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 3fl2_1_A DATA FIRST_RESID 675 DATA SEQUENCE SLTAQQSSLI REDKSNAKLW NEVLASXXXR PASGSPFQLF LSKVEETFQC DATA SEQUENCE ICCQELVFRP ITTVCQHNVC KDCLDRSFRA QVFSCPACRY DLGRSYAMQV DATA SEQUENCE NQPLQTVLNQ LFPGYGNGR 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 675 S HA 0.000 nan 4.470 nan 0.000 0.327 675 S C 0.000 174.597 174.600 -0.004 0.000 1.055 675 S CA 0.000 58.239 58.200 0.065 0.000 1.107 675 S CB 0.000 63.205 63.200 0.008 0.000 0.593 676 L N 1.017 122.209 121.223 -0.053 0.000 2.473 676 L HA 0.709 5.051 4.340 0.003 0.000 0.268 676 L C 0.626 177.394 176.870 -0.170 0.000 1.215 676 L CA 0.046 54.782 54.840 -0.173 0.000 0.823 676 L CB -1.053 40.736 42.059 -0.450 0.000 1.099 676 L HN 0.841 nan 8.230 nan 0.000 0.483 677 T N -1.892 112.556 114.554 -0.177 0.000 2.923 677 T HA 0.727 5.079 4.350 0.003 0.000 0.281 677 T C 1.099 175.728 174.700 -0.118 0.000 0.995 677 T CA -0.315 61.699 62.100 -0.143 0.000 0.985 677 T CB 1.166 69.944 68.868 -0.150 0.000 1.114 677 T HN 0.911 nan 8.240 nan 0.000 0.548 678 A N -0.050 122.713 122.820 -0.094 0.000 1.933 678 A HA -0.082 4.240 4.320 0.003 0.000 0.218 678 A C 2.321 179.856 177.584 -0.081 0.000 1.175 678 A CA 1.422 53.411 52.037 -0.080 0.000 0.628 678 A CB -1.013 17.949 19.000 -0.063 0.000 0.814 678 A HN 0.872 nan 8.150 nan 0.000 0.444 679 Q N -0.277 119.475 119.800 -0.080 0.000 2.119 679 Q HA -0.197 4.145 4.340 0.003 0.000 0.201 679 Q C 2.087 178.036 176.000 -0.085 0.000 0.972 679 Q CA 1.821 57.580 55.803 -0.074 0.000 0.847 679 Q CB -0.209 28.490 28.738 -0.064 0.000 0.903 679 Q HN 0.813 nan 8.270 nan 0.000 0.433 680 Q N -0.374 119.368 119.800 -0.097 0.000 2.084 680 Q HA -0.106 4.236 4.340 0.003 0.000 0.202 680 Q C 2.265 178.176 176.000 -0.149 0.000 0.978 680 Q CA 1.766 57.507 55.803 -0.104 0.000 0.844 680 Q CB 0.046 28.726 28.738 -0.097 0.000 0.898 680 Q HN 0.272 nan 8.270 nan 0.000 0.426 681 S N 0.272 115.885 115.700 -0.145 0.000 2.368 681 S HA -0.181 4.291 4.470 0.003 0.000 0.225 681 S C 1.988 176.505 174.600 -0.139 0.000 1.030 681 S CA 1.260 59.373 58.200 -0.145 0.000 0.999 681 S CB -0.345 62.790 63.200 -0.109 0.000 0.844 681 S HN 0.375 nan 8.310 nan 0.000 0.459 682 S N 1.222 116.856 115.700 -0.110 0.000 2.368 682 S HA -0.005 4.467 4.470 0.003 0.000 0.225 682 S C 1.814 176.345 174.600 -0.115 0.000 1.030 682 S CA 0.887 59.030 58.200 -0.095 0.000 0.999 682 S CB -0.464 62.694 63.200 -0.071 0.000 0.844 682 S HN 0.440 nan 8.310 nan 0.000 0.459 683 L N 0.670 121.815 121.223 -0.129 0.000 2.046 683 L HA -0.091 4.251 4.340 0.003 0.000 0.208 683 L C 2.409 179.134 176.870 -0.241 0.000 1.077 683 L CA 1.373 56.127 54.840 -0.144 0.000 0.747 683 L CB -0.518 41.470 42.059 -0.119 0.000 0.896 683 L HN 0.385 nan 8.230 nan 0.000 0.432 684 I N -0.686 119.667 120.570 -0.362 0.000 2.252 684 I HA -0.266 3.906 4.170 0.003 0.000 0.245 684 I C 2.683 178.546 176.117 -0.425 0.000 1.102 684 I CA 1.093 61.991 61.300 -0.671 0.000 1.385 684 I CB -0.287 37.228 38.000 -0.808 0.000 1.064 684 I HN 0.181 nan 8.210 nan 0.000 0.414 685 R N 0.368 120.730 120.500 -0.230 0.000 2.159 685 R HA -0.165 4.177 4.340 0.003 0.000 0.237 685 R C 1.980 178.231 176.300 -0.081 0.000 1.131 685 R CA 0.907 56.937 56.100 -0.117 0.000 0.982 685 R CB -0.205 30.050 30.300 -0.076 0.000 0.868 685 R HN 0.300 nan 8.270 nan 0.000 0.453 686 E N 0.729 120.870 120.200 -0.098 0.000 2.274 686 E HA -0.110 4.242 4.350 0.003 0.000 0.194 686 E C 0.058 176.642 176.600 -0.027 0.000 0.996 686 E CA 0.659 57.026 56.400 -0.054 0.000 0.840 686 E CB -0.230 29.436 29.700 -0.056 0.000 0.772 686 E HN 0.129 nan 8.360 nan 0.000 0.491 687 D N 0.782 121.155 120.400 -0.045 0.000 2.608 687 D HA 0.022 4.665 4.640 0.003 0.000 0.224 687 D C 0.580 176.960 176.300 0.132 0.000 1.123 687 D CA 0.061 54.100 54.000 0.065 0.000 1.030 687 D CB -0.064 40.828 40.800 0.153 0.000 1.093 687 D HN -0.068 nan 8.370 nan 0.000 0.497 688 K N -0.108 120.344 120.400 0.087 0.000 2.288 688 K HA -0.080 