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 3liy_1_D DATA FIRST_RESID 1 DATA SEQUENCE PVIPLDPARR PVIKAQVDTQ TSHPKTIEAL LDTGADMTVI PIALFSSNTP DATA SEQUENCE LKNTSVLGAG GQTQDHFKLT SLPVLIRLPF RTTPIVLTSC LVDTKNNWAI DATA SEQUENCE IGRDALQQCQ GVLYLP 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 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.313 177.300 0.022 0.000 1.155 1 P CA 0.000 63.117 63.100 0.029 0.000 0.800 1 P CB 0.000 31.726 31.700 0.044 0.000 0.726 2 V N 2.095 122.020 119.914 0.018 0.000 2.461 2 V HA 0.297 4.417 4.120 0.000 0.000 0.275 2 V C 0.432 176.543 176.094 0.028 0.000 1.047 2 V CA -0.134 62.181 62.300 0.024 0.000 0.955 2 V CB 0.823 32.659 31.823 0.022 0.000 0.988 2 V HN 0.370 nan 8.190 nan 0.000 0.471 3 I N 8.074 128.663 120.570 0.030 0.000 2.359 3 I HA 0.373 4.543 4.170 0.000 0.000 0.284 3 I C -1.717 174.417 176.117 0.027 0.000 1.018 3 I CA -1.535 59.781 61.300 0.026 0.000 1.173 3 I CB 1.514 39.526 38.000 0.020 0.000 1.326 3 I HN 0.526 nan 8.210 nan 0.000 0.462 4 P HA 0.244 nan 4.420 nan 0.000 0.272 4 P C -0.994 176.313 177.300 0.013 0.000 1.223 4 P CA -0.242 62.871 63.100 0.022 0.000 0.784 4 P CB 0.942 32.653 31.700 0.019 0.000 0.923 5 L N 1.896 123.124 121.223 0.009 0.000 2.313 5 L HA 0.508 4.848 4.340 0.000 0.000 0.283 5 L C -0.024 176.845 176.870 -0.002 0.000 1.013 5 L CA -0.389 54.451 54.840 0.001 0.000 0.816 5 L CB 1.622 43.679 42.059 -0.004 0.000 1.236 5 L HN 0.394 nan 8.230 nan 0.000 0.419 6 D N 4.321 124.719 120.400 -0.004 0.000 2.966 6 D HA 0.284 4.924 4.640 0.000 0.000 0.222 6 D C -2.092 174.204 176.300 -0.005 0.000 1.292 6 D CA -1.507 52.491 54.000 -0.003 0.000 0.907 6 D CB 2.716 43.516 40.800 0.001 0.000 1.621 6 D HN 0.113 nan 8.370 nan 0.000 0.557 7 P HA 0.010 nan 4.420 nan 0.000 0.220 7 P C 0.882 178.179 177.300 -0.004 0.000 1.148 7 P CA 0.551 63.647 63.100 -0.006 0.000 0.803 7 P CB 0.278 31.975 31.700 -0.005 0.000 0.782 8 A N -0.202 122.618 122.820 -0.001 0.000 2.178 8 A HA 0.063 4.383 4.320 0.000 0.000 0.211 8 A C 1.055 178.640 177.584 0.002 0.000 1.157 8 A CA 0.198 52.236 52.037 0.001 0.000 0.780 8 A CB -0.264 18.738 19.000 0.003 0.000 0.828 8 A HN 0.163 nan 8.150 nan 0.000 0.476 9 R N 0.289 120.789 120.500 -0.000 0.000 2.500 9 R HA 0.380 4.720 4.340 0.000 0.000 0.299 9 R C -1.056 175.241 176.300 -0.004 0.000 1.038 9 R CA -0.609 55.491 56.100 0.000 0.000 0.903 9 R CB 1.535 31.837 30.300 0.003 0.000 1.177 9 R HN 0.218 nan 8.270 nan 0.000 0.455 10 R N 2.932 123.427 120.500 -0.008 0.000 2.623 10 R HA 0.077 4.417 4.340 0.000 0.000 0.271 10 R C -1.870 174.421 176.300 -0.014 0.000 1.043 10 R CA -1.048 55.041 56.100 -0.018 0.000 1.083 10 R CB 0.295 30.580 30.300 -0.025 0.000 0.974 10 R HN 0.331 nan 8.270 nan 0.000 0.436 11 P HA 0.051 nan 4.420 nan 0.000 0.280 11 P C -0.814 176.477 177.300 -0.016 0.000 1.386 11 P CA -0.157 62.936 63.100 -0.012 0.000 0.899 11 P CB 0.630 32.323 31.700 -0.012 0.000 1.098 12 V N 2.331 122.239 119.914 -0.009 0.000 2.815 12 V HA 0.701 4.821 4.120 0.000 0.000 0.314 12 V C -0.313 175.779 176.094 -0.003 0.000 1.064 12 V CA -1.222 61.073 62.300 -0.009 0.000 0.952 12 V CB 2.603 34.422 31.823 -0.006 0.000 1.020 12 V HN 0.389 nan 8.190 nan 0.000 0.439 13 I N 1.583 122.149 120.570 -0.005 0.000 2.686 13 I HA 0.537 4.707 4.170 0.000 0.000 0.295 13 I C -0.562 175.547 176.117 -0.013 0.000 1.114 13 I CA -0.829 60.467 61.300 -0.006 0.000 1.038 13 I CB 2.188 40.185 38.000 -0.005 0.000 1.238 13 I HN 0.650 nan 8.210 nan 0.000 0.420 14 K N 5.323 125.708 120.400 -0.024 0.000 2.322 14 K HA 0.604 4.924 4.320 0.000 0.000 0.283 14 K C -0.717 175.855 176.600 -0.047 0.000 1.042 14 K CA -0.235 56.030 56.287 -0.036 0.000 0.958 14 K CB 1.344 33.812 32.500 -0.053 0.000 0.984 14 K HN 0.622 nan 8.250 nan 0.000 0.473 15 A N 2.666 125.464 122.820 -0.038 0.000 2.449 15 A HA 0.299 4.620 4.320 0.000 0.000 0.302 15 A C -0.957 176.603 177.584 -0.040 0.000 1.048 15 A CA -0.694 