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 2qms_1_A DATA FIRST_RESID 420 DATA SEQUENCE SLSAAIHRTQ LWFHGRISRE ESQRLIGQQG LVDGLFLVRE SQRNPQGFVL DATA SEQUENCE SLCHLQKVKH YLILPSEEEG RLYFSMDDGQ TRFTDLLQLV EFHQLNRGIL DATA SEQUENCE PCLLRHCCTR VAL 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 420 S HA 0.000 nan 4.470 nan 0.000 0.327 420 S C 0.000 174.607 174.600 0.012 0.000 1.055 420 S CA 0.000 58.204 58.200 0.007 0.000 1.107 420 S CB 0.000 63.203 63.200 0.006 0.000 0.593 421 L N 3.204 124.435 121.223 0.014 0.000 2.012 421 L HA -0.056 4.285 4.340 0.001 0.000 0.210 421 L C 2.185 179.073 176.870 0.030 0.000 1.073 421 L CA 2.855 57.706 54.840 0.019 0.000 0.748 421 L CB -0.687 41.381 42.059 0.016 0.000 0.891 421 L HN 0.494 nan 8.230 nan 0.000 0.431 422 S N -0.899 114.819 115.700 0.031 0.000 2.428 422 S HA -0.004 4.467 4.470 0.001 0.000 0.230 422 S C 2.089 176.719 174.600 0.050 0.000 1.014 422 S CA 0.578 58.806 58.200 0.046 0.000 0.957 422 S CB -0.854 62.370 63.200 0.039 0.000 0.784 422 S HN 0.508 nan 8.310 nan 0.000 0.499 423 A N 2.028 124.861 122.820 0.022 0.000 1.930 423 A HA 0.350 4.671 4.320 0.001 0.000 0.217 423 A C 2.500 180.118 177.584 0.057 0.000 1.175 423 A CA 1.572 53.615 52.037 0.010 0.000 0.627 423 A CB -1.370 17.626 19.000 -0.008 0.000 0.815 423 A HN 0.803 nan 8.150 nan 0.000 0.443 424 A N 0.508 123.357 122.820 0.049 0.000 1.873 424 A HA 0.001 4.322 4.320 0.001 0.000 0.215 424 A C 1.937 179.560 177.584 0.065 0.000 1.186 424 A CA 1.435 53.501 52.037 0.049 0.000 0.616 424 A CB -0.603 18.414 19.000 0.028 0.000 0.823 424 A HN 1.021 nan 8.150 nan 0.000 0.442 425 I N -3.639 116.972 120.570 0.069 0.000 3.861 425 I HA 0.183 4.354 4.170 0.001 0.000 0.329 425 I C 0.655 176.822 176.117 0.084 0.000 1.321 425 I CA -0.417 60.914 61.300 0.051 0.000 1.126 425 I CB -0.575 37.442 38.000 0.027 0.000 1.018 425 I HN 0.339 nan 8.210 nan 0.000 0.407 426 H N 4.259 123.338 119.070 0.015 0.000 3.107 426 H HA 0.044 4.601 4.556 0.001 0.000 0.301 426 H C 0.182 175.523 175.328 0.021 0.000 0.981 426 H CA 0.738 56.801 56.048 0.025 0.000 1.443 426 H CB 0.410 30.186 29.762 0.023 0.000 1.479 426 H HN 0.485 nan 8.280 nan 0.000 0.564 427 R N 1.382 121.707 120.500 -0.293 0.000 3.908 427 R HA -0.167 4.174 4.340 0.001 0.000 0.381 427 R C 1.170 177.395 176.300 -0.124 0.000 1.135 427 R CA 1.008 56.959 56.100 -0.249 0.000 0.990 427 R CB -2.413 27.694 30.300 -0.321 0.000 1.557 427 R HN 0.798 nan 8.270 nan 0.000 0.535 428 T N -2.437 112.066 114.554 -0.086 0.000 3.057 428 T HA -0.033 4.318 4.350 0.001 0.000 0.254 428 T C 0.600 175.184 174.700 -0.193 0.000 1.094 428 T CA 0.200 62.235 62.100 -0.108 0.000 1.088 428 T CB 0.266 69.088 68.868 -0.077 0.000 0.934 428 T HN 0.236 nan 8.240 nan 0.000 0.497 429 Q N 0.860 120.542 119.800 -0.196 0.000 2.453 429 Q HA -0.138 4.202 4.340 0.001 0.000 0.330 429 Q C 0.716 176.250 176.000 -0.776 0.000 1.417 429 Q CA 0.283 55.771 55.803 -0.525 0.000 0.902 429 Q CB -2.693 25.670 28.738 -0.625 0.000 1.154 429 Q HN 0.638 nan 8.270 nan 0.000 0.395 430 L N -1.140 119.852 121.223 -0.385 0.000 2.633 430 L HA -0.090 4.251 4.340 0.001 0.000 0.235 430 L C 2.157 178.924 176.870 -0.172 0.000 1.163 430 L CA 0.830 55.519 54.840 -0.252 0.000 0.859 430 L CB -0.640 41.354 42.059 -0.108 0.000 0.973 430 L HN 0.565 nan 8.230 nan 0.000 0.451 431 W N -1.323 120.010 121.300 0.055 0.000 2.905 431 W HA 0.037 4.698 4.660 0.001 0.000 0.251 431 W C 0.651 177.332 176.519 0.270 0.000 1.305 431 W CA -0.589 56.779 57.345 0.038 0.000 1.465 431 W CB -0.616 28.781 29.460 -0.106 0.000 1.122 431 W HN -0.032 nan 8.180 nan 0.000 0.659 432 F N 2.764 122.637 119.950 -0.128 0.000 2.411 432 F HA 0.292 4.820 4.527 0.001 0.000 0.350 432 F C 1.119 176.983 175.800 0.106 0.000 1.114 432 F CA -0.637 57.391 58.000 0.046 0.000 1.135 432 F CB 0.557 39.361 39.000 -0.326 0.000 1.120 432 F HN -0.086 nan 8.300 nan 0.000 0.495 433 H N 4.285 122.914 119.070 -0.736 0.000 2.755 433 H HA 0.241 4.797 4.556 0.001 0.000 0.273 433 