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 1y0k_1_A DATA FIRST_RESID 2 DATA SEQUENCE NEADYLRLLT RQAEQANDFL SNARKWDRER WVCQRFLEAL NVPYRQEDFA DATA SEQUENCE APGEQPPDVL FKGAGFEVFF VLDEXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXRPQRIAA AELQARLAPT LRKKAHNYSE RGIDHGELDL LAFVNLKRAV DATA SEQUENCE PDFNTPFPPP TEYLRQGWRS LSXVGPTFAR VLFAHSGAPE FLRANLGRSI DATA SEQUENCE LFDAGVGL 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.557 175.510 0.078 0.000 1.280 2 N CA 0.000 53.075 53.050 0.042 0.000 0.885 2 N CB 0.000 38.510 38.487 0.038 0.000 1.341 3 E N 1.019 121.263 120.200 0.073 0.000 2.077 3 E HA -0.163 4.188 4.350 0.001 0.000 0.193 3 E C 1.712 178.389 176.600 0.128 0.000 0.989 3 E CA 1.773 58.242 56.400 0.115 0.000 0.800 3 E CB -0.129 29.619 29.700 0.081 0.000 0.746 3 E HN 0.626 nan 8.360 nan 0.000 0.452 4 A N 1.376 124.245 122.820 0.082 0.000 1.883 4 A HA -0.218 4.102 4.320 0.001 0.000 0.217 4 A C 1.859 179.485 177.584 0.069 0.000 1.186 4 A CA 1.945 54.019 52.037 0.062 0.000 0.624 4 A CB -0.514 18.512 19.000 0.042 0.000 0.822 4 A HN 0.266 nan 8.150 nan 0.000 0.444 5 D N -2.125 118.325 120.400 0.084 0.000 2.183 5 D HA -0.094 4.546 4.640 0.001 0.000 0.203 5 D C 1.620 177.994 176.300 0.124 0.000 0.969 5 D CA 1.071 55.121 54.000 0.084 0.000 0.842 5 D CB -0.319 40.528 40.800 0.078 0.000 0.957 5 D HN 0.564 nan 8.370 nan 0.000 0.484 6 Y N 1.357 121.674 120.300 0.028 0.000 2.200 6 Y HA -0.089 4.462 4.550 0.001 0.000 0.290 6 Y C 2.142 178.067 175.900 0.042 0.000 1.137 6 Y CA 1.110 59.232 58.100 0.036 0.000 1.163 6 Y CB -0.423 38.060 38.460 0.038 0.000 0.988 6 Y HN -0.102 nan 8.280 nan 0.000 0.518 7 L N -0.455 120.766 121.223 -0.003 0.000 2.083 7 L HA -0.230 4.110 4.340 0.001 0.000 0.209 7 L C 2.600 179.423 176.870 -0.078 0.000 1.083 7 L CA 1.368 56.163 54.840 -0.076 0.000 0.752 7 L CB -0.468 41.595 42.059 0.007 0.000 0.899 7 L HN 0.121 nan 8.230 nan 0.000 0.433 8 R N -0.135 120.347 120.500 -0.031 0.000 2.081 8 R HA -0.190 4.150 4.340 0.001 0.000 0.235 8 R C 2.327 178.602 176.300 -0.041 0.000 1.131 8 R CA 1.388 57.476 56.100 -0.021 0.000 0.960 8 R CB -0.472 29.832 30.300 0.006 0.000 0.856 8 R HN 0.320 nan 8.270 nan 0.000 0.436 9 L N 1.057 122.243 121.223 -0.062 0.000 2.012 9 L HA -0.218 4.122 4.340 0.001 0.000 0.210 9 L C 2.094 178.897 176.870 -0.111 0.000 1.073 9 L CA 1.513 56.310 54.840 -0.071 0.000 0.748 9 L CB -0.185 41.835 42.059 -0.065 0.000 0.891 9 L HN 0.233 nan 8.230 nan 0.000 0.431 10 L N -0.926 120.168 121.223 -0.214 0.000 2.131 10 L HA -0.195 4.146 4.340 0.001 0.000 0.210 10 L C 2.458 179.294 176.870 -0.058 0.000 1.092 10 L CA 1.561 56.305 54.840 -0.159 0.000 0.759 10 L CB -0.943 40.978 42.059 -0.231 0.000 0.903 10 L HN 0.315 nan 8.230 nan 0.000 0.435 11 T N -0.719 113.805 114.554 -0.051 0.000 2.777 11 T HA -0.143 4.207 4.350 0.001 0.000 0.266 11 T C 2.039 176.740 174.700 0.001 0.000 1.040 11 T CA 1.067 63.159 62.100 -0.015 0.000 1.141 11 T CB -0.156 68.705 68.868 -0.013 0.000 0.868 11 T HN 0.295 nan 8.240 nan 0.000 0.444 12 R N 0.865 121.363 120.500 -0.004 0.000 2.081 12 R HA -0.104 4.236 4.340 0.001 0.000 0.235 12 R C 2.696 179.009 176.300 0.021 0.000 1.131 12 R CA 1.354 57.459 56.100 0.008 0.000 0.960 12 R CB -0.330 29.974 30.300 0.006 0.000 0.856 12 R HN 0.503 nan 8.270 nan 0.000 0.436 13 Q N 0.663 120.474 119.800 0.019 0.000 2.061 13 Q HA -0.198 4.142 4.340 0.001 0.000 0.204 13 Q C 2.054 178.098 176.000 0.073 0.000 0.984 13 Q CA 1.976 57.804 55.803 0.042 0.000 0.846 13 Q CB -0.132 28.626 28.738 0.034 0.000 0.902 13 Q HN 0.375 nan 8.270 nan 0.000 0.421 14 A N 0.689 123.548 122.820 0.066 0.000 1.902 14 A HA -0.246 4.074 4.320 0.001 0.000 0.217 14 A C 1.816 179.454 177.584 0.090 0.000 1.181 14 A CA 1.750 53.842 52.037 0.091 0.000 0.623 14 A CB -0.640 18.399 19.000 0.065 0.000 0.818 14 A HN 0.581 nan 8.150 nan 0.000 0.443 15 E N -0.532 119.702 120.200 0.057 0.000 2.085 15 E HA -0.263 4.088 4.350 0.001 0.000 0.194 15 E C 2.308 178.937 176.600 0.049 0.000 0.994 15 E CA 1.526 57.953 56.400 0.044 0.000 0.801 15 E CB -0.208 29.508 29.700 0.026 0.000 0.743 15 E HN 0.741 nan 8.360 nan 0.000 0.453 16 Q N 0.066 119.899 119.800 0.056 0.000 2.084 16 Q HA -0.176 4.165 4.340 0.001 0.000 0.202 16 Q C 2.226 178.276 176.000 0.084 0.000 0.978 16 Q CA 1.440 57.278 55.803 0.057 0.000 0.844 16 Q CB -0.173 28.596 28.738 0.052 0.000 0.898 16 Q HN 0.260 nan 8.270 nan 0.000 0.426 17 A N 1.248 124.148 122.820 0.134 0.000 1.902 17 A HA -0.229 4.091 4.320 0.001 0.000 0.217 17 A C 1.770 179.428 177.584 0.123 0.000 1.181 17 A CA 1.668 53.822 52.037 0.195 0.000 0.623 17 A CB -0.545 18.691 19.000 0.393 0.000 0.818 17 A HN 0.298 nan 8.150 nan 0.000 0.443 18 N N 0.621 119.383 118.700 0.103 0.000 2.120 18 N HA -0.128 4.612 4.740 0.001 0.000 0.188 18 N C 1.188 176.669 175.510 -0.048 0.000 1.024 18 N CA 1.559 54.624 53.050 0.026 0.000 0.852 18 N CB -0.488 38.020 38.487 0.035 0.000 1.003 18 N HN 0.441 nan 8.380 nan 0.000 0.424 19 D N 0.056 120.445 120.400 -0.018 0.000 2.123 19 D HA -0.146 4.494 4.640 0.001 0.000 0.196 19 D C 1.740 177.988 176.300 -0.087 0.000 0.992 19 D CA 0.557 54.530 54.000 -0.045 0.000 0.833 19 D CB -0.463 40.331 40.800 -0.011 0.000 0.954 19 D HN 0.239 nan 8.370 nan 0.000 0.455 20 F N 1.371 121.194 119.950 -0.212 0.000 2.102 20 F HA -0.123 4.405 4.527 0.000 0.000 0.298 20 F C 2.103 177.653 175.800 -0.418 0.000 1.105 20 F CA 1.185 58.988 58.000 -0.329 0.000 1.239 20 F CB -0.388 38.347 39.000 -0.443 0.000 0.991 20 F HN -0.121 nan 8.300 nan 0.000 0.474 21 L N 0.233 121.087 121.223 -0.614 0.000 2.083 21 L HA -0.203 4.137 4.340 0.001 0.000 0.209 21 L C 2.723 179.225 176.870 -0.613 0.000 1.083 21 L CA 1.475 55.858 54.840 -0.761 0.000 0.752 21 L CB -1.098 40.649 42.059 -0.521 0.000 0.899 21 L HN 0.357 nan 8.230 nan 0.000 0.433 22 S N -0.919 114.536 115.700 -0.409 0.000 2.474 22 S HA -0.134 4.337 4.470 0.001 0.000 0.235 22 S C 1.339 175.755 174.600 -0.307 0.000 0.997 22 S CA 1.386 59.403 58.200 -0.305 