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 2nq8_1_D DATA FIRST_RESID 366 DATA SEQUENCE YTFIDYAIEY SEKYAPLRQK LLSTDIGSVA SFLLSRESRA ITGQTIYVDN DATA SEQUENCE GLNIMFLPDD 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 366 Y HA 0.000 nan 4.550 nan 0.000 0.201 366 Y C 0.000 175.935 175.900 0.059 0.000 1.272 366 Y CA 0.000 58.121 58.100 0.035 0.000 1.940 366 Y CB 0.000 38.482 38.460 0.037 0.000 1.050 367 T N 1.423 116.127 114.554 0.250 0.000 0.541 367 T HA -0.321 4.029 4.350 -0.000 0.000 0.774 367 T C 0.333 175.081 174.700 0.080 0.000 0.992 367 T CA 1.208 63.399 62.100 0.151 0.000 4.077 367 T CB -0.435 68.498 68.868 0.109 0.000 2.303 367 T HN 0.679 nan 8.240 nan 0.000 0.398 368 F N 2.473 122.433 119.950 0.018 0.000 2.115 368 F HA -0.167 4.360 4.527 -0.000 0.000 0.300 368 F C 2.043 177.846 175.800 0.004 0.000 1.092 368 F CA 2.301 60.327 58.000 0.043 0.000 1.245 368 F CB -0.283 38.747 39.000 0.050 0.000 0.995 368 F HN 0.653 nan 8.300 nan 0.000 0.481 369 I N 0.858 121.407 120.570 -0.035 0.000 2.315 369 I HA -0.261 3.909 4.170 -0.000 0.000 0.248 369 I C 1.925 177.897 176.117 -0.242 0.000 1.117 369 I CA 1.742 62.944 61.300 -0.164 0.000 1.404 369 I CB -0.773 37.244 38.000 0.029 0.000 1.071 369 I HN 0.127 nan 8.210 nan 0.000 0.419 370 D N -0.736 119.506 120.400 -0.262 0.000 2.178 370 D HA -0.235 4.405 4.640 -0.000 0.000 0.202 370 D C 1.941 178.001 176.300 -0.401 0.000 0.974 370 D CA 1.201 55.022 54.000 -0.298 0.000 0.841 370 D CB -0.422 40.200 40.800 -0.296 0.000 0.953 370 D HN 0.439 nan 8.370 nan 0.000 0.478 371 Y N 1.991 121.809 120.300 -0.804 0.000 2.145 371 Y HA -0.119 4.431 4.550 -0.000 0.000 0.286 371 Y C 2.263 177.988 175.900 -0.293 0.000 1.145 371 Y CA 1.407 59.157 58.100 -0.583 0.000 1.148 371 Y CB -0.617 37.547 38.460 -0.494 0.000 0.981 371 Y HN -0.063 nan 8.280 nan 0.000 0.507 372 A N 0.440 122.956 122.820 -0.508 0.000 1.933 372 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 372 A C 2.361 179.797 177.584 -0.247 0.000 1.175 372 A CA 1.973 53.701 52.037 -0.515 0.000 0.628 372 A CB -1.122 17.515 19.000 -0.605 0.000 0.814 372 A HN 0.573 nan 8.150 nan 0.000 0.444 373 I N -0.637 119.822 120.570 -0.186 0.000 2.202 373 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 373 I C 2.573 178.655 176.117 -0.058 0.000 1.091 373 I CA 1.708 62.952 61.300 -0.095 0.000 1.368 373 I CB -0.370 37.584 38.000 -0.077 0.000 1.058 373 I HN 0.604 nan 8.210 nan 0.000 0.410 374 E N 0.905 121.074 120.200 -0.051 0.000 2.051 374 E HA -0.319 4.030 4.350 -0.000 0.000 0.192 374 E C 2.351 178.947 176.600 -0.007 0.000 0.991 374 E CA 1.584 57.980 56.400 -0.006 0.000 0.799 374 E CB -0.377 29.365 29.700 0.070 0.000 0.748 374 E HN 0.484 nan 8.360 nan 0.000 0.449 375 Y N 1.022 121.246 120.300 -0.126 0.000 2.181 375 Y HA -0.196 4.354 4.550 -0.000 0.000 0.288 375 Y C 2.682 178.584 