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 2rqq_1_A DATA FIRST_RESID 445 DATA SEQUENCE GPLGSMTRCP EQELRLQRLE RLPELARVLR NVFVSERKPA LTMEVVCARM DATA SEQUENCE VDSCQTALSP GEMEKHLVLL AELLPDWLSL HRIRTDTYVK LDKAVDLAGL DATA SEQUENCE TARLAHHVHA EGL 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 445 G HA2 0.000 nan 3.960 nan 0.000 0.244 445 G HA3 0.000 3.962 3.960 0.004 0.000 0.244 445 G C 0.000 174.903 174.900 0.005 0.000 0.946 445 G CA 0.000 45.103 45.100 0.004 0.000 0.502 446 P HA 0.125 4.549 4.420 0.005 0.000 0.274 446 P C 0.191 177.494 177.300 0.004 0.000 1.260 446 P CA -0.758 62.345 63.100 0.005 0.000 0.793 446 P CB 0.973 32.677 31.700 0.006 0.000 1.048 447 L N -0.391 120.835 121.223 0.004 0.000 2.479 447 L HA -0.044 4.298 4.340 0.003 0.000 0.270 447 L C 0.849 177.721 176.870 0.003 0.000 1.236 447 L CA 0.066 54.908 54.840 0.004 0.000 0.823 447 L CB 0.204 42.265 42.059 0.004 0.000 1.098 447 L HN 0.140 8.373 8.230 0.005 0.000 0.500 448 G N -2.162 106.640 108.800 0.003 0.000 2.614 448 G HA2 -0.132 3.829 3.960 0.003 0.000 0.239 448 G HA3 -0.132 3.829 3.960 0.002 0.000 0.239 448 G C -0.152 174.750 174.900 0.003 0.000 1.240 448 G CA -0.023 45.079 45.100 0.003 0.000 0.842 448 G HN -0.082 8.210 8.290 0.003 0.000 0.584 449 S N 0.603 116.305 115.700 0.003 0.000 3.559 449 S HA -0.366 4.106 4.470 0.003 0.000 0.369 449 S C -0.124 174.478 174.600 0.004 0.000 0.987 449 S CA 1.032 59.234 58.200 0.003 0.000 1.187 449 S CB -0.295 62.907 63.200 0.003 0.000 0.914 449 S HN 0.139 8.451 8.310 0.003 0.000 0.480 450 M N 0.132 119.735 119.600 0.004 0.000 2.336 450 M HA -0.150 4.332 4.480 0.005 0.000 0.371 450 M C 0.292 176.595 176.300 0.005 0.000 1.542 450 M CA 1.245 56.548 55.300 0.005 0.000 0.959 450 M CB -0.134 32.470 32.600 0.005 0.000 2.033 450 M HN -0.258 8.034 8.290 0.004 0.000 0.472 451 T N 3.454 118.011 114.554 0.005 0.000 2.886 451 T HA 0.314 4.667 4.350 0.005 0.000 0.330 451 T C 0.016 174.720 174.700 0.005 0.000 1.488 451 T CA -0.396 61.707 62.100 0.005 0.000 1.054 451 T CB 0.858 69.728 68.868 0.004 0.000 1.348 451 T HN 0.251 8.494 8.240 0.005 0.000 0.489 452 R N 1.757 122.261 120.500 0.006 0.000 3.484 452 R HA -0.210 4.134 4.340 0.006 0.000 0.260 452 R C -1.112 175.192 176.300 0.007 0.000 1.053 452 R CA 0.766 56.870 56.100 0.006 0.000 0.703 452 R CB -1.987 28.316 30.300 0.005 0.000 1.089 452 R HN 0.514 8.787 8.270 0.005 0.000 0.459 453 C N 0.044 119.348 119.300 0.007 0.000 2.463 453 C HA 0.245 4.709 4.460 0.008 0.000 0.380 453 C C -0.473 174.523 174.990 0.010 0.000 1.264 453 C CA -2.826 56.197 59.018 0.008 0.000 2.161 453 C CB 0.652 28.397 27.740 0.008 0.000 2.515 453 C HN -0.170 8.041 8.230 0.007 0.024 0.565 454 P HA 0.020 4.737 4.420 0.013 -0.290 0.249 454 P C -0.284 177.025 177.300 0.015 0.000 1.241 454 P CA 1.028 64.136 63.100 0.012 0.000 0.781 454 P CB 0.297 32.004 31.700 0.011 0.000 1.088 455 E N -2.016 118.193 120.200 0.015 0.000 2.385 455 E HA -0.195 4.167 4.350 0.019 0.000 0.194 455 E C 1.137 177.749 176.600 0.020 0.000 1.013 455 E CA 1.589 57.999 56.400 0.017 0.000 0.866 455 E CB -1.065 28.644 29.700 0.015 0.000 0.832 455 E HN 0.326 8.608 8.360 0.013 0.086 0.500 456 Q N -0.297 119.513 119.800 0.017 0.000 2.234 456 Q HA -0.363 3.987 4.340 0.018 0.000 0.206 456 Q C 2.146 178.159 176.000 0.021 0.000 0.980 456 Q CA 2.861 58.674 55.803 0.017 0.000 0.869 456 Q CB -0.903 27.843 28.738 0.014 0.000 0.912 456 Q HN -0.565 7.714 8.270 0.015 0.000 0.436 457 E N -0.764 119.450 120.200 0.023 0.000 2.076 457 E HA -0.189 4.176 4.350 0.025 0.000 0.190 457 E C 1.585 178.208 176.600 0.038 0.000 0.979 457 E CA 2.090 58.507 56.400 0.027 0.000 0.807 457 E CB -0.993 28.723 29.700 0.026 0.000 0.761 457 E HN 0.152 8.508 8.360 0.020 0.016 0.454 458 L N -0.740 120.507 121.223 0.039 0.000 2.261 458 L HA -0.284 4.094 4.340 0.062 0.000 0.216 458 L C 2.320 179.226 176.870 0.059 0.000 1.114 458 L CA 2.236 57.106 54.840 0.050 0.000 0.777 458 L CB -0.915 41.166 42.059 0.037 0.000 0.910 458 L HN -0.346 7.828 8.230 0.031 0.075 0.440 