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 3c91_1_Q DATA FIRST_RESID 7 DATA SEQUENCE AYDRAITVFS PDGRLFQVEY AREAVKKGST ALGMKFANGV LLISDKKVRS DATA SEQUENCE RLIEQNSIEK IQLIDDYVAA VTSGLVADAR VLVDFARISA QQEKVTYGSL DATA SEQUENCE VNIENLVKRV ADQMQQYTQY GGVRPYGVSL IFAGIDQIGP RLFDCDPAGT DATA SEQUENCE INEYKATAIG SGKDAVVSFL EREYKENLPE KEAVTLGIKA LKSSLEEGEE DATA SEQUENCE LKAPEIASIT VGNKYRIYDQ EEVKKFL 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 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.321 177.584 -0.438 0.000 1.274 7 A CA 0.000 51.823 52.037 -0.356 0.000 0.836 7 A CB 0.000 18.676 19.000 -0.539 0.000 0.831 8 Y N 1.997 122.260 120.300 -0.062 0.000 2.457 8 Y HA 0.203 4.752 4.550 -0.001 0.000 0.263 8 Y C 1.044 176.854 175.900 -0.150 0.000 1.164 8 Y CA 0.492 58.567 58.100 -0.041 0.000 1.274 8 Y CB 0.615 39.106 38.460 0.051 0.000 1.097 8 Y HN 0.488 nan 8.280 nan 0.000 0.523 9 D N -1.224 119.111 120.400 -0.109 0.000 2.593 9 D HA 0.091 4.730 4.640 -0.001 0.000 0.241 9 D C 1.167 177.578 176.300 0.185 0.000 1.257 9 D CA 0.000 53.952 54.000 -0.081 0.000 0.828 9 D CB 0.177 40.884 40.800 -0.155 0.000 1.049 9 D HN 0.071 nan 8.370 nan 0.000 0.490 10 R N 0.180 120.741 120.500 0.102 0.000 2.307 10 R HA 0.458 4.797 4.340 -0.001 0.000 0.200 10 R C 0.400 176.764 176.300 0.107 0.000 0.893 10 R CA 0.111 56.267 56.100 0.093 0.000 1.042 10 R CB 0.790 31.101 30.300 0.019 0.000 1.059 10 R HN 0.205 nan 8.270 nan 0.000 0.530 11 A N 0.648 123.530 122.820 0.104 0.000 2.393 11 A HA 0.479 4.799 4.320 -0.001 0.000 0.306 11 A C 0.255 177.882 177.584 0.070 0.000 1.050 11 A CA -0.582 51.501 52.037 0.076 0.000 0.724 11 A CB 1.323 20.352 19.000 0.048 0.000 1.248 11 A HN 0.056 nan 8.150 nan 0.000 0.424 12 I N 1.546 122.142 120.570 0.044 0.000 3.251 12 I HA 0.006 4.175 4.170 -0.001 0.000 0.277 12 I C 1.174 177.266 176.117 -0.041 0.000 1.268 12 I CA 1.125 62.426 61.300 0.002 0.000 1.449 12 I CB -0.041 37.960 38.000 0.001 0.000 1.083 12 I HN 0.627 nan 8.210 nan 0.000 0.464 13 T N -0.323 114.213 114.554 -0.030 0.000 2.814 13 T HA 0.551 4.901 4.350 -0.001 0.000 0.297 13 T C -0.235 174.407 174.700 -0.096 0.000 0.956 13 T CA -0.453 61.606 62.100 -0.069 0.000 1.123 13 T CB 0.713 69.560 68.868 -0.035 0.000 0.902 13 T HN 0.068 nan 8.240 nan 0.000 0.528 14 V N 2.485 122.273 119.914 -0.210 0.000 2.913 14 V HA -0.073 4.046 4.120 -0.001 0.000 0.425 14 V C -0.629 175.369 176.094 -0.161 0.000 0.684 14 V CA -1.088 61.136 62.300 -0.127 0.000 1.956 14 V CB -1.346 30.477 31.823 -0.000 0.000 2.454 14 V HN 0.896 nan 8.190 nan 0.000 0.485 15 F N 3.700 123.646 119.950 -0.006 0.000 2.399 15 F HA 0.607 5.133 4.527 -0.001 0.000 0.342 15 F C 1.224 177.020 175.800 -0.006 0.000 1.106 15 F CA 0.629 58.605 58.000 -0.041 0.000 1.196 15 F CB 1.636 40.603 39.000 -0.055 0.000 1.163 15 F HN 0.715 nan 8.300 nan 0.000 0.547 16 S N 2.642 118.436 115.700 0.157 0.000 2.632 16 S HA 0.311 4.780 4.470 -0.001 0.000 0.267 16 S C -2.031 172.550 174.600 -0.032 0.000 1.276 16 S CA -1.212 57.047 58.200 0.099 0.000 0.998 16 S CB 1.123 64.404 63.200 0.136 0.000 0.953 16 S HN 0.386 nan 8.310 nan 0.000 0.547 17 P HA -0.081 nan 4.420 nan 0.000 0.224 17 P C 0.393 177.617 177.300 -0.126 0.000 1.142 17 P CA 1.101 64.086 63.100 -0.192 0.000 0.778 17 P CB -0.112 31.375 31.700 -0.356 0.000 0.764 18 D N -2.989 117.347 120.400 -0.107 0.000 2.395 18 D HA 0.151 4.791 4.640 -0.001 0.000 0.213 18 D C 0.905 177.146 176.300 -0.099 0.000 1.110 18 D CA 0.102 54.050 54.000 -0.087 0.000 0.835 18 D CB -0.224 40.542 40.800 -0.058 0.000 0.965 18 D HN 0.101 nan 8.370 nan 