51.321 52.037 -0.038 0.000 0.708 15 A CB 1.413 20.401 19.000 -0.020 0.000 1.274 15 A HN 0.669 nan 8.150 nan 0.000 0.410 16 Q N 1.838 121.611 119.800 -0.045 0.000 2.303 16 Q HA 0.559 4.899 4.340 0.000 0.000 0.257 16 Q C -1.476 174.499 176.000 -0.041 0.000 0.941 16 Q CA -0.306 55.471 55.803 -0.044 0.000 0.931 16 Q CB 1.054 29.767 28.738 -0.042 0.000 1.215 16 Q HN 0.546 nan 8.270 nan 0.000 0.437 17 V N 4.077 123.958 119.914 -0.055 0.000 2.398 17 V HA 0.228 4.348 4.120 0.000 0.000 0.286 17 V C -0.566 175.471 176.094 -0.096 0.000 1.026 17 V CA -0.671 61.594 62.300 -0.058 0.000 0.868 17 V CB 1.703 33.494 31.823 -0.053 0.000 0.982 17 V HN 0.749 nan 8.190 nan 0.000 0.443 18 D N 2.918 123.276 120.400 -0.069 0.000 2.461 18 D HA 0.239 4.879 4.640 0.000 0.000 0.240 18 D C 1.099 177.360 176.300 -0.065 0.000 1.094 18 D CA -0.155 53.795 54.000 -0.083 0.000 0.868 18 D CB 1.868 42.644 40.800 -0.040 0.000 1.062 18 D HN 0.640 nan 8.370 nan 0.000 0.530 19 T N 0.471 114.939 114.554 -0.144 0.000 3.148 19 T HA -0.046 4.304 4.350 0.000 0.000 0.253 19 T C 0.826 175.559 174.700 0.055 0.000 1.134 19 T CA 0.266 62.346 62.100 -0.034 0.000 1.051 19 T CB -0.260 68.362 68.868 -0.411 0.000 0.959 19 T HN 0.596 nan 8.240 nan 0.000 0.525 20 Q N -0.082 119.712 119.800 -0.009 0.000 2.465 20 Q HA -0.200 4.140 4.340 0.000 0.000 0.248 20 Q C 0.954 176.976 176.000 0.036 0.000 0.819 20 Q CA 1.353 57.169 55.803 0.022 0.000 1.219 20 Q CB -2.731 26.036 28.738 0.048 0.000 1.472 20 Q HN 0.881 nan 8.270 nan 0.000 0.630 21 T N -4.266 110.295 114.554 0.013 0.000 2.975 21 T HA 0.314 4.664 4.350 0.000 0.000 0.257 21 T C 0.626 175.318 174.700 -0.014 0.000 1.003 21 T CA 0.599 62.724 62.100 0.040 0.000 0.932 21 T CB 0.708 69.670 68.868 0.157 0.000 1.087 21 T HN 0.398 nan 8.240 nan 0.000 0.512 22 S N 0.752 116.403 115.700 -0.080 0.000 2.843 22 S HA 0.525 4.995 4.470 0.000 0.000 0.301 22 S C -0.516 174.044 174.600 -0.066 0.000 1.206 22 S CA -0.820 57.340 58.200 -0.067 0.000 0.875 22 S CB 0.550 63.667 63.200 -0.138 0.000 1.248 22 S HN 0.727 nan 8.310 nan 0.000 0.555 23 H N 0.036 119.071 119.070 -0.058 0.000 2.679 23 H HA 0.645 5.201 4.556 0.000 0.000 0.369 23 H C -2.946 172.339 175.328 -0.072 0.000 1.178 23 H CA -1.148 54.868 56.048 -0.052 0.000 1.419 23 H CB -0.812 28.926 29.762 -0.040 0.000 1.458 23 H HN 0.345 nan 8.280 nan 0.000 0.605 24 P HA 0.154 nan 4.420 nan 0.000 0.269 24 P C -0.961 176.234 177.300 -0.175 0.000 1.209 24 P CA -0.103 62.929 63.100 -0.113 0.000 0.776 24 P CB 0.611 32.305 31.700 -0.011 0.000 0.876 25 K N 0.780 121.062 120.400 -0.197 0.000 2.375 25 K HA 0.488 4.808 4.320 0.000 0.000 0.249 25 K C -0.552 175.999 176.600 -0.080 0.000 0.942 25 K CA -0.681 55.512 56.287 -0.156 0.000 0.806 25 K CB 1.588 33.948 32.500 -0.232 0.000 1.227 25 K HN 0.242 nan 8.250 nan 0.000 0.430 26 T N 3.083 117.611 114.554 -0.043 0.000 2.780 26 T HA 0.396 4.746 4.350 0.000 0.000 0.294 26 T C 0.158 174.841 174.700 -0.028 0.000 0.949 26 T CA -0.471 61.609 62.100 -0.033 0.000 1.074 26 T CB -0.115 68.740 68.868 -0.021 0.000 0.910 26 T HN 0.479 nan 8.240 nan 0.000 0.501 27 I N -0.167 120.390 120.570 -0.022 0.000 3.002 27 I HA 0.705 4.875 4.170 0.000 0.000 0.310 27 I C -0.464 175.652 176.117 -0.001 0.000 1.087 27 I CA -1.265 60.032 61.300 -0.004 0.000 1.017 27 I CB 2.367 40.373 38.000 0.010 0.000 1.226 27 I HN 0.416 nan 8.210 nan 0.000 0.443 28 E N 2.649 122.856 120.200 0.011 0.000 2.081 28 E HA 0.652 5.003 4.350 0.000 0.000 0.276 28 E C -1.080 175.530 176.600 0.016 0.000 0.950 28 E CA -0.725 55.681 56.400 0.009 0.000 0.776 28 E CB 1.484 31.191 29.700 0.012 0.000 1.094 28 E HN 0.817 nan 8.360 nan 0.000 0.402 29 A N 4.415 127.239 122.820 0.006 0.000 2.337 29 A HA 0.425 4.745 4.320 0.000 0.000 0.329 29 A C -0.911 176.662 177.584 -0.018 0.000 1.146 29 A CA -0.783 51.256 52.037 0.004 0.000 0.800 29 A CB 0.934 19.938 19.000 0.008 0.000 1.220 29 A HN 0.675 nan 8.150 nan 0.000 0.472 30 