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 2p61_1_A DATA FIRST_RESID 34 DATA SEQUENCE EFFDILEDVK EDHFEKLLEE AVEEVIDSGN ELVRSPTPSN LKRYKNAIKE DATA SEQUENCE FLKLIEKKIY KLXXXXXXNS GRARLHLVVE EVNEKLMDLT EKIMKNEWQT DATA SEQUENCE INLAARIEEI NGLILNLYRE 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 34 E HA 0.000 nan 4.350 nan 0.000 0.291 34 E C 0.000 176.701 176.600 0.169 0.000 1.382 34 E CA 0.000 56.498 56.400 0.163 0.000 0.976 34 E CB 0.000 29.774 29.700 0.123 0.000 0.812 35 F N 1.018 120.978 119.950 0.018 0.000 2.367 35 F HA 0.132 4.659 4.527 -0.001 0.000 0.298 35 F C 1.500 177.210 175.800 -0.151 0.000 1.094 35 F CA 0.972 58.913 58.000 -0.099 0.000 1.409 35 F CB -0.032 38.857 39.000 -0.185 0.000 1.064 35 F HN -0.099 nan 8.300 nan 0.000 0.528 36 F N 0.653 120.537 119.950 -0.110 0.000 2.802 36 F HA 0.037 4.563 4.527 -0.001 0.000 0.300 36 F C 1.545 177.256 175.800 -0.148 0.000 1.168 36 F CA 0.636 58.500 58.000 -0.227 0.000 1.433 36 F CB -0.303 38.699 39.000 0.005 0.000 1.115 36 F HN 0.078 nan 8.300 nan 0.000 0.582 37 D N -0.201 120.219 120.400 0.034 0.000 2.324 37 D HA 0.070 4.709 4.640 -0.001 0.000 0.212 37 D C 2.148 178.420 176.300 -0.046 0.000 0.984 37 D CA 0.638 54.648 54.000 0.015 0.000 0.885 37 D CB 0.192 41.016 40.800 0.040 0.000 0.996 37 D HN 0.153 nan 8.370 nan 0.000 0.505 38 I N 0.145 120.653 120.570 -0.103 0.000 2.353 38 I HA -0.120 4.049 4.170 -0.001 0.000 0.248 38 I C 2.004 178.007 176.117 -0.191 0.000 1.119 38 I CA 0.295 61.522 61.300 -0.122 0.000 1.417 38 I CB -0.013 37.932 38.000 -0.092 0.000 1.078 38 I HN 0.075 nan 8.210 nan 0.000 0.421 39 L N 0.861 121.869 121.223 -0.358 0.000 1.990 39 L HA -0.244 4.096 4.340 -0.001 0.000 0.213 39 L C 2.565 179.348 176.870 -0.145 0.000 1.072 39 L CA 1.938 56.566 54.840 -0.354 0.000 0.755 39 L CB -0.580 41.122 42.059 -0.595 0.000 0.889 39 L HN 0.171 nan 8.230 nan 0.000 0.432 40 E N -0.348 119.804 120.200 -0.080 0.000 2.160 40 E HA -0.231 4.119 4.350 -0.001 0.000 0.195 40 E C 1.866 178.459 176.600 -0.012 0.000 0.991 40 E CA 1.452 57.838 56.400 -0.023 0.000 0.810 40 E CB -0.318 29.381 29.700 -0.001 0.000 0.742 40 E HN 0.602 nan 8.360 nan 0.000 0.466 41 D N -0.146 120.240 120.400 -0.024 0.000 2.123 41 D HA -0.090 4.549 4.640 -0.001 0.000 0.200 41 D C 2.044 178.350 176.300 0.011 0.000 0.976 41 D CA 0.586 54.585 54.000 -0.002 0.000 0.831 41 D CB -0.090 40.705 40.800 -0.009 0.000 0.974 41 D HN -0.018 nan 8.370 nan 0.000 0.469 42 V N 0.717 120.622 119.914 -0.016 0.000 2.594 42 V HA -0.203 3.917 4.120 -0.001 0.000 0.253 42 V C 2.175 178.301 176.094 0.054 0.000 1.069 42 V CA 1.418 63.720 62.300 0.003 0.000 1.082 42 V CB -0.324 31.470 31.823 -0.047 0.000 0.680 42 V HN 0.180 nan 8.190 nan 0.000 0.469 43 K N -0.211 120.215 120.400 0.043 0.000 2.044 43 K HA -0.150 4.170 4.320 -0.001 0.000 0.204 43 K C 2.262 178.961 176.600 0.165 0.000 1.049 43 K CA 1.343 57.686 56.287 0.094 0.000 0.945 43 K CB -0.085 32.440 32.500 0.042 0.000 0.724 43 K HN 0.471 nan 8.250 nan 0.000 0.440 44 E N 0.921 121.188 120.200 0.112 0.000 2.058 44 E HA -0.208 4.141 4.350 -0.001 0.000 0.194 44 E C 1.350 178.052 176.600 0.170 0.000 0.997 44 E CA 1.714 58.193 56.400 0.131 0.000 0.801 44 E CB 0.174 29.918 29.700 0.074 0.000 0.746 44 E HN 0.212 nan 8.360 nan 0.000 0.450 45 D N -0.954 119.526 120.400 0.133 0.000 2.123 45 D HA -0.153 4.487 4.640 -0.001 0.000 0.200 45 D C 1.779 178.164 176.300 0.142 0.000 0.976 45 D CA 1.085 55.155 54.000 0.116 0.000 0.831 45 D CB -0.575 40.276 40.800 0.086 0.000 0.974 45 D HN 0.262 nan 8.370 nan 0.000 0.469 46 H N -0.105 119.011 119.070 0.076 0.000 2.289 46 H HA -0.176 4.380 4.556 -0.001 0.000 0.296 46 H C 1.852 177.239 175.328 0.098 0.000 1.091 46 H CA 1.712 57.804 56.048 0.075 0.000 1.274 46 H CB -0.582 29.227 29.762 0.077 0.000 1.364 46 H HN 0.150 nan 8.280 nan 0.000 0.490 47 F N 1.108 121.038 119.950 -0.033 0.000 2.146 47 F HA -0.066 4.461 4.527 -0.001 0.000 0.298 47 F C 2.181 177.939 