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 1nhg_1_C 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 0.000 175.941 175.900 0.068 0.000 1.272 366 Y CA 0.000 58.131 58.100 0.052 0.000 1.940 366 Y CB 0.000 38.491 38.460 0.052 0.000 1.050 367 T N -2.351 112.309 114.554 0.177 0.000 0.542 367 T HA -0.284 4.065 4.350 -0.000 0.000 0.774 367 T C -0.096 174.674 174.700 0.118 0.000 0.992 367 T CA 0.291 62.456 62.100 0.108 0.000 4.076 367 T CB -1.222 67.666 68.868 0.034 0.000 2.303 367 T HN 0.873 nan 8.240 nan 0.000 0.398 368 F N 3.515 123.489 119.950 0.041 0.000 2.091 368 F HA -0.007 4.520 4.527 -0.000 0.000 0.299 368 F C 2.136 177.981 175.800 0.074 0.000 1.103 368 F CA 2.082 60.123 58.000 0.069 0.000 1.228 368 F CB -0.451 38.576 39.000 0.045 0.000 0.984 368 F HN 0.759 nan 8.300 nan 0.000 0.477 369 I N 0.866 121.313 120.570 -0.205 0.000 2.315 369 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 369 I C 1.981 177.921 176.117 -0.295 0.000 1.117 369 I CA 1.658 62.759 61.300 -0.332 0.000 1.404 369 I CB -0.826 37.121 38.000 -0.089 0.000 1.071 369 I HN 0.163 nan 8.210 nan 0.000 0.419 370 D N -0.894 119.337 120.400 -0.282 0.000 2.178 370 D HA -0.229 4.411 4.640 -0.000 0.000 0.202 370 D C 1.913 177.986 176.300 -0.379 0.000 0.974 370 D CA 1.174 54.930 54.000 -0.406 0.000 0.841 370 D CB -0.239 40.151 40.800 -0.684 0.000 0.953 370 D HN 0.432 nan 8.370 nan 0.000 0.478 371 Y N 1.971 122.051 120.300 -0.368 0.000 2.133 371 Y HA -0.121 4.429 4.550 -0.000 0.000 0.287 371 Y C 2.332 178.188 175.900 -0.074 0.000 1.134 371 Y CA 1.612 59.670 58.100 -0.071 0.000 1.133 371 Y CB -0.499 37.993 38.460 0.054 0.000 0.987 371 Y HN -0.074 nan 8.280 nan 0.000 0.502 372 A N 0.616 123.252 122.820 -0.307 0.000 1.908 372 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 372 A C 2.354 179.815 177.584 -0.206 0.000 1.181 372 A CA 2.179 54.008 52.037 -0.346 0.000 0.627 372 A CB -1.236 17.468 19.000 -0.493 0.000 0.818 372 A HN 0.594 nan 8.150 nan 0.000 0.445 373 I N -0.972 119.479 120.570 -0.199 0.000 2.179 373 I HA -0.243 3.927 4.170 -0.000 0.000 0.242 373 I C 2.626 178.677 176.117 -0.110 0.000 1.088 373 I CA 1.736 62.959 61.300 -0.129 0.000 1.357 373 I CB -0.329 37.594 38.000 -0.128 0.000 1.051 373 I HN 0.499 nan 8.210 nan 0.000 0.409 374 E N 0.234 120.359 120.200 -0.125 0.000 2.077 374 E HA -0.283 4.067 4.350 -0.000 0.000 0.193 374 E C 2.217 178.735 176.600 -0.138 0.000 0.989 374 E CA 1.338 57.680 56.400 -0.097 0.000 0.800 374 E CB -0.115 29.579 29.700 -0.009 0.000 0.746 374 E HN 0.462 nan 8.360 nan 0.000 0.452 375 Y N 0.670 120.790 120.300 -0.301 0.000 2.181 375 Y HA -0.225 4.325 4.550 -0.000 0.000 0.288 375 Y C 2.656 178.482 175.900 -0.124 0.000 1.146 375 Y CA 1.905 59.856 58.100 -0.247 0.000 1.164 375 Y CB -0.438 37.780 38.460 -0.403 0.000 0.982 375 Y HN -0.007 nan 8.280 nan 0.000 0.515 376 S N -0.109 115.635 115.700 0.073 0.000 2.356 376 S HA -0.212 4.258 4.470 -0.000 0.000 0.223 376 S C 1.804 176.366 174.600 -0.062 0.000 1.032 376 S CA 1.717 59.947 58.200 0.051 0.000 1.005 376 S CB -0.377 62.845 63.200 0.037 0.000 0.867 376 S HN 0.665 nan 8.310 nan 0.000 0.449 377 E N 0.137 120.275 120.200 -0.104 0.000 2.338 377 E HA -0.064 4.286 4.350 -0.000 0.000 0.197 377 E C 2.025 178.504 176.600 -0.202 0.000 1.007 377 E CA 0.703 57.029 56.400 -0.123 0.000 0.849 377 E CB 0.081 29.719 29.700 -0.104 0.000 0.774 377 E HN 0.507 nan 8.360 nan 0.000 0.506 378 K N -0.539 119.651 120.400 -0.349 0.000 2.214 378 K HA 0.028 4.348 4.320 -0.000 0.000 0.201 378 K C 1.156 177.374 176.600 -0.636 0.000 1.049 378 K CA 0.568 56.515 56.287 -0.566 0.000 0.978 378 K CB 0.298 32.276 32.500 -0.870 0.000 0.842 378 K HN 0.086 nan 8.250 nan 0.000 0.474 379 Y N 0.583 120.700 120.300 -0.305 0.000 2.458 379 Y HA 0.333 4.883 4.550 -0.000 0.000 0.254 379 Y C 0.765 176.591 175.900 -0.124 0.000 1.120 379 Y CA -0.878 57.064 58.100 -0.263 0.000 1.282 379 Y CB 0.048 38.229 38.460 -0.466 0.000 1.109 379 Y HN -0.090 nan 8.280 nan 0.000 0.526 380 A N 1.335 124.171 122.820 0.027 0.000 2.425 380 A HA 0.178 4.498 4.320 -0.000 0.000 0.242 380 A C -1.356 176.241 177.584 0.022 0.000 1.077 380 A CA -0.944 51.120 52.037 0.044 0.000 0.781 380 A CB -0.032 18.988 19.000 0.033 0.000 1.020 380 A HN 0.116 nan 8.150 nan 0.000 0.494 381 P HA -0.087 nan 4.420 nan 0.000 0.216 381 P C -0.134 177.168 177.300 0.003 0.000 1.150 381 P CA 0.973 64.082 63.100 0.016 0.000 0.843 381 P CB 0.048 31.758 31.700 0.016 0.000 0.787 382 L N -0.370 120.854 121.223 0.002 0.000 2.264 382 L HA 0.260 4.600 4.340 -0.000 0.000 0.287 382 L C 0.424 177.283 176.870 -0.017 0.000 1.039 382 L CA -0.156 54.680 54.840 -0.007 0.000 0.829 382 L CB 0.735 42.794 42.059 -0.001 0.000 1.211 382 L HN -0.300 nan 8.230 nan 0.000 0.427 383 R N 3.816 124.298 120.500 -0.030 0.000 2.893 383 R HA 0.299 4.639 4.340 -0.000 0.000 0.243 383 R C -0.388 175.889 176.300 -0.039 0.000 1.481 383 R CA -0.017 56.055 56.100 -0.047 0.000 1.250 383 R CB -0.020 30.243 30.300 -0.062 0.000 1.213 383 R HN 0.667 nan 8.270 nan 0.000 0.609 384 Q N 0.087 119.868 119.800 -0.032 0.000 2.462 384 Q HA 0.390 4.729 4.340 -0.000 0.000 0.285 384 Q C -1.142 174.843 176.000 -0.025 0.000 1.035 384 Q CA -1.239 54.548 55.803 -0.026 0.000 0.799 384 Q CB 1.678 30.405 28.738 -0.018 0.000 1.452 384 Q HN 0.032 nan 8.270 nan 0.000 0.404 385 K N 1.219 121.605 120.400 -0.024 0.000 2.339 385 K HA 0.205 4.525 4.320 -0.000 0.000 0.286 385 K C -0.572 176.019 176.600 -0.014 0.000 1.050 385 K CA -0.527 55.746 56.287 -0.022 0.000 0.956 385 K CB 0.583 33.069 32.500 -0.022 0.000 0.990 385 K HN 0.424 nan 8.250 nan 0.000 0.475 386 L N 5.913 127.129 121.223 -0.012 0.000 2.385 386 L HA 0.163 4.503 4.340 -0.000 0.000 0.281 386 L C -0.816 176.052 176.870 -0.003 0.000 1.106 386 L CA 0.299 55.138 54.840 -0.003 0.000 0.856 386 L CB -0.043 42.018 42.059 0.003 0.000 1.186 386 L HN 0.453 nan 8.230 nan 0.000 0.453 387 L N 3.817 125.039 121.223 -0.001 0.000 2.379 387 L HA 0.376 4.716 4.340 -0.000 0.000 0.269 387 L C 1.581 178.453 176.870 0.004 0.000 1.084 387 L CA -0.182 54.658 54.840 -0.000 0.000 0.802 387 L CB 1.504 43.562 42.059 -0.001 0.000 1.175 387 L HN 0.782 nan 8.230 nan 0.000 0.448 388 S N -1.250 114.452 115.700 0.004 0.000 2.419 388 S HA -0.177 4.293 4.470 -0.000 0.000 0.233 388 S C 1.591 176.197 174.600 0.009 0.000 1.016 388 S CA 1.369 59.573 58.200 0.007 0.000 0.974 388 S CB -0.709 62.494 63.200 0.006 0.000 0.786 388 S HN 0.886 nan 8.310 nan 0.000 0.492 389 T N -1.159 113.400 114.554 0.008 0.000 3.085 389 T HA 0.040 4.390 4.350 -0.000 0.000 0.263 389 T C 1.154 175.862 174.700 0.013 0.000 1.127 389 T CA 0.834 62.940 62.100 0.011 0.000 1.103 389 T CB -0.359 68.513 68.868 0.008 0.000 0.921 389 T HN 0.253 nan 8.240 nan 0.000 0.510 390 D N 1.175 121.583 120.400 0.012 0.000 2.183 390 D HA 0.060 4.700 4.640 -0.000 0.000 0.203 390 D C 1.723 178.036 176.300 0.021 0.000 0.969 390 D CA 0.561 54.570 54.000 0.014 0.000 0.842 390 D CB -0.099 40.708 40.800 0.012 0.000 0.957 390 D HN 0.354 nan 8.370 nan 0.000 0.484 391 I N 0.817 121.399 120.570 0.021 0.000 2.500 391 I HA -0.020 4.150 4.170 -0.000 0.000 0.252 391 I C 2.457 178.591 176.117 0.028 0.000 1.142 391 I CA 0.661 61.976 61.300 0.024 0.000 1.451 391 I CB -0.669 37.342 38.000 0.018 0.000 1.093 391 I HN -0.053 nan 8.210 nan 0.000 0.430 392 G N -0.038 108.776 108.800 0.024 0.000 2.421 392 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.216 392 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.216 392 G C 1.811 176.734 174.900 0.039 0.000 1.171 392 G CA 1.176 46.292 45.100 0.026 0.000 0.775 392 G HN 0.497 nan 8.290 nan 0.000 0.543 393 S N 0.244 115.968 115.700 0.040 0.000 2.383 393 S HA -0.072 4.398 4.470 -0.000 0.000 0.227 393 S C 2.272 176.926 174.600 0.089 0.000 1.026 393 S CA 1.377 59.609 58.200 0.053 0.000 0.981 393 S CB -0.399 62.821 63.200 0.034 0.000 0.818 393 S HN 0.108 nan 8.310 nan 0.000 0.472 394 V N 2.502 122.465 119.914 0.081 0.000 2.358 394 V HA -0.052 4.068 4.120 -0.000 0.000 0.246 394 V C 3.152 179.334 176.094 0.147 0.000 1.047 394 V CA 1.501 63.876 62.300 0.125 0.000 1.035 394 V CB -1.520 30.355 31.823 0.087 0.000 0.658 394 V HN 0.659 nan 8.190 nan 0.000 0.452 395 A N -0.509 122.360 122.820 0.083 0.000 1.877 395 A HA -0.251 4.069 4.320 -0.000 0.000 0.216 395 A C 2.563 180.177 177.584 0.050 0.000 1.186 395 A CA 2.252 54.320 52.037 0.052 0.000 0.620 395 A CB -0.897 18.120 19.000 0.029 0.000 0.822 395 A HN 0.466 nan 8.150 nan 0.000 