0.000 0.949 22 S CB -0.489 62.593 63.200 -0.196 0.000 0.766 22 S HN 0.543 nan 8.310 nan 0.000 0.517 23 N N 0.862 119.333 118.700 -0.382 0.000 2.220 23 N HA 0.436 5.176 4.740 0.001 0.000 0.195 23 N C 0.227 175.497 175.510 -0.401 0.000 1.123 23 N CA 0.256 53.111 53.050 -0.325 0.000 0.874 23 N CB 0.484 38.824 38.487 -0.246 0.000 0.995 23 N HN 0.464 nan 8.380 nan 0.000 0.498 24 A N 1.193 123.638 122.820 -0.625 0.000 2.332 24 A HA 0.389 4.709 4.320 0.001 0.000 0.258 24 A C 0.301 177.664 177.584 -0.369 0.000 1.087 24 A CA -0.323 51.335 52.037 -0.631 0.000 0.802 24 A CB 0.480 18.822 19.000 -1.096 0.000 1.042 24 A HN 0.193 nan 8.150 nan 0.000 0.489 25 R N 0.327 120.687 120.500 -0.233 0.000 2.615 25 R HA 0.156 4.496 4.340 0.001 0.000 0.270 25 R C 1.252 177.497 176.300 -0.091 0.000 1.081 25 R CA -0.207 55.822 56.100 -0.119 0.000 1.154 25 R CB 0.673 30.952 30.300 -0.035 0.000 1.063 25 R HN 0.903 nan 8.270 nan 0.000 0.519 26 K N 1.290 121.675 120.400 -0.025 0.000 1.991 26 K HA -0.215 4.105 4.320 0.001 0.000 0.212 26 K C 1.697 178.354 176.600 0.095 0.000 1.049 26 K CA 1.788 58.085 56.287 0.016 0.000 0.932 26 K CB -0.126 32.408 32.500 0.057 0.000 0.717 26 K HN 0.608 nan 8.250 nan 0.000 0.441 27 W N 2.032 123.336 121.300 0.006 0.000 2.388 27 W HA -0.151 4.510 4.660 0.001 0.000 0.294 27 W C 1.733 178.269 176.519 0.030 0.000 1.212 27 W CA 2.014 59.379 57.345 0.034 0.000 1.271 27 W CB -0.441 29.041 29.460 0.038 0.000 1.126 27 W HN 0.338 nan 8.180 nan 0.000 0.535 28 D N -0.414 120.054 120.400 0.113 0.000 2.123 28 D HA -0.262 4.379 4.640 0.001 0.000 0.196 28 D C 2.229 178.482 176.300 -0.079 0.000 0.992 28 D CA 1.843 55.839 54.000 -0.006 0.000 0.833 28 D CB -0.204 40.631 40.800 0.057 0.000 0.954 28 D HN 0.052 nan 8.370 nan 0.000 0.455 29 R N 0.048 120.492 120.500 -0.094 0.000 2.083 29 R HA -0.161 4.179 4.340 0.001 0.000 0.237 29 R C 2.180 178.528 176.300 0.079 0.000 1.137 29 R CA 1.806 57.869 56.100 -0.062 0.000 0.951 29 R CB -0.072 30.118 30.300 -0.184 0.000 0.851 29 R HN 0.277 nan 8.270 nan 0.000 0.434 30 E N -0.508 119.656 120.200 -0.061 0.000 2.072 30 E HA -0.186 4.164 4.350 0.001 0.000 0.191 30 E C 2.127 178.491 176.600 -0.394 0.000 0.985 30 E CA 0.934 57.236 56.400 -0.165 0.000 0.801 30 E CB -0.096 29.489 29.700 -0.191 0.000 0.750 30 E HN 0.226 nan 8.360 nan 0.000 0.452 31 R N 0.020 120.108 120.500 -0.686 0.000 2.081 31 R HA -0.176 4.165 4.340 0.001 0.000 0.235 31 R C 2.041 177.993 176.300 -0.580 0.000 1.131 31 R CA 1.514 57.106 56.100 -0.846 0.000 0.960 31 R CB -0.313 29.295 30.300 -1.154 0.000 0.856 31 R HN 0.319 nan 8.270 nan 0.000 0.436 32 W N 0.691 121.705 121.300 -0.477 0.000 2.338 32 W HA -0.227 4.434 4.660 0.001 0.000 0.304 32 W C 1.743 178.041 176.519 -0.367 0.000 1.212 32 W CA 1.462 58.597 57.345 -0.350 0.000 1.264 32 W CB -0.323 29.067 29.460 -0.118 0.000 1.142 32 W HN -0.163 nan 8.180 nan 0.000 0.512 33 V N 0.533 120.390 119.914 -0.094 0.000 2.287 33 V HA -0.407 3.714 4.120 0.001 0.000 0.248 33 V C 2.390 178.202 176.094 -0.471 0.000 1.053 33 V CA 2.053 64.165 62.300 -0.314 0.000 1.027 33 V CB -1.402 30.273 31.823 -0.246 0.000 0.646 33 V HN 0.410 nan 8.190 nan 0.000 0.447 34 C N -0.668 118.320 119.300 -0.520 0.000 2.413 34 C HA -0.213 4.247 4.460 0.001 0.000 0.276 34 C C 2.838 177.490 174.990 -0.563 0.000 1.236 34 C CA 1.098 59.771 59.018 -0.576 0.000 1.735 34 C CB -1.157 26.286 27.740 -0.496 0.000 2.031 34 C HN 0.603 nan 8.230 nan 0.000 0.474 35 Q N 0.104 119.461 119.800 -0.738 0.000 2.084 35 Q HA -0.158 4.182 4.340 0.001 0.000 0.202 35 Q C 2.550 178.231 176.000 -0.533 0.000 0.978 35 Q CA 1.217 56.563 55.803 -0.761 0.000 0.844 35 Q CB -0.201 28.092 28.738 -0.742 0.000 0.898 35 Q HN 0.581 nan 8.270 nan 0.000 0.426 36 R N 0.057 120.179 120.500 -0.629 0.000 2.081 36 R HA -0.134 4.207 4.340 0.001 0.000 0.235 36 R C 2.023 178.174 176.300 -0.248 0.000 1.131 36 R CA 1.040 56.819 56.100 -0.535 0.000 0.960 36 R CB -0.929 28.904 30.300 -0.779 0.000 0.856 36 R HN 0.288 nan 8.270 nan 0.000 0.436 37 F N 1.558 121.274 119.950 -0.390 0.000 2.102 37 F HA -0.095 4.433 4.527 0.001 0.000 0.298 37 F C 2.087 177.767 175.800 -0.198 0.000 1.105 37 F CA 1.206 59.038 58.000 -0.278 0.000 1.239 37 F CB -0.436 38.332 39.000 -0.387 0.000 0.991 37 F HN -0.128 nan 8.300 nan 0.000 0.474 38 L N 0.018 121.018 121.223 -0.372 0.000 2.046 38 L HA -0.204 4.137 4.340 0.001 0.000 0.208 38 L C 2.377 179.124 176.870 -0.205 0.000 1.077 38 L CA 1.685 56.282 54.840 -0.405 0.000 0.747 38 L CB -0.828 40.960 42.059 -0.452 0.000 0.896 38 L HN 0.173 nan 8.230 nan 0.000 0.432 39 E N 0.248 120.381 120.200 -0.112 0.000 2.077 39 E HA -0.229 4.122 4.350 0.001 0.000 0.193 39 E C 2.325 178.905 176.600 -0.033 0.000 0.989 39 E CA 1.153 57.525 56.400 -0.047 0.000 0.800 39 E CB -0.200 29.454 29.700 -0.076 0.000 0.746 39 E HN 0.506 nan 8.360 nan 0.000 0.452 40 A N 1.058 123.877 122.820 -0.002 0.000 1.940 40 A HA -0.145 4.175 4.320 0.001 0.000 0.219 40 A C 2.028 179.593 177.584 -0.031 0.000 1.176 40 A CA 1.103 53.239 52.037 0.164 0.000 0.631 40 A CB -0.416 18.748 19.000 0.273 0.000 0.814 40 A HN 0.162 nan 8.150 nan 0.000 0.446 41 L N -1.336 119.780 121.223 -0.177 0.000 2.592 41 L HA 0.082 4.422 4.340 0.001 0.000 0.227 41 L C 0.023 176.836 176.870 -0.095 0.000 1.127 41 L CA -0.092 54.644 54.840 -0.173 0.000 0.884 41 L CB -0.444 41.441 42.059 -0.290 0.000 1.065 41 L HN 0.341 nan 8.230 nan 0.000 0.457 42 N N 0.119 118.775 118.700 -0.072 0.000 2.735 42 N HA -0.146 4.594 4.740 0.001 0.000 0.248 42 N C -0.576 174.906 175.510 -0.047 0.000 1.083 42 N CA 0.432 53.454 53.050 -0.046 0.000 0.703 42 N CB -1.506 36.964 38.487 -0.028 0.000 1.005 42 N HN 0.017 nan 8.380 nan 0.000 0.550 43 V N 1.642 121.511 119.914 -0.074 0.000 2.364 43 V HA 0.320 4.441 4.120 0.001 0.000 0.272 43 V C -1.616 174.482 176.094 0.006 0.000 1.036 43 V CA -1.287 60.968 62.300 -0.075 0.000 0.880 43 V CB 1.489 33.160 31.823 -0.253 0.000 0.991 43 V HN 0.038 nan 8.190 nan 0.000 0.460 44 P HA 0.224 nan 4.420 