175.900 0.003 0.000 1.146 375 Y CA 1.875 59.947 58.100 -0.048 0.000 1.164 375 Y CB -0.573 37.740 38.460 -0.244 0.000 0.982 375 Y HN 0.131 nan 8.280 nan 0.000 0.515 376 S N -0.098 115.699 115.700 0.162 0.000 2.356 376 S HA -0.214 4.256 4.470 -0.000 0.000 0.223 376 S C 1.823 176.421 174.600 -0.002 0.000 1.032 376 S CA 1.715 59.981 58.200 0.110 0.000 1.005 376 S CB -0.390 62.841 63.200 0.053 0.000 0.867 376 S HN 0.667 nan 8.310 nan 0.000 0.449 377 E N 0.168 120.341 120.200 -0.045 0.000 2.333 377 E HA -0.071 4.279 4.350 -0.000 0.000 0.198 377 E C 1.906 178.413 176.600 -0.155 0.000 1.007 377 E CA 0.736 57.089 56.400 -0.078 0.000 0.845 377 E CB 0.051 29.712 29.700 -0.064 0.000 0.766 377 E HN 0.502 nan 8.360 nan 0.000 0.507 378 K N -0.738 119.500 120.400 -0.270 0.000 2.348 378 K HA 0.049 4.369 4.320 -0.000 0.000 0.194 378 K C 0.667 176.841 176.600 -0.710 0.000 1.052 378 K CA 0.400 56.380 56.287 -0.512 0.000 1.004 378 K CB 0.520 32.599 32.500 -0.703 0.000 0.873 378 K HN 0.104 nan 8.250 nan 0.000 0.523 379 Y N -0.041 120.092 120.300 -0.279 0.000 2.453 379 Y HA 0.353 4.903 4.550 -0.000 0.000 0.247 379 Y C 0.555 176.391 175.900 -0.106 0.000 1.124 379 Y CA -0.885 57.062 58.100 -0.254 0.000 1.243 379 Y CB 0.572 38.736 38.460 -0.493 0.000 1.213 379 Y HN -0.128 nan 8.280 nan 0.000 0.523 380 A N 1.031 123.876 122.820 0.042 0.000 2.386 380 A HA 0.279 4.599 4.320 -0.000 0.000 0.248 380 A C -1.443 176.152 177.584 0.019 0.000 1.082 380 A CA -1.022 51.043 52.037 0.047 0.000 0.789 380 A CB 0.106 19.127 19.000 0.035 0.000 1.025 380 A HN 0.092 nan 8.150 nan 0.000 0.490 381 P HA -0.085 nan 4.420 nan 0.000 0.215 381 P C -0.035 177.263 177.300 -0.003 0.000 1.157 381 P CA 0.958 64.064 63.100 0.009 0.000 0.874 381 P CB 0.061 31.766 31.700 0.009 0.000 0.790 382 L N -0.737 120.485 121.223 -0.002 0.000 2.289 382 L HA 0.223 4.563 4.340 -0.000 0.000 0.285 382 L C 1.439 178.299 176.870 -0.018 0.000 1.049 382 L CA -0.063 54.772 54.840 -0.009 0.000 0.804 382 L CB 1.195 43.251 42.059 -0.004 0.000 1.195 382 L HN -0.188 nan 8.230 nan 0.000 0.428 383 R N 0.940 121.423 120.500 -0.027 0.000 2.200 383 R HA 0.009 4.348 4.340 -0.000 0.000 0.208 383 R C 0.784 177.064 176.300 -0.033 0.000 1.033 383 R CA 0.251 56.327 56.100 -0.040 0.000 1.000 383 R CB -0.083 30.188 30.300 -0.048 0.000 0.906 383 R HN 0.702 nan 8.270 nan 0.000 0.462 384 Q N 1.390 121.176 119.800 -0.023 0.000 2.414 384 Q HA -0.047 4.292 4.340 -0.000 0.000 0.288 384 Q C -0.794 175.196 176.000 -0.016 0.000 1.086 384 Q CA 0.520 56.312 55.803 -0.018 0.000 0.943 384 Q CB 0.396 29.127 28.738 -0.013 0.000 1.282 384 Q HN -0.011 nan 8.270 nan 0.000 0.438 385 K N 1.443 121.835 120.400 -0.015 0.000 2.350 385 K HA 0.164 4.484 4.320 -0.000 0.000 0.279 385 K C -0.230 176.367 176.600 -0.005 0.000 1.027 385 K CA -0.478 55.802 56.287 -0.012 0.000 0.969 385 K CB 0.422 