L N 2.835 124.031 121.223 -0.044 0.000 2.410 30 L HA 0.355 4.695 4.340 0.000 0.000 0.273 30 L C -0.528 176.305 176.870 -0.061 0.000 1.144 30 L CA 0.221 55.019 54.840 -0.070 0.000 0.863 30 L CB 0.043 42.021 42.059 -0.135 0.000 1.140 30 L HN 0.568 nan 8.230 nan 0.000 0.463 31 L N 5.478 126.674 121.223 -0.044 0.000 2.325 31 L HA 0.286 4.626 4.340 0.000 0.000 0.284 31 L C -0.391 176.452 176.870 -0.046 0.000 1.089 31 L CA -0.007 54.812 54.840 -0.036 0.000 0.836 31 L CB 0.364 42.412 42.059 -0.019 0.000 1.184 31 L HN 0.613 nan 8.230 nan 0.000 0.444 32 D N 1.619 121.988 120.400 -0.051 0.000 2.420 32 D HA 0.105 4.745 4.640 0.000 0.000 0.255 32 D C 1.137 177.409 176.300 -0.047 0.000 1.185 32 D CA -0.395 53.567 54.000 -0.064 0.000 0.904 32 D CB 1.362 42.103 40.800 -0.098 0.000 1.102 32 D HN 0.553 nan 8.370 nan 0.000 0.534 33 T N -0.328 114.204 114.554 -0.036 0.000 3.051 33 T HA 0.015 4.365 4.350 0.000 0.000 0.269 33 T C 1.650 176.332 174.700 -0.031 0.000 1.127 33 T CA 0.676 62.760 62.100 -0.027 0.000 1.107 33 T CB 0.059 68.916 68.868 -0.018 0.000 0.898 33 T HN 0.304 nan 8.240 nan 0.000 0.517 34 G N 0.501 109.276 108.800 -0.042 0.000 3.141 34 G HA2 0.514 4.474 3.960 0.000 0.000 0.218 34 G HA3 0.514 4.474 3.960 0.000 0.000 0.218 34 G C 0.377 175.248 174.900 -0.050 0.000 1.170 34 G CA -0.029 45.046 45.100 -0.043 0.000 0.769 34 G HN 0.793 nan 8.290 nan 0.000 0.546 35 A N 0.439 123.227 122.820 -0.053 0.000 2.260 35 A HA 0.522 4.842 4.320 0.000 0.000 0.314 35 A C 0.708 178.265 177.584 -0.045 0.000 1.257 35 A CA -0.490 51.513 52.037 -0.058 0.000 0.871 35 A CB 0.817 19.778 19.000 -0.065 0.000 1.166 35 A HN 0.048 nan 8.150 nan 0.000 0.522 36 D N 1.675 122.047 120.400 -0.047 0.000 2.144 36 D HA -0.050 4.590 4.640 0.000 0.000 0.199 36 D C 0.495 176.776 176.300 -0.032 0.000 0.984 36 D CA 1.713 55.691 54.000 -0.037 0.000 0.834 36 D CB 0.064 40.839 40.800 -0.041 0.000 0.955 36 D HN 0.594 nan 8.370 nan 0.000 0.465 37 M N -0.636 118.940 119.600 -0.039 0.000 2.572 37 M HA 0.204 4.684 4.480 0.000 0.000 0.299 37 M C -0.453 175.839 176.300 -0.013 0.000 1.205 37 M CA -0.457 54.828 55.300 -0.025 0.000 0.876 37 M CB 2.755 35.336 32.600 -0.032 0.000 1.728 37 M HN -0.356 nan 8.290 nan 0.000 0.458 38 T N 1.814 116.375 114.554 0.012 0.000 2.919 38 T HA 0.396 4.746 4.350 0.000 0.000 0.302 38 T C -0.529 174.217 174.700 0.077 0.000 1.031 38 T CA -0.284 61.837 62.100 0.036 0.000 1.127 38 T CB 0.525 69.417 68.868 0.040 0.000 0.952 38 T HN 0.370 nan 8.240 nan 0.000 0.540 39 V N 5.204 125.191 119.914 0.122 0.000 2.487 39 V HA 0.592 4.712 4.120 0.000 0.000 0.298 39 V C 0.082 176.324 176.094 0.247 0.000 1.028 39 V CA -0.900 61.542 62.300 0.237 0.000 0.860 39 V CB 1.272 33.331 31.823 0.393 0.000 0.991 39 V HN 0.805 nan 8.190 nan 0.000 0.427 40 I N 2.327 123.050 120.570 0.255 0.000 2.846 40 I HA 0.769 4.940 4.170 0.000 0.000 0.307 40 I C -2.903 173.364 176.117 0.250 0.000 1.053 40 I CA -3.004 58.438 61.300 0.237 0.000 1.050 40 I CB 2.674 40.807 38.000 0.222 0.000 1.239 40 I HN 0.328 nan 8.210 nan 0.000 0.439 41 P HA 0.170 nan 4.420 nan 0.000 0.271 41 P C 0.588 178.012 177.300 0.206 0.000 1.216 41 P CA -0.186 63.006 63.100 0.152 0.000 0.771 41 P CB 0.877 32.641 31.700 0.107 0.000 0.864 42 I N 4.012 124.661 120.570 0.131 0.000 2.423 42 I HA -0.265 3.905 4.170 0.000 0.000 0.254 42 I C 1.893 178.137 176.117 0.211 0.000 1.151 42 I CA 1.512 62.914 61.300 0.170 0.000 1.421 42 I CB -0.952 37.057 38.000 0.016 0.000 1.079 42 I HN 0.406 nan 8.210 nan 0.000 0.431 43 A N -0.025 122.856 122.820 0.102 0.000 2.131 43 A HA -0.171 4.149 4.320 0.000 0.000 0.220 43 A C 2.255 179.852 177.584 0.021 0.000 1.158 43 A CA 1.610 53.678 52.037 0.051 0.000 0.665 43 A CB -0.957 18.054 19.000 0.018 0.000 0.795 43 A HN 0.546 nan 8.150 nan 0.000 0.460 44 L N -2.001 119.228 121.223 0.010 0.000 2.217 44 L HA -0.009 4.331 4.340 0.000 0.000 0.211 44 L C 0.591 177.225 176.870 -0.394 0.000 1.107 