175.800 -0.071 0.000 1.096 47 F CA 1.315 59.262 58.000 -0.090 0.000 1.275 47 F CB -0.184 38.814 39.000 -0.003 0.000 1.008 47 F HN 0.097 nan 8.300 nan 0.000 0.480 48 E N 0.883 121.098 120.200 0.024 0.000 2.147 48 E HA -0.283 4.066 4.350 -0.001 0.000 0.199 48 E C 2.060 178.610 176.600 -0.083 0.000 1.005 48 E CA 1.715 58.103 56.400 -0.020 0.000 0.810 48 E CB -0.448 29.299 29.700 0.078 0.000 0.736 48 E HN 0.589 nan 8.360 nan 0.000 0.460 49 K N 0.027 120.362 120.400 -0.108 0.000 2.116 49 K HA 0.004 4.323 4.320 -0.001 0.000 0.203 49 K C 2.126 178.613 176.600 -0.188 0.000 1.052 49 K CA 0.512 56.734 56.287 -0.109 0.000 0.952 49 K CB -0.131 32.329 32.500 -0.066 0.000 0.729 49 K HN 0.069 nan 8.250 nan 0.000 0.446 50 L N 0.923 121.952 121.223 -0.323 0.000 2.012 50 L HA -0.187 4.153 4.340 -0.001 0.000 0.210 50 L C 2.502 179.176 176.870 -0.328 0.000 1.073 50 L CA 1.146 55.776 54.840 -0.349 0.000 0.748 50 L CB -0.471 41.314 42.059 -0.455 0.000 0.891 50 L HN 0.350 nan 8.230 nan 0.000 0.431 51 L N -0.045 120.922 121.223 -0.428 0.000 2.044 51 L HA -0.192 4.147 4.340 -0.001 0.000 0.205 51 L C 2.420 179.173 176.870 -0.194 0.000 1.075 51 L CA 1.686 56.307 54.840 -0.364 0.000 0.747 51 L CB -0.577 41.218 42.059 -0.440 0.000 0.903 51 L HN 0.221 nan 8.230 nan 0.000 0.435 52 E N -0.138 119.990 120.200 -0.119 0.000 2.048 52 E HA -0.330 4.020 4.350 -0.001 0.000 0.202 52 E C 2.012 178.531 176.600 -0.134 0.000 1.021 52 E CA 2.084 58.422 56.400 -0.103 0.000 0.825 52 E CB -0.249 29.458 29.700 0.011 0.000 0.756 52 E HN 0.630 nan 8.360 nan 0.000 0.454 53 E N -0.517 119.619 120.200 -0.106 0.000 2.233 53 E HA -0.240 4.110 4.350 -0.001 0.000 0.199 53 E C 1.756 178.303 176.600 -0.088 0.000 1.004 53 E CA 0.903 57.251 56.400 -0.088 0.000 0.819 53 E CB -0.108 29.542 29.700 -0.083 0.000 0.738 53 E HN 0.391 nan 8.360 nan 0.000 0.478 54 A N 0.192 122.957 122.820 -0.092 0.000 1.984 54 A HA -0.012 4.308 4.320 -0.001 0.000 0.214 54 A C 2.335 179.895 177.584 -0.040 0.000 1.173 54 A CA 0.306 52.325 52.037 -0.031 0.000 0.673 54 A CB -0.057 18.950 19.000 0.012 0.000 0.830 54 A HN 0.104 nan 8.150 nan 0.000 0.453 55 V N 0.389 120.215 119.914 -0.147 0.000 2.343 55 V HA -0.266 3.853 4.120 -0.001 0.000 0.247 55 V C 2.396 178.361 176.094 -0.215 0.000 1.051 55 V CA 2.377 64.472 62.300 -0.342 0.000 1.036 55 V CB -0.689 30.778 31.823 -0.595 0.000 0.654 55 V HN 0.649 nan 8.190 nan 0.000 0.451 56 E N -0.396 119.719 120.200 -0.142 0.000 2.110 56 E HA -0.275 4.075 4.350 -0.001 0.000 0.193 56 E C 2.208 178.774 176.600 -0.058 0.000 0.988 56 E CA 1.390 57.739 56.400 -0.085 0.000 0.804 56 E CB -0.089 29.576 29.700 -0.059 0.000 0.745 56 E HN 0.516 nan 8.360 nan 0.000 0.458 57 E N 0.452 120.621 120.200 -0.051 0.000 2.152 57 E HA -0.108 4.241 4.350 -0.001 0.000 0.192 57 E C 1.893 178.492 176.600 -0.001 0.000 0.983 57 E CA 0.524 56.912 56.400 -0.020 0.000 0.818 57 E CB 0.055 29.746 29.700 -0.015 0.000 0.758 57 E HN 0.029 nan 8.360 nan 0.000 0.467 58 V N 0.957 120.847 119.914 -0.041 0.000 2.343 58 V HA -0.250 3.869 4.120 -0.001 0.000 0.247 58 V C 2.183 178.328 176.094 0.086 0.000 1.051 58 V CA 1.460 63.745 62.300 -0.024 0.000 1.036 58 V CB -0.462 31.259 31.823 -0.169 0.000 0.654 58 V HN 0.318 nan 8.190 nan 0.000 0.451 59 I N -0.040 120.532 120.570 0.002 0.000 2.233 59 I HA -0.132 4.038 4.170 -0.001 0.000 0.243 59 I C 2.306 178.433 176.117 0.018 0.000 1.093 59 I CA 1.454 62.760 61.300 0.010 0.000 1.380 59 I CB -1.397 36.586 38.000 -0.029 0.000 1.067 59 I HN 0.343 nan 8.210 nan 0.000 0.413 60 D N 1.133 121.537 120.400 0.008 0.000 2.117 60 D HA -0.124 4.516 4.640 -0.001 0.000 0.197 60 D C 2.288 178.597 176.300 0.015 0.000 0.987 60 D CA 1.878 55.880 54.000 0.003 0.000 0.829 60 D CB 0.067 40.864 40.800 -0.005 0.000 0.961 60 D HN 0.381 nan 8.370 nan 0.000 0.460 61 S N 0.159 115.893 115.700 0.056 0.000 2.436 61 S HA 0.005 4.474 4.470 -0.001 0.000 0.228 61 S C 2.192 176.801 174.600 0.016 0.000 1.014 61 S CA 0.914 