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 2uun_1_D DATA FIRST_RESID 1 DATA SEQUENCE MFDAFTKVAA QADTRGEMVS VAQIDALSQM VAEANKRLDV VNRITANAST DATA SEQUENCE VVSNAARALF AEQPQLIAPG GNAYASDRMA 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 0.000 175.985 176.300 -0.525 0.000 1.140 1 M CA 0.000 55.052 55.300 -0.414 0.000 0.988 1 M CB 0.000 32.504 32.600 -0.160 0.000 1.302 2 F N 1.064 121.030 119.950 0.028 0.000 2.458 2 F HA 0.695 5.222 4.527 0.000 0.000 0.330 2 F C 0.020 175.843 175.800 0.039 0.000 1.082 2 F CA -0.289 57.733 58.000 0.036 0.000 0.995 2 F CB 1.333 40.353 39.000 0.032 0.000 1.170 2 F HN 0.765 nan 8.300 nan 0.000 0.478 3 D N 0.412 120.965 120.400 0.254 0.000 2.440 3 D HA 0.554 5.194 4.640 0.000 0.000 0.258 3 D C 0.943 177.304 176.300 0.102 0.000 1.092 3 D CA -0.528 53.566 54.000 0.157 0.000 1.016 3 D CB 0.769 41.662 40.800 0.154 0.000 1.141 3 D HN 0.540 nan 8.370 nan 0.000 0.552 4 A N -0.176 122.608 122.820 -0.059 0.000 1.896 4 A HA -0.224 4.096 4.320 0.000 0.000 0.220 4 A C 1.907 179.397 177.584 -0.156 0.000 1.206 4 A CA 1.682 53.608 52.037 -0.185 0.000 0.647 4 A CB -1.268 17.491 19.000 -0.401 0.000 0.828 4 A HN 0.570 nan 8.150 nan 0.000 0.455 5 F N -0.238 119.727 119.950 0.025 0.000 2.051 5 F HA -0.125 4.402 4.527 0.000 0.000 0.296 5 F C 2.864 178.675 175.800 0.019 0.000 1.122 5 F CA 1.786 59.794 58.000 0.014 0.000 1.201 5 F CB -1.388 37.620 39.000 0.014 0.000 0.978 5 F HN 0.110 nan 8.300 nan 0.000 0.472 6 T N -0.253 114.483 114.554 0.303 0.000 2.737 6 T HA -0.277 4.073 4.350 0.000 0.000 0.269 6 T C 1.971 176.732 174.700 0.102 0.000 1.040 6 T CA 1.895 64.138 62.100 0.238 0.000 1.142 6 T CB -0.287 68.764 68.868 0.306 0.000 0.861 6 T HN 0.032 nan 8.240 nan 0.000 0.456 7 K N 1.025 121.432 120.400 0.012 0.000 2.057 7 K HA -0.016 4.304 4.320 0.000 0.000 0.206 7 K C 1.979 178.424 176.600 -0.259 0.000 1.050 7 K CA 1.306 57.399 56.287 -0.323 0.000 0.935 7 K CB -0.762 31.636 32.500 -0.169 0.000 0.715 7 K HN 0.222 nan 8.250 nan 0.000 0.439 8 V N 1.194 121.049 119.914 -0.098 0.000 2.270 8 V HA -0.188 3.932 4.120 0.000 0.000 0.245 8 V C 2.420 178.485 176.094 -0.048 0.000 1.043 8 V CA 1.874 64.135 62.300 -0.064 0.000 1.014 8 V CB -1.149 30.668 31.823 -0.010 0.000 0.645 8 V HN 0.493 nan 8.190 nan 0.000 0.447 9 A N 0.445 123.266 122.820 0.001 0.000 1.903 9 A HA -0.298 4.022 4.320 0.000 0.000 0.219 9 A C 2.458 180.024 177.584 -0.030 0.000 1.191 9 A CA 2.769 54.810 52.037 0.007 0.000 0.638 9 A CB -1.064 17.964 19.000 0.047 0.000 0.823 9 A HN 0.661 nan 8.150 nan 0.000 0.451 10 A N -1.249 121.516 122.820 -0.092 0.000 1.948 10 A HA -0.277 4.043 4.320 0.000 0.000 0.220 10 A C 2.130 179.647 177.584 -0.111 0.000 1.177 10 A CA 2.006 53.967 52.037 -0.127 0.000 0.636 10 A CB -0.522 18.252 19.000 -0.376 0.000 0.815 10 A HN 0.714 nan 8.150 nan 0.000 0.449 11 Q N -1.374 118.347 119.800 -0.131 0.000 2.163 11 Q HA 0.163 4.503 4.340 0.000 0.000 0.198 11 Q C 2.418 178.387 176.000 -0.052 0.000 0.954 11 Q CA 0.814 56.559 55.803 -0.095 0.000 0.851 11 Q CB -0.242 28.433 28.738 -0.105 0.000 0.928 11 Q HN 0.662 nan 8.270 nan 0.000 0.459 12 A N 1.210 124.005 122.820 -0.042 0.000 1.933 12 A HA -0.251 4.069 4.320 0.000 0.000 0.218 12 A C 1.650 179.226 177.584 -0.013 0.000 1.175 12 A CA 1.946 53.970 52.037 -0.021 0.000 0.628 12 A CB -0.531 18.462 19.000 -0.012 0.000 0.814 12 A HN 0.367 nan 8.150 nan 0.000 0.444 13 D N -0.679 119.713 120.400 -0.012 0.000 2.144 13 D HA -0.135 4.505 4.640 0.000 0.000 0.200 13 D C 2.073 178.372 176.300 -0.002 0.000 0.978 13 D CA 2.001 56.000 54.000 -0.001 0.000 0.833 13 D CB -0.154 40.651 40.800 0.009 0.000 0.961 13 D HN 0.464 nan 8.370 nan 0.000 0.470 14 T N -2.538 112.011 114.554 -0.008 0.000 3.113 14 T HA -0.003 4.347 4.350 0.000 0.000 0.263 14 T C 1.627 176.324 174.700 -0.005 0.000 1.143 14 T CA 0.404 62.502 62.100 -0.004 0.000 1.090 14 T CB -0.168 68.697 68.868 -0.005 0.000 0.922 14 T HN 0.084 nan 8.240 nan 0.000 0.521 15 R N 0.006 120.501 120.500 -0.007 0.000 2.397 15 R HA 0.334 4.674 4.340 0.000 0.000 0.241 15 R C 1.594 177.892 176.300 -0.003 0.000 0.914 15 R CA 0.287 56.383 56.100 -0.006 0.000 1.071 15 R CB 0.334 30.629 30.300 -0.009 0.000 1.116 15 R HN 0.492 nan 8.270 nan 0.000 0.524 16 G N 2.130 110.929 108.800 -0.002 0.000 2.225 16 G HA2 -0.307 3.653 3.960 0.000 0.000 0.267 16 G HA3 -0.307 3.653 3.960 0.000 0.000 0.267 16 G C -0.242 174.658 174.900 -0.001 0.000 1.024 16 G CA 0.513 45.613 45.100 0.000 0.000 0.784 16 G HN 0.383 nan 8.290 nan 0.000 0.507 17 E N -0.605 119.594 120.200 -0.002 0.000 2.263 17 E HA 0.639 4.989 4.350 0.000 0.000 0.264 17 E C 0.825 177.425 176.600 -0.001 0.000 0.923 17 E CA -1.032 55.367 56.400 -0.002 0.000 0.802 17 E CB 0.864 30.562 29.700 -0.003 0.000 1.228 17 E HN 0.290 nan 8.360 nan 0.000 0.417 18 M N 1.453 121.054 119.600 0.000 0.000 2.250 18 M HA 0.234 4.714 4.480 0.000 0.000 0.344 18 M C -0.162 176.139 176.300 0.003 0.000 1.150 18 M CA -0.738 54.563 55.300 0.002 0.000 1.147 18 M CB 0.715 33.316 32.600 0.002 0.000 1.498 18 M HN 0.211 nan 8.290 nan 0.000 0.461 19 V N 2.666 122.584 119.914 0.006 0.000 2.599 19 V HA -0.025 4.095 4.120 0.000 0.000 0.300 19 V C 0.955 177.053 176.094 0.008 0.000 1.034 19 V CA -0.047 62.258 62.300 0.009 0.000 1.115 19 V CB 0.671 32.506 31.823 0.020 0.000 0.934 19 V HN 1.064 nan 8.190 nan 0.000 0.485 20 S N 4.568 120.271 115.700 0.005 0.000 2.572 20 S HA 0.123 4.593 4.470 0.000 0.000 0.279 20 S C 1.319 175.923 174.600 0.007 0.000 1.341 20 S CA -0.235 57.967 58.200 0.004 0.000 1.043 20 S CB 1.401 64.602 63.200 0.001 0.000 0.887 20 S HN 0.875 nan 8.310 nan 0.000 0.516 21 V N 1.501 121.419 119.914 0.006 0.000 2.370 21 V HA -0.220 3.900 4.120 0.000 0.000 0.252 21 V C 2.833 178.932 176.094 0.008 0.000 1.068 21 V CA 2.123 64.427 62.300 0.008 0.000 1.061 21 V CB -2.395 29.431 31.823 0.006 0.000 0.656 21 V HN 1.048 nan 8.190 nan 0.000 0.455 22 A N 1.024 123.848 122.820 0.005 0.000 1.873 22 A HA -0.308 4.012 