0.000 0.505 19 G N 1.370 110.113 108.800 -0.095 0.000 2.248 19 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.252 19 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.252 19 G C -0.217 174.672 174.900 -0.019 0.000 1.085 19 G CA -0.406 44.637 45.100 -0.095 0.000 0.845 19 G HN 0.384 nan 8.290 nan 0.000 0.494 20 R N -1.058 119.402 120.500 -0.068 0.000 2.673 20 R HA 0.553 4.893 4.340 -0.001 0.000 0.281 20 R C -0.472 175.632 176.300 -0.328 0.000 0.991 20 R CA -1.156 54.798 56.100 -0.242 0.000 0.896 20 R CB 1.245 31.219 30.300 -0.545 0.000 1.201 20 R HN 0.045 nan 8.270 nan 0.000 0.457 21 L N 4.078 125.126 121.223 -0.291 0.000 2.358 21 L HA 0.196 4.535 4.340 -0.001 0.000 0.274 21 L C 0.734 177.400 176.870 -0.341 0.000 1.136 21 L CA 0.102 54.763 54.840 -0.298 0.000 0.970 21 L CB -0.716 41.191 42.059 -0.253 0.000 1.314 21 L HN 0.721 nan 8.230 nan 0.000 0.427 22 F N 0.405 120.210 119.950 -0.242 0.000 2.154 22 F HA -0.256 4.270 4.527 -0.001 0.000 0.301 22 F C 2.347 177.688 175.800 -0.764 0.000 1.087 22 F CA 1.360 59.058 58.000 -0.505 0.000 1.274 22 F CB -0.150 38.563 39.000 -0.478 0.000 1.009 22 F HN 0.512 nan 8.300 nan 0.000 0.485 23 Q N -0.088 119.546 119.800 -0.277 0.000 2.096 23 Q HA -0.174 4.166 4.340 -0.001 0.000 0.204 23 Q C 2.684 178.622 176.000 -0.103 0.000 0.982 23 Q CA 1.410 57.112 55.803 -0.169 0.000 0.850 23 Q CB -1.107 27.602 28.738 -0.049 0.000 0.901 23 Q HN 0.361 nan 8.270 nan 0.000 0.422 24 V N 1.298 121.146 119.914 -0.110 0.000 2.515 24 V HA -0.207 3.912 4.120 -0.001 0.000 0.250 24 V C 1.990 178.068 176.094 -0.027 0.000 1.058 24 V CA 1.541 63.811 62.300 -0.050 0.000 1.064 24 V CB -0.117 31.671 31.823 -0.058 0.000 0.675 24 V HN 0.315 nan 8.190 nan 0.000 0.461 25 E N -0.346 119.805 120.200 -0.082 0.000 2.015 25 E HA -0.195 4.155 4.350 -0.001 0.000 0.191 25 E C 2.174 178.875 176.600 0.168 0.000 0.991 25 E CA 1.541 57.947 56.400 0.011 0.000 0.802 25 E CB -0.667 29.033 29.700 -0.001 0.000 0.759 25 E HN 0.671 nan 8.360 nan 0.000 0.447 26 Y N 1.125 121.488 120.300 0.105 0.000 2.193 26 Y HA -0.176 4.374 4.550 -0.001 0.000 0.285 26 Y C 2.471 178.401 175.900 0.050 0.000 1.166 26 Y CA 0.490 58.636 58.100 0.078 0.000 1.181 26 Y CB -1.445 37.060 38.460 0.074 0.000 0.976 26 Y HN 0.036 nan 8.280 nan 0.000 0.520 27 A N 0.496 123.435 122.820 0.198 0.000 1.858 27 A HA -0.229 4.090 4.320 -0.001 0.000 0.216 27 A C 2.394 180.036 177.584 0.096 0.000 1.190 27 A CA 1.787 53.894 52.037 0.116 0.000 0.617 27 A CB -0.714 18.332 19.000 0.076 0.000 0.827 27 A HN 0.416 nan 8.150 nan 0.000 0.443 28 R N -0.402 120.151 120.500 0.090 0.000 2.133 28 R HA -0.176 4.164 4.340 -0.001 0.000 0.247 28 R C 2.060 178.404 176.300 0.074 0.000 1.151 28 R CA 1.482 57.625 56.100 0.072 0.000 0.971 28 R CB -0.415 29.925 30.300 0.066 0.000 0.866 28 R HN 0.504 nan 8.270 nan 0.000 0.447 29 E N 0.735 120.996 120.200 0.101 0.000 2.049 29 E HA -0.217 4.133 4.350 -0.001 0.000 0.198 29 E C 2.115 178.747 176.600 0.054 0.000 1.007 29 E CA 1.633 58.082 56.400 0.081 0.000 0.809 29 E CB -0.467 29.290 29.700 0.096 0.000 0.749 29 E HN 0.395 nan 8.360 nan 0.000 0.450 30 A N 1.227 124.081 122.820 0.057 0.000 1.948 30 A HA -0.208 4.111 4.320 -0.001 0.000 0.220 30 A C 2.559 180.160 177.584 0.027 0.000 1.177 30 A CA 2.431 54.491 52.037 0.037 0.000 0.636 30 A CB -0.942 18.083 19.000 0.041 0.000 0.815 30 A HN 0.248 nan 8.150 nan 0.000 0.449 31 V N -2.033 117.899 119.914 0.030 0.000 2.548 31 V HA -0.176 3.943 4.120 -0.001 0.000 0.249 31 V C 1.966 178.065 176.094 0.009 0.000 1.055 31 V CA 2.321 64.630 62.300 0.016 0.000 1.065 31 V CB -0.776 31.056 31.823 0.015 0.000 0.681 31 V HN 0.516 nan 8.190 nan 0.000 0.462 32 K N 0.789 121.199 120.400 0.017 0.000 2.103 32 K HA -0.105 4.214 4.320 -0.001 0.000 0.207 32 K C 1.983 178.587 176.600 0.007 0.000 1.048 32 K CA 1.905 58.200 56.287 0.013 0.000 0.930 32 K CB -0.268 32.245 32.500 0.022 0.000 0.716 32 K HN 0.507 nan 8.250 nan 0.000 0.444 33 K N 0.756 121.161 120.400 0.009 0.000 2.569 33 K HA 0.028 4.347 4.320 -0.001 0.000 0.193 33 K C 0.756 177.356 176.600 -0.001 0.000 1.026 33 K CA -0.023 56.267 56.287 0.004 0.000 1.093 33 K CB 0.359 32.863 32.500 0.006 0.000 0.849 33 K HN 0.129 nan 8.250 nan 0.000 0.509 34 G N 0.258 109.055 108.800 -0.004 0.000 2.502 34 G HA2 0.146 4.106 3.960 -0.001 0.000 0.305 34 G HA3 0.146 4.106 3.960 -0.001 0.000 0.305 34 G C -0.447 174.443 174.900 -0.017 0.000 1.190 34 G CA -0.587 44.507 45.100 -0.011 0.000 0.933 34 G HN 0.084 nan 8.290 nan 0.000 0.503 35 S N -1.544 114.142 115.700 -0.023 0.000 2.587 35 S HA 0.325 4.794 4.470 -0.001 0.000 0.260 35 S C 0.634 175.212 174.600 -0.035 0.000 1.353 35 S CA 0.217 58.401 58.200 -0.027 0.000 0.995 35 S CB 0.654 63.836 63.200 -0.030 0.000 0.912 35 S HN 0.741 nan 8.310 nan 0.000 0.568 36 T N 1.116 115.647 114.554 -0.038 0.000 2.829 36 T HA 0.696 5.046 4.350 -0.001 0.000 0.282 36 T C -0.641 174.022 174.700 -0.062 0.000 0.990 36 T CA -0.011 62.060 62.100 -0.047 0.000 1.028 36 T CB 0.605 69.449 68.868 -0.039 0.000 0.951 36 T HN 0.950 nan 8.240 nan 0.000 0.460 37 A N 3.894 126.668 122.820 -0.077 0.000 2.606 37 A HA 0.872 5.192 4.320 -0.001 0.000 0.293 37 A C -1.329 176.190 177.584 -0.108 0.000 1.082 37 A CA -0.892 51.090 52.037 -0.092 0.000 0.685 37 A CB 1.196 20.139 19.000 -0.095 0.000 1.284 37 A HN 1.284 nan 8.150 nan 0.000 0.408 38 L N -1.910 119.244 121.223 -0.115 0.000 2.801 38 L HA 1.071 5.410 4.340 -0.001 0.000 0.264 38 L C -0.176 176.625 176.870 -0.115 0.000 1.086 38 L CA -0.348 54.414 54.840 -0.129 0.000 0.920 38 L CB 1.551 43.532 42.059 -0.129 0.000 1.529 38 L HN 1.642 nan 8.230 nan 0.000 0.399 39 G N 0.254 108.984 108.800 -0.116 0.000 2.623 39 G HA2 0.723 4.682 3.960 -0.001 0.000 0.290 39 G HA3 0.723 4.682 3.960 -0.001 0.000 0.290 39 G C -1.558 173.297 174.900 -0.074 0.000 1.437 39 G CA -0.354 44.701 45.100 -0.075 0.000 0.798 39 G HN 1.181 nan 8.290 nan 0.000 0.488 40 M N -0.915 118.677 119.600 -0.014 0.000 2.605 40 M HA 0.579 5.058 4.480 -0.001 0.000 0.281 40 M C -1.620 174.715 176.300 0.058 0.000 1.166 40 M CA -1.075 54.224 55.300 -0.002 0.000 0.875 40 M CB 1.889 34.529 32.600 0.066 0.000 1.732 40 M HN 0.333 nan 8.290 nan 0.000 0.504 41 K N 1.431 121.850 120.400 0.032 0.000 2.154 41 K HA 0.731 5.051 4.320 -0.001 0.000 0.264 41 K C -1.054 175.637 176.600 0.151 0.000 1.008 41 K CA -0.231 56.033 56.287 -0.038 0.000 0.937 41 K CB 0.861 33.341 32.500 -0.035 0.000 1.002 41 K HN 0.571 nan 8.250 nan 0.000 0.469 42 F N -1.175 118.823 119.950 0.081 0.000 3.205 42 F HA 0.606 5.133 4.527 -0.001 0.000 0.336 42 F C 1.162 176.982 175.800 0.034 0.000 1.255 42 F CA -0.725 57.315 58.000 0.066 0.000 0.998 42 F CB -0.338 38.688 39.000 0.042 0.000 1.531 42 F HN 0.493 nan 8.300 nan 0.000 0.521 43 A N 0.784 123.995 122.820 0.651 0.000 1.906 43 A HA -0.345 3.975 4.320 -0.001 0.000 0.236 43 A C 1.163 178.850 177.584 0.172 0.000 1.793 43 A CA 2.857 55.118 52.037 0.372 0.000 0.813 43 A CB -1.633 17.601 19.000 0.390 0.000 0.841 43 A HN 0.847 nan 8.150 nan 0.000 0.491 44 N N -1.822 116.965 118.700 0.146 0.000 2.547 44 N HA 0.428 5.167 4.740 -0.001 0.000 0.285 44 N C -0.149 175.263 175.510 -0.162 0.000 1.600 44 N CA 0.284 53.328 