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 1nnu_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 0.000 175.937 175.900 0.062 0.000 1.272 366 Y CA 0.000 58.127 58.100 0.044 0.000 1.940 366 Y CB 0.000 38.487 38.460 0.045 0.000 1.050 367 T N -2.714 111.946 114.554 0.176 0.000 0.541 367 T HA -0.319 4.031 4.350 -0.000 0.000 0.774 367 T C -0.077 174.651 174.700 0.047 0.000 0.992 367 T CA 0.494 62.646 62.100 0.086 0.000 4.077 367 T CB -1.158 67.729 68.868 0.032 0.000 2.303 367 T HN 0.756 nan 8.240 nan 0.000 0.398 368 F N 2.330 122.279 119.950 -0.001 0.000 2.102 368 F HA 0.110 4.637 4.527 -0.000 0.000 0.298 368 F C 2.225 178.034 175.800 0.016 0.000 1.105 368 F CA 1.617 59.640 58.000 0.037 0.000 1.239 368 F CB -0.519 38.505 39.000 0.040 0.000 0.991 368 F HN 0.709 nan 8.300 nan 0.000 0.474 369 I N 1.058 121.451 120.570 -0.296 0.000 2.264 369 I HA -0.280 3.890 4.170 -0.000 0.000 0.248 369 I C 1.951 177.849 176.117 -0.366 0.000 1.111 369 I CA 1.701 62.759 61.300 -0.403 0.000 1.382 369 I CB -0.822 37.088 38.000 -0.151 0.000 1.060 369 I HN 0.164 nan 8.210 nan 0.000 0.418 370 D N -1.045 119.137 120.400 -0.364 0.000 2.178 370 D HA -0.222 4.418 4.640 -0.000 0.000 0.202 370 D C 1.894 177.926 176.300 -0.447 0.000 0.974 370 D CA 1.104 54.836 54.000 -0.447 0.000 0.841 370 D CB -0.208 40.184 40.800 -0.680 0.000 0.953 370 D HN 0.436 nan 8.370 nan 0.000 0.478 371 Y N 1.836 121.802 120.300 -0.557 0.000 2.220 371 Y HA -0.003 4.547 4.550 -0.000 0.000 0.291 371 Y C 2.265 178.069 175.900 -0.159 0.000 1.129 371 Y CA 1.159 59.121 58.100 -0.230 0.000 1.161 371 Y CB -0.420 38.006 38.460 -0.057 0.000 0.997 371 Y HN -0.084 nan 8.280 nan 0.000 0.522 372 A N 0.718 123.264 122.820 -0.457 0.000 1.883 372 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 372 A C 2.353 179.784 177.584 -0.255 0.000 1.186 372 A CA 2.151 53.906 52.037 -0.470 0.000 0.624 372 A CB -1.170 17.424 19.000 -0.677 0.000 0.822 372 A HN 0.544 nan 8.150 nan 0.000 0.444 373 I N -0.767 119.665 120.570 -0.230 0.000 2.179 373 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 373 I C 2.625 178.680 176.117 -0.104 0.000 1.088 373 I CA 1.876 63.093 61.300 -0.138 0.000 1.357 373 I CB -0.404 37.519 38.000 -0.128 0.000 1.051 373 I HN 0.589 nan 8.210 nan 0.000 0.409 374 E N 0.602 120.738 120.200 -0.106 0.000 2.077 374 E HA -0.308 4.042 4.350 -0.000 0.000 0.193 374 E C 2.289 178.834 176.600 -0.091 0.000 0.989 374 E CA 1.458 57.819 56.400 -0.065 0.000 0.800 374 E CB -0.259 29.457 29.700 0.027 0.000 0.746 374 E HN 0.498 nan 8.360 nan 0.000 0.452 375 Y N 0.550 120.705 120.300 -0.242 0.000 2.293 375 Y HA -0.145 4.405 4.550 -0.000 0.000 0.291 375 Y C 2.553 178.408 175.900 -0.076 0.000 1.137 375 Y CA 1.704 59.699 58.100 -0.174 0.000 1.202 375 Y CB -0.315 37.916 38.460 -0.382 0.000 0.990 375 Y