4.320 0.000 0.000 0.218 22 A C 2.288 179.876 177.584 0.007 0.000 1.193 22 A CA 2.422 54.461 52.037 0.004 0.000 0.629 22 A CB -0.726 18.274 19.000 0.001 0.000 0.826 22 A HN 0.735 nan 8.150 nan 0.000 0.447 23 Q N -0.483 119.322 119.800 0.007 0.000 2.124 23 Q HA -0.075 4.265 4.340 0.000 0.000 0.202 23 Q C 2.047 178.062 176.000 0.025 0.000 0.977 23 Q CA 1.424 57.233 55.803 0.010 0.000 0.850 23 Q CB -0.427 28.316 28.738 0.008 0.000 0.901 23 Q HN 0.732 nan 8.270 nan 0.000 0.429 24 I N 1.459 122.046 120.570 0.029 0.000 2.226 24 I HA -0.259 3.911 4.170 0.000 0.000 0.245 24 I C 1.537 177.680 176.117 0.043 0.000 1.100 24 I CA 1.066 62.392 61.300 0.044 0.000 1.374 24 I CB -0.330 37.691 38.000 0.034 0.000 1.057 24 I HN 0.153 nan 8.210 nan 0.000 0.413 25 D N 1.317 121.732 120.400 0.026 0.000 2.084 25 D HA -0.165 4.475 4.640 0.000 0.000 0.194 25 D C 2.297 178.608 176.300 0.018 0.000 0.990 25 D CA 1.651 55.663 54.000 0.021 0.000 0.826 25 D CB -0.371 40.436 40.800 0.012 0.000 0.971 25 D HN 0.314 nan 8.370 nan 0.000 0.453 26 A N 0.850 123.676 122.820 0.010 0.000 1.903 26 A HA -0.223 4.098 4.320 0.000 0.000 0.219 26 A C 2.425 180.006 177.584 -0.006 0.000 1.191 26 A CA 1.486 53.522 52.037 -0.002 0.000 0.638 26 A CB -1.004 17.990 19.000 -0.010 0.000 0.823 26 A HN 0.257 nan 8.150 nan 0.000 0.451 27 L N -1.265 119.968 121.223 0.016 0.000 2.056 27 L HA -0.133 4.207 4.340 0.000 0.000 0.207 27 L C 2.872 179.787 176.870 0.075 0.000 1.078 27 L CA 1.346 56.203 54.840 0.029 0.000 0.749 27 L CB -0.493 41.655 42.059 0.150 0.000 0.901 27 L HN 0.433 nan 8.230 nan 0.000 0.433 28 S N -0.806 114.943 115.700 0.082 0.000 2.387 28 S HA -0.277 4.193 4.470 0.000 0.000 0.230 28 S C 1.985 176.612 174.600 0.044 0.000 1.035 28 S CA 1.536 59.780 58.200 0.074 0.000 1.014 28 S CB -0.112 63.119 63.200 0.050 0.000 0.836 28 S HN 0.409 nan 8.310 nan 0.000 0.466 29 Q N -0.190 119.623 119.800 0.021 0.000 2.049 29 Q HA -0.029 4.311 4.340 0.000 0.000 0.198 29 Q C 2.228 178.224 176.000 -0.006 0.000 0.971 29 Q CA 1.000 56.807 55.803 0.007 0.000 0.833 29 Q CB -0.268 28.469 28.738 -0.001 0.000 0.896 29 Q HN 0.515 nan 8.270 nan 0.000 0.434 30 M N 0.397 119.981 119.600 -0.026 0.000 2.267 30 M HA -0.152 4.328 4.480 0.000 0.000 0.263 30 M C 1.725 178.001 176.300 -0.039 0.000 1.063 30 M CA 1.025 56.289 55.300 -0.060 0.000 1.090 30 M CB -0.054 32.466 32.600 -0.133 0.000 1.392 30 M HN 0.114 nan 8.290 nan 0.000 0.422 31 V N 0.471 120.395 119.914 0.018 0.000 2.379 31 V HA -0.163 3.957 4.120 0.000 0.000 0.245 31 V C 2.595 178.709 176.094 0.033 0.000 1.044 31 V CA 1.596 63.935 62.300 0.064 0.000 1.036 31 V CB -1.122 30.778 31.823 0.129 0.000 0.664 31 V HN 0.607 nan 8.190 nan 0.000 0.453 32 A N -0.443 122.391 122.820 0.024 0.000 2.125 32 A HA -0.161 4.159 4.320 0.000 0.000 0.219 32 A C 1.900 179.489 177.584 0.008 0.000 1.156 32 A CA 1.406 53.453 52.037 0.016 0.000 0.671 32 A CB -0.281 18.727 19.000 0.014 0.000 0.794 32 A HN 0.660 nan 8.150 nan 0.000 0.459 33 E N -0.586 119.615 120.200 0.001 0.000 2.501 33 E HA 0.313 4.663 4.350 0.000 0.000 0.201 33 E C 1.785 178.382 176.600 -0.006 0.000 1.016 33 E CA 0.310 56.709 56.400 -0.002 0.000 0.920 33 E CB 0.043 29.739 29.700 -0.007 0.000 1.023 33 E HN 0.542 nan 8.360 nan 0.000 0.474 34 A N 2.447 125.262 122.820 -0.008 0.000 1.923 34 A HA -0.380 3.940 4.320 0.000 0.000 0.222 34 A C 1.873 179.453 177.584 -0.007 0.000 1.258 34 A CA 2.431 54.458 52.037 -0.016 0.000 0.670 34 A CB -0.954 18.046 19.000 -0.001 0.000 0.834 34 A HN 0.330 nan 8.150 nan 0.000 0.470 35 N N -0.899 117.804 118.700 0.005 0.000 2.166 35 N HA -0.144 4.596 4.740 0.000 0.000 0.186 35 N C 1.811 177.332 175.510 0.019 0.000 1.019 35 N CA 1.428 54.486 53.050 0.014 0.000 0.856 35 N CB -0.154 38.342 38.487 0.016 0.000 0.993 35 N HN 0.564 nan 8.380 nan 0.000 0.426 36 K N 0.951 121.360 120.400 0.016 0.000 2.002 36 K HA -0.133 4.187 4.320 0.000 0.000 0.209 36 K C 2.115 178.732 176.600 0.029 0.000 1.048 36 K CA 0.770 57.070 56.287 0.022 0.000 0.930 36 K CB -0.185 32.325 32.500 0.017 0.000 0.714 36 K HN 0.145 nan 8.250 nan 0.000 0.438 37 R N 1.414 121.926 120.500 0.020 0.000 2.112 37 R HA -0.177 4.163 4.340 0.000 0.000 0.242 37 R C 2.312 178.638 176.300 0.044 0.000 1.137 37 R CA 1.535 57.650 56.100 0.026 0.000 0.944 37 R CB -0.377 29.916 30.300 -0.012 0.000 0.857 37 R HN 0.124 nan 8.270 nan 0.000 0.435 38 L N 0.434 121.677 121.223 0.033 0.000 2.046 38 L HA -0.198 4.142 4.340 0.000 0.000 0.208 38 L C 2.224 179.145 176.870 0.084 0.000 1.077 38 L CA 1.267 56.150 54.840 0.072 0.000 0.747 38 L CB -0.579 41.516 42.059 0.061 0.000 0.896 38 L HN 0.245 nan 8.230 nan 0.000 0.432 39 D N -0.104 120.332 120.400 0.061 0.000 2.116 39 D HA -0.215 4.425 4.640 0.000 0.000 0.193 39 D C 2.260 178.601 176.300 0.068 0.000 0.998 39 D CA 1.886 55.921 54.000 0.057 0.000 0.836 39 D CB -0.321 40.505 40.800 0.043 0.000 0.951 39 D HN 0.283 nan 8.370 nan 0.000 0.449 40 V N 0.334 120.292 119.914 0.073 0.000 2.287 40 V HA -0.231 3.889 4.120 0.000 0.000 0.248 40 V C 2.352 178.508 176.094 0.103 0.000 1.053 40 V CA 1.692 64.044 62.300 0.086 0.000 1.027 40 V CB -0.648 31.232 31.823 0.095 0.000 0.646 40 V HN 0.049 nan 8.190 nan 0.000 0.447 41 V N 1.651 121.639 119.914 0.123 0.000 2.287 41 V HA -0.282 3.838 4.120 0.000 0.000 0.248 41 V C 2.643 178.799 176.094 0.104 0.000 1.053 41 V CA 2.857 65.241 62.300 0.141 0.000 1.027 41 V CB -1.341 30.621 31.823 0.232 0.000 0.646 41 V HN 0.808 nan 8.190 nan 0.000 0.447 42 N N 0.030 118.788 118.700 0.096 0.000 2.188 42 N HA -0.160 4.580 4.740 0.000 0.000 0.184 42 N C 1.951 177.494 175.510 0.056 0.000 1.018 42 N CA 1.524 54.616 53.050 0.071 0.000 0.858 42 N CB -0.165 38.361 38.487 0.065 0.000 0.989 42 N HN 0.384 nan 8.380 nan 0.000 0.426 43 R N -0.262 120.274 120.500 0.060 0.000 2.062 43 R HA 0.097 4.437 4.340 0.000 0.000 0.229 43 R C 2.201 178.533 176.300 0.054 0.000 1.128 43 R CA 1.271 57.401 56.100 0.051 0.000 0.960 43 R CB -0.257 30.073 30.300 0.050 