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 1qbz_1_B DATA FIRST_RESID 28 DATA SEQUENCE QSRTLLAGIV QQQQQLLDVV KRQQELLRLT VWGTKNLQTR VTAIEKYLKD DATA SEQUENCE QAQLNAWGXX XXXXXXAAVP WPNASLTPKW NNETWQEWER KVDFLEENIT DATA SEQUENCE ALLEEAQIQQ EKNMYELQKL NS 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 28 Q HA 0.000 nan 4.340 nan 0.000 0.214 28 Q C 0.000 175.998 176.000 -0.004 0.000 1.003 28 Q CA 0.000 55.801 55.803 -0.004 0.000 1.022 28 Q CB 0.000 28.736 28.738 -0.003 0.000 1.108 29 S N -0.079 115.619 115.700 -0.004 0.000 2.535 29 S HA 0.276 4.746 4.470 -0.000 0.000 0.214 29 S C 1.341 175.939 174.600 -0.004 0.000 0.980 29 S CA 0.218 58.417 58.200 -0.003 0.000 0.907 29 S CB 0.040 63.238 63.200 -0.003 0.000 0.790 29 S HN 0.374 nan 8.310 nan 0.000 0.510 30 R N 0.784 121.281 120.500 -0.005 0.000 2.091 30 R HA -0.104 4.236 4.340 -0.000 0.000 0.238 30 R C 1.904 178.200 176.300 -0.006 0.000 1.136 30 R CA 2.016 58.112 56.100 -0.007 0.000 0.959 30 R CB -0.586 29.709 30.300 -0.009 0.000 0.856 30 R HN 0.315 nan 8.270 nan 0.000 0.437 31 T N 1.520 116.071 114.554 -0.005 0.000 2.708 31 T HA -0.162 4.188 4.350 -0.000 0.000 0.266 31 T C 1.623 176.321 174.700 -0.003 0.000 1.037 31 T CA 1.300 63.398 62.100 -0.004 0.000 1.146 31 T CB -0.234 68.632 68.868 -0.003 0.000 0.865 31 T HN 0.144 nan 8.240 nan 0.000 0.435 32 L N 0.886 122.108 121.223 -0.002 0.000 2.046 32 L HA 0.057 4.397 4.340 -0.000 0.000 0.208 32 L C 2.135 179.004 176.870 -0.001 0.000 1.077 32 L CA 1.543 56.382 54.840 -0.001 0.000 0.747 32 L CB -0.788 41.270 42.059 -0.001 0.000 0.896 32 L HN 0.256 nan 8.230 nan 0.000 0.432 33 L N -0.685 120.537 121.223 -0.002 0.000 2.017 33 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 33 L C 2.682 179.552 176.870 -0.001 0.000 1.073 33 L CA 1.256 56.096 54.840 -0.001 0.000 0.745 33 L CB -0.896 41.161 42.059 -0.002 0.000 0.894 33 L HN 0.388 nan 8.230 nan 0.000 0.432 34 A N 0.175 122.993 122.820 -0.002 0.000 1.908 34 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 34 A C 2.347 179.931 177.584 -0.000 0.000 1.181 34 A CA 1.953 53.989 52.037 -0.002 0.000 0.627 34 A CB -1.246 17.751 19.000 -0.004 0.000 0.818 34 A HN 0.474 nan 8.150 nan 0.000 0.445 35 G N -0.565 108.234 108.800 -0.001 0.000 2.448 35 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.218 35 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.218 35 G C 1.487 176.387 174.900 0.001 0.000 1.135 35 G CA 0.890 45.990 45.100 0.000 0.000 0.784 35 G HN 0.479 nan 8.290 nan 0.000 0.543 36 I N 0.392 120.963 120.570 0.001 0.000 2.202 36 I HA -0.130 4.040 4.170 -0.000 0.000 0.242 36 I C 2.717 178.836 176.117 0.003 0.000 1.091 36 I CA 0.473 61.775 61.300 0.002 0.000 1.368 36 I CB -0.197 37.805 38.000 0.002 0.000 1.058 36 I HN -0.002 nan 8.210 nan 0.000 0.410 37 V N 0.529 120.446 119.914 0.004 0.000 2.407 37 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 37 V C 2.455 178.552 176.094 0.005 0.000 1.055 37 V CA 1.933 64.236 62.300 0.006 0.000 1.049 37 V CB -0.637 31.191 31.823 0.008 0.000 0.662 37 V HN 0.443 nan 8.190 nan 0.000 0.455 38 Q N 0.413 120.215 119.800 0.004 0.000 2.084 38 Q HA -0.252 4.088 4.340 -0.000 0.000 0.202 38 Q C 2.163 178.164 176.000 0.002 0.000 0.978 38 Q CA 2.206 58.011 55.803 0.003 0.000 0.844 38 Q CB -0.456 28.283 28.738 0.002 0.000 0.898 38 Q HN 0.665 nan 8.270 nan 0.000 0.426 39 Q N -0.636 119.165 119.800 0.002 0.000 2.119 39 Q HA -0.139 4.201 4.340 -0.000 0.000 0.201 39 Q C 1.915 177.917 176.000 0.002 0.000 0.972 39 Q CA 1.601 57.405 55.803 0.002 0.000 0.847 39 Q CB -0.096 28.643 28.738 0.001 0.000 0.903 39 Q HN 0.403 nan 8.270 nan 0.000 0.433 40 Q N -0.107 119.694 119.800 0.002 0.000 2.084 40 Q HA -0.224 4.116 4.340 -0.000 0.000 0.202 40 Q C 2.009 178.010 176.000 0.002 0.000 0.978 40 Q CA 1.812 57.617 55.803 0.002 0.000 0.844 40 Q CB -0.326 28.414 28.738 0.003 0.000 0.898 40 Q HN 0.482 nan 8.270 nan 0.000 0.426 41 Q N 1.074 120.876 119.800 0.003 0.000 2.084 41 Q HA -0.179 