4.242 4.320 0.003 0.000 0.201 688 K C 1.831 178.497 176.600 0.111 0.000 1.048 688 K CA 0.840 57.179 56.287 0.087 0.000 0.956 688 K CB 0.185 32.715 32.500 0.051 0.000 0.746 688 K HN 0.260 nan 8.250 nan 0.000 0.461 689 S N 0.394 116.166 115.700 0.121 0.000 2.562 689 S HA 0.045 4.517 4.470 0.003 0.000 0.221 689 S C 1.021 175.709 174.600 0.147 0.000 0.975 689 S CA 0.264 58.531 58.200 0.111 0.000 0.918 689 S CB 0.079 63.335 63.200 0.093 0.000 0.772 689 S HN 0.147 nan 8.310 nan 0.000 0.531 690 N N 0.959 119.803 118.700 0.240 0.000 2.338 690 N HA 0.437 5.179 4.740 0.003 0.000 0.251 690 N C 1.234 176.955 175.510 0.351 0.000 1.199 690 N CA 0.584 53.809 53.050 0.291 0.000 0.879 690 N CB 0.844 39.571 38.487 0.401 0.000 1.159 690 N HN 0.467 nan 8.380 nan 0.000 0.514 691 A N 1.467 124.443 122.820 0.260 0.000 1.873 691 A HA -0.187 4.135 4.320 0.003 0.000 0.218 691 A C 2.213 179.923 177.584 0.210 0.000 1.193 691 A CA 1.340 53.523 52.037 0.242 0.000 0.629 691 A CB -0.224 18.862 19.000 0.143 0.000 0.826 691 A HN 0.177 nan 8.150 nan 0.000 0.447 692 K N -0.748 119.728 120.400 0.127 0.000 2.032 692 K HA -0.102 4.220 4.320 0.003 0.000 0.209 692 K C 2.000 178.642 176.600 0.071 0.000 1.048 692 K CA 1.501 57.836 56.287 0.080 0.000 0.927 692 K CB -0.400 32.119 32.500 0.032 0.000 0.712 692 K HN 0.491 nan 8.250 nan 0.000 0.441 693 L N -0.845 120.399 121.223 0.035 0.000 2.012 693 L HA -0.218 4.124 4.340 0.003 0.000 0.210 693 L C 2.240 179.092 176.870 -0.030 0.000 1.073 693 L CA 1.561 56.347 54.840 -0.090 0.000 0.748 693 L CB -0.339 41.574 42.059 -0.243 0.000 0.891 693 L HN 0.396 nan 8.230 nan 0.000 0.431 694 W N 0.039 121.430 121.300 0.151 0.000 2.388 694 W HA -0.161 4.500 4.660 0.003 0.000 0.294 694 W C 2.477 179.076 176.519 0.133 0.000 1.212 694 W CA 0.426 57.887 57.345 0.193 0.000 1.271 694 W CB -0.257 29.323 29.460 0.199 0.000 1.126 694 W HN 0.205 nan 8.180 nan 0.000 0.535 695 N N 0.560 119.452 118.700 0.319 0.000 2.149 695 N HA -0.186 4.556 4.740 0.003 0.000 0.188 695 N C 1.310 176.908 175.510 0.147 0.000 1.019 695 N CA 1.830 54.999 53.050 0.198 0.000 0.857 695 N CB -0.636 37.933 38.487 0.136 0.000 0.997 695 N HN 0.388 nan 8.380 nan 0.000 0.426 696 E N 0.103 120.364 120.200 0.102 0.000 2.072 696 E HA -0.042 4.310 4.350 0.003 0.000 0.190 696 E C 1.982 178.624 176.600 0.070 0.000 0.982 696 E CA 0.645 57.075 56.400 0.051 0.000 0.803 696 E CB -0.006 29.687 29.700 -0.013 0.000 0.755 696 E HN 0.050 nan 8.360 nan 0.000 0.453 697 V N 1.773 121.745 119.914 0.097 0.000 2.332 697 V HA -0.266 3.856 4.120 0.003 0.000 0.248 697 V C 2.297 178.550 176.094 0.264 0.000 1.055 697 V CA 1.593 63.985 62.300 0.152 0.000 1.038 697 V CB -0.447 31.507 31.823 0.220 0.000 0.651 697 V HN 0.259 nan 8.190 nan 0.000 0.450 698 L N -0.090 121.312 121.223 0.299 0.000 2.156 698 L HA -0.056 4.286 4.340 0.003 0.000 0.208 698 L C 2.707 179.672 176.870 0.159 0.000 1.095 698 L CA 1.143 56.137 54.840 0.256 0.000 0.770 698 L CB -0.787 41.406 42.059 0.223 0.000 0.914 698 L HN 0.342 nan 8.230 nan 0.000 0.439 699 A N -0.284 122.611 122.820 0.126 0.000 1.986 699 A HA -0.131 4.191 4.320 0.003 0.000 0.220 699 A C 1.725 179.356 177.584 0.079 0.000 1.171 699 A CA 1.208 53.295 52.037 0.084 0.000 0.640 699 A CB -0.538 18.500 19.000 0.063 0.000 0.811 699 A HN 0.407 nan 8.150 nan 0.000 0.451 705 P HA 0.567 nan 4.420 nan 0.000 0.274 705 P C 0.586 177.905 177.300 0.030 0.000 1.231 705 P CA 0.221 63.343 63.100 0.036 0.000 0.790 705 P CB 1.735 33.460 31.700 0.042 0.000 0.951 706 A N 1.287 124.122 122.820 0.025 0.000 2.169 706 A HA 0.148 4.470 4.320 0.003 0.000 0.212 706 A C 0.899 178.496 177.584 0.022 0.000 1.153 706 A CA 0.613 52.662 52.037 0.021 0.000 0.756 706 A CB -0.180 18.830 19.000 0.017 0.000 0.813 706 A HN 0.565 nan 8.150 nan 0.000 0.471 707 S N -1.958 113.757 115.700 0.025 0.000 2.548 707 S HA 0.614 5.086 4.470 0.003 0.000 0.286 707 S C 0.587 175.207 174.600 0.033 0.000 1.098 707 S CA -0.240 57.975 58.200 0.026 0.000 0.930 707 S CB 1.558 