0.000 0.855 43 R HN 0.310 nan 8.270 nan 0.000 0.432 44 I N 0.089 120.702 120.570 0.072 0.000 2.142 44 I HA -0.274 3.896 4.170 0.000 0.000 0.240 44 I C 2.122 178.271 176.117 0.054 0.000 1.078 44 I CA 1.429 62.777 61.300 0.081 0.000 1.343 44 I CB -0.532 37.541 38.000 0.121 0.000 1.046 44 I HN 0.203 nan 8.210 nan 0.000 0.405 45 T N 1.076 115.655 114.554 0.042 0.000 2.607 45 T HA -0.226 4.124 4.350 0.000 0.000 0.267 45 T C 1.906 176.616 174.700 0.018 0.000 1.049 45 T CA 1.721 63.832 62.100 0.019 0.000 1.162 45 T CB -0.464 68.413 68.868 0.015 0.000 0.863 45 T HN 0.492 nan 8.240 nan 0.000 0.424 46 A N 0.989 123.824 122.820 0.024 0.000 2.259 46 A HA -0.008 4.312 4.320 0.000 0.000 0.212 46 A C 1.559 179.153 177.584 0.018 0.000 1.178 46 A CA 1.076 53.124 52.037 0.019 0.000 0.734 46 A CB -0.579 18.434 19.000 0.022 0.000 0.774 46 A HN 0.625 nan 8.150 nan 0.000 0.481 47 N N -1.591 117.122 118.700 0.021 0.000 2.299 47 N HA 0.363 5.103 4.740 0.000 0.000 0.246 47 N C 1.236 176.757 175.510 0.019 0.000 1.254 47 N CA 0.415 53.476 53.050 0.019 0.000 0.879 47 N CB 0.537 39.036 38.487 0.021 0.000 1.214 47 N HN 0.316 nan 8.380 nan 0.000 0.510 48 A N 0.459 123.288 122.820 0.016 0.000 1.908 48 A HA -0.177 4.143 4.320 0.000 0.000 0.218 48 A C 2.183 179.775 177.584 0.012 0.000 1.181 48 A CA 2.030 54.075 52.037 0.014 0.000 0.627 48 A CB -0.504 18.495 19.000 -0.002 0.000 0.818 48 A HN 0.379 nan 8.150 nan 0.000 0.445 49 S N -1.667 114.038 115.700 0.008 0.000 2.446 49 S HA -0.058 4.412 4.470 0.000 0.000 0.225 49 S C 1.753 176.358 174.600 0.009 0.000 1.016 49 S CA 1.305 59.510 58.200 0.008 0.000 0.943 49 S CB -0.681 62.524 63.200 0.007 0.000 0.786 49 S HN 0.460 nan 8.310 nan 0.000 0.508 50 T N 2.662 117.221 114.554 0.008 0.000 2.777 50 T HA 0.005 4.355 4.350 0.000 0.000 0.266 50 T C 1.903 176.603 174.700 0.000 0.000 1.040 50 T CA 1.279 63.382 62.100 0.004 0.000 1.141 50 T CB -0.494 68.376 68.868 0.004 0.000 0.868 50 T HN 0.249 nan 8.240 nan 0.000 0.444 51 V N 1.333 121.250 119.914 0.006 0.000 2.287 51 V HA -0.173 3.947 4.120 0.000 0.000 0.248 51 V C 2.612 178.705 176.094 -0.001 0.000 1.053 51 V CA 1.486 63.788 62.300 0.004 0.000 1.027 51 V CB -0.728 31.112 31.823 0.029 0.000 0.646 51 V HN 0.313 nan 8.190 nan 0.000 0.447 52 V N 0.802 120.722 119.914 0.009 0.000 2.223 52 V HA -0.255 3.865 4.120 0.000 0.000 0.244 52 V C 2.762 178.848 176.094 -0.014 0.000 1.045 52 V CA 2.451 64.753 62.300 0.004 0.000 1.000 52 V CB -1.125 30.707 31.823 0.015 0.000 0.635 52 V HN 0.753 nan 8.190 nan 0.000 0.445 53 S N 1.118 116.817 115.700 -0.001 0.000 2.365 53 S HA -0.299 4.171 4.470 0.000 0.000 0.225 53 S C 1.840 176.429 174.600 -0.019 0.000 1.039 53 S CA 2.035 60.236 58.200 0.003 0.000 1.033 53 S CB -0.859 62.352 63.200 0.017 0.000 0.887 53 S HN 0.605 nan 8.310 nan 0.000 0.447 54 N N 2.940 121.626 118.700 -0.023 0.000 2.069 54 N HA -0.005 4.735 4.740 0.000 0.000 0.191 54 N C 2.095 177.563 175.510 -0.069 0.000 1.031 54 N CA 1.650 54.679 53.050 -0.035 0.000 0.852 54 N CB -1.255 37.215 38.487 -0.029 0.000 1.018 54 N HN 0.649 nan 8.380 nan 0.000 0.423 55 A N 1.058 123.830 122.820 -0.080 0.000 1.917 55 A HA -0.071 4.249 4.320 0.000 0.000 0.219 55 A C 2.398 179.854 177.584 -0.214 0.000 1.182 55 A CA 2.275 54.241 52.037 -0.118 0.000 0.633 55 A CB -0.979 17.966 19.000 -0.092 0.000 0.819 55 A HN 0.351 nan 8.150 nan 0.000 0.448 56 A N -0.459 122.220 122.820 -0.236 0.000 1.877 56 A HA -0.177 4.143 4.320 0.000 0.000 0.216 56 A C 2.259 179.469 177.584 -0.624 0.000 1.186 56 A CA 1.875 53.616 52.037 -0.494 0.000 0.620 56 A CB -0.540 18.320 19.000 -0.234 0.000 0.822 56 A HN 0.575 nan 8.150 nan 0.000 0.443 57 R N -0.389 119.996 120.500 -0.192 0.000 2.083 57 R HA -0.135 4.205 4.340 0.000 0.000 0.237 57 R C 2.319 178.570 176.300 -0.081 0.000 1.137 57 R CA 1.643 57.722 56.100 -0.035 0.000 0.951 57 R CB -0.471 29.843 30.300 0.024 0.000 0.851 57 R HN 0.435 nan 8.270 nan 0.000 0.434 58 A N 1.123 123.876 122.820 -0.113 0.000 1.908 58 A HA -0.190 4.130 4.320 0.000 0.000 0.218 58 A C 2.054 179.571 177.584 -0.112 0.000 1.181 58 A CA 1.481 53.467 52.037 -0.085 0.000 0.627 58 A CB -0.706 18.246 19.000 -0.079 0.000 0.818 58 A HN 0.417 nan 8.150 nan 0.000 0.445 59 L N -1.200 119.880 121.223 -0.239 0.000 1.989 59 L HA -0.110 4.230 4.340 0.000 0.000 0.211 59 L C 2.152 178.962 176.870 -0.099 0.000 1.071 59 L CA 2.081 56.775 54.840 -0.243 0.000 0.749 59 L CB -0.900 40.909 42.059 -0.417 0.000 0.890 59 L HN 0.332 nan 8.230 nan 0.000 0.431 60 F N 0.225 120.174 119.950 -0.002 0.000 2.216 60 F HA -0.061 4.466 4.527 0.000 0.000 0.300 60 F C 2.579 178.380 175.800 0.001 0.000 1.085 60 F CA 0.779 58.780 58.000 0.002 0.000 1.326 60 F CB -1.772 37.232 39.000 0.007 0.000 1.027 60 F HN 0.222 nan 8.300 nan 0.000 0.497 61 A N -0.305 122.608 122.820 0.155 0.000 1.902 61 A HA -0.223 4.097 4.320 0.000 0.000 0.217 61 A C 2.181 179.799 177.584 0.057 0.000 1.181 61 A CA 1.806 53.895 52.037 0.087 0.000 0.623 61 A CB -0.830 18.200 19.000 0.049 0.000 0.818 61 A HN 0.402 nan 8.150 nan 0.000 0.443 62 E N -0.957 119.267 120.200 0.040 0.000 2.285 62 E HA -0.041 4.309 4.350 0.000 0.000 0.194 62 E C 0.505 177.126 176.600 0.035 0.000 0.997 62 E CA 0.497 56.911 56.400 0.022 0.000 0.845 62 E CB 0.078 29.776 29.700 -0.002 0.000 0.782 62 E HN 0.649 nan 8.360 nan 0.000 0.491 63 Q N -0.564 119.277 119.800 0.067 0.000 3.048 63 Q HA 0.144 4.484 4.340 0.000 0.000 0.337 63 Q C -2.246 173.810 176.000 0.093 0.000 0.845 63 Q CA -1.406 54.440 55.803 0.072 0.000 0.942 63 Q CB 1.573 30.354 28.738 0.072 0.000 1.454 63 Q HN 0.154 nan 8.270 nan 0.000 0.392 64 P HA -0.243 nan 4.420 nan 0.000 0.220 64 P C 1.487 178.801 177.300 0.025 0.000 1.148 64 P CA 1.130 64.259 63.100 0.050 0.000 0.803 64 P CB 0.219 31.935 31.700 0.027 0.000 0.782 65 Q N 0.279 120.091 119.800 0.021 0.000 2.248 65 Q HA -0.167 4.173 4.340 0.000 0.000 0.208 65 Q C 1.835 177.839 176.000 0.007 0.000 0.984 65 Q CA 1.553 57.358 55.803 0.003 0.000 