H C 1.349 176.281 175.328 -0.661 0.000 1.055 433 H CA 0.154 55.891 56.048 -0.518 0.000 1.191 433 H CB 0.505 30.124 29.762 -0.238 0.000 1.536 433 H HN 0.930 nan 8.280 nan 0.000 0.529 434 G N 2.194 110.243 108.800 -1.251 0.000 2.564 434 G HA2 -0.354 3.607 3.960 0.001 0.000 0.273 434 G HA3 -0.354 3.607 3.960 0.001 0.000 0.273 434 G C -0.030 174.742 174.900 -0.214 0.000 1.242 434 G CA -0.169 44.578 45.100 -0.588 0.000 0.951 434 G HN 0.428 nan 8.290 nan 0.000 0.564 435 R N 0.797 121.254 120.500 -0.072 0.000 2.210 435 R HA 0.560 4.901 4.340 0.001 0.000 0.338 435 R C 0.489 176.769 176.300 -0.033 0.000 1.062 435 R CA 0.130 56.209 56.100 -0.036 0.000 0.902 435 R CB -0.400 29.889 30.300 -0.020 0.000 1.050 435 R HN 0.818 nan 8.270 nan 0.000 0.461 436 I N 0.339 120.894 120.570 -0.026 0.000 2.994 436 I HA 0.448 4.618 4.170 0.001 0.000 0.306 436 I C -0.295 175.810 176.117 -0.020 0.000 1.195 436 I CA -1.121 60.170 61.300 -0.015 0.000 1.001 436 I CB 2.296 40.297 38.000 0.002 0.000 1.244 436 I HN 0.541 nan 8.210 nan 0.000 0.437 437 S N 3.293 118.980 115.700 -0.022 0.000 2.593 437 S HA 0.265 4.736 4.470 0.001 0.000 0.269 437 S C 1.098 175.671 174.600 -0.045 0.000 1.334 437 S CA -0.229 57.950 58.200 -0.035 0.000 1.015 437 S CB 1.484 64.666 63.200 -0.031 0.000 0.912 437 S HN 0.966 nan 8.310 nan 0.000 0.541 438 R N 1.005 121.450 120.500 -0.092 0.000 2.133 438 R HA -0.248 4.093 4.340 0.001 0.000 0.245 438 R C 2.293 178.558 176.300 -0.058 0.000 1.137 438 R CA 2.293 58.295 56.100 -0.164 0.000 0.947 438 R CB -0.703 29.423 30.300 -0.290 0.000 0.865 438 R HN 0.973 nan 8.270 nan 0.000 0.437 439 E N -0.071 120.105 120.200 -0.040 0.000 2.118 439 E HA -0.267 4.084 4.350 0.001 0.000 0.195 439 E C 1.801 178.408 176.600 0.010 0.000 0.992 439 E CA 1.732 58.130 56.400 -0.004 0.000 0.804 439 E CB -0.059 29.635 29.700 -0.010 0.000 0.741 439 E HN 0.386 nan 8.360 nan 0.000 0.458 440 E N 0.692 120.894 120.200 0.003 0.000 2.106 440 E HA -0.166 4.184 4.350 0.001 0.000 0.192 440 E C 2.039 178.647 176.600 0.014 0.000 0.984 440 E CA 1.721 58.127 56.400 0.009 0.000 0.806 440 E CB -0.259 29.445 29.700 0.007 0.000 0.750 440 E HN 0.318 nan 8.360 nan 0.000 0.458 441 S N -0.063 115.647 115.700 0.018 0.000 2.356 441 S HA -0.275 4.195 4.470 0.001 0.000 0.223 441 S C 2.079 176.704 174.600 0.042 0.000 1.032 441 S CA 1.357 59.568 58.200 0.018 0.000 1.005 441 S CB -0.541 62.707 63.200 0.080 0.000 0.867 441 S HN 0.385 nan 8.310 nan 0.000 0.449 442 Q N 0.702 120.551 119.800 0.083 0.000 2.124 442 Q HA -0.045 4.296 4.340 0.001 0.000 0.202 442 Q C 2.515 178.536 176.000 0.036 0.000 0.977 442 Q CA 1.326 57.172 55.803 0.071 0.000 0.850 442 Q CB -0.231 28.564 28.738 0.095 0.000 0.901 442 Q HN 0.654 nan 8.270 nan 0.000 0.429 443 R N 0.768 121.285 120.500 0.028 0.000 2.073 443 R HA -0.150 4.190 4.340 0.001 0.000 0.234 443 R C 2.099 178.409 176.300 0.017 0.000 1.134 443 R CA 1.173 57.285 56.100 0.019 0.000 0.952 443 R CB -0.177 30.133 30.300 0.016 0.000 0.850 443 R HN 0.228 nan 8.270 nan 0.000 0.433 444 L N 0.307 121.540 121.223 0.017 0.000 2.056 444 L HA -0.153 4.188 4.340 0.001 0.000 0.207 444 L C 2.479 179.356 176.870 0.012 0.000 1.078 444 L CA 1.094 55.947 54.840 0.021 0.000 0.749 444 L CB -0.310 41.768 42.059 0.032 0.000 0.901 444 L HN 0.245 nan 8.230 nan 0.000 0.433 445 I N -0.183 120.388 120.570 0.002 0.000 2.179 445 I HA -0.240 3.931 4.170 0.001 0.000 0.242 445 I C 2.639 178.763 176.117 0.010 0.000 1.088 445 I CA 1.573 62.876 61.300 0.005 0.000 1.357 445 I CB -0.848 37.157 38.000 0.008 0.000 1.051 445 I HN 0.283 nan 8.210 nan 0.000 0.409 446 G N -0.343 108.464 108.800 0.012 0.000 2.476 446 G HA2 -0.353 3.607 3.960 0.001 0.000 0.218 446 G HA3 -0.353 3.607 3.960 0.001 0.000 0.218 446 G C 1.548 176.452 174.900 0.006 0.000 1.164 446 G CA 0.865 45.971 45.100 0.010 0.000 0.768 446 G HN 0.424 nan 8.290 nan 0.000 0.560 447 Q N -0.447 119.358 119.800 0.008 0.000 2.234 447 Q HA -0.101 4.240 4.340 0.001 0.000 0.206 447 Q C 2.243 178.245 