4.160 4.340 -0.000 0.000 0.202 41 Q C 1.959 177.959 176.000 0.001 0.000 0.978 41 Q CA 1.747 57.551 55.803 0.002 0.000 0.844 41 Q CB -0.081 28.659 28.738 0.004 0.000 0.898 41 Q HN 0.392 nan 8.270 nan 0.000 0.426 42 Q N -0.568 119.233 119.800 0.001 0.000 2.050 42 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 42 Q C 2.096 178.096 176.000 0.000 0.000 0.980 42 Q CA 1.704 57.508 55.803 0.001 0.000 0.840 42 Q CB -0.120 28.618 28.738 0.001 0.000 0.898 42 Q HN 0.412 nan 8.270 nan 0.000 0.424 43 L N -0.099 121.124 121.223 -0.000 0.000 2.056 43 L HA -0.191 4.149 4.340 -0.000 0.000 0.207 43 L C 2.319 179.188 176.870 -0.002 0.000 1.078 43 L CA 0.427 55.267 54.840 -0.001 0.000 0.749 43 L CB -0.444 41.614 42.059 -0.001 0.000 0.901 43 L HN 0.293 nan 8.230 nan 0.000 0.433 44 L N 0.113 121.335 121.223 -0.002 0.000 2.042 44 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 44 L C 2.032 178.900 176.870 -0.004 0.000 1.076 44 L CA 1.925 56.762 54.840 -0.004 0.000 0.749 44 L CB -0.735 41.322 42.059 -0.004 0.000 0.893 44 L HN 0.210 nan 8.230 nan 0.000 0.432 45 D N -0.843 119.556 120.400 -0.002 0.000 2.123 45 D HA -0.167 4.472 4.640 -0.000 0.000 0.196 45 D C 2.352 178.651 176.300 -0.002 0.000 0.992 45 D CA 1.649 55.647 54.000 -0.002 0.000 0.833 45 D CB -0.348 40.452 40.800 -0.001 0.000 0.954 45 D HN 0.285 nan 8.370 nan 0.000 0.455 46 V N 1.211 121.125 119.914 -0.001 0.000 2.287 46 V HA -0.228 3.891 4.120 -0.000 0.000 0.248 46 V C 2.751 178.845 176.094 -0.001 0.000 1.053 46 V CA 1.874 64.174 62.300 0.000 0.000 1.027 46 V CB -0.705 31.119 31.823 0.001 0.000 0.646 46 V HN 0.194 nan 8.190 nan 0.000 0.447 47 V N -1.818 118.094 119.914 -0.003 0.000 2.548 47 V HA -0.175 3.945 4.120 -0.000 0.000 0.249 47 V C 2.239 178.329 176.094 -0.006 0.000 1.055 47 V CA 1.731 64.028 62.300 -0.004 0.000 1.065 47 V CB -0.904 30.915 31.823 -0.007 0.000 0.681 47 V HN 0.469 nan 8.190 nan 0.000 0.462 48 K N 0.107 120.504 120.400 -0.006 0.000 2.026 48 K HA -0.078 4.241 4.320 -0.000 0.000 0.208 48 K C 2.524 179.121 176.600 -0.004 0.000 1.048 48 K CA 1.679 57.962 56.287 -0.007 0.000 0.929 48 K CB -0.271 32.225 32.500 -0.007 0.000 0.713 48 K HN 0.350 nan 8.250 nan 0.000 0.439 49 R N 1.105 121.604 120.500 -0.002 0.000 2.115 49 R HA -0.078 4.261 4.340 -0.000 0.000 0.230 49 R C 2.199 178.501 176.300 0.005 0.000 1.111 49 R CA 1.194 57.294 56.100 0.001 0.000 0.976 49 R CB -0.301 29.999 30.300 0.001 0.000 0.870 49 R HN 0.410 nan 8.270 nan 0.000 0.445 50 Q N 0.306 120.109 119.800 0.005 0.000 2.124 50 Q HA -0.222 4.118 4.340 -0.000 0.000 0.202 50 Q C 2.086 178.092 176.000 0.010 0.000 0.977 50 Q CA 1.502 57.311 55.803 0.009 0.000 0.850 50 Q CB -0.050 28.692 28.738 0.007 0.000 0.901 50 Q HN 0.151 nan 8.270 nan 0.000 0.429 51 Q N 1.142 120.944 119.800 0.003 0.000 2.124 51 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 51 Q C 1.392 177.398 176.000 0.010 0.000 0.977 51 Q CA 1.699 57.504 55.803 0.002 0.000 0.850 51 Q CB 0.087 28.820 28.738 -0.008 0.000 0.901 51 Q HN 0.387 nan 8.270 nan 0.000 0.429 52 E N -0.493 119.712 120.200 0.008 0.000 2.077 52 E HA -0.190 4.159 4.350 -0.000 0.000 0.193 52 E C 1.808 178.421 176.600 0.022 0.000 0.989 52 E CA 1.171 57.577 56.400 0.010 0.000 0.800 52 E CB -0.223 29.478 29.700 0.001 0.000 0.746 52 E HN 0.284 nan 8.360 nan 0.000 0.452 53 L N 0.896 122.133 121.223 0.025 0.000 2.093 53 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 53 L C 2.083 178.987 176.870 0.056 0.000 1.085 53 L CA 1.173 56.036 54.840 0.038 0.000 0.755 53 L CB -0.373 41.705 42.059 0.031 0.000 0.904 53 L HN 0.116 nan 8.230 nan 0.000 0.435 54 L N -0.255 120.997 121.223 0.049 0.000 2.046 54 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 54 L C 2.685 179.604 176.870 0.082 0.000 1.077 54 L CA 1.682 56.559 54.840 0.061 0.000 0.747 54 L CB -0.687 41.394 42.059 0.038 0.000 0.896 54 L HN 0.255 nan 8.230 nan 0.000 0.432 55 R N -0.990 119.551 120.500 0.069 0.000 2.081 55 R HA -0.141 4.199 4.340 -0.000 