0.875 65 Q CB -1.525 27.214 28.738 0.002 0.000 0.910 65 Q HN 0.315 nan 8.270 nan 0.000 0.433 66 L N 0.715 121.960 121.223 0.037 0.000 2.201 66 L HA -0.023 4.317 4.340 0.000 0.000 0.212 66 L C 2.343 179.199 176.870 -0.023 0.000 1.105 66 L CA 1.173 56.038 54.840 0.042 0.000 0.775 66 L CB -0.279 41.865 42.059 0.142 0.000 0.913 66 L HN 0.322 nan 8.230 nan 0.000 0.440 67 I N -4.128 116.407 120.570 -0.058 0.000 4.154 67 I HA 0.380 4.550 4.170 0.000 0.000 0.334 67 I C 1.003 177.112 176.117 -0.013 0.000 1.371 67 I CA -0.555 60.691 61.300 -0.089 0.000 1.110 67 I CB 0.012 37.861 38.000 -0.251 0.000 1.085 67 I HN -0.087 nan 8.210 nan 0.000 0.398 68 A N 2.876 125.667 122.820 -0.050 0.000 2.498 68 A HA 0.404 4.724 4.320 0.000 0.000 0.239 68 A C -2.258 175.153 177.584 -0.288 0.000 1.068 68 A CA -0.820 51.145 52.037 -0.120 0.000 0.766 68 A CB -0.745 18.197 19.000 -0.096 0.000 1.003 68 A HN 0.146 nan 8.150 nan 0.000 0.497 69 P HA 0.200 nan 4.420 nan 0.000 0.263 69 P C 1.122 178.071 177.300 -0.584 0.000 1.175 69 P CA 1.939 64.273 63.100 -1.276 0.000 0.761 69 P CB 0.554 31.683 31.700 -0.951 0.000 0.794 70 G N 1.515 110.065 108.800 -0.416 0.000 2.254 70 G HA2 -0.147 3.813 3.960 0.000 0.000 0.225 70 G HA3 -0.147 3.813 3.960 0.000 0.000 0.225 70 G C 0.598 175.483 174.900 -0.026 0.000 1.003 70 G CA -0.165 44.863 45.100 -0.120 0.000 0.622 70 G HN 0.892 nan 8.290 nan 0.000 0.507 71 G N -0.521 108.267 108.800 -0.021 0.000 2.537 71 G HA2 0.447 4.407 3.960 0.000 0.000 0.273 71 G HA3 0.447 4.407 3.960 0.000 0.000 0.273 71 G C 0.744 175.682 174.900 0.064 0.000 1.189 71 G CA 0.454 45.566 45.100 0.020 0.000 0.881 71 G HN 0.278 nan 8.290 nan 0.000 0.535 72 N N 0.108 118.832 118.700 0.039 0.000 2.381 72 N HA -0.080 4.660 4.740 0.000 0.000 0.182 72 N C 1.747 177.276 175.510 0.032 0.000 1.025 72 N CA 0.744 53.816 53.050 0.036 0.000 0.888 72 N CB 0.052 38.547 38.487 0.014 0.000 0.965 72 N HN 0.441 nan 8.380 nan 0.000 0.438 73 A N -0.363 122.468 122.820 0.019 0.000 2.500 73 A HA 0.086 4.406 4.320 0.000 0.000 0.267 73 A C -0.162 177.382 177.584 -0.068 0.000 1.290 73 A CA -0.490 51.523 52.037 -0.041 0.000 0.928 73 A CB -0.192 18.744 19.000 -0.106 0.000 1.066 73 A HN 0.399 nan 8.150 nan 0.000 0.516 74 Y N 0.922 121.158 120.300 -0.106 0.000 2.301 74 Y HA 0.469 5.019 4.550 0.000 0.000 0.325 74 Y C 0.179 176.040 175.900 -0.064 0.000 1.203 74 Y CA -0.390 57.653 58.100 -0.096 0.000 1.255 74 Y CB 0.697 39.113 38.460 -0.073 0.000 1.232 74 Y HN 1.032 nan 8.280 nan 0.000 0.501 75 A N 3.065 125.302 122.820 -0.972 0.000 2.435 75 A HA -0.102 4.218 4.320 0.000 0.000 0.686 75 A C 0.808 178.203 177.584 -0.315 0.000 0.138 75 A CA 0.182 51.842 52.037 -0.628 0.000 0.024 75 A CB -1.860 16.923 19.000 -0.361 0.000 3.974 75 A HN 0.980 nan 8.150 nan 0.000 0.548 76 S N 0.771 116.328 115.700 -0.238 0.000 2.365 76 S HA -0.223 4.247 4.470 0.000 0.000 0.225 76 S C 1.599 176.143 174.600 -0.093 0.000 1.039 76 S CA 2.144 60.261 58.200 -0.138 0.000 1.033 76 S CB -0.379 62.758 63.200 -0.105 0.000 0.887 76 S HN 1.126 nan 8.310 nan 0.000 0.447 77 D N 0.817 121.165 120.400 -0.087 0.000 2.154 77 D HA -0.193 4.447 4.640 0.000 0.000 0.190 77 D C 2.203 178.481 176.300 -0.037 0.000 1.003 77 D CA 1.570 55.540 54.000 -0.050 0.000 0.849 77 D CB 0.014 40.786 40.800 -0.047 0.000 0.942 77 D HN 0.300 nan 8.370 nan 0.000 0.446 78 R N -1.034 119.433 120.500 -0.055 0.000 2.075 78 R HA -0.021 4.319 4.340 0.000 0.000 0.226 78 R C 2.321 178.610 176.300 -0.018 0.000 1.114 78 R CA 1.093 57.177 56.100 -0.026 0.000 0.972 78 R CB -0.455 29.831 30.300 -0.025 0.000 0.869 78 R HN 0.297 nan 8.270 nan 0.000 0.437 79 M N 1.455 121.021 119.600 -0.057 0.000 2.073 79 M HA -0.156 4.324 4.480 0.000 0.000 0.258 79 M C 2.186 178.498 176.300 0.021 0.000 1.070 79 M CA 2.009 57.284 55.300 -0.041 0.000 1.103 79 M CB -0.491 32.051 32.600 -0.097 0.000 1.321 79 M HN 0.137 nan 8.290 nan 0.000 0.405 80 A N -0.230 122.592 122.820 0.004 0.000 1.883 80 A HA -0.001 4.319 4.320 0.000 0.000 0.217 80 A C 2.423 180.030 177.584 0.039 0.000 1.186 80 A CA 2.430 54.480 52.037 0.021 0.000 0.624 80 A CB -1.603 17.400 19.000 0.005 0.000 0.822 80 A HN 0.721 nan 8.150 nan 0.000 0.444 81 A N -1.174 121.668 122.820 0.037 0.000 1.940 81 A HA -0.238 4.082 4.320 0.000 0.000 0.219 81 A C 2.420 180.053 177.584 0.081 0.000 1.176 81 A CA 1.881 53.952 52.037 0.056 0.000 0.631 81 A CB -1.388 17.644 19.000 0.054 0.000 0.814 81 A HN 0.846 nan 8.150 nan 0.000 0.446 82 C N -0.645 118.707 119.300 0.087 0.000 2.489 82 C HA 0.043 4.503 4.460 0.000 0.000 0.279 82 C C 2.602 177.663 174.990 0.118 0.000 1.266 82 C CA 1.013 60.100 59.018 0.114 0.000 1.707 82 C CB -1.523 26.309 27.740 0.154 0.000 2.059 82 C HN 0.591 nan 8.230 nan 0.000 0.481 83 L N 0.700 121.996 121.223 0.123 0.000 2.013 83 L HA -0.175 4.165 4.340 0.000 0.000 0.212 83 L C 3.071 179.983 176.870 0.070 0.000 1.073 83 L CA 1.979 56.877 54.840 0.096 0.000 0.753 83 L CB -0.934 41.180 42.059 0.091 0.000 0.890 83 L HN 0.409 nan 8.230 nan 0.000 0.432 84 R N 0.305 120.845 120.500 0.066 0.000 2.103 84 R HA -0.216 4.124 4.340 0.000 0.000 0.242 84 R C 1.787 178.130 176.300 0.071 0.000 1.142 84 R CA 2.249 58.384 56.100 0.058 0.000 0.960 84 R CB -0.278 30.054 30.300 0.054 0.000 0.858 84 R HN 0.388 nan 8.270 nan 0.000 0.439 85 D N -0.040 120.418 120.400 0.097 0.000 2.097 85 D HA -0.159 4.481 4.640 0.000 0.000 0.197 85 D C 2.036 178.400 176.300 0.107 0.000 0.984 85 D CA 1.110 55.185 54.000 0.125 0.000 0.826 85 D CB -0.162 40.755 40.800 0.196 0.000 0.973 85 D HN 0.137 nan 8.370 nan 0.000 0.460 86 M N 0.479 120.130 119.600 0.086 0.000 2.088 86 M HA -0.201 4.279 4.480 0.000 0.000 0.256 86 M C 2.184 178.519 176.300 0.058 0.000 1.071 86 M CA 1.460 56.800 55.300 0.066 0.000 1.097 86 M CB -1.060 31.564 32.600 0.040 0.000 1.315 86 M HN 0.173 nan 8.290 nan 0.000 0.406 87 E N 0.394 120.619 120.200 0.043 0.000 2.072 87 E HA -0.150 4.200 4.350 0.000 0.000 0.191 87 E C 2.070 178.667 176.600 -0.006 