459 R N -0.686 119.843 120.500 0.048 0.000 2.062 459 R HA -0.196 4.180 4.340 0.060 0.000 0.226 459 R C 1.785 178.120 176.300 0.058 0.000 1.125 459 R CA 3.002 59.133 56.100 0.052 0.000 0.966 459 R CB -0.487 29.835 30.300 0.037 0.000 0.861 459 R HN -0.492 7.735 8.270 0.039 0.066 0.433 460 L N -2.598 118.653 121.223 0.046 0.000 2.270 460 L HA 0.133 4.496 4.340 0.039 0.000 0.210 460 L C 1.754 178.651 176.870 0.045 0.000 1.104 460 L CA 2.406 57.269 54.840 0.039 0.000 0.804 460 L CB -0.276 41.797 42.059 0.024 0.000 0.937 460 L HN -0.660 7.594 8.230 0.040 0.000 0.450 461 Q N -0.726 119.108 119.800 0.057 0.000 2.061 461 Q HA -0.403 3.960 4.340 0.038 0.000 0.204 461 Q C 2.446 178.501 176.000 0.092 0.000 0.984 461 Q CA 2.584 58.426 55.803 0.066 0.000 0.846 461 Q CB -1.209 27.581 28.738 0.087 0.000 0.902 461 Q HN 0.627 8.825 8.270 0.056 0.105 0.421 462 R N -0.517 120.077 120.500 0.157 0.000 2.103 462 R HA -0.311 4.243 4.340 0.356 0.000 0.242 462 R C 2.250 178.623 176.300 0.121 0.000 1.142 462 R CA 3.135 59.364 56.100 0.214 0.000 0.960 462 R CB -0.319 30.107 30.300 0.210 0.000 0.858 462 R HN -0.733 7.621 8.270 0.141 0.000 0.439 463 L N -3.277 117.999 121.223 0.089 0.000 2.131 463 L HA -0.276 4.113 4.340 0.081 0.000 0.210 463 L C 0.772 177.658 176.870 0.026 0.000 1.092 463 L CA 2.599 57.476 54.840 0.061 0.000 0.759 463 L CB -0.018 42.069 42.059 0.047 0.000 0.903 463 L HN -0.697 7.506 8.230 0.087 0.079 0.435 464 E N -3.979 116.227 120.200 0.010 0.000 2.190 464 E HA -0.210 4.133 4.350 -0.011 0.000 0.191 464 E C 1.998 178.574 176.600 -0.041 0.000 0.978 464 E CA 1.672 58.064 56.400 -0.013 0.000 0.839 464 E CB 0.357 30.050 29.700 -0.012 0.000 0.787 464 E HN -0.202 8.170 8.360 0.020 0.000 0.473 465 R N -0.727 119.725 120.500 -0.080 0.000 2.062 465 R HA -0.173 4.071 4.340 -0.160 0.000 0.226 465 R C 2.166 178.387 176.300 -0.132 0.000 1.125 465 R CA 1.664 57.648 56.100 -0.193 0.000 0.966 465 R CB -0.201 29.798 30.300 -0.501 0.000 0.861 465 R HN 0.124 8.362 8.270 -0.053 0.000 0.433 466 L N -0.306 120.888 121.223 -0.047 0.000 1.997 466 L HA -0.248 4.121 4.340 0.048 0.000 0.216 466 L C -0.355 176.526 176.870 0.019 0.000 1.074 466 L CA 5.711 60.567 54.840 0.027 0.000 0.763 466 L CB -2.900 39.202 42.059 0.072 0.000 0.890 466 L HN 0.217 8.435 8.230 -0.021 0.000 0.434 467 P HA -0.127 4.277 4.420 -0.027 0.000 0.218 467 P C 1.532 178.823 177.300 -0.014 0.000 1.152 467 P CA 2.034 65.124 63.100 -0.017 0.000 0.826 467 P CB -0.298 31.388 31.700 -0.023 0.000 0.790 468 E N 0.049 120.238 120.200 -0.018 0.000 2.023 468 E HA -0.299 4.045 4.350 -0.010 0.000 0.196 468 E C 2.452 179.055 176.600 0.006 0.000 1.003 468 E CA 2.863 59.255 56.400 -0.014 0.000 0.809 468 E CB -0.280 29.402 29.700 -0.030 0.000 0.755 468 E HN -0.661 7.684 8.360 -0.025 0.000 0.449 469 L N -2.007 119.216 121.223 0.001 0.000 2.127 469 L HA -0.371 3.989 4.340 0.033 0.000 0.211 469 L C 2.120 179.063 176.870 0.122 0.000 1.089 469 L CA 3.029 57.894 54.840 0.040 0.000 0.757 469 L CB -1.267 40.803 42.059 0.018 0.000 0.899 469 L HN 0.454 8.553 8.230 -0.033 0.112 0.434 470 A N -1.928 120.967 122.820 0.124 0.000 1.978 470 A HA -0.308 4.273 4.320 0.436 0.000 0.220 470 A C 1.883 179.556 177.584 0.149 0.000 1.170 470 A CA 3.243 55.386 52.037 0.177 0.000 0.636 470 A CB -0.664 18.317 19.000 -0.031 0.000 0.810 470 A HN -0.252 7.812 8.150 0.066 0.125 0.448 471 R N -2.850 117.693 120.500 0.072 0.000 2.140 471 R HA -0.114 4.260 4.340 0.057 0.000 0.213 471 R C 2.128 178.478 176.300 0.082 0.000 1.059 471 R CA 2.165 58.300 56.100 0.057 0.000 1.000 471 R CB -0.243 30.067 30.300 0.016 0.000 0.910 471 R HN -0.404 7.769 8.270 0.049 0.126 0.455 472 V N -1.908 118.054 119.914 0.081 0.000 2.719 472 V HA -0.121 4.040 4.120 0.068 0.000 0.252 472 V C 1.129 177.285 176.094 0.104 0.000 1.065 472 V CA 2.746 65.091 62.300 0.076 0.000 1.086 472 V CB -0.009 31.844 31.823 0.050 0.000 0.700 472 V HN -0.580 7.653 8.190 0.072 0.000 0.467 473 L N 1.183 122.491 121.223 0.141 0.000 2.042 473 L HA -0.378 4.024 4.340 