0.000 0.235 55 R C 2.271 178.663 176.300 0.153 0.000 1.131 55 R CA 1.641 57.796 56.100 0.093 0.000 0.960 55 R CB -0.508 29.828 30.300 0.060 0.000 0.856 55 R HN 0.366 nan 8.270 nan 0.000 0.436 56 L N -0.147 121.153 121.223 0.127 0.000 2.141 56 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 56 L C 2.261 179.286 176.870 0.258 0.000 1.094 56 L CA 1.273 56.217 54.840 0.173 0.000 0.763 56 L CB -0.435 41.677 42.059 0.089 0.000 0.908 56 L HN 0.218 nan 8.230 nan 0.000 0.437 57 T N -1.009 113.659 114.554 0.190 0.000 2.821 57 T HA -0.129 4.220 4.350 -0.000 0.000 0.267 57 T C 1.983 176.822 174.700 0.232 0.000 1.046 57 T CA 1.117 63.332 62.100 0.192 0.000 1.139 57 T CB -0.111 68.842 68.868 0.141 0.000 0.871 57 T HN 0.056 nan 8.240 nan 0.000 0.454 58 V N 0.070 120.132 119.914 0.246 0.000 2.358 58 V HA -0.132 3.988 4.120 -0.000 0.000 0.246 58 V C 2.007 178.290 176.094 0.315 0.000 1.047 58 V CA 1.378 63.860 62.300 0.303 0.000 1.035 58 V CB -0.611 31.332 31.823 0.201 0.000 0.658 58 V HN 0.646 nan 8.190 nan 0.000 0.452 59 W N 1.418 122.803 121.300 0.141 0.000 2.333 59 W HA -0.144 4.515 4.660 -0.000 0.000 0.316 59 W C 2.344 178.925 176.519 0.104 0.000 1.215 59 W CA 2.185 59.598 57.345 0.113 0.000 1.278 59 W CB -0.814 28.687 29.460 0.068 0.000 1.154 59 W HN 0.237 nan 8.180 nan 0.000 0.486 60 G N -0.536 108.376 108.800 0.186 0.000 2.440 60 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.218 60 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.218 60 G C 1.391 176.169 174.900 -0.203 0.000 1.154 60 G CA 1.796 46.854 45.100 -0.071 0.000 0.767 60 G HN 0.322 nan 8.290 nan 0.000 0.552 61 T N 0.834 115.372 114.554 -0.026 0.000 2.684 61 T HA -0.091 4.259 4.350 -0.000 0.000 0.267 61 T C 2.324 176.909 174.700 -0.191 0.000 1.036 61 T CA 1.519 63.596 62.100 -0.038 0.000 1.148 61 T CB -0.173 68.793 68.868 0.164 0.000 0.863 61 T HN 0.323 nan 8.240 nan 0.000 0.436 62 K N 1.132 121.466 120.400 -0.110 0.000 2.032 62 K HA -0.116 4.203 4.320 -0.000 0.000 0.209 62 K C 2.454 178.819 176.600 -0.391 0.000 1.048 62 K CA 1.216 57.392 56.287 -0.186 0.000 0.927 62 K CB -0.279 32.195 32.500 -0.044 0.000 0.712 62 K HN 0.294 nan 8.250 nan 0.000 0.441 63 N N 1.379 119.716 118.700 -0.605 0.000 2.069 63 N HA -0.178 4.561 4.740 -0.000 0.000 0.191 63 N C 1.862 177.128 175.510 -0.408 0.000 1.031 63 N CA 1.249 53.925 53.050 -0.623 0.000 0.852 63 N CB -0.043 37.813 38.487 -1.051 0.000 1.018 63 N HN 0.119 nan 8.380 nan 0.000 0.423 64 L N 0.872 121.870 121.223 -0.375 0.000 2.083 64 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 64 L C 2.849 179.505 176.870 -0.357 0.000 1.083 64 L CA 0.927 55.592 54.840 -0.292 0.000 0.752 64 L CB -0.548 41.373 42.059 -0.229 0.000 0.899 64 L HN 0.263 nan 8.230 nan 0.000 0.433 65 Q N -0.068 119.430 119.800 -0.502 0.000 2.096 65 Q HA -0.193 4.147 4.340 -0.000 0.000 0.204 65 Q C 2.138 177.834 176.000 -0.506 0.000 0.982 65 Q CA 2.290 57.660 55.803 -0.722 0.000 0.850 65 Q CB -0.229 27.765 28.738 -1.240 0.000 0.901 65 Q HN 0.440 nan 8.270 nan 0.000 0.422 66 T N 0.446 114.773 114.554 -0.378 0.000 2.821 66 T HA -0.079 4.271 4.350 -0.000 0.000 0.267 66 T C 1.867 176.440 174.700 -0.211 0.000 1.046 66 T CA 1.196 63.141 62.100 -0.259 0.000 1.139 66 T CB -0.043 68.704 68.868 -0.202 0.000 0.871 66 T HN 0.311 nan 8.240 nan 0.000 0.454 67 R N 0.223 120.595 120.500 -0.212 0.000 2.090 67 R HA 0.048 4.388 4.340 -0.000 0.000 0.228 67 R C 2.458 178.664 176.300 -0.158 0.000 1.110 67 R CA 0.658 56.658 56.100 -0.166 0.000 0.973 67 R CB -0.412 29.795 30.300 -0.155 0.000 0.869 67 R HN 0.212 nan 8.270 nan 0.000 0.440 68 V N 0.391 120.189 119.914 -0.192 0.000 2.358 68 V HA -0.217 3.902 4.120 -0.000 0.000 0.246 68 V C 2.026 178.039 176.094 -0.135 0.000 1.047 68 V CA 2.077 64.284 62.300 -0.155 0.000 1.035 68 V CB -0.461 31.253 31.823 -0.183 0.000 0.658 68 V HN 0.381 nan 8.190 nan 0.000 0.452 69 T N 0.575 115.018 114.554 -0.184 0.000 2.720 69 T HA -0.204 4.146 4.350 -0.000 0.000 0.268 69 