44 L CA 0.345 55.034 54.840 -0.252 0.000 0.783 44 L CB -0.297 41.501 42.059 -0.435 0.000 0.919 44 L HN 0.371 nan 8.230 nan 0.000 0.442 45 F N -1.405 118.528 119.950 -0.030 0.000 2.535 45 F HA 0.449 4.976 4.527 0.000 0.000 0.367 45 F C 0.695 176.482 175.800 -0.022 0.000 1.096 45 F CA -0.981 57.005 58.000 -0.025 0.000 1.088 45 F CB 0.860 39.851 39.000 -0.016 0.000 1.387 45 F HN -0.276 nan 8.300 nan 0.000 0.494 46 S N -1.640 114.183 115.700 0.205 0.000 2.709 46 S HA 0.374 4.844 4.470 0.000 0.000 0.302 46 S C -0.276 174.369 174.600 0.076 0.000 1.127 46 S CA -0.636 57.624 58.200 0.100 0.000 0.905 46 S CB 1.144 64.381 63.200 0.062 0.000 1.151 46 S HN 0.602 nan 8.310 nan 0.000 0.510 47 S N -0.513 115.211 115.700 0.040 0.000 3.361 47 S HA 0.133 4.603 4.470 0.000 0.000 0.246 47 S C 0.158 174.770 174.600 0.020 0.000 1.237 47 S CA -0.016 58.196 58.200 0.019 0.000 1.240 47 S CB -1.418 61.786 63.200 0.007 0.000 1.154 47 S HN 0.784 nan 8.310 nan 0.000 0.461 48 N N -0.470 118.250 118.700 0.033 0.000 2.142 48 N HA 0.115 4.855 4.740 0.000 0.000 0.233 48 N C -1.186 174.346 175.510 0.036 0.000 1.335 48 N CA -0.081 52.987 53.050 0.030 0.000 0.837 48 N CB 0.982 39.489 38.487 0.034 0.000 1.238 48 N HN 0.258 nan 8.380 nan 0.000 0.501 49 T N 1.839 116.413 114.554 0.034 0.000 2.792 49 T HA 0.397 4.747 4.350 0.000 0.000 0.280 49 T C -2.686 171.997 174.700 -0.029 0.000 0.990 49 T CA -1.030 61.084 62.100 0.023 0.000 0.960 49 T CB 1.901 70.809 68.868 0.067 0.000 0.939 49 T HN -0.001 nan 8.240 nan 0.000 0.439 50 P HA 0.407 nan 4.420 nan 0.000 0.281 50 P C -1.164 176.097 177.300 -0.066 0.000 1.286 50 P CA -0.373 62.705 63.100 -0.037 0.000 0.772 50 P CB 0.481 32.170 31.700 -0.018 0.000 0.862 51 L N 3.348 124.521 121.223 -0.084 0.000 2.333 51 L HA 0.422 4.762 4.340 0.000 0.000 0.280 51 L C 0.735 177.568 176.870 -0.060 0.000 1.004 51 L CA -1.002 53.776 54.840 -0.104 0.000 0.820 51 L CB 2.064 44.023 42.059 -0.166 0.000 1.247 51 L HN 0.185 nan 8.230 nan 0.000 0.416 52 K N 2.314 122.688 120.400 -0.044 0.000 2.436 52 K HA 0.133 4.453 4.320 0.000 0.000 0.275 52 K C -0.223 176.370 176.600 -0.011 0.000 0.999 52 K CA -0.422 55.852 56.287 -0.021 0.000 0.980 52 K CB 0.440 32.932 32.500 -0.012 0.000 0.919 52 K HN 0.467 nan 8.250 nan 0.000 0.484 53 N N 1.294 119.993 118.700 -0.002 0.000 2.482 53 N HA 0.088 4.828 4.740 0.000 0.000 0.260 53 N C -0.040 175.484 175.510 0.024 0.000 1.236 53 N CA 0.507 53.565 53.050 0.013 0.000 0.938 53 N CB 1.389 39.883 38.487 0.011 0.000 1.128 53 N HN 0.525 nan 8.380 nan 0.000 0.448 54 T N -0.858 113.723 114.554 0.045 0.000 2.749 54 T HA 0.354 4.704 4.350 0.000 0.000 0.310 54 T C -1.319 173.418 174.700 0.061 0.000 1.496 54 T CA -0.564 61.561 62.100 0.043 0.000 1.006 54 T CB 0.688 69.577 68.868 0.036 0.000 1.457 54 T HN 0.285 nan 8.240 nan 0.000 0.497 55 S N 1.015 116.736 115.700 0.035 0.000 2.525 55 S HA 0.790 5.260 4.470 0.000 0.000 0.290 55 S C -0.873 173.724 174.600 -0.005 0.000 1.152 55 S CA -0.631 57.588 58.200 0.031 0.000 1.072 55 S CB 1.520 64.727 63.200 0.013 0.000 1.027 55 S HN 0.611 nan 8.310 nan 0.000 0.500 56 V N 3.238 123.144 119.914 -0.013 0.000 2.638 56 V HA 0.442 4.562 4.120 0.000 0.000 0.306 56 V C -0.868 175.185 176.094 -0.068 0.000 1.052 56 V CA -0.787 61.440 62.300 -0.120 0.000 0.885 56 V CB 1.783 33.362 31.823 -0.405 0.000 0.999 56 V HN 0.734 nan 8.190 nan 0.000 0.424 57 L N 4.540 125.720 121.223 -0.071 0.000 2.275 57 L HA 0.927 5.267 4.340 0.000 0.000 0.288 57 L C 0.383 177.233 176.870 -0.033 0.000 1.046 57 L CA 0.847 55.664 54.840 -0.038 0.000 0.805 57 L CB 0.908 42.948 42.059 -0.031 0.000 1.193 57 L HN 0.777 nan 8.230 nan 0.000 0.426 58 G N 2.422 111.224 108.800 0.003 0.000 3.135 58 G HA2 0.561 4.521 3.960 0.000 0.000 0.278 58 G HA3 0.561 4.521 3.960 0.000 0.000 0.278 58 G C 0.209 175.132 174.900 0.039 0.000 1.302 58 G CA -0.117 45.004 45.100 0.035 0.000 0.880 58 G HN 0.812 nan 8.290 nan 0.000 0.574 59 