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_T DATA FIRST_RESID 1 DATA SEQUENCE MFDAFTKVAA QADTRGEMVS VAQIDALSQM VAEANKRLDA 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 0.000 175.984 176.300 -0.526 0.000 1.140 1 M CA 0.000 55.053 55.300 -0.412 0.000 0.988 1 M CB 0.000 32.508 32.600 -0.154 0.000 1.302 2 F N 1.095 121.062 119.950 0.030 0.000 2.425 2 F HA 0.681 5.208 4.527 0.000 0.000 0.331 2 F C 0.191 176.017 175.800 0.042 0.000 1.085 2 F CA -0.172 57.851 58.000 0.038 0.000 1.028 2 F CB 1.085 40.105 39.000 0.034 0.000 1.177 2 F HN 0.743 nan 8.300 nan 0.000 0.487 3 D N 0.443 121.001 120.400 0.264 0.000 2.440 3 D HA 0.532 5.172 4.640 0.000 0.000 0.258 3 D C 0.907 177.273 176.300 0.110 0.000 1.092 3 D CA -0.591 53.509 54.000 0.166 0.000 1.016 3 D CB 0.808 41.709 40.800 0.169 0.000 1.141 3 D HN 0.532 nan 8.370 nan 0.000 0.552 4 A N -0.248 122.542 122.820 -0.050 0.000 1.927 4 A HA -0.191 4.129 4.320 0.000 0.000 0.220 4 A C 1.876 179.356 177.584 -0.174 0.000 1.185 4 A CA 1.439 53.370 52.037 -0.178 0.000 0.639 4 A CB -1.151 17.626 19.000 -0.371 0.000 0.820 4 A HN 0.550 nan 8.150 nan 0.000 0.451 5 F N -0.408 119.559 119.950 0.027 0.000 2.060 5 F HA -0.090 4.437 4.527 0.000 0.000 0.295 5 F C 2.854 178.667 175.800 0.022 0.000 1.120 5 F CA 1.772 59.782 58.000 0.017 0.000 1.205 5 F CB -1.257 37.753 39.000 0.018 0.000 0.986 5 F HN 0.100 nan 8.300 nan 0.000 0.470 6 T N -0.426 114.306 114.554 0.296 0.000 2.833 6 T HA -0.212 4.138 4.350 0.000 0.000 0.269 6 T C 1.991 176.757 174.700 0.111 0.000 1.054 6 T CA 1.516 63.760 62.100 0.241 0.000 1.135 6 T CB -0.214 68.836 68.868 0.304 0.000 0.869 6 T HN -0.001 nan 8.240 nan 0.000 0.466 7 K N 1.111 121.516 120.400 0.008 0.000 2.057 7 K HA -0.004 4.316 4.320 0.000 0.000 0.206 7 K C 1.926 178.360 176.600 -0.277 0.000 1.050 7 K CA 1.308 57.388 56.287 -0.345 0.000 0.935 7 K CB -0.766 31.623 32.500 -0.185 0.000 0.715 7 K HN 0.214 nan 8.250 nan 0.000 0.439 8 V N 1.088 120.938 119.914 -0.106 0.000 2.270 8 V HA -0.161 3.959 4.120 0.000 0.000 0.245 8 V C 2.412 178.477 176.094 -0.048 0.000 1.043 8 V CA 1.832 64.091 62.300 -0.068 0.000 1.014 8 V CB -1.088 30.725 31.823 -0.016 0.000 0.645 8 V HN 0.485 nan 8.190 nan 0.000 0.447 9 A N 0.385 123.207 122.820 0.002 0.000 1.903 9 A HA -0.277 4.043 4.320 0.000 0.000 0.219 9 A C 2.451 180.023 177.584 -0.019 0.000 1.191 9 A CA 2.678 54.723 52.037 0.014 0.000 0.638 9 A CB -1.025 18.008 19.000 0.053 0.000 0.823 9 A HN 0.637 nan 8.150 nan 0.000 0.451 10 A N -1.136 121.641 122.820 -0.071 0.000 1.917 10 A HA -0.273 4.047 4.320 0.000 0.000 0.219 10 A C 2.124 179.644 177.584 -0.106 0.000 1.182 10 A CA 1.981 53.956 52.037 -0.104 0.000 0.633 10 A CB -0.548 18.252 19.000 -0.333 0.000 0.819 10 A HN 0.692 nan 8.150 nan 0.000 0.448 11 Q N -1.259 118.461 119.800 -0.134 0.000 2.212 11 Q HA 0.163 4.503 4.340 0.000 0.000 0.199 11 Q C 2.329 178.298 176.000 -0.051 0.000 0.950 11 Q CA 0.851 56.596 55.803 -0.097 0.000 0.863 11 Q CB -0.236 28.439 28.738 -0.106 0.000 0.944 11 Q HN 0.677 nan 8.270 nan 0.000 0.465 12 A N 0.973 123.768 122.820 -0.040 0.000 1.969 12 A HA -0.222 4.098 4.320 0.000 0.000 0.218 12 A C 1.622 179.199 177.584 -0.011 0.000 1.169 12 A CA 1.790 53.815 52.037 -0.020 0.000 0.635 12 A CB -0.407 18.586 19.000 -0.011 0.000 0.810 12 A HN 0.360 nan 8.150 nan 0.000 0.445 13 D N -0.633 119.762 120.400 -0.009 0.000 2.149 13 D HA -0.140 4.500 4.640 0.000 0.000 0.201 13 D C 2.099 178.400 176.300 0.002 0.000 0.972 13 D CA 2.009 56.011 54.000 0.002 0.000 0.835 13 D CB -0.139 40.669 40.800 0.014 0.000 0.966 13 D HN 0.444 nan 8.370 nan 0.000 0.476 14 T N -2.216 112.336 114.554 -0.004 0.000 3.051 14 T HA -0.064 4.286 4.350 0.000 0.000 0.269 14 T C 1.673 176.371 174.700 -0.003 0.000 1.127 14 T CA 0.536 62.636 62.100 -0.001 0.000 1.107 14 T CB -0.247 68.619 68.868 -0.003 0.000 0.898 14 T HN 0.096 nan 8.240 nan 0.000 0.517 15 R N 0.359 120.855 120.500 -0.007 0.000 2.334 15 R HA 0.306 4.646 4.340 0.000 0.000 0.216 15 R C 1.735 178.033 176.300 -0.002 0.000 0.905 15 R CA 0.293 56.390 56.100 -0.005 0.000 1.064 15 R CB -0.025 30.270 30.300 -0.009 0.000 1.046 15 R HN 0.521 nan 8.270 nan 0.000 0.508 16 G N 2.208 111.008 108.800 -0.000 0.000 2.321 16 G HA2 -0.321 3.639 3.960 0.000 0.000 0.287 16 G HA3 -0.321 3.639 3.960 0.000 0.000 0.287 16 G C -0.224 174.676 174.900 0.001 0.000 1.018 16 G CA 0.724 45.825 45.100 0.001 0.000 0.855 16 G HN 0.408 nan 8.290 nan 0.000 0.507 17 E N -0.736 119.463 120.200 -0.001 0.000 2.235 17 E HA 0.641 4.991 4.350 0.000 0.000 0.265 17 E C 0.918 177.518 176.600 0.001 0.000 0.940 17 E CA -1.012 55.388 56.400 -0.001 0.000 0.819 17 E CB 0.817 30.515 29.700 -0.003 0.000 1.206 17 E HN 0.323 nan 8.360 nan 0.000 0.409 18 M N 1.161 120.762 119.600 0.001 0.000 2.255 18 M HA 0.257 4.737 4.480 0.000 0.000 0.336 18 M C -0.143 176.159 176.300 0.004 0.000 1.135 18 M CA -0.800 54.502 55.300 0.003 0.000 1.145 18 M CB 0.686 33.287 32.600 0.003 0.000 1.473 18 M HN 0.189 nan 8.290 nan 0.000 0.462 19 V N 2.331 122.250 119.914 0.007 0.000 2.673 19 V HA -0.003 4.117 4.120 0.000 0.000 0.303 19 V C 0.862 176.961 176.094 0.008 0.000 1.046 19 V CA -0.101 62.205 62.300 0.009 0.000 1.126 19 V CB 0.854 32.690 31.823 0.021 0.000 0.934 19 V HN 1.057 nan 8.190 nan 0.000 0.487 20 S N 4.316 120.019 115.700 0.005 0.000 2.576 20 S HA 0.156 4.626 4.470 0.000 0.000 0.276 20 S C 1.302 175.906 174.600 0.007 0.000 1.339 20 S CA -0.252 57.950 58.200 0.004 0.000 1.039 20 S CB 1.434 64.635 63.200 0.001 0.000 0.902 20 S HN 0.902 nan 8.310 nan 0.000 0.516 21 V N 1.359 121.276 119.914 0.006 0.000 2.313 21 V HA -0.237 3.883 4.120 0.000 0.000 0.253 21 V C 2.796 178.895 176.094 0.007 0.000 1.070 21 V CA 2.149 64.453 62.300 0.007 0.000 1.057 21 V CB -2.395 29.431 31.823 0.005 0.000 0.653 21 V HN 1.058 nan 8.190 nan 0.000 0.450 22 A N 0.955 123.777 122.820 0.004 0.000 1.859 22 A HA -0.335 3.985 4.320 0.000 0.000 0.217 22 A C 2.274 179.861 177.584 0.005 