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 1u73_1_A DATA FIRST_RESID 1 DATA SEQUENCE SLWQFGKMIN YVMXGESGVL QYLSYGcYcG LGGQGQPTDA TDRccFVHDc DATA SEQUENCE cYGXXXKVTG cXXXXXDPKI DSYTYSKKNG DVVcGGDDXP cKKQIcEcDR DATA SEQUENCE VATTcFRDNK DTYDIKYWFY GAKXNcQEKS EPc VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.684 174.600 0.140 0.000 1.055 1 S CA 0.000 58.219 58.200 0.033 0.000 1.107 1 S CB 0.000 63.268 63.200 0.114 0.000 0.593 2 L N -0.112 121.172 121.223 0.103 0.000 2.265 2 L HA -0.030 4.310 4.340 -0.001 0.000 0.215 2 L C 1.949 178.870 176.870 0.085 0.000 1.117 2 L CA 1.517 56.438 54.840 0.135 0.000 0.782 2 L CB -0.478 41.564 42.059 -0.029 0.000 0.914 2 L HN 0.764 nan 8.230 nan 0.000 0.441 3 W N 0.180 121.571 121.300 0.151 0.000 2.363 3 W HA -0.172 4.487 4.660 -0.001 0.000 0.296 3 W C 2.673 179.272 176.519 0.133 0.000 1.212 3 W CA 0.554 57.969 57.345 0.117 0.000 1.260 3 W CB -0.174 29.327 29.460 0.069 0.000 1.131 3 W HN 0.169 nan 8.180 nan 0.000 0.530 4 Q N -1.064 118.930 119.800 0.324 0.000 2.137 4 Q HA -0.143 4.196 4.340 -0.001 0.000 0.198 4 Q C 2.091 178.272 176.000 0.302 0.000 0.960 4 Q CA 0.980 56.943 55.803 0.266 0.000 0.847 4 Q CB -0.581 28.165 28.738 0.014 0.000 0.915 4 Q HN 0.221 nan 8.270 nan 0.000 0.448 5 F N 1.273 121.319 119.950 0.161 0.000 2.161 5 F HA -0.085 4.442 4.527 -0.000 0.000 0.300 5 F C 1.968 177.842 175.800 0.124 0.000 1.089 5 F CA 1.610 59.700 58.000 0.151 0.000 1.282 5 F CB -0.737 38.374 39.000 0.186 0.000 1.010 5 F HN 0.009 nan 8.300 nan 0.000 0.485 6 G N -0.051 108.827 108.800 0.129 0.000 2.402 6 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.216 6 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.216 6 G C 1.867 176.818 174.900 0.084 0.000 1.162 6 G CA 0.625 45.742 45.100 0.030 0.000 0.777 6 G HN 0.314 nan 8.290 nan 0.000 0.539 7 K N -0.599 119.909 120.400 0.180 0.000 2.057 7 K HA 0.041 4.360 4.320 -0.001 0.000 0.207 7 K C 2.486 179.213 176.600 0.211 0.000 1.049 7 K CA 1.125 57.541 56.287 0.214 0.000 0.931 7 K CB -0.233 32.443 32.500 0.293 0.000 0.714 7 K HN 0.302 nan 8.250 nan 0.000 0.440 8 M N 0.798 120.493 119.600 0.158 0.000 2.117 8 M HA -0.177 4.303 4.480 -0.001 0.000 0.262 8 M C 1.909 178.271 176.300 0.103 0.000 1.065 8 M CA 1.575 56.945 55.300 0.118 0.000 1.114 8 M CB -0.024 32.586 32.600 0.017 0.000 1.361 8 M HN 0.108 nan 8.290 nan 0.000 0.408 9 I N -0.027 120.535 120.570 -0.014 0.000 2.202 9 I HA -0.323 3.847 4.170 -0.001 0.000 0.242 9 I C 1.836 177.957 176.117 0.007 0.000 1.091 9 I CA 1.499 62.758 61.300 -0.069 0.000 1.368 9 I CB -0.663 37.211 38.000 -0.210 0.000 1.058 9 I HN 0.419 nan 8.210 nan 0.000 0.410 10 N N -0.250 118.485 118.700 0.059 0.000 2.223 10 N HA -0.254 4.486 4.740 -0.001 0.000 0.185 10 N C 1.912 177.494 175.510 0.120 0.000 1.016 10 N CA 1.040 54.142 53.050 0.087 0.000 0.863 10 N CB -0.079 38.477 38.487 0.115 0.000 0.983 10 N HN 0.312 nan 8.380 nan 0.000 0.429 11 Y N 1.052 121.382 120.300 0.050 0.000 2.286 11 Y HA -0.031 4.519 4.550 -0.001 0.000 0.293 11 Y C 1.967 177.888 175.900 0.036 0.000 1.124 11 Y CA 0.831 58.967 58.100 0.059 0.000 1.178 11 Y CB -0.159 38.362 38.460 0.102 0.000 1.010 11 Y HN -0.193 nan 8.280 nan 0.000 0.536 12 V N 0.076 119.961 119.914 -0.048 0.000 2.599 12 V HA -0.099 4.020 4.120 -0.001 0.000 0.245 12 V C 1.070 177.088 176.094 -0.127 0.000 1.046 12 V CA 0.867 63.086 62.300 -0.135 0.000 1.065 12 V CB -0.324 31.485 31.823 -0.024 0.000 0.703 12 V HN 0.176 nan 8.190 nan 0.000 0.464 16 E N 0.156 120.367 120.200 0.018 0.000 2.171 16 E HA -0.164 4.186 4.350 -0.001 0.000 0.197 16 E C 2.514 179.138 176.600 0.039 0.000 0.997 16 E CA 1.821 58.245 56.400 0.039 0.000 0.810 16 E CB -0.024 29.700 29.700 0.039 0.000 0.738 16 E HN 0.535 nan 8.360 nan 0.000 0.467 17 S N -1.333 114.376 115.700 0.015 0.000 2.593 17 S HA 0.089 4.559 4.470 -0.001 0.000 0.217 17 S C 1.927 176.539 174.600 0.020 0.000 0.966 17 S CA 