53.050 -0.010 0.000 0.872 44 N CB 0.693 39.209 38.487 0.049 0.000 1.412 44 N HN 0.754 nan 8.380 nan 0.000 0.489 45 G N -0.273 108.191 108.800 -0.560 0.000 2.578 45 G HA2 0.515 4.474 3.960 -0.001 0.000 0.302 45 G HA3 0.515 4.474 3.960 -0.001 0.000 0.302 45 G C -2.046 172.163 174.900 -1.152 0.000 1.243 45 G CA -0.267 44.395 45.100 -0.730 0.000 0.843 45 G HN 0.083 nan 8.290 nan 0.000 0.486 46 V N -0.184 119.195 119.914 -0.893 0.000 3.120 46 V HA 0.831 4.950 4.120 -0.001 0.000 0.303 46 V C -1.520 174.505 176.094 -0.114 0.000 1.238 46 V CA -0.430 61.555 62.300 -0.524 0.000 1.008 46 V CB 1.876 33.560 31.823 -0.232 0.000 1.064 46 V HN 1.483 nan 8.190 nan 0.000 0.434 47 L N 3.654 124.949 121.223 0.120 0.000 2.350 47 L HA 0.938 5.278 4.340 -0.001 0.000 0.260 47 L C -1.938 174.980 176.870 0.079 0.000 1.015 47 L CA -0.797 54.153 54.840 0.184 0.000 0.821 47 L CB 2.137 44.331 42.059 0.225 0.000 1.370 47 L HN 0.626 nan 8.230 nan 0.000 0.416 48 L N 2.761 124.011 121.223 0.045 0.000 2.381 48 L HA 0.777 5.116 4.340 -0.001 0.000 0.268 48 L C -1.127 175.688 176.870 -0.093 0.000 0.997 48 L CA -0.354 54.475 54.840 -0.020 0.000 0.818 48 L CB 1.969 44.026 42.059 -0.004 0.000 1.310 48 L HN 0.745 nan 8.230 nan 0.000 0.416 49 I N 1.984 122.488 120.570 -0.109 0.000 2.649 49 I HA 0.654 4.823 4.170 -0.001 0.000 0.289 49 I C -1.401 174.650 176.117 -0.109 0.000 1.222 49 I CA 0.161 61.381 61.300 -0.133 0.000 1.046 49 I CB 2.108 40.009 38.000 -0.165 0.000 1.272 49 I HN 0.478 nan 8.210 nan 0.000 0.425 50 S N 4.724 120.365 115.700 -0.098 0.000 2.542 50 S HA 0.564 5.033 4.470 -0.001 0.000 0.293 50 S C -1.324 173.236 174.600 -0.067 0.000 1.089 50 S CA -0.600 57.551 58.200 -0.081 0.000 0.961 50 S CB 1.215 64.369 63.200 -0.076 0.000 1.062 50 S HN 0.696 nan 8.310 nan 0.000 0.483 51 D N 2.556 122.922 120.400 -0.056 0.000 2.336 51 D HA 0.159 4.798 4.640 -0.001 0.000 0.249 51 D C -0.373 175.907 176.300 -0.033 0.000 1.213 51 D CA 0.060 54.034 54.000 -0.042 0.000 0.870 51 D CB 0.518 41.296 40.800 -0.036 0.000 1.076 51 D HN 0.455 nan 8.370 nan 0.000 0.483 52 K N 4.094 124.477 120.400 -0.027 0.000 2.184 52 K HA 0.133 4.453 4.320 -0.001 0.000 0.259 52 K C -0.277 176.316 176.600 -0.013 0.000 1.119 52 K CA -0.467 55.808 56.287 -0.020 0.000 0.991 52 K CB 0.111 32.601 32.500 -0.017 0.000 1.522 52 K HN 0.239 nan 8.250 nan 0.000 0.405 53 K N 2.686 123.078 120.400 -0.013 0.000 2.284 53 K HA 0.141 4.460 4.320 -0.001 0.000 0.287 53 K C -0.526 176.070 176.600 -0.007 0.000 1.081 53 K CA -0.371 55.910 56.287 -0.009 0.000 0.910 53 K CB 1.645 34.140 32.500 -0.009 0.000 1.088 53 K HN 0.195 nan 8.250 nan 0.000 0.478 54 V N 3.223 123.135 119.914 -0.004 0.000 2.850 54 V HA 0.387 4.507 4.120 -0.001 0.000 0.315 54 V C 0.391 176.484 176.094 -0.001 0.000 1.064 54 V CA -0.315 61.983 62.300 -0.002 0.000 0.979 54 V CB 1.759 33.582 31.823 -0.001 0.000 1.039 54 V HN 0.798 nan 8.190 nan 0.000 0.452 55 R N 2.482 122.982 120.500 -0.001 0.000 1.747 55 R HA 0.428 4.768 4.340 -0.001 0.000 0.136 55 R C 1.024 177.325 176.300 0.001 0.000 2.116 55 R CA 1.006 57.106 56.100 -0.000 0.000 1.739 55 R CB -0.578 29.721 30.300 -0.001 0.000 1.333 55 R HN 0.736 nan 8.270 nan 0.000 0.480 56 S N 0.223 115.923 115.700 0.000 0.000 2.576 56 S HA 0.040 4.509 4.470 -0.001 0.000 0.272 56 S C 0.849 175.450 174.600 0.001 0.000 1.352 56 S CA -0.104 58.096 58.200 0.001 0.000 1.021 56 S CB 0.465 63.665 63.200 0.001 0.000 0.887 56 S HN 0.391 nan 8.310 nan 0.000 0.542 57 R N 1.857 122.358 120.500 0.002 0.000 2.193 57 R HA 0.049 4.388 4.340 -0.001 0.000 0.213 57 R C 1.321 177.623 176.300 