0.000 1.198 22 A CA 2.627 54.666 52.037 0.003 0.000 0.629 22 A CB -0.813 18.186 19.000 -0.001 0.000 0.830 22 A HN 0.730 nan 8.150 nan 0.000 0.446 23 Q N -0.601 119.202 119.800 0.005 0.000 2.124 23 Q HA -0.089 4.251 4.340 0.000 0.000 0.202 23 Q C 2.088 178.101 176.000 0.020 0.000 0.977 23 Q CA 1.456 57.263 55.803 0.007 0.000 0.850 23 Q CB -0.394 28.347 28.738 0.005 0.000 0.901 23 Q HN 0.738 nan 8.270 nan 0.000 0.429 24 I N 1.308 121.894 120.570 0.026 0.000 2.226 24 I HA -0.262 3.908 4.170 0.000 0.000 0.245 24 I C 1.518 177.659 176.117 0.039 0.000 1.100 24 I CA 1.054 62.378 61.300 0.040 0.000 1.374 24 I CB -0.292 37.727 38.000 0.032 0.000 1.057 24 I HN 0.165 nan 8.210 nan 0.000 0.413 25 D N 1.243 121.657 120.400 0.023 0.000 2.092 25 D HA -0.171 4.469 4.640 0.000 0.000 0.193 25 D C 2.273 178.582 176.300 0.015 0.000 0.994 25 D CA 1.622 55.633 54.000 0.018 0.000 0.828 25 D CB -0.369 40.437 40.800 0.010 0.000 0.963 25 D HN 0.318 nan 8.370 nan 0.000 0.450 26 A N 0.901 123.725 122.820 0.007 0.000 1.896 26 A HA -0.235 4.085 4.320 0.000 0.000 0.220 26 A C 2.436 180.014 177.584 -0.009 0.000 1.206 26 A CA 1.613 53.647 52.037 -0.006 0.000 0.647 26 A CB -1.079 17.913 19.000 -0.013 0.000 0.828 26 A HN 0.254 nan 8.150 nan 0.000 0.455 27 L N -1.124 120.104 121.223 0.010 0.000 2.017 27 L HA -0.177 4.163 4.340 0.000 0.000 0.208 27 L C 2.852 179.760 176.870 0.063 0.000 1.073 27 L CA 1.532 56.385 54.840 0.021 0.000 0.745 27 L CB -0.610 41.526 42.059 0.127 0.000 0.894 27 L HN 0.452 nan 8.230 nan 0.000 0.432 28 S N -1.000 114.747 115.700 0.078 0.000 2.413 28 S HA -0.305 4.165 4.470 0.000 0.000 0.237 28 S C 1.953 176.576 174.600 0.039 0.000 1.044 28 S CA 1.742 59.982 58.200 0.067 0.000 1.024 28 S CB -0.146 63.082 63.200 0.046 0.000 0.829 28 S HN 0.432 nan 8.310 nan 0.000 0.475 29 Q N -0.636 119.174 119.800 0.017 0.000 2.259 29 Q HA 0.085 4.425 4.340 0.000 0.000 0.201 29 Q C 2.199 178.195 176.000 -0.008 0.000 0.938 29 Q CA 0.483 56.288 55.803 0.004 0.000 0.872 29 Q CB -0.232 28.505 28.738 -0.003 0.000 0.971 29 Q HN 0.532 nan 8.270 nan 0.000 0.494 30 M N 0.550 120.133 119.600 -0.027 0.000 2.195 30 M HA -0.167 4.313 4.480 0.000 0.000 0.260 30 M C 1.802 178.082 176.300 -0.033 0.000 1.066 30 M CA 1.150 56.415 55.300 -0.058 0.000 1.089 30 M CB -0.143 32.375 32.600 -0.136 0.000 1.377 30 M HN 0.117 nan 8.290 nan 0.000 0.411 31 V N 0.647 120.573 119.914 0.020 0.000 2.307 31 V HA -0.220 3.900 4.120 0.000 0.000 0.245 31 V C 2.598 178.711 176.094 0.032 0.000 1.045 31 V CA 1.843 64.182 62.300 0.064 0.000 1.024 31 V CB -1.290 30.606 31.823 0.122 0.000 0.651 31 V HN 0.629 nan 8.190 nan 0.000 0.449 32 A N -0.608 122.225 122.820 0.022 0.000 2.121 32 A HA -0.122 4.198 4.320 0.000 0.000 0.218 32 A C 1.860 179.449 177.584 0.009 0.000 1.154 32 A CA 1.166 53.213 52.037 0.016 0.000 0.679 32 A CB -0.292 18.715 19.000 0.013 0.000 0.795 32 A HN 0.669 nan 8.150 nan 0.000 0.458 33 E N -0.383 119.818 120.200 0.002 0.000 2.476 33 E HA 0.303 4.653 4.350 0.000 0.000 0.196 33 E C 1.758 178.355 176.600 -0.004 0.000 1.029 33 E CA 0.305 56.705 56.400 -0.001 0.000 0.896 33 E CB 0.038 29.735 29.700 -0.005 0.000 1.012 33 E HN 0.540 nan 8.360 nan 0.000 0.475 34 A N 2.480 125.297 122.820 -0.006 0.000 1.923 34 A HA -0.371 3.949 4.320 0.000 0.000 0.222 34 A C 1.885 179.465 177.584 -0.008 0.000 1.258 34 A CA 2.368 54.396 52.037 -0.014 0.000 0.670 34 A CB -0.935 18.065 19.000 -0.000 0.000 0.834 34 A HN 0.333 nan 8.150 nan 0.000 0.470 35 N N -0.895 117.808 118.700 0.005 0.000 2.166 35 N HA -0.141 4.599 4.740 0.000 0.000 0.186 35 N C 1.772 177.293 175.510 0.018 0.000 1.019 35 N CA 1.368 54.426 53.050 0.013 0.000 0.856 35 N CB -0.145 38.351 38.487 0.015 0.000 0.993 35 N HN 0.574 nan 8.380 nan 0.000 0.426 36 K N 0.910 121.320 120.400 0.016 0.000 2.057 36 K HA -0.104 4.216 4.320 0.000 0.000 0.206 36 K C 2.094 178.712 176.600 0.030 0.000 1.050 36 K CA 0.627 56.928 56.287 0.022 0.000 0.935 36 K CB -0.129 32.382 32.500 0.018 0.000 0.715 36 K HN 0.140 nan 8.250 nan 0.000 0.439 37 R N 1.515 122.027 120.500 0.020 0.000 2.096 37 R HA -0.157 4.183 4.340 0.000 0.000 0.240 37 R C 2.265 178.593 176.300 0.045 0.000 1.139 37 R CA 1.427 57.543 56.100 0.027 0.000 0.952 37 R CB -0.348 29.945 30.300 -0.010 0.000 0.854 37 R HN 0.121 nan 8.270 nan 0.000 0.436 38 L N 0.493 121.736 121.223 0.032 0.000 2.046 38 L HA -0.197 4.143 4.340 0.000 0.000 0.208 38 L C 2.206 179.124 176.870 0.081 0.000 1.077 38 L CA 1.246 56.127 54.840 0.069 0.000 0.747 38 L CB -0.559 41.532 42.059 0.053 0.000 0.896 38 L HN 0.250 nan 8.230 nan 0.000 0.432 39 D N 0.307 120.742 120.400 0.060 0.000 2.104 39 D HA -0.204 4.436 4.640 0.000 0.000 0.194 39 D C 2.224 178.565 176.300 0.068 0.000 0.994 39 D CA 1.637 55.671 54.000 0.057 0.000 0.830 39 D CB -0.037 40.789 40.800 0.043 0.000 0.959 39 D HN 0.327 nan 8.370 nan 0.000 0.452 40 A N 0.711 123.575 122.820 0.073 0.000 1.873 40 A HA -0.203 4.117 4.320 0.000 0.000 0.218 40 A C 2.625 180.272 177.584 0.105 0.000 1.193 40 A CA 1.822 53.912 52.037 0.088 0.000 0.629 40 A CB -0.961 18.095 19.000 0.094 0.000 0.826 40 A HN 0.170 nan 8.150 nan 0.000 0.447 41 V N 0.709 120.697 119.914 0.123 0.000 2.295 41 V HA -0.267 3.853 4.120 0.000 0.000 0.246 41 V C 2.475 178.632 176.094 0.106 0.000 1.049 41 V CA 2.438 64.822 62.300 0.140 0.000 1.024 41 V CB -1.095 30.862 31.823 0.224 0.000 0.648 41 V HN 0.790 nan 8.190 nan 0.000 0.447 42 N N 0.247 119.005 118.700 0.097 0.000 2.120 42 N HA -0.180 4.560 4.740 0.000 0.000 0.188 42 N C 1.962 177.506 175.510 0.056 0.000 1.024 42 N CA 1.647 54.740 53.050 0.071 0.000 0.852 42 N CB -0.183 38.343 38.487 0.065 0.000 1.003 42 N HN 0.375 nan 8.380 nan 0.000 0.424 43 R N -0.315 120.220 120.500 0.059 0.000 2.075 43 R HA 0.051 4.391 4.340 0.000 0.000 0.232 43 R C 2.197 178.529 176.300 0.054 0.000 1.126 43 R CA 1.235 57.365 56.100 0.050 0.000 0.963 43 R CB -0.256 30.073 30.300 0.049 0.000 0.858 43 R HN 0.335 nan 8.270 nan 0.000 0.435 