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 3grc_1_D DATA FIRST_RESID 546 DATA SEQUENCE PRPRILICED DPDIARLLNL XLEKGGFDSD XVHSAAQALE QVARRPYAAX DATA SEQUENCE TVDLNLPDQD GVSLIRALRR DSRTRDLAIV VVSANAREGE LEFNSQPLAV DATA SEQUENCE STWLEKPIDE NLLILSLHRA IDNXA 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 546 P HA 0.000 nan 4.420 nan 0.000 0.216 546 P C 0.000 177.300 177.300 -0.000 0.000 1.155 546 P CA 0.000 63.092 63.100 -0.014 0.000 0.800 546 P CB 0.000 31.698 31.700 -0.004 0.000 0.726 547 R N 1.385 121.892 120.500 0.012 0.000 3.275 547 R HA 0.340 4.680 4.340 -0.001 0.000 0.154 547 R C -1.864 174.471 176.300 0.058 0.000 0.843 547 R CA 0.565 56.678 56.100 0.022 0.000 1.027 547 R CB -1.129 29.178 30.300 0.012 0.000 1.423 547 R HN 0.173 nan 8.270 nan 0.000 0.530 548 P HA 0.173 nan 4.420 nan 0.000 0.271 548 P C -1.266 176.148 177.300 0.188 0.000 1.233 548 P CA 0.163 63.369 63.100 0.175 0.000 0.764 548 P CB 0.869 32.763 31.700 0.324 0.000 0.825 549 R N 3.735 124.291 120.500 0.093 0.000 2.312 549 R HA 0.538 4.877 4.340 -0.001 0.000 0.311 549 R C -0.639 175.781 176.300 0.201 0.000 1.004 549 R CA -0.514 55.644 56.100 0.098 0.000 0.902 549 R CB 0.468 30.728 30.300 -0.067 0.000 1.073 549 R HN 0.449 nan 8.270 nan 0.000 0.457 550 I N 4.915 125.603 120.570 0.197 0.000 2.474 550 I HA 0.246 4.415 4.170 -0.001 0.000 0.294 550 I C -0.871 175.272 176.117 0.044 0.000 1.005 550 I CA -1.272 60.081 61.300 0.090 0.000 1.113 550 I CB 1.950 39.871 38.000 -0.132 0.000 1.289 550 I HN 0.457 nan 8.210 nan 0.000 0.436 551 L N 7.740 128.819 121.223 -0.240 0.000 2.257 551 L HA 0.495 4.834 4.340 -0.001 0.000 0.290 551 L C -0.548 176.149 176.870 -0.290 0.000 1.044 551 L CA 0.077 54.614 54.840 -0.505 0.000 0.810 551 L CB 0.613 42.079 42.059 -0.989 0.000 1.193 551 L HN 0.366 nan 8.230 nan 0.000 0.425 552 I N 5.383 125.828 120.570 -0.209 0.000 2.304 552 I HA 0.186 4.355 4.170 -0.001 0.000 0.291 552 I C -0.320 175.700 176.117 -0.161 0.000 1.018 552 I CA -0.199 61.008 61.300 -0.156 0.000 1.260 552 I CB 0.985 38.924 38.000 -0.101 0.000 1.390 552 I HN 0.597 nan 8.210 nan 0.000 0.475 553 C N 6.843 126.058 119.300 -0.141 0.000 2.206 553 C HA 0.554 5.013 4.460 -0.001 0.000 0.324 553 C C -0.183 174.774 174.990 -0.055 0.000 1.120 553 C CA -0.085 58.865 59.018 -0.114 0.000 1.546 553 C CB -0.837 26.834 27.740 -0.115 0.000 2.023 553 C HN 0.797 nan 8.230 nan 0.000 0.448 554 E N 3.092 123.285 120.200 -0.012 0.000 2.290 554 E HA 0.302 4.651 4.350 -0.001 0.000 0.274 554 E C -0.052 176.644 176.600 0.159 0.000 0.889 554 E CA -0.198 56.232 56.400 0.049 0.000 0.760 554 E CB 1.498 31.221 29.700 0.037 0.000 1.206 554 E HN 0.546 nan 8.360 nan 0.000 0.419 555 D N 2.247 122.709 120.400 0.103 0.000 2.194 555 D HA -0.077 4.563 4.640 -0.001 0.000 0.204 555 D C -0.190 176.118 176.300 0.015 0.000 0.964 555 D CA 0.556 54.609 54.000 0.088 0.000 0.846 555 D CB 0.291 41.115 40.800 0.040 0.000 0.962 555 D HN 0.423 nan 8.370 nan 0.000 0.490 556 D N -0.488 119.924 120.400 0.019 0.000 2.343 556 D HA 0.030 4.669 4.640 -0.001 0.000 0.255 556 D C -1.727 174.568 176.300 -0.008 0.000 1.187 556 D CA -1.768 52.226 54.000 -0.010 0.000 0.875 556 D CB 1.712 42.514 40.800 0.003 0.000 1.136 556 D HN 0.011 nan 8.370 nan 0.000 0.469 557 P HA -0.103 nan 4.420 nan 0.000 0.215 557 P C 0.726 178.030 177.300 0.008 0.000 1.153 557 P CA 0.849 63.920 63.100 -0.047 0.000 0.853 557 P CB 0.415 32.057 31.700 -0.096 0.000 0.788 558 D N -0.954 119.445 120.400 -0.001 0.000 2.097 558 D HA -0.099 4.541 4.640 -0.001 0.000 0.197 558 D C 1.930 178.240 176.300 0.017 0.000 0.984 558 D CA 1.009 55.014 54.000 0.008 0.000 0.826 558 D CB -0.461 40.341 40.800 0.002 0.000 0.973 558 D HN 0.057 nan 8.370 nan 0.000 0.460 559 I N 1.505 122.086 120.570 0.017 0.000 2.252 559 I HA -0.162 4.008 4.170 -0.001 0.000 0.245 559 I C 2.561 178.693 176.117 0.026 0.000 1.102 559 I CA 0.527 61.839 61.300 0.019 0.000 1.385 559 I CB -1.408 36.602 38.000 0.016 0.000 1.064 559 I HN -0.138 nan 8.210 nan 0.000 