HN 0.091 nan 8.280 nan 0.000 0.537 376 S N -0.131 115.607 115.700 0.064 0.000 2.371 376 S HA -0.165 4.305 4.470 -0.000 0.000 0.224 376 S C 1.698 176.257 174.600 -0.068 0.000 1.029 376 S CA 1.502 59.727 58.200 0.041 0.000 0.978 376 S CB -0.310 62.906 63.200 0.027 0.000 0.833 376 S HN 0.663 nan 8.310 nan 0.000 0.466 377 E N 0.136 120.269 120.200 -0.111 0.000 2.427 377 E HA 0.020 4.370 4.350 -0.000 0.000 0.196 377 E C 1.868 178.335 176.600 -0.222 0.000 1.028 377 E CA 0.496 56.817 56.400 -0.131 0.000 0.864 377 E CB 0.130 29.768 29.700 -0.103 0.000 0.813 377 E HN 0.461 nan 8.360 nan 0.000 0.514 378 K N -0.532 119.635 120.400 -0.388 0.000 2.335 378 K HA 0.052 4.372 4.320 -0.000 0.000 0.195 378 K C 0.788 176.902 176.600 -0.809 0.000 1.058 378 K CA 0.472 56.368 56.287 -0.652 0.000 0.988 378 K CB 0.493 32.424 32.500 -0.949 0.000 0.880 378 K HN 0.116 nan 8.250 nan 0.000 0.513 379 Y N 0.113 120.236 120.300 -0.296 0.000 2.430 379 Y HA 0.348 4.898 4.550 -0.000 0.000 0.248 379 Y C 0.681 176.501 175.900 -0.134 0.000 1.108 379 Y CA -0.921 57.020 58.100 -0.265 0.000 1.264 379 Y CB 0.189 38.362 38.460 -0.479 0.000 1.172 379 Y HN -0.141 nan 8.280 nan 0.000 0.520 380 A N 1.659 124.480 122.820 0.002 0.000 2.483 380 A HA 0.146 4.466 4.320 -0.000 0.000 0.238 380 A C -1.404 176.186 177.584 0.010 0.000 1.070 380 A CA -0.820 51.233 52.037 0.026 0.000 0.770 380 A CB -0.063 18.945 19.000 0.014 0.000 1.008 380 A HN 0.128 nan 8.150 nan 0.000 0.497 381 P HA -0.062 nan 4.420 nan 0.000 0.218 381 P C -0.187 177.111 177.300 -0.003 0.000 1.148 381 P CA 0.967 64.073 63.100 0.010 0.000 0.822 381 P CB 0.076 31.783 31.700 0.012 0.000 0.784 382 L N -0.408 120.812 121.223 -0.004 0.000 2.295 382 L HA 0.294 4.634 4.340 -0.000 0.000 0.281 382 L C 0.277 177.132 176.870 -0.024 0.000 1.018 382 L CA -0.319 54.514 54.840 -0.012 0.000 0.841 382 L CB 1.023 43.079 42.059 -0.006 0.000 1.218 382 L HN -0.330 nan 8.230 nan 0.000 0.424 383 R N 4.117 124.595 120.500 -0.037 0.000 2.220 383 R HA 0.525 4.864 4.340 -0.000 0.000 0.340 383 R C -0.625 175.649 176.300 -0.043 0.000 1.076 383 R CA -0.085 55.983 56.100 -0.054 0.000 0.920 383 R CB 0.347 30.605 30.300 -0.070 0.000 1.062 383 R HN 0.689 nan 8.270 nan 0.000 0.469 384 Q N 1.063 120.839 119.800 -0.040 0.000 2.736 384 Q HA 0.221 4.561 4.340 -0.000 0.000 0.273 384 Q C -1.370 174.613 176.000 -0.030 0.000 0.948 384 Q CA -1.154 54.630 55.803 -0.032 0.000 0.854 384 Q CB 0.952 29.676 28.738 -0.023 0.000 1.569 384 Q HN 0.201 nan 8.270 nan 0.000 0.405 385 K N 1.271 121.655 120.400 -0.027 0.000 2.412 385 K HA 0.231 4.551 4.320 -0.000 0.000 0.281 385 K C -0.393 176.197 176.600 -0.018 0.000 1.027 385 K CA -0.461 55.811 56.287 -0.025 0.000 0.989 385 K CB 0.521 33.007 32.500 -0.024 0.000 0.935 385 K HN 0.470 nan 8.250 nan 0.000 0.475 386 L N 5.261 