0.460 58.668 58.200 0.014 0.000 0.914 17 S CB 0.185 63.364 63.200 -0.034 0.000 0.776 17 S HN 0.212 nan 8.310 nan 0.000 0.523 18 G N 2.154 110.974 108.800 0.034 0.000 2.446 18 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.217 18 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.217 18 G C 1.346 176.320 174.900 0.124 0.000 1.168 18 G CA 1.046 46.199 45.100 0.089 0.000 0.771 18 G HN 0.446 nan 8.290 nan 0.000 0.551 19 V N 0.689 120.654 119.914 0.085 0.000 2.282 19 V HA -0.182 3.938 4.120 -0.001 0.000 0.249 19 V C 2.732 178.915 176.094 0.149 0.000 1.057 19 V CA 1.878 64.228 62.300 0.083 0.000 1.032 19 V CB -0.480 31.394 31.823 0.086 0.000 0.645 19 V HN 0.363 nan 8.190 nan 0.000 0.447 20 L N -0.412 120.934 121.223 0.205 0.000 2.083 20 L HA -0.187 4.153 4.340 -0.001 0.000 0.209 20 L C 2.396 179.578 176.870 0.519 0.000 1.083 20 L CA 1.984 57.050 54.840 0.377 0.000 0.752 20 L CB -0.698 41.592 42.059 0.386 0.000 0.899 20 L HN 0.352 nan 8.230 nan 0.000 0.433 21 Q N -2.109 117.819 119.800 0.214 0.000 2.172 21 Q HA -0.178 4.162 4.340 -0.001 0.000 0.200 21 Q C 1.276 177.143 176.000 -0.222 0.000 0.964 21 Q CA 1.657 57.413 55.803 -0.079 0.000 0.855 21 Q CB 0.057 28.531 28.738 -0.439 0.000 0.918 21 Q HN 0.651 nan 8.270 nan 0.000 0.444 22 Y N -2.055 118.220 120.300 -0.042 0.000 2.430 22 Y HA 0.099 4.649 4.550 -0.001 0.000 0.248 22 Y C 0.965 176.784 175.900 -0.134 0.000 1.108 22 Y CA -0.163 57.787 58.100 -0.250 0.000 1.264 22 Y CB 0.820 38.837 38.460 -0.738 0.000 1.172 22 Y HN 0.031 nan 8.280 nan 0.000 0.520 23 L N -0.871 120.386 121.223 0.057 0.000 2.599 23 L HA 0.123 4.462 4.340 -0.001 0.000 0.230 23 L C 0.562 177.383 176.870 -0.081 0.000 1.141 23 L CA 0.719 55.569 54.840 0.017 0.000 0.877 23 L CB 0.098 42.168 42.059 0.018 0.000 1.009 23 L HN -0.053 nan 8.230 nan 0.000 0.447 24 S N -0.568 115.027 115.700 -0.176 0.000 2.385 24 S HA 0.401 4.871 4.470 -0.001 0.000 0.191 24 S C -1.540 172.964 174.600 -0.161 0.000 1.196 24 S CA -0.414 57.523 58.200 -0.439 0.000 1.178 24 S CB -0.007 62.332 63.200 -1.435 0.000 1.258 24 S HN 0.120 nan 8.310 nan 0.000 0.430 25 Y N 2.789 123.024 120.300 -0.109 0.000 2.479 25 Y HA 0.543 5.092 4.550 -0.001 0.000 0.338 25 Y C 0.436 176.335 175.900 -0.002 0.000 1.055 25 Y CA 0.581 58.669 58.100 -0.021 0.000 1.023 25 Y CB 1.258 39.679 38.460 -0.065 0.000 1.287 25 Y HN 0.904 nan 8.280 nan 0.000 0.447 26 G N 2.373 110.989 108.800 -0.307 0.000 2.574 26 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.282 26 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.282 26 G C 0.711 175.639 174.900 0.046 0.000 1.257 26 G CA 0.214 45.164 45.100 -0.249 0.000 0.956 26 G HN 1.028 nan 8.290 nan 0.000 0.560 27 c N -1.339 117.300 118.600 0.065 0.000 2.735 27 c HA 0.438 5.007 4.570 -0.001 0.000 0.271 27 c C 1.890 175.832 174.090 -0.247 0.000 1.281 27 c CA 1.256 57.573 56.329 -0.020 0.000 1.719 27 c CB -1.006 41.509 42.510 0.008 0.000 2.024 27 c HN 0.498 nan 8.230 nan 0.000 0.566 28 Y N -1.580 118.793 120.300 0.121 0.000 2.423 28 Y HA 0.263 4.812 4.550 -0.001 0.000 0.257 28 Y C 1.443 177.445 175.900 0.169 0.000 1.087 28 Y CA -0.460 57.735 58.100 0.159 0.000 1.258 28 Y CB -0.288 38.308 38.460 0.228 0.000 1.237 28 Y HN 0.051 nan 8.280 nan 0.000 0.517 29 c N 2.246 121.030 118.600 0.307 0.000 2.663 29 c HA 0.527 5.096 4.570 -0.001 0.000 0.398 29 c C 1.317 175.503 174.090 0.161 0.000 1.356 29 c CA 1.094 57.590 56.329 0.277 0.000 1.629 29 c CB -1.221 41.465 42.510 0.294 0.000 2.402 29 c HN 0.864 nan 8.230 nan 0.000 0.598 30 G N 3.198 112.101 108.800 0.173 0.000 2.152 30 G HA2 0.230 4.189 3.960 -0.001 0.000 0.058 30 G HA3 0.230 4.189 3.960 -0.001 0.000 0.058 30 G C -1.546 173.438 174.900 0.141 0.000 0.966 30 G CA -0.211 44.954 45.100 0.109 0.000 1.149 30 G HN 0.658 nan 8.290 nan 0.000 0.402 31 L N 1.196 122.475 121.223 0.093 0.000 2.611 31 L HA 0.581 4.921 4.340 -0.001 0.000 0.260 31 L C 0.463 177.370 