T C 2.061 176.705 174.700 -0.093 0.000 1.037 69 T CA 1.716 63.734 62.100 -0.137 0.000 1.144 69 T CB -0.424 68.338 68.868 -0.177 0.000 0.864 69 T HN 0.576 nan 8.240 nan 0.000 0.444 70 A N 0.921 123.679 122.820 -0.102 0.000 1.902 70 A HA -0.018 4.301 4.320 -0.000 0.000 0.217 70 A C 2.274 179.822 177.584 -0.060 0.000 1.181 70 A CA 1.212 53.203 52.037 -0.076 0.000 0.623 70 A CB -0.739 18.208 19.000 -0.087 0.000 0.818 70 A HN 0.525 nan 8.150 nan 0.000 0.443 71 I N -0.413 120.110 120.570 -0.078 0.000 2.179 71 I HA -0.267 3.903 4.170 -0.000 0.000 0.242 71 I C 2.491 178.547 176.117 -0.101 0.000 1.088 71 I CA 1.682 62.942 61.300 -0.067 0.000 1.357 71 I CB -0.408 37.551 38.000 -0.068 0.000 1.051 71 I HN 0.413 nan 8.210 nan 0.000 0.409 72 E N 0.681 120.827 120.200 -0.090 0.000 2.077 72 E HA -0.280 4.070 4.350 -0.000 0.000 0.193 72 E C 2.154 178.598 176.600 -0.261 0.000 0.989 72 E CA 1.167 57.490 56.400 -0.128 0.000 0.800 72 E CB -0.123 29.661 29.700 0.141 0.000 0.746 72 E HN 0.339 nan 8.360 nan 0.000 0.452 73 K N 0.359 120.685 120.400 -0.124 0.000 2.032 73 K HA -0.242 4.077 4.320 -0.000 0.000 0.209 73 K C 2.211 178.712 176.600 -0.165 0.000 1.048 73 K CA 1.467 57.686 56.287 -0.113 0.000 0.927 73 K CB -0.245 32.225 32.500 -0.050 0.000 0.712 73 K HN 0.134 nan 8.250 nan 0.000 0.441 74 Y N 1.488 121.647 120.300 -0.236 0.000 2.097 74 Y HA -0.225 4.325 4.550 -0.000 0.000 0.282 74 Y C 1.832 177.545 175.900 -0.312 0.000 1.152 74 Y CA 1.757 59.722 58.100 -0.225 0.000 1.136 74 Y CB -0.261 38.089 38.460 -0.182 0.000 0.975 74 Y HN 0.020 nan 8.280 nan 0.000 0.498 75 L N 0.232 121.175 121.223 -0.466 0.000 2.093 75 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 75 L C 2.617 178.988 176.870 -0.831 0.000 1.085 75 L CA 1.634 56.045 54.840 -0.715 0.000 0.755 75 L CB -0.559 40.944 42.059 -0.926 0.000 0.904 75 L HN 0.176 nan 8.230 nan 0.000 0.435 76 K N 0.167 120.000 120.400 -0.944 0.000 2.097 76 K HA -0.200 4.120 4.320 -0.000 0.000 0.206 76 K C 1.585 178.016 176.600 -0.281 0.000 1.049 76 K CA 1.632 57.583 56.287 -0.559 0.000 0.933 76 K CB 0.055 32.369 32.500 -0.310 0.000 0.717 76 K HN 0.231 nan 8.250 nan 0.000 0.442 77 D N 0.409 120.621 120.400 -0.314 0.000 2.117 77 D HA -0.188 4.452 4.640 -0.000 0.000 0.197 77 D C 1.953 178.087 176.300 -0.278 0.000 0.987 77 D CA 1.170 55.019 54.000 -0.252 0.000 0.829 77 D CB -0.171 40.464 40.800 -0.274 0.000 0.961 77 D HN 0.280 nan 8.370 nan 0.000 0.460 78 Q N 0.881 120.428 119.800 -0.422 0.000 2.119 78 Q HA -0.038 4.302 4.340 -0.000 0.000 0.201 78 Q C 1.872 177.765 176.000 -0.178 0.000 0.972 78 Q CA 1.916 57.511 55.803 -0.347 0.000 0.847 78 Q CB -0.365 28.080 28.738 -0.489 0.000 0.903 78 Q HN 0.159 nan 8.270 nan 0.000 0.433 79 A N 0.637 123.368 122.820 -0.148 0.000 1.902 79 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 79 A C 2.103 179.697 177.584 0.016 0.000 1.181 79 A CA 1.731 53.756 52.037 -0.020 0.000 0.623 79 A CB -0.886 18.157 19.000 0.071 0.000 0.818 79 A HN 0.690 nan 8.150 nan 0.000 0.443 80 Q N -0.620 119.178 119.800 -0.004 0.000 2.079 80 Q HA -0.172 4.168 4.340 -0.000 0.000 0.200 80 Q C 1.988 178.024 176.000 0.060 0.000 0.974 80 Q CA 1.764 57.592 55.803 0.042 0.000 0.840 80 Q CB -0.329 28.419 28.738 0.017 0.000 0.898 80 Q HN 0.525 nan 8.270 nan 0.000 0.430 81 L N 1.551 122.767 121.223 -0.012 0.000 2.083 81 L HA -0.158 4.181 4.340 -0.000 0.000 0.209 81 L C 1.860 178.779 176.870 0.080 0.000 1.083 81 L CA 1.822 56.661 54.840 -0.002 0.000 0.752 81 L CB -0.682 41.329 42.059 -0.079 0.000 0.899 81 L HN 0.231 nan 8.230 nan 0.000 0.433 82 N N 0.229 118.957 118.700 0.046 0.000 2.120 82 N HA -0.137 4.603 4.740 -0.000 0.000 0.188 82 N C 1.872 177.438 175.510 0.094 0.000 1.024 82 N CA 1.557 54.644 53.050 0.061 0.000 0.852 82 N CB -0.432 38.074 38.487 0.033 0.000 1.003 82 N HN 0.544 nan 8.380 nan 0.000 0.424 83 A N 0.913 123.795 122.820 0.104 0.000 1.917 83 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 83 A C 2.067 179.732 177.584 