176.000 0.003 0.000 0.980 447 Q CA 1.178 56.985 55.803 0.007 0.000 0.869 447 Q CB -0.041 28.704 28.738 0.011 0.000 0.912 447 Q HN 0.580 nan 8.270 nan 0.000 0.436 448 Q N -2.046 117.756 119.800 0.003 0.000 2.282 448 Q HA 0.156 4.497 4.340 0.001 0.000 0.206 448 Q C 0.377 176.368 176.000 -0.015 0.000 0.878 448 Q CA 0.455 56.257 55.803 -0.003 0.000 0.944 448 Q CB 1.392 30.132 28.738 0.004 0.000 1.100 448 Q HN 0.545 nan 8.270 nan 0.000 0.509 449 G N 0.612 109.406 108.800 -0.011 0.000 2.183 449 G HA2 -0.231 3.729 3.960 0.001 0.000 0.168 449 G HA3 -0.231 3.729 3.960 0.001 0.000 0.168 449 G C 0.400 175.293 174.900 -0.013 0.000 1.008 449 G CA -0.228 44.862 45.100 -0.018 0.000 0.677 449 G HN 0.323 nan 8.290 nan 0.000 0.498 450 L N -0.902 120.321 121.223 0.000 0.000 3.781 450 L HA -0.224 4.117 4.340 0.001 0.000 0.426 450 L C 1.077 177.955 176.870 0.014 0.000 1.197 450 L CA 0.523 55.369 54.840 0.011 0.000 0.907 450 L CB -1.611 40.451 42.059 0.006 0.000 1.812 450 L HN 0.316 nan 8.230 nan 0.000 0.956 451 V N -1.169 118.752 119.914 0.012 0.000 2.843 451 V HA 0.035 4.155 4.120 0.001 0.000 0.305 451 V C 0.926 177.088 176.094 0.113 0.000 1.065 451 V CA -0.329 61.985 62.300 0.024 0.000 1.116 451 V CB 0.793 32.571 31.823 -0.074 0.000 0.968 451 V HN 0.132 nan 8.190 nan 0.000 0.487 452 D N 2.632 123.110 120.400 0.131 0.000 2.425 452 D HA 0.423 5.063 4.640 0.001 0.000 0.247 452 D C 1.095 177.549 176.300 0.256 0.000 1.147 452 D CA 1.760 55.868 54.000 0.179 0.000 0.879 452 D CB 0.822 41.718 40.800 0.160 0.000 1.179 452 D HN 1.013 nan 8.370 nan 0.000 0.456 453 G N 1.864 110.798 108.800 0.224 0.000 2.159 453 G HA2 -0.275 3.686 3.960 0.001 0.000 0.256 453 G HA3 -0.275 3.686 3.960 0.001 0.000 0.256 453 G C 0.214 175.297 174.900 0.305 0.000 0.977 453 G CA -0.038 45.172 45.100 0.183 0.000 0.652 453 G HN 0.493 nan 8.290 nan 0.000 0.531 454 L N 1.580 122.993 121.223 0.318 0.000 2.410 454 L HA 0.710 5.051 4.340 0.001 0.000 0.273 454 L C 0.189 177.219 176.870 0.268 0.000 1.144 454 L CA -0.694 54.313 54.840 0.279 0.000 0.863 454 L CB -0.081 42.071 42.059 0.155 0.000 1.140 454 L HN 0.530 nan 8.230 nan 0.000 0.463 455 F N 5.065 125.061 119.950 0.077 0.000 2.662 455 F HA 0.823 5.351 4.527 0.001 0.000 0.312 455 F C -1.706 174.137 175.800 0.070 0.000 1.113 455 F CA -1.464 56.560 58.000 0.039 0.000 0.951 455 F CB 1.068 40.059 39.000 -0.015 0.000 1.344 455 F HN 0.448 nan 8.300 nan 0.000 0.462 456 L N 0.412 121.675 121.223 0.065 0.000 2.479 456 L HA 0.926 5.266 4.340 0.001 0.000 0.255 456 L C -1.915 175.124 176.870 0.281 0.000 1.026 456 L CA -1.217 53.645 54.840 0.037 0.000 0.842 456 L CB 1.730 43.612 42.059 -0.296 0.000 1.444 456 L HN 0.588 nan 8.230 nan 0.000 0.409 457 V N 1.480 121.649 119.914 0.424 0.000 2.417 457 V HA 0.807 4.928 4.120 0.001 0.000 0.291 457 V C -0.081 176.227 176.094 0.356 0.000 1.024 457 V CA -0.424 62.158 62.300 0.469 0.000 0.861 457 V CB 1.335 33.545 31.823 0.645 0.000 0.985 457 V HN 0.998 nan 8.190 nan 0.000 0.436 458 R N 2.594 123.265 120.500 0.285 0.000 2.930 458 R HA 0.762 5.103 4.340 0.001 0.000 0.257 458 R C -0.924 175.567 176.300 0.318 0.000 1.107 458 R CA -1.035 55.148 56.100 0.138 0.000 0.999 458 R CB 1.989 32.315 30.300 0.044 0.000 1.209 458 R HN 0.546 nan 8.270 nan 0.000 0.486 459 E N 0.801 121.104 120.200 0.172 0.000 2.301 459 E HA 0.108 4.459 4.350 0.001 0.000 0.275 459 E C -0.608 175.985 176.600 -0.012 0.000 1.030 459 E CA -0.481 55.944 56.400 0.042 0.000 0.852 459 E CB 1.562 31.240 29.700 -0.036 0.000 1.060 459 E HN 0.437 nan 8.360 nan 0.000 0.401 460 S N 1.728 117.391 115.700 -0.061 0.000 2.549 460 S HA -0.081 4.390 4.470 0.001 0.000 0.286 460 S C 0.918 175.485 174.600 -0.055 0.000 1.314 460 S CA 0.129 58.302 58.200 -0.045 0.000 1.062 460 S CB 0.619 63.789 63.200 -0.049 0.000 0.865 460 S HN 0.520 nan 8.310 nan 0.000 0.498 461 Q N 2.858 122.631 119.800 -0.044 0.000 2.311 461 Q HA 0.024 4.365 4.340 0.001 0.000 0.203 461 Q C 2.036 178.013 176.000 -0.038 0.000 0.954 461 Q CA 0.910 