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 2uul_1_R DATA FIRST_RESID 1 DATA SEQUENCE MFDAFTKVAA QADTRGEMVS VAQIDALSQM VAEANKRLDA VNRITANAST DATA SEQUENCE VVSNAARALF AEQPQLIAPG GNAYTSNRMA ACLRDMEIIL RYVTYAVFAG DATA SEQUENCE DASALEDRCL NGLRETYSAL GTPGSSVAVG VGKMKEAALA IVNDPAGITP DATA SEQUENCE GDCSALASEI AGYFDRAAAA VS 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.062 176.300 -0.396 0.000 1.140 1 M CA 0.000 55.094 55.300 -0.343 0.000 0.988 1 M CB 0.000 32.511 32.600 -0.148 0.000 1.302 2 F N 1.275 121.230 119.950 0.009 0.000 2.425 2 F HA 0.679 5.206 4.527 0.000 0.000 0.331 2 F C 0.319 176.128 175.800 0.015 0.000 1.085 2 F CA -0.119 57.892 58.000 0.018 0.000 1.028 2 F CB 1.072 40.082 39.000 0.017 0.000 1.177 2 F HN 0.765 nan 8.300 nan 0.000 0.487 3 D N 0.583 121.117 120.400 0.223 0.000 2.440 3 D HA 0.489 5.129 4.640 0.000 0.000 0.258 3 D C 0.917 177.242 176.300 0.042 0.000 1.092 3 D CA -0.527 53.538 54.000 0.108 0.000 1.016 3 D CB 0.738 41.593 40.800 0.091 0.000 1.141 3 D HN 0.527 nan 8.370 nan 0.000 0.552 4 A N -0.311 122.425 122.820 -0.139 0.000 1.948 4 A HA -0.157 4.163 4.320 0.000 0.000 0.220 4 A C 1.848 179.313 177.584 -0.200 0.000 1.177 4 A CA 1.360 53.262 52.037 -0.225 0.000 0.636 4 A CB -1.068 17.704 19.000 -0.379 0.000 0.815 4 A HN 0.529 nan 8.150 nan 0.000 0.449 5 F N -0.169 119.790 119.950 0.014 0.000 2.022 5 F HA -0.090 4.437 4.527 0.000 0.000 0.293 5 F C 2.807 178.607 175.800 0.001 0.000 1.142 5 F CA 1.677 59.679 58.000 0.003 0.000 1.177 5 F CB -1.490 37.515 39.000 0.008 0.000 0.982 5 F HN 0.072 nan 8.300 nan 0.000 0.473 6 T N 0.011 114.737 114.554 0.286 0.000 2.714 6 T HA -0.304 4.046 4.350 0.000 0.000 0.268 6 T C 1.970 176.696 174.700 0.044 0.000 1.036 6 T CA 2.024 64.246 62.100 0.204 0.000 1.148 6 T CB -0.330 68.710 68.868 0.287 0.000 0.856 6 T HN 0.018 nan 8.240 nan 0.000 0.462 7 K N 1.119 121.498 120.400 -0.035 0.000 2.032 7 K HA -0.060 4.260 4.320 0.000 0.000 0.209 7 K C 1.972 178.406 176.600 -0.277 0.000 1.048 7 K CA 1.477 57.554 56.287 -0.350 0.000 0.927 7 K CB -0.803 31.595 32.500 -0.169 0.000 0.712 7 K HN 0.271 nan 8.250 nan 0.000 0.441 8 V N 0.952 120.804 119.914 -0.105 0.000 2.283 8 V HA -0.127 3.993 4.120 0.000 0.000 0.243 8 V C 2.395 178.455 176.094 -0.056 0.000 1.039 8 V CA 1.873 64.132 62.300 -0.068 0.000 1.016 8 V CB -1.175 30.645 31.823 -0.005 0.000 0.650 8 V HN 0.459 nan 8.190 nan 0.000 0.449 9 A N 0.130 122.946 122.820 -0.008 0.000 2.131 9 A HA -0.099 4.221 4.320 0.000 0.000 0.220 9 A C 2.348 179.912 177.584 -0.033 0.000 1.158 9 A CA 1.921 53.958 52.037 0.000 0.000 0.665 9 A CB -0.648 18.373 19.000 0.036 0.000 0.795 9 A HN 0.596 nan 8.150 nan 0.000 0.460 10 A N -0.720 122.029 122.820 -0.119 0.000 1.898 10 A HA -0.181 4.139 4.320 0.000 0.000 0.216 10 A C 2.084 179.585 177.584 -0.139 0.000 1.181 10 A CA 1.651 53.575 52.037 -0.187 0.000 0.620 10 A CB -0.421 18.210 19.000 -0.615 0.000 0.819 10 A HN 0.607 nan 8.150 nan 0.000 0.442 11 Q N -0.910 118.802 119.800 -0.148 0.000 2.269 11 Q HA 0.177 4.517 4.340 0.000 0.000 0.201 11 Q C 2.218 178.187 176.000 -0.053 0.000 0.946 11 Q CA 0.873 56.617 55.803 -0.097 0.000 0.877 11 Q CB -0.213 28.468 28.738 -0.096 0.000 0.963 11 Q HN 0.669 nan 8.270 nan 0.000 0.472 12 A N 0.914 123.707 122.820 -0.045 0.000 1.929 12 A HA -0.200 4.120 4.320 0.000 0.000 0.216 12 A C 1.657 179.232 177.584 -0.016 0.000 1.176 12 A CA 1.666 53.688 52.037 -0.024 0.000 0.628 12 A CB -0.411 18.579 19.000 -0.017 0.000 0.816 12 A HN 0.374 nan 8.150 nan 0.000 0.444 13 D N -0.476 119.915 120.400 -0.014 0.000 2.178 13 D HA -0.147 4.493 4.640 0.000 0.000 0.202 13 D C 2.010 178.309 176.300 -0.002 0.000 0.974 13 D CA 2.032 56.031 54.000 -0.002 0.000 0.841 13 D CB -0.112 40.693 40.800 0.008 0.000 0.953 13 D HN 0.447 nan 8.370 nan 0.000 0.478 14 T N -2.532 112.017 114.554 -0.007 0.000 3.072 14 T HA 0.004 4.354 4.350 0.000 0.000 0.266 14 T C 1.735 176.432 174.700 -0.004 0.000 1.127 14 T CA 0.341 62.439 62.100 -0.003 0.000 1.107 14 T CB -0.190 68.676 68.868 -0.003 0.000 0.910 14 T HN 0.091 nan 8.240 nan 0.000 0.513 15 R N 0.300 120.796 120.500 -0.008 0.000 2.312 15 R HA 0.314 4.654 4.340 0.000 0.000 0.205 15 R C 1.757 178.055 176.300 -0.004 0.000 0.904 15 R CA 0.371 56.467 56.100 -0.006 0.000 1.052 15 R CB 0.080 30.374 30.300 -0.009 0.000 1.014 15 R HN 0.531 nan 8.270 nan 0.000 0.503 16 G N 2.014 110.812 108.800 -0.003 0.000 2.179 16 G HA2 -0.307 3.653 3.960 0.000 0.000 0.257 16 G HA3 -0.307 3.653 3.960 0.000 0.000 0.257 16 G C -0.245 174.654 174.900 -0.002 0.000 1.010 16 G CA 0.416 45.516 45.100 -0.001 0.000 0.736 16 G HN 0.381 nan 8.290 nan 0.000 0.513 17 E N -0.436 119.762 120.200 -0.004 0.000 2.235 17 E HA 0.685 5.035 4.350 0.000 0.000 0.265 17 E C 1.039 177.637 176.600 -0.004 0.000 0.940 17 E CA -0.944 55.454 56.400 -0.004 0.000 0.819 17 E CB 0.838 30.535 29.700 -0.005 0.000 1.206 17 E HN 0.369 nan 8.360 nan 0.000 0.409 18 M N 0.968 120.566 119.600 -0.003 0.000 2.227 18 M HA 0.289 4.769 4.480 0.000 0.000 0.316 18 M C -0.168 176.130 176.300 -0.002 0.000 1.144 18 M CA -0.908 54.390 55.300 -0.003 0.000 1.121 18 M CB 0.490 33.088 32.600 -0.003 0.000 1.440 18 M HN 0.167 nan 8.290 nan 0.000 0.473 19 V N 1.357 121.271 119.914 -0.001 0.000 2.637 19 V HA 0.093 4.213 4.120 0.000 0.000 0.296 19 V C 0.773 176.869 176.094 0.002 0.000 1.046 19 V CA -0.570 61.731 62.300 0.002 0.000 1.066 19 V CB 0.763 32.592 31.823 0.010 0.000 0.968 19 V HN 1.024 nan 8.190 nan 0.000 0.483 20 S N 3.769 119.470 115.700 0.001 0.000 2.576 20 S HA 0.182 4.652 4.470 0.000 0.000 0.276 20 S C 1.273 175.875 174.600 0.004 0.000 1.339 20 S CA -0.239 57.962 58.200 0.001 0.000 1.039 20 S CB 1.408 64.608 63.200 -0.000 0.000 0.902 20 S HN 0.873 nan 8.310 nan 0.000 0.516 21 V N 2.076 121.991 119.914 0.003 0.000 2.277 21 V HA -0.296 3.824 4.120 0.000 0.000 0.255 21 V C 2.923 179.021 176.094 0.006 0.000 1.074 21 V CA 2.329 64.631 62.300 0.004 0.000 1.058 21 V CB -2.456 29.369 31.823 0.002 0.000 