nan 0.000 0.269 44 P C -1.324 176.064 177.300 0.146 0.000 1.209 44 P CA 0.213 63.311 63.100 -0.004 0.000 0.776 44 P CB 0.384 32.071 31.700 -0.023 0.000 0.876 45 Y N -0.935 119.381 120.300 0.026 0.000 2.609 45 Y HA 0.676 5.226 4.550 0.001 0.000 0.336 45 Y C -0.630 175.308 175.900 0.063 0.000 1.129 45 Y CA -1.428 56.719 58.100 0.079 0.000 1.040 45 Y CB 1.289 39.747 38.460 -0.003 0.000 1.310 45 Y HN 0.192 nan 8.280 nan 0.000 0.460 46 R N 0.974 121.613 120.500 0.232 0.000 2.787 46 R HA 0.279 4.620 4.340 0.001 0.000 0.271 46 R C 0.362 176.870 176.300 0.347 0.000 0.993 46 R CA -1.193 55.018 56.100 0.185 0.000 0.993 46 R CB 1.770 32.126 30.300 0.093 0.000 1.155 46 R HN 0.838 nan 8.270 nan 0.000 0.486 47 Q N 1.595 121.603 119.800 0.347 0.000 2.135 47 Q HA -0.195 4.145 4.340 0.001 0.000 0.204 47 Q C 1.543 177.785 176.000 0.403 0.000 0.981 47 Q CA 1.901 57.974 55.803 0.450 0.000 0.856 47 Q CB 0.138 29.060 28.738 0.306 0.000 0.902 47 Q HN 0.603 nan 8.270 nan 0.000 0.425 48 E N -0.427 119.917 120.200 0.240 0.000 2.338 48 E HA -0.193 4.158 4.350 0.001 0.000 0.197 48 E C 0.550 177.235 176.600 0.140 0.000 1.007 48 E CA 1.149 57.656 56.400 0.179 0.000 0.849 48 E CB -0.177 29.588 29.700 0.109 0.000 0.774 48 E HN 0.424 nan 8.360 nan 0.000 0.506 49 D N 0.512 120.956 120.400 0.073 0.000 2.310 49 D HA -0.018 4.622 4.640 0.001 0.000 0.212 49 D C -0.017 176.246 176.300 -0.062 0.000 0.965 49 D CA 0.529 54.488 54.000 -0.068 0.000 0.879 49 D CB -0.217 40.523 40.800 -0.100 0.000 0.921 49 D HN 0.182 nan 8.370 nan 0.000 0.510 50 F N 0.454 120.618 119.950 0.356 0.000 2.394 50 F HA 0.533 5.061 4.527 0.001 0.000 0.340 50 F C 0.662 176.714 175.800 0.421 0.000 1.105 50 F CA -0.802 57.443 58.000 0.408 0.000 1.124 50 F CB 1.324 40.532 39.000 0.346 0.000 1.145 50 F HN -0.255 nan 8.300 nan 0.000 0.505 51 A N 1.619 124.793 122.820 0.590 0.000 2.556 51 A HA 0.878 5.198 4.320 0.001 0.000 0.294 51 A C -1.344 176.468 177.584 0.380 0.000 1.091 51 A CA -0.803 51.443 52.037 0.347 0.000 0.704 51 A CB 1.079 20.183 19.000 0.174 0.000 1.300 51 A HN 0.924 nan 8.150 nan 0.000 0.406 52 A N 2.110 124.937 122.820 0.011 0.000 2.310 52 A HA 0.809 5.129 4.320 0.001 0.000 0.299 52 A C -2.136 175.468 177.584 0.033 0.000 1.147 52 A CA -1.404 50.638 52.037 0.009 0.000 0.818 52 A CB -0.164 18.559 19.000 -0.462 0.000 1.096 52 A HN 0.659 nan 8.150 nan 0.000 0.495 53 P HA 0.242 nan 4.420 nan 0.000 0.276 53 P C 1.034 178.343 177.300 0.015 0.000 1.261 53 P CA 0.109 63.241 63.100 0.053 0.000 0.800 53 P CB 0.789 32.532 31.700 0.072 0.000 1.066 54 G N 0.210 109.014 108.800 0.006 0.000 2.421 54 G HA2 -0.092 3.868 3.960 0.001 0.000 0.216 54 G HA3 -0.092 3.868 3.960 0.001 0.000 0.216 54 G C 0.394 175.295 174.900 0.000 0.000 1.171 54 G CA 0.607 45.704 45.100 -0.005 0.000 0.775 54 G HN 0.525 nan 8.290 nan 0.000 0.543 55 E N 0.165 120.368 120.200 0.005 0.000 2.222 55 E HA 0.361 4.712 4.350 0.001 0.000 0.267 55 E C -0.785 175.822 176.600 0.010 0.000 0.884 55 E CA -0.362 56.040 56.400 0.003 0.000 0.764 55 E CB 1.917 31.609 29.700 -0.012 0.000 1.169 55 E HN 0.309 nan 8.360 nan 0.000 0.413 56 Q N 2.575 122.389 119.800 0.023 0.000 2.259 56 Q HA 0.342 4.682 4.340 0.001 0.000 0.249 56 Q C -1.957 174.021 176.000 -0.037 0.000 0.914 56 Q CA -1.636 54.185 55.803 0.031 0.000 0.904 56 Q CB 0.876 29.665 28.738 0.085 0.000 1.213 56 Q HN 0.240 nan 8.270 nan 0.000 0.428 57 P HA 0.273 nan 4.420 nan 0.000 0.278 57 P C -2.599 174.669 177.300 -0.053 0.000 1.258 57 P CA -1.324 61.723 63.100 -0.089 0.000 0.811 57 P CB 0.533 32.066 31.700 -0.278 0.000 1.063 58 P HA 0.219 nan 4.420 nan 0.000 0.338 58 P C -0.071 177.322 177.300 0.155 0.000 1.308 58 P CA 0.085 63.238 63.100 0.089 0.000 0.753 58 P CB 1.104 32.869 31.700 0.108 0.000 1.579 59 D N -1.673 118.854 120.400 0.213 0.000 2.525 59 D HA 0.131 4.771 4.640 0.001 0.000 0.248 59 D C -0.028 176.537 176.300 0.442 0.000 1.000 59 D CA 0.947 55.121 54.000 0.290 0.000 0.923 59 D CB 0.421 41.349 40.800 0.212 0.000 1.101 59 D HN 0.002 nan 8.370 nan 0.000 0.493 60 V N 2.328 122.472 119.914 0.383 0.000 2.525 60 V HA 0.304 4.424 4.120 0.001 0.000 0.299 60 V C -0.341 176.028 176.094 0.459 0.000 1.034 60 V CA -0.701 61.889 62.300 0.484 0.000 0.863 60 V CB 2.425 34.425 31.823 0.296 0.000 0.999 60 V HN -0.020 nan 8.190 nan 0.000 0.423 61 L N 5.145 126.630 121.223 0.436 0.000 2.292 61 L HA 0.620 4.960 4.340 0.001 0.000 0.284 61 L C -0.808 176.307 176.870 0.408 0.000 1.065 61 L CA -0.203 54.824 54.840 0.312 0.000 0.806 61 L CB 1.010 43.189 42.059 0.201 0.000 1.175 61 L HN 0.652 nan 8.230 nan 0.000 0.431 62 F N 3.478 123.506 119.950 0.129 0.000 2.730 62 F HA 0.293 4.821 4.527 0.001 0.000 0.335 62 F C -0.087 175.742 175.800 0.048 0.000 1.212 62 F CA -1.070 56.967 58.000 0.062 0.000 1.016 62 F CB 0.829 39.932 39.000 0.172 0.000 1.290 62 F HN 0.465 nan 8.300 nan 0.000 0.495 63 K N 5.009 125.055 120.400 -0.590 0.000 3.356 63 K HA -0.200 4.121 4.320 0.001 0.000 0.270 63 K C 1.004 177.510 176.600 -0.156 0.000 0.901 63 K CA 1.043 57.041 56.287 -0.481 0.000 0.688 63 K CB -1.542 30.466 32.500 -0.820 0.000 1.460 63 K HN 1.441 nan 8.250 nan 0.000 0.458 64 G N -1.342 107.402 108.800 -0.093 0.000 2.268 64 G HA2 -0.331 3.629 3.960 0.001 0.000 0.240 64 G HA3 -0.331 3.629 3.960 0.001 0.000 0.240 64 G C 0.284 175.146 174.900 -0.065 0.000 1.010 64 G CA 0.158 45.226 45.100 -0.054 0.000 0.618 64 G HN 0.944 nan 8.290 nan 0.000 0.516 65 A N 0.526 123.304 122.820 -0.070 0.000 2.388 65 A HA 0.669 4.989 4.320 0.001 0.000 0.257 65 A C 0.859 178.306 177.584 -0.229 0.000 1.095 65 A CA 0.908 52.787 52.037 -0.262 0.000 0.791 65 A CB 0.819 19.488 19.000 -0.553 0.000 1.029 65 A HN 1.829 nan 8.150 nan 0.000 0.489 66 G N 1.441 110.102 108.800 -0.231 0.000 3.205 66 G HA2 0.514 4.475 3.960 0.001 0.000 0.343 66 G HA3 0.514 4.475 3.960 0.001 0.000 0.343 66 G C -0.766 174.120 174.900 -0.024 0.000 1.305 66 G CA -0.321 44.742 45.100 -0.062 0.000 1.120 66 G HN 0.404 nan 8.290 nan 0.000 0.472 67 F N 1.141 121.175 