0.103 0.000 0.210 473 L C 1.654 178.619 176.870 0.159 0.000 1.076 473 L CA 3.882 58.807 54.840 0.142 0.000 0.749 473 L CB -1.148 41.013 42.059 0.171 0.000 0.893 473 L HN 0.583 8.908 8.230 0.159 0.000 0.432 474 R N -1.703 118.909 120.500 0.187 0.000 2.096 474 R HA -0.383 4.022 4.340 0.109 0.000 0.235 474 R C 1.899 178.296 176.300 0.162 0.000 1.127 474 R CA 3.400 59.592 56.100 0.152 0.000 0.968 474 R CB -0.823 29.559 30.300 0.137 0.000 0.861 474 R HN -0.293 8.106 8.270 0.214 0.000 0.440 475 N N -1.356 117.422 118.700 0.131 0.000 2.216 475 N HA -0.183 4.624 4.740 0.112 0.000 0.183 475 N C 2.431 178.011 175.510 0.116 0.000 1.017 475 N CA 3.222 56.338 53.050 0.110 0.000 0.861 475 N CB -0.092 38.440 38.487 0.076 0.000 0.986 475 N HN -0.860 7.475 8.380 0.120 0.118 0.428 476 V N 0.936 120.920 119.914 0.118 0.000 2.358 476 V HA -0.523 3.634 4.120 0.062 0.000 0.246 476 V C 1.418 177.583 176.094 0.120 0.000 1.047 476 V CA 4.498 66.855 62.300 0.095 0.000 1.035 476 V CB -0.039 31.829 31.823 0.076 0.000 0.658 476 V HN 0.257 8.413 8.190 0.118 0.105 0.452 477 F N 0.776 120.732 119.950 0.010 0.000 2.069 477 F HA -0.437 4.091 4.527 0.001 0.000 0.298 477 F C 1.309 177.119 175.800 0.016 0.000 1.113 477 F CA 3.860 61.865 58.000 0.008 0.000 1.214 477 F CB 0.376 39.380 39.000 0.006 0.000 0.978 477 F HN -0.318 8.166 8.300 0.307 0.000 0.474 478 V N -2.538 117.552 119.914 0.293 0.000 2.719 478 V HA -0.476 3.723 4.120 0.131 0.000 0.252 478 V C 0.590 176.716 176.094 0.053 0.000 1.065 478 V CA 2.483 64.887 62.300 0.174 0.000 1.086 478 V CB -0.082 31.871 31.823 0.217 0.000 0.700 478 V HN -0.782 7.647 8.190 0.398 0.000 0.467 479 S N -1.761 113.968 115.700 0.048 0.000 2.383 479 S HA -0.260 4.224 4.470 0.022 0.000 0.229 479 S C 1.794 176.385 174.600 -0.016 0.000 1.030 479 S CA 2.985 61.196 58.200 0.018 0.000 1.002 479 S CB 0.221 63.435 63.200 0.024 0.000 0.829 479 S HN -0.197 8.162 8.310 0.081 0.000 0.467 480 E N -0.653 119.517 120.200 -0.050 0.000 2.340 480 E HA -0.008 4.310 4.350 -0.053 0.000 0.194 480 E C -0.285 176.247 176.600 -0.114 0.000 0.996 480 E CA -0.452 55.899 56.400 -0.080 0.000 0.869 480 E CB 0.449 30.092 29.700 -0.096 0.000 0.835 480 E HN -0.818 7.485 8.360 -0.052 0.026 0.493 481 R N -5.395 115.013 120.500 -0.152 0.000 3.531 481 R HA -0.397 3.853 4.340 -0.149 0.000 0.280 481 R C -0.884 175.277 176.300 -0.231 0.000 1.130 481 R CA 1.069 57.076 56.100 -0.155 0.000 0.757 481 R CB -2.171 28.090 30.300 -0.066 0.000 1.218 481 R HN -0.384 7.693 8.270 -0.147 0.105 0.454 482 K N -1.848 118.301 120.400 -0.419 0.000 2.426 482 K HA 0.412 4.597 4.320 -0.224 0.000 0.251 482 K C -1.875 174.368 176.600 -0.595 0.000 0.941 482 K CA -3.180 52.894 56.287 -0.356 0.000 0.808 482 K CB 2.096 34.479 32.500 -0.195 0.000 1.265 482 K HN -0.860 7.032 8.250 -0.595 0.000 0.432 483 P HA -0.085 4.387 4.420 0.088 0.000 0.229 483 P C -1.813 175.526 177.300 0.065 0.000 1.160 483 P CA 0.796 63.872 63.100 -0.040 0.000 0.777 483 P CB 0.729 32.458 31.700 0.047 0.000 0.814 484 A N -4.081 118.746 122.820 0.012 0.000 2.486 484 A HA 0.447 5.020 4.320 0.166 -0.153 0.300 484 A C -1.495 176.209 177.584 0.200 0.000 1.048 484 A CA -1.305 50.818 52.037 0.143 0.000 0.696 484 A CB 3.041 22.128 19.000 0.145 0.000 1.278 484 A HN -0.797 7.279 8.150 -0.050 0.043 0.405 485 L N 1.848 123.181 121.223 0.185 0.000 2.362 485 L HA 0.413 4.770 4.340 0.027 0.000 0.275 485 L C -0.315 176.465 176.870 -0.149 0.000 0.998 485 L CA -1.455 53.407 54.840 0.037 0.000 0.820 485 L CB 2.648 44.697 42.059 -0.018 0.000 1.270 485 L HN 0.455 8.792 8.230 0.179 0.000 0.415 486 T N 3.087 117.335 114.554 -0.511 0.000 2.868 486 T HA 0.220 4.103 4.350 -1.058 -0.168 0.292 486 T C 2.040 176.533 174.700 -0.345 0.000 1.028 486 T CA -0.035 61.585 62.100 -0.801 0.000 1.059 486 T CB 0.817 69.149 68.868 -0.893 0.000 0.991 486 T HN 0.355 8.371 8.240 -0.374 0.000 0.531 487 M N 2.186 121.622 119.600 -0.273 0.000 2.255 487 M HA -0.462 3.952 4.480 -0.110 0.000 0.259 487 M C 1.692 177.918 176.300 -0.124 0.000 1.071 487 M CA 