32.915 32.500 -0.011 0.000 0.954 385 K HN 0.439 nan 8.250 nan 0.000 0.474 386 L N 5.042 126.263 121.223 -0.002 0.000 2.319 386 L HA 0.223 4.563 4.340 -0.000 0.000 0.280 386 L C -0.954 175.919 176.870 0.005 0.000 1.099 386 L CA 0.280 55.123 54.840 0.005 0.000 0.828 386 L CB 0.221 42.286 42.059 0.011 0.000 1.150 386 L HN 0.456 nan 8.230 nan 0.000 0.442 387 L N 3.748 124.975 121.223 0.007 0.000 2.322 387 L HA 0.462 4.802 4.340 -0.000 0.000 0.269 387 L C 1.442 178.318 176.870 0.011 0.000 1.012 387 L CA -0.386 54.458 54.840 0.007 0.000 0.815 387 L CB 1.806 43.868 42.059 0.005 0.000 1.295 387 L HN 0.792 nan 8.230 nan 0.000 0.438 388 S N -1.260 114.446 115.700 0.010 0.000 2.383 388 S HA -0.206 4.264 4.470 -0.000 0.000 0.229 388 S C 1.684 176.293 174.600 0.014 0.000 1.030 388 S CA 1.662 59.869 58.200 0.012 0.000 1.002 388 S CB -0.901 62.306 63.200 0.011 0.000 0.829 388 S HN 0.895 nan 8.310 nan 0.000 0.467 389 T N -0.346 114.216 114.554 0.013 0.000 2.929 389 T HA -0.077 4.273 4.350 -0.000 0.000 0.271 389 T C 1.263 175.973 174.700 0.016 0.000 1.085 389 T CA 1.238 63.346 62.100 0.014 0.000 1.125 389 T CB -0.522 68.352 68.868 0.011 0.000 0.874 389 T HN 0.285 nan 8.240 nan 0.000 0.494 390 D N 1.316 121.725 120.400 0.015 0.000 2.117 390 D HA 0.030 4.670 4.640 -0.000 0.000 0.198 390 D C 1.872 178.186 176.300 0.024 0.000 0.982 390 D CA 0.744 54.754 54.000 0.016 0.000 0.828 390 D CB -0.185 40.624 40.800 0.015 0.000 0.967 390 D HN 0.361 nan 8.370 nan 0.000 0.464 391 I N 0.984 121.568 120.570 0.025 0.000 2.439 391 I HA -0.048 4.122 4.170 -0.000 0.000 0.251 391 I C 2.488 178.625 176.117 0.032 0.000 1.139 391 I CA 0.734 62.051 61.300 0.029 0.000 1.438 391 I CB -0.722 37.291 38.000 0.022 0.000 1.085 391 I HN -0.040 nan 8.210 nan 0.000 0.427 392 G N 0.017 108.834 108.800 0.028 0.000 2.418 392 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 392 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 392 G C 1.784 176.708 174.900 0.042 0.000 1.158 392 G CA 1.172 46.290 45.100 0.029 0.000 0.771 392 G HN 0.508 nan 8.290 nan 0.000 0.545 393 S N 0.048 115.773 115.700 0.043 0.000 2.428 393 S HA 0.004 4.473 4.470 -0.000 0.000 0.230 393 S C 2.200 176.857 174.600 0.095 0.000 1.014 393 S CA 1.113 59.347 58.200 0.056 0.000 0.957 393 S CB -0.072 63.149 63.200 0.035 0.000 0.784 393 S HN 0.107 nan 8.310 nan 0.000 0.499 394 V N 2.193 122.161 119.914 0.090 0.000 2.488 394 V HA 0.026 4.146 4.120 -0.000 0.000 0.246 394 V C 3.077 179.278 176.094 0.178 0.000 1.046 394 V CA 1.397 63.784 62.300 0.145 0.000 1.053 394 V CB -1.342 30.539 31.823 0.098 0.000 0.679 394 V HN 0.627 nan 8.190 nan 0.000 0.458 395 A N -0.568 122.311 122.820 0.098 0.000 1.933 395 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 395 A C 2.546 180.162 177.584 0.054 0.000 1.175 395 A CA 2.122 54.195 52.037 0.060 0.000 0.628 395 A CB -0.733 18.287 19.000 0.033 0.000 0.814 395 A HN 0.456 nan 8.150 nan 0.000 0.444 396 S N -1.390 114.354 115.700 0.075 0.000 2.368 396 S HA -0.169 4.301 4.470 -0.000 0.000 0.225 396 S C 1.751 176.399 174.600 0.081 0.000 1.030 396 S CA 1.687 59.926 58.200 0.064 0.000 0.999 396 S CB -0.528 62.715 63.200 0.072 0.000 0.844 396 S HN 0.634 nan 8.310 nan 0.000 0.459 397 F N 2.126 122.077 119.950 0.001 0.000 2.075 397 F HA 0.006 4.533 4.527 -0.000 0.000 0.297 397 F C 1.796 177.597 175.800 0.001 0.000 1.113 397 F CA 1.546 59.547 58.000 0.002 0.000 1.218 397 F CB -0.674 38.329 39.000 0.004 0.000 0.984 397 F HN 0.184 nan 8.300 nan 0.000 0.472 398 L N -0.039 121.018 121.223 -0.277 0.000 2.187 398 L HA -0.228 4.111 4.340 -0.000 0.000 0.213 398 L C 2.382 179.096 176.870 -0.260 0.000 1.100 398 L CA 1.008 55.636 54.840 -0.354 0.000 0.765 398 L CB -0.623 41.380 42.059 -0.092 0.000 0.904 398 L HN 0.279 nan 8.230 nan 0.000 0.437 399 L N -1.064 120.066 121.223 -0.156 0.000 2.270 399 L HA -0.005 4.335 4.340 -0.000 0.000 0.210 399 L C 1.623 178.423 176.870 -0.117 0.000 1.104 399 L CA -0.031 54.745 54.840 -0.106 0.000 0.804 399 L CB -0.218 41.809 42.059 -0.052 0.000 0.937 399 L HN 0.299 nan 8.230 nan 0.000 0.450 400 S N -0.872 114.739 115.700 -0.147 0.000 2.632 400 S HA 0.165 4.635 4.470 -0.000 0.000 0.267 400 S C 1.246 175.753 174.600 -0.156 0.000 1.276 400 S CA -0.712 57.420 58.200 -0.113 0.000 0.998 400 S CB 1.092 64.258 63.200 -0.056 0.000 0.953 400 S HN 0.083 nan 8.310 nan 0.000 0.547 401 R N 0.679 121.125 120.500 -0.091 0.000 2.241 401 R HA -0.030 4.310 4.340 -0.000 0.000 0.224 401 R C 1.568 177.817 176.300 -0.085 0.000 1.101 401 R CA 0.735 56.787 56.100 -0.079 0.000 0.995 401 R CB -0.685 29.593 30.300 -0.038 0.000 0.870 401 R HN 0.711 nan 8.270 nan 0.000 0.463 402 E N 0.284 120.434 120.200 -0.082 0.000 2.267 402 E HA -0.110 4.240 4.350 -0.000 0.000 0.197 402 E C 1.236 177.779 176.600 -0.093 0.000 0.998 402 E CA 1.362 57.761 56.400 -0.002 0.000 0.830 402 E CB -0.018 29.789 29.700 0.178 0.000 0.751 402 E HN 0.312 nan 8.360 nan 0.000 0.491 403 S N -0.049 115.424 115.700 -0.378 0.000 2.601 403 S HA 0.127 4.597 4.470 -0.000 0.000 0.244 403 S C 1.389 175.878 174.600 -0.184 0.000 1.001 403 S CA -0.479 57.487 58.200 -0.390 0.000 0.984 403 S CB 0.061 62.749 63.200 -0.853 0.000 0.842 403 S HN 0.253 nan 8.310 nan 0.000 0.474 404 R N 1.005 121.434 120.500 -0.118 0.000 2.226 404 R HA -0.080 4.260 4.340 -0.000 0.000 0.246 404 R C 1.524 177.797 176.300 -0.046 0.000 1.161 404 R CA 1.637 57.694 56.100 -0.072 0.000 0.997 404 R CB -0.719 29.554 30.300 -0.045 0.000 0.870 404 R HN 0.457 nan 8.270 nan 0.000 0.465 405 A N 0.960 123.763 122.820 -0.029 0.000 2.308 405 A HA 0.329 4.649 4.320 -0.000 0.000 0.217 405 A C 0.693 178.274 177.584 -0.005 0.000 1.216 405 A CA -0.354 51.678 52.037 -0.008 0.000 0.864 