59.160 58.200 0.076 0.000 0.950 61 S CB -0.464 62.826 63.200 0.151 0.000 0.784 61 S HN 0.225 nan 8.310 nan 0.000 0.504 62 G N 2.928 111.728 108.800 -0.000 0.000 2.480 62 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.216 62 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.216 62 G C 1.543 176.302 174.900 -0.235 0.000 1.200 62 G CA 0.986 45.852 45.100 -0.390 0.000 0.782 62 G HN 0.513 nan 8.290 nan 0.000 0.554 63 N N 0.572 119.210 118.700 -0.103 0.000 2.069 63 N HA -0.115 4.625 4.740 -0.001 0.000 0.191 63 N C 2.175 177.643 175.510 -0.070 0.000 1.031 63 N CA 1.511 54.516 53.050 -0.075 0.000 0.852 63 N CB -0.294 38.167 38.487 -0.043 0.000 1.018 63 N HN 0.397 nan 8.380 nan 0.000 0.423 64 E N 0.858 121.025 120.200 -0.055 0.000 2.110 64 E HA -0.098 4.252 4.350 -0.001 0.000 0.193 64 E C 1.907 178.473 176.600 -0.057 0.000 0.988 64 E CA 0.350 56.724 56.400 -0.043 0.000 0.804 64 E CB -0.285 29.403 29.700 -0.021 0.000 0.745 64 E HN 0.190 nan 8.360 nan 0.000 0.458 65 L N -0.279 120.887 121.223 -0.095 0.000 2.042 65 L HA -0.153 4.187 4.340 -0.001 0.000 0.210 65 L C 2.081 178.907 176.870 -0.074 0.000 1.076 65 L CA 1.531 56.312 54.840 -0.097 0.000 0.749 65 L CB -0.613 41.327 42.059 -0.198 0.000 0.893 65 L HN 0.085 nan 8.230 nan 0.000 0.432 66 V N 0.146 120.002 119.914 -0.097 0.000 2.392 66 V HA -0.302 3.817 4.120 -0.001 0.000 0.249 66 V C 2.739 178.810 176.094 -0.038 0.000 1.059 66 V CA 2.219 64.484 62.300 -0.059 0.000 1.051 66 V CB -0.836 30.945 31.823 -0.069 0.000 0.658 66 V HN 0.488 nan 8.190 nan 0.000 0.455 67 R N 0.790 121.264 120.500 -0.044 0.000 2.062 67 R HA 0.012 4.351 4.340 -0.001 0.000 0.229 67 R C 0.862 177.132 176.300 -0.050 0.000 1.128 67 R CA 1.382 57.457 56.100 -0.042 0.000 0.960 67 R CB -0.146 30.131 30.300 -0.038 0.000 0.855 67 R HN 0.636 nan 8.270 nan 0.000 0.432 68 S N 0.561 116.233 115.700 -0.048 0.000 2.779 68 S HA 0.342 4.811 4.470 -0.001 0.000 0.293 68 S C -2.784 171.793 174.600 -0.038 0.000 1.150 68 S CA -1.679 56.484 58.200 -0.062 0.000 1.057 68 S CB 2.386 65.551 63.200 -0.060 0.000 1.021 68 S HN -0.128 nan 8.310 nan 0.000 0.485 69 P HA 0.188 nan 4.420 nan 0.000 0.226 69 P C 0.551 177.902 177.300 0.084 0.000 1.783 69 P CA -0.073 63.072 63.100 0.075 0.000 0.980 69 P CB -0.683 31.169 31.700 0.253 0.000 1.967 70 T N -1.260 113.316 114.554 0.036 0.000 2.754 70 T HA 0.240 4.589 4.350 -0.001 0.000 0.286 70 T C -1.627 173.118 174.700 0.075 0.000 0.997 70 T CA -1.671 60.453 62.100 0.039 0.000 0.982 70 T CB 0.010 68.887 68.868 0.015 0.000 1.027 70 T HN -0.084 nan 8.240 nan 0.000 0.529 71 P HA -0.041 nan 4.420 nan 0.000 0.217 71 P C 1.978 179.310 177.300 0.053 0.000 1.151 71 P CA 1.017 64.157 63.100 0.067 0.000 0.828 71 P CB -0.104 31.630 31.700 0.056 0.000 0.788 72 S N -0.571 115.154 115.700 0.040 0.000 2.382 72 S HA -0.142 4.327 4.470 -0.001 0.000 0.228 72 S C 1.849 176.474 174.600 0.043 0.000 1.027 72 S CA 1.318 59.539 58.200 0.035 0.000 0.991 72 S CB -1.053 62.161 63.200 0.023 0.000 0.823 72 S HN 0.023 nan 8.310 nan 0.000 0.469 73 N N 1.242 119.968 118.700 0.044 0.000 2.376 73 N HA 0.036 4.776 4.740 -0.001 0.000 0.177 73 N C 1.593 177.153 175.510 0.083 0.000 1.024 73 N CA 0.785 53.865 53.050 0.050 0.000 0.893 73 N CB -0.607 37.895 38.487 0.025 0.000 0.980 73 N HN 0.395 nan 8.380 nan 0.000 0.439 74 L N 1.796 123.072 121.223 0.088 0.000 2.131 74 L HA -0.082 4.257 4.340 -0.001 0.000 0.210 74 L C 1.657 178.616 176.870 0.148 0.000 1.092 74 L CA 1.729 56.642 54.840 0.121 0.000 0.759 74 L CB -0.225 41.895 42.059 0.102 0.000 0.903 74 L HN -0.012 nan 8.230 nan 0.000 0.435 75 K N -1.179 119.281 120.400 0.100 0.000 2.211 75 K HA -0.038 4.282 4.320 -0.001 0.000 0.201 75 K C 2.174 178.818 176.600 0.073 0.000 1.052 75 K CA 0.440 56.773 56.287 0.076 0.000 0.973 75 K CB -0.150 32.380 32.500 0.050 0.000 0.766 75 K HN 0.208 nan 8.250 nan 0.000 0.466 76 R N 0.366 120.914 120.500 0.080 0.000 2.133 76 R HA -0.228 4.111 4.340 -0.001 0.000 0.247 