64.771 63.200 0.022 0.000 1.070 707 S HN 1.502 nan 8.310 nan 0.000 0.480 708 G N 2.433 111.253 108.800 0.035 0.000 2.581 708 G HA2 -0.222 3.740 3.960 0.003 0.000 0.291 708 G HA3 -0.222 3.740 3.960 0.003 0.000 0.291 708 G C -0.008 174.925 174.900 0.054 0.000 1.277 708 G CA 0.121 45.248 45.100 0.045 0.000 0.959 708 G HN 1.665 nan 8.290 nan 0.000 0.554 709 S N -0.104 115.640 115.700 0.073 0.000 2.578 709 S HA 0.721 5.193 4.470 0.003 0.000 0.301 709 S C -1.429 173.239 174.600 0.113 0.000 1.091 709 S CA -0.528 57.727 58.200 0.092 0.000 1.032 709 S CB 2.684 65.951 63.200 0.111 0.000 1.064 709 S HN 0.439 nan 8.310 nan 0.000 0.508 710 P HA -0.029 nan 4.420 nan 0.000 0.218 710 P C 0.990 178.411 177.300 0.201 0.000 1.148 710 P CA 0.716 63.895 63.100 0.132 0.000 0.822 710 P CB -0.063 31.704 31.700 0.111 0.000 0.784 711 F N 0.729 120.726 119.950 0.080 0.000 2.234 711 F HA -0.139 4.391 4.527 0.005 0.000 0.299 711 F C 2.297 178.202 175.800 0.175 0.000 1.087 711 F CA 1.234 59.311 58.000 0.128 0.000 1.340 711 F CB -0.530 38.512 39.000 0.070 0.000 1.031 711 F HN -0.177 nan 8.300 nan 0.000 0.500 712 Q N 0.506 120.376 119.800 0.117 0.000 2.124 712 Q HA -0.187 4.155 4.340 0.003 0.000 0.202 712 Q C 2.060 178.049 176.000 -0.018 0.000 0.977 712 Q CA 1.914 57.726 55.803 0.015 0.000 0.850 712 Q CB -0.641 28.139 28.738 0.071 0.000 0.901 712 Q HN 0.521 nan 8.270 nan 0.000 0.429 713 L N -0.327 120.918 121.223 0.037 0.000 2.056 713 L HA -0.039 4.303 4.340 0.003 0.000 0.207 713 L C 2.049 178.937 176.870 0.031 0.000 1.078 713 L CA 1.808 56.670 54.840 0.038 0.000 0.749 713 L CB -0.872 41.227 42.059 0.067 0.000 0.901 713 L HN 0.413 nan 8.230 nan 0.000 0.433 714 F N -0.290 119.597 119.950 -0.106 0.000 2.069 714 F HA -0.279 4.249 4.527 0.001 0.000 0.298 714 F C 2.063 177.770 175.800 -0.155 0.000 1.113 714 F CA 2.031 59.959 58.000 -0.119 0.000 1.214 714 F CB -0.253 38.654 39.000 -0.155 0.000 0.978 714 F HN 0.061 nan 8.300 nan 0.000 0.474 715 L N -0.362 120.582 121.223 -0.465 0.000 2.012 715 L HA -0.273 4.069 4.340 0.003 0.000 0.210 715 L C 2.827 179.622 176.870 -0.125 0.000 1.073 715 L CA 1.633 56.227 54.840 -0.409 0.000 0.748 715 L CB -1.102 40.758 42.059 -0.331 0.000 0.891 715 L HN 0.304 nan 8.230 nan 0.000 0.431 716 S N 0.004 115.646 115.700 -0.097 0.000 2.374 716 S HA -0.276 4.196 4.470 0.003 0.000 0.227 716 S C 2.059 176.601 174.600 -0.096 0.000 1.037 716 S CA 2.045 60.208 58.200 -0.061 0.000 1.024 716 S CB -0.081 63.094 63.200 -0.042 0.000 0.861 716 S HN 0.240 nan 8.310 nan 0.000 0.456 717 K N 0.799 121.120 120.400 -0.131 0.000 2.103 717 K HA 0.089 4.411 4.320 0.003 0.000 0.204 717 K C 1.851 178.343 176.600 -0.180 0.000 1.052 717 K CA 1.487 57.693 56.287 -0.135 0.000 0.945 717 K CB -0.771 31.677 32.500 -0.088 0.000 0.722 717 K HN 0.291 nan 8.250 nan 0.000 0.443 718 V N 1.163 120.933 119.914 -0.240 0.000 2.287 718 V HA -0.243 3.880 4.120 0.003 0.000 0.248 718 V C 2.368 178.471 176.094 0.015 0.000 1.053 718 V CA 2.301 64.546 62.300 -0.092 0.000 1.027 718 V CB -0.532 31.218 31.823 -0.121 0.000 0.646 718 V HN 0.502 nan 8.190 nan 0.000 0.447 719 E N 0.031 120.206 120.200 -0.042 0.000 2.085 719 E HA -0.302 4.050 4.350 0.003 0.000 0.194 719 E C 2.294 178.802 176.600 -0.152 0.000 0.994 719 E CA 1.710 58.003 56.400 -0.178 0.000 0.801 719 E CB -0.119 29.417 29.700 -0.273 0.000 0.743 719 E HN 0.742 nan 8.360 nan 0.000 0.453 720 E N -0.609 119.504 120.200 -0.145 0.000 2.077 720 E HA -0.165 4.187 4.350 0.003 0.000 0.193 720 E C 1.822 178.294 176.600 -0.213 0.000 0.989 720 E CA 1.715 58.022 56.400 -0.155 0.000 0.800 720 E CB 0.002 29.620 29.700 -0.136 0.000 0.746 720 E HN 0.169 nan 8.360 nan 0.000 0.452 721 T N -0.183 114.189 114.554 -0.304 0.000 2.867 721 T HA -0.074 4.278 4.350 0.003 0.000 0.268 721 T C 0.598 174.854 174.700 -0.739 0.000 1.057 721 T CA 0.936 62.689 62.100 -0.578 0.000 1.136 721 T CB -0.135 68.230 68.868 -0.838 0.000 0.874 721 T HN 0.149 nan 8.240 nan 0.000 0.466 722 F N 1.310 121.133 119.950 -0.211 0.000 2.684 722 F HA 0.355 4.884 4.527 0.004 0.000 0.298 722 F C 0.754 176.477 175.800 -0.129 0.000 1.120 722 F CA -0.796 57.104 58.000 -0.168 0.000 1.332 722 F CB -0.025 38.872 39.000 -0.171 0.000 0.986 722 F HN -0.130 nan 8.300 nan 0.000 0.524 723 Q N 0.582 120.353 119.800 -0.048 0.000 2.300 723 Q HA -0.025 4.317 4.340 0.003 0.000 0.280 723 Q C 0.195 176.182 176.000 -0.022 0.000 1.033 723 Q CA 0.093 55.866 55.803 -0.050 0.000 0.903 723 Q CB 1.282 29.969 28.738 -0.086 0.000 1.195 723 Q HN 0.310 nan 8.270 nan 0.000 0.386 724 C N 4.095 123.396 119.300 0.002 0.000 2.514 724 C HA 0.139 4.601 4.460 0.003 0.000 0.392 724 C C 2.058 177.032 174.990 -0.027 0.000 1.294 724 C CA -0.594 58.428 59.018 0.006 0.000 1.957 724 C CB -0.779 26.978 27.740 0.029 0.000 2.541 724 C HN 0.895 nan 8.230 nan 0.000 0.569 725 I N 4.916 125.460 120.570 -0.043 0.000 2.454 725 I HA -0.056 4.116 4.170 0.003 0.000 0.254 725 I C 2.057 178.144 176.117 -0.049 0.000 1.156 725 I CA 1.623 62.887 61.300 -0.059 0.000 1.433 725 I CB -0.285 37.665 38.000 -0.084 0.000 1.082 725 I HN 0.883 nan 8.210 nan 0.000 0.432 726 C N -0.197 119.079 119.300 -0.041 0.000 2.476 726 C HA -0.102 4.360 4.460 0.003 0.000 0.278 726 C C 2.855 177.827 174.990 -0.031 0.000 1.274 726 C CA 0.829 59.823 59.018 -0.040 0.000 1.713 726 C CB -1.454 26.260 27.740 -0.044 0.000 2.039 726 C HN 0.761 nan 8.230 nan 0.000 0.484 727 C N -1.242 118.045 119.300 -0.021 0.000 3.183 727 C HA 0.278 4.740 4.460 0.003 0.000 0.285 727 C C 0.915 175.894 174.990 -0.017 0.000 1.313 727 C CA -0.108 58.901 59.018 -0.015 0.000 1.711 727 C CB -0.910 26.830 27.740 -0.001 0.000 2.135 727 C HN 0.667 nan 8.230 nan 0.000 0.651 728 Q N 0.765 120.551 119.800 -0.024 0.000 2.494 728 Q HA -0.145 4.197 4.340 0.003 0.000 0.266 728 Q C -0.538 175.442 176.000 -0.033 0.000 1.053 728 Q CA 1.598 57.381 55.803 -0.034 0.000 1.029 728 Q CB -1.568 27.148 28.738 -0.036 0.000 1.423 728 Q HN 0.820 nan 8.270 nan 0.000 0.516 729 E N 0.075 120.265 120.200 -0.016 0.000 2.320 729 E HA 0.439 4.791 4.350 0.003 0.000 0.264 729 E C 0.072 176.669 176.600 -0.006 0.000 0.923 729 E CA -1.346 55.047 56.400 -0.012 0.000 0.796 729 E CB 1.149 30.863 29.700 0.023 0.000 1.262 729 E HN 0.087 nan 8.360 nan 0.000 0.428 730 L N 2.073 123.266 121.223 -0.051 0.000 2.615 730 L HA -0.070 4.272 4.340 0.003 0.000 0.284 730 L C -0.021 176.929 176.870 0.134 0.000 1.237 730 L CA 0.209 55.004 54.840 -0.076 0.000 0.905 730 L CB 0.084 41.907 42.059 -0.393 0.000 1.149 730 L HN 0.334 nan 8.230 nan 0.000 0.499 731 V N 3.430 123.431 119.914 0.144 0.000 2.673 731 V HA 0.169 4.291 4.120 0.003 0.000 0.303 731 V C -0.104 176.232 176.094 0.404 0.000 1.046 731 V CA -0.388 62.042 62.300 0.218 0.000 1.126 731 V CB 0.039 31.964 31.823 0.170 0.000 0.934 731 V HN 0.651 nan 8.190 nan 0.000 0.487 732 F N 4.620 124.681 119.950 0.185 0.000 2.551 732 F HA 0.675 5.203 4.527 0.002 0.000 0.316 732 F C 0.763 176.604 175.800 0.068 0.000 1.089 732 F CA -1.399 56.684 58.000 0.139 0.000 0.915 732 F CB 1.562 40.570 39.000 0.012 0.000 1.186 732 F HN 0.749 nan 8.300 nan 0.000 0.456 733 R N 2.840 122.918 120.500 -0.704 0.000 3.158 733 R HA -0.134 4.208 4.340 0.003 0.000 0.244 733 R C -2.595 173.630 176.300 -0.125 0.000 0.900 733 R CA 0.251 56.098 56.100 -0.421 0.000 0.618 733 R CB -1.734 28.343 30.300 -0.373 0.000 1.061 733 R HN 0.279 nan 8.270 nan 0.000 0.471 734 P HA 0.088 nan 4.420 nan 0.000 0.271 734 P C 0.044 177.368 177.300 0.041 0.000 1.216 734 P CA 0.058 63.176 63.100 0.031 0.000 0.776 734 P CB 0.683 32.421 31.700 0.063 0.000 0.881 735 I N 2.861 123.472 120.570 0.068 0.000 2.336 735 I HA 0.190 4.362 4.170 0.003 0.000 0.292 735 I C 0.715 176.908 176.117 0.126 0.000 0.991 735 I CA -0.229 61.133 61.300 0.104 0.000 1.227 735 I CB 0.730 38.809 38.000 0.131 0.000 1.366 735 I HN 0.192 nan 8.210 nan 0.000 0.466 736 T N 5.162 119.796 114.554 0.134 0.000 2.832 736 T HA 0.273 4.625 4.350 0.003 0.000 0.313 736 T C 0.752 175.544 174.700 0.154 0.000 