0.656 21 V HN 1.078 nan 8.190 nan 0.000 0.449 22 A N 1.107 123.929 122.820 0.004 0.000 1.869 22 A HA -0.360 3.960 4.320 0.000 0.000 0.218 22 A C 2.273 179.862 177.584 0.008 0.000 1.203 22 A CA 2.802 54.842 52.037 0.005 0.000 0.638 22 A CB -0.774 18.227 19.000 0.002 0.000 0.831 22 A HN 0.787 nan 8.150 nan 0.000 0.450 23 Q N -0.629 119.177 119.800 0.008 0.000 2.172 23 Q HA 0.039 4.379 4.340 0.000 0.000 0.200 23 Q C 2.017 178.033 176.000 0.027 0.000 0.964 23 Q CA 1.218 57.029 55.803 0.013 0.000 0.855 23 Q CB -0.353 28.390 28.738 0.009 0.000 0.918 23 Q HN 0.741 nan 8.270 nan 0.000 0.444 24 I N 1.550 122.136 120.570 0.025 0.000 2.226 24 I HA -0.251 3.919 4.170 0.000 0.000 0.245 24 I C 1.491 177.630 176.117 0.037 0.000 1.100 24 I CA 1.071 62.392 61.300 0.035 0.000 1.374 24 I CB -0.326 37.686 38.000 0.020 0.000 1.057 24 I HN 0.142 nan 8.210 nan 0.000 0.413 25 D N 1.331 121.746 120.400 0.024 0.000 2.097 25 D HA -0.146 4.494 4.640 0.000 0.000 0.195 25 D C 2.300 178.614 176.300 0.024 0.000 0.989 25 D CA 1.637 55.650 54.000 0.021 0.000 0.827 25 D CB -0.258 40.550 40.800 0.013 0.000 0.966 25 D HN 0.312 nan 8.370 nan 0.000 0.456 26 A N 0.501 123.333 122.820 0.019 0.000 1.948 26 A HA -0.166 4.154 4.320 0.000 0.000 0.220 26 A C 2.370 179.967 177.584 0.022 0.000 1.177 26 A CA 1.113 53.159 52.037 0.014 0.000 0.636 26 A CB -0.761 18.243 19.000 0.007 0.000 0.815 26 A HN 0.240 nan 8.150 nan 0.000 0.449 27 L N -1.480 119.773 121.223 0.049 0.000 2.131 27 L HA -0.073 4.267 4.340 0.000 0.000 0.206 27 L C 2.815 179.753 176.870 0.113 0.000 1.087 27 L CA 1.171 56.068 54.840 0.095 0.000 0.767 27 L CB -0.318 41.854 42.059 0.188 0.000 0.917 27 L HN 0.395 nan 8.230 nan 0.000 0.441 28 S N -0.763 114.987 115.700 0.084 0.000 2.419 28 S HA -0.251 4.219 4.470 0.000 0.000 0.235 28 S C 1.899 176.529 174.600 0.050 0.000 1.019 28 S CA 1.395 59.636 58.200 0.069 0.000 0.982 28 S CB -0.035 63.190 63.200 0.042 0.000 0.789 28 S HN 0.411 nan 8.310 nan 0.000 0.490 29 Q N -0.138 119.682 119.800 0.033 0.000 2.062 29 Q HA -0.009 4.331 4.340 0.000 0.000 0.196 29 Q C 2.268 178.275 176.000 0.010 0.000 0.967 29 Q CA 0.906 56.719 55.803 0.018 0.000 0.832 29 Q CB -0.266 28.477 28.738 0.009 0.000 0.899 29 Q HN 0.479 nan 8.270 nan 0.000 0.442 30 M N 0.540 120.140 119.600 0.001 0.000 2.144 30 M HA -0.173 4.307 4.480 0.000 0.000 0.260 30 M C 1.851 178.147 176.300 -0.007 0.000 1.067 30 M CA 1.327 56.611 55.300 -0.026 0.000 1.095 30 M CB -0.369 32.188 32.600 -0.071 0.000 1.365 30 M HN 0.178 nan 8.290 nan 0.000 0.406 31 V N 0.921 120.860 119.914 0.043 0.000 2.343 31 V HA -0.248 3.872 4.120 0.000 0.000 0.247 31 V C 2.768 178.885 176.094 0.039 0.000 1.051 31 V CA 1.861 64.205 62.300 0.073 0.000 1.036 31 V CB -1.465 30.434 31.823 0.128 0.000 0.654 31 V HN 0.644 nan 8.190 nan 0.000 0.451 32 A N -0.103 122.735 122.820 0.029 0.000 1.940 32 A HA -0.211 4.109 4.320 0.000 0.000 0.219 32 A C 1.927 179.518 177.584 0.012 0.000 1.176 32 A CA 1.651 53.700 52.037 0.019 0.000 0.631 32 A CB -0.377 18.632 19.000 0.016 0.000 0.814 32 A HN 0.680 nan 8.150 nan 0.000 0.446 33 E N 0.164 120.367 120.200 0.005 0.000 2.445 33 E HA 0.290 4.640 4.350 0.000 0.000 0.189 33 E C 1.730 178.328 176.600 -0.003 0.000 1.069 33 E CA 0.271 56.671 56.400 0.001 0.000 0.871 33 E CB -0.198 29.500 29.700 -0.003 0.000 0.991 33 E HN 0.588 nan 8.360 nan 0.000 0.481 34 A N 2.453 125.272 122.820 -0.003 0.000 1.909 34 A HA -0.360 3.960 4.320 0.000 0.000 0.221 34 A C 1.912 179.494 177.584 -0.004 0.000 1.223 34 A CA 2.282 54.312 52.037 -0.012 0.000 0.658 34 A CB -0.833 18.169 19.000 0.004 0.000 0.831 34 A HN 0.340 nan 8.150 nan 0.000 0.462 35 N N -0.838 117.867 118.700 0.008 0.000 2.120 35 N HA -0.143 4.597 4.740 0.000 0.000 0.188 35 N C 1.793 177.316 175.510 0.021 0.000 1.024 35 N CA 1.426 54.486 53.050 0.017 0.000 0.852 35 N CB -0.162 38.336 38.487 0.018 0.000 1.003 35 N HN 0.551 nan 8.380 nan 0.000 0.424 36 K N 0.961 121.371 120.400 0.017 0.000 2.009 36 K HA -0.165 4.155 4.320 0.000 0.000 0.210 36 K C 2.110 178.727 176.600 0.030 0.000 1.049 36 K CA 0.901 57.200 56.287 0.021 0.000 0.929 36 K CB -0.177 32.332 32.500 0.015 0.000 0.714 36 K HN 0.148 nan 8.250 nan 0.000 0.440 37 R N 1.441 121.953 120.500 0.021 0.000 2.112 37 R HA -0.189 4.151 4.340 0.000 0.000 0.242 37 R C 2.303 178.637 176.300 0.057 0.000 1.137 37 R CA 1.655 57.773 56.100 0.030 0.000 0.944 37 R CB -0.454 29.841 30.300 -0.008 0.000 0.857 37 R HN 0.141 nan 8.270 nan 0.000 0.435 38 L N 0.597 121.849 121.223 0.048 0.000 2.042 38 L HA -0.240 4.100 4.340 0.000 0.000 0.210 38 L C 2.237 179.163 176.870 0.094 0.000 1.076 38 L CA 1.490 56.385 54.840 0.091 0.000 0.749 38 L CB -0.710 41.396 42.059 0.078 0.000 0.893 38 L HN 0.333 nan 8.230 nan 0.000 0.432 39 D N 0.429 120.869 120.400 0.066 0.000 2.106 39 D HA -0.237 4.403 4.640 0.000 0.000 0.191 39 D C 2.211 178.551 176.300 0.068 0.000 0.997 39 D CA 1.689 55.725 54.000 0.059 0.000 0.834 39 D CB -0.067 40.758 40.800 0.043 0.000 0.956 39 D HN 0.356 nan 8.370 nan 0.000 0.448 40 A N 1.052 123.916 122.820 0.073 0.000 1.894 40 A HA -0.256 4.064 4.320 0.000 0.000 0.220 40 A C 2.640 180.287 177.584 0.106 0.000 1.237 40 A CA 2.297 54.387 52.037 0.089 0.000 0.660 40 A CB -1.073 17.985 19.000 0.097 0.000 0.835 40 A HN 0.189 nan 8.150 nan 0.000 0.461 41 V N 0.511 120.501 119.914 0.126 0.000 2.307 41 V HA -0.233 3.887 4.120 0.000 0.000 0.245 41 V C 2.464 178.614 176.094 0.094 0.000 1.045 41 V CA 2.401 64.782 62.300 0.136 0.000 1.024 41 V CB -1.060 30.898 31.823 0.226 0.000 0.651 41 V HN 0.818 nan 8.190 nan 0.000 0.449 42 N N 0.298 119.052 118.700 0.090 0.000 2.142 42 N HA -0.183 4.557 4.740 0.000 0.000 0.186 42 N C 1.935 177.474 175.510 0.047 0.000 1.023 42 N CA 1.611 54.698 53.050 0.062 0.000 0.852 42 N CB -0.207 38.317 38.487 0.061 0.000 0.998 42 N HN 0.322 nan 8.380 nan 0.000 0.424 43 R N -0.292 120.239 120.500 0.052 0.000 2.073 43 R HA 0.059 4.399 4.340 0.000 0.000 0.234 43 R C 2.191 178.518 176.300 0.046 0.000 