76 R C 2.091 178.458 176.300 0.112 0.000 1.151 76 R CA 1.611 57.757 56.100 0.076 0.000 0.971 76 R CB -0.247 30.097 30.300 0.073 0.000 0.866 76 R HN 0.216 nan 8.270 nan 0.000 0.447 77 Y N 1.257 121.558 120.300 0.002 0.000 2.092 77 Y HA -0.181 4.369 4.550 -0.000 0.000 0.282 77 Y C 2.065 177.965 175.900 -0.001 0.000 1.126 77 Y CA 1.547 59.645 58.100 -0.003 0.000 1.111 77 Y CB -0.203 38.257 38.460 -0.001 0.000 0.987 77 Y HN -0.099 nan 8.280 nan 0.000 0.489 78 K N -0.012 120.363 120.400 -0.041 0.000 2.044 78 K HA -0.226 4.093 4.320 -0.001 0.000 0.210 78 K C 1.745 178.293 176.600 -0.087 0.000 1.049 78 K CA 1.657 57.885 56.287 -0.098 0.000 0.927 78 K CB -0.466 32.031 32.500 -0.006 0.000 0.713 78 K HN 0.378 nan 8.250 nan 0.000 0.443 79 N N 1.033 119.713 118.700 -0.033 0.000 2.043 79 N HA -0.167 4.573 4.740 -0.001 0.000 0.193 79 N C 1.853 177.339 175.510 -0.040 0.000 1.037 79 N CA 1.604 54.639 53.050 -0.025 0.000 0.851 79 N CB -0.576 37.910 38.487 -0.002 0.000 1.027 79 N HN 0.221 nan 8.380 nan 0.000 0.422 80 A N 1.246 124.038 122.820 -0.046 0.000 1.908 80 A HA -0.097 4.222 4.320 -0.001 0.000 0.218 80 A C 2.376 179.921 177.584 -0.066 0.000 1.181 80 A CA 1.124 53.134 52.037 -0.045 0.000 0.627 80 A CB -0.759 18.222 19.000 -0.033 0.000 0.818 80 A HN 0.257 nan 8.150 nan 0.000 0.445 81 I N -0.872 119.598 120.570 -0.166 0.000 2.315 81 I HA -0.231 3.938 4.170 -0.001 0.000 0.248 81 I C 2.514 178.612 176.117 -0.031 0.000 1.117 81 I CA 1.139 62.355 61.300 -0.140 0.000 1.404 81 I CB -0.255 37.564 38.000 -0.302 0.000 1.071 81 I HN 0.302 nan 8.210 nan 0.000 0.419 82 K N 0.670 121.038 120.400 -0.054 0.000 2.001 82 K HA -0.262 4.057 4.320 -0.001 0.000 0.214 82 K C 2.080 178.665 176.600 -0.025 0.000 1.050 82 K CA 1.877 58.145 56.287 -0.032 0.000 0.934 82 K CB -0.181 32.300 32.500 -0.031 0.000 0.718 82 K HN 0.144 nan 8.250 nan 0.000 0.443 83 E N 0.172 120.360 120.200 -0.020 0.000 2.077 83 E HA -0.167 4.183 4.350 -0.001 0.000 0.193 83 E C 1.653 178.225 176.600 -0.046 0.000 0.989 83 E CA 1.007 57.389 56.400 -0.030 0.000 0.800 83 E CB -0.336 29.350 29.700 -0.023 0.000 0.746 83 E HN 0.256 nan 8.360 nan 0.000 0.452 84 F N 0.674 120.557 119.950 -0.112 0.000 2.120 84 F HA -0.211 4.316 4.527 -0.000 0.000 0.300 84 F C 1.709 177.455 175.800 -0.090 0.000 1.095 84 F CA 1.435 59.360 58.000 -0.125 0.000 1.249 84 F CB -0.129 38.780 39.000 -0.152 0.000 0.995 84 F HN -0.005 nan 8.300 nan 0.000 0.480 85 L N -0.173 120.969 121.223 -0.135 0.000 2.201 85 L HA -0.184 4.155 4.340 -0.001 0.000 0.212 85 L C 2.376 179.129 176.870 -0.195 0.000 1.105 85 L CA 1.154 55.892 54.840 -0.171 0.000 0.775 85 L CB -0.682 41.355 42.059 -0.037 0.000 0.913 85 L HN 0.117 nan 8.230 nan 0.000 0.440 86 K N 0.397 120.709 120.400 -0.146 0.000 1.985 86 K HA -0.155 4.165 4.320 -0.001 0.000 0.210 86 K C 2.106 178.651 176.600 -0.093 0.000 1.047 86 K CA 1.270 57.503 56.287 -0.089 0.000 0.932 86 K CB -0.280 32.193 32.500 -0.045 0.000 0.716 86 K HN 0.142 nan 8.250 nan 0.000 0.439 87 L N 0.585 121.713 121.223 -0.158 0.000 1.989 87 L HA -0.217 4.122 4.340 -0.001 0.000 0.211 87 L C 2.480 179.339 176.870 -0.019 0.000 1.071 87 L CA 1.007 55.804 54.840 -0.072 0.000 0.749 87 L CB -0.391 41.473 42.059 -0.326 0.000 0.890 87 L HN 0.144 nan 8.230 nan 0.000 0.431 88 I N -0.391 119.974 120.570 -0.342 0.000 2.286 88 I HA -0.281 3.888 4.170 -0.001 0.000 0.248 88 I C 2.493 178.514 176.117 -0.160 0.000 1.115 88 I CA 1.405 62.561 61.300 -0.240 0.000 1.392 88 I CB -0.219 37.546 38.000 -0.390 0.000 1.065 88 I HN 0.267 nan 8.210 nan 0.000 0.418 89 E N 0.393 120.465 120.200 -0.213 0.000 2.035 89 E HA -0.324 4.025 4.350 -0.001 0.000 0.204 89 E C 2.223 178.681 176.600 -0.236 0.000 1.025 89 E CA 1.934 58.145 56.400 -0.316 0.000 0.835 89 E CB -0.120 29.432 29.700 -0.246 0.000 0.764 89 E HN 0.473 nan 8.360 nan 0.000 0.457 90 K N 0.547 120.911 120.400 -0.060 0.000 2.015 90 K HA -0.251 4.068 4.320 -0.001 0.000 0.216 90 K C 2.314 178.873 176.600 -0.068 0.000 1.052 90 K CA 1.626 57.896 56.287 -0.027 0.000 0.937 90 K CB -0.317 32.166 32.500 -0.028 0.000 0.719 90 K HN 0.020 nan 8.250 nan 0.000 0.446 91 K N 0.954 121.353 120.400 -0.001 0.000 2.032 91 K HA -0.171 4.148 4.320 -0.001 0.000 0.209 91 K C 2.178 178.778 176.600 -0.001 0.000 1.048 91 K CA 1.514 57.809 56.287 0.012 0.000 0.927 91 K CB -0.137 32.494 32.500 0.220 0.000 0.712 91 K HN 0.069 nan 8.250 nan 0.000 0.441 92 I N 0.323 120.868 120.570 -0.042 0.000 2.252 92 I HA -0.271 3.898 4.170 -0.001 0.000 0.245 92 I C 1.843 177.986 176.117 0.043 0.000 1.102 92 I CA 0.880 62.159 61.300 -0.036 0.000 1.385 92 I CB -0.192 37.752 38.000 -0.093 0.000 1.064 92 I HN 0.146 nan 8.210 nan 0.000 0.414 93 Y N 0.993 121.288 120.300 -0.009 0.000 2.232 93 Y HA -0.104 4.445 4.550 -0.001 0.000 0.256 93 Y C 1.461 177.341 175.900 -0.034 0.000 1.061 93 Y CA 0.364 58.453 58.100 -0.018 0.000 1.059 93 Y CB -1.115 37.332 38.460 -0.021 0.000 1.011 93 Y HN -0.096 nan 8.280 nan 0.000 0.472 94 K N 1.689 122.177 120.400 0.147 0.000 2.717 94 K HA -0.106 4.213 4.320 -0.001 0.000 0.205 94 K C -0.666 175.934 176.600 0.001 0.000 0.844 94 K CA 0.552 56.852 56.287 0.023 0.000 1.196 94 K CB -1.194 31.276 32.500 -0.050 0.000 0.930 94 K HN 0.227 nan 8.250 nan 0.000 0.280 103 S N -0.536 115.186 115.700 0.037 0.000 2.371 103 S HA 0.071 4.541 4.470 -0.001 0.000 0.224 103 S C 1.854 176.479 174.600 0.042 0.000 1.029 103 S CA 1.626 59.847 58.200 0.035 0.000 0.978 103 S CB -0.547 62.669 63.200 0.027 0.000 0.833 103 S HN 0.503 nan 8.310 nan 0.000 0.466 104 G N 1.788 110.613 108.800 0.043 0.000 2.491 104 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.218 104 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.218 104 G C 1.478 176.408 174.900 0.051 0.000 1.180 104 G CA 0.669 45.795 45.100 0.043 0.000 0.774 104 G HN 0.494 nan 8.290 nan 0.000 0.562 105 R N 0.507 121.054 120.500 0.078 0.000 2.148 105 R HA 0.148 4.488 4.340 -0.001 0.000 0.227 105 R C 2.865 179.231 176.300 0.109 0.000 1.103 105 R CA 0.880 57.047 56.100 0.111 0.000 0.983 105 R CB -0.221 30.201 30.300 0.204 0.000 0.874 105 R HN 0.382 nan 8.270 nan 0.000 0.451 106 A N 1.371 124.243 122.820 0.087 0.000 1.898 106 A HA -0.068 4.252 4.320 -0.001 0.000 0.214 106 A C 2.029 179.671 177.584 0.096 0.000 1.183 106 A CA 0.596 52.686 52.037 0.090 0.000 0.622 106 A CB -0.166 18.869 19.000 0.058 0.000 0.824 106 A HN 0.144 nan 8.150 nan 0.000 0.444 107 R N -0.875 119.666 120.500 0.068 0.000 2.088 107 R HA -0.169 4.170 4.340 -0.001 0.000 0.232 107 R C 2.082 178.417 176.300 0.058 0.000 1.136 107 R CA 1.545 57.679 56.100 0.057 0.000 0.926 107 R CB -1.026 29.301 30.300 0.044 0.000 0.837 107 R HN 0.421 nan 8.270 nan 0.000 0.429 108 L N 0.719 121.970 121.223 0.047 0.000 2.095 108 L HA -0.347 3.993 4.340 -0.001 0.000 0.229 108 L C 2.372 179.272 176.870 0.049 0.000 1.097 108 L CA 2.492 57.349 54.840 0.028 0.000 0.813 108 L CB -0.788 41.258 42.059 -0.021 0.000 0.907 108 L HN 0.300 nan 8.230 nan 0.000 0.445 109 H N -1.691 117.386 119.070 0.011 0.000 2.421 109 H HA -0.095 4.460 4.556 -0.001 0.000 0.298 109 H C 1.914 177.253 175.328 0.018 0.000 1.087 109 H CA 2.115 58.175 56.048 0.021 0.000 1.330 109 H CB 0.000 29.785 29.762 0.038 0.000 1.388 109 H HN 0.456 nan 8.280 nan 0.000 0.526 110 L N -1.249 119.994 121.223 0.034 0.000 2.416 110 L HA 0.036 4.376 4.340 -0.001 0.000 0.216 110 L C 2.160 179.010 176.870 -0.034 0.000 1.098 110 L CA 0.091 54.928 54.840 -0.005 0.000 0.840 110 L CB 0.294 42.390 42.059 0.063 0.000 0.981 110 L HN 0.142 nan 8.230 nan 0.000 0.462 111 V N -0.802 119.103 119.914 -0.016 0.000 2.346 111 V HA -0.161 3.958 4.120 -0.001 0.000 0.244 111 V C 2.413 178.489 176.094 -0.030 0.000 1.037 111 V CA 1.088 63.382 62.300 -0.009 0.000 1.029 111 V CB 0.213 32.046 31.823 0.017 0.000 0.663 111 V HN 0.123 nan 8.190 nan 0.000 0.454 112 V N -0.028 119.859 119.914 -0.046 0.000 2.250 112 V HA -0.375 3.745 4.120 -0.001 0.000 0.250 112 V