1.035 736 T CA -0.536 61.643 62.100 0.133 0.000 0.950 736 T CB 0.311 69.252 68.868 0.122 0.000 0.984 736 T HN 0.738 nan 8.240 nan 0.000 0.486 737 T N 0.107 114.752 114.554 0.152 0.000 2.802 737 T HA 0.134 4.486 4.350 0.003 0.000 0.305 737 T C 1.699 176.479 174.700 0.133 0.000 1.053 737 T CA -0.706 61.513 62.100 0.198 0.000 1.058 737 T CB 0.954 69.883 68.868 0.101 0.000 0.988 737 T HN 0.229 nan 8.240 nan 0.000 0.539 738 V N 1.026 121.067 119.914 0.213 0.000 2.568 738 V HA -0.159 3.963 4.120 0.003 0.000 0.253 738 V C 2.259 178.273 176.094 -0.133 0.000 1.072 738 V CA 2.118 64.467 62.300 0.082 0.000 1.084 738 V CB -1.302 30.628 31.823 0.180 0.000 0.676 738 V HN 1.128 nan 8.190 nan 0.000 0.469 739 C N 0.124 119.291 119.300 -0.222 0.000 2.625 739 C HA 0.397 4.859 4.460 0.003 0.000 0.285 739 C C 0.996 175.677 174.990 -0.515 0.000 1.279 739 C CA -0.478 58.303 59.018 -0.395 0.000 1.698 739 C CB -0.877 26.634 27.740 -0.382 0.000 1.821 739 C HN 0.677 nan 8.230 nan 0.000 0.600 740 Q N -0.089 119.505 119.800 -0.343 0.000 2.493 740 Q HA -0.190 4.152 4.340 0.003 0.000 0.278 740 Q C -0.703 175.039 176.000 -0.430 0.000 1.216 740 Q CA 1.413 57.026 55.803 -0.316 0.000 0.875 740 Q CB -2.340 26.235 28.738 -0.272 0.000 1.262 740 Q HN 0.949 nan 8.270 nan 0.000 0.468 741 H N -0.267 118.802 119.070 -0.001 0.000 2.569 741 H HA 0.507 5.065 4.556 0.003 0.000 0.357 741 H C 0.295 175.643 175.328 0.032 0.000 1.153 741 H CA -0.873 55.172 56.048 -0.005 0.000 1.193 741 H CB 1.160 30.911 29.762 -0.018 0.000 1.602 741 H HN 0.020 nan 8.280 nan 0.000 0.523 742 N N 1.814 120.614 118.700 0.167 0.000 2.417 742 N HA 0.311 5.053 4.740 0.003 0.000 0.274 742 N C -1.254 174.323 175.510 0.110 0.000 0.987 742 N CA -0.284 52.858 53.050 0.152 0.000 0.912 742 N CB 2.457 41.083 38.487 0.232 0.000 1.177 742 N HN 0.149 nan 8.380 nan 0.000 0.490 743 V N 1.542 121.509 119.914 0.088 0.000 2.789 743 V HA 0.314 4.436 4.120 0.003 0.000 0.311 743 V C 0.359 176.479 176.094 0.044 0.000 1.073 743 V CA -0.928 61.399 62.300 0.045 0.000 0.921 743 V CB 2.106 33.931 31.823 0.004 0.000 1.009 743 V HN 0.691 nan 8.190 nan 0.000 0.426 744 C N 2.794 122.119 119.300 0.043 0.000 2.679 744 C HA 0.069 4.531 4.460 0.003 0.000 0.417 744 C C 2.224 177.221 174.990 0.011 0.000 1.302 744 C CA -0.009 59.041 59.018 0.052 0.000 1.973 744 C CB -0.367 27.419 27.740 0.077 0.000 2.715 744 C HN 1.103 nan 8.230 nan 0.000 0.628 745 K N 1.059 121.465 120.400 0.010 0.000 2.057 745 K HA -0.171 4.151 4.320 0.003 0.000 0.207 745 K C 1.278 177.867 176.600 -0.019 0.000 1.049 745 K CA 1.956 58.241 56.287 -0.004 0.000 0.931 745 K CB -0.090 32.413 32.500 0.004 0.000 0.714 745 K HN 0.687 nan 8.250 nan 0.000 0.440 746 D N 0.372 120.777 120.400 0.009 0.000 2.144 746 D HA -0.139 4.503 4.640 0.003 0.000 0.199 746 D C 1.958 178.238 176.300 -0.033 0.000 0.984 746 D CA 1.003 55.006 54.000 0.005 0.000 0.834 746 D CB -0.425 40.398 40.800 0.039 0.000 0.955 746 D HN 0.294 nan 8.370 nan 0.000 0.465 747 C N 0.170 119.447 119.300 -0.038 0.000 2.446 747 C HA -0.055 4.407 4.460 0.003 0.000 0.277 747 C C 2.616 177.514 174.990 -0.153 0.000 1.275 747 C CA -0.028 58.948 59.018 -0.070 0.000 1.727 747 C CB -0.879 26.835 27.740 -0.044 0.000 2.010 747 C HN 0.297 nan 8.230 nan 0.000 0.486 748 L N 1.234 122.331 121.223 -0.210 0.000 2.056 748 L HA -0.091 4.251 4.340 0.003 0.000 0.207 748 L C 2.062 178.554 176.870 -0.630 0.000 1.078 748 L CA 1.981 56.542 54.840 -0.464 0.000 0.749 748 L CB -1.050 40.751 42.059 -0.430 0.000 0.901 748 L HN 0.277 nan 8.230 nan 0.000 0.433 749 D N -0.551 119.666 120.400 -0.305 0.000 2.123 749 D HA -0.193 4.449 4.640 0.003 0.000 0.196 749 D C 2.303 178.561 176.300 -0.070 0.000 0.992 749 D CA 1.209 55.138 54.000 -0.118 0.000 0.833 749 D CB -0.039 40.759 40.800 -0.003 0.000 0.954 749 D HN 0.366 nan 8.370 nan 0.000 0.455 750 R N 0.357 120.804 120.500 -0.088 0.000 2.081 750 R HA -0.064 4.278 4.340 0.003 0.000 0.235 750 R C 2.444 178.700 176.300 -0.074 0.000 1.131 750 R CA 1.087 