119.950 0.139 0.000 2.471 67 F HA 0.293 4.820 4.527 0.001 0.000 0.365 67 F C 0.784 176.611 175.800 0.044 0.000 1.095 67 F CA -0.975 57.069 58.000 0.073 0.000 1.174 67 F CB 1.632 40.675 39.000 0.072 0.000 1.105 67 F HN 0.391 nan 8.300 nan 0.000 0.535 68 E N 3.568 123.895 120.200 0.212 0.000 2.055 68 E HA 0.425 4.776 4.350 0.001 0.000 0.274 68 E C -1.433 175.231 176.600 0.107 0.000 0.949 68 E CA -0.341 56.139 56.400 0.133 0.000 0.775 68 E CB 0.641 30.385 29.700 0.072 0.000 1.097 68 E HN 0.333 nan 8.360 nan 0.000 0.404 69 V N 6.849 126.807 119.914 0.073 0.000 2.439 69 V HA 0.521 4.641 4.120 0.001 0.000 0.282 69 V C -0.223 175.871 176.094 0.001 0.000 1.039 69 V CA -0.452 61.798 62.300 -0.084 0.000 0.913 69 V CB 0.008 31.715 31.823 -0.192 0.000 0.983 69 V HN 0.609 nan 8.190 nan 0.000 0.460 70 F N 2.814 122.550 119.950 -0.356 0.000 2.629 70 F HA 0.861 5.388 4.527 -0.000 0.000 0.316 70 F C -1.503 174.051 175.800 -0.410 0.000 1.081 70 F CA -1.474 56.378 58.000 -0.246 0.000 0.954 70 F CB 1.599 40.528 39.000 -0.119 0.000 1.337 70 F HN 0.246 nan 8.300 nan 0.000 0.474 71 F N 1.488 121.490 119.950 0.088 0.000 2.458 71 F HA 0.640 5.167 4.527 0.000 0.000 0.336 71 F C -0.520 175.330 175.800 0.084 0.000 1.114 71 F CA -1.225 56.805 58.000 0.050 0.000 0.987 71 F CB 2.157 41.213 39.000 0.093 0.000 1.130 71 F HN 0.327 nan 8.300 nan 0.000 0.458 72 V N 5.733 125.741 119.914 0.156 0.000 2.284 72 V HA 0.438 4.558 4.120 0.001 0.000 0.274 72 V C -0.143 176.031 176.094 0.133 0.000 1.023 72 V CA -0.417 61.961 62.300 0.128 0.000 0.808 72 V CB 0.457 32.303 31.823 0.039 0.000 1.035 72 V HN 0.604 nan 8.190 nan 0.000 0.445 73 L N 3.158 124.472 121.223 0.151 0.000 2.235 73 L HA 0.746 5.086 4.340 0.001 0.000 0.260 73 L C 0.348 177.269 176.870 0.086 0.000 1.025 73 L CA -0.716 54.199 54.840 0.125 0.000 0.836 73 L CB 1.953 44.093 42.059 0.135 0.000 1.395 73 L HN 0.592 nan 8.230 nan 0.000 0.443 74 D N -2.144 118.296 120.400 0.067 0.000 2.538 74 D HA 0.185 4.826 4.640 0.001 0.000 0.241 74 D C -0.063 176.259 176.300 0.036 0.000 1.297 74 D CA -0.052 53.977 54.000 0.048 0.000 0.804 74 D CB 0.977 41.801 40.800 0.040 0.000 1.122 74 D HN 0.618 nan 8.370 nan 0.000 0.519 106 P HA 0.045 nan 4.420 nan 0.000 0.275 106 P C -1.123 176.170 177.300 -0.011 0.000 1.228 106 P CA -0.370 62.724 63.100 -0.009 0.000 0.786 106 P CB 1.164 32.856 31.700 -0.014 0.000 0.927 107 Q N 1.538 121.327 119.800 -0.019 0.000 2.306 107 Q HA 0.310 4.650 4.340 0.001 0.000 0.265 107 Q C -0.461 175.512 176.000 -0.046 0.000 1.022 107 Q CA -0.844 54.943 55.803 -0.026 0.000 0.853 107 Q CB 1.405 30.128 28.738 -0.025 0.000 1.327 107 Q HN 0.335 nan 8.270 nan 0.000 0.449 108 R N 3.192 123.659 120.500 -0.054 0.000 2.298 108 R HA 0.356 4.696 4.340 0.001 0.000 0.310 108 R C -0.340 175.892 176.300 -0.113 0.000 1.068 108 R CA -0.205 55.839 56.100 -0.093 0.000 0.957 108 R CB 0.591 30.841 30.300 -0.084 0.000 1.003 108 R HN 0.619 nan 8.270 nan 0.000 0.454 109 I N 1.883 122.359 120.570 -0.157 0.000 2.404 109 I HA 0.311 4.481 4.170 0.001 0.000 0.293 109 I C -0.005 175.979 176.117 -0.222 0.000 0.992 109 I CA -0.570 60.638 61.300 -0.153 0.000 1.149 109 I CB 1.508 39.435 38.000 -0.122 0.000 1.315 109 I HN 0.719 nan 8.210 nan 0.000 0.446 110 A N 5.229 127.934 122.820 -0.193 0.000 2.507 110 A HA 0.360 4.680 4.320 0.001 0.000 0.235 110 A C 1.366 178.749 177.584 -0.334 0.000 1.070 110 A CA 0.594 52.486 52.037 -0.241 0.000 0.768 110 A CB 0.457 19.353 19.000 -0.174 0.000 1.011 110 A HN 1.077 nan 8.150 nan 0.000 0.502 111 A N 1.886 124.401 122.820 -0.508 0.000 1.940 111 A HA 0.072 4.392 4.320 0.001 0.000 0.219 111 A C 2.399 179.670 177.584 -0.522 0.000 1.176 111 A CA 2.548 54.062 52.037 -0.872 0.000 0.631 111 A CB -1.084 16.935 19.000 -1.634 0.000 0.814 111 A HN 1.759 nan 8.150 nan 0.000 0.446 112 A N -0.374 122.260 122.820 -0.309 0.000 1.883 112 A HA -0.159 4.161 4.320 0.001 0.000 0.217 112 A C 1.917 179.467 177.584 -0.057 0.000 1.186 112 A CA 2.040 54.003 52.037 -0.124 0.000 0.624 112 A CB -0.491 18.454 19.000 -0.091 0.000 0.822 112 A HN 0.486 nan 8.150 nan 0.000 0.444 113 E N -0.667 119.483 120.200 -0.083 0.000 2.106 113 E HA -0.096 4.255 4.350 0.001 0.000 0.192 113 E C 1.866 178.463 176.600 -0.005 0.000 0.984 113 E CA 0.874 57.252 56.400 -0.036 0.000 0.806 113 E CB -0.344 29.324 29.700 -0.054 0.000 0.750 113 E HN 0.506 nan 8.360 nan 0.000 0.458 114 L N 0.995 122.189 121.223 -0.049 0.000 2.017 114 L HA -0.232 4.108 4.340 0.001 0.000 0.208 114 L C 2.316 179.269 176.870 0.138 0.000 1.073 114 L CA 2.018 56.865 54.840 0.011 0.000 0.745 114 L CB -0.589 41.428 42.059 -0.069 0.000 0.894 114 L HN 0.158 nan 8.230 nan 0.000 0.432 115 Q N -0.815 119.097 119.800 0.186 0.000 2.170 115 Q HA -0.194 4.146 4.340 0.001 0.000 0.203 115 Q C 2.012 178.231 176.000 0.364 0.000 0.976 115 Q CA 1.667 57.675 55.803 0.342 0.000 0.858 115 Q CB -0.223 28.751 28.738 0.394 0.000 0.907 115 Q HN 0.649 nan 8.270 nan 0.000 0.433 116 A N 0.552 123.514 122.820 0.236 0.000 2.067 116 A HA -0.095 4.225 4.320 0.001 0.000 0.219 116 A C 1.840 179.559 177.584 0.226 0.000 1.158 116 A CA 0.661 52.839 52.037 0.234 0.000 0.661 116 A CB -0.285 18.785 19.000 0.118 0.000 0.801 116 A HN 0.234 nan 8.150 nan 0.000 0.452 117 R N -0.730 119.877 120.500 0.180 0.000 2.241 117 R HA -0.041 4.299 4.340 0.001 0.000 0.224 117 R C 1.201 177.608 176.300 0.178 0.000 1.101 117 R CA 0.682 56.871 56.100 0.149 0.000 0.995 117 R CB -0.695 29.674 30.300 0.114 0.000 0.870 117 R HN 0.452 nan 8.270 nan 0.000 0.463 118 L N -0.059 121.294 121.223 0.216 0.000 2.395 118 L HA 0.085 4.425 4.340 0.001 0.000 0.218 118 L C 2.263 179.200 176.870 0.112 0.000 1.130 118 L CA 0.998 55.950 54.840 0.187 0.000 0.826 118 L CB -0.810 41.287 42.059 0.065 0.000 0.941 118 L HN 0.048 nan 8.230 nan 0.000 0.451 119 A N 0.400 123.364 122.820 0.239 0.000 1.877 119 A HA -0.082 4.239 4.320 0.001 0.000 0.216 119 A C 0.084 177.761 177.584 0.156 0.000 1.186 119 A CA 1.438 53.656 52.037 0.302 0.000 0.620 