1.134 43 R CA 1.535 57.662 56.100 0.044 0.000 0.952 43 R CB -0.273 30.053 30.300 0.044 0.000 0.850 43 R HN 0.317 nan 8.270 nan 0.000 0.433 44 I N -0.435 120.172 120.570 0.063 0.000 2.163 44 I HA -0.262 3.908 4.170 0.000 0.000 0.240 44 I C 2.101 178.243 176.117 0.042 0.000 1.081 44 I CA 1.408 62.750 61.300 0.070 0.000 1.353 44 I CB -0.463 37.605 38.000 0.114 0.000 1.054 44 I HN 0.199 nan 8.210 nan 0.000 0.407 45 T N 1.036 115.607 114.554 0.028 0.000 2.597 45 T HA -0.264 4.086 4.350 0.000 0.000 0.267 45 T C 1.890 176.592 174.700 0.004 0.000 1.053 45 T CA 1.796 63.896 62.100 0.001 0.000 1.165 45 T CB -0.491 68.373 68.868 -0.007 0.000 0.863 45 T HN 0.494 nan 8.240 nan 0.000 0.427 46 A N 0.927 123.755 122.820 0.013 0.000 2.259 46 A HA -0.011 4.309 4.320 0.000 0.000 0.212 46 A C 1.613 179.203 177.584 0.010 0.000 1.178 46 A CA 1.135 53.178 52.037 0.010 0.000 0.734 46 A CB -0.541 18.468 19.000 0.014 0.000 0.774 46 A HN 0.610 nan 8.150 nan 0.000 0.481 47 N N -1.530 117.178 118.700 0.013 0.000 2.238 47 N HA 0.373 5.113 4.740 0.000 0.000 0.235 47 N C 1.339 176.856 175.510 0.012 0.000 1.209 47 N CA 0.434 53.491 53.050 0.012 0.000 0.879 47 N CB 0.434 38.930 38.487 0.015 0.000 1.136 47 N HN 0.304 nan 8.380 nan 0.000 0.517 48 A N 0.792 123.617 122.820 0.008 0.000 1.881 48 A HA -0.289 4.031 4.320 0.000 0.000 0.219 48 A C 2.222 179.811 177.584 0.007 0.000 1.215 48 A CA 2.553 54.593 52.037 0.005 0.000 0.648 48 A CB -0.936 18.056 19.000 -0.014 0.000 0.832 48 A HN 0.428 nan 8.150 nan 0.000 0.455 49 S N -1.566 114.136 115.700 0.004 0.000 2.461 49 S HA -0.068 4.402 4.470 0.000 0.000 0.228 49 S C 1.731 176.335 174.600 0.008 0.000 1.005 49 S CA 1.464 59.668 58.200 0.006 0.000 0.942 49 S CB -0.867 62.337 63.200 0.005 0.000 0.776 49 S HN 0.574 nan 8.310 nan 0.000 0.514 50 T N 2.878 117.435 114.554 0.006 0.000 2.701 50 T HA -0.031 4.319 4.350 0.000 0.000 0.263 50 T C 1.958 176.658 174.700 0.000 0.000 1.040 50 T CA 1.356 63.458 62.100 0.003 0.000 1.147 50 T CB -0.824 68.045 68.868 0.002 0.000 0.865 50 T HN 0.264 nan 8.240 nan 0.000 0.426 51 V N 1.617 121.533 119.914 0.004 0.000 2.250 51 V HA -0.220 3.900 4.120 0.000 0.000 0.253 51 V C 2.696 178.790 176.094 0.000 0.000 1.065 51 V CA 1.761 64.063 62.300 0.003 0.000 1.039 51 V CB -1.015 30.823 31.823 0.025 0.000 0.647 51 V HN 0.321 nan 8.190 nan 0.000 0.446 52 V N 0.691 120.611 119.914 0.009 0.000 2.229 52 V HA -0.226 3.894 4.120 0.000 0.000 0.243 52 V C 2.739 178.829 176.094 -0.007 0.000 1.042 52 V CA 2.327 64.631 62.300 0.007 0.000 1.000 52 V CB -1.004 30.830 31.823 0.018 0.000 0.637 52 V HN 0.756 nan 8.190 nan 0.000 0.446 53 S N 0.958 116.661 115.700 0.005 0.000 2.359 53 S HA -0.284 4.186 4.470 0.000 0.000 0.224 53 S C 1.859 176.456 174.600 -0.006 0.000 1.035 53 S CA 1.971 60.179 58.200 0.013 0.000 1.018 53 S CB -0.819 62.394 63.200 0.022 0.000 0.876 53 S HN 0.575 nan 8.310 nan 0.000 0.448 54 N N 2.750 121.442 118.700 -0.013 0.000 2.104 54 N HA 0.017 4.757 4.740 0.000 0.000 0.190 54 N C 2.049 177.525 175.510 -0.058 0.000 1.024 54 N CA 1.634 54.668 53.050 -0.026 0.000 0.853 54 N CB -1.149 37.324 38.487 -0.023 0.000 1.008 54 N HN 0.647 nan 8.380 nan 0.000 0.424 55 A N 0.857 123.636 122.820 -0.070 0.000 1.908 55 A HA -0.020 4.300 4.320 0.000 0.000 0.218 55 A C 2.360 179.824 177.584 -0.200 0.000 1.181 55 A CA 2.116 54.088 52.037 -0.107 0.000 0.627 55 A CB -0.907 18.044 19.000 -0.081 0.000 0.818 55 A HN 0.334 nan 8.150 nan 0.000 0.445 56 A N -0.386 122.302 122.820 -0.219 0.000 1.898 56 A HA -0.140 4.180 4.320 0.000 0.000 0.216 56 A C 2.247 179.472 177.584 -0.598 0.000 1.181 56 A CA 1.745 53.494 52.037 -0.480 0.000 0.620 56 A CB -0.491 18.379 19.000 -0.216 0.000 0.819 56 A HN 0.587 nan 8.150 nan 0.000 0.442 57 R N -0.251 120.146 120.500 -0.172 0.000 2.073 57 R HA -0.100 4.240 4.340 0.000 0.000 0.234 57 R C 2.311 178.579 176.300 -0.052 0.000 1.134 57 R CA 1.601 57.696 56.100 -0.009 0.000 0.952 57 R CB -0.515 29.810 30.300 0.042 0.000 0.850 57 R HN 0.391 nan 8.270 nan 0.000 0.433 58 A N 1.445 124.210 122.820 -0.092 0.000 1.892 58 A HA -0.223 4.097 4.320 0.000 0.000 0.218 58 A C 2.103 179.619 177.584 -0.113 0.000 1.188 58 A CA 1.702 53.691 52.037 -0.080 0.000 0.631 58 A CB -0.816 18.137 19.000 -0.078 0.000 0.822 58 A HN 0.451 nan 8.150 nan 0.000 0.447 59 L N -1.441 119.638 121.223 -0.240 0.000 2.012 59 L HA -0.122 4.218 4.340 0.000 0.000 0.210 59 L C 2.156 178.950 176.870 -0.127 0.000 1.073 59 L CA 2.159 56.844 54.840 -0.258 0.000 0.748 59 L CB -0.745 41.047 42.059 -0.445 0.000 0.891 59 L HN 0.327 nan 8.230 nan 0.000 0.431 60 F N -0.003 119.948 119.950 0.000 0.000 2.259 60 F HA 0.066 4.593 4.527 0.000 0.000 0.298 60 F C 2.549 178.351 175.800 0.003 0.000 1.088 60 F CA 0.693 58.695 58.000 0.003 0.000 1.358 60 F CB -1.647 37.358 39.000 0.009 0.000 1.040 60 F HN 0.196 nan 8.300 nan 0.000 0.505 61 A N -0.240 122.676 122.820 0.160 0.000 1.902 61 A HA -0.217 4.103 4.320 0.000 0.000 0.217 61 A C 2.172 179.792 177.584 0.060 0.000 1.181 61 A CA 1.808 53.899 52.037 0.091 0.000 0.623 61 A CB -0.831 18.201 19.000 0.054 0.000 0.818 61 A HN 0.389 nan 8.150 nan 0.000 0.443 62 E N -0.866 119.358 120.200 0.039 0.000 2.208 62 E HA -0.071 4.279 4.350 0.000 0.000 0.193 62 E C 0.269 176.889 176.600 0.033 0.000 0.988 62 E CA 0.641 57.053 56.400 0.020 0.000 0.828 62 E CB 0.076 29.772 29.700 -0.006 0.000 0.763 62 E HN 0.670 nan 8.360 nan 0.000 0.478 63 Q N -0.604 119.234 119.800 0.064 0.000 3.429 63 Q HA 0.149 4.489 4.340 0.000 0.000 0.237 63 Q C -2.281 173.776 176.000 0.094 0.000 0.932 63 Q CA -1.417 54.426 55.803 0.068 0.000 0.731 63 Q CB 1.718 30.496 28.738 0.067 0.000 1.383 63 Q HN 0.107 nan 8.270 nan 0.000 0.446 64 P HA -0.171 nan 4.420 nan 0.000 0.229 64 P C 1.286 178.605 177.300 0.031 0.000 1.160 64 P CA 0.775 63.910 63.100 0.058 0.000 0.777 64 P CB 0.315 32.035 31.700 0.034 0.000 0.814 65 Q N 0.065 119.880 119.800 0.025 0.000 2.364 65 Q HA -0.096 4.244 4.340 0.000 0.000 0.207 65 Q C 1.751 