0.135 0.000 1.182 83 A CA 1.131 53.230 52.037 0.104 0.000 0.633 83 A CB -1.172 17.895 19.000 0.110 0.000 0.819 83 A HN 0.580 nan 8.150 nan 0.000 0.448 84 W N 1.274 122.569 121.300 -0.009 0.000 2.392 84 W HA -0.034 4.626 4.660 -0.000 0.000 0.279 84 W C 1.114 177.629 176.519 -0.008 0.000 1.225 84 W CA 1.071 58.411 57.345 -0.009 0.000 1.233 84 W CB -0.448 29.004 29.460 -0.013 0.000 1.122 84 W HN 0.327 nan 8.180 nan 0.000 0.561 95 A N -0.003 122.834 122.820 0.030 0.000 2.335 95 A HA 0.623 4.942 4.320 -0.000 0.000 0.304 95 A C -0.469 177.144 177.584 0.049 0.000 1.118 95 A CA -0.365 51.695 52.037 0.037 0.000 0.757 95 A CB 0.874 19.896 19.000 0.036 0.000 1.188 95 A HN 1.658 nan 8.150 nan 0.000 0.460 96 V N 4.638 124.585 119.914 0.056 0.000 2.486 96 V HA 0.027 4.147 4.120 -0.000 0.000 0.290 96 V C -1.771 174.383 176.094 0.099 0.000 0.991 96 V CA -0.150 62.191 62.300 0.068 0.000 1.142 96 V CB -0.205 31.664 31.823 0.075 0.000 0.926 96 V HN 0.771 nan 8.190 nan 0.000 0.472 97 P HA -0.076 nan 4.420 nan 0.000 0.264 97 P C -0.063 177.335 177.300 0.163 0.000 1.193 97 P CA -0.086 63.079 63.100 0.109 0.000 0.763 97 P CB 0.356 32.094 31.700 0.062 0.000 0.810 98 W N 7.360 128.662 121.300 0.003 0.000 2.565 98 W HA 0.048 4.707 4.660 -0.001 0.000 0.325 98 W C -1.463 175.062 176.519 0.011 0.000 1.408 98 W CA -1.741 55.605 57.345 0.003 0.000 1.350 98 W CB 0.561 30.019 29.460 -0.004 0.000 1.426 98 W HN 0.484 nan 8.180 nan 0.000 0.538 99 P HA -0.133 nan 4.420 nan 0.000 0.223 99 P C 0.136 177.205 177.300 -0.386 0.000 1.151 99 P CA 1.009 63.907 63.100 -0.337 0.000 0.787 99 P CB 0.165 31.664 31.700 -0.335 0.000 0.788 100 N N 0.624 118.918 118.700 -0.676 0.000 2.399 100 N HA 0.250 4.989 4.740 -0.000 0.000 0.250 100 N C 0.285 175.733 175.510 -0.103 0.000 1.272 100 N CA -0.088 52.756 53.050 -0.345 0.000 0.928 100 N CB 0.046 38.346 38.487 -0.312 0.000 1.158 100 N HN 0.048 nan 8.380 nan 0.000 0.463 101 A N 0.262 123.075 122.820 -0.012 0.000 2.371 101 A HA 0.206 4.526 4.320 -0.000 0.000 0.257 101 A C 1.338 178.974 177.584 0.087 0.000 1.089 101 A CA -0.343 51.721 52.037 0.045 0.000 0.794 101 A CB 0.083 19.124 19.000 0.068 0.000 1.029 101 A HN 0.636 nan 8.150 nan 0.000 0.488 102 S N 0.614 116.360 115.700 0.077 0.000 2.389 102 S HA -0.238 4.232 4.470 -0.000 0.000 0.231 102 S C 1.712 176.373 174.600 0.102 0.000 1.052 102 S CA 2.313 60.565 58.200 0.087 0.000 1.053 102 S CB -0.663 62.574 63.200 0.062 0.000 0.886 102 S HN 0.840 nan 8.310 nan 0.000 0.456 103 L N 0.077 121.362 121.223 0.104 0.000 2.395 103 L HA 0.200 4.539 4.340 -0.000 0.000 0.218 103 L C 1.934 178.931 176.870 0.211 0.000 1.130 103 L CA 1.039 55.951 54.840 0.121 0.000 0.826 103 L CB -1.883 40.218 42.059 0.071 0.000 0.941 103 L HN -0.014 nan 8.230 nan 0.000 0.451 104 T N 0.786 115.472 114.554 0.219 0.000 2.684 104 T HA -0.072 4.278 4.350 -0.000 0.000 0.267 104 T C -0.146 174.685 174.700 0.219 0.000 1.036 104 T CA 2.005 64.269 62.100 0.273 0.000 1.148 104 T CB -1.167 67.812 68.868 0.185 0.000 0.863 104 T HN 0.335 nan 8.240 nan 0.000 0.436 105 P HA -0.067 nan 4.420 nan 0.000 0.215 105 P C 1.492 178.877 177.300 0.142 0.000 1.153 105 P CA 1.092 64.270 63.100 0.131 0.000 0.853 105 P CB 0.004 31.769 31.700 0.109 0.000 0.788 106 K N -1.482 119.016 120.400 0.164 0.000 2.002 106 K HA -0.200 4.119 4.320 -0.000 0.000 0.209 106 K C 2.033 178.785 176.600 0.253 0.000 1.048 106 K CA 1.482 57.870 56.287 0.168 0.000 0.930 106 K CB -0.706 31.877 32.500 0.139 0.000 0.714 106 K HN 0.031 nan 8.250 nan 0.000 0.438 107 W N 2.656 123.993 121.300 0.061 0.000 2.335 107 W HA -0.186 4.474 4.660 -0.000 0.000 0.311 107 W C 1.813 178.392 176.519 0.101 0.000 1.213 107 W CA 1.702 59.087 57.345 0.066 0.000 1.274 107 W CB -1.048 28.442 29.460 0.051 0.000 1.148 107 W HN 0.220 nan 8.180 nan 0.000 0.498 108 N N 0.464 119.234 118.700 0.116 0.000 2.166 108 N HA -0.252 4.487 4.740 -0.000 0.000 0.186 108 N C 1.555 177.186 175.510 0.201 0.000 1.019 108 N CA 1.713 54.795 