176.870 0.061 0.000 0.924 31 L CA 1.082 55.977 54.840 0.092 0.000 0.901 31 L CB 0.986 43.110 42.059 0.109 0.000 1.369 31 L HN 2.661 nan 8.230 nan 0.000 0.415 32 G N 3.219 112.061 108.800 0.070 0.000 2.417 32 G HA2 -0.095 3.865 3.960 -0.001 0.000 0.291 32 G HA3 -0.095 3.865 3.960 -0.001 0.000 0.291 32 G C 0.308 175.194 174.900 -0.023 0.000 1.094 32 G CA 0.250 45.378 45.100 0.047 0.000 1.146 32 G HN 1.206 nan 8.290 nan 0.000 0.519 33 G N -0.593 108.160 108.800 -0.078 0.000 2.543 33 G HA2 0.897 4.856 3.960 -0.001 0.000 0.290 33 G HA3 0.897 4.856 3.960 -0.001 0.000 0.290 33 G C -0.061 174.530 174.900 -0.515 0.000 1.310 33 G CA 0.229 45.042 45.100 -0.478 0.000 1.025 33 G HN 1.527 nan 8.290 nan 0.000 0.502 34 Q N -2.552 116.797 119.800 -0.752 0.000 2.633 34 Q HA 0.578 4.917 4.340 -0.001 0.000 0.289 34 Q C -0.031 175.890 176.000 -0.130 0.000 0.940 34 Q CA -0.493 55.172 55.803 -0.230 0.000 0.785 34 Q CB 1.233 29.919 28.738 -0.086 0.000 1.467 34 Q HN 2.163 nan 8.270 nan 0.000 0.401 35 G N 0.693 109.561 108.800 0.114 0.000 2.527 35 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.227 35 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.227 35 G C -1.165 173.858 174.900 0.205 0.000 1.291 35 G CA -0.329 44.841 45.100 0.116 0.000 0.904 35 G HN 0.630 nan 8.290 nan 0.000 0.577 36 Q N 0.839 120.705 119.800 0.111 0.000 2.271 36 Q HA 0.499 4.839 4.340 -0.001 0.000 0.258 36 Q C -2.353 173.661 176.000 0.022 0.000 0.936 36 Q CA -1.591 54.215 55.803 0.006 0.000 0.909 36 Q CB 1.494 30.206 28.738 -0.042 0.000 1.253 36 Q HN 0.334 nan 8.270 nan 0.000 0.440 37 P HA -0.051 nan 4.420 nan 0.000 0.265 37 P C 0.826 178.031 177.300 -0.157 0.000 1.193 37 P CA 0.410 63.452 63.100 -0.097 0.000 0.765 37 P CB 0.640 32.171 31.700 -0.282 0.000 0.823 38 T N -0.870 113.530 114.554 -0.257 0.000 2.812 38 T HA -0.031 4.318 4.350 -0.001 0.000 0.264 38 T C 0.479 174.884 174.700 -0.491 0.000 1.042 38 T CA 1.163 62.924 62.100 -0.565 0.000 1.140 38 T CB -0.423 67.660 68.868 -1.309 0.000 0.870 38 T HN 0.544 nan 8.240 nan 0.000 0.445 39 D N -0.791 119.424 120.400 -0.309 0.000 2.946 39 D HA 0.595 5.234 4.640 -0.001 0.000 0.337 39 D C 1.298 177.588 176.300 -0.017 0.000 1.332 39 D CA -0.169 53.754 54.000 -0.128 0.000 0.935 39 D CB 0.760 41.520 40.800 -0.067 0.000 1.440 39 D HN 0.076 nan 8.370 nan 0.000 0.540 40 A N -0.224 122.618 122.820 0.036 0.000 1.883 40 A HA -0.113 4.206 4.320 -0.001 0.000 0.217 40 A C 2.003 179.656 177.584 0.114 0.000 1.186 40 A CA 2.847 54.923 52.037 0.065 0.000 0.624 40 A CB -1.535 17.508 19.000 0.071 0.000 0.822 40 A HN 0.611 nan 8.150 nan 0.000 0.444 41 T N -0.316 114.323 114.554 0.142 0.000 2.720 41 T HA -0.163 4.187 4.350 -0.001 0.000 0.268 41 T C 1.717 176.567 174.700 0.250 0.000 1.037 41 T CA 1.759 63.972 62.100 0.189 0.000 1.144 41 T CB -0.428 68.419 68.868 -0.036 0.000 0.864 41 T HN 0.585 nan 8.240 nan 0.000 0.444 42 D N 0.531 121.076 120.400 0.241 0.000 2.178 42 D HA -0.032 4.608 4.640 -0.001 0.000 0.202 42 D C 2.325 178.756 176.300 0.219 0.000 0.974 42 D CA 0.849 55.012 54.000 0.271 0.000 0.841 42 D CB -0.092 40.793 40.800 0.141 0.000 0.953 42 D HN 0.215 nan 8.370 nan 0.000 0.478 43 R N -0.788 119.794 120.500 0.135 0.000 2.120 43 R HA -0.061 4.278 4.340 -0.001 0.000 0.234 43 R C 2.436 178.836 176.300 0.167 0.000 1.123 43 R CA 1.062 57.235 56.100 0.121 0.000 0.975 43 R CB -0.309 30.028 30.300 0.061 0.000 0.866 43 R HN 0.288 nan 8.270 nan 0.000 0.446 44 c N -0.785 117.916 118.600 0.168 0.000 2.429 44 c HA -0.136 4.434 4.570 -0.001 0.000 0.277 44 c C 2.713 176.876 174.090 0.122 0.000 1.262 44 c CA 0.325 56.715 56.329 0.101 0.000 1.733 44 c CB -0.712 41.858 42.510 0.101 0.000 2.010 44 c HN 0.634 nan 8.230 nan 0.000 0.483 45 c N -0.248 118.517 118.600 0.275 0.000 2.446 45 c HA -0.035 4.535 4.570 -0.001 0.000 0.279 45 c C 2.383 176.624 174.090 0.252 0.000 1.366 45 c CA 0.384 56.898 56.329 0.308 0.000 1.763 45 