177.757 176.000 0.011 0.000 0.970 65 Q CA 1.197 57.002 55.803 0.004 0.000 0.888 65 Q CB -1.335 27.404 28.738 0.002 0.000 0.951 65 Q HN 0.308 nan 8.270 nan 0.000 0.469 66 L N 0.745 121.994 121.223 0.043 0.000 2.156 66 L HA -0.030 4.310 4.340 0.000 0.000 0.208 66 L C 2.387 179.259 176.870 0.003 0.000 1.095 66 L CA 1.197 56.069 54.840 0.053 0.000 0.770 66 L CB -0.213 41.934 42.059 0.147 0.000 0.914 66 L HN 0.309 nan 8.230 nan 0.000 0.439 67 I N -3.998 116.554 120.570 -0.030 0.000 4.070 67 I HA 0.327 4.497 4.170 0.000 0.000 0.328 67 I C 1.170 177.290 176.117 0.005 0.000 1.298 67 I CA -0.447 60.817 61.300 -0.061 0.000 1.173 67 I CB -0.113 37.759 38.000 -0.214 0.000 1.051 67 I HN -0.080 nan 8.210 nan 0.000 0.409 68 A N 3.168 125.960 122.820 -0.046 0.000 2.565 68 A HA 0.255 4.575 4.320 0.000 0.000 0.237 68 A C -2.229 175.168 177.584 -0.313 0.000 1.053 68 A CA -0.581 51.378 52.037 -0.130 0.000 0.755 68 A CB -0.924 18.015 19.000 -0.101 0.000 0.980 68 A HN 0.173 nan 8.150 nan 0.000 0.506 69 P HA 0.199 nan 4.420 nan 0.000 0.264 69 P C 1.192 178.137 177.300 -0.591 0.000 1.183 69 P CA 1.935 64.181 63.100 -1.423 0.000 0.763 69 P CB 0.563 31.606 31.700 -1.095 0.000 0.807 70 G N 1.619 110.200 108.800 -0.365 0.000 2.299 70 G HA2 -0.180 3.780 3.960 0.000 0.000 0.237 70 G HA3 -0.180 3.780 3.960 0.000 0.000 0.237 70 G C 0.685 175.572 174.900 -0.022 0.000 1.027 70 G CA -0.098 44.943 45.100 -0.098 0.000 0.619 70 G HN 0.893 nan 8.290 nan 0.000 0.513 71 G N -0.413 108.370 108.800 -0.028 0.000 2.634 71 G HA2 0.388 4.348 3.960 0.000 0.000 0.255 71 G HA3 0.388 4.348 3.960 0.000 0.000 0.255 71 G C 0.807 175.744 174.900 0.062 0.000 1.205 71 G CA 0.521 45.631 45.100 0.017 0.000 0.884 71 G HN 0.373 nan 8.290 nan 0.000 0.549 72 N N 0.110 118.835 118.700 0.041 0.000 2.512 72 N HA -0.032 4.708 4.740 0.000 0.000 0.183 72 N C 1.685 177.217 175.510 0.038 0.000 1.073 72 N CA 0.677 53.750 53.050 0.038 0.000 0.911 72 N CB 0.053 38.549 38.487 0.016 0.000 0.964 72 N HN 0.433 nan 8.380 nan 0.000 0.447 73 A N -0.375 122.463 122.820 0.030 0.000 2.470 73 A HA 0.091 4.411 4.320 0.000 0.000 0.251 73 A C -0.033 177.523 177.584 -0.047 0.000 1.245 73 A CA -0.514 51.507 52.037 -0.026 0.000 0.932 73 A CB -0.175 18.772 19.000 -0.088 0.000 1.037 73 A HN 0.410 nan 8.150 nan 0.000 0.522 74 Y N 1.398 121.640 120.300 -0.097 0.000 2.304 74 Y HA 0.438 4.988 4.550 0.000 0.000 0.327 74 Y C 0.576 176.437 175.900 -0.064 0.000 1.209 74 Y CA 0.908 58.953 58.100 -0.092 0.000 1.299 74 Y CB 0.555 38.974 38.460 -0.069 0.000 1.249 74 Y HN 0.669 nan 8.280 nan 0.000 0.519 75 T N 2.402 116.466 114.554 -0.818 0.000 0.542 75 T HA -0.156 4.194 4.350 0.000 0.000 0.774 75 T C 0.391 174.916 174.700 -0.292 0.000 0.992 75 T CA 0.167 61.920 62.100 -0.577 0.000 4.076 75 T CB -1.291 67.354 68.868 -0.372 0.000 2.302 75 T HN 0.922 nan 8.240 nan 0.000 0.398 76 S N 3.389 118.955 115.700 -0.223 0.000 2.353 76 S HA -0.162 4.308 4.470 0.000 0.000 0.222 76 S C 1.848 176.396 174.600 -0.087 0.000 1.035 76 S CA 1.771 59.892 58.200 -0.131 0.000 1.025 76 S CB -0.792 62.347 63.200 -0.103 0.000 0.902 76 S HN 0.953 nan 8.310 nan 0.000 0.440 77 N N 1.256 119.908 118.700 -0.079 0.000 2.106 77 N HA -0.241 4.499 4.740 0.000 0.000 0.200 77 N C 1.735 177.225 175.510 -0.033 0.000 1.014 77 N CA 2.030 55.052 53.050 -0.047 0.000 0.891 77 N CB -0.114 38.346 38.487 -0.045 0.000 1.069 77 N HN 0.373 nan 8.380 nan 0.000 0.490 78 R N -1.109 119.362 120.500 -0.048 0.000 2.066 78 R HA -0.008 4.332 4.340 0.000 0.000 0.224 78 R C 2.208 178.499 176.300 -0.014 0.000 1.122 78 R CA 1.197 57.285 56.100 -0.020 0.000 0.974 78 R CB -0.510 29.779 30.300 -0.018 0.000 0.871 78 R HN 0.309 nan 8.270 nan 0.000 0.435 79 M N 1.594 121.161 119.600 -0.055 0.000 2.103 79 M HA -0.232 4.248 4.480 0.000 0.000 0.255 79 M C 2.149 178.457 176.300 0.014 0.000 1.074 79 M CA 2.086 57.358 55.300 -0.047 0.000 1.090 79 M CB -0.500 32.035 32.600 -0.109 0.000 1.325 79 M HN 0.180 nan 8.290 nan 0.000 0.403 80 A N -0.535 122.285 122.820 -0.001 0.000 1.877 80 A HA 0.031 4.351 4.320 0.000 0.000 0.216 80 A C 2.399 180.007 177.584 0.040 0.000 1.186 80 A CA 2.410 54.459 52.037 0.019 0.000 0.620 80 A CB -1.537 17.465 19.000 0.004 0.000 0.822 80 A HN 0.716 nan 8.150 nan 0.000 0.443 81 A N -1.171 121.672 122.820 0.038 0.000 1.933 81 A HA -0.211 4.109 4.320 0.000 0.000 0.218 81 A C 2.408 180.043 177.584 0.085 0.000 1.175 81 A CA 1.747 53.819 52.037 0.058 0.000 0.628 81 A CB -1.412 17.622 19.000 0.057 0.000 0.814 81 A HN 0.832 nan 8.150 nan 0.000 0.444 82 C N -0.475 118.879 119.300 0.090 0.000 2.432 82 C HA -0.028 4.432 4.460 0.000 0.000 0.277 82 C C 2.612 177.679 174.990 0.127 0.000 1.249 82 C CA 1.144 60.234 59.018 0.119 0.000 1.725 82 C CB -1.539 26.296 27.740 0.158 0.000 2.028 82 C HN 0.590 nan 8.230 nan 0.000 0.477 83 L N 0.405 121.704 121.223 0.127 0.000 2.046 83 L HA -0.142 4.198 4.340 0.000 0.000 0.208 83 L C 3.074 179.990 176.870 0.077 0.000 1.077 83 L CA 1.802 56.706 54.840 0.105 0.000 0.747 83 L CB -0.912 41.204 42.059 0.096 0.000 0.896 83 L HN 0.385 nan 8.230 nan 0.000 0.432 84 R N 0.320 120.863 120.500 0.072 0.000 2.103 84 R HA -0.209 4.131 4.340 0.000 0.000 0.242 84 R C 1.785 178.130 176.300 0.076 0.000 1.142 84 R CA 2.135 58.272 56.100 0.062 0.000 0.960 84 R CB -0.230 30.104 30.300 0.057 0.000 0.858 84 R HN 0.367 nan 8.270 nan 0.000 0.439 85 D N -0.145 120.316 120.400 0.102 0.000 2.117 85 D HA -0.157 4.483 4.640 0.000 0.000 0.197 85 D C 1.974 178.341 176.300 0.111 0.000 0.987 85 D CA 1.070 55.148 54.000 0.130 0.000 0.829 85 D CB -0.089 40.829 40.800 0.196 0.000 0.961 85 D HN 0.143 nan 8.370 nan 0.000 0.460 86 M N 0.346 120.000 119.600 0.091 0.000 2.080 86 M HA -0.146 4.334 4.480 0.000 0.000 0.260 86 M C 2.159 178.498 176.300 0.064 0.000 1.068 86 M CA 1.290 56.634 55.300 0.073 0.000 1.109 86 M CB -0.854 31.774 32.600 0.048 0.000 1.342 86 M HN 0.155 nan 8.290 nan 0.000 0.405 87 E N 0.517 120.747 120.200 0.049 0.000 2.072 87 E HA -0.155 4.195 