A N -0.804 122.053 122.820 0.062 0.000 1.902 59 A HA 0.164 4.485 4.320 0.000 0.000 0.217 59 A C 2.475 180.088 177.584 0.049 0.000 1.181 59 A CA 2.532 54.599 52.037 0.051 0.000 0.623 59 A CB -1.060 17.977 19.000 0.062 0.000 0.818 59 A HN 1.334 nan 8.150 nan 0.000 0.443 60 G N -1.471 107.368 108.800 0.065 0.000 2.471 60 G HA2 0.390 4.350 3.960 0.000 0.000 0.219 60 G HA3 0.390 4.350 3.960 0.000 0.000 0.219 60 G C 0.890 175.799 174.900 0.014 0.000 1.125 60 G CA 0.888 46.013 45.100 0.041 0.000 0.775 60 G HN 1.734 nan 8.290 nan 0.000 0.548 61 G N -1.709 107.098 108.800 0.011 0.000 2.381 61 G HA2 0.098 4.058 3.960 0.000 0.000 0.672 61 G HA3 0.098 4.058 3.960 0.000 0.000 0.672 61 G C -1.007 173.886 174.900 -0.012 0.000 1.324 61 G CA -0.649 44.450 45.100 -0.002 0.000 0.975 61 G HN 0.242 nan 8.290 nan 0.000 0.593 62 Q N 0.114 119.906 119.800 -0.013 0.000 2.274 62 Q HA 0.488 4.828 4.340 0.000 0.000 0.280 62 Q C 0.089 176.076 176.000 -0.021 0.000 1.047 62 Q CA 0.830 56.625 55.803 -0.013 0.000 0.907 62 Q CB 0.831 29.564 28.738 -0.010 0.000 1.171 62 Q HN 0.814 nan 8.270 nan 0.000 0.381 63 T N 3.224 117.771 114.554 -0.011 0.000 2.841 63 T HA 0.357 4.707 4.350 0.000 0.000 0.285 63 T C 0.100 174.835 174.700 0.058 0.000 0.991 63 T CA -0.440 61.647 62.100 -0.022 0.000 0.966 63 T CB 0.643 69.405 68.868 -0.176 0.000 0.962 63 T HN 0.587 nan 8.240 nan 0.000 0.438 64 Q N 2.652 122.482 119.800 0.049 0.000 2.319 64 Q HA 0.199 4.539 4.340 0.000 0.000 0.202 64 Q C 0.457 176.509 176.000 0.087 0.000 0.896 64 Q CA -0.010 55.833 55.803 0.067 0.000 0.942 64 Q CB 0.611 29.371 28.738 0.037 0.000 1.083 64 Q HN 0.557 nan 8.270 nan 0.000 0.510 65 D N -0.269 120.197 120.400 0.110 0.000 2.431 65 D HA 0.010 4.650 4.640 0.000 0.000 0.235 65 D C 1.471 177.853 176.300 0.136 0.000 0.980 65 D CA 0.685 54.758 54.000 0.121 0.000 0.912 65 D CB 0.365 41.254 40.800 0.148 0.000 1.056 65 D HN 0.282 nan 8.370 nan 0.000 0.494 66 H N -1.508 117.512 119.070 -0.082 0.000 2.363 66 H HA 0.046 4.602 4.556 0.000 0.000 0.301 66 H C 0.038 175.076 175.328 -0.484 0.000 1.074 66 H CA 0.404 56.240 56.048 -0.354 0.000 1.354 66 H CB 0.369 29.808 29.762 -0.539 0.000 1.397 66 H HN 0.088 nan 8.280 nan 0.000 0.516 67 F N 1.144 121.147 119.950 0.090 0.000 2.443 67 F HA 0.341 4.868 4.527 0.000 0.000 0.335 67 F C 0.414 176.216 175.800 0.004 0.000 1.104 67 F CA -0.864 57.159 58.000 0.038 0.000 1.013 67 F CB 1.426 40.460 39.000 0.057 0.000 1.136 67 F HN -0.217 nan 8.300 nan 0.000 0.470 68 K N 1.822 122.307 120.400 0.141 0.000 2.303 68 K HA 0.713 5.033 4.320 0.000 0.000 0.233 68 K C -1.618 175.012 176.600 0.051 0.000 1.046 68 K CA -1.152 55.168 56.287 0.056 0.000 0.895 68 K CB 2.438 34.918 32.500 -0.034 0.000 1.220 68 K HN 0.413 nan 8.250 nan 0.000 0.470 69 L N 0.844 122.066 121.223 -0.001 0.000 2.362 69 L HA 0.256 4.596 4.340 0.000 0.000 0.275 69 L C -0.172 176.668 176.870 -0.051 0.000 0.998 69 L CA -0.183 54.654 54.840 -0.005 0.000 0.820 69 L CB 1.797 43.858 42.059 0.004 0.000 1.270 69 L HN 0.795 nan 8.230 nan 0.000 0.415 70 T N -0.159 114.364 114.554 -0.051 0.000 2.900 70 T HA 0.204 4.554 4.350 0.000 0.000 0.307 70 T C 1.112 175.793 174.700 -0.031 0.000 1.065 70 T CA 0.087 62.143 62.100 -0.073 0.000 1.105 70 T CB 0.715 69.578 68.868 -0.009 0.000 0.979 70 T HN 0.716 nan 8.240 nan 0.000 0.544 71 S N 1.860 117.542 115.700 -0.029 0.000 2.456 71 S HA 0.195 4.665 4.470 0.000 0.000 0.224 71 S C 0.774 175.383 174.600 0.015 0.000 1.035 71 S CA -0.388 57.808 58.200 -0.006 0.000 0.940 71 S CB -0.136 63.058 63.200 -0.009 0.000 0.799 71 S HN 0.540 nan 8.310 nan 0.000 0.508 72 L N 2.701 123.944 121.223 0.032 0.000 2.357 72 L HA 0.573 4.913 4.340 0.000 0.000 0.273 72 L C -2.551 174.353 176.870 0.057 0.000 1.080 72 L CA -2.135 52.734 54.840 0.048 0.000 0.803 72 L CB 0.227 42.326 42.059 0.066 0.000 1.174 72 L HN -0.002 nan 8.230 nan 0.000 0.443 73 P HA 0.020 nan 4.420 nan 0.000 0.269 73 P C -0.671 