c CB -1.631 41.133 42.510 0.424 0.000 1.929 45 c HN 0.673 nan 8.230 nan 0.000 0.509 46 F N 1.787 121.733 119.950 -0.005 0.000 2.113 46 F HA -0.095 4.431 4.527 -0.000 0.000 0.297 46 F C 2.179 177.881 175.800 -0.163 0.000 1.103 46 F CA 1.585 59.404 58.000 -0.301 0.000 1.248 46 F CB -0.608 38.084 39.000 -0.513 0.000 0.999 46 F HN 0.029 nan 8.300 nan 0.000 0.475 47 V N 0.554 120.356 119.914 -0.187 0.000 2.407 47 V HA -0.316 3.803 4.120 -0.001 0.000 0.248 47 V C 2.619 178.578 176.094 -0.225 0.000 1.055 47 V CA 2.250 64.395 62.300 -0.259 0.000 1.049 47 V CB -1.092 30.674 31.823 -0.095 0.000 0.662 47 V HN 0.531 nan 8.190 nan 0.000 0.455 48 H N 0.088 119.018 119.070 -0.234 0.000 2.321 48 H HA -0.220 4.336 4.556 -0.001 0.000 0.300 48 H C 2.251 177.355 175.328 -0.373 0.000 1.087 48 H CA 2.311 58.178 56.048 -0.301 0.000 1.319 48 H CB 0.003 29.587 29.762 -0.297 0.000 1.379 48 H HN 0.530 nan 8.280 nan 0.000 0.501 49 D N -0.138 120.109 120.400 -0.255 0.000 2.117 49 D HA -0.133 4.507 4.640 -0.001 0.000 0.197 49 D C 2.449 178.602 176.300 -0.245 0.000 0.987 49 D CA 1.514 55.375 54.000 -0.231 0.000 0.829 49 D CB -0.381 40.439 40.800 0.033 0.000 0.961 49 D HN 0.348 nan 8.370 nan 0.000 0.460 50 c N -0.450 117.931 118.600 -0.364 0.000 2.422 50 c HA -0.089 4.481 4.570 -0.001 0.000 0.279 50 c C 3.059 177.022 174.090 -0.212 0.000 1.305 50 c CA 0.435 56.562 56.329 -0.337 0.000 1.757 50 c CB -1.233 40.967 42.510 -0.517 0.000 1.962 50 c HN 0.608 nan 8.230 nan 0.000 0.499 51 c N -0.373 118.095 118.600 -0.220 0.000 2.453 51 c HA -0.098 4.472 4.570 -0.001 0.000 0.277 51 c C 2.588 176.653 174.090 -0.042 0.000 1.262 51 c CA 0.897 57.139 56.329 -0.144 0.000 1.718 51 c CB -1.454 40.950 42.510 -0.176 0.000 2.031 51 c HN 0.645 nan 8.230 nan 0.000 0.480 52 Y N 1.565 121.675 120.300 -0.316 0.000 2.256 52 Y HA 0.094 4.643 4.550 -0.000 0.000 0.288 52 Y C 2.041 177.848 175.900 -0.155 0.000 1.155 52 Y CA 0.688 58.638 58.100 -0.250 0.000 1.203 52 Y CB -1.451 36.849 38.460 -0.267 0.000 0.980 52 Y HN 0.432 nan 8.280 nan 0.000 0.530 58 V N 3.740 123.611 119.914 -0.073 0.000 2.427 58 V HA 0.134 4.254 4.120 -0.001 0.000 0.268 58 V C 1.383 177.435 176.094 -0.071 0.000 1.046 58 V CA 0.870 63.116 62.300 -0.090 0.000 0.970 58 V CB 0.817 32.547 31.823 -0.155 0.000 1.001 58 V HN 0.457 nan 8.190 nan 0.000 0.476 59 T N 0.159 114.681 114.554 -0.054 0.000 2.975 59 T HA 0.139 4.489 4.350 -0.001 0.000 0.261 59 T C 1.486 176.165 174.700 -0.035 0.000 0.984 59 T CA 0.606 62.681 62.100 -0.040 0.000 0.911 59 T CB 0.488 69.338 68.868 -0.030 0.000 1.127 59 T HN 0.626 nan 8.240 nan 0.000 0.514 60 G N 1.176 109.954 108.800 -0.037 0.000 3.042 60 G HA2 0.420 4.380 3.960 -0.001 0.000 0.212 60 G HA3 0.420 4.380 3.960 -0.001 0.000 0.212 60 G C 0.550 175.433 174.900 -0.028 0.000 1.166 60 G CA 0.457 45.541 45.100 -0.028 0.000 0.767 60 G HN 0.935 nan 8.290 nan 0.000 0.546 68 P HA -0.118 nan 4.420 nan 0.000 0.225 68 P C 1.163 178.202 177.300 -0.436 0.000 1.148 68 P CA 0.656 63.416 63.100 -0.567 0.000 0.779 68 P CB 0.673 31.653 31.700 -1.200 0.000 0.780 69 K N 0.729 121.018 120.400 -0.185 0.000 2.098 69 K HA -0.011 4.308 4.320 -0.001 0.000 0.203 69 K C 2.065 178.675 176.600 0.017 0.000 1.051 69 K CA 1.117 57.406 56.287 0.003 0.000 0.957 69 K CB -0.124 32.406 32.500 0.050 0.000 0.738 69 K HN 0.190 nan 8.250 nan 0.000 0.447 70 I N -2.752 117.827 120.570 0.014 0.000 4.227 70 I HA 0.271 4.440 4.170 -0.001 0.000 0.334 70 I C -0.652 175.502 176.117 0.062 0.000 1.341 70 I CA -0.624 60.717 61.300 0.069 0.000 1.123 70 I CB 0.313 38.364 38.000 0.085 0.000 1.097 70 I HN -0.216 nan 8.210 nan 0.000 0.399 71 D N 3.062 123.471 120.400 0.015 0.000 2.350 71 D HA 0.296 4.936 4.640 -0.001 0.000 0.249 71 D C -0.167 176.127 176.300 -0.010 0.000 1.119 71 D CA 0.391 54.398 54.000 0.012 0.000 0.886 71 D CB 1.778 42.581 40.800 0.004 0.000 1.195 71 D HN 0.098 nan 8.370 nan 0.000 0.437 72 S N 1.405 