4.350 0.000 0.000 0.191 87 E C 2.065 178.665 176.600 0.000 0.000 0.985 87 E CA 0.968 57.380 56.400 0.020 0.000 0.801 87 E CB 0.010 29.717 29.700 0.012 0.000 0.750 87 E HN 0.452 nan 8.360 nan 0.000 0.452 88 I N 0.808 121.399 120.570 0.036 0.000 2.127 88 I HA -0.318 3.852 4.170 0.000 0.000 0.241 88 I C 2.444 178.630 176.117 0.116 0.000 1.075 88 I CA 1.064 62.405 61.300 0.067 0.000 1.334 88 I CB -0.247 37.842 38.000 0.148 0.000 1.040 88 I HN 0.175 nan 8.210 nan 0.000 0.405 89 I N 0.045 120.681 120.570 0.111 0.000 2.151 89 I HA -0.349 3.821 4.170 0.000 0.000 0.243 89 I C 2.485 178.604 176.117 0.002 0.000 1.080 89 I CA 1.397 62.748 61.300 0.085 0.000 1.339 89 I CB -0.423 37.628 38.000 0.086 0.000 1.039 89 I HN 0.234 nan 8.210 nan 0.000 0.409 90 L N 0.875 122.098 121.223 0.000 0.000 1.990 90 L HA -0.268 4.072 4.340 0.000 0.000 0.213 90 L C 2.652 179.413 176.870 -0.182 0.000 1.072 90 L CA 1.940 56.752 54.840 -0.047 0.000 0.755 90 L CB -0.685 41.392 42.059 0.030 0.000 0.889 90 L HN 0.114 nan 8.230 nan 0.000 0.432 91 R N -1.908 118.441 120.500 -0.250 0.000 2.115 91 R HA -0.280 4.060 4.340 0.000 0.000 0.239 91 R C 2.340 178.157 176.300 -0.804 0.000 1.133 91 R CA 2.570 58.338 56.100 -0.554 0.000 0.935 91 R CB -0.707 29.214 30.300 -0.632 0.000 0.853 91 R HN 0.445 nan 8.270 nan 0.000 0.433 92 Y N -0.243 119.783 120.300 -0.457 0.000 2.181 92 Y HA -0.212 4.338 4.550 0.000 0.000 0.288 92 Y C 2.369 178.104 175.900 -0.276 0.000 1.146 92 Y CA 1.423 59.327 58.100 -0.327 0.000 1.164 92 Y CB -0.509 37.875 38.460 -0.127 0.000 0.982 92 Y HN -0.085 nan 8.280 nan 0.000 0.515 93 V N -0.017 119.791 119.914 -0.178 0.000 2.278 93 V HA -0.395 3.725 4.120 0.000 0.000 0.251 93 V C 2.572 178.534 176.094 -0.220 0.000 1.062 93 V CA 2.585 64.701 62.300 -0.306 0.000 1.038 93 V CB -1.376 30.049 31.823 -0.664 0.000 0.646 93 V HN 0.692 nan 8.190 nan 0.000 0.447 94 T N -2.187 112.238 114.554 -0.216 0.000 2.788 94 T HA -0.259 4.091 4.350 0.000 0.000 0.268 94 T C 1.828 176.553 174.700 0.042 0.000 1.044 94 T CA 1.768 63.816 62.100 -0.087 0.000 1.139 94 T CB -0.516 68.293 68.868 -0.098 0.000 0.867 94 T HN 0.411 nan 8.240 nan 0.000 0.454 95 Y N 2.386 122.636 120.300 -0.083 0.000 2.097 95 Y HA 0.126 4.676 4.550 0.000 0.000 0.282 95 Y C 3.206 179.097 175.900 -0.015 0.000 1.152 95 Y CA 0.085 58.156 58.100 -0.048 0.000 1.136 95 Y CB -1.619 36.795 38.460 -0.077 0.000 0.975 95 Y HN 0.369 nan 8.280 nan 0.000 0.498 96 A N 0.230 123.053 122.820 0.005 0.000 1.859 96 A HA -0.248 4.072 4.320 0.000 0.000 0.218 96 A C 2.565 180.042 177.584 -0.179 0.000 1.209 96 A CA 2.902 54.728 52.037 -0.352 0.000 0.639 96 A CB -1.406 16.998 19.000 -0.993 0.000 0.835 96 A HN 0.227 nan 8.150 nan 0.000 0.450 97 V N -1.169 118.760 119.914 0.025 0.000 2.233 97 V HA -0.348 3.772 4.120 0.000 0.000 0.252 97 V C 2.325 178.540 176.094 0.202 0.000 1.063 97 V CA 2.628 65.089 62.300 0.269 0.000 1.032 97 V CB -1.086 30.888 31.823 0.252 0.000 0.645 97 V HN 0.631 nan 8.190 nan 0.000 0.446 98 F N 1.041 121.033 119.950 0.069 0.000 2.120 98 F HA -0.214 4.313 4.527 0.000 0.000 0.300 98 F C 2.111 177.930 175.800 0.033 0.000 1.095 98 F CA 1.796 59.831 58.000 0.058 0.000 1.249 98 F CB -0.222 38.822 39.000 0.073 0.000 0.995 98 F HN 0.099 nan 8.300 nan 0.000 0.480 99 A N -0.439 122.464 122.820 0.139 0.000 2.238 99 A HA 0.348 4.668 4.320 0.000 0.000 0.210 99 A C 1.721 179.278 177.584 -0.046 0.000 1.179 99 A CA 0.625 52.677 52.037 0.025 0.000 0.827 99 A CB -1.176 17.892 19.000 0.115 0.000 0.856 99 A HN 0.897 nan 8.150 nan 0.000 0.488 100 G N -0.538 108.264 108.800 0.003 0.000 2.283 100 G HA2 -0.220 3.740 3.960 0.000 0.000 0.280 100 G HA3 -0.220 3.740 3.960 0.000 0.000 0.280 100 G C -0.265 174.681 174.900 0.077 0.000 1.029 100 G CA 0.763 45.886 45.100 0.039 0.000 0.840 100 G HN 0.726 nan 8.290 nan 0.000 0.505 101 D N -2.239 118.209 120.400 0.079 0.000 2.931 101 D HA 0.628 5.268 4.640 0.000 0.000 0.215 101 D C 0.888 177.174 176.300 -0.023 0.000 1.297 101 D CA 0.396 54.448 54.000 0.086 0.000 0.892 101 D CB 0.567 41.428 40.800 0.102 0.000 1.642 101 D HN 0.466 nan 8.370 nan 0.000 0.560 102 A N 2.140 124.989 122.820 0.049 0.000 2.131 102 A HA -0.115 4.205 4.320 0.000 0.000 0.220 102 A C 2.054 179.616 177.584 -0.038 0.000 1.158 102 A CA 1.916 53.923 52.037 -0.050 0.000 0.665 102 A CB -0.705 18.383 19.000 0.147 0.000 0.795 102 A HN 0.617 nan 8.150 nan 0.000 0.460 103 S N 0.660 116.378 115.700 0.030 0.000 2.359 103 S HA -0.164 4.306 4.470 0.000 0.000 0.223 103 S C 2.119 176.703 174.600 -0.028 0.000 1.039 103 S CA 1.540 59.753 58.200 0.021 0.000 1.042 103 S CB -1.008 62.229 63.200 0.061 0.000 0.915 103 S HN 1.075 nan 8.310 nan 0.000 0.439 104 A N 1.497 124.309 122.820 -0.013 0.000 1.986 104 A HA -0.010 4.310 4.320 0.000 0.000 0.220 104 A C 2.257 179.870 177.584 0.047 0.000 1.171 104 A CA 1.772 53.832 52.037 0.039 0.000 0.640 104 A CB -0.789 18.277 19.000 0.109 0.000 0.811 104 A HN 0.595 nan 8.150 nan 0.000 0.451 105 L N -0.935 120.284 121.223 -0.007 0.000 2.102 105 L HA 0.017 4.357 4.340 0.000 0.000 0.202 105 L C 2.163 178.959 176.870 -0.123 0.000 1.076 105 L CA 1.924 56.725 54.840 -0.065 0.000 0.761 105 L CB -0.508 41.499 42.059 -0.087 0.000 0.921 105 L HN 0.262 nan 8.230 nan 0.000 0.444 106 E N 0.291 120.446 120.200 -0.076 0.000 2.051 106 E HA -0.198 4.152 4.350 0.000 0.000 0.192 106 E C 1.813 178.356 176.600 -0.095 0.000 0.991 106 E CA 1.575 57.937 56.400 -0.063 0.000 0.799 106 E CB -0.246 29.443 29.700 -0.018 0.000 0.748 106 E HN 0.584 nan 8.360 nan 0.000 0.449 107 D N 0.133 120.474 120.400 -0.099 0.000 2.107 107 D HA -0.047 4.593 4.640 0.000 0.000 0.204 107 D C 1.811 178.018 176.300 -0.154 0.000 0.978 107 D CA 0.881 54.816 54.000 -0.108 0.000 0.852 107 D CB -0.247 40.493 40.800 -0.100 0.000 1.008 107 D HN 0.086 nan 8.370 nan 0.000 0.458 108 R N -0.556 119.822 120.500 -0.203 0.000 2.313 108 R HA 0.158 4.498 4.340 0.000 0.000 0.199 108 R C 1.212 177.212 176.300 -0.500 0.000 0.958 108 R CA 0.078 56.010 