0.000 0.985 87 E CA 0.931 57.340 56.400 0.016 0.000 0.801 87 E CB -0.004 29.701 29.700 0.010 0.000 0.750 87 E HN 0.469 nan 8.360 nan 0.000 0.452 88 I N 0.831 121.417 120.570 0.027 0.000 2.127 88 I HA -0.325 3.845 4.170 0.000 0.000 0.241 88 I C 2.409 178.575 176.117 0.081 0.000 1.075 88 I CA 1.168 62.498 61.300 0.050 0.000 1.334 88 I CB -0.249 37.825 38.000 0.123 0.000 1.040 88 I HN 0.186 nan 8.210 nan 0.000 0.405 89 I N 0.030 120.654 120.570 0.090 0.000 2.151 89 I HA -0.332 3.838 4.170 0.000 0.000 0.243 89 I C 2.496 178.610 176.117 -0.005 0.000 1.080 89 I CA 1.376 62.721 61.300 0.075 0.000 1.339 89 I CB -0.371 37.681 38.000 0.087 0.000 1.039 89 I HN 0.248 nan 8.210 nan 0.000 0.409 90 L N 0.876 122.095 121.223 -0.007 0.000 2.046 90 L HA -0.219 4.121 4.340 0.000 0.000 0.208 90 L C 2.644 179.400 176.870 -0.191 0.000 1.077 90 L CA 1.767 56.576 54.840 -0.052 0.000 0.747 90 L CB -0.592 41.492 42.059 0.043 0.000 0.896 90 L HN 0.102 nan 8.230 nan 0.000 0.432 91 R N -1.911 118.432 120.500 -0.262 0.000 2.073 91 R HA -0.229 4.111 4.340 0.000 0.000 0.234 91 R C 2.263 178.000 176.300 -0.938 0.000 1.134 91 R CA 2.061 57.819 56.100 -0.570 0.000 0.952 91 R CB -0.507 29.429 30.300 -0.607 0.000 0.850 91 R HN 0.422 nan 8.270 nan 0.000 0.433 92 Y N -0.312 119.654 120.300 -0.557 0.000 2.373 92 Y HA -0.123 4.427 4.550 0.000 0.000 0.293 92 Y C 2.223 177.920 175.900 -0.339 0.000 1.129 92 Y CA 0.904 58.733 58.100 -0.453 0.000 1.226 92 Y CB -0.061 38.268 38.460 -0.218 0.000 1.000 92 Y HN -0.102 nan 8.280 nan 0.000 0.549 93 V N -0.292 119.487 119.914 -0.225 0.000 2.343 93 V HA -0.313 3.807 4.120 0.000 0.000 0.247 93 V C 2.542 178.481 176.094 -0.258 0.000 1.051 93 V CA 2.427 64.527 62.300 -0.333 0.000 1.036 93 V CB -1.173 30.239 31.823 -0.684 0.000 0.654 93 V HN 0.624 nan 8.190 nan 0.000 0.451 94 T N -2.180 112.238 114.554 -0.227 0.000 2.867 94 T HA -0.223 4.127 4.350 0.000 0.000 0.268 94 T C 1.856 176.575 174.700 0.031 0.000 1.057 94 T CA 1.426 63.474 62.100 -0.087 0.000 1.136 94 T CB -0.488 68.335 68.868 -0.075 0.000 0.874 94 T HN 0.397 nan 8.240 nan 0.000 0.466 95 Y N 2.269 122.497 120.300 -0.121 0.000 2.165 95 Y HA 0.175 4.725 4.550 0.000 0.000 0.286 95 Y C 3.156 179.020 175.900 -0.060 0.000 1.155 95 Y CA 0.029 58.076 58.100 -0.088 0.000 1.164 95 Y CB -1.571 36.825 38.460 -0.108 0.000 0.978 95 Y HN 0.382 nan 8.280 nan 0.000 0.513 96 A N -0.228 122.558 122.820 -0.057 0.000 1.908 96 A HA -0.150 4.170 4.320 0.000 0.000 0.218 96 A C 2.562 179.894 177.584 -0.421 0.000 1.181 96 A CA 2.081 53.859 52.037 -0.433 0.000 0.627 96 A CB -1.207 17.207 19.000 -0.977 0.000 0.818 96 A HN 0.245 nan 8.150 nan 0.000 0.445 97 V N -1.384 118.420 119.914 -0.183 0.000 2.295 97 V HA -0.242 3.878 4.120 0.000 0.000 0.246 97 V C 2.276 178.454 176.094 0.140 0.000 1.049 97 V CA 2.141 64.515 62.300 0.124 0.000 1.024 97 V CB -0.908 31.024 31.823 0.183 0.000 0.648 97 V HN 0.646 nan 8.190 nan 0.000 0.447 98 F N 1.288 121.250 119.950 0.020 0.000 2.126 98 F HA -0.168 4.359 4.527 0.000 0.000 0.299 98 F C 2.156 177.966 175.800 0.017 0.000 1.096 98 F CA 1.666 59.685 58.000 0.031 0.000 1.255 98 F CB -0.231 38.795 39.000 0.043 0.000 0.997 98 F HN 0.087 nan 8.300 nan 0.000 0.479 99 A N -0.298 122.620 122.820 0.163 0.000 2.132 99 A HA 0.316 4.636 4.320 0.000 0.000 0.213 99 A C 1.741 179.314 177.584 -0.018 0.000 1.154 99 A CA 0.695 52.772 52.037 0.066 0.000 0.753 99 A CB -1.250 17.824 19.000 0.123 0.000 0.826 99 A HN 0.929 nan 8.150 nan 0.000 0.469 100 G N -0.553 108.250 108.800 0.004 0.000 2.295 100 G HA2 -0.155 3.805 3.960 0.000 0.000 0.287 100 G HA3 -0.155 3.805 3.960 0.000 0.000 0.287 100 G C -0.310 174.637 174.900 0.079 0.000 1.055 100 G CA 0.719 45.844 45.100 0.042 0.000 0.922 100 G HN 0.853 nan 8.290 nan 0.000 0.503 101 D N -2.230 118.217 120.400 0.079 0.000 2.812 101 D HA 0.589 5.229 4.640 0.000 0.000 0.210 101 D C 0.829 177.148 176.300 0.032 0.000 1.260 101 D CA 0.423 54.491 54.000 0.113 0.000 0.817 101 D CB 0.267 41.141 40.800 0.123 0.000 1.694 101 D HN 0.598 nan 8.370 nan 0.000 0.530 102 A N 2.045 124.948 122.820 0.138 0.000 2.172 102 A HA -0.053 4.267 4.320 0.000 0.000 0.216 102 A C 1.953 179.555 177.584 0.030 0.000 1.154 102 A CA 1.724 53.800 52.037 0.065 0.000 0.701 102 A CB -0.631 18.515 19.000 0.244 0.000 0.789 102 A HN 0.597 nan 8.150 nan 0.000 0.465 103 S N 0.751 116.497 115.700 0.075 0.000 2.359 103 S HA -0.134 4.336 4.470 0.000 0.000 0.224 103 S C 2.154 176.758 174.600 0.006 0.000 1.035 103 S CA 1.347 59.582 58.200 0.058 0.000 1.018 103 S CB -0.984 62.271 63.200 0.092 0.000 0.876 103 S HN 0.961 nan 8.310 nan 0.000 0.448 104 A N 2.336 125.170 122.820 0.024 0.000 1.884 104 A HA -0.124 4.196 4.320 0.000 0.000 0.219 104 A C 2.287 179.916 177.584 0.074 0.000 1.197 104 A CA 2.016 54.106 52.037 0.089 0.000 0.637 104 A CB -1.114 17.995 19.000 0.182 0.000 0.827 104 A HN 0.550 nan 8.150 nan 0.000 0.450 105 L N -0.581 120.667 121.223 0.042 0.000 1.976 105 L HA -0.152 4.188 4.340 0.000 0.000 0.209 105 L C 2.322 179.128 176.870 -0.108 0.000 1.071 105 L CA 2.546 57.358 54.840 -0.048 0.000 0.746 105 L CB -0.663 41.368 42.059 -0.048 0.000 0.890 105 L HN 0.366 nan 8.230 nan 0.000 0.432 106 E N 0.203 120.375 120.200 -0.046 0.000 2.049 106 E HA -0.229 4.121 4.350 0.000 0.000 0.198 106 E C 1.960 178.512 176.600 -0.081 0.000 1.007 106 E CA 1.772 58.147 56.400 -0.042 0.000 0.809 106 E CB -0.443 29.261 29.700 0.007 0.000 0.749 106 E HN 0.619 nan 8.360 nan 0.000 0.450 107 D N -0.247 120.104 120.400 -0.082 0.000 2.120 107 D HA -0.037 4.603 4.640 0.000 0.000 0.202 107 D C 1.725 177.943 176.300 -0.136 0.000 0.972 107 D CA 0.780 54.726 54.000 -0.089 0.000 0.837 107 D CB -0.118 40.635 40.800 -0.078 0.000 0.989 107 D HN 0.100 nan 8.370 nan 0.000 0.469 108 R N -0.719 119.663 120.500 -0.196 0.000 2.334 108 R HA 0.223 4.563 4.340 0.000 0.000 0.216 108 R C 1.070 177.074 176.300 -0.494 0.000 0.905 108 R CA -0.024 55.921 56.100 -0.257 0.000 1.064 108 R CB 