57.154 56.100 -0.055 0.000 0.960 750 R CB -0.461 29.809 30.300 -0.051 0.000 0.856 750 R HN 0.026 nan 8.270 nan 0.000 0.436 751 S N 0.305 115.919 115.700 -0.143 0.000 2.356 751 S HA -0.128 4.344 4.470 0.003 0.000 0.223 751 S C 1.702 176.255 174.600 -0.079 0.000 1.032 751 S CA 1.146 59.262 58.200 -0.140 0.000 1.005 751 S CB -0.160 62.919 63.200 -0.201 0.000 0.867 751 S HN 0.182 nan 8.310 nan 0.000 0.449 752 F N 1.972 121.828 119.950 -0.156 0.000 2.171 752 F HA 0.124 4.653 4.527 0.004 0.000 0.300 752 F C 2.511 178.194 175.800 -0.194 0.000 1.090 752 F CA 0.696 58.557 58.000 -0.232 0.000 1.293 752 F CB -0.959 38.090 39.000 0.082 0.000 1.013 752 F HN 0.198 nan 8.300 nan 0.000 0.486 753 R N -0.094 120.477 120.500 0.117 0.000 2.152 753 R HA -0.031 4.312 4.340 0.003 0.000 0.232 753 R C 1.963 178.264 176.300 0.001 0.000 1.117 753 R CA 1.021 57.163 56.100 0.070 0.000 0.981 753 R CB -0.579 29.756 30.300 0.057 0.000 0.870 753 R HN 0.189 nan 8.270 nan 0.000 0.451 754 A N 0.939 123.726 122.820 -0.054 0.000 2.259 754 A HA -0.034 4.288 4.320 0.003 0.000 0.208 754 A C 0.183 177.681 177.584 -0.143 0.000 1.201 754 A CA 0.106 52.097 52.037 -0.077 0.000 0.824 754 A CB 0.203 19.158 19.000 -0.075 0.000 0.838 754 A HN 0.236 nan 8.150 nan 0.000 0.485 755 Q N -1.826 117.817 119.800 -0.261 0.000 2.494 755 Q HA -0.140 4.202 4.340 0.003 0.000 0.272 755 Q C -0.495 175.091 176.000 -0.690 0.000 1.145 755 Q CA 1.007 56.535 55.803 -0.458 0.000 0.943 755 Q CB -2.802 25.914 28.738 -0.037 0.000 1.338 755 Q HN 0.423 nan 8.270 nan 0.000 0.492 756 V N 1.273 120.760 119.914 -0.711 0.000 2.334 756 V HA 0.351 4.473 4.120 0.003 0.000 0.281 756 V C 0.420 176.264 176.094 -0.416 0.000 1.016 756 V CA -0.276 61.777 62.300 -0.410 0.000 0.832 756 V CB 0.503 32.225 31.823 -0.168 0.000 0.999 756 V HN 0.219 nan 8.190 nan 0.000 0.439 757 F N 2.346 122.365 119.950 0.115 0.000 2.837 757 F HA 0.293 4.822 4.527 0.003 0.000 0.298 757 F C 1.205 177.061 175.800 0.094 0.000 1.161 757 F CA -0.410 57.649 58.000 0.098 0.000 1.353 757 F CB 0.395 39.318 39.000 -0.127 0.000 0.951 757 F HN 0.479 nan 8.300 nan 0.000 0.508 758 S N -1.427 114.384 115.700 0.185 0.000 2.593 758 S HA 0.389 4.861 4.470 0.003 0.000 0.297 758 S C -0.258 174.406 174.600 0.107 0.000 1.112 758 S CA -1.112 57.153 58.200 0.108 0.000 1.043 758 S CB 1.441 64.673 63.200 0.053 0.000 1.054 758 S HN 0.225 nan 8.310 nan 0.000 0.516 759 C N 3.313 122.678 119.300 0.108 0.000 2.648 759 C HA 0.367 4.829 4.460 0.003 0.000 0.419 759 C C -1.213 173.795 174.990 0.030 0.000 1.352 759 C CA -1.262 57.809 59.018 0.088 0.000 1.816 759 C CB -0.276 27.565 27.740 0.168 0.000 2.598 759 C HN 0.779 nan 8.230 nan 0.000 0.598 760 P HA -0.019 nan 4.420 nan 0.000 0.222 760 P C 1.143 178.399 177.300 -0.073 0.000 1.147 760 P CA 1.874 64.948 63.100 -0.044 0.000 0.790 760 P CB 0.075 31.739 31.700 -0.061 0.000 0.780 761 A N -0.899 121.855 122.820 -0.111 0.000 1.943 761 A HA -0.060 4.262 4.320 0.003 0.000 0.213 761 A C 2.047 179.471 177.584 -0.266 0.000 1.181 761 A CA 1.566 53.449 52.037 -0.257 0.000 0.653 761 A CB -1.080 17.626 19.000 -0.491 0.000 0.833 761 A HN 0.415 nan 8.150 nan 0.000 0.451 762 C N -5.074 114.146 119.300 -0.134 0.000 3.785 762 C HA 0.534 4.996 4.460 0.003 0.000 0.312 762 C C 0.951 175.981 174.990 0.066 0.000 1.566 762 C CA 0.015 59.019 59.018 -0.024 0.000 1.837 762 C CB 0.115 27.922 27.740 0.111 0.000 2.826 762 C HN 0.487 nan 8.230 nan 0.000 0.667 763 R N -1.134 119.408 120.500 0.069 0.000 3.953 763 R HA -0.232 4.110 4.340 0.003 0.000 0.340 763 R C -0.180 176.184 176.300 0.106 0.000 1.195 763 R CA 1.050 57.192 56.100 0.070 0.000 0.929 763 R CB -2.955 27.364 30.300 0.031 0.000 1.402 763 R HN 0.856 nan 8.270 nan 0.000 0.540 764 Y N 2.240 122.566 120.300 0.044 0.000 2.805 764 Y HA 0.008 4.561 4.550 0.003 0.000 0.337 764 Y C 0.799 176.721 175.900 0.036 0.000 1.252 764 Y CA 0.227 58.353 58.100 0.043 0.000 1.515 764 Y CB 0.409 38.901 38.460 0.053 0.000 1.305 764 Y HN 0.053 nan 8.280 nan 