0.414 560 A N 1.027 123.875 122.820 0.048 0.000 1.892 560 A HA -0.281 4.038 4.320 -0.001 0.000 0.218 560 A C 2.474 180.085 177.584 0.044 0.000 1.188 560 A CA 2.313 54.386 52.037 0.062 0.000 0.631 560 A CB -0.634 18.458 19.000 0.153 0.000 0.822 560 A HN 0.309 nan 8.150 nan 0.000 0.447 561 R N -0.441 120.088 120.500 0.048 0.000 2.096 561 R HA -0.082 4.258 4.340 -0.001 0.000 0.235 561 R C 1.893 178.208 176.300 0.026 0.000 1.127 561 R CA 1.614 57.736 56.100 0.036 0.000 0.968 561 R CB -0.956 29.364 30.300 0.033 0.000 0.861 561 R HN 0.453 nan 8.270 nan 0.000 0.440 562 L N 0.260 121.496 121.223 0.022 0.000 2.012 562 L HA -0.116 4.224 4.340 -0.001 0.000 0.210 562 L C 1.932 178.812 176.870 0.016 0.000 1.073 562 L CA 1.847 56.698 54.840 0.018 0.000 0.748 562 L CB -0.628 41.440 42.059 0.015 0.000 0.891 562 L HN 0.308 nan 8.230 nan 0.000 0.431 563 L N -0.378 120.851 121.223 0.010 0.000 2.046 563 L HA -0.256 4.084 4.340 -0.001 0.000 0.208 563 L C 2.525 179.401 176.870 0.009 0.000 1.077 563 L CA 1.826 56.666 54.840 -0.000 0.000 0.747 563 L CB -0.866 41.182 42.059 -0.019 0.000 0.896 563 L HN 0.545 nan 8.230 nan 0.000 0.432 564 N N 0.268 118.977 118.700 0.014 0.000 2.069 564 N HA -0.144 4.595 4.740 -0.001 0.000 0.191 564 N C 1.040 176.571 175.510 0.035 0.000 1.031 564 N CA 0.647 53.712 53.050 0.024 0.000 0.852 564 N CB 0.074 38.576 38.487 0.025 0.000 1.018 564 N HN 0.118 nan 8.380 nan 0.000 0.423 568 E N 1.922 122.187 120.200 0.108 0.000 2.058 568 E HA -0.292 4.058 4.350 -0.001 0.000 0.194 568 E C 1.817 178.440 176.600 0.038 0.000 0.997 568 E CA 2.030 58.471 56.400 0.068 0.000 0.801 568 E CB 0.244 29.971 29.700 0.046 0.000 0.746 568 E HN 0.165 nan 8.360 nan 0.000 0.450 569 K N -0.190 120.235 120.400 0.042 0.000 2.211 569 K HA -0.077 4.242 4.320 -0.001 0.000 0.204 569 K C 1.662 178.274 176.600 0.019 0.000 1.047 569 K CA 1.345 57.648 56.287 0.027 0.000 0.935 569 K CB -0.384 32.136 32.500 0.033 0.000 0.728 569 K HN 0.258 nan 8.250 nan 0.000 0.452 570 G N -1.761 107.064 108.800 0.043 0.000 2.985 570 G HA2 0.204 4.163 3.960 -0.001 0.000 0.209 570 G HA3 0.204 4.163 3.960 -0.001 0.000 0.209 570 G C 0.732 175.490 174.900 -0.236 0.000 1.165 570 G CA 0.245 45.351 45.100 0.011 0.000 0.776 570 G HN 0.456 nan 8.290 nan 0.000 0.541 571 G N -1.139 107.537 108.800 -0.206 0.000 2.141 571 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.231 571 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.231 571 G C -0.045 174.606 174.900 -0.415 0.000 0.984 571 G CA -0.218 44.696 45.100 -0.309 0.000 0.660 571 G HN 0.279 nan 8.290 nan 0.000 0.525 572 F N 1.246 121.188 119.950 -0.013 0.000 2.480 572 F HA 0.594 5.121 4.527 -0.000 0.000 0.329 572 F C 0.358 176.153 175.800 -0.009 0.000 1.091 572 F CA -1.287 56.698 58.000 -0.025 0.000 0.972 572 F CB 1.328 40.290 39.000 -0.063 0.000 1.150 572 F HN -0.120 nan 8.300 nan 0.000 0.467 573 D N 0.752 121.271 120.400 0.199 0.000 2.294 573 D HA 0.579 5.218 4.640 -0.001 0.000 0.250 573 D C -0.483 175.896 176.300 0.132 0.000 1.058 573 D CA 0.115 54.186 54.000 0.118 0.000 0.950 573 D CB 1.799 42.643 40.800 0.074 0.000 1.158 573 D HN 0.571 nan 8.370 nan 0.000 0.453 574 S N 0.067 115.828 115.700 0.102 0.000 2.587 574 S HA 0.547 5.016 4.470 -0.001 0.000 0.269 574 S C -1.385 173.269 174.600 0.091 0.000 1.154 574 S CA -0.990 57.271 58.200 0.102 0.000 0.824 574 S CB 2.563 65.793 63.200 0.050 0.000 1.118 574 S HN 0.247 nan 8.310 nan 0.000 0.462 578 H N 1.514 120.567 119.070 -0.029 0.000 2.542 578 H HA 0.600 5.155 4.556 -0.001 0.000 0.283 578 H C 0.629 175.945 175.328 -0.021 0.000 1.059 578 H CA 0.739 56.773 56.048 -0.023 0.000 1.162 578 H CB 0.760 30.513 29.762 -0.015 0.000 1.539 578 H HN 1.019 nan 8.280 nan 0.000 0.543 579 S N -1.450 114.269 115.700 0.032 0.000 2.588 579 S HA 0.582 5.052 4.470 -0.001 0.000 0.269 579 S C 0.954 175.547 174.600 -0.012 0.000 1.157 579 S CA -0.332 57.880 58.200 0.021 0.000 0.824 579 S CB 1.787 65.005 63.200 0.030 0.000 1.126 579 S HN 0.033 nan 8.310 nan 0.000 0.464 