44 I N -0.055 120.558 120.570 0.071 0.000 2.163 44 I HA -0.246 3.924 4.170 0.000 0.000 0.240 44 I C 2.089 178.239 176.117 0.055 0.000 1.081 44 I CA 1.364 62.713 61.300 0.080 0.000 1.353 44 I CB -0.421 37.654 38.000 0.124 0.000 1.054 44 I HN 0.166 nan 8.210 nan 0.000 0.407 45 T N 0.996 115.577 114.554 0.044 0.000 2.635 45 T HA -0.216 4.134 4.350 0.000 0.000 0.267 45 T C 1.915 176.626 174.700 0.019 0.000 1.040 45 T CA 1.624 63.737 62.100 0.021 0.000 1.156 45 T CB -0.433 68.446 68.868 0.018 0.000 0.863 45 T HN 0.480 nan 8.240 nan 0.000 0.430 46 A N 1.037 123.872 122.820 0.025 0.000 2.225 46 A HA -0.025 4.295 4.320 0.000 0.000 0.215 46 A C 1.630 179.225 177.584 0.018 0.000 1.164 46 A CA 1.178 53.227 52.037 0.020 0.000 0.710 46 A CB -0.537 18.477 19.000 0.023 0.000 0.780 46 A HN 0.610 nan 8.150 nan 0.000 0.473 47 N N -1.711 117.001 118.700 0.021 0.000 2.241 47 N HA 0.364 5.104 4.740 0.000 0.000 0.238 47 N C 1.259 176.779 175.510 0.017 0.000 1.244 47 N CA 0.443 53.504 53.050 0.018 0.000 0.880 47 N CB 0.509 39.008 38.487 0.020 0.000 1.179 47 N HN 0.311 nan 8.380 nan 0.000 0.513 48 A N 0.531 123.360 122.820 0.016 0.000 1.908 48 A HA -0.185 4.135 4.320 0.000 0.000 0.218 48 A C 2.196 179.787 177.584 0.011 0.000 1.181 48 A CA 2.080 54.126 52.037 0.014 0.000 0.627 48 A CB -0.620 18.381 19.000 0.000 0.000 0.818 48 A HN 0.380 nan 8.150 nan 0.000 0.445 49 S N -1.392 114.313 115.700 0.007 0.000 2.436 49 S HA -0.089 4.381 4.470 0.000 0.000 0.228 49 S C 1.796 176.400 174.600 0.007 0.000 1.014 49 S CA 1.510 59.714 58.200 0.007 0.000 0.950 49 S CB -0.826 62.378 63.200 0.007 0.000 0.784 49 S HN 0.482 nan 8.310 nan 0.000 0.504 50 T N 2.645 117.202 114.554 0.006 0.000 2.737 50 T HA -0.010 4.340 4.350 0.000 0.000 0.265 50 T C 1.943 176.641 174.700 -0.003 0.000 1.038 50 T CA 1.364 63.465 62.100 0.002 0.000 1.144 50 T CB -0.576 68.293 68.868 0.002 0.000 0.866 50 T HN 0.250 nan 8.240 nan 0.000 0.434 51 V N 1.423 121.338 119.914 0.002 0.000 2.231 51 V HA -0.204 3.916 4.120 0.000 0.000 0.248 51 V C 2.629 178.719 176.094 -0.007 0.000 1.054 51 V CA 1.686 63.985 62.300 -0.001 0.000 1.015 51 V CB -0.872 30.965 31.823 0.022 0.000 0.638 51 V HN 0.305 nan 8.190 nan 0.000 0.444 52 V N 0.843 120.760 119.914 0.005 0.000 2.214 52 V HA -0.293 3.827 4.120 0.000 0.000 0.245 52 V C 2.773 178.855 176.094 -0.020 0.000 1.047 52 V CA 2.665 64.964 62.300 -0.001 0.000 0.998 52 V CB -1.202 30.628 31.823 0.012 0.000 0.633 52 V HN 0.772 nan 8.190 nan 0.000 0.446 53 S N 0.919 116.615 115.700 -0.007 0.000 2.365 53 S HA -0.305 4.165 4.470 0.000 0.000 0.225 53 S C 1.838 176.421 174.600 -0.027 0.000 1.039 53 S CA 2.042 60.240 58.200 -0.004 0.000 1.033 53 S CB -0.865 62.342 63.200 0.013 0.000 0.887 53 S HN 0.611 nan 8.310 nan 0.000 0.447 54 N N 2.787 121.470 118.700 -0.029 0.000 2.104 54 N HA -0.009 4.731 4.740 0.000 0.000 0.190 54 N C 2.052 177.515 175.510 -0.079 0.000 1.024 54 N CA 1.663 54.688 53.050 -0.042 0.000 0.853 54 N CB -1.141 37.326 38.487 -0.033 0.000 1.008 54 N HN 0.663 nan 8.380 nan 0.000 0.424 55 A N 1.008 123.774 122.820 -0.090 0.000 1.877 55 A HA 0.047 4.367 4.320 0.000 0.000 0.216 55 A C 2.404 179.856 177.584 -0.220 0.000 1.186 55 A CA 1.992 53.954 52.037 -0.125 0.000 0.620 55 A CB -0.971 17.971 19.000 -0.096 0.000 0.822 55 A HN 0.317 nan 8.150 nan 0.000 0.443 56 A N -0.122 122.546 122.820 -0.253 0.000 1.873 56 A HA -0.241 4.080 4.320 0.000 0.000 0.218 56 A C 2.278 179.452 177.584 -0.682 0.000 1.193 56 A CA 2.078 53.798 52.037 -0.529 0.000 0.629 56 A CB -0.613 18.213 19.000 -0.291 0.000 0.826 56 A HN 0.576 nan 8.150 nan 0.000 0.447 57 R N -0.441 119.911 120.500 -0.247 0.000 2.083 57 R HA -0.142 4.198 4.340 0.000 0.000 0.237 57 R C 2.309 178.547 176.300 -0.102 0.000 1.137 57 R CA 1.673 57.729 56.100 -0.074 0.000 0.951 57 R CB -0.479 29.828 30.300 0.013 0.000 0.851 57 R HN 0.447 nan 8.270 nan 0.000 0.434 58 A N 1.145 123.888 122.820 -0.128 0.000 1.908 58 A HA -0.179 4.141 4.320 0.000 0.000 0.218 58 A C 2.057 179.573 177.584 -0.113 0.000 1.181 58 A CA 1.396 53.379 52.037 -0.091 0.000 0.627 58 A CB -0.651 18.301 19.000 -0.080 0.000 0.818 58 A HN 0.417 nan 8.150 nan 0.000 0.445 59 L N -1.143 119.940 121.223 -0.234 0.000 2.012 59 L HA -0.113 4.227 4.340 0.000 0.000 0.210 59 L C 2.160 178.973 176.870 -0.095 0.000 1.073 59 L CA 2.077 56.775 54.840 -0.237 0.000 0.748 59 L CB -0.851 40.967 42.059 -0.401 0.000 0.891 59 L HN 0.338 nan 8.230 nan 0.000 0.431 60 F N 0.216 120.164 119.950 -0.002 0.000 2.171 60 F HA -0.065 4.462 4.527 0.000 0.000 0.300 60 F C 2.604 178.405 175.800 0.000 0.000 1.090 60 F CA 0.829 58.829 58.000 0.001 0.000 1.293 60 F CB -1.814 37.190 39.000 0.006 0.000 1.013 60 F HN 0.211 nan 8.300 nan 0.000 0.486 61 A N -0.308 122.606 122.820 0.156 0.000 1.902 61 A HA -0.230 4.090 4.320 0.000 0.000 0.217 61 A C 2.187 179.805 177.584 0.057 0.000 1.181 61 A CA 1.853 53.942 52.037 0.086 0.000 0.623 61 A CB -0.876 18.154 19.000 0.050 0.000 0.818 61 A HN 0.407 nan 8.150 nan 0.000 0.443 62 E N -0.946 119.278 120.200 0.040 0.000 2.208 62 E HA -0.063 4.287 4.350 0.000 0.000 0.193 62 E C 0.541 177.162 176.600 0.036 0.000 0.988 62 E CA 0.671 57.084 56.400 0.023 0.000 0.828 62 E CB 0.072 29.771 29.700 -0.001 0.000 0.763 62 E HN 0.674 nan 8.360 nan 0.000 0.478 63 Q N -0.770 119.071 119.800 0.068 0.000 3.180 63 Q HA 0.141 4.481 4.340 0.000 0.000 0.317 63 Q C -2.240 173.815 176.000 0.092 0.000 0.824 63 Q CA -1.371 54.475 55.803 0.072 0.000 0.926 63 Q CB 1.552 30.334 28.738 0.073 0.000 1.487 63 Q HN 0.132 nan 8.270 nan 0.000 0.389 64 P HA -0.257 nan 4.420 nan 0.000 0.219 64 P C 1.489 178.801 177.300 0.020 0.000 1.146 64 P CA 1.180 64.309 63.100 0.048 0.000 0.808 64 P CB 0.213 31.929 31.700 0.026 0.000 0.779 65 Q N 0.285 120.095 119.800 0.017 0.000 2.234 65 Q HA -0.171 4.169 4.340 0.000 0.000 0.206 65 Q C 1.898 177.899 176.000 0.002 0.000 0.980 65 Q CA 1.560 57.362 55.803 -0.001 0.000 0.869 65 Q CB -1.525 27.214 28.738 