176.669 177.300 0.067 0.000 1.211 73 P CA -0.022 63.108 63.100 0.049 0.000 0.781 73 P CB 0.571 32.292 31.700 0.035 0.000 0.877 74 V N 3.525 123.479 119.914 0.067 0.000 2.459 74 V HA 0.308 4.428 4.120 0.000 0.000 0.295 74 V C 0.098 176.218 176.094 0.043 0.000 1.029 74 V CA -0.616 61.728 62.300 0.073 0.000 0.874 74 V CB 1.353 33.237 31.823 0.101 0.000 0.985 74 V HN 0.301 nan 8.190 nan 0.000 0.438 75 L N 5.921 127.160 121.223 0.028 0.000 2.309 75 L HA 0.646 4.986 4.340 0.000 0.000 0.282 75 L C -0.574 176.299 176.870 0.006 0.000 1.036 75 L CA -0.333 54.516 54.840 0.015 0.000 0.806 75 L CB 1.552 43.616 42.059 0.008 0.000 1.220 75 L HN 0.501 nan 8.230 nan 0.000 0.429 76 I N 3.115 123.688 120.570 0.005 0.000 2.478 76 I HA 0.394 4.564 4.170 0.000 0.000 0.287 76 I C -0.339 175.774 176.117 -0.007 0.000 1.042 76 I CA -0.528 60.771 61.300 -0.001 0.000 1.067 76 I CB 2.408 40.412 38.000 0.006 0.000 1.233 76 I HN 0.546 nan 8.210 nan 0.000 0.431 77 R N 5.906 126.396 120.500 -0.017 0.000 2.338 77 R HA 0.686 5.026 4.340 0.000 0.000 0.317 77 R C -0.970 175.308 176.300 -0.037 0.000 0.968 77 R CA -0.590 55.496 56.100 -0.023 0.000 0.849 77 R CB 1.725 32.009 30.300 -0.027 0.000 1.128 77 R HN 0.504 nan 8.270 nan 0.000 0.448 78 L N 4.823 126.026 121.223 -0.033 0.000 2.375 78 L HA 0.385 4.725 4.340 0.000 0.000 0.268 78 L C -1.414 175.405 176.870 -0.085 0.000 1.058 78 L CA -2.225 52.589 54.840 -0.044 0.000 0.803 78 L CB 1.041 43.091 42.059 -0.015 0.000 1.212 78 L HN 0.373 nan 8.230 nan 0.000 0.451 79 P HA -0.247 nan 4.420 nan 0.000 0.209 79 P C 0.550 177.579 177.300 -0.452 0.000 1.080 79 P CA 1.936 64.814 63.100 -0.370 0.000 0.971 79 P CB 0.058 31.540 31.700 -0.363 0.000 0.768 80 F N -1.546 118.406 119.950 0.003 0.000 2.819 80 F HA 0.232 4.759 4.527 0.000 0.000 0.294 80 F C 0.887 176.688 175.800 0.002 0.000 1.166 80 F CA -0.238 57.764 58.000 0.002 0.000 1.374 80 F CB -0.007 38.994 39.000 0.001 0.000 0.956 80 F HN -0.315 nan 8.300 nan 0.000 0.509 81 R N -0.602 119.952 120.500 0.090 0.000 2.437 81 R HA 0.290 4.630 4.340 0.000 0.000 0.310 81 R C 0.900 177.219 176.300 0.033 0.000 0.955 81 R CA -0.304 55.834 56.100 0.063 0.000 0.851 81 R CB 1.773 32.100 30.300 0.045 0.000 1.161 81 R HN -0.026 nan 8.270 nan 0.000 0.446 82 T N 0.628 115.203 114.554 0.036 0.000 2.937 82 T HA -0.050 4.300 4.350 0.000 0.000 0.260 82 T C 0.850 175.559 174.700 0.015 0.000 1.051 82 T CA 1.089 63.204 62.100 0.025 0.000 1.141 82 T CB 0.123 69.009 68.868 0.029 0.000 0.879 82 T HN 0.740 nan 8.240 nan 0.000 0.459 83 T N 2.762 117.325 114.554 0.016 0.000 2.817 83 T HA 0.559 4.909 4.350 0.000 0.000 0.293 83 T C -2.571 172.135 174.700 0.009 0.000 0.964 83 T CA -1.662 60.446 62.100 0.012 0.000 1.085 83 T CB 1.159 70.034 68.868 0.013 0.000 0.921 83 T HN 0.144 nan 8.240 nan 0.000 0.502 84 P HA 0.356 nan 4.420 nan 0.000 0.274 84 P C -0.239 177.066 177.300 0.008 0.000 1.231 84 P CA -0.674 62.430 63.100 0.006 0.000 0.790 84 P CB 0.705 32.408 31.700 0.006 0.000 0.951 85 I N 1.142 121.716 120.570 0.008 0.000 2.529 85 I HA 0.098 4.268 4.170 0.000 0.000 0.284 85 I C 0.213 176.338 176.117 0.013 0.000 1.082 85 I CA -0.246 61.060 61.300 0.010 0.000 1.406 85 I CB 0.736 38.742 38.000 0.010 0.000 1.405 85 I HN 0.007 nan 8.210 nan 0.000 0.548 86 V N 7.723 127.646 119.914 0.014 0.000 2.407 86 V HA 0.363 4.483 4.120 0.000 0.000 0.291 86 V C -0.078 176.028 176.094 0.020 0.000 1.018 86 V CA -0.576 61.734 62.300 0.018 0.000 0.842 86 V CB 1.358 33.191 31.823 0.016 0.000 0.996 86 V HN 0.446 nan 8.190 nan 0.000 0.426 87 L N 4.059 125.298 121.223 0.026 0.000 2.275 87 L HA 0.361 4.702 4.340 0.000 0.000 0.288 87 L C 1.598 178.485 176.870 0.029 0.000 1.046 87 L CA -0.217 54.639 54.840 0.027 0.000 0.805 87 L CB 1.544 43.623 42.059 0.033 0.000 1.193 87 L HN 0.618 nan 8.230 nan 0.000 0.426 88 T N 0.412 114.980 114.554 0.022 0.000 2.720 88 T HA -0.100 4.250 4.350 0.000 0.000 0.268 88 T C 0.775 175.490 174.700 