0.002 0.000 1.055 57 R CA 0.544 56.646 56.100 0.002 0.000 0.995 57 R CB -0.329 29.973 30.300 0.002 0.000 0.893 57 R HN 0.444 nan 8.270 nan 0.000 0.459 58 L N 0.770 121.994 121.223 0.002 0.000 2.551 58 L HA 0.032 4.371 4.340 -0.001 0.000 0.228 58 L C 0.693 177.564 176.870 0.002 0.000 1.153 58 L CA 0.789 55.630 54.840 0.002 0.000 0.851 58 L CB -0.311 41.749 42.059 0.001 0.000 0.959 58 L HN 0.070 nan 8.230 nan 0.000 0.451 59 I N -0.001 120.569 120.570 0.001 0.000 2.581 59 I HA 0.034 4.204 4.170 -0.001 0.000 0.288 59 I C 1.160 177.278 176.117 0.002 0.000 1.047 59 I CA -0.089 61.211 61.300 0.001 0.000 1.374 59 I CB 0.665 38.665 38.000 0.000 0.000 1.423 59 I HN 0.074 nan 8.210 nan 0.000 0.549 60 E N 5.048 125.249 120.200 0.002 0.000 2.545 60 E HA 0.005 4.355 4.350 -0.001 0.000 0.271 60 E C 0.810 177.411 176.600 0.002 0.000 1.508 60 E CA -0.167 56.234 56.400 0.002 0.000 1.774 60 E CB -0.152 29.550 29.700 0.002 0.000 1.460 60 E HN 0.584 nan 8.360 nan 0.000 0.449 61 Q N -0.126 119.675 119.800 0.003 0.000 2.469 61 Q HA -0.434 3.906 4.340 -0.001 0.000 0.454 61 Q C 1.259 177.260 176.000 0.002 0.000 0.582 61 Q CA 2.040 57.845 55.803 0.003 0.000 0.966 61 Q CB -1.352 27.390 28.738 0.006 0.000 2.473 61 Q HN 0.371 nan 8.270 nan 0.000 1.015 62 N N 0.672 119.375 118.700 0.004 0.000 2.144 62 N HA -0.250 4.490 4.740 -0.001 0.000 0.195 62 N C 1.300 176.809 175.510 -0.001 0.000 1.006 62 N CA 2.433 55.485 53.050 0.003 0.000 0.880 62 N CB -0.453 38.039 38.487 0.007 0.000 1.018 62 N HN 0.539 nan 8.380 nan 0.000 0.443 63 S N 0.663 116.363 115.700 -0.000 0.000 2.423 63 S HA -0.132 4.337 4.470 -0.001 0.000 0.238 63 S C 1.411 176.009 174.600 -0.005 0.000 1.028 63 S CA 0.702 58.901 58.200 -0.002 0.000 1.000 63 S CB -0.303 62.897 63.200 0.000 0.000 0.797 63 S HN 0.525 nan 8.310 nan 0.000 0.487 64 I N 2.670 123.237 120.570 -0.006 0.000 2.571 64 I HA 0.062 4.231 4.170 -0.001 0.000 0.282 64 I C -0.456 175.652 176.117 -0.015 0.000 1.085 64 I CA -0.230 61.065 61.300 -0.009 0.000 1.677 64 I CB -0.206 37.789 38.000 -0.008 0.000 1.460 64 I HN -0.019 nan 8.210 nan 0.000 0.693 65 E N 3.826 124.016 120.200 -0.017 0.000 2.299 65 E HA 0.028 4.378 4.350 -0.001 0.000 0.272 65 E C 0.415 176.994 176.600 -0.034 0.000 1.043 65 E CA 0.160 56.546 56.400 -0.025 0.000 0.895 65 E CB 1.146 30.831 29.700 -0.024 0.000 1.011 65 E HN 0.553 nan 8.360 nan 0.000 0.432 66 K N 2.073 122.447 120.400 -0.043 0.000 2.242 66 K HA 0.219 4.538 4.320 -0.001 0.000 0.200 66 K C 0.778 177.334 176.600 -0.073 0.000 1.050 66 K CA 0.334 56.589 56.287 -0.054 0.000 0.981 66 K CB 0.486 32.955 32.500 -0.053 0.000 0.795 66 K HN 0.386 nan 8.250 nan 0.000 0.477 67 I N 2.623 123.145 120.570 -0.079 0.000 2.312 67 I HA 0.059 4.228 4.170 -0.001 0.000 0.291 67 I C -0.378 175.675 176.117 -0.107 0.000 1.031 67 I CA -0.120 61.117 61.300 -0.106 0.000 1.293 67 I CB 1.020 38.953 38.000 -0.112 0.000 1.403 67 I HN 0.118 nan 8.210 nan 0.000 0.484 68 Q N 5.972 125.705 119.800 -0.111 0.000 2.345 68 Q HA 0.577 4.916 4.340 -0.001 0.000 0.268 68 Q C -0.997 174.936 176.000 -0.112 0.000 1.054 68 Q CA -0.888 54.861 55.803 -0.091 0.000 0.835 68 Q CB 3.153 31.859 28.738 -0.055 0.000 1.339 68 Q HN 0.547 nan 8.270 nan 0.000 0.447 69 L N 2.680 123.844 121.223 -0.098 0.000 2.350 69 L HA 0.276 4.615 4.340 -0.001 0.000 0.275 69 L C 0.731 177.591 176.870 -0.018 0.000 1.099 69 L CA 0.076 54.859 54.840 -0.095 0.000 0.808 69 L CB 0.744 42.756 42.059 -0.079 0.000 1.149 69 L HN 0.704 nan 8.230 nan 0.000 0.442 70 I N 0.566 121.148 120.570 0.020 0.000 3.339 70 I HA 0.123 4.293 4.170 -0.001 0.000 0.285 