56.688 55.803 -0.041 0.000 0.885 461 Q CB 0.153 28.868 28.738 -0.039 0.000 0.963 461 Q HN 0.647 nan 8.270 nan 0.000 0.471 462 R N -0.217 120.260 120.500 -0.038 0.000 2.123 462 R HA 0.065 4.405 4.340 0.001 0.000 0.209 462 R C 0.611 176.893 176.300 -0.030 0.000 1.078 462 R CA 0.123 56.205 56.100 -0.031 0.000 1.028 462 R CB 0.301 30.584 30.300 -0.029 0.000 0.939 462 R HN -0.012 nan 8.270 nan 0.000 0.463 463 N N 1.480 120.159 118.700 -0.035 0.000 2.439 463 N HA 0.108 4.849 4.740 0.001 0.000 0.249 463 N C -2.188 173.284 175.510 -0.063 0.000 1.003 463 N CA -2.101 50.927 53.050 -0.036 0.000 0.942 463 N CB 1.636 40.109 38.487 -0.022 0.000 1.115 463 N HN -0.175 nan 8.380 nan 0.000 0.505 464 P HA -0.152 nan 4.420 nan 0.000 0.220 464 P C 0.386 177.632 177.300 -0.089 0.000 1.144 464 P CA 1.382 64.447 63.100 -0.059 0.000 0.800 464 P CB 0.240 31.922 31.700 -0.031 0.000 0.772 465 Q N -2.110 117.641 119.800 -0.082 0.000 2.189 465 Q HA 0.290 4.631 4.340 0.001 0.000 0.223 465 Q C 0.755 176.676 176.000 -0.133 0.000 0.828 465 Q CA -0.244 55.512 55.803 -0.078 0.000 0.967 465 Q CB 0.263 29.009 28.738 0.013 0.000 1.139 465 Q HN -0.044 nan 8.270 nan 0.000 0.497 466 G N 0.501 109.197 108.800 -0.173 0.000 2.451 466 G HA2 0.554 4.515 3.960 0.001 0.000 0.303 466 G HA3 0.554 4.515 3.960 0.001 0.000 0.303 466 G C -1.217 173.467 174.900 -0.360 0.000 1.166 466 G CA -0.488 44.547 45.100 -0.107 0.000 0.884 466 G HN 0.157 nan 8.290 nan 0.000 0.514 467 F N -1.028 119.021 119.950 0.166 0.000 2.598 467 F HA 0.663 5.191 4.527 0.001 0.000 0.327 467 F C -0.043 175.854 175.800 0.163 0.000 1.057 467 F CA -0.870 57.236 58.000 0.177 0.000 0.957 467 F CB 2.711 41.826 39.000 0.192 0.000 1.278 467 F HN 0.272 nan 8.300 nan 0.000 0.484 468 V N 2.367 122.506 119.914 0.375 0.000 2.623 468 V HA 0.350 4.471 4.120 0.001 0.000 0.304 468 V C -1.181 175.089 176.094 0.293 0.000 1.054 468 V CA -0.735 61.734 62.300 0.281 0.000 0.882 468 V CB 1.977 33.926 31.823 0.210 0.000 1.002 468 V HN 0.575 nan 8.190 nan 0.000 0.424 469 L N 4.330 125.717 121.223 0.274 0.000 2.281 469 L HA 0.638 4.979 4.340 0.001 0.000 0.285 469 L C 0.181 177.226 176.870 0.291 0.000 1.074 469 L CA 0.913 55.899 54.840 0.243 0.000 0.817 469 L CB 1.303 43.428 42.059 0.111 0.000 1.168 469 L HN 0.670 nan 8.230 nan 0.000 0.434 470 S N 6.354 122.192 115.700 0.229 0.000 2.433 470 S HA 0.750 5.221 4.470 0.001 0.000 0.310 470 S C -0.951 173.718 174.600 0.115 0.000 1.097 470 S CA -0.452 57.818 58.200 0.116 0.000 1.103 470 S CB 1.185 64.464 63.200 0.131 0.000 0.992 470 S HN 0.618 nan 8.310 nan 0.000 0.469 471 L N 3.516 124.787 121.223 0.081 0.000 2.464 471 L HA 0.630 4.970 4.340 0.001 0.000 0.266 471 L C -1.024 175.910 176.870 0.107 0.000 0.965 471 L CA -0.478 54.448 54.840 0.144 0.000 0.833 471 L CB 1.463 43.611 42.059 0.148 0.000 1.296 471 L HN 0.752 nan 8.230 nan 0.000 0.405 472 C N 5.242 124.615 119.300 0.122 0.000 2.285 472 C HA 0.583 5.044 4.460 0.001 0.000 0.335 472 C C -0.653 174.447 174.990 0.183 0.000 1.267 472 C CA -0.187 58.897 59.018 0.110 0.000 1.762 472 C CB -0.830 26.962 27.740 0.086 0.000 2.365 472 C HN 0.918 nan 8.230 nan 0.000 0.527 473 H N 6.113 125.212 119.070 0.048 0.000 2.782 473 H HA 0.318 4.875 4.556 0.001 0.000 0.347 473 H C -0.090 175.260 175.328 0.036 0.000 1.038 473 H CA -0.482 55.594 56.048 0.046 0.000 1.255 473 H CB 1.008 30.799 29.762 0.049 0.000 1.623 473 H HN 0.948 nan 8.280 nan 0.000 0.525 474 L N 5.034 126.040 121.223 -0.361 0.000 3.548 474 L HA -0.286 4.055 4.340 0.001 0.000 0.443 474 L C 0.216 177.015 176.870 -0.119 0.000 1.286 474 L CA 0.513 55.167 54.840 -0.310 0.000 0.863 474 L CB -1.300 40.503 42.059 -0.426 0.000 1.734 474 L HN 0.838 nan 8.230 nan 0.000 0.873 475 Q N -2.036 117.727 119.800 -0.063 0.000 2.468 475 Q HA -0.199 4.142 4.340 0.001 0.000 0.256 475 Q C -0.145 175.850 176.000 -0.008 0.000 0.984 475 Q CA 1.938 57.727 55.803 -0.024 0.000 1.110 475 Q CB -0.659 28.064 28.738 -0.026 0.000 1.527 475 Q HN 0.687 nan 8.270 nan 0.000 