4.980 60.191 55.300 -0.149 0.000 1.074 487 M CB -1.016 31.515 32.600 -0.115 0.000 1.384 487 M HN 0.328 8.426 8.290 -0.321 0.000 0.415 488 E N -0.449 119.659 120.200 -0.152 0.000 2.046 488 E HA -0.357 3.945 4.350 -0.080 0.000 0.190 488 E C 1.731 178.277 176.600 -0.089 0.000 0.982 488 E CA 2.692 59.028 56.400 -0.107 0.000 0.800 488 E CB -0.141 29.495 29.700 -0.107 0.000 0.756 488 E HN 0.046 8.225 8.360 -0.219 0.049 0.449 489 V N 0.293 120.142 119.914 -0.109 0.000 2.261 489 V HA -0.418 3.667 4.120 -0.060 0.000 0.246 489 V C 1.893 177.953 176.094 -0.057 0.000 1.047 489 V CA 4.170 66.424 62.300 -0.077 0.000 1.015 489 V CB -0.074 31.698 31.823 -0.084 0.000 0.642 489 V HN -0.640 7.455 8.190 -0.158 0.000 0.446 490 V N -0.103 119.773 119.914 -0.064 0.000 2.343 490 V HA -0.451 3.657 4.120 -0.020 0.000 0.247 490 V C 1.815 177.896 176.094 -0.022 0.000 1.051 490 V CA 4.923 67.203 62.300 -0.034 0.000 1.036 490 V CB -0.411 31.392 31.823 -0.034 0.000 0.654 490 V HN 0.140 8.273 8.190 -0.095 0.000 0.451 491 C N -1.168 118.114 119.300 -0.031 0.000 2.419 491 C HA -0.344 4.112 4.460 -0.008 0.000 0.281 491 C C 1.137 176.119 174.990 -0.014 0.000 1.336 491 C CA 2.265 61.271 59.018 -0.019 0.000 1.770 491 C CB -0.711 27.013 27.740 -0.027 0.000 1.929 491 C HN -0.222 7.979 8.230 -0.048 0.000 0.509 492 A N 0.339 123.148 122.820 -0.019 0.000 1.871 492 A HA -0.077 4.237 4.320 -0.010 0.000 0.211 492 A C 1.250 178.831 177.584 -0.006 0.000 1.207 492 A CA 2.697 54.727 52.037 -0.013 0.000 0.620 492 A CB 0.114 19.103 19.000 -0.018 0.000 0.860 492 A HN -0.418 7.563 8.150 -0.028 0.153 0.450 493 R N -1.096 119.400 120.500 -0.007 0.000 2.073 493 R HA -0.223 4.119 4.340 0.003 0.000 0.229 493 R C 2.548 178.855 176.300 0.012 0.000 1.120 493 R CA 2.812 58.914 56.100 0.003 0.000 0.967 493 R CB -0.237 30.063 30.300 0.001 0.000 0.862 493 R HN 0.315 8.576 8.270 -0.014 0.000 0.436 494 M N -1.483 118.125 119.600 0.013 0.000 2.346 494 M HA -0.281 4.215 4.480 0.027 0.000 0.263 494 M C 0.745 177.054 176.300 0.016 0.000 1.064 494 M CA 2.928 58.240 55.300 0.020 0.000 1.083 494 M CB -0.701 31.913 32.600 0.023 0.000 1.399 494 M HN -0.041 8.253 8.290 0.007 0.000 0.435 495 V N -1.809 118.112 119.914 0.012 0.000 2.426 495 V HA -0.351 3.776 4.120 0.011 0.000 0.242 495 V C 2.311 178.411 176.094 0.009 0.000 1.036 495 V CA 3.828 66.134 62.300 0.010 0.000 1.044 495 V CB 0.013 31.841 31.823 0.007 0.000 0.688 495 V HN -0.781 7.264 8.190 0.008 0.150 0.462 496 D N -1.774 118.630 120.400 0.008 0.000 2.259 496 D HA -0.093 4.551 4.640 0.007 0.000 0.216 496 D C 1.392 177.699 176.300 0.011 0.000 0.961 496 D CA 2.380 56.385 54.000 0.008 0.000 0.878 496 D CB 0.848 41.650 40.800 0.004 0.000 1.009 496 D HN -0.208 8.166 8.370 0.006 0.000 0.490 497 S N -0.971 114.738 115.700 0.015 0.000 2.383 497 S HA -0.136 4.347 4.470 0.020 0.000 0.227 497 S C 0.494 175.109 174.600 0.024 0.000 1.026 497 S CA 2.075 60.289 58.200 0.022 0.000 0.981 497 S CB 0.547 63.764 63.200 0.030 0.000 0.818 497 S HN -0.066 8.136 8.310 0.014 0.116 0.472 498 C N 1.476 120.789 119.300 0.022 0.000 2.657 498 C HA -0.117 4.356 4.460 0.023 0.000 0.420 498 C C 0.795 175.793 174.990 0.013 0.000 1.323 498 C CA 0.690 59.719 59.018 0.019 0.000 1.894 498 C CB 1.853 29.602 27.740 0.015 0.000 2.681 498 C HN -0.698 7.544 8.230 0.021 0.000 0.613 499 Q N 4.988 124.795 119.800 0.011 0.000 2.170 499 Q HA -0.195 4.150 4.340 0.008 0.000 0.203 499 Q C -0.043 175.960 176.000 0.005 0.000 0.976 499 Q CA 1.673 57.480 55.803 0.007 0.000 0.858 499 Q CB -0.262 28.480 28.738 0.006 0.000 0.907 499 Q HN 0.156 8.434 8.270 0.012 0.000 0.433 500 T N 3.755 118.311 114.554 0.003 0.000 2.756 500 T HA 0.096 4.447 4.350 0.002 0.000 0.290 500 T C -1.803 172.899 174.700 0.003 0.000 0.985 500 T CA -0.398 61.703 62.100 0.001 0.000 0.955 500 T CB 0.857 69.723 68.868 -0.004 0.000 0.930 500 T HN -0.730 7.489 8.240 0.003 0.022 0.451 501 A N 9.198 132.021 122.820 0.005 0.000 2.475 501 A HA -0.086 4.390 4.320 0.008 -0.151 0.293 501 A C -0.633 176.957 177.584 0.010 