580 A N 1.344 124.160 122.820 -0.006 0.000 1.902 580 A HA 0.267 4.587 4.320 -0.001 0.000 0.217 580 A C 2.313 179.885 177.584 -0.018 0.000 1.181 580 A CA 2.066 54.094 52.037 -0.015 0.000 0.623 580 A CB -1.622 17.378 19.000 0.000 0.000 0.818 580 A HN 1.597 nan 8.150 nan 0.000 0.443 581 A N -0.639 122.176 122.820 -0.008 0.000 1.865 581 A HA -0.262 4.057 4.320 -0.001 0.000 0.217 581 A C 2.137 179.711 177.584 -0.017 0.000 1.191 581 A CA 1.833 53.866 52.037 -0.008 0.000 0.623 581 A CB -0.712 18.288 19.000 0.000 0.000 0.826 581 A HN 0.641 nan 8.150 nan 0.000 0.444 582 Q N -0.744 119.043 119.800 -0.021 0.000 2.096 582 Q HA -0.132 4.208 4.340 -0.001 0.000 0.204 582 Q C 2.449 178.414 176.000 -0.059 0.000 0.982 582 Q CA 1.418 57.200 55.803 -0.035 0.000 0.850 582 Q CB -0.428 28.284 28.738 -0.044 0.000 0.901 582 Q HN 0.704 nan 8.270 nan 0.000 0.422 583 A N 0.995 123.770 122.820 -0.075 0.000 1.851 583 A HA -0.203 4.117 4.320 -0.001 0.000 0.216 583 A C 2.079 179.612 177.584 -0.085 0.000 1.195 583 A CA 1.316 53.287 52.037 -0.110 0.000 0.622 583 A CB -0.907 18.026 19.000 -0.111 0.000 0.831 583 A HN 0.319 nan 8.150 nan 0.000 0.444 584 L N -0.835 120.356 121.223 -0.053 0.000 2.043 584 L HA -0.261 4.079 4.340 -0.001 0.000 0.212 584 L C 2.728 179.587 176.870 -0.019 0.000 1.075 584 L CA 2.073 56.894 54.840 -0.032 0.000 0.752 584 L CB -0.469 41.579 42.059 -0.018 0.000 0.891 584 L HN 0.677 nan 8.230 nan 0.000 0.432 585 E N -0.303 119.887 120.200 -0.016 0.000 2.046 585 E HA -0.281 4.069 4.350 -0.001 0.000 0.190 585 E C 2.194 178.799 176.600 0.009 0.000 0.982 585 E CA 1.040 57.438 56.400 -0.002 0.000 0.800 585 E CB 0.063 29.762 29.700 -0.003 0.000 0.756 585 E HN 0.281 nan 8.360 nan 0.000 0.449 586 Q N 0.538 120.335 119.800 -0.006 0.000 2.079 586 Q HA -0.103 4.237 4.340 -0.001 0.000 0.200 586 Q C 2.077 178.130 176.000 0.089 0.000 0.974 586 Q CA 1.398 57.216 55.803 0.024 0.000 0.840 586 Q CB -0.524 28.193 28.738 -0.035 0.000 0.898 586 Q HN 0.266 nan 8.270 nan 0.000 0.430 587 V N 0.076 119.992 119.914 0.002 0.000 2.688 587 V HA -0.157 3.963 4.120 -0.001 0.000 0.256 587 V C 1.651 177.836 176.094 0.152 0.000 1.084 587 V CA 1.901 64.235 62.300 0.057 0.000 1.103 587 V CB -0.509 31.282 31.823 -0.054 0.000 0.688 587 V HN 0.488 nan 8.190 nan 0.000 0.480 588 A N -0.996 121.876 122.820 0.086 0.000 2.308 588 A HA 0.145 4.464 4.320 -0.001 0.000 0.217 588 A C 2.119 179.739 177.584 0.060 0.000 1.216 588 A CA 0.514 52.589 52.037 0.063 0.000 0.864 588 A CB -0.320 18.700 19.000 0.033 0.000 0.902 588 A HN 0.501 nan 8.150 nan 0.000 0.499 589 R N 0.232 120.783 120.500 0.086 0.000 2.153 589 R HA 0.034 4.373 4.340 -0.001 0.000 0.218 589 R C 0.608 176.929 176.300 0.034 0.000 1.072 589 R CA 1.133 57.270 56.100 0.062 0.000 0.990 589 R CB 0.094 30.440 30.300 0.076 0.000 0.889 589 R HN 0.686 nan 8.270 nan 0.000 0.452 590 R N -1.624 118.897 120.500 0.035 0.000 2.728 590 R HA 0.388 4.728 4.340 -0.001 0.000 0.274 590 R C -3.093 173.088 176.300 -0.198 0.000 1.030 590 R CA -1.991 54.045 56.100 -0.107 0.000 0.876 590 R CB 0.669 30.851 30.300 -0.197 0.000 1.259 590 R HN -0.228 nan 8.270 nan 0.000 0.468 591 P HA 0.156 nan 4.420 nan 0.000 0.271 591 P C -1.525 175.533 177.300 -0.404 0.000 1.220 591 P CA 0.065 63.044 63.100 -0.203 0.000 0.768 591 P CB 0.121 31.740 31.700 -0.134 0.000 0.848 592 Y N 0.733 121.019 120.300 -0.024 0.000 2.425 592 Y HA 0.501 5.051 4.550 -0.001 0.000 0.344 592 Y C 1.113 176.991 175.900 -0.037 0.000 0.969 592 Y CA -0.748 57.332 58.100 -0.034 0.000 1.052 592 Y CB 1.917 40.348 38.460 -0.049 0.000 1.215 592 Y HN 0.369 nan 8.280 nan 0.000 0.451 593 A N 1.958 124.844 122.820 0.111 0.000 2.081 593 A HA 0.632 4.952 4.320 -0.001 0.000 0.214 593 A C 0.763 178.348 177.584 0.003 0.000 1.158 593 A CA 1.192 53.256 52.037 0.045 0.000 0.724 593 A CB -0.043 18.984 19.000 0.044 0.000 0.826 593 A HN 0.823 nan 8.150 nan 0.000 0.463 597 V N 2.210 122.031 119.914 -0.154 0.000 2.588 597 V HA 0.591 4.711 4.120 -0.001 0.000 0.304 597 V C -0.664 