0.000 0.600 765 D N 6.068 126.101 120.400 -0.612 0.000 2.402 765 D HA 0.081 4.723 4.640 0.003 0.000 0.235 765 D C 0.550 176.627 176.300 -0.372 0.000 1.226 765 D CA 0.237 54.012 54.000 -0.374 0.000 0.918 765 D CB 0.181 40.794 40.800 -0.312 0.000 1.043 765 D HN 0.740 nan 8.370 nan 0.000 0.506 766 L N 3.094 124.261 121.223 -0.093 0.000 2.141 766 L HA 0.169 4.511 4.340 0.003 0.000 0.209 766 L C 1.535 178.407 176.870 0.003 0.000 1.094 766 L CA 0.704 55.503 54.840 -0.068 0.000 0.763 766 L CB -0.844 41.023 42.059 -0.319 0.000 0.908 766 L HN 0.683 nan 8.230 nan 0.000 0.437 767 G N 0.041 108.811 108.800 -0.050 0.000 2.663 767 G HA2 -0.176 3.786 3.960 0.003 0.000 0.686 767 G HA3 -0.176 3.786 3.960 0.003 0.000 0.686 767 G C -0.598 174.070 174.900 -0.388 0.000 1.288 767 G CA -0.869 44.138 45.100 -0.154 0.000 0.836 767 G HN 0.141 nan 8.290 nan 0.000 0.584 768 R N -0.043 120.060 120.500 -0.662 0.000 2.641 768 R HA 0.520 4.862 4.340 0.003 0.000 0.269 768 R C 1.239 177.297 176.300 -0.403 0.000 1.074 768 R CA 0.634 56.198 56.100 -0.894 0.000 1.133 768 R CB 0.300 30.085 30.300 -0.859 0.000 1.029 768 R HN 1.306 nan 8.270 nan 0.000 0.488 769 S N 0.444 115.958 115.700 -0.311 0.000 3.641 769 S HA -0.234 4.238 4.470 0.003 0.000 0.346 769 S C -0.446 174.118 174.600 -0.059 0.000 1.074 769 S CA 0.647 58.767 58.200 -0.133 0.000 1.026 769 S CB -1.565 61.567 63.200 -0.113 0.000 0.908 769 S HN 0.590 nan 8.310 nan 0.000 0.479 770 Y N 2.215 122.402 120.300 -0.187 0.000 2.650 770 Y HA 0.381 4.933 4.550 0.003 0.000 0.342 770 Y C 0.543 176.481 175.900 0.064 0.000 1.110 770 Y CA -0.000 58.076 58.100 -0.039 0.000 1.438 770 Y CB -0.050 38.412 38.460 0.003 0.000 1.181 770 Y HN 0.457 nan 8.280 nan 0.000 0.526 771 A N 8.592 131.198 122.820 -0.357 0.000 2.404 771 A HA 0.457 4.779 4.320 0.003 0.000 0.273 771 A C -0.386 176.984 177.584 -0.356 0.000 1.144 771 A CA -0.334 51.557 52.037 -0.243 0.000 0.806 771 A CB -0.198 18.692 19.000 -0.184 0.000 1.080 771 A HN 0.907 nan 8.150 nan 0.000 0.509 772 M N 1.797 121.339 119.600 -0.097 0.000 2.528 772 M HA 0.488 4.970 4.480 0.003 0.000 0.321 772 M C -0.187 176.123 176.300 0.016 0.000 1.153 772 M CA -0.345 54.962 55.300 0.013 0.000 0.951 772 M CB 2.477 35.191 32.600 0.190 0.000 1.705 772 M HN 0.682 nan 8.290 nan 0.000 0.451 773 Q N 1.326 121.143 119.800 0.028 0.000 2.389 773 Q HA 0.554 4.896 4.340 0.003 0.000 0.277 773 Q C -1.414 174.604 176.000 0.030 0.000 1.082 773 Q CA -0.863 54.953 55.803 0.021 0.000 0.810 773 Q CB 2.668 31.409 28.738 0.005 0.000 1.374 773 Q HN 0.634 nan 8.270 nan 0.000 0.422 774 V N 3.712 123.633 119.914 0.010 0.000 2.673 774 V HA 0.116 4.238 4.120 0.003 0.000 0.303 774 V C 0.916 177.011 176.094 0.003 0.000 1.046 774 V CA 0.104 62.400 62.300 -0.006 0.000 1.126 774 V CB 0.848 32.639 31.823 -0.053 0.000 0.934 774 V HN 0.868 nan 8.190 nan 0.000 0.487 775 N N 3.711 122.420 118.700 0.015 0.000 2.466 775 N HA 0.014 4.756 4.740 0.003 0.000 0.263 775 N C 0.879 176.394 175.510 0.008 0.000 1.178 775 N CA 0.068 53.135 53.050 0.029 0.000 0.983 775 N CB 0.973 39.496 38.487 0.060 0.000 1.331 775 N HN 0.695 nan 8.380 nan 0.000 0.500 776 Q N 4.513 124.313 119.800 -0.000 0.000 2.079 776 Q HA 0.066 4.408 4.340 0.003 0.000 0.200 776 Q C -1.078 174.922 176.000 0.001 0.000 0.974 776 Q CA 1.600 57.396 55.803 -0.011 0.000 0.840 776 Q CB -0.671 28.059 28.738 -0.013 0.000 0.898 776 Q HN 0.462 nan 8.270 nan 0.000 0.430 777 P HA -0.146 nan 4.420 nan 0.000 0.215 777 P C 1.222 178.532 177.300 0.017 0.000 1.153 777 P CA 0.850 63.954 63.100 0.006 0.000 0.853 777 P CB -0.111 31.595 31.700 0.009 0.000 0.788 778 L N 0.050 121.300 121.223 0.045 0.000 2.017 778 L HA -0.180 4.162 4.340 0.003 0.000 0.208 778 L C 2.437 179.329 176.870 0.037 0.000 1.073 778 L CA 2.020 56.890 54.840 0.049 0.000 0.745 778 L CB -1.647 40.428 42.059 0.027 0.000 0.894 778 L HN -0.144 nan 8.230 nan 0.000 0.432 779 Q N -0.827 118.989 119.800 0.026 0.000 2.096 779 Q HA -0.188 4.154 4.340 0.003 0.000 0.204 779 Q C 