126.475 121.223 -0.016 0.000 2.313 386 L HA 0.212 4.552 4.340 -0.000 0.000 0.282 386 L C -0.814 176.051 176.870 -0.008 0.000 1.092 386 L CA 0.166 55.001 54.840 -0.007 0.000 0.831 386 L CB 0.270 42.328 42.059 -0.002 0.000 1.159 386 L HN 0.453 nan 8.230 nan 0.000 0.442 387 L N 3.820 125.040 121.223 -0.004 0.000 2.344 387 L HA 0.412 4.751 4.340 -0.000 0.000 0.272 387 L C 1.472 178.342 176.870 0.000 0.000 1.035 387 L CA -0.269 54.569 54.840 -0.004 0.000 0.807 387 L CB 1.720 43.777 42.059 -0.003 0.000 1.237 387 L HN 0.809 nan 8.230 nan 0.000 0.442 388 S N -1.359 114.341 115.700 -0.000 0.000 2.419 388 S HA -0.165 4.305 4.470 -0.000 0.000 0.233 388 S C 1.579 176.182 174.600 0.006 0.000 1.016 388 S CA 1.342 59.544 58.200 0.003 0.000 0.974 388 S CB -0.635 62.566 63.200 0.002 0.000 0.786 388 S HN 0.883 nan 8.310 nan 0.000 0.492 389 T N -0.923 113.634 114.554 0.005 0.000 2.995 389 T HA 0.010 4.360 4.350 -0.000 0.000 0.269 389 T C 1.270 175.976 174.700 0.010 0.000 1.091 389 T CA 0.920 63.024 62.100 0.007 0.000 1.128 389 T CB -0.421 68.451 68.868 0.005 0.000 0.891 389 T HN 0.258 nan 8.240 nan 0.000 0.492 390 D N 1.350 121.755 120.400 0.008 0.000 2.117 390 D HA 0.014 4.654 4.640 -0.000 0.000 0.198 390 D C 1.830 178.140 176.300 0.017 0.000 0.982 390 D CA 0.734 54.740 54.000 0.010 0.000 0.828 390 D CB -0.157 40.648 40.800 0.008 0.000 0.967 390 D HN 0.341 nan 8.370 nan 0.000 0.464 391 I N 0.961 121.542 120.570 0.017 0.000 2.439 391 I HA -0.057 4.112 4.170 -0.000 0.000 0.251 391 I C 2.505 178.637 176.117 0.025 0.000 1.139 391 I CA 0.778 62.090 61.300 0.021 0.000 1.438 391 I CB -0.756 37.252 38.000 0.013 0.000 1.085 391 I HN -0.042 nan 8.210 nan 0.000 0.427 392 G N -0.144 108.668 108.800 0.021 0.000 2.440 392 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.218 392 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.218 392 G C 1.823 176.744 174.900 0.035 0.000 1.154 392 G CA 1.237 46.351 45.100 0.023 0.000 0.767 392 G HN 0.504 nan 8.290 nan 0.000 0.552 393 S N 0.028 115.748 115.700 0.034 0.000 2.383 393 S HA -0.051 4.419 4.470 -0.000 0.000 0.227 393 S C 2.271 176.917 174.600 0.077 0.000 1.026 393 S CA 1.412 59.639 58.200 0.044 0.000 0.981 393 S CB -0.316 62.899 63.200 0.024 0.000 0.818 393 S HN 0.099 nan 8.310 nan 0.000 0.472 394 V N 2.277 122.236 119.914 0.074 0.000 2.453 394 V HA 0.027 4.147 4.120 -0.000 0.000 0.247 394 V C 3.132 179.313 176.094 0.145 0.000 1.048 394 V CA 1.427 63.800 62.300 0.121 0.000 1.049 394 V CB -1.350 30.525 31.823 0.086 0.000 0.672 394 V HN 0.661 nan 8.190 nan 0.000 0.457 395 A N -0.804 122.065 122.820 0.081 0.000 1.972 395 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 395 A C 2.528 180.143 177.584 0.053 0.000 1.169 395 A CA 2.061 54.129 52.037 0.053 0.000 0.635 395 A CB -0.602 18.414 19.000 0.028 0.000 0.810 