117.092 115.700 -0.022 0.000 2.554 72 S HA 0.440 4.909 4.470 -0.001 0.000 0.278 72 S C -0.308 174.263 174.600 -0.049 0.000 1.242 72 S CA -0.676 57.454 58.200 -0.117 0.000 1.051 72 S CB 0.495 63.659 63.200 -0.061 0.000 0.986 72 S HN 0.356 nan 8.310 nan 0.000 0.502 73 Y N -0.616 119.754 120.300 0.116 0.000 2.753 73 Y HA 0.801 5.351 4.550 -0.001 0.000 0.324 73 Y C -0.078 175.911 175.900 0.149 0.000 1.147 73 Y CA -1.508 56.654 58.100 0.105 0.000 1.173 73 Y CB -0.152 38.361 38.460 0.088 0.000 1.361 73 Y HN 0.363 nan 8.280 nan 0.000 0.545 74 T N 1.979 116.803 114.554 0.449 0.000 2.797 74 T HA 0.572 4.921 4.350 -0.001 0.000 0.279 74 T C -1.544 173.399 174.700 0.405 0.000 0.991 74 T CA -0.510 61.767 62.100 0.295 0.000 0.979 74 T CB 0.396 69.347 68.868 0.140 0.000 0.943 74 T HN 0.734 nan 8.240 nan 0.000 0.444 75 Y N -0.465 119.945 120.300 0.183 0.000 2.656 75 Y HA 0.777 5.326 4.550 -0.001 0.000 0.334 75 Y C -1.100 174.840 175.900 0.066 0.000 1.179 75 Y CA -1.135 57.044 58.100 0.132 0.000 1.050 75 Y CB 0.841 39.426 38.460 0.209 0.000 1.308 75 Y HN 0.515 nan 8.280 nan 0.000 0.456 76 S N 0.741 116.525 115.700 0.140 0.000 2.632 76 S HA 0.679 5.148 4.470 -0.001 0.000 0.289 76 S C -1.543 173.100 174.600 0.072 0.000 1.115 76 S CA -1.241 56.949 58.200 -0.018 0.000 0.889 76 S CB 1.860 65.057 63.200 -0.006 0.000 1.116 76 S HN 0.556 nan 8.310 nan 0.000 0.486 77 K N 1.244 121.584 120.400 -0.100 0.000 2.270 77 K HA 0.657 4.976 4.320 -0.001 0.000 0.255 77 K C -0.950 175.605 176.600 -0.075 0.000 0.936 77 K CA -0.721 55.417 56.287 -0.249 0.000 0.809 77 K CB 1.703 33.658 32.500 -0.908 0.000 1.131 77 K HN 0.417 nan 8.250 nan 0.000 0.427 78 K N 2.309 122.794 120.400 0.141 0.000 2.582 78 K HA 0.113 4.433 4.320 -0.001 0.000 0.259 78 K C -1.274 175.455 176.600 0.216 0.000 0.973 78 K CA -0.381 56.003 56.287 0.162 0.000 0.880 78 K CB 0.750 33.301 32.500 0.085 0.000 1.310 78 K HN 0.837 nan 8.250 nan 0.000 0.443 79 N N 2.794 121.613 118.700 0.199 0.000 2.725 79 N HA -0.266 4.474 4.740 -0.001 0.000 0.251 79 N C 0.518 176.082 175.510 0.090 0.000 1.031 79 N CA 0.678 53.801 53.050 0.121 0.000 0.720 79 N CB -0.792 37.740 38.487 0.076 0.000 0.930 79 N HN 1.084 nan 8.380 nan 0.000 0.543 80 G N -1.230 107.616 108.800 0.078 0.000 2.267 80 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.257 80 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.257 80 G C -0.052 174.836 174.900 -0.020 0.000 0.998 80 G CA 0.861 45.855 45.100 -0.178 0.000 0.620 80 G HN 0.526 nan 8.290 nan 0.000 0.529 81 D N -0.616 119.897 120.400 0.187 0.000 2.440 81 D HA 0.690 5.329 4.640 -0.001 0.000 0.258 81 D C 0.104 176.590 176.300 0.311 0.000 1.092 81 D CA -0.254 53.859 54.000 0.189 0.000 1.016 81 D CB 1.969 42.834 40.800 0.107 0.000 1.141 81 D HN 0.148 nan 8.370 nan 0.000 0.552 82 V N 0.653 120.691 119.914 0.207 0.000 2.769 82 V HA 0.453 4.573 4.120 -0.001 0.000 0.312 82 V C -0.384 175.791 176.094 0.135 0.000 1.061 82 V CA -0.689 61.733 62.300 0.203 0.000 0.931 82 V CB 2.253 34.174 31.823 0.164 0.000 1.010 82 V HN 0.253 nan 8.190 nan 0.000 0.433 83 V N 2.490 122.500 119.914 0.159 0.000 2.531 83 V HA 0.367 4.486 4.120 -0.001 0.000 0.301 83 V C -0.241 175.932 176.094 0.131 0.000 1.034 83 V CA -0.656 61.708 62.300 0.106 0.000 0.865 83 V CB 1.765 33.636 31.823 0.081 0.000 0.995 83 V HN 0.971 nan 8.190 nan 0.000 0.424 84 c N 4.231 122.871 118.600 0.066 0.000 2.527 84 c HA 0.767 5.336 4.570 -0.001 0.000 0.396 84 c C 1.238 175.364 174.090 0.060 0.000 1.289 84 c CA 0.261 56.623 56.329 0.055 0.000 2.047 84 c CB -0.126 42.353 42.510 -0.051 0.000 2.568 84 c HN 1.126 nan 8.230 nan 0.000 0.573 85 G N 1.008 109.863 108.800 0.091 0.000 3.212 85 G HA2 0.818 4.778 3.960 -0.001 0.000 0.188 85 G HA3 0.818 4.778 3.960 -0.001 0.000 0.188 85 G C -0.043 174.895 174.900 0.063 0.000 1.254 85 G CA 0.206 45.344 45.100 0.064 0.000 0.957 85 G HN 1.606 nan 8.290 nan 0.000 0.596 86 G N -0.588 108.242 108.800 0.051 0.000 2.760 86 G HA2 0.194 4.153 3.960 -0.001 0.000 0.246 86 G HA3 0.194 4.153 3.960 -0.001 0.000 0.246 86 G C 0.016 174.935 174.900 0.030 0.000 1.359 86 G CA 0.995 46.123 45.100 0.048 0.000 0.861 86 G HN 1.665 nan 8.290 nan 0.000 0.541 87 D N -1.397 119.019 120.400 0.027 0.000 2.538 87 D HA 0.237 4.877 4.640 -0.001 0.000 0.241 87 D C 0.271 176.580 176.300 0.014 0.000 1.297 87 D CA 0.541 54.551 54.000 0.016 0.000 0.804 87 D CB 0.517 41.324 40.800 0.012 0.000 1.122 87 D HN 0.544 nan 8.370 nan 0.000 0.519 91 c N 1.174 119.765 118.600 -0.015 0.000 2.432 91 c HA -0.036 4.534 4.570 -0.001 0.000 0.277 91 c C 2.231 176.309 174.090 -0.021 0.000 1.249 91 c CA 1.464 57.778 56.329 -0.025 0.000 1.725 91 c CB -0.597 41.899 42.510 -0.022 0.000 2.028 91 c HN 0.243 nan 8.230 nan 0.000 0.477 92 K N 0.386 120.793 120.400 0.013 0.000 2.148 92 K HA -0.111 4.209 4.320 -0.001 0.000 0.204 92 K C 2.039 178.656 176.600 0.029 0.000 1.050 92 K CA 1.193 57.518 56.287 0.063 0.000 0.942 92 K CB -0.233 32.334 32.500 0.111 0.000 0.724 92 K HN 0.568 nan 8.250 nan 0.000 0.446 93 K N 1.120 121.515 120.400 -0.007 0.000 2.148 93 K HA -0.189 4.130 4.320 -0.001 0.000 0.204 93 K C 2.248 178.782 176.600 -0.110 0.000 1.050 93 K CA 1.106 57.360 56.287 -0.055 0.000 0.942 93 K CB -0.004 32.477 32.500 -0.031 0.000 0.724 93 K HN 0.208 nan 8.250 nan 0.000 0.446 94 Q N 1.141 120.887 119.800 -0.089 0.000 2.172 94 Q HA -0.102 4.238 4.340 -0.001 0.000 0.200 94 Q C 1.958 177.872 176.000 -0.144 0.000 0.964 94 Q CA 0.990 56.730 55.803 -0.104 0.000 0.855 94 Q CB 0.085 28.773 28.738 -0.082 0.000 0.918 94 Q HN 0.307 nan 8.270 nan 0.000 0.444 95 I N 0.117 120.597 120.570 -0.151 0.000 2.163 95 I HA -0.316 3.853 4.170 -0.001 0.000 0.240 95 I C 2.729 178.670 176.117 -0.294 0.000 1.081 95 I CA 0.788 61.978 61.300 -0.184 0.000 1.353 95 I CB -0.573 37.401 38.000 -0.045 0.000 1.054 95 I HN 0.433 nan 8.210 nan 0.000 0.407 96 c N 1.181 119.410 118.600 -0.618 0.000 2.401 96 c HA -0.220 4.349 4.570 -0.001 0.000 0.276 96 c C 2.804 176.610 174.090 -0.474 0.000 1.233 96 c CA 1.722 57.394 56.329 -1.095 0.000 1.753 96 c CB -0.850 41.019 42.510 -1.068 0.000 2.029 96 c HN 0.475 nan 8.230 nan 0.000 0.478 97 E N -0.215 119.815 120.200 -0.283 0.000 2.106 97 E HA -0.121 4.229 4.350 -0.001 0.000 0.192 97 E C 2.180 178.701 176.600 -0.131 0.000 0.984 97 E CA 1.631 57.929 56.400 -0.169 0.000 0.806 97 E CB -0.637 28.989 29.700 -0.124 0.000 0.750 97 E HN 0.758 nan 8.360 nan 0.000 0.458 98 c N 0.903 119.429 118.600 -0.123 0.000 2.429 98 c HA -0.116 4.453 4.570 -0.001 0.000 0.277 98 c C 2.072 176.153 174.090 -0.014 0.000 1.262 98 c CA 0.977 57.260 56.329 -0.078 0.000 1.733 98 c CB -0.834 41.649 42.510 -0.046 0.000 2.010 98 c HN 0.475 nan 8.230 nan 0.000 0.483 99 D N 0.005 120.378 120.400 -0.045 0.000 2.117 99 D HA -0.100 4.540 4.640 -0.001 0.000 0.198 99 D C 2.318 178.639 176.300 0.034 0.000 0.982 99 D CA 0.826 54.790 54.000 -0.060 0.000 0.828 99 D CB -0.541 40.268 40.800 0.015 0.000 0.967 99 D HN 0.466 nan 8.370 nan 0.000 0.464 100 R N 0.774 121.239 120.500 -0.057 0.000 2.081 100 R HA -0.098 4.242 4.340 -0.001 0.000 0.235 100 R C 2.091 178.352 176.300 -0.065 0.000 1.131 100 R CA 0.921 56.989 56.100 -0.053 0.000 0.960 100 R CB -0.211 30.041 30.300 -0.080 0.000 0.856 100 R HN 0.023 nan 8.270 nan 0.000 0.436 101 V N 1.074 120.940 119.914 -0.080 0.000 2.343 101 V HA -0.223 3.897 4.120 -0.001 0.000 0.247 101 V C 2.517 178.511 176.094 -0.167 0.000 1.051 101 V CA 1.889 64.129 62.300 -0.099 0.000 1.036 101 V CB -0.757 31.014 31.823 -0.086 0.000 0.654 101 V HN 0.520 nan 8.190 nan 0.000 0.451 102 A N -0.272 122.433 122.820 -0.191 0.000 1.940 102 A HA -0.238 4.081 4.320 -0.001 0.000 0.219 102 A C 2.398 179.494 177.584 -0.813 0.000 1.176 102 A CA 2.560 54.327 52.037 -0.450 0.000 0.631 102 A CB -0.953 17.828 19.000 -0.365 0.000 0.814 102 A HN 0.509 nan 8.150 nan 0.000 