56.100 -0.280 0.000 1.047 108 R CB 0.188 30.384 30.300 -0.173 0.000 0.955 108 R HN 0.245 nan 8.270 nan 0.000 0.481 109 C N -1.493 117.519 119.300 -0.480 0.000 3.071 109 C HA 0.222 4.682 4.460 0.000 0.000 0.408 109 C C 1.904 176.729 174.990 -0.274 0.000 1.708 109 C CA -0.248 58.461 59.018 -0.514 0.000 2.195 109 C CB -0.255 26.986 27.740 -0.832 0.000 2.436 109 C HN 0.354 nan 8.230 nan 0.000 0.572 110 L N 2.086 123.186 121.223 -0.206 0.000 2.156 110 L HA 0.051 4.391 4.340 0.000 0.000 0.208 110 L C 0.648 177.450 176.870 -0.112 0.000 1.095 110 L CA 1.007 55.773 54.840 -0.123 0.000 0.770 110 L CB -0.844 41.172 42.059 -0.072 0.000 0.914 110 L HN 0.508 nan 8.230 nan 0.000 0.439 111 N N 0.698 119.327 118.700 -0.118 0.000 2.431 111 N HA 0.175 4.915 4.740 0.000 0.000 0.265 111 N C 0.955 176.406 175.510 -0.099 0.000 1.184 111 N CA 1.073 54.069 53.050 -0.090 0.000 0.943 111 N CB 0.810 39.248 38.487 -0.082 0.000 1.080 111 N HN 0.303 nan 8.380 nan 0.000 0.477 112 G N 2.768 111.520 108.800 -0.081 0.000 2.212 112 G HA2 -0.335 3.625 3.960 0.000 0.000 0.266 112 G HA3 -0.335 3.625 3.960 0.000 0.000 0.266 112 G C 0.799 175.623 174.900 -0.126 0.000 0.978 112 G CA 0.491 45.540 45.100 -0.085 0.000 0.632 112 G HN 0.583 nan 8.290 nan 0.000 0.537 113 L N 1.163 122.284 121.223 -0.169 0.000 2.012 113 L HA 0.093 4.433 4.340 0.000 0.000 0.210 113 L C 2.780 179.490 176.870 -0.266 0.000 1.073 113 L CA 3.102 57.764 54.840 -0.297 0.000 0.748 113 L CB -0.610 41.268 42.059 -0.301 0.000 0.891 113 L HN 0.479 nan 8.230 nan 0.000 0.431 114 R N -0.349 120.094 120.500 -0.094 0.000 2.103 114 R HA -0.205 4.135 4.340 0.000 0.000 0.242 114 R C 1.976 178.291 176.300 0.024 0.000 1.142 114 R CA 1.951 58.061 56.100 0.016 0.000 0.960 114 R CB -0.361 29.958 30.300 0.031 0.000 0.858 114 R HN 0.652 nan 8.270 nan 0.000 0.439 115 E N -0.515 119.672 120.200 -0.020 0.000 2.216 115 E HA -0.074 4.276 4.350 0.000 0.000 0.192 115 E C 1.720 178.310 176.600 -0.016 0.000 0.988 115 E CA 1.298 57.694 56.400 -0.007 0.000 0.834 115 E CB -0.444 29.249 29.700 -0.013 0.000 0.772 115 E HN 0.298 nan 8.360 nan 0.000 0.479 116 T N 1.272 115.777 114.554 -0.082 0.000 2.652 116 T HA -0.152 4.198 4.350 0.000 0.000 0.267 116 T C 1.605 176.318 174.700 0.020 0.000 1.039 116 T CA 1.528 63.575 62.100 -0.088 0.000 1.153 116 T CB -0.437 68.308 68.868 -0.205 0.000 0.863 116 T HN 0.122 nan 8.240 nan 0.000 0.428 117 Y N 1.429 121.734 120.300 0.008 0.000 2.097 117 Y HA -0.114 4.436 4.550 0.000 0.000 0.282 117 Y C 3.095 179.003 175.900 0.014 0.000 1.152 117 Y CA 0.456 58.565 58.100 0.014 0.000 1.136 117 Y CB -1.340 37.130 38.460 0.017 0.000 0.975 117 Y HN 0.169 nan 8.280 nan 0.000 0.498 118 S N -0.271 115.539 115.700 0.182 0.000 2.359 118 S HA -0.282 4.188 4.470 0.000 0.000 0.223 118 S C 2.333 176.979 174.600 0.076 0.000 1.039 118 S CA 1.594 59.855 58.200 0.102 0.000 1.042 118 S CB -0.662 62.580 63.200 0.071 0.000 0.915 118 S HN 0.475 nan 8.310 nan 0.000 0.439 119 A N 0.627 123.486 122.820 0.064 0.000 1.972 119 A HA 0.065 4.385 4.320 0.000 0.000 0.219 119 A C 2.191 179.809 177.584 0.056 0.000 1.169 119 A CA 1.340 53.405 52.037 0.047 0.000 0.635 119 A CB -0.590 18.427 19.000 0.030 0.000 0.810 119 A HN 0.584 nan 8.150 nan 0.000 0.446 120 L N -1.843 119.430 121.223 0.084 0.000 2.270 120 L HA 0.151 4.491 4.340 0.000 0.000 0.210 120 L C 1.755 178.668 176.870 0.071 0.000 1.104 120 L CA 0.770 55.661 54.840 0.085 0.000 0.804 120 L CB -0.126 42.011 42.059 0.129 0.000 0.937 120 L HN 0.592 nan 8.230 nan 0.000 0.450 121 G N -0.010 108.834 108.800 0.074 0.000 2.132 121 G HA2 -0.228 3.732 3.960 0.000 0.000 0.228 121 G HA3 -0.228 3.732 3.960 0.000 0.000 0.228 121 G C 0.226 175.146 174.900 0.033 0.000 1.000 121 G CA 0.131 45.261 45.100 0.049 0.000 0.693 121 G HN 0.224 nan 8.290 nan 0.000 0.515 122 T N 3.070 117.647 114.554 0.038 0.000 2.851 122 T HA 0.490 4.840 4.350 0.000 0.000 0.298 122 T C -1.852 172.784 174.700 -0.106 0.000 0.977 122 T CA -0.360 61.697 62.100 -0.072 0.000 1.126 122 T CB 1.780 70.526 68.868 -0.203 0.000 0.916 122 T HN 0.230 nan 8.240 nan 0.000 0.529 123 P HA 0.210 nan 4.420 nan 0.000 0.279 123 P C 1.117 178.332 177.300 -0.141 0.000 1.318 123 P CA -0.282 62.770 63.100 -0.082 0.000 0.819 123 P CB 0.830 32.503 31.700 -0.045 0.000 0.927 124 G N 4.148 112.896 108.800 -0.086 0.000 2.514 124 G HA2 -0.334 3.626 3.960 0.000 0.000 0.217 124 G HA3 -0.334 3.626 3.960 0.000 0.000 0.217 124 G C 1.607 176.490 174.900 -0.030 0.000 1.198 124 G CA 1.302 46.376 45.100 -0.044 0.000 0.780 124 G HN 0.536 nan 8.290 nan 0.000 0.565 125 S N 0.533 116.228 115.700 -0.008 0.000 2.400 125 S HA -0.197 4.273 4.470 0.000 0.000 0.234 125 S C 2.401 176.992 174.600 -0.015 0.000 1.049 125 S CA 2.049 60.249 58.200 -0.001 0.000 1.039 125 S CB -0.561 62.640 63.200 0.002 0.000 0.856 125 S HN 0.295 nan 8.310 nan 0.000 0.465 126 S N 1.325 117.003 115.700 -0.036 0.000 2.357 126 S HA 0.007 4.477 4.470 0.000 0.000 0.221 126 S C 2.052 176.620 174.600 -0.054 0.000 1.031 126 S CA 1.101 59.277 58.200 -0.040 0.000 0.982 126 S CB -0.630 62.548 63.200 -0.036 0.000 0.853 126 S HN 0.436 nan 8.310 nan 0.000 0.458 127 V N 2.512 122.372 119.914 -0.089 0.000 2.252 127 V HA -0.281 3.839 4.120 0.000 0.000 0.249 127 V C 2.707 178.803 176.094 0.003 0.000 1.056 127 V CA 1.859 64.120 62.300 -0.065 0.000 1.022 127 V CB -1.406 30.353 31.823 -0.107 0.000 0.641 127 V HN 0.542 nan 8.190 nan 0.000 0.445 128 A N -0.171 122.661 122.820 0.021 0.000 1.884 128 A HA -0.242 4.078 4.320 0.000 0.000 0.219 128 A C 2.415 180.012 177.584 0.022 0.000 1.197 128 A CA 2.587 54.648 52.037 0.040 0.000 0.637 128 A CB -0.975 18.048 19.000 0.038 0.000 0.827 128 A HN 0.350 nan 8.150 nan 0.000 0.450 129 V N -0.129 119.783 119.914 -0.004 0.000 2.287 129 V HA -0.240 3.880 4.120 0.000 0.000 0.248 129 V C 2.825 178.898 176.094 -0.035 0.000 1.053 129 V CA 2.140 64.427 62.300 -0.021 0.000 1.027 129 V CB -1.603 30.201 31.823 -0.032 0.000 0.646 129 V HN 0.671 nan 8.190 nan 