395 A HN 0.466 nan 8.150 nan 0.000 0.446 396 S N -1.496 114.249 115.700 0.076 0.000 2.368 396 S HA -0.124 4.345 4.470 -0.000 0.000 0.224 396 S C 1.727 176.390 174.600 0.104 0.000 1.029 396 S CA 1.450 59.693 58.200 0.072 0.000 0.988 396 S CB -0.490 62.754 63.200 0.073 0.000 0.838 396 S HN 0.628 nan 8.310 nan 0.000 0.462 397 F N 2.167 122.118 119.950 0.000 0.000 2.102 397 F HA 0.053 4.580 4.527 -0.000 0.000 0.298 397 F C 1.737 177.537 175.800 0.001 0.000 1.105 397 F CA 1.409 59.410 58.000 0.002 0.000 1.239 397 F CB -0.558 38.444 39.000 0.003 0.000 0.991 397 F HN 0.182 nan 8.300 nan 0.000 0.474 398 L N -0.164 120.954 121.223 -0.174 0.000 2.141 398 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 398 L C 2.374 179.117 176.870 -0.211 0.000 1.094 398 L CA 0.923 55.594 54.840 -0.282 0.000 0.763 398 L CB -0.617 41.393 42.059 -0.082 0.000 0.908 398 L HN 0.227 nan 8.230 nan 0.000 0.437 399 L N -0.802 120.352 121.223 -0.117 0.000 2.395 399 L HA -0.017 4.323 4.340 -0.000 0.000 0.218 399 L C 1.531 178.346 176.870 -0.092 0.000 1.130 399 L CA -0.053 54.737 54.840 -0.083 0.000 0.826 399 L CB -0.235 41.801 42.059 -0.038 0.000 0.941 399 L HN 0.323 nan 8.230 nan 0.000 0.451 400 S N -1.188 114.440 115.700 -0.121 0.000 2.693 400 S HA 0.236 4.706 4.470 -0.000 0.000 0.276 400 S C 1.055 175.572 174.600 -0.138 0.000 1.192 400 S CA -0.789 57.354 58.200 -0.094 0.000 0.994 400 S CB 1.114 64.288 63.200 -0.044 0.000 1.012 400 S HN 0.084 nan 8.310 nan 0.000 0.550 401 R N 0.417 120.866 120.500 -0.084 0.000 2.316 401 R HA 0.027 4.367 4.340 -0.000 0.000 0.202 401 R C 1.171 177.418 176.300 -0.087 0.000 1.029 401 R CA 0.375 56.427 56.100 -0.079 0.000 1.018 401 R CB -0.265 30.011 30.300 -0.040 0.000 0.888 401 R HN 0.691 nan 8.270 nan 0.000 0.471 402 E N 0.388 120.532 120.200 -0.093 0.000 2.333 402 E HA -0.092 4.258 4.350 -0.000 0.000 0.198 402 E C 1.081 177.593 176.600 -0.147 0.000 1.007 402 E CA 1.088 57.478 56.400 -0.016 0.000 0.845 402 E CB 0.109 29.913 29.700 0.174 0.000 0.766 402 E HN 0.227 nan 8.360 nan 0.000 0.507 403 S N 0.293 115.735 115.700 -0.429 0.000 2.562 403 S HA 0.157 4.627 4.470 -0.000 0.000 0.246 403 S C 1.312 175.782 174.600 -0.217 0.000 1.056 403 S CA -0.658 57.259 58.200 -0.473 0.000 1.042 403 S CB 0.039 62.682 63.200 -0.927 0.000 0.822 403 S HN 0.224 nan 8.310 nan 0.000 0.465 404 R N 0.549 120.973 120.500 -0.127 0.000 2.211 404 R HA 0.005 4.345 4.340 -0.000 0.000 0.240 404 R C 1.448 177.718 176.300 -0.051 0.000 1.144 404 R CA 1.517 57.571 56.100 -0.077 0.000 0.992 404 R CB -0.599 29.674 30.300 -0.046 0.000 0.869 404 R HN 0.462 nan 8.270 nan 0.000 0.462 405 A N 1.036 123.834 122.820 -0.036 0.000 2.348 405 A HA 0.337 4.657 4.320 -0.000 0.000 0.224 405 A C 0.583 178.160 177.584 -0.010 0.000 1.227 405 A CA -0.393 51.636 52.037 -0.013 0.000 