119 A CB -1.724 17.490 19.000 0.357 0.000 0.822 119 A HN 0.291 nan 8.150 nan 0.000 0.443 120 P HA -0.125 nan 4.420 nan 0.000 0.215 120 P C 1.502 178.817 177.300 0.026 0.000 1.157 120 P CA 2.019 65.162 63.100 0.072 0.000 0.874 120 P CB -0.232 31.511 31.700 0.071 0.000 0.790 121 T N -0.540 114.010 114.554 -0.007 0.000 2.777 121 T HA -0.052 4.298 4.350 0.001 0.000 0.266 121 T C 1.760 176.307 174.700 -0.256 0.000 1.040 121 T CA 0.960 62.985 62.100 -0.125 0.000 1.141 121 T CB -0.898 67.897 68.868 -0.121 0.000 0.868 121 T HN 0.030 nan 8.240 nan 0.000 0.444 122 L N 0.447 121.503 121.223 -0.278 0.000 2.083 122 L HA -0.109 4.231 4.340 0.001 0.000 0.209 122 L C 2.866 179.808 176.870 0.119 0.000 1.083 122 L CA 1.393 56.126 54.840 -0.179 0.000 0.752 122 L CB -0.453 41.502 42.059 -0.174 0.000 0.899 122 L HN 0.187 nan 8.230 nan 0.000 0.433 123 R N 0.073 120.641 120.500 0.113 0.000 2.081 123 R HA -0.164 4.177 4.340 0.001 0.000 0.235 123 R C 2.334 178.694 176.300 0.101 0.000 1.131 123 R CA 1.341 57.520 56.100 0.132 0.000 0.960 123 R CB -0.205 30.157 30.300 0.103 0.000 0.856 123 R HN 0.333 nan 8.270 nan 0.000 0.436 124 K N 0.680 121.102 120.400 0.037 0.000 2.026 124 K HA -0.127 4.193 4.320 0.001 0.000 0.208 124 K C 2.066 178.651 176.600 -0.025 0.000 1.048 124 K CA 1.323 57.623 56.287 0.023 0.000 0.929 124 K CB -0.026 32.465 32.500 -0.015 0.000 0.713 124 K HN 0.115 nan 8.250 nan 0.000 0.439 125 K N 0.609 120.933 120.400 -0.126 0.000 2.002 125 K HA -0.127 4.193 4.320 0.001 0.000 0.209 125 K C 2.307 178.818 176.600 -0.149 0.000 1.048 125 K CA 1.314 57.386 56.287 -0.357 0.000 0.930 125 K CB -0.240 32.033 32.500 -0.379 0.000 0.714 125 K HN 0.122 nan 8.250 nan 0.000 0.438 126 A N 1.240 124.227 122.820 0.277 0.000 1.892 126 A HA -0.274 4.046 4.320 0.001 0.000 0.218 126 A C 2.016 179.754 177.584 0.256 0.000 1.188 126 A CA 2.167 54.396 52.037 0.320 0.000 0.631 126 A CB -0.900 18.210 19.000 0.184 0.000 0.822 126 A HN 0.455 nan 8.150 nan 0.000 0.447 127 H N 0.035 119.153 119.070 0.080 0.000 2.293 127 H HA -0.158 4.399 4.556 0.001 0.000 0.300 127 H C 2.030 177.394 175.328 0.061 0.000 1.082 127 H CA 2.224 58.307 56.048 0.059 0.000 1.308 127 H CB -0.444 29.334 29.762 0.027 0.000 1.375 127 H HN 0.554 nan 8.280 nan 0.000 0.495 128 N N -1.172 117.468 118.700 -0.101 0.000 2.069 128 N HA -0.211 4.530 4.740 0.001 0.000 0.191 128 N C 1.465 176.994 175.510 0.031 0.000 1.031 128 N CA 1.770 54.746 53.050 -0.123 0.000 0.852 128 N CB -0.286 38.132 38.487 -0.115 0.000 1.018 128 N HN 0.315 nan 8.380 nan 0.000 0.423 129 Y N 0.366 120.655 120.300 -0.020 0.000 2.242 129 Y HA 0.070 4.621 4.550 0.001 0.000 0.291 129 Y C 2.750 178.609 175.900 -0.069 0.000 1.137 129 Y CA 0.543 58.578 58.100 -0.109 0.000 1.181 129 Y CB -0.923 37.362 38.460 -0.292 0.000 0.989 129 Y HN 0.070 nan 8.280 nan 0.000 0.527 130 S N -0.128 115.707 115.700 0.226 0.000 2.368 130 S HA -0.155 4.315 4.470 0.001 0.000 0.225 130 S C 1.880 176.502 174.600 0.036 0.000 1.030 130 S CA 1.228 59.542 58.200 0.191 0.000 0.999 130 S CB -0.121 63.156 63.200 0.129 0.000 0.844 130 S HN 0.414 nan 8.310 nan 0.000 0.459 131 E N 1.019 121.170 120.200 -0.081 0.000 2.153 131 E HA -0.046 4.305 4.350 0.001 0.000 0.194 131 E C 1.893 178.479 176.600 -0.023 0.000 0.988 131 E CA 0.801 57.142 56.400 -0.100 0.000 0.811 131 E CB -0.120 29.446 29.700 -0.224 0.000 0.746 131 E HN 0.436 nan 8.360 nan 0.000 0.466 132 R N -0.844 119.663 120.500 0.012 0.000 2.300 132 R HA 0.117 4.457 4.340 0.001 0.000 0.199 132 R C 1.059 177.367 176.300 0.013 0.000 0.920 132 R CA 0.544 56.657 56.100 0.021 0.000 1.046 132 R CB 0.458 30.785 30.300 0.045 0.000 0.984 132 R HN 0.168 nan 8.270 nan 0.000 0.493 133 G N 1.674 110.489 108.800 0.025 0.000 2.176 133 G HA2 -0.275 3.685 3.960 0.001 0.000 0.252 133 G HA3 -0.275 3.685 3.960 0.001 0.000 0.252 133 G C 0.075 174.977 174.900 0.002 0.000 1.024 133 G CA -0.192 44.922 45.100 0.024 0.000 0.755 133 G HN 0.215 nan 8.290 nan 0.000 0.507 134 I N 0.545 121.097 120.570 -0.031 0.000 2.575 134 I HA 0.184 4.355 4.170 0.001 0.000 0.285 134 I C 0.459 176.526 176.117 -0.084 0.000 1.085 134 I CA -0.387 60.840 61.300 -0.122 0.000 1.403 134 I CB 0.867 38.687 38.000 -0.300 0.000 1.409 134 I HN 0.057 nan 8.210 nan 0.000 0.557 135 D N 5.286 125.658 120.400 -0.048 0.000 2.402 135 D HA 0.059 4.699 4.640 0.001 0.000 0.235 135 D C 1.057 177.398 176.300 0.069 0.000 1.226 135 D CA 0.035 54.060 54.000 0.043 0.000 0.918 135 D CB 0.382 41.199 40.800 0.027 0.000 1.043 135 D HN 0.394 nan 8.370 nan 0.000 0.506 136 H N 1.835 120.927 119.070 0.038 0.000 2.426 136 H HA -0.056 4.500 4.556 0.000 0.000 0.298 136 H C 2.068 177.502 175.328 0.177 0.000 1.107 136 H CA 1.516 57.630 56.048 0.111 0.000 1.298 136 H CB 0.058 29.684 29.762 -0.228 0.000 1.377 136 H HN 0.511 nan 8.280 nan 0.000 0.519 137 G N 0.266 109.186 108.800 0.200 0.000 2.776 137 G HA2 -0.134 3.826 3.960 0.001 0.000 0.209 137 G HA3 -0.134 3.826 3.960 0.001 0.000 0.209 137 G C 1.100 176.073 174.900 0.122 0.000 1.145 137 G CA 0.273 45.452 45.100 0.131 0.000 0.791 137 G HN 0.317 nan 8.290 nan 0.000 0.530 138 E N -0.289 119.984 120.200 0.122 0.000 2.498 138 E HA 0.217 4.567 4.350 0.001 0.000 0.203 138 E C 0.340 176.997 176.600 0.096 0.000 1.013 138 E CA -0.088 56.360 56.400 0.080 0.000 0.927 138 E CB 0.619 30.342 29.700 0.038 0.000 1.012 138 E HN 0.350 nan 8.360 nan 0.000 0.482 139 L N 1.700 123.032 121.223 0.183 0.000 2.307 139 L HA 0.339 4.679 4.340 0.001 0.000 0.284 139 L C -0.173 176.803 176.870 0.176 0.000 1.023 139 L CA -0.634 54.314 54.840 0.181 0.000 0.810 139 L CB 1.433 43.653 42.059 0.270 0.000 1.231 139 L HN -0.272 nan 8.230 nan 0.000 0.423 140 D N 4.867 125.310 120.400 0.073 0.000 2.443 140 D HA 0.263 4.904 4.640 0.001 0.000 0.221 140 D C -0.175 176.171 176.300 0.076 0.000 1.097 140 D CA -0.368 53.660 54.000 0.046 0.000 0.865 140 D CB 1.872 42.628 40.800 -0.073 0.000 1.034 140 D HN 0.162 nan 8.370 nan 0.000 0.511 141 L N 2.321 123.508 121.223 -0.060 0.000 