175.386 176.094 -0.072 0.000 1.042 597 V CA -0.700 61.530 62.300 -0.116 0.000 0.877 597 V CB 1.867 33.612 31.823 -0.131 0.000 0.996 597 V HN 1.075 nan 8.190 nan 0.000 0.425 598 D N 3.261 123.640 120.400 -0.035 0.000 2.249 598 D HA 0.241 4.880 4.640 -0.001 0.000 0.246 598 D C 0.597 176.910 176.300 0.023 0.000 1.114 598 D CA -0.386 53.614 54.000 -0.001 0.000 0.854 598 D CB 1.976 42.781 40.800 0.009 0.000 1.132 598 D HN 0.245 nan 8.370 nan 0.000 0.461 599 L N 4.137 125.392 121.223 0.054 0.000 2.005 599 L HA -0.104 4.235 4.340 -0.001 0.000 0.207 599 L C 1.238 178.146 176.870 0.064 0.000 1.072 599 L CA 1.243 56.134 54.840 0.086 0.000 0.744 599 L CB -1.214 40.926 42.059 0.135 0.000 0.895 599 L HN 0.494 nan 8.230 nan 0.000 0.433 600 N N 0.398 119.129 118.700 0.052 0.000 2.744 600 N HA 0.082 4.822 4.740 -0.001 0.000 0.290 600 N C -0.685 174.844 175.510 0.031 0.000 1.206 600 N CA 0.191 53.265 53.050 0.039 0.000 1.119 600 N CB -0.368 38.140 38.487 0.033 0.000 1.449 600 N HN 0.137 nan 8.380 nan 0.000 0.514 601 L N 2.414 123.656 121.223 0.031 0.000 2.387 601 L HA 0.494 4.834 4.340 -0.001 0.000 0.266 601 L C -0.771 176.114 176.870 0.023 0.000 1.059 601 L CA -1.850 53.006 54.840 0.027 0.000 0.801 601 L CB 1.153 43.227 42.059 0.025 0.000 1.223 601 L HN 0.344 nan 8.230 nan 0.000 0.456 602 P HA -0.126 nan 4.420 nan 0.000 0.202 602 P C 0.281 177.590 177.300 0.016 0.000 1.189 602 P CA 1.083 64.193 63.100 0.018 0.000 0.921 602 P CB -0.056 31.655 31.700 0.019 0.000 0.756 603 D N 0.311 120.720 120.400 0.016 0.000 1.685 603 D HA -0.122 4.517 4.640 -0.001 0.000 0.313 603 D C 0.998 177.306 176.300 0.014 0.000 1.065 603 D CA 0.142 54.150 54.000 0.014 0.000 0.879 603 D CB -1.362 39.446 40.800 0.013 0.000 1.370 603 D HN 0.208 nan 8.370 nan 0.000 0.483 604 Q N 1.290 121.098 119.800 0.014 0.000 2.304 604 Q HA -0.028 4.311 4.340 -0.001 0.000 0.301 604 Q C -0.513 175.500 176.000 0.021 0.000 1.063 604 Q CA -0.059 55.754 55.803 0.016 0.000 0.947 604 Q CB 0.436 29.182 28.738 0.013 0.000 1.201 604 Q HN 0.210 nan 8.270 nan 0.000 0.389 605 D N 1.988 122.403 120.400 0.026 0.000 2.362 605 D HA 0.060 4.699 4.640 -0.001 0.000 0.238 605 D C 1.009 177.338 176.300 0.049 0.000 1.212 605 D CA 0.961 54.982 54.000 0.036 0.000 0.902 605 D CB 0.680 41.502 40.800 0.036 0.000 1.180 605 D HN 0.648 nan 8.370 nan 0.000 0.445 606 G N 0.205 109.043 108.800 0.065 0.000 2.430 606 G HA2 -0.134 3.826 3.960 -0.001 0.000 0.216 606 G HA3 -0.134 3.826 3.960 -0.001 0.000 0.216 606 G C 1.527 176.504 174.900 0.128 0.000 1.146 606 G CA 0.504 45.649 45.100 0.074 0.000 0.793 606 G HN 0.403 nan 8.290 nan 0.000 0.537 607 V N 0.919 120.938 119.914 0.175 0.000 2.307 607 V HA -0.179 3.941 4.120 -0.001 0.000 0.245 607 V C 3.009 179.236 176.094 0.222 0.000 1.045 607 V CA 2.156 64.628 62.300 0.287 0.000 1.024 607 V CB -0.421 31.488 31.823 0.142 0.000 0.651 607 V HN 0.474 nan 8.190 nan 0.000 0.449 608 S N 0.023 115.789 115.700 0.111 0.000 2.374 608 S HA -0.232 4.238 4.470 -0.001 0.000 0.227 608 S C 1.983 176.631 174.600 0.079 0.000 1.037 608 S CA 2.182 60.428 58.200 0.077 0.000 1.024 608 S CB -0.407 62.818 63.200 0.043 0.000 0.861 608 S HN 0.447 nan 8.310 nan 0.000 0.456 609 L N 1.669 122.931 121.223 0.065 0.000 2.017 609 L HA 0.057 4.396 4.340 -0.001 0.000 0.208 609 L C 2.039 178.930 176.870 0.036 0.000 1.073 609 L CA 1.813 56.673 54.840 0.033 0.000 0.745 609 L CB -0.751 41.311 42.059 0.006 0.000 0.894 609 L HN 0.454 nan 8.230 nan 0.000 0.432 610 I N -0.730 119.880 120.570 0.066 0.000 2.286 610 I HA -0.272 3.897 4.170 -0.001 0.000 0.248 610 I C 2.615 178.789 176.117 0.095 0.000 1.115 610 I CA 1.162 62.480 61.300 0.030 0.000 1.392 610 I CB -0.396 37.587 38.000 -0.028 0.000 1.065 610 I HN 0.260 nan 8.210 nan 0.000 0.418 611 R N 0.851 121.473 120.500 0.205 0.000 2.092 611 R HA -0.094 4.245 4.340 -0.001 0.000 0.231 611 R C 2.515 178.870 176.300 0.092 0.000 1.119 611 R CA 1.380 57.593 56.100 0.188 0.000 0.970 611 R CB -0.449 29.952 30.300 0.167 0.000 0.864 611 R HN 