0.001 0.000 0.912 65 Q HN 0.304 nan 8.270 nan 0.000 0.436 66 L N 0.734 121.976 121.223 0.032 0.000 2.131 66 L HA -0.097 4.243 4.340 0.000 0.000 0.210 66 L C 2.462 179.309 176.870 -0.038 0.000 1.092 66 L CA 1.515 56.375 54.840 0.033 0.000 0.759 66 L CB -0.354 41.788 42.059 0.138 0.000 0.903 66 L HN 0.360 nan 8.230 nan 0.000 0.435 67 I N -4.271 116.254 120.570 -0.075 0.000 4.181 67 I HA 0.350 4.520 4.170 0.000 0.000 0.331 67 I C 1.147 177.242 176.117 -0.037 0.000 1.312 67 I CA -0.469 60.762 61.300 -0.115 0.000 1.146 67 I CB -0.039 37.792 38.000 -0.281 0.000 1.074 67 I HN -0.078 nan 8.210 nan 0.000 0.402 68 A N 2.927 125.705 122.820 -0.071 0.000 2.531 68 A HA 0.355 4.675 4.320 0.000 0.000 0.236 68 A C -2.254 175.149 177.584 -0.301 0.000 1.062 68 A CA -0.708 51.247 52.037 -0.136 0.000 0.760 68 A CB -0.836 18.101 19.000 -0.104 0.000 0.995 68 A HN 0.147 nan 8.150 nan 0.000 0.501 69 P HA 0.217 nan 4.420 nan 0.000 0.264 69 P C 1.130 178.091 177.300 -0.565 0.000 1.183 69 P CA 1.904 64.280 63.100 -1.207 0.000 0.763 69 P CB 0.561 31.729 31.700 -0.888 0.000 0.807 70 G N 1.479 110.035 108.800 -0.407 0.000 2.258 70 G HA2 -0.166 3.794 3.960 0.000 0.000 0.233 70 G HA3 -0.166 3.794 3.960 0.000 0.000 0.233 70 G C 0.638 175.527 174.900 -0.019 0.000 1.006 70 G CA -0.130 44.905 45.100 -0.108 0.000 0.620 70 G HN 0.896 nan 8.290 nan 0.000 0.511 71 G N -0.464 108.324 108.800 -0.020 0.000 2.572 71 G HA2 0.426 4.386 3.960 0.000 0.000 0.261 71 G HA3 0.426 4.386 3.960 0.000 0.000 0.261 71 G C 0.795 175.731 174.900 0.060 0.000 1.197 71 G CA 0.492 45.601 45.100 0.016 0.000 0.870 71 G HN 0.300 nan 8.290 nan 0.000 0.548 72 N N 0.305 119.026 118.700 0.035 0.000 2.364 72 N HA -0.101 4.639 4.740 0.000 0.000 0.183 72 N C 1.784 177.309 175.510 0.025 0.000 1.022 72 N CA 0.861 53.929 53.050 0.031 0.000 0.883 72 N CB 0.048 38.542 38.487 0.011 0.000 0.965 72 N HN 0.450 nan 8.380 nan 0.000 0.438 73 A N -0.483 122.342 122.820 0.008 0.000 2.465 73 A HA 0.081 4.401 4.320 0.000 0.000 0.255 73 A C -0.035 177.504 177.584 -0.075 0.000 1.274 73 A CA -0.491 51.515 52.037 -0.053 0.000 0.920 73 A CB -0.159 18.764 19.000 -0.128 0.000 1.033 73 A HN 0.396 nan 8.150 nan 0.000 0.516 74 Y N 0.944 121.175 120.300 -0.115 0.000 2.301 74 Y HA 0.466 5.016 4.550 0.000 0.000 0.325 74 Y C 0.177 176.035 175.900 -0.070 0.000 1.203 74 Y CA -0.412 57.626 58.100 -0.104 0.000 1.255 74 Y CB 0.648 39.060 38.460 -0.079 0.000 1.232 74 Y HN 1.038 nan 8.280 nan 0.000 0.501 75 A N 2.930 125.155 122.820 -0.991 0.000 2.435 75 A HA -0.089 4.231 4.320 0.000 0.000 0.686 75 A C 0.796 178.181 177.584 -0.331 0.000 0.138 75 A CA 0.151 51.793 52.037 -0.659 0.000 0.024 75 A CB -1.869 16.901 19.000 -0.383 0.000 3.974 75 A HN 0.985 nan 8.150 nan 0.000 0.548 76 S N 0.782 116.335 115.700 -0.245 0.000 2.365 76 S HA -0.217 4.253 4.470 0.000 0.000 0.225 76 S C 1.577 176.119 174.600 -0.097 0.000 1.039 76 S CA 2.138 60.253 58.200 -0.141 0.000 1.033 76 S CB -0.402 62.735 63.200 -0.104 0.000 0.887 76 S HN 1.102 nan 8.310 nan 0.000 0.447 77 D N 0.739 121.083 120.400 -0.092 0.000 2.154 77 D HA -0.195 4.445 4.640 0.000 0.000 0.190 77 D C 2.241 178.516 176.300 -0.041 0.000 1.003 77 D CA 1.563 55.530 54.000 -0.055 0.000 0.849 77 D CB 0.042 40.810 40.800 -0.053 0.000 0.942 77 D HN 0.272 nan 8.370 nan 0.000 0.446 78 R N -1.004 119.460 120.500 -0.060 0.000 2.075 78 R HA -0.025 4.315 4.340 0.000 0.000 0.226 78 R C 2.325 178.613 176.300 -0.020 0.000 1.114 78 R CA 1.073 57.154 56.100 -0.031 0.000 0.972 78 R CB -0.432 29.848 30.300 -0.034 0.000 0.869 78 R HN 0.308 nan 8.270 nan 0.000 0.437 79 M N 1.349 120.914 119.600 -0.058 0.000 2.073 79 M HA -0.179 4.301 4.480 0.000 0.000 0.258 79 M C 2.192 178.507 176.300 0.025 0.000 1.070 79 M CA 2.140 57.418 55.300 -0.037 0.000 1.103 79 M CB -0.472 32.074 32.600 -0.091 0.000 1.321 79 M HN 0.132 nan 8.290 nan 0.000 0.405 80 A N -0.209 122.614 122.820 0.005 0.000 1.908 80 A HA -0.025 4.295 4.320 0.000 0.000 0.218 80 A C 2.418 180.026 177.584 0.040 0.000 1.181 80 A CA 2.449 54.500 52.037 0.022 0.000 0.627 80 A CB -1.597 17.406 19.000 0.005 0.000 0.818 80 A HN 0.744 nan 8.150 nan 0.000 0.445 81 A N -1.175 121.667 122.820 0.037 0.000 1.940 81 A HA -0.212 4.108 4.320 0.000 0.000 0.219 81 A C 2.431 180.063 177.584 0.080 0.000 1.176 81 A CA 1.827 53.897 52.037 0.055 0.000 0.631 81 A CB -1.367 17.664 19.000 0.053 0.000 0.814 81 A HN 0.891 nan 8.150 nan 0.000 0.446 82 C N -0.519 118.833 119.300 0.086 0.000 2.489 82 C HA 0.040 4.500 4.460 0.000 0.000 0.279 82 C C 2.594 177.655 174.990 0.117 0.000 1.266 82 C CA 1.020 60.105 59.018 0.112 0.000 1.707 82 C CB -1.563 26.268 27.740 0.151 0.000 2.059 82 C HN 0.579 nan 8.230 nan 0.000 0.481 83 L N 0.801 122.099 121.223 0.124 0.000 2.013 83 L HA -0.188 4.152 4.340 0.000 0.000 0.212 83 L C 3.073 179.984 176.870 0.069 0.000 1.073 83 L CA 2.086 56.983 54.840 0.095 0.000 0.753 83 L CB -0.953 41.161 42.059 0.092 0.000 0.890 83 L HN 0.411 nan 8.230 nan 0.000 0.432 84 R N 0.168 120.707 120.500 0.066 0.000 2.133 84 R HA -0.223 4.117 4.340 0.000 0.000 0.247 84 R C 1.740 178.083 176.300 0.072 0.000 1.151 84 R CA 2.223 58.358 56.100 0.058 0.000 0.971 84 R CB -0.230 30.104 30.300 0.056 0.000 0.866 84 R HN 0.399 nan 8.270 nan 0.000 0.447 85 D N -0.394 120.063 120.400 0.096 0.000 2.137 85 D HA -0.091 4.549 4.640 0.000 0.000 0.202 85 D C 2.043 178.407 176.300 0.107 0.000 0.970 85 D CA 0.860 54.935 54.000 0.124 0.000 0.837 85 D CB -0.089 40.826 40.800 0.192 0.000 0.981 85 D HN 0.127 nan 8.370 nan 0.000 0.475 86 M N 0.529 120.180 119.600 0.086 0.000 2.088 86 M HA -0.187 4.293 4.480 0.000 0.000 0.256 86 M C 2.160 178.496 176.300 0.059 0.000 1.071 86 M CA 1.417 56.757 55.300 0.067 0.000 1.097 86 M CB -1.008 31.614 32.600 0.038 0.000 1.315 86 M HN 0.147 nan 8.290 nan 0.000 0.406 87 E N 0.551 120.778 120.200 0.044 0.000 2.077 87 E HA -0.159 4.191 4.350 0.000 0.000 0.193 87 E C 2.057 178.654 176.600 -0.005 0.000 0.989 87 E CA 1.017 