C 2.459 178.493 176.094 -0.100 0.000 1.060 112 V CA 2.505 64.765 62.300 -0.067 0.000 1.030 112 V CB -0.691 31.083 31.823 -0.081 0.000 0.643 112 V HN 0.611 nan 8.190 nan 0.000 0.445 113 E N -0.592 119.507 120.200 -0.168 0.000 2.114 113 E HA -0.318 4.031 4.350 -0.001 0.000 0.199 113 E C 2.343 178.899 176.600 -0.072 0.000 1.008 113 E CA 1.911 58.224 56.400 -0.145 0.000 0.810 113 E CB -0.127 29.463 29.700 -0.184 0.000 0.739 113 E HN 0.672 nan 8.360 nan 0.000 0.456 114 E N -0.269 119.900 120.200 -0.052 0.000 2.072 114 E HA -0.154 4.195 4.350 -0.001 0.000 0.191 114 E C 2.151 178.737 176.600 -0.022 0.000 0.985 114 E CA 0.813 57.197 56.400 -0.027 0.000 0.801 114 E CB 0.208 29.899 29.700 -0.015 0.000 0.750 114 E HN 0.078 nan 8.360 nan 0.000 0.452 115 V N 2.083 121.982 119.914 -0.026 0.000 2.295 115 V HA -0.279 3.840 4.120 -0.001 0.000 0.246 115 V C 1.932 178.010 176.094 -0.026 0.000 1.049 115 V CA 1.755 64.041 62.300 -0.023 0.000 1.024 115 V CB -0.471 31.335 31.823 -0.029 0.000 0.648 115 V HN 0.314 nan 8.190 nan 0.000 0.447 116 N N -0.296 118.384 118.700 -0.034 0.000 2.166 116 N HA -0.151 4.589 4.740 -0.001 0.000 0.186 116 N C 1.829 177.326 175.510 -0.021 0.000 1.019 116 N CA 1.072 54.103 53.050 -0.031 0.000 0.856 116 N CB -0.295 38.169 38.487 -0.037 0.000 0.993 116 N HN 0.498 nan 8.380 nan 0.000 0.426 117 E N 1.184 121.371 120.200 -0.021 0.000 2.118 117 E HA -0.128 4.222 4.350 -0.001 0.000 0.195 117 E C 1.640 178.235 176.600 -0.008 0.000 0.992 117 E CA 0.922 57.313 56.400 -0.015 0.000 0.804 117 E CB 0.114 29.805 29.700 -0.014 0.000 0.741 117 E HN 0.404 nan 8.360 nan 0.000 0.458 118 K N 0.383 120.781 120.400 -0.003 0.000 2.076 118 K HA 0.016 4.335 4.320 -0.001 0.000 0.204 118 K C 2.451 179.062 176.600 0.020 0.000 1.051 118 K CA 0.236 56.528 56.287 0.008 0.000 0.949 118 K CB -0.355 32.155 32.500 0.016 0.000 0.726 118 K HN 0.162 nan 8.250 nan 0.000 0.443 119 L N 0.748 121.984 121.223 0.022 0.000 2.081 119 L HA -0.192 4.147 4.340 -0.001 0.000 0.212 119 L C 2.599 179.479 176.870 0.015 0.000 1.080 119 L CA 1.392 56.251 54.840 0.031 0.000 0.754 119 L CB -0.414 41.648 42.059 0.005 0.000 0.893 119 L HN 0.208 nan 8.230 nan 0.000 0.433 120 M N -1.145 118.455 119.600 0.000 0.000 2.236 120 M HA -0.132 4.347 4.480 -0.001 0.000 0.266 120 M C 1.716 178.007 176.300 -0.015 0.000 1.070 120 M CA 1.144 56.440 55.300 -0.007 0.000 1.137 120 M CB -0.319 32.275 32.600 -0.010 0.000 1.378 120 M HN 0.135 nan 8.290 nan 0.000 0.426 121 D N 0.939 121.330 120.400 -0.015 0.000 2.092 121 D HA -0.162 4.478 4.640 -0.001 0.000 0.193 121 D C 1.866 178.144 176.300 -0.036 0.000 0.994 121 D CA 1.116 55.101 54.000 -0.026 0.000 0.828 121 D CB -0.542 40.245 40.800 -0.021 0.000 0.963 121 D HN 0.153 nan 8.370 nan 0.000 0.450 122 L N 1.335 122.546 121.223 -0.019 0.000 1.944 122 L HA -0.198 4.141 4.340 -0.001 0.000 0.218 122 L C 2.130 178.968 176.870 -0.053 0.000 1.075 122 L CA 2.156 56.980 54.840 -0.028 0.000 0.767 122 L CB -1.505 40.569 42.059 0.024 0.000 0.890 122 L HN 0.019 nan 8.230 nan 0.000 0.434 123 T N -0.119 114.422 114.554 -0.021 0.000 2.624 123 T HA -0.341 4.009 4.350 -0.001 0.000 0.266 123 T C 1.762 176.424 174.700 -0.063 0.000 1.050 123 T CA 2.057 64.141 62.100 -0.028 0.000 1.163 123 T CB -0.457 68.408 68.868 -0.005 0.000 0.861 123 T HN 0.552 nan 8.240 nan 0.000 0.443 124 E N 0.253 120.417 120.200 -0.060 0.000 2.267 124 E HA -0.157 4.192 4.350 -0.001 0.000 0.197 124 E C 2.115 178.645 176.600 -0.116 0.000 0.998 124 E CA 1.023 57.381 56.400 -0.069 0.000 0.830 124 E CB 0.039 29.706 29.700 -0.054 0.000 0.751 124 E HN 0.391 nan 8.360 nan 0.000 0.491 125 K N -0.404 119.899 120.400 -0.161 0.000 2.287 125 K HA 0.165 4.485 4.320 -0.001 0.000 0.199 125 K C 1.945 178.283 176.600 -0.437 0.000 1.061 125 K CA 0.006 56.147 56.287 -0.244 0.000 0.976 125 K CB 0.255 32.631 32.500 -0.206 0.000 0.898 125 K HN 0.042 nan 8.250 nan 0.000 0.492 126 I N 0.931 121.240 120.570 -0.436 0.000 2.248 126 I HA -0.339 3.831 4.170 -0.001 0.000 0.248 126 I C 2.265 178.204 176.117 -0.296 0.000 1.107 126 I CA 1.474 62.440 61.300 -0.558 0.000 1.373 126 I CB -0.131 37.741 38.000 -0.213 0.000 1.055 126 I HN 0.302 nan 8.210 nan 0.000 0.418 127 M N 0.005 119.507 119.600 -0.163 0.000 2.193 127 M HA -0.116 4.363 4.480 -0.001 0.000 0.265 127 M C 1.862 178.116 176.300 -0.076 0.000 1.071 127 M CA 1.353 56.611 55.300 -0.069 0.000 1.140 127 M CB -0.108 32.469 32.600 -0.039 0.000 1.369 127 M HN 0.021 nan 8.290 nan 0.000 0.423 128 K N 0.635 120.961 120.400 -0.122 0.000 2.574 128 K HA -0.029 4.290 4.320 -0.001 0.000 0.193 128 K C -0.094 176.427 176.600 -0.133 0.000 1.035 128 K CA 0.351 56.574 56.287 -0.108 0.000 0.982 128 K CB -0.670 31.760 32.500 -0.117 0.000 0.795 128 K HN 0.405 nan 8.250 nan 0.000 0.491 129 N N 2.216 120.788 118.700 -0.213 0.000 2.705 129 N HA -0.166 4.573 4.740 -0.001 0.000 0.255 129 N C -0.896 174.391 175.510 -0.372 0.000 1.008 129 N CA 0.744 53.648 53.050 -0.243 0.000 0.742 129 N CB -1.065 37.541 38.487 0.200 0.000 0.906 129 N HN 0.478 nan 8.380 nan 0.000 0.541 130 E N -0.821 119.029 120.200 -0.584 0.000 2.464 130 E HA 0.059 4.408 4.350 -0.001 0.000 0.260 130 E C 0.423 176.835 176.600 -0.313 0.000 1.318 130 E CA -0.427 55.788 56.400 -0.308 0.000 1.571 130 E CB -0.123 29.446 29.700 -0.219 0.000 1.525 130 E HN 0.427 nan 8.360 nan 0.000 0.449 131 W N 0.280 121.575 121.300 -0.008 0.000 2.421 131 W HA -0.147 4.512 4.660 -0.001 0.000 0.270 131 W C 1.941 178.453 176.519 -0.011 0.000 1.233 131 W CA 0.447 57.785 57.345 -0.011 0.000 1.226 131 W CB 0.009 29.462 29.460 -0.012 0.000 1.121 131 W HN 0.336 nan 8.180 nan 0.000 0.579 132 Q N -0.805 119.094 119.800 0.165 0.000 2.425 132 Q HA -0.021 4.318 4.340 -0.001 0.000 0.204 132 Q C 1.839 177.864 176.000 0.043 0.000 0.933 132 Q CA 1.506 57.367 55.803 0.096 0.000 0.939 132 Q CB 0.143 28.928 28.738 0.079 0.000 1.044 132 Q HN 0.293 nan 8.270 nan 0.000 0.513 133 T N -3.133 111.426 114.554 0.009 0.000 2.975 133 T HA 0.166 4.516 4.350 -0.001 0.000 0.257 133 T C 1.517 176.200 174.700 -0.027 0.000 1.003 133 T CA -0.373 61.720 62.100 -0.011 0.000 0.932 133 T CB 0.021 68.875 68.868 -0.023 0.000 1.087 133 T HN 0.162 nan 8.240 nan 0.000 0.512 134 I N 2.002 122.543 120.570 -0.048 0.000 2.091 134 I HA -0.325 3.844 4.170 -0.001 0.000 0.240 134 I C -0.067 176.033 176.117 -0.029 0.000 1.046 134 I CA 1.650 62.906 61.300 -0.073 0.000 1.306 134 I CB -0.332 37.587 38.000 -0.135 0.000 1.018 134 I HN 0.271 nan 8.210 nan 0.000 0.404 135 N N 0.270 118.973 118.700 0.006 0.000 2.746 135 N HA -0.215 4.525 4.740 -0.001 0.000 0.250 135 N C 0.410 175.922 175.510 0.003 0.000 1.055 135 N CA 0.856 53.910 53.050 0.007 0.000 0.699 135 N CB -1.630 36.855 38.487 -0.003 0.000 0.919 135 N HN 0.348 nan 8.380 nan 0.000 0.548 136 L N 0.166 121.401 121.223 0.019 0.000 2.056 136 L HA 0.020 4.359 4.340 -0.001 0.000 0.207 136 L C 2.238 179.097 176.870 -0.018 0.000 1.078 136 L CA 2.543 57.387 54.840 0.007 0.000 0.749 136 L CB -0.625 41.466 42.059 0.053 0.000 0.901 136 L HN 0.417 nan 8.230 nan 0.000 0.433 137 A N -0.388 122.425 122.820 -0.012 0.000 1.883 137 A HA -0.180 4.140 4.320 -0.001 0.000 0.217 137 A C 2.433 180.002 177.584 -0.026 0.000 1.186 137 A CA 2.138 54.159 52.037 -0.027 0.000 0.624 137 A CB -1.226 17.764 19.000 -0.017 0.000 0.822 137 A HN 0.568 nan 8.150 nan 0.000 0.444 138 A N -0.716 122.095 122.820 -0.014 0.000 1.929 138 A HA -0.075 4.245 4.320 -0.001 0.000 0.216 138 A C 2.189 179.768 177.584 -0.008 0.000 1.176 138 A CA 1.202 53.233 52.037 -0.010 0.000 0.628 138 A CB -0.434 18.562 19.000 -0.006 0.000 0.816 138 A HN 0.530 nan 8.150 nan 0.000 0.444 139 R N -0.587 119.907 120.500 -0.010 0.000 2.117 139 R HA -0.109 4.230 4.340 -0.001 0.000 0.243 139 R C 1.774 178.079 176.300 0.007 0.000 1.143 139 R CA 1.709 57.808 56.100 -0.002 0.000 0.968 139 R CB -0.445 29.849 30.300 -0.009 0.000 0.863 139 R HN 0.583 nan 8.270 nan 0.000 0.444 140 I N 0.122 