0.571 30.791 30.300 -0.134 0.000 1.046 108 R HN 0.201 nan 8.270 nan 0.000 0.508 109 C N -1.162 117.832 119.300 -0.510 0.000 3.071 109 C HA 0.241 4.701 4.460 0.000 0.000 0.408 109 C C 1.922 176.743 174.990 -0.282 0.000 1.708 109 C CA -0.181 58.509 59.018 -0.546 0.000 2.195 109 C CB -0.247 26.989 27.740 -0.841 0.000 2.436 109 C HN 0.328 nan 8.230 nan 0.000 0.572 110 L N 1.999 123.096 121.223 -0.209 0.000 2.179 110 L HA 0.073 4.413 4.340 0.000 0.000 0.208 110 L C 0.611 177.415 176.870 -0.110 0.000 1.096 110 L CA 0.859 55.626 54.840 -0.123 0.000 0.779 110 L CB -0.781 41.237 42.059 -0.069 0.000 0.922 110 L HN 0.503 nan 8.230 nan 0.000 0.443 111 N N 0.795 119.427 118.700 -0.113 0.000 2.452 111 N HA 0.186 4.926 4.740 0.000 0.000 0.266 111 N C 0.940 176.395 175.510 -0.091 0.000 1.175 111 N CA 1.032 54.032 53.050 -0.083 0.000 0.945 111 N CB 0.864 39.308 38.487 -0.070 0.000 1.063 111 N HN 0.294 nan 8.380 nan 0.000 0.472 112 G N 2.584 111.339 108.800 -0.075 0.000 2.179 112 G HA2 -0.313 3.647 3.960 0.000 0.000 0.260 112 G HA3 -0.313 3.647 3.960 0.000 0.000 0.260 112 G C 0.705 175.532 174.900 -0.123 0.000 0.977 112 G CA 0.432 45.483 45.100 -0.081 0.000 0.641 112 G HN 0.574 nan 8.290 nan 0.000 0.533 113 L N 1.152 122.281 121.223 -0.157 0.000 2.056 113 L HA 0.192 4.533 4.340 0.000 0.000 0.207 113 L C 2.780 179.493 176.870 -0.261 0.000 1.078 113 L CA 2.924 57.596 54.840 -0.280 0.000 0.749 113 L CB -0.746 41.148 42.059 -0.275 0.000 0.901 113 L HN 0.485 nan 8.230 nan 0.000 0.433 114 R N -0.258 120.187 120.500 -0.092 0.000 2.096 114 R HA -0.210 4.130 4.340 0.000 0.000 0.240 114 R C 1.972 178.278 176.300 0.009 0.000 1.139 114 R CA 2.022 58.129 56.100 0.012 0.000 0.952 114 R CB -0.347 29.971 30.300 0.030 0.000 0.854 114 R HN 0.538 nan 8.270 nan 0.000 0.436 115 E N 0.083 120.268 120.200 -0.025 0.000 2.110 115 E HA -0.132 4.218 4.350 0.000 0.000 0.193 115 E C 1.938 178.525 176.600 -0.021 0.000 0.988 115 E CA 1.769 58.161 56.400 -0.013 0.000 0.804 115 E CB -0.881 28.809 29.700 -0.017 0.000 0.745 115 E HN 0.381 nan 8.360 nan 0.000 0.458 116 T N 1.445 115.947 114.554 -0.086 0.000 2.622 116 T HA -0.176 4.174 4.350 0.000 0.000 0.266 116 T C 1.738 176.443 174.700 0.008 0.000 1.047 116 T CA 1.706 63.752 62.100 -0.090 0.000 1.159 116 T CB -0.575 68.169 68.868 -0.206 0.000 0.863 116 T HN 0.100 nan 8.240 nan 0.000 0.422 117 Y N 1.528 121.833 120.300 0.009 0.000 2.069 117 Y HA -0.161 4.389 4.550 0.000 0.000 0.278 117 Y C 3.113 179.022 175.900 0.014 0.000 1.175 117 Y CA 0.524 58.632 58.100 0.014 0.000 1.134 117 Y CB -1.347 37.123 38.460 0.017 0.000 0.965 117 Y HN 0.148 nan 8.280 nan 0.000 0.498 118 S N -0.502 115.296 115.700 0.164 0.000 2.359 118 S HA -0.279 4.191 4.470 0.000 0.000 0.223 118 S C 2.364 177.008 174.600 0.072 0.000 1.039 118 S CA 1.433 59.691 58.200 0.096 0.000 1.042 118 S CB -0.727 62.512 63.200 0.065 0.000 0.915 118 S HN 0.521 nan 8.310 nan 0.000 0.439 119 A N 0.544 123.400 122.820 0.060 0.000 1.948 119 A HA -0.099 4.221 4.320 0.000 0.000 0.220 119 A C 2.085 179.702 177.584 0.054 0.000 1.177 119 A CA 1.595 53.659 52.037 0.045 0.000 0.636 119 A CB -0.611 18.407 19.000 0.030 0.000 0.815 119 A HN 0.558 nan 8.150 nan 0.000 0.449 120 L N -2.073 119.199 121.223 0.081 0.000 2.375 120 L HA 0.219 4.559 4.340 0.000 0.000 0.215 120 L C 1.688 178.599 176.870 0.069 0.000 1.108 120 L CA 0.644 55.533 54.840 0.081 0.000 0.830 120 L CB -0.062 42.071 42.059 0.122 0.000 0.959 120 L HN 0.588 nan 8.230 nan 0.000 0.457 121 G N 0.403 109.245 108.800 0.071 0.000 2.149 121 G HA2 -0.244 3.716 3.960 0.000 0.000 0.235 121 G HA3 -0.244 3.716 3.960 0.000 0.000 0.235 121 G C 0.208 175.128 174.900 0.033 0.000 1.018 121 G CA 0.215 45.343 45.100 0.048 0.000 0.728 121 G HN 0.235 nan 8.290 nan 0.000 0.508 122 T N 2.760 117.338 114.554 0.039 0.000 2.814 122 T HA 0.461 4.811 4.350 0.000 0.000 0.297 122 T C -1.715 172.928 174.700 -0.095 0.000 0.956 122 T CA -0.380 61.683 62.100 -0.063 0.000 1.123 122 T CB 1.688 70.451 68.868 -0.175 0.000 0.902 122 T HN 0.244 nan 8.240 nan 0.000 0.528 123 P HA 0.167 nan 4.420 nan 0.000 0.271 123 P C 1.254 178.474 177.300 -0.133 0.000 1.380 123 P CA -0.203 62.853 63.100 -0.073 0.000 0.992 123 P CB 0.409 32.085 31.700 -0.041 0.000 1.230 124 G N 4.207 112.947 108.800 -0.100 0.000 2.556 124 G HA2 -0.377 3.583 3.960 0.000 0.000 0.220 124 G HA3 -0.377 3.583 3.960 0.000 0.000 0.220 124 G C 1.683 176.565 174.900 -0.031 0.000 1.156 124 G CA 1.343 46.407 45.100 -0.059 0.000 0.766 124 G HN 0.534 nan 8.290 nan 0.000 0.583 125 S N 0.307 116.001 115.700 -0.010 0.000 2.387 125 S HA -0.148 4.322 4.470 0.000 0.000 0.230 125 S C 2.417 177.007 174.600 -0.017 0.000 1.035 125 S CA 2.042 60.241 58.200 -0.001 0.000 1.014 125 S CB -0.518 62.684 63.200 0.002 0.000 0.836 125 S HN 0.279 nan 8.310 nan 0.000 0.466 126 S N 1.398 117.075 115.700 -0.038 0.000 2.355 126 S HA -0.033 4.437 4.470 0.000 0.000 0.222 126 S C 2.011 176.580 174.600 -0.051 0.000 1.031 126 S CA 1.269 59.446 58.200 -0.039 0.000 0.993 126 S CB -0.727 62.453 63.200 -0.034 0.000 0.859 126 S HN 0.472 nan 8.310 nan 0.000 0.453 127 V N 2.430 122.290 119.914 -0.090 0.000 2.278 127 V HA -0.298 3.822 4.120 0.000 0.000 0.251 127 V C 2.662 178.756 176.094 0.001 0.000 1.062 127 V CA 1.887 64.146 62.300 -0.068 0.000 1.038 127 V CB -1.398 30.354 31.823 -0.119 0.000 0.646 127 V HN 0.555 nan 8.190 nan 0.000 0.447 128 A N -0.272 122.557 122.820 0.015 0.000 1.908 128 A HA -0.176 4.144 4.320 0.000 0.000 0.218 128 A C 2.405 179.998 177.584 0.017 0.000 1.181 128 A CA 2.206 54.265 52.037 0.036 0.000 0.627 128 A CB -0.755 18.268 19.000 0.038 0.000 0.818 128 A HN 0.360 nan 8.150 nan 0.000 0.445 129 V N -0.053 119.857 119.914 -0.007 0.000 2.343 129 V HA -0.206 3.914 4.120 0.000 0.000 0.247 129 V C 2.819 178.890 176.094 -0.039 0.000 1.051 129 V CA 1.984 64.270 62.300 -0.023 0.000 1.036 129 V CB -1.536 30.269 31.823 -0.030 0.000 0.654 129 V HN 0.625 nan 8.190 nan 0.000 0.451 130 G N -0.105 