57.426 56.400 0.017 0.000 0.800 87 E CB -0.015 29.691 29.700 0.010 0.000 0.746 87 E HN 0.464 nan 8.360 nan 0.000 0.452 88 I N 0.877 121.464 120.570 0.029 0.000 2.127 88 I HA -0.331 3.839 4.170 0.000 0.000 0.241 88 I C 2.415 178.586 176.117 0.089 0.000 1.075 88 I CA 1.188 62.522 61.300 0.056 0.000 1.334 88 I CB -0.281 37.794 38.000 0.125 0.000 1.040 88 I HN 0.197 nan 8.210 nan 0.000 0.405 89 I N 0.113 120.739 120.570 0.093 0.000 2.151 89 I HA -0.339 3.831 4.170 0.000 0.000 0.243 89 I C 2.523 178.639 176.117 -0.002 0.000 1.080 89 I CA 1.468 62.814 61.300 0.077 0.000 1.339 89 I CB -0.412 37.643 38.000 0.093 0.000 1.039 89 I HN 0.263 nan 8.210 nan 0.000 0.409 90 L N 0.854 122.075 121.223 -0.003 0.000 2.093 90 L HA -0.184 4.156 4.340 0.000 0.000 0.208 90 L C 2.643 179.401 176.870 -0.187 0.000 1.085 90 L CA 1.660 56.474 54.840 -0.044 0.000 0.755 90 L CB -0.570 41.518 42.059 0.049 0.000 0.904 90 L HN 0.087 nan 8.230 nan 0.000 0.435 91 R N -1.903 118.439 120.500 -0.263 0.000 2.081 91 R HA -0.222 4.118 4.340 0.000 0.000 0.235 91 R C 2.230 177.966 176.300 -0.940 0.000 1.131 91 R CA 2.003 57.755 56.100 -0.579 0.000 0.960 91 R CB -0.469 29.452 30.300 -0.631 0.000 0.856 91 R HN 0.414 nan 8.270 nan 0.000 0.436 92 Y N -0.191 119.777 120.300 -0.553 0.000 2.263 92 Y HA -0.141 4.409 4.550 0.000 0.000 0.292 92 Y C 2.303 177.998 175.900 -0.340 0.000 1.130 92 Y CA 1.074 58.900 58.100 -0.457 0.000 1.179 92 Y CB -0.239 38.091 38.460 -0.217 0.000 0.998 92 Y HN -0.133 nan 8.280 nan 0.000 0.532 93 V N -0.074 119.703 119.914 -0.228 0.000 2.282 93 V HA -0.380 3.740 4.120 0.000 0.000 0.249 93 V C 2.555 178.484 176.094 -0.274 0.000 1.057 93 V CA 2.580 64.669 62.300 -0.351 0.000 1.032 93 V CB -1.410 29.990 31.823 -0.705 0.000 0.645 93 V HN 0.649 nan 8.190 nan 0.000 0.447 94 T N -2.326 112.087 114.554 -0.236 0.000 2.833 94 T HA -0.233 4.117 4.350 0.000 0.000 0.269 94 T C 1.848 176.575 174.700 0.046 0.000 1.054 94 T CA 1.562 63.610 62.100 -0.086 0.000 1.135 94 T CB -0.501 68.324 68.868 -0.072 0.000 0.869 94 T HN 0.398 nan 8.240 nan 0.000 0.466 95 Y N 2.329 122.550 120.300 -0.131 0.000 2.128 95 Y HA 0.149 4.699 4.550 0.000 0.000 0.284 95 Y C 3.195 179.054 175.900 -0.067 0.000 1.154 95 Y CA 0.104 58.144 58.100 -0.100 0.000 1.149 95 Y CB -1.604 36.783 38.460 -0.121 0.000 0.976 95 Y HN 0.378 nan 8.280 nan 0.000 0.505 96 A N -0.156 122.623 122.820 -0.068 0.000 1.883 96 A HA -0.164 4.156 4.320 0.000 0.000 0.217 96 A C 2.583 179.919 177.584 -0.414 0.000 1.186 96 A CA 2.171 53.959 52.037 -0.415 0.000 0.624 96 A CB -1.254 17.171 19.000 -0.958 0.000 0.822 96 A HN 0.243 nan 8.150 nan 0.000 0.444 97 V N -1.310 118.466 119.914 -0.232 0.000 2.287 97 V HA -0.271 3.849 4.120 0.000 0.000 0.248 97 V C 2.297 178.469 176.094 0.132 0.000 1.053 97 V CA 2.277 64.640 62.300 0.105 0.000 1.027 97 V CB -0.924 31.002 31.823 0.171 0.000 0.646 97 V HN 0.651 nan 8.190 nan 0.000 0.447 98 F N 1.198 121.157 119.950 0.015 0.000 2.171 98 F HA -0.155 4.372 4.527 0.000 0.000 0.300 98 F C 2.149 177.960 175.800 0.018 0.000 1.090 98 F CA 1.612 59.629 58.000 0.029 0.000 1.293 98 F CB -0.258 38.765 39.000 0.038 0.000 1.013 98 F HN 0.084 nan 8.300 nan 0.000 0.486 99 A N -0.320 122.606 122.820 0.178 0.000 2.081 99 A HA 0.314 4.634 4.320 0.000 0.000 0.214 99 A C 1.828 179.411 177.584 -0.003 0.000 1.158 99 A CA 0.749 52.840 52.037 0.089 0.000 0.724 99 A CB -1.239 17.840 19.000 0.132 0.000 0.826 99 A HN 0.955 nan 8.150 nan 0.000 0.463 100 G N -0.741 108.066 108.800 0.012 0.000 2.221 100 G HA2 -0.183 3.777 3.960 0.000 0.000 0.265 100 G HA3 -0.183 3.777 3.960 0.000 0.000 0.265 100 G C -0.270 174.682 174.900 0.087 0.000 1.041 100 G CA 0.686 45.811 45.100 0.042 0.000 0.807 100 G HN 0.828 nan 8.290 nan 0.000 0.502 101 D N -2.226 118.227 120.400 0.088 0.000 2.878 101 D HA 0.622 5.262 4.640 0.000 0.000 0.211 101 D C 0.835 177.166 176.300 0.051 0.000 1.271 101 D CA 0.409 54.484 54.000 0.125 0.000 0.845 101 D CB 0.458 41.338 40.800 0.133 0.000 1.679 101 D HN 0.543 nan 8.370 nan 0.000 0.536 102 A N 2.043 124.958 122.820 0.159 0.000 2.172 102 A HA -0.039 4.281 4.320 0.000 0.000 0.216 102 A C 1.986 179.602 177.584 0.054 0.000 1.154 102 A CA 1.627 53.717 52.037 0.088 0.000 0.701 102 A CB -0.650 18.512 19.000 0.270 0.000 0.789 102 A HN 0.600 nan 8.150 nan 0.000 0.465 103 S N 0.799 116.557 115.700 0.097 0.000 2.353 103 S HA -0.167 4.303 4.470 0.000 0.000 0.222 103 S C 2.149 176.760 174.600 0.020 0.000 1.035 103 S CA 1.473 59.718 58.200 0.076 0.000 1.025 103 S CB -1.032 62.238 63.200 0.115 0.000 0.902 103 S HN 1.022 nan 8.310 nan 0.000 0.440 104 A N 2.144 124.984 122.820 0.033 0.000 1.915 104 A HA -0.124 4.196 4.320 0.000 0.000 0.220 104 A C 2.319 179.949 177.584 0.075 0.000 1.198 104 A CA 2.070 54.159 52.037 0.087 0.000 0.647 104 A CB -1.038 18.068 19.000 0.176 0.000 0.825 104 A HN 0.634 nan 8.150 nan 0.000 0.456 105 L N -0.839 120.409 121.223 0.042 0.000 2.044 105 L HA -0.065 4.275 4.340 0.000 0.000 0.205 105 L C 2.207 179.025 176.870 -0.088 0.000 1.075 105 L CA 2.291 57.115 54.840 -0.027 0.000 0.747 105 L CB -0.614 41.423 42.059 -0.036 0.000 0.903 105 L HN 0.328 nan 8.230 nan 0.000 0.435 106 E N 0.363 120.543 120.200 -0.033 0.000 2.070 106 E HA -0.228 4.122 4.350 0.000 0.000 0.197 106 E C 1.900 178.457 176.600 -0.071 0.000 1.004 106 E CA 1.785 58.167 56.400 -0.031 0.000 0.805 106 E CB -0.356 29.354 29.700 0.017 0.000 0.744 106 E HN 0.613 nan 8.360 nan 0.000 0.451 107 D N -0.277 120.079 120.400 -0.073 0.000 2.162 107 D HA -0.027 4.613 4.640 0.000 0.000 0.205 107 D C 1.769 177.992 176.300 -0.128 0.000 0.964 107 D CA 0.736 54.686 54.000 -0.083 0.000 0.847 107 D CB -0.081 40.676 40.800 -0.073 0.000 0.988 107 D HN 0.105 nan 8.370 nan 0.000 0.480 108 R N -0.720 119.668 120.500 -0.188 0.000 2.334 108 R HA 0.219 4.559 4.340 0.000 0.000 0.216 108 R C 1.238 177.226 176.300 -0.520 0.000 0.905 108 R CA 0.032 55.970 56.100 -0.269 0.000 1.064 108 R CB 0.551 30.766 30.300 -0.143 