0.360 nan 8.270 nan 0.000 0.440 612 A N 1.403 124.261 122.820 0.063 0.000 1.877 612 A HA -0.140 4.180 4.320 -0.001 0.000 0.216 612 A C 2.179 179.776 177.584 0.021 0.000 1.186 612 A CA 1.217 53.275 52.037 0.034 0.000 0.620 612 A CB -0.582 18.431 19.000 0.023 0.000 0.822 612 A HN 0.176 nan 8.150 nan 0.000 0.443 613 L N -1.144 120.084 121.223 0.009 0.000 2.131 613 L HA -0.154 4.185 4.340 -0.001 0.000 0.210 613 L C 2.671 179.538 176.870 -0.006 0.000 1.092 613 L CA 0.933 55.767 54.840 -0.010 0.000 0.759 613 L CB -0.421 41.616 42.059 -0.037 0.000 0.903 613 L HN 0.234 nan 8.230 nan 0.000 0.435 614 R N -0.121 120.384 120.500 0.007 0.000 2.193 614 R HA 0.016 4.355 4.340 -0.001 0.000 0.213 614 R C 2.232 178.547 176.300 0.025 0.000 1.055 614 R CA 0.677 56.785 56.100 0.012 0.000 0.995 614 R CB -0.372 29.945 30.300 0.028 0.000 0.893 614 R HN 0.391 nan 8.270 nan 0.000 0.459 615 R N 0.502 121.021 120.500 0.031 0.000 2.073 615 R HA -0.023 4.317 4.340 -0.001 0.000 0.229 615 R C 0.416 176.727 176.300 0.018 0.000 1.120 615 R CA 0.504 56.620 56.100 0.028 0.000 0.967 615 R CB -0.214 30.104 30.300 0.030 0.000 0.862 615 R HN 0.094 nan 8.270 nan 0.000 0.436 616 D N 0.749 121.158 120.400 0.014 0.000 2.358 616 D HA -0.036 4.603 4.640 -0.001 0.000 0.258 616 D C 0.828 177.132 176.300 0.007 0.000 1.223 616 D CA 0.130 54.136 54.000 0.010 0.000 0.886 616 D CB 1.200 42.005 40.800 0.007 0.000 1.120 616 D HN 0.127 nan 8.370 nan 0.000 0.482 617 S N 3.948 119.652 115.700 0.008 0.000 2.474 617 S HA -0.139 4.331 4.470 -0.001 0.000 0.235 617 S C 1.633 176.236 174.600 0.005 0.000 0.997 617 S CA 0.492 58.695 58.200 0.006 0.000 0.949 617 S CB 0.043 63.247 63.200 0.007 0.000 0.766 617 S HN 0.491 nan 8.310 nan 0.000 0.517 618 R N 0.375 120.878 120.500 0.005 0.000 2.148 618 R HA 0.083 4.423 4.340 -0.001 0.000 0.223 618 R C 1.841 178.144 176.300 0.005 0.000 1.088 618 R CA 1.442 57.545 56.100 0.006 0.000 0.985 618 R CB -0.242 30.062 30.300 0.008 0.000 0.880 618 R HN 0.464 nan 8.270 nan 0.000 0.451 619 T N -0.814 113.741 114.554 0.002 0.000 3.231 619 T HA 0.180 4.530 4.350 -0.001 0.000 0.292 619 T C 1.054 175.746 174.700 -0.012 0.000 1.001 619 T CA -0.402 61.696 62.100 -0.003 0.000 0.920 619 T CB 0.055 68.920 68.868 -0.005 0.000 1.140 619 T HN 0.056 nan 8.240 nan 0.000 0.525 620 R N 0.596 121.091 120.500 -0.007 0.000 2.148 620 R HA 0.005 4.344 4.340 -0.001 0.000 0.227 620 R C 0.778 177.067 176.300 -0.017 0.000 1.103 620 R CA 1.726 57.821 56.100 -0.009 0.000 0.983 620 R CB 0.150 30.449 30.300 -0.000 0.000 0.874 620 R HN 0.335 nan 8.270 nan 0.000 0.451 621 D N 0.162 120.552 120.400 -0.016 0.000 2.398 621 D HA -0.012 4.628 4.640 -0.001 0.000 0.210 621 D C -0.152 176.129 176.300 -0.031 0.000 1.094 621 D CA -0.227 53.760 54.000 -0.021 0.000 0.839 621 D CB 0.304 41.097 40.800 -0.011 0.000 0.963 621 D HN 0.093 nan 8.370 nan 0.000 0.506 622 L N 2.093 123.296 121.223 -0.033 0.000 2.584 622 L HA 0.120 4.459 4.340 -0.001 0.000 0.272 622 L C 0.156 176.982 176.870 -0.072 0.000 1.195 622 L CA -0.409 54.407 54.840 -0.040 0.000 0.920 622 L CB 0.223 42.261 42.059 -0.036 0.000 1.173 622 L HN -0.080 nan 8.230 nan 0.000 0.489 623 A N 7.050 129.824 122.820 -0.076 0.000 2.520 623 A HA 0.426 4.745 4.320 -0.001 0.000 0.245 623 A C -0.082 177.410 177.584 -0.153 0.000 1.072 623 A CA 0.090 52.061 52.037 -0.109 0.000 0.761 623 A CB -0.360 18.580 19.000 -0.101 0.000 1.004 623 A HN 0.745 nan 8.150 nan 0.000 0.499 624 I N 2.908 123.360 120.570 -0.196 0.000 2.499 624 I HA 0.335 4.504 4.170 -0.001 0.000 0.288 624 I C -0.904 175.024 176.117 -0.315 0.000 1.048 624 I CA -0.688 60.462 61.300 -0.251 0.000 1.062 624 I CB 2.195 40.028 38.000 -0.278 0.000 1.238 624 I HN 0.301 nan 8.210 nan 0.000 0.426 625 V N 6.961 126.695 119.914 -0.300 0.000 2.448 625 V HA 0.363 4.483 4.120 -0.001 0.000 0.295 625 V C -0.024 175.875 176.094 -0.325 0.000 1.025 625 V CA -0.725 61.385 62.300 -0.316 0.000 0.859 625 V CB 2.188 33.871 31.823 -0.232 0.000 0.988 625 V HN 0.373 nan 8.190 nan 0.000 