405 A CB 0.276 19.282 19.000 0.010 0.000 0.902 405 A HN 0.215 nan 8.150 nan 0.000 0.499 406 I N -0.054 120.504 120.570 -0.021 0.000 2.359 406 I HA 0.485 4.655 4.170 -0.000 0.000 0.294 406 I C 0.019 176.121 176.117 -0.025 0.000 0.987 406 I CA -0.232 61.063 61.300 -0.008 0.000 1.225 406 I CB 1.930 39.932 38.000 0.003 0.000 1.366 406 I HN 0.034 nan 8.210 nan 0.000 0.466 407 T N 3.024 117.571 114.554 -0.011 0.000 2.957 407 T HA 0.490 4.840 4.350 -0.000 0.000 0.336 407 T C 0.317 175.013 174.700 -0.007 0.000 1.462 407 T CA 0.300 62.390 62.100 -0.016 0.000 1.073 407 T CB 1.404 70.260 68.868 -0.020 0.000 1.319 407 T HN 1.012 nan 8.240 nan 0.000 0.485 408 G N 2.450 111.244 108.800 -0.011 0.000 2.168 408 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.263 408 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.263 408 G C 0.017 174.916 174.900 -0.003 0.000 0.977 408 G CA 0.531 45.626 45.100 -0.007 0.000 0.659 408 G HN 0.760 nan 8.290 nan 0.000 0.533 409 Q N 0.185 119.985 119.800 -0.001 0.000 2.227 409 Q HA 0.542 4.881 4.340 -0.000 0.000 0.245 409 Q C -0.193 175.801 176.000 -0.010 0.000 0.926 409 Q CA -0.016 55.791 55.803 0.007 0.000 0.895 409 Q CB 1.334 30.087 28.738 0.025 0.000 1.230 409 Q HN 0.167 nan 8.270 nan 0.000 0.450 410 T N 2.459 117.005 114.554 -0.013 0.000 2.781 410 T HA 0.430 4.779 4.350 -0.000 0.000 0.305 410 T C -0.118 174.542 174.700 -0.067 0.000 1.001 410 T CA -0.351 61.701 62.100 -0.081 0.000 0.950 410 T CB -0.092 68.714 68.868 -0.103 0.000 0.955 410 T HN 0.211 nan 8.240 nan 0.000 0.471 411 I N 3.867 124.394 120.570 -0.071 0.000 2.321 411 I HA 0.304 4.474 4.170 -0.000 0.000 0.291 411 I C -0.306 175.783 176.117 -0.046 0.000 0.998 411 I CA -0.713 60.593 61.300 0.011 0.000 1.227 411 I CB 0.548 38.585 38.000 0.062 0.000 1.368 411 I HN 0.534 nan 8.210 nan 0.000 0.466 412 Y N 5.278 125.597 120.300 0.032 0.000 2.335 412 Y HA 0.440 4.989 4.550 -0.000 0.000 0.331 412 Y C 0.289 176.204 175.900 0.026 0.000 1.094 412 Y CA -0.095 58.022 58.100 0.028 0.000 1.253 412 Y CB 0.964 39.439 38.460 0.024 0.000 1.203 412 Y HN 0.208 nan 8.280 nan 0.000 0.508 413 V N 3.936 123.947 119.914 0.161 0.000 2.558 413 V HA 0.195 4.315 4.120 -0.000 0.000 0.261 413 V C -0.914 175.241 176.094 0.102 0.000 0.958 413 V CA -0.708 61.654 62.300 0.103 0.000 0.852 413 V CB 0.754 32.613 31.823 0.061 0.000 1.067 413 V HN 0.891 nan 8.190 nan 0.000 0.468 414 D N 1.428 121.899 120.400 0.119 0.000 2.996 414 D HA 0.085 4.725 4.640 -0.000 0.000 0.343 414 D C 0.407 176.749 176.300 0.070 0.000 1.574 414 D CA -0.525 53.535 54.000 0.101 0.000 0.773 414 D CB -0.267 40.626 40.800 0.155 0.000 1.241 414 D HN 0.226 nan 8.370 nan 0.000 0.469 415 N N 0.928 119.659 118.700 0.052 0.000 2.681 415 N HA -0.185 4.555 4.740 -0.000 0.000 0.250 415 N C 1.265 176.792 175.510 0.028 0.000 1.133 415 N CA 1.625 54.694 53.050 