2.040 178.096 176.000 0.093 0.000 0.982 779 Q CA 2.695 58.523 55.803 0.042 0.000 0.850 779 Q CB -0.637 28.068 28.738 -0.055 0.000 0.901 779 Q HN 0.572 nan 8.270 nan 0.000 0.422 780 T N -0.363 114.223 114.554 0.053 0.000 2.708 780 T HA -0.106 4.246 4.350 0.003 0.000 0.266 780 T C 1.796 176.540 174.700 0.073 0.000 1.037 780 T CA 1.426 63.559 62.100 0.055 0.000 1.146 780 T CB -0.412 68.468 68.868 0.019 0.000 0.865 780 T HN 0.119 nan 8.240 nan 0.000 0.435 781 V N 1.716 121.660 119.914 0.051 0.000 2.255 781 V HA -0.148 3.974 4.120 0.003 0.000 0.247 781 V C 2.518 178.698 176.094 0.143 0.000 1.051 781 V CA 1.608 63.939 62.300 0.052 0.000 1.018 781 V CB -0.735 31.079 31.823 -0.015 0.000 0.641 781 V HN 0.442 nan 8.190 nan 0.000 0.445 782 L N 0.070 121.411 121.223 0.196 0.000 2.093 782 L HA -0.140 4.202 4.340 0.003 0.000 0.208 782 L C 2.393 179.530 176.870 0.445 0.000 1.085 782 L CA 1.356 56.380 54.840 0.306 0.000 0.755 782 L CB -0.741 41.472 42.059 0.255 0.000 0.904 782 L HN 0.377 nan 8.230 nan 0.000 0.435 783 N N -0.145 118.803 118.700 0.413 0.000 2.244 783 N HA -0.203 4.539 4.740 0.003 0.000 0.183 783 N C 1.809 177.464 175.510 0.242 0.000 1.016 783 N CA 0.921 54.199 53.050 0.381 0.000 0.866 783 N CB -0.101 38.542 38.487 0.259 0.000 0.980 783 N HN 0.417 nan 8.380 nan 0.000 0.430 784 Q N 0.320 120.218 119.800 0.163 0.000 2.123 784 Q HA 0.048 4.390 4.340 0.003 0.000 0.199 784 Q C 1.800 177.841 176.000 0.069 0.000 0.966 784 Q CA 0.790 56.652 55.803 0.100 0.000 0.845 784 Q CB 0.085 28.862 28.738 0.064 0.000 0.907 784 Q HN 0.311 nan 8.270 nan 0.000 0.439 785 L N -0.752 120.478 121.223 0.011 0.000 2.179 785 L HA 0.008 4.350 4.340 0.003 0.000 0.208 785 L C 0.239 176.779 176.870 -0.550 0.000 1.096 785 L CA 0.484 55.155 54.840 -0.282 0.000 0.779 785 L CB 0.217 41.952 42.059 -0.540 0.000 0.922 785 L HN 0.166 nan 8.230 nan 0.000 0.443 786 F N -0.613 119.430 119.950 0.154 0.000 2.564 786 F HA 0.353 4.882 4.527 0.004 0.000 0.329 786 F C -2.345 173.619 175.800 0.274 0.000 1.458 786 F CA -2.655 55.438 58.000 0.156 0.000 1.117 786 F CB -0.166 38.834 39.000 0.000 0.000 1.383 786 F HN -0.236 nan 8.300 nan 0.000 0.571 787 P HA 0.158 nan 4.420 nan 0.000 0.262 787 P C 1.035 178.462 177.300 0.211 0.000 1.182 787 P CA 1.109 64.350 63.100 0.234 0.000 0.761 787 P CB 0.749 32.534 31.700 0.142 0.000 0.795 788 G N 2.898 111.788 108.800 0.149 0.000 2.179 788 G HA2 -0.365 3.597 3.960 0.003 0.000 0.260 788 G HA3 -0.365 3.597 3.960 0.003 0.000 0.260 788 G C 0.752 175.654 174.900 0.003 0.000 0.977 788 G CA 0.484 45.609 45.100 0.041 0.000 0.641 788 G HN 0.642 nan 8.290 nan 0.000 0.533 789 Y N -0.373 119.947 120.300 0.034 0.000 2.274 789 Y HA 0.216 4.767 4.550 0.001 0.000 0.290 789 Y C 2.152 177.938 175.900 -0.190 0.000 1.145 789 Y CA 1.426 59.507 58.100 -0.032 0.000 1.203 789 Y CB -0.561 37.910 38.460 0.018 0.000 0.984 789 Y HN 0.236 nan 8.280 nan 0.000 0.533 790 G N 1.018 109.140 108.800 -1.129 0.000 3.181 790 G HA2 -0.131 3.831 3.960 0.003 0.000 0.219 790 G HA3 -0.131 3.831 3.960 0.003 0.000 0.219 790 G C 0.008 174.350 174.900 -0.930 0.000 1.182 790 G CA -0.283 43.868 45.100 -1.581 0.000 0.791 790 G HN 0.347 nan 8.290 nan 0.000 0.537 791 N N 1.369 119.791 118.700 -0.463 0.000 2.365 791 N HA 0.148 4.890 4.740 0.003 0.000 0.265 791 N C 1.484 176.842 175.510 -0.255 0.000 1.288 791 N CA 1.182 54.073 53.050 -0.265 0.000 0.869 791 N CB 0.264 38.665 38.487 -0.143 0.000 1.071 791 N HN 0.360 nan 8.380 nan 0.000 0.480 792 G N 2.759 111.440 108.800 -0.198 0.000 2.166 792 G HA2 -0.299 3.663 3.960 0.003 0.000 0.260 792 G HA3 -0.299 3.663 3.960 0.003 0.000 0.260 792 G C 0.363 175.163 174.900 -0.167 0.000 0.986 792 G CA 0.651 45.666 45.100 -0.141 0.000 0.683 792 G HN 0.704 nan 8.290 nan 0.000 0.527 793 R N 0.000 120.315 120.500 -0.308 0.000 2.786 793 R HA 0.000 4.342 4.340 0.003 0.000 0.208 793 R CA 0.000 55.935 56.100 -0.274 0.000 0.921 793 R CB 0.000 29.972 30.300 -0.547 0.000 0.687 793 R HN 0.000 nan 8.270 nan 0.000 0.535