0.885 405 A CB 0.292 19.296 19.000 0.007 0.000 0.933 405 A HN 0.207 nan 8.150 nan 0.000 0.506 406 I N 0.161 120.713 120.570 -0.030 0.000 2.339 406 I HA 0.454 4.624 4.170 -0.000 0.000 0.290 406 I C -0.100 175.998 176.117 -0.031 0.000 0.994 406 I CA -0.216 61.074 61.300 -0.018 0.000 1.191 406 I CB 1.921 39.913 38.000 -0.012 0.000 1.343 406 I HN 0.032 nan 8.210 nan 0.000 0.458 407 T N 3.275 117.820 114.554 -0.015 0.000 2.942 407 T HA 0.514 4.864 4.350 -0.000 0.000 0.327 407 T C 0.332 175.027 174.700 -0.008 0.000 1.360 407 T CA 0.322 62.411 62.100 -0.018 0.000 1.055 407 T CB 1.459 70.315 68.868 -0.021 0.000 1.261 407 T HN 0.990 nan 8.240 nan 0.000 0.485 408 G N 2.654 111.449 108.800 -0.010 0.000 2.155 408 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.257 408 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.257 408 G C -0.029 174.872 174.900 0.002 0.000 0.983 408 G CA 0.410 45.508 45.100 -0.004 0.000 0.676 408 G HN 0.750 nan 8.290 nan 0.000 0.528 409 Q N -0.015 119.787 119.800 0.004 0.000 2.205 409 Q HA 0.616 4.956 4.340 -0.000 0.000 0.249 409 Q C -0.223 175.778 176.000 0.002 0.000 0.948 409 Q CA -0.140 55.672 55.803 0.015 0.000 0.895 409 Q CB 1.395 30.151 28.738 0.029 0.000 1.249 409 Q HN 0.158 nan 8.270 nan 0.000 0.458 410 T N 2.315 116.874 114.554 0.008 0.000 2.874 410 T HA 0.415 4.765 4.350 -0.000 0.000 0.321 410 T C 0.050 174.735 174.700 -0.025 0.000 1.075 410 T CA -0.456 61.615 62.100 -0.047 0.000 0.966 410 T CB 0.156 68.989 68.868 -0.058 0.000 1.001 410 T HN 0.240 nan 8.240 nan 0.000 0.476 411 I N 3.673 124.219 120.570 -0.039 0.000 2.342 411 I HA 0.284 4.454 4.170 -0.000 0.000 0.291 411 I C -0.128 175.967 176.117 -0.037 0.000 1.010 411 I CA -0.942 60.378 61.300 0.033 0.000 1.308 411 I CB 0.424 38.461 38.000 0.062 0.000 1.400 411 I HN 0.576 nan 8.210 nan 0.000 0.488 412 Y N 4.952 125.273 120.300 0.035 0.000 2.336 412 Y HA 0.308 4.858 4.550 -0.000 0.000 0.335 412 Y C 0.454 176.372 175.900 0.030 0.000 1.046 412 Y CA -0.197 57.922 58.100 0.032 0.000 1.198 412 Y CB 1.280 39.758 38.460 0.030 0.000 1.182 412 Y HN 0.234 nan 8.280 nan 0.000 0.502 413 V N 4.097 124.091 119.914 0.132 0.000 2.383 413 V HA 0.203 4.323 4.120 -0.000 0.000 0.264 413 V C -0.779 175.371 176.094 0.093 0.000 1.001 413 V CA -0.647 61.708 62.300 0.091 0.000 0.828 413 V CB 0.635 32.488 31.823 0.049 0.000 1.069 413 V HN 0.882 nan 8.190 nan 0.000 0.451 414 D N 1.326 121.798 120.400 0.119 0.000 2.822 414 D HA 0.087 4.727 4.640 -0.000 0.000 0.327 414 D C 0.456 176.802 176.300 0.078 0.000 1.577 414 D CA -0.522 53.542 54.000 0.106 0.000 0.785 414 D CB -0.249 40.652 40.800 0.169 0.000 1.199 414 D HN 0.226 nan 8.370 nan 0.000 0.443 415 N N 0.766 119.500 118.700 0.057 0.000 2.708 415 N HA -0.179 4.561 4.740 -0.000 0.000 0.251 415 N C 1.252 176.784 175.510 0.037 