0.443 396 S N -1.441 114.299 115.700 0.068 0.000 2.374 396 S HA -0.203 4.267 4.470 -0.000 0.000 0.227 396 S C 1.758 176.407 174.600 0.082 0.000 1.037 396 S CA 1.873 60.111 58.200 0.063 0.000 1.024 396 S CB -0.536 62.707 63.200 0.071 0.000 0.861 396 S HN 0.639 nan 8.310 nan 0.000 0.456 397 F N 1.875 121.826 119.950 0.002 0.000 2.113 397 F HA 0.078 4.605 4.527 -0.000 0.000 0.297 397 F C 1.785 177.587 175.800 0.002 0.000 1.103 397 F CA 1.379 59.381 58.000 0.002 0.000 1.248 397 F CB -0.493 38.510 39.000 0.004 0.000 0.999 397 F HN 0.183 nan 8.300 nan 0.000 0.475 398 L N -0.119 120.973 121.223 -0.218 0.000 2.201 398 L HA -0.174 4.166 4.340 -0.000 0.000 0.212 398 L C 2.176 178.911 176.870 -0.226 0.000 1.105 398 L CA 0.812 55.477 54.840 -0.292 0.000 0.775 398 L CB -0.523 41.493 42.059 -0.071 0.000 0.913 398 L HN 0.254 nan 8.230 nan 0.000 0.440 399 L N -1.139 119.998 121.223 -0.143 0.000 2.446 399 L HA 0.028 4.367 4.340 -0.000 0.000 0.219 399 L C 1.568 178.371 176.870 -0.112 0.000 1.116 399 L CA -0.143 54.638 54.840 -0.100 0.000 0.844 399 L CB -0.124 41.905 42.059 -0.050 0.000 0.970 399 L HN 0.271 nan 8.230 nan 0.000 0.457 400 S N -0.808 114.801 115.700 -0.152 0.000 2.681 400 S HA 0.228 4.698 4.470 -0.000 0.000 0.270 400 S C 0.993 175.496 174.600 -0.161 0.000 1.209 400 S CA -0.697 57.431 58.200 -0.121 0.000 0.988 400 S CB 0.999 64.154 63.200 -0.074 0.000 1.006 400 S HN 0.111 nan 8.310 nan 0.000 0.558 401 R N 0.236 120.677 120.500 -0.099 0.000 2.323 401 R HA 0.074 4.414 4.340 -0.000 0.000 0.198 401 R C 1.173 177.418 176.300 -0.091 0.000 0.988 401 R CA 0.214 56.261 56.100 -0.088 0.000 1.041 401 R CB -0.136 30.137 30.300 -0.045 0.000 0.926 401 R HN 0.668 nan 8.270 nan 0.000 0.476 402 E N 0.454 120.588 120.200 -0.111 0.000 2.268 402 E HA -0.091 4.259 4.350 -0.000 0.000 0.195 402 E C 1.060 177.591 176.600 -0.116 0.000 0.995 402 E CA 1.135 57.525 56.400 -0.017 0.000 0.836 402 E CB 0.154 29.957 29.700 0.173 0.000 0.763 402 E HN 0.219 nan 8.360 nan 0.000 0.491 403 S N 0.355 115.808 115.700 -0.411 0.000 2.562 403 S HA 0.172 4.642 4.470 -0.000 0.000 0.246 403 S C 1.248 175.739 174.600 -0.182 0.000 1.056 403 S CA -0.661 57.303 58.200 -0.393 0.000 1.042 403 S CB -0.018 62.672 63.200 -0.850 0.000 0.822 403 S HN 0.210 nan 8.310 nan 0.000 0.465 404 R N 0.528 120.963 120.500 -0.108 0.000 2.211 404 R HA 0.039 4.379 4.340 -0.000 0.000 0.240 404 R C 1.482 177.758 176.300 -0.039 0.000 1.144 404 R CA 1.438 57.499 56.100 -0.066 0.000 0.992 404 R CB -0.612 29.664 30.300 -0.040 0.000 0.869 404 R HN 0.458 nan 8.270 nan 0.000 0.462 405 A N 1.060 123.867 122.820 -0.021 0.000 2.387 405 A HA 0.337 4.657 4.320 -0.000 0.000 0.234 405 A C 0.490 178.076 177.584 0.003 0.000 1.253 405 A CA -0.365 51.671 52.037 -0.001 0.000 0.894 405 A CB 0.256 19.266 19.000 0.016 0.000 0.963 405 