2.380 141 L HA 0.273 4.613 4.340 0.001 0.000 0.273 141 L C 0.047 176.843 176.870 -0.122 0.000 1.138 141 L CA -0.255 54.507 54.840 -0.130 0.000 0.832 141 L CB 0.894 42.714 42.059 -0.398 0.000 1.124 141 L HN 0.280 nan 8.230 nan 0.000 0.454 142 L N 3.834 124.963 121.223 -0.156 0.000 2.457 142 L HA 0.576 4.916 4.340 0.001 0.000 0.266 142 L C -0.295 176.166 176.870 -0.682 0.000 0.979 142 L CA -0.243 54.315 54.840 -0.471 0.000 0.857 142 L CB 1.454 43.145 42.059 -0.614 0.000 1.213 142 L HN 0.624 nan 8.230 nan 0.000 0.418 143 A N 4.424 126.724 122.820 -0.868 0.000 2.274 143 A HA 0.551 4.871 4.320 0.001 0.000 0.309 143 A C -0.991 176.148 177.584 -0.742 0.000 1.226 143 A CA -0.345 50.936 52.037 -1.260 0.000 0.853 143 A CB 0.140 18.422 19.000 -1.197 0.000 1.146 143 A HN 0.647 nan 8.150 nan 0.000 0.518 144 F N 4.172 123.635 119.950 -0.812 0.000 2.390 144 F HA 0.503 5.030 4.527 0.000 0.000 0.361 144 F C -0.424 175.226 175.800 -0.251 0.000 1.124 144 F CA -0.310 57.411 58.000 -0.465 0.000 1.149 144 F CB 0.978 39.752 39.000 -0.377 0.000 1.160 144 F HN 0.281 nan 8.300 nan 0.000 0.501 145 V N 5.876 125.385 119.914 -0.676 0.000 2.370 145 V HA 0.361 4.481 4.120 0.001 0.000 0.283 145 V C -0.764 175.089 176.094 -0.400 0.000 1.023 145 V CA -0.710 61.376 62.300 -0.358 0.000 0.857 145 V CB 1.352 33.084 31.823 -0.153 0.000 0.985 145 V HN 0.741 nan 8.190 nan 0.000 0.443 146 N N 4.895 123.506 118.700 -0.147 0.000 2.629 146 N HA 0.470 5.210 4.740 0.001 0.000 0.277 146 N C -1.521 174.021 175.510 0.052 0.000 1.188 146 N CA -0.320 52.706 53.050 -0.040 0.000 0.835 146 N CB 1.073 39.615 38.487 0.092 0.000 1.420 146 N HN 0.603 nan 8.380 nan 0.000 0.542 147 L N 3.271 124.519 121.223 0.042 0.000 2.325 147 L HA 0.478 4.818 4.340 0.001 0.000 0.281 147 L C 1.465 178.356 176.870 0.036 0.000 1.004 147 L CA -0.705 54.160 54.840 0.042 0.000 0.823 147 L CB 2.061 44.138 42.059 0.030 0.000 1.236 147 L HN 0.505 nan 8.230 nan 0.000 0.415 148 K N 1.811 122.232 120.400 0.036 0.000 2.217 148 K HA 0.017 4.337 4.320 0.001 0.000 0.202 148 K C 1.515 178.123 176.600 0.014 0.000 1.051 148 K CA 0.853 57.156 56.287 0.026 0.000 0.952 148 K CB 0.348 32.864 32.500 0.026 0.000 0.736 148 K HN 0.490 nan 8.250 nan 0.000 0.453 149 R N -0.180 120.327 120.500 0.012 0.000 2.297 149 R HA 0.202 4.542 4.340 0.001 0.000 0.197 149 R C 0.054 176.351 176.300 -0.005 0.000 0.943 149 R CA 0.306 56.409 56.100 0.004 0.000 1.038 149 R CB 0.584 30.887 30.300 0.006 0.000 0.957 149 R HN 0.090 nan 8.270 nan 0.000 0.484 150 A N 0.574 123.389 122.820 -0.007 0.000 2.539 150 A HA 0.626 4.947 4.320 0.001 0.000 0.296 150 A C -0.724 176.841 177.584 -0.033 0.000 1.073 150 A CA -0.685 51.337 52.037 -0.026 0.000 0.700 150 A CB 1.950 20.932 19.000 -0.031 0.000 1.296 150 A HN -0.030 nan 8.150 nan 0.000 0.405 151 V N -1.283 118.591 119.914 -0.066 0.000 2.709 151 V HA 0.761 4.881 4.120 0.001 0.000 0.308 151 V C -3.136 172.823 176.094 -0.225 0.000 1.062 151 V CA -2.679 59.568 62.300 -0.089 0.000 0.901 151 V CB 1.550 33.345 31.823 -0.047 0.000 1.003 151 V HN 0.622 nan 8.190 nan 0.000 0.425 152 P HA 0.173 nan 4.420 nan 0.000 0.268 152 P C -0.853 175.949 177.300 -0.830 0.000 1.205 152 P CA 0.244 62.893 63.100 -0.752 0.000 0.771 152 P CB 0.377 31.296 31.700 -1.301 0.000 0.858 153 D N 2.384 122.428 120.400 -0.592 0.000 2.441 153 D HA 0.105 4.745 4.640 0.001 0.000 0.221 153 D C 0.260 176.315 176.300 -0.408 0.000 1.156 153 D CA -0.222 53.541 54.000 -0.394 0.000 0.896 153 D CB -0.294 40.365 40.800 -0.235 0.000 1.028 153 D HN 0.228 nan 8.370 nan 0.000 0.509 154 F N 1.793 121.684 119.950 -0.098 0.000 2.771 154 F HA 0.005 4.533 4.527 0.002 0.000 0.299 154 F C 1.784 177.551 175.800 -0.055 0.000 1.177 154 F CA -0.074 57.877 58.000 -0.082 0.000 1.450 154 F CB 0.076 39.051 39.000 -0.042 0.000 1.114 154 F HN 0.255 nan 8.300 nan 0.000 0.587 155 N N -0.145 118.591 118.700 0.060 0.000 2.398 155 N HA -0.018 4.722 4.740 0.001 0.000 0.188 155 N C 0.543 176.044 175.510 -0.015 0.000 1.122 155 N CA 0.549 53.617 53.050 0.030 0.000 0.866 155 N CB -0.205 38.292 38.487 0.017 0.000 0.970 155 N HN 0.182 nan 8.380 nan 0.000 0.462 156 T N -0.694 113.817 114.554 -0.072 0.000 2.859 156 T HA 0.537 4.887 4.350 0.001 0.000 0.281 156 T C -2.791 171.831 174.700 -0.129 0.000 1.005 156 T CA -1.816 60.215 62.100 -0.116 0.000 1.025 156 T CB 2.513 71.271 68.868 -0.183 0.000 0.977 156 T HN -0.137 nan 8.240 nan 0.000 0.458 157 P HA 0.392 nan 4.420 nan 0.000 0.282 157 P C -0.999 176.257 177.300 -0.073 0.000 1.249 157 P CA -0.774 62.322 63.100 -0.007 0.000 0.806 157 P CB 0.421 32.140 31.700 0.031 0.000 0.984 158 F N 3.331 123.295 119.950 0.023 0.000 2.472 158 F HA 0.229 4.756 4.527 0.001 0.000 0.364 158 F C -1.024 174.799 175.800 0.040 0.000 1.090 158 F CA -1.199 56.824 58.000 0.037 0.000 1.188 158 F CB -0.158 38.884 39.000 0.069 0.000 1.105 158 F HN 0.215 nan 8.300 nan 0.000 0.536 159 P HA 0.201 nan 4.420 nan 0.000 0.274 159 P C -2.723 174.656 177.300 0.131 0.000 1.237 159 P CA -1.647 61.513 63.100 0.101 0.000 0.793 159 P CB 0.059 31.783 31.700 0.041 0.000 0.977 160 P HA 0.045 nan 4.420 nan 0.000 0.262 160 P C -1.987 175.345 177.300 0.054 0.000 1.182 160 P CA -0.532 62.610 63.100 0.069 0.000 0.761 160 P CB -0.867 30.846 31.700 0.023 0.000 0.795 161 P HA 0.011 nan 4.420 nan 0.000 0.220 161 P C 0.849 178.114 177.300 -0.059 0.000 1.806 161 P CA -0.002 63.145 63.100 0.078 0.000 0.976 161 P CB -0.414 31.523 31.700 0.396 0.000 1.952 162 T N -2.195 112.291 114.554 -0.113 0.000 2.746 162 T HA -0.214 4.136 4.350 0.001 0.000 0.267 162 T C 1.629 176.254 174.700 -0.125 0.000 1.039 162 T CA 1.101 63.132 62.100 -0.116 0.000 1.142 162 T CB -0.613 68.202 68.868 -0.088 0.000 0.866 162 T HN 0.248 nan 8.240 nan 0.000 0.444 163 E N -0.195 119.883 120.200 -0.202 0.000 2.110 163 E HA -0.156 4.194 4.350 0.001 0.000 0.193 163 E C 1.851 178.489 176.600 0.062 0.000 0.988 163 E CA 1.104 57.426 56.400 -0.131 0.000 0.804 163 E CB -0.134 29.445 29.700 -0.201 0.000 0.745 163 E HN 