0.535 476 K N -0.624 119.777 120.400 0.002 0.000 2.397 476 K HA 0.609 4.930 4.320 0.001 0.000 0.253 476 K C -0.749 175.861 176.600 0.017 0.000 0.932 476 K CA -0.844 55.452 56.287 0.014 0.000 0.795 476 K CB 2.355 34.867 32.500 0.020 0.000 1.159 476 K HN -0.128 nan 8.250 nan 0.000 0.424 477 V N 3.815 123.724 119.914 -0.009 0.000 2.488 477 V HA 0.194 4.314 4.120 0.001 0.000 0.277 477 V C -0.060 175.918 176.094 -0.194 0.000 1.046 477 V CA -0.176 62.072 62.300 -0.087 0.000 0.986 477 V CB 0.683 32.445 31.823 -0.101 0.000 0.989 477 V HN 0.643 nan 8.190 nan 0.000 0.475 478 K N 3.903 124.162 120.400 -0.235 0.000 2.267 478 K HA 0.621 4.942 4.320 0.001 0.000 0.246 478 K C -1.095 175.159 176.600 -0.576 0.000 0.954 478 K CA -0.920 55.159 56.287 -0.346 0.000 0.824 478 K CB 2.037 34.434 32.500 -0.172 0.000 1.167 478 K HN 0.691 nan 8.250 nan 0.000 0.431 479 H N 1.576 120.429 119.070 -0.362 0.000 2.547 479 H HA 0.267 4.824 4.556 0.001 0.000 0.342 479 H C -1.174 173.853 175.328 -0.502 0.000 1.048 479 H CA -0.568 55.340 56.048 -0.234 0.000 1.204 479 H CB 1.017 30.719 29.762 -0.100 0.000 1.493 479 H HN 0.476 nan 8.280 nan 0.000 0.511 480 Y N 2.478 122.849 120.300 0.119 0.000 2.326 480 Y HA 0.237 4.788 4.550 0.001 0.000 0.331 480 Y C 0.434 176.397 175.900 0.105 0.000 0.962 480 Y CA -0.874 57.274 58.100 0.080 0.000 1.167 480 Y CB 1.243 39.713 38.460 0.017 0.000 1.148 480 Y HN 0.358 nan 8.280 nan 0.000 0.463 481 L N 4.971 126.317 121.223 0.205 0.000 2.455 481 L HA 0.289 4.630 4.340 0.001 0.000 0.272 481 L C -0.301 176.706 176.870 0.227 0.000 1.174 481 L CA 0.095 55.049 54.840 0.190 0.000 0.869 481 L CB 0.255 42.394 42.059 0.134 0.000 1.130 481 L HN 0.559 nan 8.230 nan 0.000 0.474 482 I N 4.646 125.380 120.570 0.275 0.000 2.355 482 I HA 0.374 4.545 4.170 0.001 0.000 0.288 482 I C -0.280 176.077 176.117 0.400 0.000 0.999 482 I CA -0.162 61.331 61.300 0.322 0.000 1.163 482 I CB 1.484 39.673 38.000 0.315 0.000 1.316 482 I HN 0.422 nan 8.210 nan 0.000 0.454 483 L N 8.169 129.597 121.223 0.342 0.000 2.329 483 L HA 0.567 4.908 4.340 0.001 0.000 0.279 483 L C -2.269 174.744 176.870 0.237 0.000 1.014 483 L CA -1.965 53.044 54.840 0.282 0.000 0.814 483 L CB 2.026 44.175 42.059 0.149 0.000 1.257 483 L HN 0.299 nan 8.230 nan 0.000 0.424 484 P HA 0.124 nan 4.420 nan 0.000 0.276 484 P C -0.979 176.110 177.300 -0.353 0.000 1.230 484 P CA -0.196 62.738 63.100 -0.277 0.000 0.776 484 P CB 1.318 32.975 31.700 -0.072 0.000 0.888 485 S N 1.627 116.921 115.700 -0.677 0.000 2.538 485 S HA 0.326 4.796 4.470 0.001 0.000 0.288 485 S C -0.711 173.456 174.600 -0.721 0.000 1.108 485 S CA -0.570 57.212 58.200 -0.696 0.000 0.971 485 S CB 1.635 64.257 63.200 -0.963 0.000 1.041 485 S HN 0.464 nan 8.310 nan 0.000 0.483 486 E N 1.973 121.937 120.200 -0.393 0.000 2.141 486 E HA 0.219 4.570 4.350 0.001 0.000 0.259 486 E C -1.053 175.462 176.600 -0.142 0.000 0.883 486 E CA -0.231 56.019 56.400 -0.251 0.000 0.744 486 E CB 0.744 30.349 29.700 -0.159 0.000 1.150 486 E HN 0.604 nan 8.360 nan 0.000 0.420 487 E N 4.628 124.787 120.200 -0.069 0.000 2.114 487 E HA 0.104 4.455 4.350 0.001 0.000 0.266 487 E C -0.850 175.759 176.600 0.016 0.000 0.896 487 E CA -0.281 56.127 56.400 0.013 0.000 0.750 487 E CB 0.617 30.381 29.700 0.107 0.000 1.121 487 E HN 0.604 nan 8.360 nan 0.000 0.413 488 E N 2.836 123.036 120.200 0.000 0.000 2.271 488 E HA -0.254 4.097 4.350 0.001 0.000 0.223 488 E C 0.414 177.014 176.600 -0.001 0.000 1.223 488 E CA 0.497 56.897 56.400 0.000 0.000 0.704 488 E CB -1.459 28.244 29.700 0.006 0.000 1.194 488 E HN 1.073 nan 8.360 nan 0.000 0.375 489 G N 0.300 109.094 108.800 -0.010 0.000 2.160 489 G HA2 -0.347 3.614 3.960 0.001 0.000 0.251 489 G HA3 -0.347 3.614 3.960 0.001 0.000 0.251 489 G C -0.082 174.814 174.900 -0.007 0.000 1.008 489 G CA 0.527 45.621 45.100 -0.010 0.000 0.724 489 G HN 0.192 nan 8.290 nan 0.000 0.514 490 R N -0.813 119.684 120.500 -0.006 0.000 2.513 490 R HA 0.596 4.936 4.340 0.001 0.000 0.301 490 R C -0.722 175.568 176.300 -0.017 0.000 0.968 490 R CA -1.045 55.061 56.100 0.010 0.000 0.872 490 R CB 1.801 32.126 30.300 0.042 0.000 1.177 490 R HN 0.272 nan 8.270 nan 0.000 0.444 491 L N 4.586 125.787 121.223 -0.036 0.000 2.289 491 L HA 0.458 4.799 4.340 0.001 0.000 0.285 491 L C -1.057 175.751 176.870 -0.103 0.000 1.049 491 L CA -0.410 54.338 54.840 -0.154 0.000 0.804 491 L CB 0.551 42.523 42.059 -0.145 0.000 1.195 491 L HN 0.571 nan 8.230 nan 0.000 0.428 492 Y N 2.535 122.655 120.300 -0.301 0.000 2.638 492 Y HA 0.792 5.343 4.550 0.001 0.000 0.339 492 Y C -1.724 173.841 175.900 -0.557 0.000 1.084 492 Y CA -1.865 56.070 58.100 -0.275 0.000 1.068 492 Y CB 0.962 39.350 38.460 -0.120 0.000 1.294 492 Y HN 0.376 nan 8.280 nan 0.000 0.480 493 F N 1.013 121.164 119.950 0.337 0.000 2.508 493 F HA 0.739 5.267 4.527 0.001 0.000 0.325 493 F C 0.146 176.184 175.800 0.396 0.000 1.090 493 F CA -0.645 57.519 58.000 0.273 0.000 0.945 493 F CB 2.332 41.441 39.000 0.181 0.000 1.156 493 F HN 0.670 nan 8.300 nan 0.000 0.463 494 S N 2.306 118.290 115.700 0.473 0.000 2.547 494 S HA 0.508 4.978 4.470 0.001 0.000 0.270 494 S C -0.293 174.485 174.600 0.296 0.000 1.150 494 S CA -0.647 57.789 58.200 0.393 0.000 0.850 494 S CB 1.341 64.754 63.200 0.356 0.000 1.118 494 S HN 0.715 nan 8.310 nan 0.000 0.461 495 M N 2.131 121.881 119.600 0.250 0.000 2.383 495 M HA 0.231 4.712 4.480 0.001 0.000 0.247 495 M C -0.452 175.947 176.300 0.165 0.000 1.117 495 M CA 0.235 55.651 55.300 0.192 0.000 0.995 495 M CB -0.094 32.585 32.600 0.133 0.000 1.480 495 M HN 0.657 nan 8.290 nan 0.000 0.485 496 D N -2.031 118.461 120.400 0.153 0.000 2.914 496 D HA 0.098 4.739 4.640 0.001 0.000 0.349 496 D C -0.577 175.783 176.300 0.100 0.000 1.540 496 D CA -0.297 53.772 54.000 0.115 0.000 0.778 496 D CB -0.242 40.616 40.800 0.097 0.000 1.213 496 D HN -0.088 nan 8.370 nan 0.000 0.451 497 D N 0.483 120.957 120.400 0.123 0.000 2.837 497 D HA -0.117 4.524 4.640 0.001 0.000 0.230 497 D C 1.284 177.663 176.300 0.131 0.000 1.152 497 D CA 1.762 55.833 54.000 0.117 0.000 0.736 497 D CB -1.409 39.438 40.800 0.079 0.000 1.084 497 D HN 0.829 nan 8.370 nan 0.000 0.429 498 G N -0.669 108.223 108.800 0.153 0.000 2.141 498 G HA2 -0.359 3.602 3.960 0.001 0.000 0.231 498 G HA3 -0.359 3.602 3.960 0.001 0.000 0.231 498 G C 0.952 175.790 174.900 -0.102 0.000 0.984 498 G CA 0.520 45.655 45.100 0.058 0.000 0.660 498 G HN 0.366 nan 8.290 nan 0.000 0.525 499 Q N -0.120 119.649 119.800 -0.053 0.000 2.123 499 Q HA 0.021 4.362 4.340 0.001 0.000 0.199 499 Q C 0.706 176.609 176.000 -0.162 0.000 0.966 499 Q CA 1.765 57.518 55.803 -0.083 0.000 0.845 499 Q CB 0.108 28.830 28.738 -0.026 0.000 0.907 499 Q HN 0.605 nan 8.270 nan 0.000 0.439 500 T N 1.774 116.223 114.554 -0.175 0.000 2.847 500 T HA 0.520 4.871 4.350 0.001 0.000 0.291 500 T C -0.458 173.949 174.700 -0.488 0.000 0.998 500 T CA -0.605 61.287 62.100 -0.347 0.000 0.967 500 T CB 1.526 70.281 68.868 -0.188 0.000 0.954 500 T HN 0.008 nan 8.240 nan 0.000 0.441 501 R N 1.990 122.017 120.500 -0.789 0.000 2.664 501 R HA 0.778 5.118 4.340 0.001 0.000 0.286 501 R C -1.290 174.454 176.300 -0.926 0.000 0.967 501 R CA -0.787 54.884 56.100 -0.715 0.000 0.933 501 R CB 1.519 31.279 30.300 -0.899 0.000 1.146 501 R HN 0.426 nan 8.270 nan 0.000 0.468 502 F N -0.717 119.261 119.950 0.046 0.000 2.578 502 F HA 0.212 4.739 4.527 0.001 0.000 0.311 502 F C 1.457 177.389 175.800 0.221 0.000 1.094 502 F CA -0.866 57.188 58.000 0.090 0.000 0.923 502 F CB 2.203 41.258 39.000 0.092 0.000 1.230 502 F HN 0.624 nan 8.300 nan 0.000 0.450 503 T N -2.555 112.207 114.554 0.348 0.000 2.857 503 T HA 0.058 4.409 4.350 0.001 0.000 0.266 503 T C 0.088 175.037 174.700 0.415 0.000 1.048 503 T CA 1.582 63.867 62.100 0.307 0.000 1.139 503 T CB -0.352 68.625 68.868 0.182 0.000 0.874 503 T HN 0.620 nan 8.240 nan 0.000 0.455 504 D N -0.719 119.842 120.400 0.268 0.000 2.812 504 D HA 0.349 4.989 4.640 0.001 0.000 0.318 504 D C 0.991 177.195 176.300 -0.159 