A HN 0.202 nan 8.150 nan 0.000 0.508 406 I N 0.046 120.609 120.570 -0.012 0.000 2.362 406 I HA 0.467 4.637 4.170 -0.000 0.000 0.289 406 I C -0.123 175.984 176.117 -0.017 0.000 0.994 406 I CA -0.249 61.051 61.300 0.000 0.000 1.158 406 I CB 2.030 40.040 38.000 0.017 0.000 1.315 406 I HN 0.047 nan 8.210 nan 0.000 0.451 407 T N 3.152 117.703 114.554 -0.005 0.000 2.885 407 T HA 0.515 4.865 4.350 -0.000 0.000 0.322 407 T C 0.309 175.008 174.700 -0.002 0.000 1.387 407 T CA 0.301 62.395 62.100 -0.010 0.000 1.041 407 T CB 1.495 70.354 68.868 -0.015 0.000 1.287 407 T HN 0.999 nan 8.240 nan 0.000 0.491 408 G N 2.614 111.411 108.800 -0.005 0.000 2.179 408 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.257 408 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.257 408 G C -0.093 174.811 174.900 0.006 0.000 1.010 408 G CA 0.425 45.525 45.100 -0.001 0.000 0.736 408 G HN 0.723 nan 8.290 nan 0.000 0.513 409 Q N -0.278 119.526 119.800 0.007 0.000 2.248 409 Q HA 0.639 4.979 4.340 -0.000 0.000 0.263 409 Q C -0.215 175.788 176.000 0.004 0.000 1.007 409 Q CA -0.267 55.547 55.803 0.018 0.000 0.877 409 Q CB 1.634 30.392 28.738 0.033 0.000 1.315 409 Q HN 0.158 nan 8.270 nan 0.000 0.454 410 T N 2.312 116.871 114.554 0.008 0.000 2.788 410 T HA 0.449 4.799 4.350 -0.000 0.000 0.296 410 T C -0.018 174.668 174.700 -0.024 0.000 1.009 410 T CA -0.439 61.632 62.100 -0.048 0.000 0.949 410 T CB 0.243 69.073 68.868 -0.064 0.000 0.946 410 T HN 0.233 nan 8.240 nan 0.000 0.453 411 I N 3.807 124.350 120.570 -0.045 0.000 2.336 411 I HA 0.314 4.484 4.170 -0.000 0.000 0.292 411 I C -0.235 175.861 176.117 -0.034 0.000 0.991 411 I CA -1.061 60.258 61.300 0.032 0.000 1.227 411 I CB 0.735 38.771 38.000 0.060 0.000 1.366 411 I HN 0.602 nan 8.210 nan 0.000 0.466 412 Y N 4.883 125.205 120.300 0.036 0.000 2.336 412 Y HA 0.331 4.881 4.550 -0.000 0.000 0.335 412 Y C 0.477 176.396 175.900 0.032 0.000 1.046 412 Y CA -0.261 57.860 58.100 0.034 0.000 1.198 412 Y CB 1.353 39.833 38.460 0.033 0.000 1.182 412 Y HN 0.220 nan 8.280 nan 0.000 0.502 413 V N 4.043 124.038 119.914 0.136 0.000 2.383 413 V HA 0.192 4.312 4.120 -0.000 0.000 0.264 413 V C -0.813 175.339 176.094 0.097 0.000 1.001 413 V CA -0.640 61.716 62.300 0.094 0.000 0.828 413 V CB 0.591 32.445 31.823 0.053 0.000 1.069 413 V HN 0.882 nan 8.190 nan 0.000 0.451 414 D N 1.265 121.738 120.400 0.122 0.000 2.785 414 D HA 0.101 4.741 4.640 -0.000 0.000 0.324 414 D C 0.493 176.841 176.300 0.080 0.000 1.523 414 D CA -0.544 53.522 54.000 0.109 0.000 0.789 414 D CB -0.225 40.676 40.800 0.169 0.000 1.171 414 D HN 0.211 nan 8.370 nan 0.000 0.447 415 N N 0.742 119.477 118.700 0.059 0.000 2.713 415 N HA -0.187 4.552 4.740 -0.000 0.000 0.251 415 N C 1.261 176.795 175.510 0.040 0.000 1.117 415 N CA 1.674 54.748 53.050 0.039 0.000 0.770 415 N