0.697 nan 8.360 nan 0.000 0.458 164 Y N 0.289 120.700 120.300 0.185 0.000 2.286 164 Y HA -0.031 4.519 4.550 -0.000 0.000 0.293 164 Y C 2.173 178.225 175.900 0.254 0.000 1.124 164 Y CA 0.358 58.683 58.100 0.375 0.000 1.178 164 Y CB -0.692 38.114 38.460 0.575 0.000 1.010 164 Y HN 0.041 nan 8.280 nan 0.000 0.536 165 L N -0.140 121.083 121.223 -0.000 0.000 2.012 165 L HA -0.262 4.078 4.340 0.001 0.000 0.210 165 L C 2.533 179.323 176.870 -0.134 0.000 1.073 165 L CA 1.558 56.168 54.840 -0.383 0.000 0.748 165 L CB -0.467 41.318 42.059 -0.458 0.000 0.891 165 L HN 0.111 nan 8.230 nan 0.000 0.431 166 R N -0.373 120.077 120.500 -0.084 0.000 2.193 166 R HA -0.172 4.169 4.340 0.001 0.000 0.229 166 R C 2.127 178.336 176.300 -0.151 0.000 1.110 166 R CA 0.976 57.020 56.100 -0.094 0.000 0.988 166 R CB -0.224 30.035 30.300 -0.069 0.000 0.871 166 R HN 0.546 nan 8.270 nan 0.000 0.458 167 Q N -0.825 118.880 119.800 -0.159 0.000 2.369 167 Q HA 0.002 4.343 4.340 0.001 0.000 0.206 167 Q C 1.031 176.571 176.000 -0.768 0.000 0.963 167 Q CA 0.807 56.358 55.803 -0.419 0.000 0.894 167 Q CB 0.480 29.034 28.738 -0.308 0.000 0.965 167 Q HN 0.576 nan 8.270 nan 0.000 0.475 168 G N -0.077 108.445 108.800 -0.463 0.000 2.175 168 G HA2 -0.220 3.740 3.960 0.001 0.000 0.244 168 G HA3 -0.220 3.740 3.960 0.001 0.000 0.244 168 G C -0.411 174.457 174.900 -0.054 0.000 0.982 168 G CA -0.244 44.678 45.100 -0.297 0.000 0.641 168 G HN 0.306 nan 8.290 nan 0.000 0.527 169 W N -0.046 121.475 121.300 0.370 0.000 2.187 169 W HA 0.476 5.136 4.660 0.000 0.000 0.348 169 W C 1.640 178.445 176.519 0.477 0.000 1.282 169 W CA -0.093 57.493 57.345 0.402 0.000 1.271 169 W CB 0.341 30.043 29.460 0.403 0.000 1.170 169 W HN 0.148 nan 8.180 nan 0.000 0.583 170 R N 0.898 121.738 120.500 0.566 0.000 2.092 170 R HA -0.082 4.258 4.340 0.001 0.000 0.231 170 R C 0.320 176.921 176.300 0.501 0.000 1.119 170 R CA 1.616 57.995 56.100 0.465 0.000 0.970 170 R CB -0.010 30.435 30.300 0.241 0.000 0.864 170 R HN 0.549 nan 8.270 nan 0.000 0.440 171 S N -1.284 114.554 115.700 0.231 0.000 2.588 171 S HA 0.487 4.957 4.470 0.001 0.000 0.269 171 S C -1.605 172.682 174.600 -0.522 0.000 1.157 171 S CA -1.161 56.892 58.200 -0.245 0.000 0.824 171 S CB 1.803 64.947 63.200 -0.094 0.000 1.126 171 S HN 0.064 nan 8.310 nan 0.000 0.464 172 L N 1.047 121.750 121.223 -0.868 0.000 2.505 172 L HA 0.877 5.217 4.340 0.001 0.000 0.266 172 L C -0.930 175.728 176.870 -0.352 0.000 0.954 172 L CA 0.290 54.801 54.840 -0.549 0.000 0.852 172 L CB 1.808 43.549 42.059 -0.530 0.000 1.282 172 L HN 0.973 nan 8.230 nan 0.000 0.403 176 G N 4.414 112.845 108.800 -0.616 0.000 2.721 176 G HA2 0.646 4.606 3.960 0.001 0.000 0.296 176 G HA3 0.646 4.606 3.960 0.001 0.000 0.296 176 G C -2.839 171.995 174.900 -0.110 0.000 1.383 176 G CA -0.233 44.492 45.100 -0.624 0.000 0.788 176 G HN 0.490 nan 8.290 nan 0.000 0.500 177 P HA -0.024 nan 4.420 nan 0.000 0.219 177 P C 1.823 179.307 177.300 0.307 0.000 1.146 177 P CA 2.313 65.507 63.100 0.157 0.000 0.808 177 P CB 0.189 31.985 31.700 0.160 0.000 0.779 178 T N -4.747 110.035 114.554 0.380 0.000 3.037 178 T HA 0.253 4.603 4.350 0.001 0.000 0.251 178 T C 0.348 175.349 174.700 0.502 0.000 1.079 178 T CA -0.197 62.200 62.100 0.496 0.000 1.067 178 T CB -0.613 68.584 68.868 0.548 0.000 0.948 178 T HN 0.187 nan 8.240 nan 0.000 0.496 179 F N -0.627 119.427 119.950 0.173 0.000 2.807 179 F HA 0.768 5.295 4.527 0.000 0.000 0.316 179 F C -1.950 173.793 175.800 -0.095 0.000 1.162 179 F CA -1.621 56.271 58.000 -0.179 0.000 0.910 179 F CB 0.843 39.882 39.000 0.066 0.000 1.314 179 F HN 0.110 nan 8.300 nan 0.000 0.454 180 A N 2.041 124.653 122.820 -0.347 0.000 2.515 180 A HA 0.924 5.244 4.320 0.001 0.000 0.298 180 A C -1.489 176.097 177.584 0.002 0.000 1.059 180 A CA -0.943 50.930 52.037 -0.272 0.000 0.698 180 A CB 2.188 21.160 19.000 -0.045 0.000 1.289 180 A HN 1.108 nan 8.150 nan 0.000 0.404 181 R N 1.387 121.906 120.500 0.032 0.000 2.535 181 R HA 0.519 4.860 4.340 0.001 0.000 0.274 181 R C -2.100 174.230 176.300 0.050 0.000 1.090 181 R CA -0.473 55.649 56.100 0.037 0.000 0.930 181 R CB 1.873 32.131 30.300 -0.071 0.000 1.223 181 R HN 0.547 nan 8.270 nan 0.000 0.441 182 V N 6.741 126.701 119.914 0.077 0.000 2.389 182 V HA 0.125 4.245 4.120 0.001 0.000 0.264 182 V C 1.472 177.563 176.094 -0.004 0.000 1.049 182 V CA -0.112 62.230 62.300 0.071 0.000 0.932 182 V CB 1.141 33.034 31.823 0.117 0.000 1.011 182 V HN 0.790 nan 8.190 nan 0.000 0.475 183 L N 5.145 126.349 121.223 -0.031 0.000 2.095 183 L HA 0.160 4.500 4.340 0.001 0.000 0.204 183 L C 0.594 177.586 176.870 0.203 0.000 1.080 183 L CA 1.416 56.292 54.840 0.059 0.000 0.759 183 L CB -0.120 42.027 42.059 0.147 0.000 0.914 183 L HN 0.734 nan 8.230 nan 0.000 0.439 184 F N -2.082 117.909 119.950 0.067 0.000 2.693 184 F HA 0.759 5.286 4.527 0.000 0.000 0.309 184 F C -1.275 174.541 175.800 0.026 0.000 1.129 184 F CA -1.350 56.667 58.000 0.028 0.000 0.948 184 F CB 1.241 40.249 39.000 0.014 0.000 1.315 184 F HN -0.269 nan 8.300 nan 0.000 0.447 185 A N 1.822 124.768 122.820 0.211 0.000 2.480 185 A HA 0.548 4.869 4.320 0.001 0.000 0.289 185 A C -1.519 176.143 177.584 0.130 0.000 1.044 185 A CA -0.626 51.488 52.037 0.128 0.000 0.761 185 A CB 0.538 19.558 19.000 0.034 0.000 1.289 185 A HN 0.935 nan 8.150 nan 0.000 0.401 186 H N 1.426 120.638 119.070 0.236 0.000 2.671 186 H HA 0.139 4.696 4.556 0.000 0.000 0.372 186 H C 1.946 177.326 175.328 0.086 0.000 1.227 186 H CA 0.994 57.138 56.048 0.159 0.000 1.426 186 H CB 1.327 31.184 29.762 0.158 0.000 1.480 186 H HN 0.905 nan 8.280 nan 0.000 0.611 187 S N 0.780 116.607 115.700 0.211 0.000 2.402 187 S HA -0.160 4.311 4.470 0.001 0.000 0.233 187 S C 2.069 176.718 174.600 0.082 0.000 1.030 187 S CA 1.151 59.419 58.200 0.112 0.000 1.003 187 S CB -0.630 62.625 63.200 0.092 0.000 0.813 187 S HN 0.761 nan 8.310 nan 0.000 0.477 188 G N 1.074 109.931 108.800 0.096 0.000 2.650 188 G HA2 0.445 4.405 3.960 0.001 0.000 0.214 