0.446 103 T N 0.101 114.419 114.554 -0.395 0.000 2.777 103 T HA -0.140 4.209 4.350 -0.001 0.000 0.266 103 T C 2.200 176.770 174.700 -0.216 0.000 1.040 103 T CA 2.200 64.126 62.100 -0.289 0.000 1.141 103 T CB -0.665 68.174 68.868 -0.049 0.000 0.868 103 T HN 0.835 nan 8.240 nan 0.000 0.444 104 T N -0.488 113.971 114.554 -0.159 0.000 2.867 104 T HA -0.104 4.246 4.350 -0.001 0.000 0.268 104 T C 2.277 176.916 174.700 -0.101 0.000 1.057 104 T CA 1.057 63.099 62.100 -0.096 0.000 1.136 104 T CB -1.218 67.611 68.868 -0.065 0.000 0.874 104 T HN 0.446 nan 8.240 nan 0.000 0.466 105 c N 0.500 118.993 118.600 -0.177 0.000 2.429 105 c HA 0.055 4.625 4.570 -0.001 0.000 0.277 105 c C 2.317 176.396 174.090 -0.019 0.000 1.262 105 c CA 0.182 56.437 56.329 -0.124 0.000 1.733 105 c CB -1.997 40.402 42.510 -0.186 0.000 2.010 105 c HN 0.538 nan 8.230 nan 0.000 0.483 106 F N 1.365 121.238 119.950 -0.129 0.000 2.171 106 F HA -0.034 4.493 4.527 -0.000 0.000 0.300 106 F C 2.573 178.291 175.800 -0.136 0.000 1.090 106 F CA 1.771 59.642 58.000 -0.216 0.000 1.293 106 F CB -1.208 37.382 39.000 -0.683 0.000 1.013 106 F HN 0.297 nan 8.300 nan 0.000 0.486 107 R N 0.528 121.060 120.500 0.053 0.000 2.066 107 R HA -0.144 4.195 4.340 -0.001 0.000 0.232 107 R C 1.675 177.993 176.300 0.030 0.000 1.131 107 R CA 1.924 58.033 56.100 0.016 0.000 0.955 107 R CB -0.324 29.964 30.300 -0.019 0.000 0.851 107 R HN 0.091 nan 8.270 nan 0.000 0.432 108 D N 0.018 120.433 120.400 0.026 0.000 2.264 108 D HA -0.083 4.557 4.640 -0.001 0.000 0.208 108 D C 0.601 176.932 176.300 0.051 0.000 0.966 108 D CA 0.874 54.890 54.000 0.027 0.000 0.864 108 D CB -0.077 40.731 40.800 0.013 0.000 0.933 108 D HN 0.306 nan 8.370 nan 0.000 0.499 109 N N 0.327 119.079 118.700 0.087 0.000 2.214 109 N HA -0.013 4.727 4.740 -0.001 0.000 0.214 109 N C 1.354 176.948 175.510 0.140 0.000 1.132 109 N CA -0.061 53.054 53.050 0.110 0.000 0.856 109 N CB 0.924 39.489 38.487 0.130 0.000 1.020 109 N HN -0.034 nan 8.380 nan 0.000 0.509 110 K N 1.998 122.472 120.400 0.124 0.000 2.113 110 K HA -0.179 4.141 4.320 -0.001 0.000 0.208 110 K C 1.328 177.992 176.600 0.108 0.000 1.047 110 K CA 1.430 57.791 56.287 0.123 0.000 0.928 110 K CB -0.258 32.276 32.500 0.058 0.000 0.716 110 K HN 0.084 nan 8.250 nan 0.000 0.446 111 D N -1.466 118.982 120.400 0.081 0.000 2.309 111 D HA -0.101 4.538 4.640 -0.001 0.000 0.212 111 D C 0.793 177.148 176.300 0.091 0.000 0.968 111 D CA 1.567 55.608 54.000 0.068 0.000 0.882 111 D CB 0.120 40.948 40.800 0.048 0.000 0.918 111 D HN 0.473 nan 8.370 nan 0.000 0.503 112 T N -3.224 111.403 114.554 0.122 0.000 3.129 112 T HA 0.065 4.414 4.350 -0.001 0.000 0.267 112 T C 0.332 175.145 174.700 0.189 0.000 1.018 112 T CA -0.696 61.482 62.100 0.131 0.000 0.903 112 T CB -0.642 68.290 68.868 0.107 0.000 1.067 112 T HN 0.091 nan 8.240 nan 0.000 0.549 113 Y N 2.985 123.323 120.300 0.064 0.000 2.632 113 Y HA 0.336 4.886 4.550 -0.001 0.000 0.329 113 Y C -0.228 175.745 175.900 0.121 0.000 1.174 113 Y CA -0.517 57.619 58.100 0.060 0.000 1.469 113 Y CB 0.277 38.685 38.460 -0.087 0.000 1.242 113 Y HN 0.137 nan 8.280 nan 0.000 0.540 114 D N 6.732 127.189 120.400 0.095 0.000 2.481 114 D HA 0.086 4.726 4.640 -0.001 0.000 0.246 114 D C 0.781 177.059 176.300 -0.036 0.000 1.109 114 D CA -0.351 53.692 54.000 0.071 0.000 0.845 114 D CB 1.129 41.939 40.800 0.017 0.000 1.160 114 D HN 0.867 nan 8.370 nan 0.000 0.534 115 I N 3.999 124.622 120.570 0.087 0.000 2.800 115 I HA -0.211 3.958 4.170 -0.001 0.000 0.266 115 I C 2.217 178.365 176.117 0.052 0.000 1.249 115 I CA 1.030 62.419 61.300 0.148 0.000 1.458 115 I CB 0.107 38.192 38.000 0.142 0.000 1.093 115 I HN 0.364 nan 8.210 nan 0.000 0.466 116 K N 0.349 120.635 120.400 -0.190 0.000 2.152 116 K HA -0.225 4.095 4.320 -0.001 0.000 0.206 116 K C 1.063 177.386 176.600 -0.462 0.000 1.048 116 K CA 1.675 57.746 56.287 -0.360 0.000 0.933 116 K CB -0.181 