0.000 0.447 130 G N -0.221 108.551 108.800 -0.047 0.000 2.491 130 G HA2 -0.248 3.712 3.960 0.000 0.000 0.218 130 G HA3 -0.248 3.712 3.960 0.000 0.000 0.218 130 G C 1.694 176.588 174.900 -0.010 0.000 1.180 130 G CA 1.348 46.411 45.100 -0.062 0.000 0.774 130 G HN 0.374 nan 8.290 nan 0.000 0.562 131 V N 1.688 121.628 119.914 0.044 0.000 2.287 131 V HA -0.136 3.984 4.120 0.000 0.000 0.248 131 V C 3.176 179.327 176.094 0.095 0.000 1.053 131 V CA 2.174 64.549 62.300 0.126 0.000 1.027 131 V CB -1.184 30.735 31.823 0.160 0.000 0.646 131 V HN 0.475 nan 8.190 nan 0.000 0.447 132 G N -0.637 108.184 108.800 0.035 0.000 2.442 132 G HA2 -0.278 3.682 3.960 0.000 0.000 0.219 132 G HA3 -0.278 3.682 3.960 0.000 0.000 0.219 132 G C 1.688 176.535 174.900 -0.088 0.000 1.141 132 G CA 1.027 46.114 45.100 -0.022 0.000 0.763 132 G HN 0.484 nan 8.290 nan 0.000 0.554 133 K N -0.554 119.801 120.400 -0.074 0.000 2.057 133 K HA 0.112 4.432 4.320 0.000 0.000 0.206 133 K C 2.672 179.193 176.600 -0.131 0.000 1.050 133 K CA 1.029 57.258 56.287 -0.096 0.000 0.935 133 K CB -0.204 32.243 32.500 -0.087 0.000 0.715 133 K HN 0.265 nan 8.250 nan 0.000 0.439 134 M N 1.002 120.537 119.600 -0.108 0.000 2.108 134 M HA -0.219 4.261 4.480 0.000 0.000 0.261 134 M C 2.277 178.297 176.300 -0.466 0.000 1.066 134 M CA 1.545 56.766 55.300 -0.131 0.000 1.107 134 M CB -0.190 32.451 32.600 0.069 0.000 1.356 134 M HN 0.037 nan 8.290 nan 0.000 0.406 135 K N 0.623 120.578 120.400 -0.742 0.000 2.020 135 K HA -0.240 4.080 4.320 0.000 0.000 0.212 135 K C 1.793 178.020 176.600 -0.620 0.000 1.050 135 K CA 1.833 57.365 56.287 -1.258 0.000 0.929 135 K CB -0.189 31.901 32.500 -0.682 0.000 0.714 135 K HN 0.411 nan 8.250 nan 0.000 0.443 136 E N -0.439 119.558 120.200 -0.338 0.000 2.038 136 E HA -0.205 4.145 4.350 0.000 0.000 0.195 136 E C 1.932 178.428 176.600 -0.173 0.000 1.000 136 E CA 1.304 57.583 56.400 -0.202 0.000 0.803 136 E CB -0.119 29.501 29.700 -0.134 0.000 0.750 136 E HN 0.454 nan 8.360 nan 0.000 0.448 137 A N 1.170 123.891 122.820 -0.165 0.000 1.898 137 A HA -0.077 4.243 4.320 0.000 0.000 0.216 137 A C 2.346 179.869 177.584 -0.102 0.000 1.181 137 A CA 1.644 53.616 52.037 -0.109 0.000 0.620 137 A CB -0.625 18.325 19.000 -0.083 0.000 0.819 137 A HN 0.331 nan 8.150 nan 0.000 0.442 138 A N 0.107 122.835 122.820 -0.153 0.000 1.859 138 A HA -0.153 4.167 4.320 0.000 0.000 0.217 138 A C 2.194 179.744 177.584 -0.057 0.000 1.198 138 A CA 1.689 53.680 52.037 -0.076 0.000 0.629 138 A CB -0.846 18.117 19.000 -0.063 0.000 0.830 138 A HN 0.477 nan 8.150 nan 0.000 0.446 139 L N -0.902 120.249 121.223 -0.120 0.000 1.990 139 L HA -0.295 4.045 4.340 0.000 0.000 0.213 139 L C 3.174 180.020 176.870 -0.039 0.000 1.072 139 L CA 1.351 56.154 54.840 -0.062 0.000 0.755 139 L CB -0.808 41.197 42.059 -0.090 0.000 0.889 139 L HN 0.504 nan 8.230 nan 0.000 0.432 140 A N 0.448 123.236 122.820 -0.053 0.000 1.896 140 A HA -0.282 4.038 4.320 0.000 0.000 0.220 140 A C 2.174 179.747 177.584 -0.018 0.000 1.206 140 A CA 2.249 54.265 52.037 -0.035 0.000 0.647 140 A CB -0.909 18.067 19.000 -0.040 0.000 0.828 140 A HN 0.425 nan 8.150 nan 0.000 0.455 141 I N -0.313 120.248 120.570 -0.015 0.000 2.361 141 I HA -0.211 3.959 4.170 0.000 0.000 0.251 141 I C 2.529 178.653 176.117 0.012 0.000 1.133 141 I CA 1.590 62.890 61.300 0.000 0.000 1.413 141 I CB -0.270 37.734 38.000 0.006 0.000 1.073 141 I HN 0.410 nan 8.210 nan 0.000 0.424 142 V N 0.243 120.167 119.914 0.017 0.000 2.407 142 V HA -0.111 4.009 4.120 0.000 0.000 0.245 142 V C 1.812 177.916 176.094 0.017 0.000 1.041 142 V CA 1.713 64.030 62.300 0.027 0.000 1.040 142 V CB -0.591 31.261 31.823 0.047 0.000 0.671 142 V HN 0.387 nan 8.190 nan 0.000 0.455 143 N N 1.196 119.901 118.700 0.007 0.000 2.571 143 N HA -0.028 4.712 4.740 0.000 0.000 0.189 143 N C 0.335 175.846 175.510 0.002 0.000 1.154 143 N CA 0.807 53.858 53.050 0.003 0.000 0.907 143 N CB -0.516 37.969 38.487 -0.004 0.000 0.977 143 N HN 0.726 nan 8.380 nan 0.000 0.449 144 D N 1.450 121.851 120.400 0.002 0.000 2.401 144 D HA 0.057 4.697 4.640 0.000 0.000 0.254 144 D C -1.598 174.704 176.300 0.004 0.000 1.192 144 D CA -1.533 52.468 54.000 0.002 0.000 0.885 144 D CB 1.268 42.069 40.800 0.001 0.000 1.147 144 D HN 0.029 nan 8.370 nan 0.000 0.478 145 P HA 0.136 nan 4.420 nan 0.000 0.231 145 P C -0.209 177.094 177.300 0.005 0.000 1.168 145 P CA 0.028 63.130 63.100 0.004 0.000 0.779 145 P CB 0.092 31.793 31.700 0.002 0.000 0.844 146 A N 0.557 123.380 122.820 0.004 0.000 2.561 146 A HA 0.376 4.696 4.320 0.000 0.000 0.234 146 A C 1.635 179.223 177.584 0.007 0.000 1.055 146 A CA 0.689 52.729 52.037 0.005 0.000 0.756 146 A CB -1.235 17.767 19.000 0.004 0.000 0.986 146 A HN 0.369 nan 8.150 nan 0.000 0.505 147 G N 0.472 109.276 108.800 0.007 0.000 2.212 147 G HA2 -0.242 3.718 3.960 0.000 0.000 0.267 147 G HA3 -0.242 3.718 3.960 0.000 0.000 0.267 147 G C 0.065 174.972 174.900 0.011 0.000 1.002 147 G CA 0.981 46.086 45.100 0.009 0.000 0.729 147 G HN 1.124 nan 8.290 nan 0.000 0.517 148 I N -0.610 119.967 120.570 0.010 0.000 2.969 148 I HA 0.391 4.561 4.170 0.000 0.000 0.307 148 I C 0.404 176.527 176.117 0.010 0.000 1.149 148 I CA -0.902 60.405 61.300 0.012 0.000 1.008 148 I CB 1.853 39.862 38.000 0.014 0.000 1.232 148 I HN -0.002 nan 8.210 nan 0.000 0.435 149 T N 5.973 120.533 114.554 0.011 0.000 2.871 149 T HA 0.155 4.505 4.350 0.000 0.000 0.296 149 T C -2.318 172.387 174.700 0.009 0.000 0.998 149 T CA -0.401 61.705 62.100 0.010 0.000 1.162 149 T CB -0.169 68.706 68.868 0.010 0.000 0.947 149 T HN 0.280 nan 8.240 nan 0.000 0.536 150 P HA 0.525 nan 4.420 nan 0.000 0.271 150 P C 0.206 177.510 177.300 0.006 0.000 1.216 150 P CA -0.146 62.958 63.100 0.006 0.000 0.776 150 P CB 0.759 32.462 31.700 0.004 0.000 0.881 151 G N 0.549 109.353 108.800 0.005 0.000 2.488 151 G HA2 0.379 4.339 3.960 0.000 0.000 0.301 151 G HA3 0.379 4.339 3.960 0.000 0.000 0.301 151 G C -2.013 172.889 174.900 0.003 0.000 1.339 151 G