0.431 626 V N 5.833 125.490 119.914 -0.428 0.000 2.465 626 V HA 0.433 4.553 4.120 -0.001 0.000 0.279 626 V C -0.151 175.859 176.094 -0.140 0.000 1.045 626 V CA -0.223 61.883 62.300 -0.323 0.000 0.938 626 V CB 1.808 33.334 31.823 -0.494 0.000 0.986 626 V HN 0.621 nan 8.190 nan 0.000 0.467 627 V N 4.557 124.427 119.914 -0.073 0.000 2.445 627 V HA 0.618 4.737 4.120 -0.001 0.000 0.283 627 V C -0.271 175.829 176.094 0.009 0.000 1.014 627 V CA -0.046 62.240 62.300 -0.023 0.000 0.852 627 V CB 1.407 33.206 31.823 -0.041 0.000 1.021 627 V HN 0.885 nan 8.190 nan 0.000 0.435 628 S N 2.655 118.384 115.700 0.049 0.000 2.570 628 S HA 0.738 5.208 4.470 -0.001 0.000 0.270 628 S C 1.018 175.657 174.600 0.065 0.000 1.149 628 S CA 0.353 58.589 58.200 0.059 0.000 0.837 628 S CB 2.112 65.363 63.200 0.085 0.000 1.124 628 S HN 0.933 nan 8.310 nan 0.000 0.465 629 A N 2.755 125.606 122.820 0.051 0.000 1.883 629 A HA -0.009 4.310 4.320 -0.001 0.000 0.217 629 A C 0.778 178.392 177.584 0.051 0.000 1.186 629 A CA 1.766 53.829 52.037 0.043 0.000 0.624 629 A CB -0.786 18.233 19.000 0.033 0.000 0.822 629 A HN 0.746 nan 8.150 nan 0.000 0.444 630 N N -0.695 118.043 118.700 0.062 0.000 3.228 630 N HA 0.558 5.297 4.740 -0.001 0.000 0.289 630 N C 0.590 176.160 175.510 0.099 0.000 1.419 630 N CA 0.539 53.626 53.050 0.062 0.000 1.088 630 N CB 0.990 39.506 38.487 0.048 0.000 1.357 630 N HN 0.369 nan 8.380 nan 0.000 0.504 631 A N 0.929 123.821 122.820 0.120 0.000 1.874 631 A HA -0.064 4.255 4.320 -0.001 0.000 0.214 631 A C 2.088 179.714 177.584 0.070 0.000 1.189 631 A CA 0.955 53.119 52.037 0.212 0.000 0.615 631 A CB -0.055 19.089 19.000 0.240 0.000 0.830 631 A HN 0.408 nan 8.150 nan 0.000 0.443 632 R N -0.096 120.405 120.500 0.001 0.000 2.096 632 R HA -0.182 4.158 4.340 -0.001 0.000 0.240 632 R C 2.007 178.225 176.300 -0.136 0.000 1.139 632 R CA 1.774 57.819 56.100 -0.092 0.000 0.952 632 R CB -0.429 29.842 30.300 -0.049 0.000 0.854 632 R HN 0.490 nan 8.270 nan 0.000 0.436 633 E N -0.135 120.025 120.200 -0.067 0.000 2.118 633 E HA -0.122 4.227 4.350 -0.001 0.000 0.195 633 E C 2.037 178.587 176.600 -0.084 0.000 0.992 633 E CA 1.478 57.841 56.400 -0.062 0.000 0.804 633 E CB -0.464 29.226 29.700 -0.017 0.000 0.741 633 E HN 0.528 nan 8.360 nan 0.000 0.458 634 G N 0.201 108.969 108.800 -0.053 0.000 2.448 634 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.218 634 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.218 634 G C 1.435 176.126 174.900 -0.348 0.000 1.135 634 G CA 0.467 45.571 45.100 0.006 0.000 0.784 634 G HN 0.279 nan 8.290 nan 0.000 0.543 635 E N -0.217 119.474 120.200 -0.849 0.000 2.204 635 E HA -0.023 4.326 4.350 -0.001 0.000 0.194 635 E C 2.276 178.577 176.600 -0.498 0.000 0.989 635 E CA 0.376 56.007 56.400 -1.280 0.000 0.824 635 E CB -0.078 28.908 29.700 -1.191 0.000 0.756 635 E HN 0.492 nan 8.360 nan 0.000 0.477 636 L N 0.716 121.758 121.223 -0.302 0.000 2.095 636 L HA -0.117 4.223 4.340 -0.001 0.000 0.204 636 L C 2.332 179.125 176.870 -0.129 0.000 1.080 636 L CA 1.480 56.218 54.840 -0.169 0.000 0.759 636 L CB -0.112 41.870 42.059 -0.129 0.000 0.914 636 L HN 0.034 nan 8.230 nan 0.000 0.439 637 E N 0.201 120.319 120.200 -0.136 0.000 2.209 637 E HA -0.237 4.113 4.350 -0.001 0.000 0.196 637 E C 0.892 177.313 176.600 -0.300 0.000 0.993 637 E CA 1.535 57.819 56.400 -0.194 0.000 0.819 637 E CB -0.171 29.416 29.700 -0.189 0.000 0.745 637 E HN 0.567 nan 8.360 nan 0.000 0.477 638 F N 0.176 120.096 119.950 -0.050 0.000 2.837 638 F HA 0.293 4.820 4.527 0.000 0.000 0.298 638 F C 1.455 177.248 175.800 -0.011 0.000 1.161 638 F CA -0.338 57.678 58.000 0.027 0.000 1.353 638 F CB -0.017 39.092 39.000 0.182 0.000 0.951 638 F HN 0.028 nan 8.300 nan 0.000 0.508 639 N N -0.175 118.556 118.700 0.051 0.000 2.223 639 N HA -0.146 4.593 4.740 -0.001 0.000 0.185 639 N C 1.605 177.145 175.510 0.051 0.000 1.016 639 N CA 1.184 54.247 53.050 0.023 0.000 0.863 639 N CB 0.240 38.711 38.487 -0.026 0.000 0.983 639 N HN 0.134 nan 8.380 