188 G HA3 0.445 4.405 3.960 0.001 0.000 0.214 188 G C 0.472 175.391 174.900 0.032 0.000 1.136 188 G CA 0.170 45.302 45.100 0.053 0.000 0.789 188 G HN 0.869 nan 8.290 nan 0.000 0.536 189 A N 0.777 123.624 122.820 0.044 0.000 2.445 189 A HA 0.550 4.870 4.320 0.001 0.000 0.242 189 A C -1.982 175.543 177.584 -0.099 0.000 1.075 189 A CA -0.980 51.042 52.037 -0.024 0.000 0.777 189 A CB 0.116 19.113 19.000 -0.006 0.000 1.013 189 A HN 0.147 nan 8.150 nan 0.000 0.493 190 P HA -0.078 nan 4.420 nan 0.000 0.264 190 P C 0.783 177.921 177.300 -0.271 0.000 1.173 190 P CA 0.319 63.259 63.100 -0.266 0.000 0.761 190 P CB 0.442 31.814 31.700 -0.547 0.000 0.794 191 E N 2.462 122.605 120.200 -0.094 0.000 2.160 191 E HA -0.213 4.137 4.350 0.001 0.000 0.195 191 E C 1.474 178.078 176.600 0.007 0.000 0.991 191 E CA 1.142 57.530 56.400 -0.019 0.000 0.810 191 E CB -0.301 29.427 29.700 0.046 0.000 0.742 191 E HN 0.560 nan 8.360 nan 0.000 0.466 192 F N -0.048 119.943 119.950 0.069 0.000 2.269 192 F HA -0.084 4.443 4.527 0.000 0.000 0.301 192 F C 1.784 177.630 175.800 0.076 0.000 1.082 192 F CA 0.660 58.704 58.000 0.073 0.000 1.360 192 F CB -0.544 38.519 39.000 0.105 0.000 1.041 192 F HN -0.069 nan 8.300 nan 0.000 0.512 193 L N 0.307 121.272 121.223 -0.431 0.000 2.023 193 L HA -0.067 4.274 4.340 0.001 0.000 0.205 193 L C 2.879 179.728 176.870 -0.034 0.000 1.073 193 L CA 1.318 56.060 54.840 -0.163 0.000 0.745 193 L CB -0.668 41.247 42.059 -0.240 0.000 0.900 193 L HN 0.040 nan 8.230 nan 0.000 0.435 194 R N 0.047 120.515 120.500 -0.053 0.000 2.096 194 R HA -0.137 4.204 4.340 0.001 0.000 0.235 194 R C 2.327 178.641 176.300 0.023 0.000 1.127 194 R CA 1.282 57.382 56.100 0.000 0.000 0.968 194 R CB -0.472 29.828 30.300 0.001 0.000 0.861 194 R HN 0.351 nan 8.270 nan 0.000 0.440 195 A N 1.058 123.898 122.820 0.033 0.000 2.070 195 A HA -0.107 4.214 4.320 0.001 0.000 0.220 195 A C 1.376 178.986 177.584 0.043 0.000 1.159 195 A CA 1.175 53.239 52.037 0.047 0.000 0.656 195 A CB -0.145 18.896 19.000 0.069 0.000 0.800 195 A HN 0.281 nan 8.150 nan 0.000 0.453 196 N N -0.391 118.337 118.700 0.046 0.000 2.214 196 N HA 0.218 4.958 4.740 0.001 0.000 0.214 196 N C -0.330 175.200 175.510 0.034 0.000 1.132 196 N CA -0.076 52.997 53.050 0.037 0.000 0.856 196 N CB 0.334 38.843 38.487 0.038 0.000 1.020 196 N HN 0.394 nan 8.380 nan 0.000 0.509 197 L N 0.033 121.278 121.223 0.037 0.000 2.483 197 L HA 0.129 4.469 4.340 0.001 0.000 0.276 197 L C 1.484 178.372 176.870 0.030 0.000 1.213 197 L CA 0.525 55.387 54.840 0.037 0.000 0.843 197 L CB 0.326 42.412 42.059 0.045 0.000 1.107 197 L HN 0.261 nan 8.230 nan 0.000 0.487 198 G N 1.612 110.429 108.800 0.030 0.000 2.132 198 G HA2 -0.227 3.734 3.960 0.001 0.000 0.234 198 G HA3 -0.227 3.734 3.960 0.001 0.000 0.234 198 G C 0.007 174.924 174.900 0.027 0.000 0.989 198 G CA 0.266 45.386 45.100 0.033 0.000 0.676 198 G HN 0.866 nan 8.290 nan 0.000 0.522 199 R N -1.620 118.887 120.500 0.012 0.000 2.663 199 R HA 0.741 5.082 4.340 0.001 0.000 0.267 199 R C -1.253 175.041 176.300 -0.011 0.000 1.038 199 R CA -0.538 55.566 56.100 0.007 0.000 0.886 199 R CB 0.948 31.247 30.300 0.000 0.000 1.249 199 R HN 0.201 nan 8.270 nan 0.000 0.463 200 S N 1.964 117.663 115.700 -0.001 0.000 2.513 200 S HA 0.555 5.025 4.470 0.001 0.000 0.299 200 S C -0.383 174.180 174.600 -0.061 0.000 1.087 200 S CA -0.865 57.339 58.200 0.006 0.000 1.012 200 S CB 1.200 64.456 63.200 0.093 0.000 1.044 200 S HN 0.412 nan 8.310 nan 0.000 0.485 201 I N 3.217 123.720 120.570 -0.113 0.000 2.321 201 I HA 0.368 4.538 4.170 0.001 0.000 0.291 201 I C -0.867 174.974 176.117 -0.460 0.000 0.998 201 I CA -0.661 60.471 61.300 -0.280 0.000 1.227 201 I CB 0.565 38.359 38.000 -0.344 0.000 1.368 201 I HN 0.363 nan 8.210 nan 0.000 0.466 202 L N 7.211 128.169 121.223 -0.442 0.000 2.287 202 L HA 0.445 4.785 4.340 0.001 0.000 0.287 202 L C -0.278 176.379 176.870 -0.356 0.000 1.022 202 L CA -0.044 54.498 54.840 -0.497 0.000 0.814 202 L CB 0.706 42.449 42.059 -0.527 0.000 1.217 202 L HN 0.245 nan 8.230 nan 0.000 0.420 203 F N 1.886 121.808 119.950 -0.048 0.000 2.410 203 F HA 0.226 4.754 4.527 0.000 0.000 0.348 203 F C 0.861 176.670 175.800 0.015 0.000 1.106 203 F CA -1.010 56.984 58.000 -0.011 0.000 1.163 203 F CB 0.689 39.695 39.000 0.011 0.000 1.129 203 F HN 0.460 nan 8.300 nan 0.000 0.516 204 D N 1.916 122.448 120.400 0.219 0.000 2.443 204 D HA 0.137 4.777 4.640 0.001 0.000 0.234 204 D C 0.105 176.511 176.300 0.177 0.000 1.172 204 D CA 0.083 54.186 54.000 0.171 0.000 0.878 204 D CB 0.602 41.470 40.800 0.114 0.000 1.204 204 D HN 0.620 nan 8.370 nan 0.000 0.453 205 A N 1.078 124.008 122.820 0.183 0.000 2.584 205 A HA 0.405 4.726 4.320 0.001 0.000 0.239 205 A C 1.574 179.205 177.584 0.078 0.000 1.043 205 A CA 0.697 52.816 52.037 0.135 0.000 0.756 205 A CB -0.485 18.608 19.000 0.155 0.000 0.963 205 A HN 0.945 nan 8.150 nan 0.000 0.511 206 G N 0.914 109.739 108.800 0.041 0.000 2.225 206 G HA2 -0.265 3.695 3.960 0.001 0.000 0.254 206 G HA3 -0.265 3.695 3.960 0.001 0.000 0.254 206 G C 0.825 175.691 174.900 -0.058 0.000 0.988 206 G CA 0.628 45.728 45.100 -0.000 0.000 0.625 206 G HN 1.325 nan 8.290 nan 0.000 0.527 207 V N 1.071 120.940 119.914 -0.076 0.000 2.725 207 V HA 0.234 4.354 4.120 0.001 0.000 0.247 207 V C 2.921 178.708 176.094 -0.512 0.000 1.058 207 V CA 2.456 64.648 62.300 -0.180 0.000 1.080 207 V CB -0.534 31.262 31.823 -0.044 0.000 0.713 207 V HN 0.620 nan 8.190 nan 0.000 0.465 208 G N 0.326 108.722 108.800 -0.672 0.000 2.402 208 G HA2 -0.044 3.916 3.960 0.001 0.000 0.216 208 G HA3 -0.044 3.916 3.960 0.001 0.000 0.216 208 G C 0.838 175.404 174.900 -0.557 0.000 1.162 208 G CA 0.427 44.844 45.100 -1.138 0.000 0.777 208 G HN 0.380 nan 8.290 nan 0.000 0.539 209 L N 0.000 121.069 121.223 -0.257 0.000 2.949 209 L HA 0.000 4.340 4.340 0.001 0.000 0.249 209 L CA 0.000 54.776 54.840 -0.107 0.000 0.813 209 L CB 0.000 42.094 42.059 0.059 0.000 0.961 209 L HN 0.000 nan 8.230 nan 0.000 0.502