70 I C -0.130 176.020 176.117 0.054 0.000 1.201 70 I CA 0.348 61.679 61.300 0.053 0.000 1.434 70 I CB 0.474 38.531 38.000 0.096 0.000 1.152 70 I HN 0.692 nan 8.210 nan 0.000 0.443 71 D N -1.280 119.170 120.400 0.083 0.000 2.728 71 D HA -0.003 4.636 4.640 -0.001 0.000 0.249 71 D C -0.249 176.163 176.300 0.187 0.000 1.225 71 D CA -0.472 53.601 54.000 0.121 0.000 0.748 71 D CB 0.709 41.583 40.800 0.123 0.000 1.326 71 D HN -0.170 nan 8.370 nan 0.000 0.426 72 D N 0.340 120.870 120.400 0.217 0.000 2.332 72 D HA -0.185 4.454 4.640 -0.001 0.000 0.209 72 D C 0.452 176.843 176.300 0.151 0.000 0.988 72 D CA 1.477 55.585 54.000 0.180 0.000 0.912 72 D CB -0.001 40.891 40.800 0.154 0.000 0.899 72 D HN 0.432 nan 8.370 nan 0.000 0.477 73 Y N -1.045 119.364 120.300 0.181 0.000 2.500 73 Y HA 0.335 4.885 4.550 -0.001 0.000 0.246 73 Y C 0.272 176.344 175.900 0.288 0.000 1.146 73 Y CA -0.438 57.777 58.100 0.193 0.000 1.230 73 Y CB 1.141 39.651 38.460 0.083 0.000 1.214 73 Y HN -0.268 nan 8.280 nan 0.000 0.526 74 V N 0.311 120.495 119.914 0.451 0.000 2.711 74 V HA 0.904 5.023 4.120 -0.001 0.000 0.304 74 V C -1.371 174.836 176.094 0.188 0.000 1.097 74 V CA -0.609 61.922 62.300 0.384 0.000 0.906 74 V CB 1.188 33.163 31.823 0.253 0.000 1.015 74 V HN 0.078 nan 8.190 nan 0.000 0.427 75 A N 5.056 127.931 122.820 0.092 0.000 2.435 75 A HA 1.111 5.430 4.320 -0.001 0.000 0.296 75 A C -0.351 177.233 177.584 -0.001 0.000 1.147 75 A CA -0.208 51.734 52.037 -0.158 0.000 0.775 75 A CB 2.087 20.677 19.000 -0.683 0.000 1.340 75 A HN 2.376 nan 8.150 nan 0.000 0.427 76 A N -0.630 122.141 122.820 -0.082 0.000 2.572 76 A HA 0.745 5.065 4.320 -0.001 0.000 0.295 76 A C -1.489 175.974 177.584 -0.200 0.000 1.072 76 A CA -0.330 51.599 52.037 -0.180 0.000 0.691 76 A CB 1.366 20.172 19.000 -0.323 0.000 1.291 76 A HN 2.119 nan 8.150 nan 0.000 0.404 77 V N 0.468 120.238 119.914 -0.239 0.000 2.789 77 V HA 0.860 4.979 4.120 -0.001 0.000 0.311 77 V C -0.294 175.676 176.094 -0.206 0.000 1.073 77 V CA 0.256 62.447 62.300 -0.181 0.000 0.921 77 V CB 2.104 33.843 31.823 -0.141 0.000 1.009 77 V HN 1.317 nan 8.190 nan 0.000 0.426 78 T N 3.536 117.999 114.554 -0.152 0.000 2.930 78 T HA 0.720 5.070 4.350 -0.001 0.000 0.290 78 T C -1.112 173.535 174.700 -0.089 0.000 1.052 78 T CA -0.180 61.840 62.100 -0.133 0.000 1.017 78 T CB 1.715 70.514 68.868 -0.115 0.000 1.137 78 T HN 1.035 nan 8.240 nan 0.000 0.511 79 S N 0.771 116.429 115.700 -0.070 0.000 2.603 79 S HA 0.760 5.229 4.470 -0.001 0.000 0.274 79 S C -0.225 174.360 174.600 -0.025 0.000 1.168 79 S CA 0.545 58.717 58.200 -0.047 0.000 0.963 79 S CB 0.633 63.803 63.200 -0.051 0.000 1.078 79 S HN 1.548 nan 8.310 nan 0.000 0.477 80 G N 3.097 111.889 108.800 -0.013 0.000 2.260 80 G HA2 0.081 4.041 3.960 -0.001 0.000 0.250 80 G HA3 0.081 4.041 3.960 -0.001 0.000 0.250 80 G C -1.753 173.151 174.900 0.006 0.000 1.340 80 G CA -0.938 44.163 45.100 0.002 0.000 1.056 80 G HN 0.750 nan 8.290 nan 0.000 0.471 81 L N 2.134 123.368 121.223 0.017 0.000 2.597 81 L HA 0.100 4.439 4.340 -0.001 0.000 0.271 81 L C 2.431 179.311 176.870 0.016 0.000 1.157 81 L CA 0.947 55.798 54.840 0.017 0.000 0.928 81 L CB 0.213 42.285 42.059 0.023 0.000 1.216 81 L HN 0.810 nan 8.230 nan 0.000 0.481 82 V N 6.008 125.927 119.914 0.008 0.000 2.250 82 V HA -0.373 3.746 4.120 -0.001 0.000 0.250 82 V C 2.340 178.443 176.094 0.015 0.000 1.060 82 V CA 2.456 64.759 62.300 0.006 0.000 1.030 82 V CB -0.130 31.694 31.823 0.001 0.000 0.643 82 V HN 0.968 nan 8.190 nan 0.000 0.445 83 A N -0.380 122.451 122.820 0.019 0.000 1.859 83 A HA -0.319 