108.667 108.800 -0.047 0.000 2.446 130 G HA2 -0.227 3.733 3.960 0.000 0.000 0.217 130 G HA3 -0.227 3.733 3.960 0.000 0.000 0.217 130 G C 1.686 176.578 174.900 -0.014 0.000 1.168 130 G CA 1.301 46.364 45.100 -0.062 0.000 0.771 130 G HN 0.369 nan 8.290 nan 0.000 0.551 131 V N 1.800 121.738 119.914 0.040 0.000 2.252 131 V HA -0.149 3.971 4.120 0.000 0.000 0.249 131 V C 3.208 179.339 176.094 0.062 0.000 1.056 131 V CA 2.191 64.562 62.300 0.118 0.000 1.022 131 V CB -1.307 30.612 31.823 0.160 0.000 0.641 131 V HN 0.463 nan 8.190 nan 0.000 0.445 132 G N -0.204 108.604 108.800 0.014 0.000 2.556 132 G HA2 -0.341 3.619 3.960 0.000 0.000 0.220 132 G HA3 -0.341 3.619 3.960 0.000 0.000 0.220 132 G C 1.645 176.475 174.900 -0.116 0.000 1.156 132 G CA 1.397 46.468 45.100 -0.049 0.000 0.766 132 G HN 0.509 nan 8.290 nan 0.000 0.583 133 K N -0.524 119.819 120.400 -0.096 0.000 2.026 133 K HA 0.050 4.370 4.320 0.000 0.000 0.208 133 K C 2.692 179.202 176.600 -0.150 0.000 1.048 133 K CA 1.315 57.535 56.287 -0.111 0.000 0.929 133 K CB -0.243 32.199 32.500 -0.096 0.000 0.713 133 K HN 0.286 nan 8.250 nan 0.000 0.439 134 M N 0.985 120.501 119.600 -0.139 0.000 2.149 134 M HA -0.197 4.284 4.480 0.000 0.000 0.261 134 M C 2.322 178.320 176.300 -0.503 0.000 1.064 134 M CA 1.455 56.656 55.300 -0.164 0.000 1.102 134 M CB -0.090 32.529 32.600 0.031 0.000 1.369 134 M HN 0.048 nan 8.290 nan 0.000 0.408 135 K N 0.544 120.474 120.400 -0.784 0.000 2.026 135 K HA -0.209 4.111 4.320 0.000 0.000 0.208 135 K C 1.654 177.891 176.600 -0.606 0.000 1.048 135 K CA 1.656 57.178 56.287 -1.275 0.000 0.929 135 K CB -0.100 31.951 32.500 -0.748 0.000 0.713 135 K HN 0.415 nan 8.250 nan 0.000 0.439 136 E N -0.298 119.698 120.200 -0.339 0.000 2.051 136 E HA -0.159 4.191 4.350 0.000 0.000 0.192 136 E C 1.916 178.419 176.600 -0.162 0.000 0.991 136 E CA 1.053 57.333 56.400 -0.200 0.000 0.799 136 E CB -0.071 29.548 29.700 -0.135 0.000 0.748 136 E HN 0.428 nan 8.360 nan 0.000 0.449 137 A N 1.222 123.946 122.820 -0.160 0.000 1.930 137 A HA -0.085 4.235 4.320 0.000 0.000 0.217 137 A C 2.320 179.855 177.584 -0.083 0.000 1.175 137 A CA 1.556 53.533 52.037 -0.099 0.000 0.627 137 A CB -0.536 18.416 19.000 -0.080 0.000 0.815 137 A HN 0.311 nan 8.150 nan 0.000 0.443 138 A N -0.004 122.738 122.820 -0.129 0.000 1.851 138 A HA -0.095 4.225 4.320 0.000 0.000 0.216 138 A C 2.185 179.757 177.584 -0.020 0.000 1.195 138 A CA 1.581 53.592 52.037 -0.043 0.000 0.622 138 A CB -0.748 18.236 19.000 -0.026 0.000 0.831 138 A HN 0.459 nan 8.150 nan 0.000 0.444 139 L N -0.857 120.320 121.223 -0.076 0.000 2.042 139 L HA -0.225 4.115 4.340 0.000 0.000 0.210 139 L C 3.104 179.963 176.870 -0.019 0.000 1.076 139 L CA 1.133 55.955 54.840 -0.031 0.000 0.749 139 L CB -0.549 41.473 42.059 -0.062 0.000 0.893 139 L HN 0.480 nan 8.230 nan 0.000 0.432 140 A N -0.031 122.767 122.820 -0.036 0.000 1.972 140 A HA -0.173 4.147 4.320 0.000 0.000 0.219 140 A C 2.176 179.755 177.584 -0.008 0.000 1.169 140 A CA 1.428 53.451 52.037 -0.023 0.000 0.635 140 A CB -0.562 18.419 19.000 -0.031 0.000 0.810 140 A HN 0.370 nan 8.150 nan 0.000 0.446 141 I N -0.334 120.233 120.570 -0.004 0.000 2.353 141 I HA -0.179 3.991 4.170 0.000 0.000 0.248 141 I C 2.518 178.648 176.117 0.022 0.000 1.119 141 I CA 1.318 62.624 61.300 0.011 0.000 1.417 141 I CB -0.051 37.959 38.000 0.017 0.000 1.078 141 I HN 0.323 nan 8.210 nan 0.000 0.421 142 V N -0.008 119.924 119.914 0.031 0.000 2.453 142 V HA -0.141 3.979 4.120 0.000 0.000 0.247 142 V C 1.807 177.917 176.094 0.027 0.000 1.048 142 V CA 1.844 64.168 62.300 0.040 0.000 1.049 142 V CB -0.634 31.225 31.823 0.060 0.000 0.672 142 V HN 0.408 nan 8.190 nan 0.000 0.457 143 N N 1.052 119.762 118.700 0.017 0.000 2.521 143 N HA -0.014 4.726 4.740 0.000 0.000 0.188 143 N C 0.334 175.849 175.510 0.008 0.000 1.146 143 N CA 0.825 53.882 53.050 0.011 0.000 0.893 143 N CB -0.484 38.005 38.487 0.004 0.000 0.975 143 N HN 0.745 nan 8.380 nan 0.000 0.451 144 D N 1.269 121.675 120.400 0.009 0.000 2.401 144 D HA 0.068 4.708 4.640 0.000 0.000 0.254 144 D C -1.558 174.747 176.300 0.008 0.000 1.192 144 D CA -1.565 52.439 54.000 0.007 0.000 0.885 144 D CB 1.227 42.031 40.800 0.007 0.000 1.147 144 D HN 0.015 nan 8.370 nan 0.000 0.478 145 P HA 0.054 nan 4.420 nan 0.000 0.226 145 P C -0.242 177.062 177.300 0.007 0.000 1.153 145 P CA 0.272 63.376 63.100 0.007 0.000 0.777 145 P CB 0.045 31.747 31.700 0.005 0.000 0.794 146 A N 0.487 123.311 122.820 0.007 0.000 2.540 146 A HA 0.410 4.730 4.320 0.000 0.000 0.239 146 A C 1.522 179.112 177.584 0.009 0.000 1.061 146 A CA 0.505 52.547 52.037 0.007 0.000 0.758 146 A CB -1.187 17.817 19.000 0.007 0.000 0.991 146 A HN 0.349 nan 8.150 nan 0.000 0.502 147 G N 0.895 109.700 108.800 0.009 0.000 2.283 147 G HA2 -0.217 3.743 3.960 0.000 0.000 0.280 147 G HA3 -0.217 3.743 3.960 0.000 0.000 0.280 147 G C -0.045 174.862 174.900 0.012 0.000 1.029 147 G CA 0.906 46.012 45.100 0.010 0.000 0.840 147 G HN 1.195 nan 8.290 nan 0.000 0.505 148 I N -0.926 119.651 120.570 0.012 0.000 2.969 148 I HA 0.438 4.608 4.170 0.000 0.000 0.307 148 I C 0.388 176.512 176.117 0.012 0.000 1.149 148 I CA -0.900 60.408 61.300 0.014 0.000 1.008 148 I CB 1.843 39.853 38.000 0.016 0.000 1.232 148 I HN 0.003 nan 8.210 nan 0.000 0.435 149 T N 6.197 120.759 114.554 0.012 0.000 2.867 149 T HA 0.193 4.543 4.350 0.000 0.000 0.297 149 T C -2.344 172.362 174.700 0.010 0.000 0.989 149 T CA -0.381 61.725 62.100 0.010 0.000 1.159 149 T CB 0.009 68.883 68.868 0.011 0.000 0.928 149 T HN 0.281 nan 8.240 nan 0.000 0.538 150 P HA 0.517 nan 4.420 nan 0.000 0.268 150 P C 0.131 177.435 177.300 0.007 0.000 1.205 150 P CA -0.071 63.034 63.100 0.007 0.000 0.771 150 P CB 0.710 32.414 31.700 0.006 0.000 0.858 151 G N 0.686 109.491 108.800 0.007 0.000 2.356 151 G HA2 0.322 4.282 3.960 0.000 0.000 0.294 151 G HA3 0.322 4.282 3.960 0.000 0.000 0.294 151 G C -2.027 172.877 174.900 0.006 0.000 1.423 151 G CA -0.696 