0.000 1.234 504 D CA -0.952 53.037 54.000 -0.018 0.000 0.989 504 D CB 0.313 41.078 40.800 -0.058 0.000 1.442 504 D HN 0.070 nan 8.370 nan 0.000 0.537 505 L N -0.569 120.441 121.223 -0.355 0.000 2.093 505 L HA -0.013 4.328 4.340 0.001 0.000 0.208 505 L C 2.276 179.062 176.870 -0.139 0.000 1.085 505 L CA 0.620 55.294 54.840 -0.277 0.000 0.755 505 L CB -0.471 41.426 42.059 -0.271 0.000 0.904 505 L HN 0.316 nan 8.230 nan 0.000 0.435 506 L N 0.038 121.298 121.223 0.062 0.000 2.042 506 L HA -0.253 4.088 4.340 0.001 0.000 0.210 506 L C 2.597 179.434 176.870 -0.055 0.000 1.076 506 L CA 1.771 56.684 54.840 0.122 0.000 0.749 506 L CB -0.686 41.497 42.059 0.207 0.000 0.893 506 L HN 0.273 nan 8.230 nan 0.000 0.432 507 Q N -0.786 118.995 119.800 -0.031 0.000 2.096 507 Q HA -0.254 4.087 4.340 0.001 0.000 0.204 507 Q C 2.387 178.207 176.000 -0.300 0.000 0.982 507 Q CA 2.214 58.014 55.803 -0.004 0.000 0.850 507 Q CB -0.258 28.599 28.738 0.199 0.000 0.901 507 Q HN 0.654 nan 8.270 nan 0.000 0.422 508 L N -0.232 120.600 121.223 -0.653 0.000 2.017 508 L HA -0.182 4.158 4.340 0.001 0.000 0.208 508 L C 2.230 178.777 176.870 -0.539 0.000 1.073 508 L CA 1.049 55.180 54.840 -1.182 0.000 0.745 508 L CB -0.239 41.348 42.059 -0.786 0.000 0.894 508 L HN 0.081 nan 8.230 nan 0.000 0.432 509 V N 0.210 119.815 119.914 -0.516 0.000 2.295 509 V HA -0.287 3.834 4.120 0.001 0.000 0.246 509 V C 2.443 178.311 176.094 -0.377 0.000 1.049 509 V CA 2.208 64.154 62.300 -0.590 0.000 1.024 509 V CB -0.577 30.638 31.823 -1.014 0.000 0.648 509 V HN 0.509 nan 8.190 nan 0.000 0.447 510 E N -0.746 119.312 120.200 -0.237 0.000 2.110 510 E HA -0.243 4.108 4.350 0.001 0.000 0.193 510 E C 2.049 178.589 176.600 -0.100 0.000 0.988 510 E CA 1.484 57.812 56.400 -0.121 0.000 0.804 510 E CB -0.231 29.454 29.700 -0.026 0.000 0.745 510 E HN 0.652 nan 8.360 nan 0.000 0.458 511 F N 1.066 120.874 119.950 -0.236 0.000 2.186 511 F HA -0.159 4.368 4.527 0.001 0.000 0.299 511 F C 1.833 177.414 175.800 -0.364 0.000 1.090 511 F CA 1.654 59.508 58.000 -0.243 0.000 1.307 511 F CB -0.027 38.871 39.000 -0.170 0.000 1.019 511 F HN 0.010 nan 8.300 nan 0.000 0.489 512 H N -0.874 118.055 119.070 -0.235 0.000 2.548 512 H HA 0.071 4.627 4.556 0.001 0.000 0.268 512 H C 1.900 176.992 175.328 -0.393 0.000 0.975 512 H CA 0.666 56.516 56.048 -0.330 0.000 1.195 512 H CB -0.131 29.442 29.762 -0.314 0.000 1.397 512 H HN 0.382 nan 8.280 nan 0.000 0.572 513 Q N -0.401 119.220 119.800 -0.298 0.000 2.291 513 Q HA -0.071 4.270 4.340 0.001 0.000 0.205 513 Q C 0.893 176.747 176.000 -0.243 0.000 0.970 513 Q CA 0.827 56.469 55.803 -0.268 0.000 0.876 513 Q CB 0.291 28.907 28.738 -0.204 0.000 0.935 513 Q HN 0.319 nan 8.270 nan 0.000 0.455 514 L N -0.767 120.269 121.223 -0.312 0.000 2.717 514 L HA 0.206 4.547 4.340 0.001 0.000 0.239 514 L C -0.482 176.162 176.870 -0.377 0.000 1.086 514 L CA 0.560 55.215 54.840 -0.307 0.000 0.897 514 L CB 0.752 42.635 42.059 -0.294 0.000 1.214 514 L HN -0.009 nan 8.230 nan 0.000 0.508 515 N N -0.678 117.695 118.700 -0.545 0.000 2.352 515 N HA 0.285 5.025 4.740 0.001 0.000 0.291 515 N C 0.318 175.606 175.510 -0.371 0.000 1.040 515 N CA -0.381 52.330 53.050 -0.564 0.000 0.864 515 N CB 1.907 39.728 38.487 -1.109 0.000 1.440 515 N HN -0.089 nan 8.380 nan 0.000 0.483 516 R N 1.316 121.704 120.500 -0.186 0.000 2.092 516 R HA 0.001 4.342 4.340 0.001 0.000 0.231 516 R C 1.527 177.873 176.300 0.078 0.000 1.119 516 R CA 1.145 57.204 56.100 -0.068 0.000 0.970 516 R CB -0.266 29.981 30.300 -0.088 0.000 0.864 516 R HN 0.861 nan 8.270 nan 0.000 0.440 517 G N 1.709 110.554 108.800 0.075 0.000 2.611 517 G HA2 -0.390 3.571 3.960 0.001 0.000 0.301 517 G HA3 -0.390 3.571 3.960 0.001 0.000 0.301 517 G C 0.832 175.803 174.900 0.119 0.000 1.233 517 G CA 0.517 45.735 45.100 0.197 0.000 0.993 517 G HN 0.485 nan 8.290 nan 0.000 0.553 518 I N -0.039 120.611 120.570 0.133 0.000 3.176 518 I HA 0.386 4.557 4.170 0.001 0.000 0.275 518 I C 1.012 177.112 176.117 -0.028 