0.000 1.123 415 N CA 1.621 54.692 53.050 0.036 0.000 0.739 415 N CB -1.410 37.089 38.487 0.021 0.000 1.113 415 N HN 0.808 nan 8.380 nan 0.000 0.561 416 G N -0.427 108.402 108.800 0.049 0.000 2.179 416 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 0.881 175.798 174.900 0.028 0.000 0.977 416 G CA 0.484 45.601 45.100 0.028 0.000 0.641 416 G HN 0.422 nan 8.290 nan 0.000 0.533 417 L N 1.168 122.426 121.223 0.059 0.000 2.021 417 L HA -0.264 4.076 4.340 -0.000 0.000 0.215 417 L C 2.904 179.811 176.870 0.062 0.000 1.074 417 L CA 3.286 58.178 54.840 0.086 0.000 0.760 417 L CB -0.636 41.498 42.059 0.126 0.000 0.889 417 L HN 0.747 nan 8.230 nan 0.000 0.433 418 N N 0.831 119.535 118.700 0.005 0.000 2.334 418 N HA -0.262 4.478 4.740 -0.000 0.000 0.187 418 N C 1.641 177.087 175.510 -0.107 0.000 1.016 418 N CA 1.889 54.882 53.050 -0.094 0.000 0.879 418 N CB -0.832 37.418 38.487 -0.395 0.000 0.965 418 N HN 0.688 nan 8.380 nan 0.000 0.438 419 I N -3.855 116.668 120.570 -0.077 0.000 3.428 419 I HA 0.138 4.308 4.170 -0.000 0.000 0.286 419 I C 0.215 176.341 176.117 0.015 0.000 1.287 419 I CA -0.062 61.207 61.300 -0.052 0.000 1.396 419 I CB -0.163 37.810 38.000 -0.044 0.000 1.062 419 I HN -0.015 nan 8.210 nan 0.000 0.471 420 M N 0.319 119.953 119.600 0.056 0.000 2.247 420 M HA 0.203 4.683 4.480 -0.000 0.000 0.326 420 M C 0.240 176.655 176.300 0.191 0.000 1.134 420 M CA -0.092 55.272 55.300 0.106 0.000 1.136 420 M CB 1.119 33.781 32.600 0.103 0.000 1.454 420 M HN 0.182 nan 8.290 nan 0.000 0.467 421 F N 1.446 121.396 119.950 -0.000 0.000 2.423 421 F HA 0.434 4.961 4.527 -0.000 0.000 0.269 421 F C -0.302 175.495 175.800 -0.006 0.000 0.880 421 F CA 0.140 58.138 58.000 -0.002 0.000 1.134 421 F CB 0.276 39.271 39.000 -0.008 0.000 1.143 421 F HN 0.342 nan 8.300 nan 0.000 0.802 422 L N 3.676 124.791 121.223 -0.179 0.000 2.295 422 L HA 0.400 4.740 4.340 -0.000 0.000 0.285 422 L C -2.117 174.636 176.870 -0.195 0.000 1.035 422 L CA -1.961 52.685 54.840 -0.323 0.000 0.806 422 L CB 1.036 42.901 42.059 -0.323 0.000 1.214 422 L HN 0.082 nan 8.230 nan 0.000 0.426 423 P HA 0.099 nan 4.420 nan 0.000 0.272 423 P C -0.322 176.828 177.300 -0.249 0.000 1.223 423 P CA -0.427 62.378 63.100 -0.491 0.000 0.784 423 P CB 1.334 32.439 31.700 -0.993 0.000 0.923 424 D N 0.570 120.925 120.400 -0.075 0.000 2.143 424 D HA -0.149 4.491 4.640 -0.000 0.000 0.230 424 D C 0.574 176.893 176.300 0.030 0.000 1.058 424 D CA 1.461 55.486 54.000 0.042 0.000 0.947 424 D CB -0.453 40.430 40.800 0.138 0.000 1.269 424 D HN 0.552 nan 8.370 nan 0.000 0.498 425 D N 0.000 120.465 120.400 0.107 0.000 6.856 425 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 425 D CA 0.000 54.044 54.000 0.073 0.000 0.868 425 D CB 0.000 40.851 40.800 0.085 0.000 0.688 425 D HN 0.000 nan 8.370 nan 0.000 0.683