44.408 45.100 0.006 0.000 0.806 151 G HN 0.507 nan 8.290 nan 0.000 0.527 152 D N -1.008 119.395 120.400 0.005 0.000 2.316 152 D HA 0.481 5.121 4.640 0.000 0.000 0.245 152 D C 0.717 177.020 176.300 0.006 0.000 1.171 152 D CA -0.269 53.733 54.000 0.004 0.000 0.856 152 D CB 0.720 41.521 40.800 0.002 0.000 1.090 152 D HN 0.354 nan 8.370 nan 0.000 0.476 153 C N 2.898 122.203 119.300 0.007 0.000 3.000 153 C HA 0.108 4.568 4.460 0.000 0.000 0.286 153 C C 2.296 177.291 174.990 0.008 0.000 1.343 153 C CA 0.184 59.209 59.018 0.011 0.000 1.742 153 C CB -1.558 26.192 27.740 0.017 0.000 2.200 153 C HN 0.811 nan 8.230 nan 0.000 0.621 154 S N 2.236 117.938 115.700 0.003 0.000 2.359 154 S HA -0.169 4.301 4.470 0.000 0.000 0.224 154 S C 2.047 176.644 174.600 -0.004 0.000 1.035 154 S CA 1.665 59.865 58.200 -0.000 0.000 1.018 154 S CB -0.445 62.753 63.200 -0.003 0.000 0.876 154 S HN 0.604 nan 8.310 nan 0.000 0.448 155 A N 1.837 124.654 122.820 -0.006 0.000 1.877 155 A HA 0.066 4.386 4.320 0.000 0.000 0.216 155 A C 2.298 179.874 177.584 -0.014 0.000 1.186 155 A CA 1.637 53.666 52.037 -0.013 0.000 0.620 155 A CB -1.023 17.969 19.000 -0.014 0.000 0.822 155 A HN 0.568 nan 8.150 nan 0.000 0.443 156 L N -0.179 121.043 121.223 -0.002 0.000 2.042 156 L HA -0.108 4.232 4.340 0.000 0.000 0.210 156 L C 2.687 179.568 176.870 0.018 0.000 1.076 156 L CA 2.256 57.103 54.840 0.011 0.000 0.749 156 L CB -0.683 41.392 42.059 0.025 0.000 0.893 156 L HN 0.349 nan 8.230 nan 0.000 0.432 157 A N -1.844 120.987 122.820 0.019 0.000 1.972 157 A HA -0.221 4.099 4.320 0.000 0.000 0.219 157 A C 2.521 180.111 177.584 0.010 0.000 1.169 157 A CA 1.892 53.945 52.037 0.027 0.000 0.635 157 A CB -0.981 18.029 19.000 0.017 0.000 0.810 157 A HN 0.539 nan 8.150 nan 0.000 0.446 158 S N -0.874 114.818 115.700 -0.014 0.000 2.357 158 S HA -0.177 4.293 4.470 0.000 0.000 0.221 158 S C 2.009 176.560 174.600 -0.081 0.000 1.031 158 S CA 1.445 59.624 58.200 -0.034 0.000 0.982 158 S CB -0.347 62.832 63.200 -0.036 0.000 0.853 158 S HN 0.666 nan 8.310 nan 0.000 0.458 159 E N 0.350 120.484 120.200 -0.109 0.000 2.049 159 E HA -0.193 4.157 4.350 0.000 0.000 0.198 159 E C 1.961 178.349 176.600 -0.353 0.000 1.007 159 E CA 1.837 58.088 56.400 -0.248 0.000 0.809 159 E CB -0.301 29.308 29.700 -0.151 0.000 0.749 159 E HN 0.643 nan 8.360 nan 0.000 0.450 160 I N 0.765 121.300 120.570 -0.059 0.000 2.226 160 I HA -0.267 3.903 4.170 0.000 0.000 0.245 160 I C 2.619 178.862 176.117 0.209 0.000 1.100 160 I CA 1.002 62.387 61.300 0.141 0.000 1.374 160 I CB -0.387 37.757 38.000 0.240 0.000 1.057 160 I HN 0.171 nan 8.210 nan 0.000 0.413 161 A N 1.114 124.010 122.820 0.127 0.000 1.908 161 A HA -0.159 4.161 4.320 0.000 0.000 0.218 161 A C 2.467 180.114 177.584 0.105 0.000 1.181 161 A CA 2.004 54.126 52.037 0.142 0.000 0.627 161 A CB -1.528 17.497 19.000 0.042 0.000 0.818 161 A HN 0.467 nan 8.150 nan 0.000 0.445 162 G N -1.263 107.502 108.800 -0.058 0.000 2.476 162 G HA2 -0.253 3.707 3.960 0.000 0.000 0.218 162 G HA3 -0.253 3.707 3.960 0.000 0.000 0.218 162 G C 1.431 176.310 174.900 -0.036 0.000 1.164 162 G CA 1.358 46.389 45.100 -0.115 0.000 0.768 162 G HN 0.532 nan 8.290 nan 0.000 0.560 163 Y N 0.056 120.388 120.300 0.054 0.000 2.114 163 Y HA 0.034 4.584 4.550 0.000 0.000 0.284 163 Y C 2.607 178.495 175.900 -0.020 0.000 1.143 163 Y CA 0.548 58.636 58.100 -0.020 0.000 1.135 163 Y CB -1.192 37.210 38.460 -0.097 0.000 0.980 163 Y HN 0.155 nan 8.280 nan 0.000 0.499 164 F N 0.705 120.752 119.950 0.162 0.000 2.063 164 F HA -0.285 4.242 4.527 0.000 0.000 0.298 164 F C 2.231 178.071 175.800 0.068 0.000 1.109 164 F CA 1.971 60.028 58.000 0.095 0.000 1.212 164 F CB -0.701 38.336 39.000 0.061 0.000 0.973 164 F HN 0.068 nan 8.300 nan 0.000 0.480 165 D N -0.192 120.352 120.400 0.240 0.000 2.149 165 D HA -0.169 4.471 4.640 0.000 0.000 0.198 165 D C 2.384 178.747 176.300 0.106 0.000 0.990 165 D CA 1.316 55.398 54.000 0.136 0.000 0.839 165 D CB -0.390 40.459 40.800 0.083 0.000 0.948 165 D HN 0.385 nan 8.370 nan 0.000 0.460 166 R N 0.991 121.554 120.500 0.104 0.000 2.115 166 R HA 0.108 4.448 4.340 0.000 0.000 0.226 166 R C 2.138 178.486 176.300 0.081 0.000 1.100 166 R CA 1.164 57.314 56.100 0.084 0.000 0.980 166 R CB -0.486 29.865 30.300 0.084 0.000 0.875 166 R HN 0.025 nan 8.270 nan 0.000 0.445 167 A N 2.151 125.027 122.820 0.092 0.000 1.873 167 A HA -0.121 4.199 4.320 0.000 0.000 0.218 167 A C 2.616 180.258 177.584 0.097 0.000 1.193 167 A CA 2.106 54.191 52.037 0.080 0.000 0.629 167 A CB -0.914 18.132 19.000 0.077 0.000 0.826 167 A HN 0.547 nan 8.150 nan 0.000 0.447 168 A N -0.220 122.669 122.820 0.116 0.000 1.892 168 A HA 0.067 4.387 4.320 0.000 0.000 0.218 168 A C 2.531 180.162 177.584 0.078 0.000 1.188 168 A CA 2.555 54.651 52.037 0.098 0.000 0.631 168 A CB -1.168 17.887 19.000 0.093 0.000 0.822 168 A HN 1.244 nan 8.150 nan 0.000 0.447 169 A N -0.635 122.227 122.820 0.069 0.000 2.019 169 A HA 0.213 4.533 4.320 0.000 0.000 0.219 169 A C 2.354 179.969 177.584 0.053 0.000 1.164 169 A CA 1.908 53.978 52.037 0.054 0.000 0.644 169 A CB -0.731 18.297 19.000 0.047 0.000 0.805 169 A HN 1.082 nan 8.150 nan 0.000 0.449 170 A N -0.449 122.404 122.820 0.056 0.000 2.067 170 A HA 0.310 4.630 4.320 0.000 0.000 0.217 170 A C 1.812 179.431 177.584 0.059 0.000 1.156 170 A CA 1.309 53.372 52.037 0.043 0.000 0.683 170 A CB -0.764 18.251 19.000 0.026 0.000 0.808 170 A HN 0.899 nan 8.150 nan 0.000 0.455 171 V N -3.964 116.009 119.914 0.098 0.000 6.582 171 V HA 0.646 4.766 4.120 0.000 0.000 0.182 171 V C 1.065 177.242 176.094 0.137 0.000 1.603 171 V CA 0.204 62.609 62.300 0.176 0.000 0.882 171 V CB -0.580 31.416 31.823 0.289 0.000 1.675 171 V HN 0.757 nan 8.190 nan 0.000 0.349 172 S N 0.000 115.768 115.700 0.113 0.000 2.498 172 S HA 0.000 4.470 4.470 0.000 0.000 0.327 172 S CA 0.000 58.239 58.200 0.066 0.000 1.107 172 S CB 0.000 63.234 63.200 0.058 0.000 0.593 172 S HN 0.000 nan 8.310 nan 0.000 0.517