0.000 1.252 501 A CA -0.036 52.006 52.037 0.008 0.000 0.920 501 A CB -0.048 18.956 19.000 0.007 0.000 1.125 501 A HN 0.431 8.584 8.150 0.005 0.000 0.528 502 L N 2.200 123.431 121.223 0.013 0.000 2.418 502 L HA 0.112 4.465 4.340 0.022 0.000 0.265 502 L C -0.411 176.476 176.870 0.029 0.000 1.143 502 L CA 0.145 54.999 54.840 0.023 0.000 0.809 502 L CB 1.562 43.637 42.059 0.027 0.000 1.124 502 L HN -0.167 8.070 8.230 0.012 0.000 0.456 503 S N 3.468 119.189 115.700 0.036 0.000 2.576 503 S HA 0.286 4.769 4.470 0.023 0.000 0.276 503 S C -0.713 173.909 174.600 0.036 0.000 1.339 503 S CA -1.721 56.498 58.200 0.032 0.000 1.039 503 S CB 0.368 63.587 63.200 0.032 0.000 0.902 503 S HN 0.012 8.348 8.310 0.044 0.000 0.516 504 P HA -0.039 4.394 4.420 0.023 0.000 0.226 504 P C 1.392 178.702 177.300 0.017 0.000 1.153 504 P CA 1.453 64.564 63.100 0.018 0.000 0.777 504 P CB 0.297 32.001 31.700 0.007 0.000 0.794 505 G N -0.700 108.110 108.800 0.016 0.000 2.402 505 G HA2 -0.203 3.757 3.960 0.000 0.000 0.216 505 G HA3 -0.203 3.761 3.960 0.007 0.000 0.216 505 G C 1.597 176.500 174.900 0.004 0.000 1.162 505 G CA 1.509 46.614 45.100 0.007 0.000 0.777 505 G HN 0.189 8.454 8.290 0.018 0.036 0.539 506 E N 0.803 121.020 120.200 0.028 0.000 2.170 506 E HA -0.070 4.243 4.350 -0.061 0.000 0.191 506 E C 1.874 178.527 176.600 0.088 0.000 0.981 506 E CA 1.216 57.635 56.400 0.030 0.000 0.830 506 E CB -0.351 29.430 29.700 0.135 0.000 0.775 506 E HN -0.744 7.643 8.360 0.044 0.000 0.470 507 M N 1.169 120.838 119.600 0.116 0.000 2.110 507 M HA -0.495 4.098 4.480 0.187 0.000 0.257 507 M C 1.475 177.822 176.300 0.077 0.000 1.071 507 M CA 4.462 59.834 55.300 0.119 0.000 1.096 507 M CB -0.016 32.622 32.600 0.062 0.000 1.300 507 M HN -0.185 8.159 8.290 0.090 0.000 0.411 508 E N -1.365 118.850 120.200 0.024 0.000 2.058 508 E HA -0.389 3.965 4.350 0.007 0.000 0.194 508 E C 2.182 178.773 176.600 -0.016 0.000 0.997 508 E CA 3.596 59.996 56.400 0.001 0.000 0.801 508 E CB -0.503 29.190 29.700 -0.012 0.000 0.746 508 E HN -0.420 7.951 8.360 0.019 0.000 0.450 509 K N -3.175 117.187 120.400 -0.063 0.000 2.148 509 K HA -0.238 4.032 4.320 -0.084 0.000 0.204 509 K C 2.407 178.908 176.600 -0.165 0.000 1.050 509 K CA 2.332 58.539 56.287 -0.132 0.000 0.942 509 K CB -0.556 31.818 32.500 -0.210 0.000 0.724 509 K HN -0.242 7.971 8.250 -0.063 0.000 0.446 510 H N 0.251 119.331 119.070 0.017 0.000 2.384 510 H HA -0.052 4.519 4.556 0.025 0.000 0.300 510 H C 2.362 177.703 175.328 0.021 0.000 1.057 510 H CA 3.166 59.228 56.048 0.023 0.000 1.370 510 H CB 0.555 30.335 29.762 0.029 0.000 1.417 510 H HN -0.407 7.747 8.280 -0.048 0.097 0.527 511 L N -1.003 120.297 121.223 0.129 0.000 2.012 511 L HA -0.379 4.004 4.340 0.070 0.000 0.210 511 L C 2.318 179.211 176.870 0.038 0.000 1.073 511 L CA 3.367 58.247 54.840 0.067 0.000 0.748 511 L CB -0.163 41.919 42.059 0.038 0.000 0.891 511 L HN 0.106 8.412 8.230 0.128 0.000 0.431 512 V N -1.685 118.244 119.914 0.024 0.000 2.427 512 V HA -0.373 3.753 4.120 0.010 0.000 0.248 512 V C 1.148 177.249 176.094 0.012 0.000 1.051 512 V CA 3.637 65.943 62.300 0.010 0.000 1.048 512 V CB 0.254 32.076 31.823 -0.002 0.000 0.666 512 V HN -0.502 7.700 8.190 0.021 0.000 0.456 513 L N -0.969 120.263 121.223 0.015 0.000 2.131 513 L HA -0.341 3.989 4.340 -0.017 0.000 0.210 513 L C 1.564 178.441 176.870 0.012 0.000 1.092 513 L CA 2.585 57.427 54.840 0.004 0.000 0.759 513 L CB -0.267 41.797 42.059 0.009 0.000 0.903 513 L HN -0.782 7.457 8.230 0.015 0.000 0.435 514 L N -1.819 119.439 121.223 0.059 0.000 1.970 514 L HA -0.450 3.949 4.340 0.100 0.000 0.212 514 L C 1.981 178.892 176.870 0.068 0.000 1.071 514 L CA 3.191 58.086 54.840 0.093 0.000 0.751 514 L CB -1.631 40.511 42.059 0.139 0.000 0.889 514 L HN -0.348 7.928 8.230 0.076 0.000 0.432 515 A N -2.736 120.107 122.820 0.038 0.000 1.978 515 A HA -0.269 4.371 4.320 0.040 -0.296 0.220 515 A C 1.112 178.708 177.584 0.020 0.000 1.170 515 A CA 2.283 54.337 52.037 0.028 0.000 0.636 515 A CB -0.400 18.608 19.000 0.013 