0.000 1.046 108 R HN 0.200 nan 8.270 nan 0.000 0.508 109 C N -1.116 117.876 119.300 -0.513 0.000 3.003 109 C HA 0.270 4.730 4.460 0.000 0.000 0.499 109 C C 1.971 176.800 174.990 -0.269 0.000 1.327 109 C CA -0.209 58.494 59.018 -0.525 0.000 2.544 109 C CB -0.255 27.007 27.740 -0.797 0.000 3.143 109 C HN 0.329 nan 8.230 nan 0.000 0.510 110 L N 1.846 122.950 121.223 -0.197 0.000 2.131 110 L HA 0.086 4.426 4.340 0.000 0.000 0.206 110 L C 0.659 177.467 176.870 -0.103 0.000 1.087 110 L CA 0.894 55.665 54.840 -0.115 0.000 0.767 110 L CB -0.843 41.178 42.059 -0.064 0.000 0.917 110 L HN 0.479 nan 8.230 nan 0.000 0.441 111 N N 0.875 119.513 118.700 -0.103 0.000 2.434 111 N HA 0.109 4.849 4.740 0.000 0.000 0.268 111 N C 0.937 176.394 175.510 -0.089 0.000 1.256 111 N CA 1.161 54.164 53.050 -0.078 0.000 0.914 111 N CB 0.735 39.182 38.487 -0.067 0.000 1.088 111 N HN 0.353 nan 8.380 nan 0.000 0.478 112 G N 2.666 111.422 108.800 -0.074 0.000 2.205 112 G HA2 -0.324 3.636 3.960 0.000 0.000 0.261 112 G HA3 -0.324 3.636 3.960 0.000 0.000 0.261 112 G C 0.754 175.582 174.900 -0.120 0.000 0.980 112 G CA 0.424 45.476 45.100 -0.080 0.000 0.632 112 G HN 0.582 nan 8.290 nan 0.000 0.533 113 L N 1.252 122.382 121.223 -0.155 0.000 2.017 113 L HA 0.138 4.478 4.340 0.000 0.000 0.208 113 L C 2.778 179.488 176.870 -0.266 0.000 1.073 113 L CA 3.063 57.739 54.840 -0.274 0.000 0.745 113 L CB -0.729 41.171 42.059 -0.264 0.000 0.894 113 L HN 0.494 nan 8.230 nan 0.000 0.432 114 R N -0.351 120.087 120.500 -0.103 0.000 2.096 114 R HA -0.205 4.135 4.340 0.000 0.000 0.240 114 R C 2.003 178.301 176.300 -0.003 0.000 1.139 114 R CA 1.954 58.051 56.100 -0.004 0.000 0.952 114 R CB -0.341 29.971 30.300 0.021 0.000 0.854 114 R HN 0.581 nan 8.270 nan 0.000 0.436 115 E N -0.004 120.176 120.200 -0.033 0.000 2.072 115 E HA -0.126 4.224 4.350 0.000 0.000 0.191 115 E C 1.909 178.493 176.600 -0.027 0.000 0.985 115 E CA 1.722 58.111 56.400 -0.018 0.000 0.801 115 E CB -0.840 28.849 29.700 -0.019 0.000 0.750 115 E HN 0.355 nan 8.360 nan 0.000 0.452 116 T N 1.413 115.912 114.554 -0.092 0.000 2.635 116 T HA -0.181 4.169 4.350 0.000 0.000 0.267 116 T C 1.749 176.439 174.700 -0.017 0.000 1.040 116 T CA 1.744 63.783 62.100 -0.102 0.000 1.156 116 T CB -0.558 68.181 68.868 -0.215 0.000 0.863 116 T HN 0.118 nan 8.240 nan 0.000 0.430 117 Y N 1.396 121.702 120.300 0.009 0.000 2.151 117 Y HA -0.114 4.436 4.550 0.000 0.000 0.284 117 Y C 3.092 179.000 175.900 0.014 0.000 1.166 117 Y CA 0.371 58.480 58.100 0.015 0.000 1.163 117 Y CB -1.238 37.233 38.460 0.018 0.000 0.974 117 Y HN 0.156 nan 8.280 nan 0.000 0.511 118 S N -0.561 115.233 115.700 0.157 0.000 2.356 118 S HA -0.209 4.261 4.470 0.000 0.000 0.223 118 S C 2.349 176.991 174.600 0.070 0.000 1.032 118 S CA 1.114 59.371 58.200 0.095 0.000 1.005 118 S CB -0.573 62.664 63.200 0.063 0.000 0.867 118 S HN 0.495 nan 8.310 nan 0.000 0.449 119 A N 0.962 123.817 122.820 0.058 0.000 1.908 119 A HA -0.033 4.287 4.320 0.000 0.000 0.218 119 A C 2.119 179.735 177.584 0.053 0.000 1.181 119 A CA 1.412 53.474 52.037 0.043 0.000 0.627 119 A CB -0.710 18.307 19.000 0.028 0.000 0.818 119 A HN 0.536 nan 8.150 nan 0.000 0.445 120 L N -1.717 119.553 121.223 0.078 0.000 2.156 120 L HA 0.104 4.444 4.340 0.000 0.000 0.208 120 L C 1.841 178.753 176.870 0.070 0.000 1.095 120 L CA 0.886 55.775 54.840 0.081 0.000 0.770 120 L CB -0.326 41.807 42.059 0.123 0.000 0.914 120 L HN 0.627 nan 8.230 nan 0.000 0.439 121 G N -0.306 108.539 108.800 0.075 0.000 2.130 121 G HA2 -0.225 3.735 3.960 0.000 0.000 0.216 121 G HA3 -0.225 3.735 3.960 0.000 0.000 0.216 121 G C 0.226 175.148 174.900 0.037 0.000 0.999 121 G CA 0.084 45.215 45.100 0.052 0.000 0.686 121 G HN 0.227 nan 8.290 nan 0.000 0.515 122 T N 3.035 117.618 114.554 0.048 0.000 2.851 122 T HA 0.479 4.829 4.350 0.000 0.000 0.298 122 T C -1.806 172.845 174.700 -0.081 0.000 0.977 122 T CA -0.360 61.706 62.100 -0.057 0.000 1.126 122 T CB 1.734 70.493 68.868 -0.182 0.000 0.916 122 T HN 0.207 nan 8.240 nan 0.000 0.529 123 P HA 0.181 nan 4.420 nan 0.000 0.268 123 P C 1.193 178.426 177.300 -0.110 0.000 1.541 123 P CA -0.230 62.831 63.100 -0.065 0.000 1.093 123 P CB 0.322 32.002 31.700 -0.035 0.000 1.551 124 G N 3.872 112.634 108.800 -0.064 0.000 2.503 124 G HA2 -0.343 3.617 3.960 0.000 0.000 0.221 124 G HA3 -0.343 3.617 3.960 0.000 0.000 0.221 124 G C 1.619 176.513 174.900 -0.009 0.000 1.131 124 G CA 1.190 46.278 45.100 -0.020 0.000 0.756 124 G HN 0.529 nan 8.290 nan 0.000 0.572 125 S N 0.362 116.062 115.700 -0.000 0.000 2.399 125 S HA -0.093 4.377 4.470 0.000 0.000 0.231 125 S C 2.420 177.015 174.600 -0.008 0.000 1.022 125 S CA 1.778 59.982 58.200 0.006 0.000 0.983 125 S CB -0.405 62.800 63.200 0.008 0.000 0.803 125 S HN 0.262 nan 8.310 nan 0.000 0.480 126 S N 1.639 117.322 115.700 -0.028 0.000 2.348 126 S HA -0.041 4.429 4.470 0.000 0.000 0.221 126 S C 2.010 176.583 174.600 -0.044 0.000 1.033 126 S CA 1.324 59.505 58.200 -0.031 0.000 1.010 126 S CB -0.735 62.450 63.200 -0.025 0.000 0.891 126 S HN 0.459 nan 8.310 nan 0.000 0.442 127 V N 2.394 122.260 119.914 -0.080 0.000 2.324 127 V HA -0.268 3.852 4.120 0.000 0.000 0.250 127 V C 2.658 178.757 176.094 0.007 0.000 1.060 127 V CA 1.763 64.028 62.300 -0.060 0.000 1.042 127 V CB -1.386 30.375 31.823 -0.103 0.000 0.650 127 V HN 0.549 nan 8.190 nan 0.000 0.450 128 A N -0.217 122.616 122.820 0.021 0.000 1.908 128 A HA -0.172 4.148 4.320 0.000 0.000 0.218 128 A C 2.400 179.995 177.584 0.019 0.000 1.181 128 A CA 2.202 54.263 52.037 0.040 0.000 0.627 128 A CB -0.700 18.325 19.000 0.041 0.000 0.818 128 A HN 0.362 nan 8.150 nan 0.000 0.445 129 V N -0.144 119.767 119.914 -0.004 0.000 2.358 129 V HA -0.156 3.964 4.120 0.000 0.000 0.246 129 V C 2.810 178.882 176.094 -0.038 0.000 1.047 129 V CA 1.811 64.099 62.300 -0.021 0.000 1.035 129 V CB -1.474 30.333 31.823 -0.027 0.000 0.658 129 V HN 0.618 nan 8.190 nan 0.000 0.452 130 G N 0.063 108.835 