53.050 0.054 0.000 0.856 108 N CB -0.605 37.890 38.487 0.013 0.000 0.993 108 N HN 0.278 nan 8.380 nan 0.000 0.426 109 N N 0.830 119.628 118.700 0.164 0.000 2.084 109 N HA -0.133 4.607 4.740 -0.000 0.000 0.190 109 N C 1.559 177.186 175.510 0.196 0.000 1.030 109 N CA 1.446 54.591 53.050 0.158 0.000 0.849 109 N CB -0.002 38.552 38.487 0.111 0.000 1.012 109 N HN 0.299 nan 8.380 nan 0.000 0.423 110 E N -1.083 119.236 120.200 0.199 0.000 2.072 110 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 110 E C 1.729 178.442 176.600 0.188 0.000 0.985 110 E CA 1.466 57.977 56.400 0.187 0.000 0.801 110 E CB -0.096 29.722 29.700 0.197 0.000 0.750 110 E HN 0.406 nan 8.360 nan 0.000 0.452 111 T N -0.027 114.640 114.554 0.189 0.000 2.746 111 T HA -0.175 4.174 4.350 -0.000 0.000 0.267 111 T C 1.177 175.899 174.700 0.036 0.000 1.039 111 T CA 1.230 63.373 62.100 0.072 0.000 1.142 111 T CB -0.314 68.509 68.868 -0.075 0.000 0.866 111 T HN 0.332 nan 8.240 nan 0.000 0.444 112 W N 1.526 122.852 121.300 0.043 0.000 2.584 112 W HA 0.099 4.758 4.660 -0.001 0.000 0.264 112 W C 2.530 179.165 176.519 0.194 0.000 1.264 112 W CA 0.084 57.478 57.345 0.081 0.000 1.306 112 W CB -0.208 29.217 29.460 -0.059 0.000 1.110 112 W HN 0.328 nan 8.180 nan 0.000 0.606 113 Q N 0.041 120.035 119.800 0.325 0.000 2.119 113 Q HA -0.216 4.123 4.340 -0.000 0.000 0.201 113 Q C 2.030 178.144 176.000 0.191 0.000 0.972 113 Q CA 1.537 57.482 55.803 0.237 0.000 0.847 113 Q CB -0.264 28.572 28.738 0.164 0.000 0.903 113 Q HN 0.395 nan 8.270 nan 0.000 0.433 114 E N -0.027 120.270 120.200 0.161 0.000 2.077 114 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 114 E C 1.634 178.301 176.600 0.112 0.000 0.989 114 E CA 1.035 57.498 56.400 0.104 0.000 0.800 114 E CB -0.143 29.604 29.700 0.080 0.000 0.746 114 E HN 0.440 nan 8.360 nan 0.000 0.452 115 W N 1.895 123.157 121.300 -0.064 0.000 2.335 115 W HA -0.244 4.416 4.660 -0.001 0.000 0.311 115 W C 2.230 178.757 176.519 0.013 0.000 1.213 115 W CA 2.207 59.489 57.345 -0.106 0.000 1.274 115 W CB -0.204 29.058 29.460 -0.331 0.000 1.148 115 W HN 0.154 nan 8.180 nan 0.000 0.498 116 E N 0.334 120.751 120.200 0.362 0.000 2.077 116 E HA -0.242 4.108 4.350 -0.000 0.000 0.193 116 E C 2.237 178.832 176.600 -0.009 0.000 0.989 116 E CA 1.737 58.243 56.400 0.177 0.000 0.800 116 E CB -0.356 29.534 29.700 0.316 0.000 0.746 116 E HN 0.052 nan 8.360 nan 0.000 0.452 117 R N 0.542 121.060 120.500 0.029 0.000 2.081 117 R HA -0.089 4.251 4.340 -0.000 0.000 0.235 117 R C 2.329 178.611 176.300 -0.030 0.000 1.131 117 R CA 1.619 57.718 56.100 -0.001 0.000 0.960 117 R CB -0.377 29.919 30.300 -0.008 0.000 0.856 117 R HN 0.271 nan 8.270 nan 0.000 0.436 118 K N 0.082 120.434 120.400 -0.080 0.000 2.025 118 K HA -0.048 4.272 4.320 -0.000 0.000 0.207 118 K C 2.160 178.692 176.600 -0.113 0.000 1.049 118 K CA 1.166 57.412 56.287 -0.068 0.000 0.933 118 K CB -0.179 32.254 32.500 -0.111 0.000 0.714 118 K HN -0.062 nan 8.250 nan 0.000 0.438 119 V N 2.253 121.953 119.914 -0.358 0.000 2.427 119 V HA -0.224 3.895 4.120 -0.000 0.000 0.248 119 V C 1.474 177.454 176.094 -0.191 0.000 1.051 119 V CA 1.859 63.915 62.300 -0.408 0.000 1.048 119 V CB -0.427 30.864 31.823 -0.888 0.000 0.666 119 V HN 0.277 nan 8.190 nan 0.000 0.456 120 D N -0.613 119.720 120.400 -0.111 0.000 2.178 120 D HA -0.137 4.503 4.640 -0.000 0.000 0.202 120 D C 1.827 178.161 176.300 0.056 0.000 0.974 120 D CA 0.983 54.974 54.000 -0.014 0.000 0.841 120 D CB -0.253 40.559 40.800 0.021 0.000 0.953 120 D HN 0.453 nan 8.370 nan 0.000 0.478 121 F N 1.290 121.190 119.950 -0.084 0.000 2.146 121 F HA -0.039 4.488 4.527 0.000 0.000 0.298 121 F C 2.015 177.778 175.800 -0.062 0.000 1.096 121 F CA 0.896 58.859 58.000 -0.061 0.000 1.275 121 F CB -0.385 38.580 39.000 -0.059 0.000 1.008 121 F HN -0.134 nan 8.300 nan 0.000 0.480 122 L N 0.034 121.195 121.223 -0.102 0.000 2.083 122 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 122 L C 2.401 179.162 176.870 -0.182 0.000 1.083 122 L CA 1.587 56.297 54.840 -0.217 0.000 0.752 122 L CB -0.667 41.318 42.059 -0.122 0.000 0.899 122 L HN 0.162 nan 8.230 nan 0.000 0.433 123 E N -0.194 119.937 120.200 -0.115 0.000 2.077 123 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 123 E C 2.082 178.629 176.600 -0.089 0.000 0.989 123 E CA 1.105 57.456 56.400 -0.082 0.000 0.800 123 E CB -0.031 29.643 29.700 -0.043 0.000 0.746 123 E HN 0.513 nan 8.360 nan 0.000 0.452 124 E N 0.701 120.845 120.200 -0.093 0.000 2.077 124 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 124 E C 2.041 178.553 176.600 -0.146 0.000 0.989 124 E CA 0.605 56.952 56.400 -0.088 0.000 0.800 124 E CB -0.141 29.531 29.700 -0.047 0.000 0.746 124 E HN 0.240 nan 8.360 nan 0.000 0.452 125 N N 0.808 119.345 118.700 -0.271 0.000 2.142 125 N HA -0.146 4.594 4.740 -0.000 0.000 0.186 125 N C 1.956 177.358 175.510 -0.179 0.000 1.023 125 N CA 0.752 53.627 53.050 -0.292 0.000 0.852 125 N CB 0.043 38.224 38.487 -0.511 0.000 0.998 125 N HN 0.105 nan 8.380 nan 0.000 0.424 126 I N 0.602 121.079 120.570 -0.155 0.000 2.315 126 I HA -0.194 3.976 4.170 -0.000 0.000 0.248 126 I C 2.154 178.226 176.117 -0.074 0.000 1.117 126 I CA 0.893 62.132 61.300 -0.101 0.000 1.404 126 I CB -0.390 37.559 38.000 -0.084 0.000 1.071 126 I HN 0.116 nan 8.210 nan 0.000 0.419 127 T N 0.863 115.375 114.554 -0.070 0.000 2.684 127 T HA -0.225 4.125 4.350 -0.000 0.000 0.267 127 T C 2.084 176.755 174.700 -0.047 0.000 1.036 127 T CA 1.608 63.679 62.100 -0.049 0.000 1.148 127 T CB -0.357 68.487 68.868 -0.040 0.000 0.863 127 T HN 0.492 nan 8.240 nan 0.000 0.436 128 A N 1.078 123.862 122.820 -0.059 0.000 1.908 128 A HA -0.008 4.312 4.320 -0.000 0.000 0.218 128 A C 2.319 179.875 177.584 -0.047 0.000 1.181 128 A CA 1.261 53.267 52.037 -0.051 0.000 0.627 128 A CB -0.829 18.135 19.000 -0.061 0.000 0.818 128 A HN 0.487 nan 8.150 nan 0.000 0.445 129 L N -0.821 120.367 121.223 -0.057 0.000 2.093 129 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 129 L C 2.514 179.363 176.870 -0.036 0.000 1.085 129 L CA 0.827 55.638 54.840 -0.047 0.000 0.755 129 L CB -0.461 41.565 42.059 -0.056 0.000 0.904 129 L HN 0.372 nan 8.230 nan 0.000 0.435 130 L N -0.608 120.594 121.223 -0.036 0.000 2.093 130 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 130 L C 2.549 179.406 176.870 -0.022 0.000 1.085 130 L CA 1.199 56.023 54.840 -0.026 0.000 0.755 130 L CB -0.428 41.616 42.059 -0.026 0.000 0.904 130 L HN 0.294 nan 8.230 nan 0.000 0.435 131 E N -0.269 119.917 120.200 -0.024 0.000 2.072 131 E HA -0.250 4.100 4.350 -0.000 0.000 0.191 131 E C 2.022 178.610 176.600 -0.019 0.000 0.985 131 E CA 1.009 57.397 56.400 -0.020 0.000 0.801 131 E CB 0.045 29.732 29.700 -0.021 0.000 0.750 131 E HN 0.290 nan 8.360 nan 0.000 0.452 132 E N 1.063 121.250 120.200 -0.022 0.000 2.106 132 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 132 E C 1.775 178.365 176.600 -0.017 0.000 0.984 132 E CA 1.234 57.622 56.400 -0.020 0.000 0.806 132 E CB -0.196 29.491 29.700 -0.022 0.000 0.750 132 E HN 0.219 nan 8.360 nan 0.000 0.458 133 A N 0.279 123.090 122.820 -0.017 0.000 1.930 133 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 133 A C 2.190 179.769 177.584 -0.009 0.000 1.175 133 A CA 1.762 53.792 52.037 -0.012 0.000 0.627 133 A CB -0.644 18.348 19.000 -0.013 0.000 0.815 133 A HN 0.304 nan 8.150 nan 0.000 0.443 134 Q N 0.316 120.110 119.800 -0.010 0.000 2.084 134 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 134 Q C 1.704 177.700 176.000 -0.007 0.000 0.978 134 Q CA 2.026 57.824 55.803 -0.007 0.000 0.844 134 Q CB -0.532 28.201 28.738 -0.009 0.000 0.898 134 Q HN 0.691 nan 8.270 nan 0.000 0.426 135 I N 0.069 120.633 120.570 -0.011 0.000 2.226 135 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 135 I C 2.385 178.496 176.117 -0.011 0.000 1.100 135 I CA 1.391 62.682 61.300 -0.014 0.000 1.374 135 I CB -0.331 37.657 38.000 -0.020 0.000 1.057 135 I HN 0.288 nan 8.210 nan 0.000 0.413 