CA -0.603 44.500 45.100 0.005 0.000 0.803 151 G HN 0.506 nan 8.290 nan 0.000 0.482 152 D N -1.206 119.196 120.400 0.002 0.000 2.317 152 D HA 0.479 5.119 4.640 0.000 0.000 0.234 152 D C 0.530 176.831 176.300 0.002 0.000 1.112 152 D CA -0.385 53.615 54.000 0.001 0.000 0.840 152 D CB 0.980 41.779 40.800 -0.001 0.000 1.078 152 D HN 0.322 nan 8.370 nan 0.000 0.486 153 C N 2.939 122.240 119.300 0.002 0.000 2.778 153 C HA 0.120 4.580 4.460 0.000 0.000 0.294 153 C C 2.224 177.214 174.990 -0.000 0.000 1.331 153 C CA 0.137 59.157 59.018 0.004 0.000 1.741 153 C CB -1.668 26.077 27.740 0.009 0.000 2.106 153 C HN 0.799 nan 8.230 nan 0.000 0.603 154 S N 1.396 117.094 115.700 -0.004 0.000 2.402 154 S HA -0.067 4.403 4.470 0.000 0.000 0.229 154 S C 1.943 176.536 174.600 -0.012 0.000 1.021 154 S CA 1.348 59.544 58.200 -0.008 0.000 0.974 154 S CB -0.197 62.998 63.200 -0.008 0.000 0.800 154 S HN 0.585 nan 8.310 nan 0.000 0.484 155 A N 1.734 124.546 122.820 -0.013 0.000 1.898 155 A HA 0.164 4.484 4.320 0.000 0.000 0.216 155 A C 2.210 179.778 177.584 -0.027 0.000 1.181 155 A CA 1.374 53.399 52.037 -0.021 0.000 0.620 155 A CB -0.951 18.038 19.000 -0.019 0.000 0.819 155 A HN 0.514 nan 8.150 nan 0.000 0.442 156 L N -0.005 121.208 121.223 -0.016 0.000 2.012 156 L HA -0.136 4.204 4.340 0.000 0.000 0.210 156 L C 2.766 179.630 176.870 -0.010 0.000 1.073 156 L CA 2.248 57.082 54.840 -0.010 0.000 0.748 156 L CB -0.834 41.230 42.059 0.009 0.000 0.891 156 L HN 0.373 nan 8.230 nan 0.000 0.431 157 A N -1.842 120.976 122.820 -0.002 0.000 1.917 157 A HA -0.283 4.037 4.320 0.000 0.000 0.219 157 A C 2.544 180.119 177.584 -0.014 0.000 1.182 157 A CA 2.216 54.254 52.037 0.003 0.000 0.633 157 A CB -1.216 17.784 19.000 -0.001 0.000 0.819 157 A HN 0.515 nan 8.150 nan 0.000 0.448 158 S N -1.100 114.581 115.700 -0.031 0.000 2.382 158 S HA -0.194 4.276 4.470 0.000 0.000 0.228 158 S C 2.044 176.589 174.600 -0.093 0.000 1.027 158 S CA 1.612 59.783 58.200 -0.047 0.000 0.991 158 S CB -0.298 62.876 63.200 -0.043 0.000 0.823 158 S HN 0.698 nan 8.310 nan 0.000 0.469 159 E N 0.208 120.328 120.200 -0.134 0.000 2.047 159 E HA -0.116 4.234 4.350 0.000 0.000 0.191 159 E C 2.000 178.348 176.600 -0.420 0.000 0.987 159 E CA 1.351 57.575 56.400 -0.292 0.000 0.799 159 E CB -0.201 29.354 29.700 -0.242 0.000 0.752 159 E HN 0.581 nan 8.360 nan 0.000 0.449 160 I N 1.056 121.533 120.570 -0.155 0.000 2.226 160 I HA -0.259 3.911 4.170 0.000 0.000 0.245 160 I C 2.628 178.842 176.117 0.161 0.000 1.100 160 I CA 0.942 62.264 61.300 0.037 0.000 1.374 160 I CB -0.377 37.732 38.000 0.182 0.000 1.057 160 I HN 0.174 nan 8.210 nan 0.000 0.413 161 A N 1.150 124.029 122.820 0.098 0.000 1.903 161 A HA -0.224 4.096 4.320 0.000 0.000 0.219 161 A C 2.451 180.098 177.584 0.105 0.000 1.191 161 A CA 2.227 54.336 52.037 0.120 0.000 0.638 161 A CB -1.614 17.403 19.000 0.028 0.000 0.823 161 A HN 0.479 nan 8.150 nan 0.000 0.451 162 G N -1.287 107.486 108.800 -0.045 0.000 2.491 162 G HA2 -0.270 3.690 3.960 0.000 0.000 0.218 162 G HA3 -0.270 3.690 3.960 0.000 0.000 0.218 162 G C 1.423 176.352 174.900 0.048 0.000 1.180 162 G CA 1.382 46.442 45.100 -0.066 0.000 0.774 162 G HN 0.502 nan 8.290 nan 0.000 0.562 163 Y N 0.318 120.654 120.300 0.059 0.000 2.030 163 Y HA -0.069 4.481 4.550 0.000 0.000 0.274 163 Y C 2.670 178.554 175.900 -0.026 0.000 1.153 163 Y CA 0.664 58.755 58.100 -0.016 0.000 1.115 163 Y CB -1.463 36.944 38.460 -0.089 0.000 0.969 163 Y HN 0.172 nan 8.280 nan 0.000 0.488 164 F N 0.503 120.565 119.950 0.187 0.000 2.085 164 F HA -0.297 4.230 4.527 0.000 0.000 0.299 164 F C 2.211 178.060 175.800 0.081 0.000 1.096 164 F CA 2.053 60.117 58.000 0.106 0.000 1.227 164 F CB -0.707 38.334 39.000 0.067 0.000 0.983 164 F HN 0.070 nan 8.300 nan 0.000 0.482 165 D N -0.500 120.049 120.400 0.248 0.000 2.178 165 D HA -0.132 4.508 4.640 0.000 0.000 0.202 165 D C 2.361 178.732 176.300 0.117 0.000 0.974 165 D CA 1.060 55.150 54.000 0.151 0.000 0.841 165 D CB -0.246 40.615 40.800 0.101 0.000 0.953 165 D HN 0.370 nan 8.370 nan 0.000 0.478 166 R N 0.541 121.113 120.500 0.120 0.000 2.127 166 R HA 0.205 4.545 4.340 0.000 0.000 0.217 166 R C 2.101 178.447 176.300 0.078 0.000 1.074 166 R CA 1.000 57.155 56.100 0.092 0.000 0.991 166 R CB -0.398 29.959 30.300 0.095 0.000 0.895 166 R HN 0.005 nan 8.270 nan 0.000 0.450 167 A N 2.190 125.059 122.820 0.081 0.000 1.883 167 A HA -0.096 4.224 4.320 0.000 0.000 0.217 167 A C 2.580 180.217 177.584 0.089 0.000 1.186 167 A CA 2.001 54.077 52.037 0.065 0.000 0.624 167 A CB -0.830 18.202 19.000 0.053 0.000 0.822 167 A HN 0.521 nan 8.150 nan 0.000 0.444 168 A N -0.184 122.703 122.820 0.111 0.000 1.865 168 A HA 0.116 4.436 4.320 0.000 0.000 0.217 168 A C 2.543 180.174 177.584 0.079 0.000 1.191 168 A CA 2.399 54.496 52.037 0.100 0.000 0.623 168 A CB -1.205 17.855 19.000 0.100 0.000 0.826 168 A HN 1.228 nan 8.150 nan 0.000 0.444 169 A N -0.351 122.512 122.820 0.072 0.000 1.978 169 A HA 0.137 4.457 4.320 0.000 0.000 0.220 169 A C 2.280 179.896 177.584 0.053 0.000 1.170 169 A CA 1.968 54.039 52.037 0.057 0.000 0.636 169 A CB -0.820 18.212 19.000 0.053 0.000 0.810 169 A HN 1.178 nan 8.150 nan 0.000 0.448 170 A N -0.527 122.327 122.820 0.055 0.000 2.235 170 A HA 0.285 4.605 4.320 0.000 0.000 0.208 170 A C 1.444 179.065 177.584 0.062 0.000 1.172 170 A CA 1.300 53.363 52.037 0.044 0.000 0.786 170 A CB -0.534 18.482 19.000 0.026 0.000 0.804 170 A HN 1.216 nan 8.150 nan 0.000 0.479 171 V N -3.846 116.123 119.914 0.091 0.000 3.199 171 V HA 0.329 4.449 4.120 0.000 0.000 0.331 171 V C 0.166 176.324 176.094 0.107 0.000 1.446 171 V CA 0.078 62.462 62.300 0.139 0.000 1.120 171 V CB -0.615 31.346 31.823 0.229 0.000 1.051 171 V HN 0.181 nan 8.190 nan 0.000 0.495 172 S N 0.000 115.742 115.700 0.070 0.000 2.498 172 S HA 0.000 4.470 4.470 0.000 0.000 0.327 172 S CA 0.000 58.230 58.200 0.050 0.000 1.107 172 S CB 0.000 63.224 63.200 0.040 0.000 0.593 172 S HN 0.000 nan 8.310 nan 0.000 0.517