0.000 0.810 515 A HN -0.515 7.652 8.150 0.028 0.000 0.448 516 E N -3.337 116.865 120.200 0.003 0.000 2.204 516 E HA -0.265 4.085 4.350 0.001 0.000 0.194 516 E C 1.451 178.032 176.600 -0.032 0.000 0.989 516 E CA 1.718 58.111 56.400 -0.012 0.000 0.824 516 E CB 0.147 29.834 29.700 -0.022 0.000 0.756 516 E HN -0.529 7.742 8.360 0.004 0.091 0.477 517 L N -3.839 117.352 121.223 -0.054 0.000 2.202 517 L HA -0.032 4.254 4.340 -0.090 0.000 0.205 517 L C -0.051 176.831 176.870 0.020 0.000 1.083 517 L CA 1.096 55.895 54.840 -0.068 0.000 0.790 517 L CB 1.465 43.444 42.059 -0.135 0.000 0.942 517 L HN -0.545 7.530 8.230 -0.034 0.135 0.452 518 L N -7.839 113.417 121.223 0.056 0.000 2.620 518 L HA 0.564 4.942 4.340 0.064 0.000 0.261 518 L C -2.639 174.284 176.870 0.088 0.000 0.978 518 L CA -2.075 52.816 54.840 0.085 0.000 0.897 518 L CB 1.468 43.599 42.059 0.120 0.000 1.207 518 L HN -0.111 8.153 8.230 0.056 0.000 0.425 519 P HA 0.192 4.809 4.420 0.036 -0.175 0.252 519 P C -0.309 177.020 177.300 0.049 0.000 1.265 519 P CA 1.033 64.159 63.100 0.043 0.000 0.775 519 P CB -0.025 31.693 31.700 0.030 0.000 1.128 520 D N -3.012 117.439 120.400 0.084 0.000 2.394 520 D HA -0.112 4.564 4.640 0.060 0.000 0.226 520 D C 0.119 176.510 176.300 0.151 0.000 0.990 520 D CA 2.100 56.156 54.000 0.094 0.000 0.902 520 D CB 0.539 41.394 40.800 0.091 0.000 1.038 520 D HN -0.238 8.057 8.370 0.106 0.139 0.499 521 W N 1.179 122.475 121.300 -0.006 0.000 2.526 521 W HA -0.026 4.621 4.660 -0.023 0.000 0.294 521 W C -1.462 175.052 176.519 -0.009 0.000 1.181 521 W CA 1.261 58.598 57.345 -0.014 0.000 1.373 521 W CB 2.099 31.551 29.460 -0.015 0.000 1.112 521 W HN -0.589 7.765 8.180 0.291 0.000 0.545 522 L N -2.003 119.140 121.223 -0.134 0.000 2.362 522 L HA 0.761 5.037 4.340 -0.454 -0.208 0.275 522 L C -2.386 174.423 176.870 -0.101 0.000 0.998 522 L CA -1.281 53.384 54.840 -0.291 0.000 0.820 522 L CB 2.944 44.806 42.059 -0.328 0.000 1.270 522 L HN -0.880 7.417 8.230 0.111 0.000 0.415 523 S N 5.125 120.770 115.700 -0.092 0.000 2.561 523 S HA 0.420 4.887 4.470 -0.005 0.000 0.303 523 S C -1.806 172.804 174.600 0.017 0.000 1.110 523 S CA -1.350 56.838 58.200 -0.020 0.000 1.034 523 S CB 2.643 65.834 63.200 -0.014 0.000 1.010 523 S HN 0.546 8.773 8.310 -0.138 0.000 0.482 524 L N 6.446 127.691 121.223 0.037 0.000 2.315 524 L HA 0.114 4.494 4.340 0.067 0.000 0.283 524 L C -0.242 176.705 176.870 0.128 0.000 1.089 524 L CA -0.082 54.797 54.840 0.064 0.000 0.833 524 L CB -0.577 41.503 42.059 0.035 0.000 1.170 524 L HN 0.646 8.892 8.230 0.027 0.000 0.442 525 H N 7.741 126.835 119.070 0.040 0.000 2.708 525 H HA 0.260 4.833 4.556 0.027 0.000 0.320 525 H C -2.004 173.370 175.328 0.077 0.000 0.991 525 H CA -1.635 54.440 56.048 0.046 0.000 1.243 525 H CB 3.002 32.785 29.762 0.036 0.000 1.446 525 H HN 0.836 9.235 8.280 0.198 0.000 0.502 526 R N 7.699 128.035 120.500 -0.274 0.000 2.267 526 R HA -0.056 4.308 4.340 -0.130 -0.102 0.319 526 R C -0.979 175.058 176.300 -0.439 0.000 1.067 526 R CA -0.102 55.854 56.100 -0.241 0.000 0.936 526 R CB -0.058 30.180 30.300 -0.103 0.000 1.006 526 R HN 0.513 8.711 8.270 -0.120 0.000 0.452 527 I N 6.744 127.164 120.570 -0.251 0.000 3.503 527 I HA 0.059 4.061 4.170 -0.281 0.000 0.240 527 I C 0.261 176.331 176.117 -0.079 0.000 1.315 527 I CA -1.183 60.012 61.300 -0.176 0.000 0.759 527 I CB 1.778 39.747 38.000 -0.051 0.000 1.733 527 I HN 0.050 8.207 8.210 -0.089 0.000 0.854 528 R N -1.085 119.393 120.500 -0.037 0.000 2.119 528 R HA -0.260 4.068 4.340 -0.021 0.000 0.246 528 R C 0.460 176.754 176.300 -0.011 0.000 1.146 528 R CA 2.680 58.770 56.100 -0.017 0.000 0.962 528 R CB 0.001 30.298 30.300 -0.005 0.000 0.863 528 R HN 0.248 8.497 8.270 -0.035 0.000 0.442 529 T N -5.745 108.809 114.554 0.001 0.000 3.172 529 T HA 0.081 4.426 4.350 -0.008 0.000 0.261 529 T C -1.187 173.514 174.700 0.001 0.000 0.854 529 T CA 0.201 62.301 62.100 -0.001 0.000 0.848 529 T CB 1.084 69.952 68.868 0.001 0.000 1.267 529 T HN -0.458 7.775 8.240 0.015 0.016 0.581 530 D N 