120.677 120.570 -0.025 0.000 2.584 140 I HA -0.149 4.021 4.170 -0.001 0.000 0.255 140 I C 1.907 178.027 176.117 0.005 0.000 1.145 140 I CA 0.933 62.215 61.300 -0.029 0.000 1.462 140 I CB -0.084 37.818 38.000 -0.163 0.000 1.102 140 I HN 0.136 nan 8.210 nan 0.000 0.433 141 E N 0.777 120.972 120.200 -0.008 0.000 2.085 141 E HA -0.302 4.048 4.350 -0.001 0.000 0.194 141 E C 2.025 178.630 176.600 0.008 0.000 0.994 141 E CA 1.576 57.975 56.400 -0.002 0.000 0.801 141 E CB -0.061 29.635 29.700 -0.007 0.000 0.743 141 E HN 0.488 nan 8.360 nan 0.000 0.453 142 E N 0.854 121.061 120.200 0.011 0.000 2.047 142 E HA -0.206 4.143 4.350 -0.001 0.000 0.191 142 E C 2.040 178.654 176.600 0.022 0.000 0.987 142 E CA 1.089 57.497 56.400 0.013 0.000 0.799 142 E CB -0.102 29.604 29.700 0.010 0.000 0.752 142 E HN 0.222 nan 8.360 nan 0.000 0.449 143 I N 1.512 122.110 120.570 0.048 0.000 2.202 143 I HA -0.265 3.905 4.170 -0.001 0.000 0.242 143 I C 2.042 178.176 176.117 0.029 0.000 1.091 143 I CA 1.037 62.372 61.300 0.058 0.000 1.368 143 I CB -0.422 37.658 38.000 0.133 0.000 1.058 143 I HN 0.145 nan 8.210 nan 0.000 0.410 144 N N 1.281 120.013 118.700 0.054 0.000 2.091 144 N HA -0.178 4.561 4.740 -0.001 0.000 0.193 144 N C 1.899 177.388 175.510 -0.035 0.000 1.021 144 N CA 1.657 54.703 53.050 -0.008 0.000 0.862 144 N CB -1.017 37.474 38.487 0.007 0.000 1.018 144 N HN 0.463 nan 8.380 nan 0.000 0.429 145 G N 0.895 109.688 108.800 -0.011 0.000 2.440 145 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.218 145 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.218 145 G C 1.515 176.407 174.900 -0.013 0.000 1.154 145 G CA 0.536 45.630 45.100 -0.009 0.000 0.767 145 G HN 0.286 nan 8.290 nan 0.000 0.552 146 L N -0.243 120.972 121.223 -0.014 0.000 2.217 146 L HA 0.140 4.480 4.340 -0.001 0.000 0.211 146 L C 2.695 179.552 176.870 -0.022 0.000 1.107 146 L CA 0.236 55.071 54.840 -0.008 0.000 0.783 146 L CB -0.209 41.848 42.059 -0.003 0.000 0.919 146 L HN 0.175 nan 8.230 nan 0.000 0.442 147 I N -0.389 120.127 120.570 -0.090 0.000 2.406 147 I HA -0.240 3.930 4.170 -0.001 0.000 0.249 147 I C 2.266 178.261 176.117 -0.204 0.000 1.122 147 I CA 1.071 62.241 61.300 -0.217 0.000 1.431 147 I CB -0.030 37.713 38.000 -0.428 0.000 1.087 147 I HN 0.154 nan 8.210 nan 0.000 0.424 148 L N 0.240 121.392 121.223 -0.118 0.000 2.141 148 L HA -0.187 4.152 4.340 -0.001 0.000 0.209 148 L C 2.023 178.940 176.870 0.078 0.000 1.094 148 L CA 1.495 56.341 54.840 0.009 0.000 0.763 148 L CB -0.858 41.207 42.059 0.011 0.000 0.908 148 L HN 0.328 nan 8.230 nan 0.000 0.437 149 N N 0.321 119.049 118.700 0.047 0.000 2.018 149 N HA -0.230 4.509 4.740 -0.001 0.000 0.196 149 N C 1.931 177.503 175.510 0.102 0.000 1.043 149 N CA 1.144 54.229 53.050 0.059 0.000 0.856 149 N CB -0.289 38.223 38.487 0.041 0.000 1.042 149 N HN 0.196 nan 8.380 nan 0.000 0.423 150 L N 0.051 121.354 121.223 0.133 0.000 2.034 150 L HA -0.280 4.059 4.340 -0.001 0.000 0.217 150 L C 2.420 179.496 176.870 0.343 0.000 1.077 150 L CA 1.409 56.381 54.840 0.221 0.000 0.769 150 L CB -0.579 41.670 42.059 0.317 0.000 0.890 150 L HN 0.365 nan 8.230 nan 0.000 0.435 151 Y N 1.651 122.081 120.300 0.216 0.000 2.274 151 Y HA -0.204 4.346 4.550 -0.001 0.000 0.290 151 Y C 2.130 178.098 175.900 0.114 0.000 1.145 151 Y CA 1.090 59.330 58.100 0.233 0.000 1.203 151 Y CB -0.331 38.202 38.460 0.120 0.000 0.984 151 Y HN 0.241 nan 8.280 nan 0.000 0.533 152 R N 0.940 121.481 120.500 0.068 0.000 4.394 152 R HA 0.314 4.654 4.340 -0.001 0.000 0.257 152 R C -0.593 175.702 176.300 -0.009 0.000 1.727 152 R CA 0.071 56.134 56.100 -0.063 0.000 1.497 152 R CB -0.108 30.164 30.300 -0.047 0.000 1.406 152 R HN 0.252 nan 8.270 nan 0.000 0.745 153 E N 0.000 120.211 120.200 0.018 0.000 2.725 153 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 153 E CA 0.000 56.421 56.400 0.035 0.000 0.976 153 E CB 0.000 29.732 29.700 0.054 0.000 0.812 153 E HN 0.000 nan 8.360 nan 0.000 0.440