CB -1.385 37.117 38.487 0.026 0.000 1.137 415 N HN 0.817 nan 8.380 nan 0.000 0.566 416 G N -0.404 108.427 108.800 0.052 0.000 2.159 416 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.256 416 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.256 416 G C 0.863 175.783 174.900 0.034 0.000 0.977 416 G CA 0.468 45.588 45.100 0.033 0.000 0.652 416 G HN 0.435 nan 8.290 nan 0.000 0.531 417 L N 1.007 122.268 121.223 0.064 0.000 2.051 417 L HA -0.239 4.101 4.340 -0.000 0.000 0.214 417 L C 2.876 179.784 176.870 0.063 0.000 1.076 417 L CA 3.067 57.962 54.840 0.092 0.000 0.758 417 L CB -0.529 41.610 42.059 0.133 0.000 0.890 417 L HN 0.733 nan 8.230 nan 0.000 0.433 418 N N 0.802 119.504 118.700 0.004 0.000 2.430 418 N HA -0.254 4.486 4.740 -0.000 0.000 0.186 418 N C 1.615 177.058 175.510 -0.111 0.000 1.032 418 N CA 1.763 54.750 53.050 -0.105 0.000 0.893 418 N CB -0.706 37.526 38.487 -0.425 0.000 0.957 418 N HN 0.681 nan 8.380 nan 0.000 0.442 419 I N -3.979 116.550 120.570 -0.068 0.000 3.578 419 I HA 0.184 4.354 4.170 -0.000 0.000 0.295 419 I C 0.127 176.256 176.117 0.020 0.000 1.280 419 I CA -0.185 61.087 61.300 -0.045 0.000 1.347 419 I CB -0.117 37.859 38.000 -0.039 0.000 1.051 419 I HN -0.017 nan 8.210 nan 0.000 0.460 420 M N 0.466 120.101 119.600 0.059 0.000 2.250 420 M HA 0.208 4.688 4.480 -0.000 0.000 0.344 420 M C 0.180 176.592 176.300 0.187 0.000 1.150 420 M CA -0.109 55.254 55.300 0.105 0.000 1.147 420 M CB 1.171 33.831 32.600 0.100 0.000 1.498 420 M HN 0.185 nan 8.290 nan 0.000 0.461 421 F N 1.980 121.926 119.950 -0.006 0.000 2.495 421 F HA 0.426 4.953 4.527 -0.000 0.000 0.271 421 F C -0.244 175.545 175.800 -0.017 0.000 0.889 421 F CA 0.179 58.174 58.000 -0.009 0.000 1.129 421 F CB 0.264 39.256 39.000 -0.013 0.000 1.169 421 F HN 0.348 nan 8.300 nan 0.000 0.781 422 L N 3.804 124.921 121.223 -0.176 0.000 2.272 422 L HA 0.384 4.724 4.340 -0.000 0.000 0.289 422 L C -2.125 174.620 176.870 -0.208 0.000 1.032 422 L CA -1.943 52.698 54.840 -0.332 0.000 0.810 422 L CB 0.993 42.857 42.059 -0.325 0.000 1.205 422 L HN 0.113 nan 8.230 nan 0.000 0.422 423 P HA 0.108 nan 4.420 nan 0.000 0.274 423 P C -0.305 176.826 177.300 -0.283 0.000 1.237 423 P CA -0.448 62.343 63.100 -0.516 0.000 0.793 423 P CB 1.348 32.293 31.700 -1.258 0.000 0.977 424 D N 0.151 120.495 120.400 -0.094 0.000 2.087 424 D HA -0.142 4.497 4.640 -0.000 0.000 0.192 424 D C 0.747 177.066 176.300 0.032 0.000 0.993 424 D CA 1.489 55.506 54.000 0.029 0.000 0.828 424 D CB -0.460 40.410 40.800 0.117 0.000 0.968 424 D HN 0.561 nan 8.370 nan 0.000 0.448 425 D N 0.000 120.486 120.400 0.143 0.000 6.856 425 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 425 D CA 0.000 54.071 54.000 0.118 0.000 0.868 425 D CB 0.000 40.952 40.800 0.254 0.000 0.688 425 D HN 0.000 nan 8.370 nan 0.000 0.683