108.800 -0.047 0.000 2.459 130 G HA2 -0.239 3.721 3.960 0.000 0.000 0.217 130 G HA3 -0.239 3.721 3.960 0.000 0.000 0.217 130 G C 1.701 176.592 174.900 -0.016 0.000 1.183 130 G CA 1.338 46.401 45.100 -0.062 0.000 0.776 130 G HN 0.351 nan 8.290 nan 0.000 0.552 131 V N 1.793 121.728 119.914 0.036 0.000 2.252 131 V HA -0.173 3.947 4.120 0.000 0.000 0.249 131 V C 3.203 179.325 176.094 0.048 0.000 1.056 131 V CA 2.288 64.652 62.300 0.107 0.000 1.022 131 V CB -1.278 30.638 31.823 0.155 0.000 0.641 131 V HN 0.477 nan 8.190 nan 0.000 0.445 132 G N -0.389 108.417 108.800 0.010 0.000 2.513 132 G HA2 -0.323 3.637 3.960 0.000 0.000 0.219 132 G HA3 -0.323 3.637 3.960 0.000 0.000 0.219 132 G C 1.653 176.489 174.900 -0.108 0.000 1.160 132 G CA 1.299 46.374 45.100 -0.043 0.000 0.767 132 G HN 0.509 nan 8.290 nan 0.000 0.571 133 K N -0.485 119.860 120.400 -0.092 0.000 2.057 133 K HA 0.089 4.409 4.320 0.000 0.000 0.206 133 K C 2.710 179.225 176.600 -0.143 0.000 1.050 133 K CA 1.108 57.330 56.287 -0.108 0.000 0.935 133 K CB -0.229 32.214 32.500 -0.095 0.000 0.715 133 K HN 0.294 nan 8.250 nan 0.000 0.439 134 M N 1.013 120.534 119.600 -0.133 0.000 2.108 134 M HA -0.211 4.269 4.480 0.000 0.000 0.261 134 M C 2.359 178.384 176.300 -0.458 0.000 1.066 134 M CA 1.520 56.726 55.300 -0.156 0.000 1.107 134 M CB -0.206 32.403 32.600 0.014 0.000 1.356 134 M HN 0.057 nan 8.290 nan 0.000 0.406 135 K N 0.673 120.627 120.400 -0.743 0.000 2.032 135 K HA -0.216 4.104 4.320 0.000 0.000 0.209 135 K C 1.654 177.906 176.600 -0.580 0.000 1.048 135 K CA 1.743 57.303 56.287 -1.212 0.000 0.927 135 K CB -0.112 31.948 32.500 -0.732 0.000 0.712 135 K HN 0.425 nan 8.250 nan 0.000 0.441 136 E N -0.386 119.620 120.200 -0.323 0.000 2.072 136 E HA -0.151 4.199 4.350 0.000 0.000 0.191 136 E C 1.925 178.433 176.600 -0.154 0.000 0.985 136 E CA 0.961 57.248 56.400 -0.189 0.000 0.801 136 E CB -0.059 29.563 29.700 -0.130 0.000 0.750 136 E HN 0.421 nan 8.360 nan 0.000 0.452 137 A N 1.323 124.050 122.820 -0.155 0.000 1.898 137 A HA -0.096 4.224 4.320 0.000 0.000 0.216 137 A C 2.345 179.877 177.584 -0.087 0.000 1.181 137 A CA 1.606 53.583 52.037 -0.100 0.000 0.620 137 A CB -0.568 18.384 19.000 -0.080 0.000 0.819 137 A HN 0.303 nan 8.150 nan 0.000 0.442 138 A N -0.113 122.626 122.820 -0.135 0.000 1.858 138 A HA -0.073 4.247 4.320 0.000 0.000 0.216 138 A C 2.189 179.754 177.584 -0.031 0.000 1.190 138 A CA 1.548 53.553 52.037 -0.053 0.000 0.617 138 A CB -0.707 18.272 19.000 -0.034 0.000 0.827 138 A HN 0.461 nan 8.150 nan 0.000 0.443 139 L N -0.793 120.377 121.223 -0.087 0.000 2.046 139 L HA -0.223 4.117 4.340 0.000 0.000 0.208 139 L C 3.115 179.972 176.870 -0.022 0.000 1.077 139 L CA 1.073 55.891 54.840 -0.037 0.000 0.747 139 L CB -0.567 41.454 42.059 -0.062 0.000 0.896 139 L HN 0.471 nan 8.230 nan 0.000 0.432 140 A N 0.055 122.852 122.820 -0.038 0.000 1.940 140 A HA -0.204 4.116 4.320 0.000 0.000 0.219 140 A C 2.187 179.765 177.584 -0.010 0.000 1.176 140 A CA 1.647 53.669 52.037 -0.025 0.000 0.631 140 A CB -0.600 18.381 19.000 -0.032 0.000 0.814 140 A HN 0.393 nan 8.150 nan 0.000 0.446 141 I N -0.424 120.143 120.570 -0.005 0.000 2.500 141 I HA -0.148 4.022 4.170 0.000 0.000 0.252 141 I C 2.483 178.613 176.117 0.021 0.000 1.142 141 I CA 1.153 62.459 61.300 0.009 0.000 1.451 141 I CB 0.036 38.044 38.000 0.014 0.000 1.093 141 I HN 0.333 nan 8.210 nan 0.000 0.430 142 V N -0.051 119.881 119.914 0.030 0.000 2.453 142 V HA -0.127 3.993 4.120 0.000 0.000 0.247 142 V C 1.769 177.879 176.094 0.027 0.000 1.048 142 V CA 1.783 64.106 62.300 0.039 0.000 1.049 142 V CB -0.638 31.221 31.823 0.060 0.000 0.672 142 V HN 0.397 nan 8.190 nan 0.000 0.457 143 N N 1.127 119.838 118.700 0.017 0.000 2.521 143 N HA -0.021 4.719 4.740 0.000 0.000 0.188 143 N C 0.348 175.863 175.510 0.008 0.000 1.146 143 N CA 0.823 53.880 53.050 0.011 0.000 0.893 143 N CB -0.548 37.942 38.487 0.005 0.000 0.975 143 N HN 0.720 nan 8.380 nan 0.000 0.451 144 D N 1.401 121.807 120.400 0.009 0.000 2.382 144 D HA 0.062 4.702 4.640 0.000 0.000 0.259 144 D C -1.521 174.784 176.300 0.008 0.000 1.224 144 D CA -1.578 52.426 54.000 0.007 0.000 0.894 144 D CB 1.223 42.027 40.800 0.007 0.000 1.127 144 D HN 0.030 nan 8.370 nan 0.000 0.487 145 P HA 0.076 nan 4.420 nan 0.000 0.223 145 P C -0.177 177.128 177.300 0.007 0.000 1.151 145 P CA 0.188 63.292 63.100 0.007 0.000 0.787 145 P CB 0.008 31.711 31.700 0.005 0.000 0.788 146 A N 0.596 123.420 122.820 0.007 0.000 2.587 146 A HA 0.347 4.667 4.320 0.000 0.000 0.235 146 A C 1.558 179.147 177.584 0.009 0.000 1.044 146 A CA 0.726 52.767 52.037 0.007 0.000 0.754 146 A CB -1.290 17.714 19.000 0.006 0.000 0.968 146 A HN 0.395 nan 8.150 nan 0.000 0.509 147 G N 0.804 109.609 108.800 0.009 0.000 2.283 147 G HA2 -0.210 3.750 3.960 0.000 0.000 0.280 147 G HA3 -0.210 3.750 3.960 0.000 0.000 0.280 147 G C -0.032 174.875 174.900 0.012 0.000 1.029 147 G CA 0.859 45.965 45.100 0.010 0.000 0.840 147 G HN 1.305 nan 8.290 nan 0.000 0.505 148 I N -1.010 119.567 120.570 0.012 0.000 3.006 148 I HA 0.407 4.577 4.170 0.000 0.000 0.306 148 I C 0.297 176.421 176.117 0.012 0.000 1.250 148 I CA -0.910 60.398 61.300 0.013 0.000 0.996 148 I CB 1.822 39.832 38.000 0.016 0.000 1.261 148 I HN 0.000 nan 8.210 nan 0.000 0.442 149 T N 5.976 120.537 114.554 0.012 0.000 2.829 149 T HA 0.181 4.531 4.350 0.000 0.000 0.293 149 T C -2.336 172.370 174.700 0.010 0.000 0.970 149 T CA -0.404 61.702 62.100 0.010 0.000 1.168 149 T CB -0.128 68.746 68.868 0.011 0.000 0.911 149 T HN 0.274 nan 8.240 nan 0.000 0.535 150 P HA 0.473 nan 4.420 nan 0.000 0.268 150 P C 0.175 177.479 177.300 0.007 0.000 1.205 150 P CA -0.035 63.069 63.100 0.007 0.000 0.771 150 P CB 0.606 32.310 31.700 0.006 0.000 0.858 151 G N 0.652 109.457 108.800 0.007 0.000 2.506 151 G HA2 0.355 4.315 3.960 0.000 0.000 0.292 151 G HA3 0.355 4.315 3.960 0.000 0.000 0.292 151 G C -1.999 172.905 174.900 0.006 0.000 1.425 151 G CA -0.648 44.456 