0.032 0.000 0.732 415 N CB -1.447 37.054 38.487 0.022 0.000 1.107 415 N HN 0.836 nan 8.380 nan 0.000 0.559 416 G N -0.433 108.386 108.800 0.031 0.000 2.162 416 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.260 416 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.260 416 G C 0.841 175.741 174.900 -0.000 0.000 0.976 416 G CA 0.478 45.581 45.100 0.005 0.000 0.655 416 G HN 0.462 nan 8.290 nan 0.000 0.533 417 L N 0.947 122.187 121.223 0.028 0.000 2.127 417 L HA -0.183 4.157 4.340 -0.000 0.000 0.211 417 L C 2.806 179.678 176.870 0.004 0.000 1.089 417 L CA 2.819 57.688 54.840 0.048 0.000 0.757 417 L CB -0.456 41.655 42.059 0.086 0.000 0.899 417 L HN 0.699 nan 8.230 nan 0.000 0.434 418 N N 0.799 119.454 118.700 -0.074 0.000 2.364 418 N HA -0.250 4.490 4.740 -0.000 0.000 0.183 418 N C 1.709 177.111 175.510 -0.180 0.000 1.022 418 N CA 1.702 54.632 53.050 -0.201 0.000 0.883 418 N CB -0.704 37.399 38.487 -0.640 0.000 0.965 418 N HN 0.657 nan 8.380 nan 0.000 0.438 419 I N -3.712 116.784 120.570 -0.122 0.000 3.059 419 I HA 0.121 4.291 4.170 -0.000 0.000 0.270 419 I C 0.203 176.315 176.117 -0.007 0.000 1.238 419 I CA -0.012 61.241 61.300 -0.078 0.000 1.478 419 I CB -0.194 37.770 38.000 -0.059 0.000 1.097 419 I HN -0.024 nan 8.210 nan 0.000 0.455 420 M N 0.489 120.106 119.600 0.028 0.000 2.241 420 M HA 0.153 4.633 4.480 -0.000 0.000 0.335 420 M C 0.367 176.764 176.300 0.162 0.000 1.122 420 M CA -0.026 55.322 55.300 0.081 0.000 1.164 420 M CB 0.768 33.414 32.600 0.077 0.000 1.459 420 M HN 0.190 nan 8.290 nan 0.000 0.461 421 F N 1.856 121.797 119.950 -0.017 0.000 2.536 421 F HA 0.437 4.964 4.527 -0.000 0.000 0.278 421 F C -0.272 175.517 175.800 -0.019 0.000 0.945 421 F CA 0.291 58.279 58.000 -0.018 0.000 1.244 421 F CB 0.453 39.443 39.000 -0.017 0.000 1.118 421 F HN 0.359 nan 8.300 nan 0.000 0.725 422 L N 2.465 123.605 121.223 -0.139 0.000 2.365 422 L HA 0.396 4.736 4.340 -0.000 0.000 0.273 422 L C -1.755 175.033 176.870 -0.137 0.000 1.000 422 L CA -2.028 52.644 54.840 -0.280 0.000 0.819 422 L CB 1.454 43.316 42.059 -0.328 0.000 1.284 422 L HN 0.020 nan 8.230 nan 0.000 0.418 423 P HA 0.204 nan 4.420 nan 0.000 0.339 423 P C -0.809 176.440 177.300 -0.086 0.000 1.413 423 P CA 0.260 63.229 63.100 -0.219 0.000 0.833 423 P CB 1.117 32.497 31.700 -0.533 0.000 2.004 424 D N -2.135 118.252 120.400 -0.023 0.000 2.887 424 D HA 0.057 4.697 4.640 -0.000 0.000 0.162 424 D C 0.124 176.460 176.300 0.061 0.000 1.495 424 D CA 0.076 54.101 54.000 0.042 0.000 1.531 424 D CB -0.718 40.133 40.800 0.085 0.000 1.459 424 D HN 0.307 nan 8.370 nan 0.000 0.256 425 D N 0.000 120.487 120.400 0.145 0.000 6.856 425 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 425 D CA 0.000 54.070 54.000 0.116 0.000 0.868 425 D CB 0.000 40.860 40.800 0.100 0.000 0.688 425 D HN 0.000 nan 8.370 nan 0.000 0.683