0.000 1.298 518 I CA 0.216 61.549 61.300 0.055 0.000 1.445 518 I CB -0.341 37.703 38.000 0.074 0.000 1.075 518 I HN 0.273 nan 8.210 nan 0.000 0.482 519 L N 2.168 123.331 121.223 -0.101 0.000 2.399 519 L HA 0.330 4.671 4.340 0.001 0.000 0.266 519 L C -1.185 175.575 176.870 -0.182 0.000 1.114 519 L CA -1.674 53.015 54.840 -0.252 0.000 0.804 519 L CB 0.321 42.165 42.059 -0.358 0.000 1.146 519 L HN -0.086 nan 8.230 nan 0.000 0.451 520 P HA -0.002 nan 4.420 nan 0.000 0.241 520 P C -0.172 176.829 177.300 -0.499 0.000 1.191 520 P CA 0.321 63.241 63.100 -0.300 0.000 0.771 520 P CB 0.037 31.563 31.700 -0.290 0.000 0.929 521 C N -3.384 115.690 119.300 -0.377 0.000 3.295 521 C HA 0.553 5.014 4.460 0.001 0.000 0.341 521 C C -0.391 174.482 174.990 -0.195 0.000 1.418 521 C CA -1.566 57.285 59.018 -0.278 0.000 1.240 521 C CB 0.443 28.028 27.740 -0.258 0.000 1.562 521 C HN -0.044 nan 8.230 nan 0.000 0.457 522 L N 1.296 122.426 121.223 -0.155 0.000 2.464 522 L HA 0.366 4.707 4.340 0.001 0.000 0.264 522 L C 0.028 176.776 176.870 -0.204 0.000 1.199 522 L CA -0.378 54.354 54.840 -0.179 0.000 0.818 522 L CB 0.365 42.326 42.059 -0.164 0.000 1.102 522 L HN 0.583 nan 8.230 nan 0.000 0.473 523 L N 3.142 124.180 121.223 -0.308 0.000 2.363 523 L HA 0.221 4.562 4.340 0.001 0.000 0.286 523 L C 1.010 177.720 176.870 -0.266 0.000 1.106 523 L CA 0.083 54.649 54.840 -0.456 0.000 0.859 523 L CB 0.344 41.787 42.059 -1.027 0.000 1.223 523 L HN 0.684 nan 8.230 nan 0.000 0.446 524 R N 0.871 121.296 120.500 -0.126 0.000 2.221 524 R HA 0.197 4.538 4.340 0.001 0.000 0.195 524 R C -0.101 175.975 176.300 -0.373 0.000 0.956 524 R CA 0.140 56.033 56.100 -0.345 0.000 1.064 524 R CB 0.615 30.557 30.300 -0.597 0.000 1.049 524 R HN 0.543 nan 8.270 nan 0.000 0.534 525 H N -0.634 118.621 119.070 0.310 0.000 2.840 525 H HA 0.131 4.688 4.556 0.001 0.000 0.340 525 H C -0.953 174.424 175.328 0.083 0.000 1.004 525 H CA -1.267 54.898 56.048 0.194 0.000 1.288 525 H CB 1.534 31.363 29.762 0.112 0.000 1.607 525 H HN 0.057 nan 8.280 nan 0.000 0.522 526 C N 3.574 122.919 119.300 0.075 0.000 2.632 526 C HA 0.159 4.619 4.460 0.001 0.000 0.415 526 C C 1.221 176.137 174.990 -0.123 0.000 1.332 526 C CA -0.334 58.532 59.018 -0.253 0.000 1.874 526 C CB -1.111 26.634 27.740 0.007 0.000 2.596 526 C HN 0.898 nan 8.230 nan 0.000 0.590 527 C N 8.658 127.840 119.300 -0.196 0.000 2.192 527 C HA 0.517 4.978 4.460 0.001 0.000 0.337 527 C C 1.073 176.140 174.990 0.127 0.000 1.103 527 C CA -0.207 58.795 59.018 -0.026 0.000 1.581 527 C CB -1.527 26.171 27.740 -0.071 0.000 2.070 527 C HN 1.021 nan 8.230 nan 0.000 0.485 528 T N 2.610 117.213 114.554 0.083 0.000 2.884 528 T HA 0.163 4.513 4.350 0.001 0.000 0.298 528 T C 1.164 175.846 174.700 -0.030 0.000 0.998 528 T CA -0.486 61.637 62.100 0.038 0.000 1.124 528 T CB 0.729 69.594 68.868 -0.006 0.000 0.931 528 T HN 0.839 nan 8.240 nan 0.000 0.531 529 R N 1.844 122.156 120.500 -0.312 0.000 2.280 529 R HA 0.101 4.442 4.340 0.001 0.000 0.207 529 R C 0.378 176.513 176.300 -0.276 0.000 1.043 529 R CA 0.575 56.290 56.100 -0.642 0.000 1.006 529 R CB -0.275 29.538 30.300 -0.811 0.000 0.885 529 R HN 0.711 nan 8.270 nan 0.000 0.467 530 V N -2.878 116.940 119.914 -0.160 0.000 2.962 530 V HA 0.781 4.902 4.120 0.001 0.000 0.313 530 V C -0.299 175.761 176.094 -0.056 0.000 1.099 530 V CA -1.138 61.103 62.300 -0.098 0.000 0.971 530 V CB 1.570 33.341 31.823 -0.087 0.000 1.028 530 V HN 0.095 nan 8.190 nan 0.000 0.430 531 A N 3.360 126.156 122.820 -0.040 0.000 2.407 531 A HA 0.778 5.099 4.320 0.001 0.000 0.248 531 A C -0.254 177.318 177.584 -0.021 0.000 1.082 531 A CA -0.268 51.755 52.037 -0.023 0.000 0.785 531 A CB 0.032 19.021 19.000 -0.018 0.000 1.020 531 A HN 0.954 nan 8.150 nan 0.000 0.489 532 L N 0.000 121.216 121.223 -0.012 0.000 2.949 532 L HA 0.000 4.341 4.340 0.001 0.000 0.249 532 L CA 0.000 54.836 54.840 -0.007 0.000 0.813 532 L CB 0.000 42.058 42.059 -0.001 0.000 0.961 532 L HN 0.000 nan 8.230 nan 0.000 0.502