0.025 0.000 1.037 88 T CA 1.613 63.725 62.100 0.021 0.000 1.144 88 T CB -0.038 68.839 68.868 0.015 0.000 0.864 88 T HN 0.782 nan 8.240 nan 0.000 0.444 89 S N -0.542 115.172 115.700 0.025 0.000 2.607 89 S HA 0.673 5.143 4.470 0.000 0.000 0.273 89 S C -0.695 173.926 174.600 0.035 0.000 1.148 89 S CA -0.968 57.249 58.200 0.028 0.000 0.833 89 S CB 1.892 65.103 63.200 0.017 0.000 1.130 89 S HN 0.646 nan 8.310 nan 0.000 0.470 90 C N 0.574 119.902 119.300 0.046 0.000 3.291 90 C HA 0.785 5.245 4.460 0.000 0.000 0.316 90 C C -0.739 174.290 174.990 0.065 0.000 1.391 90 C CA -1.155 57.896 59.018 0.054 0.000 1.394 90 C CB -0.386 27.396 27.740 0.071 0.000 1.744 90 C HN 1.036 nan 8.230 nan 0.000 0.461 91 L N 1.573 122.846 121.223 0.084 0.000 2.439 91 L HA 0.590 4.930 4.340 0.000 0.000 0.269 91 L C -0.266 176.720 176.870 0.194 0.000 1.179 91 L CA -0.194 54.728 54.840 0.136 0.000 0.828 91 L CB 1.126 43.256 42.059 0.119 0.000 1.106 91 L HN 0.638 nan 8.230 nan 0.000 0.467 92 V N 1.034 121.070 119.914 0.202 0.000 2.443 92 V HA 0.176 4.296 4.120 0.000 0.000 0.293 92 V C -0.573 175.597 176.094 0.126 0.000 1.021 92 V CA -0.687 61.692 62.300 0.131 0.000 0.848 92 V CB 1.654 33.435 31.823 -0.070 0.000 0.998 92 V HN 0.612 nan 8.190 nan 0.000 0.424 93 D N 3.536 123.993 120.400 0.094 0.000 2.365 93 D HA 0.168 4.808 4.640 0.000 0.000 0.237 93 D C 1.337 177.476 176.300 -0.268 0.000 1.190 93 D CA 0.152 54.018 54.000 -0.223 0.000 0.867 93 D CB 1.723 42.392 40.800 -0.219 0.000 1.050 93 D HN 0.710 nan 8.370 nan 0.000 0.491 94 T N 0.732 115.084 114.554 -0.337 0.000 3.100 94 T HA 0.063 4.413 4.350 0.000 0.000 0.253 94 T C 1.349 175.860 174.700 -0.315 0.000 1.118 94 T CA 0.388 62.337 62.100 -0.252 0.000 1.058 94 T CB 0.352 69.101 68.868 -0.198 0.000 0.953 94 T HN 0.272 nan 8.240 nan 0.000 0.515 95 K N 0.725 120.843 120.400 -0.470 0.000 2.267 95 K HA 0.210 4.530 4.320 0.000 0.000 0.213 95 K C 1.139 177.487 176.600 -0.420 0.000 1.060 95 K CA 0.162 56.155 56.287 -0.491 0.000 0.935 95 K CB 0.357 32.403 32.500 -0.757 0.000 1.096 95 K HN 0.078 nan 8.250 nan 0.000 0.468 96 N N 1.751 120.119 118.700 -0.552 0.000 2.280 96 N HA 0.032 4.772 4.740 0.000 0.000 0.192 96 N C -0.561 174.773 175.510 -0.292 0.000 1.109 96 N CA 0.143 52.907 53.050 -0.477 0.000 0.855 96 N CB 0.272 38.285 38.487 -0.789 0.000 0.974 96 N HN 0.207 nan 8.380 nan 0.000 0.482 97 N N 1.159 119.713 118.700 -0.244 0.000 2.701 97 N HA -0.178 4.562 4.740 0.000 0.000 0.250 97 N C -0.552 175.022 175.510 0.107 0.000 1.046 97 N CA 0.708 53.725 53.050 -0.056 0.000 0.733 97 N CB -1.012 37.460 38.487 -0.026 0.000 0.973 97 N HN 0.480 nan 8.380 nan 0.000 0.541 98 W N 0.131 121.451 121.300 0.032 0.000 2.298 98 W HA 0.723 5.383 4.660 0.000 0.000 0.358 98 W C -0.370 176.196 176.519 0.078 0.000 1.241 98 W CA -1.941 55.436 57.345 0.055 0.000 1.385 98 W CB 0.290 29.788 29.460 0.064 0.000 1.225 98 W HN 0.142 nan 8.180 nan 0.000 0.654 99 A N 2.561 125.591 122.820 0.349 0.000 2.385 99 A HA 0.753 5.073 4.320 0.000 0.000 0.290 99 A C -1.613 176.004 177.584 0.054 0.000 1.094 99 A CA -0.754 51.396 52.037 0.188 0.000 0.729 99 A CB 0.287 19.363 19.000 0.125 0.000 1.194 99 A HN 0.648 nan 8.150 nan 0.000 0.442 100 I N 3.580 124.177 120.570 0.045 0.000 2.500 100 I HA 0.300 4.470 4.170 0.000 0.000 0.286 100 I C -0.695 175.419 176.117 -0.005 0.000 1.063 100 I CA -0.309 60.965 61.300 -0.043 0.000 1.062 100 I CB 1.938 39.864 38.000 -0.123 0.000 1.223 100 I HN 0.540 nan 8.210 nan 0.000 0.435 101 I N 5.669 126.229 120.570 -0.017 0.000 2.363 101 I HA 0.275 4.445 4.170 0.000 0.000 0.292 101 I C 0.997 177.104 176.117 -0.018 0.000 1.075 101 I CA 0.200 61.497 61.300 -0.006 0.000 1.333 101 I CB 0.816 38.812 38.000 -0.006 0.000 1.415 101 I HN 0.666 nan 8.210 nan 0.000 0.502 102 G N 5.404 114.198 108.800 -0.011 0.000 2.642 102 G HA2 0.335 4.295 3.960 0.000 0.000 0.291 102 G HA3 0.335 4.295 3.960 0.000 0.000 0.291 102 G C 0.751 175.643 