0.020 120.435 120.400 0.024 0.000 2.432 530 D HA 0.159 4.784 4.640 -0.025 0.000 0.258 530 D C -1.317 174.994 176.300 0.019 0.000 1.146 530 D CA -0.382 53.625 54.000 0.011 0.000 1.015 530 D CB 1.605 42.419 40.800 0.023 0.000 1.107 530 D HN -0.430 7.970 8.370 0.050 0.000 0.529 531 T N 1.219 115.753 114.554 -0.034 0.000 2.812 531 T HA 0.281 4.759 4.350 0.028 -0.112 0.282 531 T C -1.221 173.451 174.700 -0.047 0.000 0.990 531 T CA 0.046 62.141 62.100 -0.009 0.000 0.960 531 T CB 1.026 69.876 68.868 -0.031 0.000 0.948 531 T HN 0.195 8.371 8.240 -0.106 0.000 0.438 532 Y N 5.756 126.027 120.300 -0.048 0.000 2.457 532 Y HA 0.599 5.324 4.550 -0.007 -0.180 0.333 532 Y C -1.359 174.558 175.900 0.028 0.000 1.119 532 Y CA -0.878 57.222 58.100 0.000 0.000 1.143 532 Y CB 2.750 41.230 38.460 0.033 0.000 1.230 532 Y HN 0.988 9.420 8.280 0.254 0.000 0.469 533 V N -0.280 119.729 119.914 0.158 0.000 2.715 533 V HA 0.715 5.057 4.120 0.098 -0.164 0.310 533 V C -2.037 174.119 176.094 0.102 0.000 1.054 533 V CA -2.700 59.656 62.300 0.093 0.000 0.928 533 V CB 4.020 35.854 31.823 0.019 0.000 1.007 533 V HN 0.855 9.022 8.190 0.135 0.104 0.437 534 K N 7.005 127.429 120.400 0.041 0.000 2.426 534 K HA 0.441 4.832 4.320 0.117 0.000 0.254 534 K C -2.309 174.201 176.600 -0.149 0.000 0.936 534 K CA -1.467 54.834 56.287 0.023 0.000 0.801 534 K CB 2.483 34.999 32.500 0.027 0.000 1.139 534 K HN 0.239 8.495 8.250 0.011 0.000 0.424 535 L N 0.958 122.047 121.223 -0.223 0.000 2.371 535 L HA 0.958 5.091 4.340 -0.732 -0.232 0.262 535 L C -1.326 175.237 176.870 -0.513 0.000 1.006 535 L CA -2.025 52.453 54.840 -0.603 0.000 0.818 535 L CB 3.584 45.102 42.059 -0.901 0.000 1.354 535 L HN 0.159 8.376 8.230 -0.022 0.000 0.415 536 D N 1.808 121.960 120.400 -0.413 0.000 2.365 536 D HA 0.172 4.644 4.640 -0.281 0.000 0.237 536 D C 0.534 176.826 176.300 -0.015 0.000 1.190 536 D CA 0.614 54.538 54.000 -0.128 0.000 0.867 536 D CB 0.463 41.342 40.800 0.132 0.000 1.050 536 D HN 0.034 7.974 8.370 -0.717 0.000 0.491 537 K N 4.203 124.374 120.400 -0.383 0.000 2.362 537 K HA -0.359 3.921 4.320 -0.067 0.000 0.200 537 K C 0.405 176.972 176.600 -0.055 0.000 1.046 537 K CA 1.832 57.981 56.287 -0.230 0.000 0.952 537 K CB -0.429 31.814 32.500 -0.429 0.000 0.753 537 K HN 0.162 7.952 8.250 -0.765 0.000 0.466 538 A N -2.010 120.783 122.820 -0.045 0.000 2.251 538 A HA 0.084 4.398 4.320 -0.010 0.000 0.209 538 A C 0.009 177.597 177.584 0.007 0.000 1.187 538 A CA -0.389 51.641 52.037 -0.011 0.000 0.823 538 A CB -0.349 18.642 19.000 -0.014 0.000 0.846 538 A HN -0.327 7.716 8.150 -0.085 0.056 0.486 539 V N 0.983 120.918 119.914 0.035 0.000 3.096 539 V HA -0.145 3.964 4.120 -0.019 0.000 0.306 539 V C -0.457 175.592 176.094 -0.075 0.000 1.088 539 V CA 0.552 62.838 62.300 -0.023 0.000 1.129 539 V CB 1.106 32.889 31.823 -0.066 0.000 1.014 539 V HN -0.673 7.510 8.190 0.095 0.064 0.486 540 D N 7.794 128.133 120.400 -0.100 0.000 2.344 540 D HA 0.081 4.675 4.640 -0.077 0.000 0.253 540 D C 0.867 177.071 176.300 -0.160 0.000 1.255 540 D CA -0.010 53.928 54.000 -0.102 0.000 0.894 540 D CB 0.497 41.250 40.800 -0.080 0.000 1.067 540 D HN 0.165 8.472 8.370 -0.105 0.000 0.492 541 L N 6.614 127.748 121.223 -0.148 0.000 2.021 541 L HA -0.374 3.797 4.340 -0.283 0.000 0.215 541 L C 0.987 177.747 176.870 -0.182 0.000 1.074 541 L CA 3.261 57.988 54.840 -0.188 0.000 0.760 541 L CB -0.305 41.686 42.059 -0.114 0.000 0.889 541 L HN 0.445 8.613 8.230 -0.104 0.000 0.433 542 A N -3.161 119.584 122.820 -0.125 0.000 2.032 542 A HA -0.324 3.937 4.320 -0.098 0.000 0.221 542 A C 2.275 179.789 177.584 -0.116 0.000 1.165 542 A CA 2.234 54.208 52.037 -0.104 0.000 0.645 542 A CB -0.897 18.058 19.000 -0.075 0.000 0.807 542 A HN 0.023 8.111 8.150 -0.103 0.000 0.453 543 G N -2.008 106.708 108.800 -0.138 0.000 2.402 543 G HA2 -0.235 3.664 3.960 -0.101 0.000 0.216 543 G HA3 -0.235 3.638 3.960 -0.144 0.000 0.216 543 G C 0.965 175.762 174.900 -0.173 0.000 1.162 543 G CA 1.774 46.791 45.100 -0.138 0.000 0.777 543 G HN 0.017 8.053 