45.100 0.007 0.000 0.788 151 G HN 0.495 nan 8.290 nan 0.000 0.490 152 D N -1.107 119.297 120.400 0.005 0.000 2.295 152 D HA 0.462 5.102 4.640 0.000 0.000 0.248 152 D C 0.611 176.915 176.300 0.006 0.000 1.154 152 D CA -0.261 53.742 54.000 0.005 0.000 0.857 152 D CB 0.784 41.585 40.800 0.002 0.000 1.117 152 D HN 0.323 nan 8.370 nan 0.000 0.468 153 C N 2.984 122.289 119.300 0.008 0.000 2.994 153 C HA 0.129 4.589 4.460 0.000 0.000 0.284 153 C C 2.187 177.183 174.990 0.010 0.000 1.404 153 C CA 0.086 59.111 59.018 0.012 0.000 1.775 153 C CB -1.553 26.198 27.740 0.018 0.000 2.458 153 C HN 0.802 nan 8.230 nan 0.000 0.593 154 S N 1.837 117.540 115.700 0.004 0.000 2.368 154 S HA -0.103 4.367 4.470 0.000 0.000 0.224 154 S C 2.029 176.628 174.600 -0.003 0.000 1.029 154 S CA 1.470 59.670 58.200 0.001 0.000 0.988 154 S CB -0.325 62.874 63.200 -0.002 0.000 0.838 154 S HN 0.586 nan 8.310 nan 0.000 0.462 155 A N 1.758 124.575 122.820 -0.005 0.000 1.902 155 A HA 0.082 4.402 4.320 0.000 0.000 0.217 155 A C 2.262 179.839 177.584 -0.011 0.000 1.181 155 A CA 1.587 53.617 52.037 -0.011 0.000 0.623 155 A CB -0.968 18.024 19.000 -0.012 0.000 0.818 155 A HN 0.537 nan 8.150 nan 0.000 0.443 156 L N -0.165 121.059 121.223 0.002 0.000 2.017 156 L HA -0.081 4.259 4.340 0.000 0.000 0.208 156 L C 2.745 179.630 176.870 0.025 0.000 1.073 156 L CA 2.224 57.074 54.840 0.017 0.000 0.745 156 L CB -0.827 41.249 42.059 0.029 0.000 0.894 156 L HN 0.353 nan 8.230 nan 0.000 0.432 157 A N -1.819 121.015 122.820 0.025 0.000 1.978 157 A HA -0.257 4.063 4.320 0.000 0.000 0.220 157 A C 2.525 180.119 177.584 0.016 0.000 1.170 157 A CA 2.057 54.113 52.037 0.032 0.000 0.636 157 A CB -1.058 17.954 19.000 0.021 0.000 0.810 157 A HN 0.539 nan 8.150 nan 0.000 0.448 158 S N -0.977 114.717 115.700 -0.009 0.000 2.345 158 S HA -0.196 4.274 4.470 0.000 0.000 0.220 158 S C 2.027 176.580 174.600 -0.079 0.000 1.031 158 S CA 1.527 59.707 58.200 -0.033 0.000 0.996 158 S CB -0.358 62.820 63.200 -0.036 0.000 0.882 158 S HN 0.679 nan 8.310 nan 0.000 0.445 159 E N 0.315 120.452 120.200 -0.106 0.000 2.065 159 E HA -0.202 4.148 4.350 0.000 0.000 0.201 159 E C 1.992 178.397 176.600 -0.326 0.000 1.016 159 E CA 1.858 58.111 56.400 -0.246 0.000 0.818 159 E CB -0.317 29.302 29.700 -0.136 0.000 0.749 159 E HN 0.623 nan 8.360 nan 0.000 0.453 160 I N 0.764 121.316 120.570 -0.030 0.000 2.163 160 I HA -0.295 3.875 4.170 0.000 0.000 0.243 160 I C 2.656 178.924 176.117 0.251 0.000 1.085 160 I CA 1.071 62.477 61.300 0.178 0.000 1.347 160 I CB -0.482 37.669 38.000 0.251 0.000 1.044 160 I HN 0.179 nan 8.210 nan 0.000 0.408 161 A N 1.178 124.086 122.820 0.147 0.000 1.917 161 A HA -0.192 4.128 4.320 0.000 0.000 0.219 161 A C 2.453 180.104 177.584 0.112 0.000 1.182 161 A CA 2.164 54.288 52.037 0.145 0.000 0.633 161 A CB -1.561 17.465 19.000 0.044 0.000 0.819 161 A HN 0.491 nan 8.150 nan 0.000 0.448 162 G N -1.339 107.430 108.800 -0.051 0.000 2.459 162 G HA2 -0.235 3.725 3.960 0.000 0.000 0.217 162 G HA3 -0.235 3.725 3.960 0.000 0.000 0.217 162 G C 1.423 176.297 174.900 -0.043 0.000 1.183 162 G CA 1.302 46.333 45.100 -0.115 0.000 0.776 162 G HN 0.534 nan 8.290 nan 0.000 0.552 163 Y N 0.164 120.497 120.300 0.055 0.000 2.097 163 Y HA -0.022 4.528 4.550 0.000 0.000 0.282 163 Y C 2.591 178.473 175.900 -0.030 0.000 1.152 163 Y CA 0.724 58.809 58.100 -0.025 0.000 1.136 163 Y CB -1.156 37.240 38.460 -0.108 0.000 0.975 163 Y HN 0.168 nan 8.280 nan 0.000 0.498 164 F N 0.464 120.515 119.950 0.167 0.000 2.126 164 F HA -0.235 4.292 4.527 0.000 0.000 0.299 164 F C 2.177 178.019 175.800 0.071 0.000 1.096 164 F CA 1.796 59.856 58.000 0.100 0.000 1.255 164 F CB -0.592 38.448 39.000 0.066 0.000 0.997 164 F HN 0.047 nan 8.300 nan 0.000 0.479 165 D N -0.137 120.411 120.400 0.246 0.000 2.144 165 D HA -0.151 4.489 4.640 0.000 0.000 0.199 165 D C 2.400 178.765 176.300 0.109 0.000 0.984 165 D CA 1.106 55.191 54.000 0.141 0.000 0.834 165 D CB -0.343 40.509 40.800 0.088 0.000 0.955 165 D HN 0.344 nan 8.370 nan 0.000 0.465 166 R N 1.015 121.579 120.500 0.106 0.000 2.115 166 R HA 0.086 4.426 4.340 0.000 0.000 0.226 166 R C 2.105 178.453 176.300 0.081 0.000 1.100 166 R CA 1.197 57.348 56.100 0.085 0.000 0.980 166 R CB -0.525 29.825 30.300 0.083 0.000 0.875 166 R HN 0.029 nan 8.270 nan 0.000 0.445 167 A N 2.201 125.077 122.820 0.093 0.000 1.859 167 A HA -0.115 4.205 4.320 0.000 0.000 0.217 167 A C 2.639 180.281 177.584 0.098 0.000 1.198 167 A CA 2.176 54.262 52.037 0.082 0.000 0.629 167 A CB -0.997 18.051 19.000 0.081 0.000 0.830 167 A HN 0.540 nan 8.150 nan 0.000 0.446 168 A N -0.335 122.555 122.820 0.118 0.000 1.917 168 A HA 0.061 4.381 4.320 0.000 0.000 0.219 168 A C 2.504 180.136 177.584 0.079 0.000 1.182 168 A CA 2.544 54.641 52.037 0.100 0.000 0.633 168 A CB -1.083 17.974 19.000 0.094 0.000 0.819 168 A HN 1.230 nan 8.150 nan 0.000 0.448 169 A N -0.647 122.216 122.820 0.071 0.000 2.015 169 A HA 0.264 4.584 4.320 0.000 0.000 0.219 169 A C 2.374 179.991 177.584 0.055 0.000 1.163 169 A CA 1.758 53.829 52.037 0.056 0.000 0.646 169 A CB -0.727 18.302 19.000 0.048 0.000 0.806 169 A HN 1.050 nan 8.150 nan 0.000 0.448 170 A N -0.259 122.595 122.820 0.057 0.000 2.016 170 A HA 0.321 4.641 4.320 0.000 0.000 0.217 170 A C 1.528 179.144 177.584 0.053 0.000 1.162 170 A CA 1.186 53.248 52.037 0.042 0.000 0.662 170 A CB -0.948 18.066 19.000 0.024 0.000 0.812 170 A HN 0.952 nan 8.150 nan 0.000 0.450 171 V N -3.539 116.432 119.914 0.094 0.000 3.871 171 V HA 0.766 4.886 4.120 0.000 0.000 0.274 171 V C 0.621 176.794 176.094 0.133 0.000 1.104 171 V CA 0.043 62.444 62.300 0.170 0.000 0.852 171 V CB 0.334 32.330 31.823 0.288 0.000 1.222 171 V HN 1.629 nan 8.190 nan 0.000 0.420 172 S N 0.000 115.780 115.700 0.134 0.000 2.498 172 S HA 0.000 4.470 4.470 0.000 0.000 0.327 172 S CA 0.000 58.245 58.200 0.075 0.000 1.107 172 S CB 0.000 63.237 63.200 0.062 0.000 0.593 172 S HN 0.000 nan 8.310 nan 0.000 0.517