4.000 4.320 -0.001 0.000 0.217 83 A C 1.926 179.539 177.584 0.048 0.000 1.198 83 A CA 2.489 54.543 52.037 0.028 0.000 0.629 83 A CB -1.244 17.769 19.000 0.023 0.000 0.830 83 A HN 0.673 nan 8.150 nan 0.000 0.446 84 D N -0.195 120.242 120.400 0.061 0.000 2.133 84 D HA -0.072 4.568 4.640 -0.001 0.000 0.195 84 D C 2.185 178.539 176.300 0.090 0.000 0.997 84 D CA 1.645 55.718 54.000 0.122 0.000 0.840 84 D CB -0.365 40.517 40.800 0.138 0.000 0.947 84 D HN 0.466 nan 8.370 nan 0.000 0.452 85 A N 0.583 123.428 122.820 0.041 0.000 1.877 85 A HA -0.208 4.111 4.320 -0.001 0.000 0.216 85 A C 2.143 179.731 177.584 0.008 0.000 1.186 85 A CA 1.763 53.804 52.037 0.006 0.000 0.620 85 A CB -0.550 18.444 19.000 -0.011 0.000 0.822 85 A HN 0.150 nan 8.150 nan 0.000 0.443 86 R N -0.427 120.084 120.500 0.018 0.000 2.103 86 R HA -0.145 4.194 4.340 -0.001 0.000 0.234 86 R C 2.107 178.430 176.300 0.039 0.000 1.132 86 R CA 2.178 58.292 56.100 0.023 0.000 0.925 86 R CB -0.806 29.508 30.300 0.024 0.000 0.842 86 R HN 0.338 nan 8.270 nan 0.000 0.430 87 V N 0.971 120.917 119.914 0.054 0.000 2.380 87 V HA -0.213 3.907 4.120 -0.001 0.000 0.251 87 V C 2.118 178.248 176.094 0.060 0.000 1.063 87 V CA 1.943 64.287 62.300 0.073 0.000 1.055 87 V CB -0.341 31.544 31.823 0.104 0.000 0.657 87 V HN 0.420 nan 8.190 nan 0.000 0.455 88 L N -0.625 120.593 121.223 -0.008 0.000 2.217 88 L HA -0.012 4.327 4.340 -0.001 0.000 0.211 88 L C 2.321 179.240 176.870 0.082 0.000 1.107 88 L CA 1.772 56.565 54.840 -0.078 0.000 0.783 88 L CB -0.347 41.583 42.059 -0.216 0.000 0.919 88 L HN 0.232 nan 8.230 nan 0.000 0.442 89 V N -0.736 119.221 119.914 0.071 0.000 2.244 89 V HA -0.262 3.857 4.120 -0.001 0.000 0.244 89 V C 2.176 178.329 176.094 0.098 0.000 1.042 89 V CA 1.873 64.227 62.300 0.091 0.000 1.006 89 V CB -0.555 31.294 31.823 0.042 0.000 0.641 89 V HN 0.387 nan 8.190 nan 0.000 0.446 90 D N -0.504 119.945 120.400 0.081 0.000 2.158 90 D HA -0.211 4.428 4.640 -0.001 0.000 0.197 90 D C 1.895 178.236 176.300 0.068 0.000 0.995 90 D CA 1.445 55.483 54.000 0.065 0.000 0.846 90 D CB -0.264 40.573 40.800 0.063 0.000 0.941 90 D HN 0.455 nan 8.370 nan 0.000 0.456 91 F N 1.709 121.653 119.950 -0.010 0.000 2.069 91 F HA -0.219 4.307 4.527 -0.001 0.000 0.298 91 F C 2.232 178.020 175.800 -0.019 0.000 1.113 91 F CA 1.859 59.847 58.000 -0.019 0.000 1.214 91 F CB -0.372 38.597 39.000 -0.051 0.000 0.978 91 F HN -0.054 nan 8.300 nan 0.000 0.474 92 A N 0.586 123.406 122.820 -0.000 0.000 1.940 92 A HA -0.200 4.119 4.320 -0.001 0.000 0.219 92 A C 2.336 179.832 177.584 -0.146 0.000 1.176 92 A CA 1.788 53.767 52.037 -0.097 0.000 0.631 92 A CB -0.799 18.261 19.000 0.101 0.000 0.814 92 A HN 0.489 nan 8.150 nan 0.000 0.446 93 R N -0.259 120.200 120.500 -0.069 0.000 2.082 93 R HA -0.161 4.179 4.340 -0.001 0.000 0.234 93 R C 2.299 178.536 176.300 -0.105 0.000 1.136 93 R CA 1.958 58.024 56.100 -0.056 0.000 0.935 93 R CB -0.705 29.585 30.300 -0.017 0.000 0.842 93 R HN 0.821 nan 8.270 nan 0.000 0.430 94 I N -1.857 118.625 120.570 -0.147 0.000 2.315 94 I HA -0.165 4.004 4.170 -0.001 0.000 0.248 94 I C 2.316 178.298 176.117 -0.225 0.000 1.117 94 I CA 1.746 62.953 61.300 -0.154 0.000 1.404 94 I CB -0.379 37.539 38.000 -0.138 0.000 1.071 94 I HN 0.020 nan 8.210 nan 0.000 0.419 95 S N 1.222 116.686 115.700 -0.393 0.000 2.383 95 S HA -0.134 4.336 4.470 -0.001 0.000 0.229 95 S C 2.216 176.681 174.600 -0.225 0.000 1.030 95 S CA 1.425 59.377 58.200 -0.413 0.000 1.002 95 S CB -0.472 62.325 63.200 -0.671 0.000 0.829 95 S HN 0.710 nan 8.310 nan 0.000 0.467 96 A N 1.259 123.970 