8.290 -0.151 0.164 0.539 544 L N 1.681 122.740 121.223 -0.273 0.000 1.988 544 L HA -0.167 4.003 4.340 -0.283 0.000 0.207 544 L C 2.187 178.943 176.870 -0.191 0.000 1.071 544 L CA 2.681 57.324 54.840 -0.327 0.000 0.744 544 L CB -1.306 40.368 42.059 -0.643 0.000 0.893 544 L HN -0.492 7.545 8.230 -0.320 0.000 0.433 545 T N -1.148 113.303 114.554 -0.172 0.000 2.897 545 T HA -0.378 3.926 4.350 -0.077 0.000 0.271 545 T C 1.044 175.697 174.700 -0.079 0.000 1.084 545 T CA 3.591 65.631 62.100 -0.101 0.000 1.123 545 T CB -0.079 68.734 68.868 -0.091 0.000 0.865 545 T HN -0.528 7.583 8.240 -0.215 0.000 0.496 546 A N 0.190 122.957 122.820 -0.088 0.000 1.878 546 A HA -0.009 4.266 4.320 -0.074 0.000 0.213 546 A C 1.394 178.936 177.584 -0.071 0.000 1.192 546 A CA 2.102 54.093 52.037 -0.076 0.000 0.619 546 A CB -0.038 18.918 19.000 -0.072 0.000 0.837 546 A HN -0.520 7.416 8.150 -0.109 0.149 0.446 547 R N -2.552 117.917 120.500 -0.051 0.000 2.119 547 R HA -0.186 4.152 4.340 -0.003 0.000 0.222 547 R C 2.378 178.719 176.300 0.068 0.000 1.088 547 R CA 2.222 58.323 56.100 0.002 0.000 0.984 547 R CB 0.331 30.638 30.300 0.012 0.000 0.884 547 R HN -0.138 8.090 8.270 -0.071 0.000 0.447 548 L N -1.328 119.918 121.223 0.039 0.000 2.376 548 L HA 0.027 4.453 4.340 0.144 0.000 0.219 548 L C 0.677 177.619 176.870 0.119 0.000 1.133 548 L CA 1.695 56.588 54.840 0.089 0.000 0.816 548 L CB -0.220 41.864 42.059 0.041 0.000 0.933 548 L HN 0.383 8.603 8.230 -0.017 0.000 0.449 549 A N -0.886 121.955 122.820 0.034 0.000 2.104 549 A HA -0.452 3.888 4.320 0.035 0.000 0.223 549 A C 1.527 179.157 177.584 0.078 0.000 1.164 549 A CA 2.743 54.788 52.037 0.013 0.000 0.659 549 A CB -1.290 17.669 19.000 -0.069 0.000 0.808 549 A HN 0.020 8.127 8.150 -0.010 0.036 0.465 550 H N -2.355 116.809 119.070 0.156 0.000 2.394 550 H HA -0.315 4.331 4.556 0.150 0.000 0.297 550 H C 2.333 177.747 175.328 0.143 0.000 1.113 550 H CA 2.962 59.105 56.048 0.159 0.000 1.277 550 H CB -0.204 29.645 29.762 0.146 0.000 1.370 550 H HN -0.371 7.913 8.280 0.121 0.068 0.506 551 H N -3.060 116.125 119.070 0.192 0.000 2.448 551 H HA -0.025 4.610 4.556 0.132 0.000 0.292 551 H C 1.925 177.319 175.328 0.111 0.000 1.035 551 H CA 2.982 59.111 56.048 0.134 0.000 1.349 551 H CB 0.354 30.183 29.762 0.111 0.000 1.425 551 H HN -0.195 8.348 8.280 0.461 0.013 0.539 552 V N 1.837 121.857 119.914 0.178 0.000 2.594 552 V HA -0.465 3.705 4.120 0.083 0.000 0.253 552 V C 1.164 177.290 176.094 0.053 0.000 1.069 552 V CA 3.680 66.030 62.300 0.084 0.000 1.082 552 V CB -0.381 31.462 31.823 0.033 0.000 0.680 552 V HN -0.250 7.970 8.190 0.193 0.086 0.469 553 H N 0.230 119.309 119.070 0.016 0.000 2.518 553 H HA -0.369 4.183 4.556 -0.006 0.000 0.292 553 H C 0.771 176.093 175.328 -0.010 0.000 1.068 553 H CA 2.466 58.514 56.048 -0.001 0.000 1.275 553 H CB -0.024 29.741 29.762 0.005 0.000 1.375 553 H HN -0.051 8.331 8.280 0.196 0.015 0.563 554 A N -2.184 120.700 122.820 0.107 0.000 1.940 554 A HA -0.290 4.056 4.320 0.044 0.000 0.219 554 A C 1.366 178.979 177.584 0.048 0.000 1.176 554 A CA 2.555 54.624 52.037 0.053 0.000 0.631 554 A CB -0.204 18.812 19.000 0.027 0.000 0.814 554 A HN -0.363 7.677 8.150 0.095 0.167 0.446 555 E N -3.811 116.409 120.200 0.034 0.000 2.413 555 E HA 0.059 4.421 4.350 0.019 0.000 0.203 555 E C 0.696 177.286 176.600 -0.018 0.000 0.957 555 E CA -0.612 55.796 56.400 0.013 0.000 0.950 555 E CB 1.799 31.504 29.700 0.009 0.000 0.957 555 E HN -0.615 7.751 8.360 0.035 0.015 0.497 556 G N 0.142 108.903 108.800 -0.064 0.000 2.392 556 G HA2 -0.357 3.369 3.960 -0.390 0.000 0.215 556 G HA3 -0.357 3.522 3.960 -0.135 0.000 0.215 556 G C -0.920 173.869 174.900 -0.184 0.000 1.097 556 G CA -0.096 44.891 45.100 -0.189 0.000 0.840 556 G HN -0.218 7.989 8.290 -0.043 0.057 0.492 557 L N 0.000 121.131 121.223 -0.153 0.000 2.949 557 L HA 0.000 4.286 4.340 -0.090 0.000 0.249 557 L CA 0.000 54.775 54.840 -0.108 0.000 0.813 557 L CB 0.000 41.982 42.059 -0.128 0.000 0.961 557 L HN 0.000 8.148 8.230 -0.136 0.000 0.502