31.941 32.500 -0.629 0.000 0.721 116 K HN 0.393 nan 8.250 nan 0.000 0.447 117 Y N -1.173 118.901 120.300 -0.377 0.000 2.468 117 Y HA 0.135 4.685 4.550 -0.001 0.000 0.268 117 Y C -0.018 175.548 175.900 -0.556 0.000 1.177 117 Y CA -1.003 56.636 58.100 -0.768 0.000 1.265 117 Y CB -0.289 37.332 38.460 -1.398 0.000 1.103 117 Y HN 0.148 nan 8.280 nan 0.000 0.522 118 W N 0.898 122.076 121.300 -0.203 0.000 2.304 118 W HA 0.295 4.954 4.660 -0.001 0.000 0.313 118 W C -0.367 176.313 176.519 0.268 0.000 1.323 118 W CA -1.247 56.164 57.345 0.111 0.000 1.223 118 W CB -0.175 29.439 29.460 0.258 0.000 1.237 118 W HN 0.165 nan 8.180 nan 0.000 0.535 119 F N 6.482 126.371 119.950 -0.101 0.000 2.943 119 F HA -0.374 4.152 4.527 -0.001 0.000 0.258 119 F C 1.026 176.806 175.800 -0.033 0.000 0.995 119 F CA 1.061 58.945 58.000 -0.192 0.000 0.896 119 F CB -2.099 36.611 39.000 -0.483 0.000 0.821 119 F HN 0.597 nan 8.300 nan 0.000 0.828 120 Y N 0.963 121.244 120.300 -0.031 0.000 2.207 120 Y HA 0.184 4.734 4.550 -0.001 0.000 0.287 120 Y C 1.641 177.529 175.900 -0.020 0.000 1.156 120 Y CA 1.657 59.743 58.100 -0.023 0.000 1.182 120 Y CB -0.311 38.128 38.460 -0.034 0.000 0.979 120 Y HN 0.578 nan 8.280 nan 0.000 0.521 121 G N -1.164 107.591 108.800 -0.074 0.000 3.409 121 G HA2 0.109 4.068 3.960 -0.001 0.000 0.686 121 G HA3 0.109 4.068 3.960 -0.001 0.000 0.686 121 G C 0.729 175.504 174.900 -0.207 0.000 1.017 121 G CA -0.207 44.794 45.100 -0.164 0.000 0.854 121 G HN 0.761 nan 8.290 nan 0.000 0.508 122 A N 3.143 125.890 122.820 -0.121 0.000 1.958 122 A HA 0.010 4.330 4.320 -0.001 0.000 0.221 122 A C 1.986 179.500 177.584 -0.116 0.000 1.178 122 A CA 2.388 54.363 52.037 -0.103 0.000 0.642 122 A CB -0.516 18.439 19.000 -0.076 0.000 0.816 122 A HN 1.639 nan 8.150 nan 0.000 0.453 126 c N 1.246 119.829 118.600 -0.028 0.000 3.038 126 c HA 0.215 4.785 4.570 -0.001 0.000 0.279 126 c C 0.948 175.029 174.090 -0.016 0.000 1.276 126 c CA -0.150 56.180 56.329 0.002 0.000 1.697 126 c CB -0.818 41.675 42.510 -0.028 0.000 2.032 126 c HN 0.351 nan 8.230 nan 0.000 0.636 127 Q N 2.837 122.623 119.800 -0.024 0.000 3.151 127 Q HA 0.082 4.421 4.340 -0.001 0.000 0.277 127 Q C 0.486 176.485 176.000 -0.003 0.000 1.343 127 Q CA 0.655 56.447 55.803 -0.018 0.000 0.925 127 Q CB -0.114 28.609 28.738 -0.025 0.000 1.771 127 Q HN 0.728 nan 8.270 nan 0.000 0.514 128 E N -0.550 119.655 120.200 0.009 0.000 2.433 128 E HA 0.334 4.684 4.350 -0.001 0.000 0.273 128 E C -0.930 175.687 176.600 0.028 0.000 0.950 128 E CA -1.255 55.154 56.400 0.016 0.000 0.796 128 E CB 0.840 30.550 29.700 0.017 0.000 1.330 128 E HN -0.160 nan 8.360 nan 0.000 0.455 129 K N 0.660 121.076 120.400 0.027 0.000 2.530 129 K HA 0.073 4.392 4.320 -0.001 0.000 0.280 129 K C -0.598 176.035 176.600 0.055 0.000 1.004 129 K CA 0.411 56.721 56.287 0.037 0.000 1.071 129 K CB 0.133 32.649 32.500 0.027 0.000 0.876 129 K HN 0.469 nan 8.250 nan 0.000 0.487 130 S N 3.139 118.892 115.700 0.089 0.000 2.580 130 S HA 0.021 4.491 4.470 -0.001 0.000 0.274 130 S C -0.219 174.442 174.600 0.102 0.000 1.329 130 S CA -0.731 57.559 58.200 0.150 0.000 1.036 130 S CB 0.851 64.198 63.200 0.245 0.000 0.919 130 S HN 0.655 nan 8.310 nan 0.000 0.515 131 E N 2.485 122.699 120.200 0.022 0.000 2.376 131 E HA 0.121 4.471 4.350 -0.001 0.000 0.266 131 E C -2.470 174.222 176.600 0.154 0.000 1.009 131 E CA -1.514 54.849 56.400 -0.062 0.000 0.902 131 E CB 0.236 29.685 29.700 -0.418 0.000 0.972 131 E HN 0.176 nan 8.360 nan 0.000 0.439 132 P HA 0.045 nan 4.420 nan 0.000 0.276 132 P C -0.562 176.888 177.300 0.251 0.000 1.230 132 P CA -0.485 62.716 63.100 0.169 0.000 0.776 132 P CB 0.672 32.424 31.700 0.087 0.000 0.888 133 c N 0.000 118.697 118.600 0.162 0.000 2.653 133 c HA 0.000 4.570 4.570 -0.001 0.000 0.325 133 c CA 0.000 56.342 56.329 0.022 0.000 1.963 133 c CB 0.000 42.419 42.510 -0.152 0.000 2.134 133 c HN 0.000 nan 8.230 nan 0.000 0.568