136 Q N 0.859 120.654 119.800 -0.008 0.000 2.124 136 Q HA -0.276 4.064 4.340 -0.000 0.000 0.202 136 Q C 2.064 178.068 176.000 0.007 0.000 0.977 136 Q CA 1.724 57.525 55.803 -0.003 0.000 0.850 136 Q CB -0.231 28.505 28.738 -0.003 0.000 0.901 136 Q HN 0.380 nan 8.270 nan 0.000 0.429 137 Q N 0.464 120.268 119.800 0.006 0.000 2.096 137 Q HA -0.186 4.154 4.340 -0.000 0.000 0.204 137 Q C 1.635 177.649 176.000 0.023 0.000 0.982 137 Q CA 2.229 58.040 55.803 0.013 0.000 0.850 137 Q CB -0.091 28.652 28.738 0.008 0.000 0.901 137 Q HN 0.598 nan 8.270 nan 0.000 0.422 138 E N -0.175 120.037 120.200 0.019 0.000 2.077 138 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 138 E C 2.006 178.639 176.600 0.056 0.000 0.989 138 E CA 1.214 57.634 56.400 0.033 0.000 0.800 138 E CB -0.071 29.637 29.700 0.014 0.000 0.746 138 E HN 0.315 nan 8.360 nan 0.000 0.452 139 K N 0.665 121.083 120.400 0.030 0.000 2.063 139 K HA -0.132 4.188 4.320 -0.000 0.000 0.208 139 K C 1.938 178.599 176.600 0.102 0.000 1.048 139 K CA 1.322 57.633 56.287 0.039 0.000 0.928 139 K CB -0.086 32.413 32.500 -0.001 0.000 0.713 139 K HN 0.019 nan 8.250 nan 0.000 0.442 140 N N 0.773 119.512 118.700 0.066 0.000 2.142 140 N HA -0.149 4.590 4.740 -0.000 0.000 0.186 140 N C 1.692 177.243 175.510 0.069 0.000 1.023 140 N CA 1.141 54.227 53.050 0.061 0.000 0.852 140 N CB -0.185 38.323 38.487 0.034 0.000 0.998 140 N HN 0.093 nan 8.380 nan 0.000 0.424 141 M N -0.151 119.491 119.600 0.071 0.000 2.117 141 M HA -0.121 4.359 4.480 -0.000 0.000 0.262 141 M C 1.918 178.267 176.300 0.081 0.000 1.065 141 M CA 1.275 56.611 55.300 0.060 0.000 1.114 141 M CB -0.773 31.858 32.600 0.052 0.000 1.361 141 M HN 0.230 nan 8.290 nan 0.000 0.408 142 Y N 0.862 121.160 120.300 -0.003 0.000 2.128 142 Y HA -0.246 4.304 4.550 -0.000 0.000 0.284 142 Y C 2.000 177.898 175.900 -0.002 0.000 1.154 142 Y CA 2.252 60.351 58.100 -0.003 0.000 1.149 142 Y CB -0.194 38.264 38.460 -0.003 0.000 0.976 142 Y HN 0.295 nan 8.280 nan 0.000 0.505 143 E N 0.023 120.303 120.200 0.134 0.000 2.106 143 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 143 E C 2.167 178.747 176.600 -0.034 0.000 0.984 143 E CA 1.095 57.520 56.400 0.042 0.000 0.806 143 E CB -0.574 29.183 29.700 0.094 0.000 0.750 143 E HN 0.508 nan 8.360 nan 0.000 0.458 144 L N 1.421 122.635 121.223 -0.015 0.000 2.083 144 L HA -0.180 4.159 4.340 -0.000 0.000 0.209 144 L C 2.088 178.921 176.870 -0.061 0.000 1.083 144 L CA 1.740 56.564 54.840 -0.027 0.000 0.752 144 L CB -0.338 41.715 42.059 -0.009 0.000 0.899 144 L HN 0.017 nan 8.230 nan 0.000 0.433 145 Q N -0.686 119.056 119.800 -0.096 0.000 2.224 145 Q HA -0.215 4.125 4.340 -0.000 0.000 0.203 145 Q C 2.082 177.981 176.000 -0.167 0.000 0.970 145 Q CA 1.475 57.204 55.803 -0.124 0.000 0.865 145 Q CB -0.136 28.517 28.738 -0.140 0.000 0.922 145 Q HN 0.504 nan 8.270 nan 0.000 0.445 146 K N 0.673 120.936 120.400 -0.228 0.000 2.305 146 K HA -0.087 4.233 4.320 -0.000 0.000 0.199 146 K C 1.878 178.411 176.600 -0.112 0.000 1.047 146 K CA 0.094 56.251 56.287 -0.217 0.000 0.976 146 K CB 0.097 32.422 32.500 -0.292 0.000 0.765 146 K HN 0.085 nan 8.250 nan 0.000 0.474 147 L N 2.302 123.475 121.223 -0.084 0.000 1.941 147 L HA -0.315 4.025 4.340 -0.000 0.000 0.224 147 L C 2.117 178.962 176.870 -0.041 0.000 1.081 147 L CA 2.395 57.206 54.840 -0.049 0.000 0.784 147 L CB -0.917 41.120 42.059 -0.037 0.000 0.894 147 L HN 0.303 nan 8.230 nan 0.000 0.436 148 N N -1.023 117.653 118.700 -0.040 0.000 2.120 148 N HA -0.084 4.656 4.740 -0.000 0.000 0.188 148 N C 0.524 176.013 175.510 -0.036 0.000 1.024 148 N CA 1.236 54.267 53.050 -0.032 0.000 0.852 148 N CB 0.140 38.611 38.487 -0.028 0.000 1.003 148 N HN 0.595 nan 8.380 nan 0.000 0.424 149 S N 0.000 115.671 115.700 -0.049 0.000 2.498 149 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 149 S CA 0.000 58.169 58.200 -0.051 0.000 1.107 149 S CB 0.000 63.179 63.200 -0.035 0.000 0.593 149 S HN 0.000 nan 8.310 nan 0.000 0.517