nan 0.000 0.429 640 S N 0.005 115.739 115.700 0.057 0.000 2.562 640 S HA 0.116 4.586 4.470 -0.001 0.000 0.221 640 S C 0.205 174.866 174.600 0.103 0.000 0.975 640 S CA 0.252 58.486 58.200 0.058 0.000 0.918 640 S CB 0.271 63.490 63.200 0.031 0.000 0.772 640 S HN 0.378 nan 8.310 nan 0.000 0.531 641 Q N 0.890 120.797 119.800 0.178 0.000 3.075 641 Q HA 0.183 4.523 4.340 -0.001 0.000 0.318 641 Q C -2.082 174.039 176.000 0.202 0.000 0.907 641 Q CA -1.553 54.374 55.803 0.207 0.000 0.882 641 Q CB 1.216 30.153 28.738 0.332 0.000 1.386 641 Q HN 0.194 nan 8.270 nan 0.000 0.408 642 P HA -0.154 nan 4.420 nan 0.000 0.220 642 P C 0.511 177.890 177.300 0.132 0.000 1.144 642 P CA 0.950 64.128 63.100 0.131 0.000 0.800 642 P CB 0.460 32.209 31.700 0.083 0.000 0.772 643 L N -1.458 119.819 121.223 0.091 0.000 2.910 643 L HA 0.361 4.701 4.340 -0.001 0.000 0.252 643 L C 2.212 179.078 176.870 -0.008 0.000 1.195 643 L CA -0.331 54.536 54.840 0.045 0.000 1.003 643 L CB -1.036 41.041 42.059 0.029 0.000 1.328 643 L HN -0.135 nan 8.230 nan 0.000 0.540 644 A N -0.506 122.301 122.820 -0.022 0.000 1.972 644 A HA 0.050 4.369 4.320 -0.001 0.000 0.219 644 A C 1.004 178.422 177.584 -0.278 0.000 1.169 644 A CA 1.551 53.492 52.037 -0.161 0.000 0.635 644 A CB -0.112 18.686 19.000 -0.338 0.000 0.810 644 A HN 0.185 nan 8.150 nan 0.000 0.446 645 V N -3.383 116.359 119.914 -0.288 0.000 2.789 645 V HA 0.600 4.720 4.120 -0.001 0.000 0.311 645 V C 0.725 176.634 176.094 -0.308 0.000 1.073 645 V CA 0.138 62.173 62.300 -0.442 0.000 0.921 645 V CB 1.500 32.763 31.823 -0.933 0.000 1.009 645 V HN 0.203 nan 8.190 nan 0.000 0.426 646 S N 3.436 118.973 115.700 -0.272 0.000 2.351 646 S HA -0.012 4.458 4.470 -0.001 0.000 0.220 646 S C 0.782 175.291 174.600 -0.152 0.000 1.035 646 S CA 1.915 60.015 58.200 -0.166 0.000 1.031 646 S CB -0.210 62.903 63.200 -0.146 0.000 0.928 646 S HN 1.007 nan 8.310 nan 0.000 0.433 647 T N 0.254 114.653 114.554 -0.258 0.000 2.933 647 T HA 0.419 4.769 4.350 -0.001 0.000 0.305 647 T C -1.759 172.763 174.700 -0.296 0.000 1.092 647 T CA -0.556 61.448 62.100 -0.160 0.000 1.008 647 T CB 1.165 69.988 68.868 -0.075 0.000 1.102 647 T HN 0.286 nan 8.240 nan 0.000 0.469 648 W N 2.978 124.258 121.300 -0.033 0.000 2.278 648 W HA 0.634 5.293 4.660 -0.001 0.000 0.317 648 W C -0.647 175.863 176.519 -0.015 0.000 1.030 648 W CA -0.781 56.549 57.345 -0.024 0.000 1.334 648 W CB 0.450 29.903 29.460 -0.011 0.000 1.215 648 W HN 0.288 nan 8.180 nan 0.000 0.405 649 L N 3.770 125.064 121.223 0.120 0.000 2.307 649 L HA 0.440 4.780 4.340 -0.001 0.000 0.284 649 L C 0.713 177.637 176.870 0.089 0.000 1.023 649 L CA -1.003 53.886 54.840 0.082 0.000 0.810 649 L CB 1.207 43.280 42.059 0.022 0.000 1.231 649 L HN 0.319 nan 8.230 nan 0.000 0.423 650 E N 2.316 122.563 120.200 0.078 0.000 2.330 650 E HA 0.418 4.767 4.350 -0.001 0.000 0.256 650 E C -0.824 175.803 176.600 0.044 0.000 1.146 650 E CA -0.730 55.709 56.400 0.066 0.000 0.945 650 E CB 1.518 31.252 29.700 0.057 0.000 1.182 650 E HN 0.411 nan 8.360 nan 0.000 0.480 651 K N 1.572 121.994 120.400 0.037 0.000 2.203 651 K HA 0.382 4.701 4.320 -0.001 0.000 0.251 651 K C -2.199 174.416 176.600 0.024 0.000 0.944 651 K CA -1.697 54.606 56.287 0.027 0.000 0.829 651 K CB 1.121 33.635 32.500 0.024 0.000 1.125 651 K HN 0.343 nan 8.250 nan 0.000 0.430 652 P HA 0.097 nan 4.420 nan 0.000 0.268 652 P C -0.396 176.915 177.300 0.019 0.000 1.205 652 P CA -0.049 63.062 63.100 0.018 0.000 0.771 652 P CB 0.471 32.180 31.700 0.016 0.000 0.858 653 I N 2.059 122.639 120.570 0.017 0.000 2.598 653 I HA -0.030 4.139 4.170 -0.001 0.000 0.284 653 I C 1.094 177.221 176.117 0.017 0.000 1.140 653 I CA 0.208 61.518 61.300 0.016 0.000 1.420 653 I CB -0.019 37.987 38.000 0.010 0.000 1.387 653 I HN 0.312 nan 8.210 nan 0.000 0.553 654 D N 6.948 127.360 120.400 0.019 0.000 2.435 654 D HA -0.011 4.628 4.640 -0.001 0.000 0.230 654 D C 1.071 177.384 176.300 0.022 0.000 1.215 654 D CA 0.136 54.149 54.000 0.022 0.000 0.947 654 D CB 0.530 