174.900 -0.013 0.000 1.345 102 G CA -0.551 44.538 45.100 -0.020 0.000 1.043 102 G HN 0.581 nan 8.290 nan 0.000 0.528 103 R N -0.270 120.221 120.500 -0.015 0.000 2.148 103 R HA -0.073 4.267 4.340 0.000 0.000 0.227 103 R C 2.147 178.444 176.300 -0.005 0.000 1.103 103 R CA 1.461 57.555 56.100 -0.010 0.000 0.983 103 R CB -0.111 30.182 30.300 -0.011 0.000 0.874 103 R HN 0.712 nan 8.270 nan 0.000 0.451 104 D N 1.058 121.456 120.400 -0.004 0.000 2.104 104 D HA -0.194 4.446 4.640 0.000 0.000 0.194 104 D C 1.688 177.991 176.300 0.005 0.000 0.994 104 D CA 1.707 55.708 54.000 0.001 0.000 0.830 104 D CB -0.428 40.374 40.800 0.003 0.000 0.959 104 D HN 0.174 nan 8.370 nan 0.000 0.452 105 A N 0.481 123.304 122.820 0.006 0.000 1.897 105 A HA 0.050 4.370 4.320 0.000 0.000 0.215 105 A C 2.588 180.175 177.584 0.005 0.000 1.181 105 A CA 1.011 53.052 52.037 0.007 0.000 0.620 105 A CB -0.869 18.136 19.000 0.009 0.000 0.821 105 A HN 0.266 nan 8.150 nan 0.000 0.443 106 L N -0.617 120.607 121.223 0.003 0.000 2.083 106 L HA -0.246 4.094 4.340 0.000 0.000 0.209 106 L C 2.849 179.722 176.870 0.005 0.000 1.083 106 L CA 1.726 56.569 54.840 0.003 0.000 0.752 106 L CB -0.504 41.555 42.059 0.001 0.000 0.899 106 L HN 0.598 nan 8.230 nan 0.000 0.433 107 Q N 0.077 119.879 119.800 0.004 0.000 2.096 107 Q HA -0.273 4.067 4.340 0.000 0.000 0.204 107 Q C 2.212 178.215 176.000 0.006 0.000 0.982 107 Q CA 1.742 57.548 55.803 0.005 0.000 0.850 107 Q CB -0.009 28.732 28.738 0.003 0.000 0.901 107 Q HN 0.558 nan 8.270 nan 0.000 0.422 108 Q N -0.666 119.138 119.800 0.006 0.000 2.167 108 Q HA -0.120 4.220 4.340 0.000 0.000 0.202 108 Q C 2.030 178.035 176.000 0.008 0.000 0.970 108 Q CA 1.355 57.163 55.803 0.007 0.000 0.855 108 Q CB 0.090 28.832 28.738 0.008 0.000 0.911 108 Q HN 0.639 nan 8.270 nan 0.000 0.438 109 C N -0.879 118.426 119.300 0.008 0.000 2.614 109 C HA 0.326 4.786 4.460 0.000 0.000 0.299 109 C C 0.262 175.257 174.990 0.009 0.000 1.293 109 C CA -0.710 58.313 59.018 0.010 0.000 1.713 109 C CB -1.041 26.706 27.740 0.011 0.000 1.890 109 C HN 0.438 nan 8.230 nan 0.000 0.602 110 Q N 0.409 120.213 119.800 0.008 0.000 2.475 110 Q HA -0.144 4.196 4.340 0.000 0.000 0.280 110 Q C 0.682 176.687 176.000 0.008 0.000 1.234 110 Q CA 0.638 56.445 55.803 0.007 0.000 0.873 110 Q CB -1.762 26.979 28.738 0.005 0.000 1.256 110 Q HN 0.965 nan 8.270 nan 0.000 0.475 111 G N 0.303 109.109 108.800 0.010 0.000 2.441 111 G HA2 0.425 4.385 3.960 0.000 0.000 0.243 111 G HA3 0.425 4.385 3.960 0.000 0.000 0.243 111 G C 0.233 175.143 174.900 0.016 0.000 1.281 111 G CA 0.219 45.326 45.100 0.013 0.000 0.854 111 G HN 0.474 nan 8.290 nan 0.000 0.560 112 V N 0.852 120.780 119.914 0.025 0.000 3.040 112 V HA 0.702 4.822 4.120 0.000 0.000 0.312 112 V C -0.067 176.059 176.094 0.053 0.000 1.115 112 V CA -1.424 60.899 62.300 0.037 0.000 0.998 112 V CB 1.798 33.648 31.823 0.045 0.000 1.042 112 V HN 0.616 nan 8.190 nan 0.000 0.433 113 L N 2.747 124.004 121.223 0.056 0.000 2.350 113 L HA 0.509 4.849 4.340 0.000 0.000 0.275 113 L C -1.104 175.846 176.870 0.134 0.000 1.099 113 L CA -0.496 54.384 54.840 0.067 0.000 0.808 113 L CB 1.316 43.392 42.059 0.028 0.000 1.149 113 L HN 0.868 nan 8.230 nan 0.000 0.442 114 Y N 4.670 124.967 120.300 -0.005 0.000 2.326 114 Y HA 0.512 5.062 4.550 0.000 0.000 0.329 114 Y C -1.276 174.622 175.900 -0.004 0.000 0.973 114 Y CA -0.988 57.109 58.100 -0.004 0.000 1.162 114 Y CB 1.036 39.495 38.460 -0.003 0.000 1.147 114 Y HN 0.286 nan 8.280 nan 0.000 0.456 115 L N 8.806 129.677 121.223 -0.587 0.000 2.294 115 L HA 0.509 4.849 4.340 0.000 0.000 0.283 115 L C -1.964 174.416 176.870 -0.817 0.000 1.015 115 L CA -1.924 52.586 54.840 -0.550 0.000 0.831 115 L CB 0.922 42.830 42.059 -0.251 0.000 1.217 115 L HN 0.560 nan 8.230 nan 0.000 0.420 116 P HA 0.000 nan 4.420 nan 0.000 0.216 116 P CA 0.000 62.794 63.100 -0.510 0.000 0.800 116 P CB 0.000 31.589 31.700 -0.185 0.000 0.726