41.344 40.800 0.025 0.000 1.048 654 D HN 0.607 nan 8.370 nan 0.000 0.512 655 E N 3.023 123.237 120.200 0.024 0.000 2.065 655 E HA -0.266 4.084 4.350 -0.001 0.000 0.201 655 E C 1.176 177.799 176.600 0.040 0.000 1.016 655 E CA 1.249 57.666 56.400 0.029 0.000 0.818 655 E CB 0.263 29.982 29.700 0.030 0.000 0.749 655 E HN 0.431 nan 8.360 nan 0.000 0.453 656 N N 0.426 119.151 118.700 0.041 0.000 2.120 656 N HA -0.164 4.576 4.740 -0.001 0.000 0.188 656 N C 1.910 177.453 175.510 0.056 0.000 1.024 656 N CA 0.772 53.854 53.050 0.053 0.000 0.852 656 N CB -0.382 38.132 38.487 0.044 0.000 1.003 656 N HN 0.182 nan 8.380 nan 0.000 0.424 657 L N 1.309 122.556 121.223 0.041 0.000 2.083 657 L HA -0.044 4.296 4.340 -0.001 0.000 0.209 657 L C 2.087 178.974 176.870 0.028 0.000 1.083 657 L CA 1.071 55.933 54.840 0.037 0.000 0.752 657 L CB -0.844 41.233 42.059 0.030 0.000 0.899 657 L HN 0.086 nan 8.230 nan 0.000 0.433 658 L N -0.698 120.535 121.223 0.017 0.000 1.994 658 L HA -0.186 4.154 4.340 -0.001 0.000 0.208 658 L C 2.354 179.219 176.870 -0.008 0.000 1.071 658 L CA 1.843 56.676 54.840 -0.012 0.000 0.745 658 L CB -0.741 41.306 42.059 -0.019 0.000 0.892 658 L HN 0.194 nan 8.230 nan 0.000 0.431 659 I N -0.518 120.083 120.570 0.052 0.000 2.208 659 I HA -0.253 3.917 4.170 -0.001 0.000 0.245 659 I C 2.537 178.763 176.117 0.181 0.000 1.097 659 I CA 1.329 62.710 61.300 0.135 0.000 1.363 659 I CB -1.346 36.770 38.000 0.194 0.000 1.051 659 I HN 0.378 nan 8.210 nan 0.000 0.413 660 L N 0.708 122.028 121.223 0.161 0.000 2.017 660 L HA -0.151 4.189 4.340 -0.001 0.000 0.208 660 L C 2.639 179.585 176.870 0.126 0.000 1.073 660 L CA 1.798 56.744 54.840 0.177 0.000 0.745 660 L CB -0.763 41.361 42.059 0.109 0.000 0.894 660 L HN 0.069 nan 8.230 nan 0.000 0.432 661 S N -0.462 115.269 115.700 0.053 0.000 2.383 661 S HA -0.157 4.313 4.470 -0.001 0.000 0.229 661 S C 1.943 176.528 174.600 -0.025 0.000 1.030 661 S CA 1.626 59.831 58.200 0.008 0.000 1.002 661 S CB -0.437 62.746 63.200 -0.028 0.000 0.829 661 S HN 0.440 nan 8.310 nan 0.000 0.467 662 L N 0.083 121.258 121.223 -0.081 0.000 2.056 662 L HA -0.121 4.218 4.340 -0.001 0.000 0.207 662 L C 2.347 179.182 176.870 -0.059 0.000 1.078 662 L CA 1.432 56.145 54.840 -0.212 0.000 0.749 662 L CB -0.606 41.117 42.059 -0.560 0.000 0.901 662 L HN 0.384 nan 8.230 nan 0.000 0.433 663 H N -0.483 118.678 119.070 0.152 0.000 2.321 663 H HA -0.113 4.442 4.556 -0.001 0.000 0.300 663 H C 2.520 177.901 175.328 0.088 0.000 1.087 663 H CA 1.432 57.601 56.048 0.201 0.000 1.319 663 H CB 0.160 30.037 29.762 0.191 0.000 1.379 663 H HN 0.150 nan 8.280 nan 0.000 0.501 664 R N 0.236 120.847 120.500 0.185 0.000 2.073 664 R HA -0.102 4.237 4.340 -0.001 0.000 0.234 664 R C 2.589 178.923 176.300 0.056 0.000 1.134 664 R CA 1.053 57.210 56.100 0.097 0.000 0.952 664 R CB -0.261 30.078 30.300 0.065 0.000 0.850 664 R HN 0.276 nan 8.270 nan 0.000 0.433 665 A N 1.118 123.953 122.820 0.025 0.000 1.902 665 A HA -0.143 4.176 4.320 -0.001 0.000 0.217 665 A C 2.168 179.753 177.584 0.002 0.000 1.181 665 A CA 1.298 53.328 52.037 -0.011 0.000 0.623 665 A CB -0.490 18.474 19.000 -0.059 0.000 0.818 665 A HN 0.196 nan 8.150 nan 0.000 0.443 666 I N -0.194 120.390 120.570 0.024 0.000 2.252 666 I HA -0.197 3.973 4.170 -0.001 0.000 0.245 666 I C 1.741 177.895 176.117 0.063 0.000 1.102 666 I CA 1.355 62.682 61.300 0.045 0.000 1.385 666 I CB -0.474 37.577 38.000 0.086 0.000 1.064 666 I HN 0.254 nan 8.210 nan 0.000 0.414 667 D N 0.737 121.188 120.400 0.085 0.000 2.144 667 D HA -0.127 4.512 4.640 -0.001 0.000 0.199 667 D C 1.070 177.394 176.300 0.039 0.000 0.984 667 D CA 0.814 54.853 54.000 0.065 0.000 0.834 667 D CB -0.582 40.258 40.800 0.068 0.000 0.955 667 D HN 0.344 nan 8.370 nan 0.000 0.465 670 A N 0.000 122.831 122.820 0.019 0.000 2.254 670 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 670 A CA 0.000 52.048 52.037 0.018 0.000 0.836 670 A CB 0.000 19.015 19.000 0.025 0.000 0.831 670 A HN 0.000 nan 8.150 nan 0.000 0.486