122.820 -0.181 0.000 1.858 96 A HA -0.095 4.224 4.320 -0.001 0.000 0.216 96 A C 2.217 179.756 177.584 -0.075 0.000 1.190 96 A CA 1.511 53.481 52.037 -0.111 0.000 0.617 96 A CB -0.854 18.101 19.000 -0.074 0.000 0.827 96 A HN 0.530 nan 8.150 nan 0.000 0.443 97 Q N -0.075 119.683 119.800 -0.071 0.000 2.112 97 Q HA -0.261 4.078 4.340 -0.001 0.000 0.206 97 Q C 2.179 178.155 176.000 -0.040 0.000 0.987 97 Q CA 2.048 57.824 55.803 -0.045 0.000 0.858 97 Q CB -0.639 28.072 28.738 -0.044 0.000 0.905 97 Q HN 0.826 nan 8.270 nan 0.000 0.420 98 Q N 0.270 120.034 119.800 -0.060 0.000 2.045 98 Q HA -0.226 4.113 4.340 -0.001 0.000 0.206 98 Q C 2.095 178.099 176.000 0.006 0.000 0.991 98 Q CA 1.661 57.441 55.803 -0.039 0.000 0.851 98 Q CB -0.197 28.504 28.738 -0.061 0.000 0.911 98 Q HN 0.488 nan 8.270 nan 0.000 0.418 99 E N 0.890 121.095 120.200 0.009 0.000 2.110 99 E HA -0.204 4.145 4.350 -0.001 0.000 0.193 99 E C 1.722 178.384 176.600 0.103 0.000 0.988 99 E CA 1.082 57.534 56.400 0.086 0.000 0.804 99 E CB 0.175 29.876 29.700 0.001 0.000 0.745 99 E HN 0.191 nan 8.360 nan 0.000 0.458 100 K N 0.018 120.436 120.400 0.030 0.000 2.026 100 K HA -0.121 4.199 4.320 -0.001 0.000 0.208 100 K C 2.187 178.803 176.600 0.027 0.000 1.048 100 K CA 1.350 57.649 56.287 0.021 0.000 0.929 100 K CB -0.318 32.178 32.500 -0.006 0.000 0.713 100 K HN 0.090 nan 8.250 nan 0.000 0.439 101 V N 1.472 121.392 119.914 0.010 0.000 2.759 101 V HA -0.212 3.907 4.120 -0.001 0.000 0.256 101 V C 2.427 178.505 176.094 -0.026 0.000 1.080 101 V CA 2.385 64.680 62.300 -0.008 0.000 1.101 101 V CB -0.253 31.560 31.823 -0.017 0.000 0.698 101 V HN 0.582 nan 8.190 nan 0.000 0.477 102 T N -2.319 112.220 114.554 -0.026 0.000 2.925 102 T HA -0.098 4.251 4.350 -0.001 0.000 0.245 102 T C 1.711 176.289 174.700 -0.204 0.000 1.025 102 T CA 1.326 63.339 62.100 -0.145 0.000 1.149 102 T CB -0.465 68.264 68.868 -0.232 0.000 0.866 102 T HN 0.475 nan 8.240 nan 0.000 0.437 103 Y N 1.243 121.523 120.300 -0.034 0.000 2.517 103 Y HA 0.386 4.936 4.550 -0.000 0.000 0.281 103 Y C 2.283 178.162 175.900 -0.034 0.000 1.125 103 Y CA 0.293 58.373 58.100 -0.033 0.000 1.283 103 Y CB -0.038 38.400 38.460 -0.037 0.000 1.042 103 Y HN 0.545 nan 8.280 nan 0.000 0.547 104 G N -0.268 108.592 108.800 0.100 0.000 2.199 104 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.254 104 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.254 104 G C 0.247 175.162 174.900 0.025 0.000 0.982 104 G CA 0.314 45.439 45.100 0.042 0.000 0.632 104 G HN 0.440 nan 8.290 nan 0.000 0.529 105 S N -1.168 114.555 115.700 0.039 0.000 2.570 105 S HA 0.470 4.940 4.470 -0.001 0.000 0.286 105 S C -1.017 173.557 174.600 -0.044 0.000 1.143 105 S CA -0.248 57.939 58.200 -0.021 0.000 0.921 105 S CB 1.049 64.226 63.200 -0.038 0.000 1.108 105 S HN 1.545 nan 8.310 nan 0.000 0.456 106 L N 7.277 128.457 121.223 -0.073 0.000 2.415 106 L HA 0.410 4.749 4.340 -0.001 0.000 0.269 106 L C 1.190 177.998 176.870 -0.102 0.000 1.244 106 L CA 0.551 55.337 54.840 -0.090 0.000 1.113 106 L CB -0.042 41.970 42.059 -0.077 0.000 1.352 106 L HN 0.693 nan 8.230 nan 0.000 0.433 107 V N 4.276 124.120 119.914 -0.117 0.000 2.307 107 V HA -0.029 4.090 4.120 -0.001 0.000 0.245 107 V C 0.904 176.947 176.094 -0.086 0.000 1.045 107 V CA 1.347 63.586 62.300 -0.102 0.000 1.024 107 V CB -0.108 31.646 31.823 -0.114 0.000 0.651 107 V HN 0.910 nan 8.190 nan 0.000 0.449 108 N N 0.062 118.699 118.700 -0.106 0.000 2.479 108 N HA 0.224 4.963 4.740 -0.001 0.000 0.261 108 N C 0.439 175.893 175.510 -0.093 0.000 0.979 108 N CA -0.135 52.868 53.050 -0.079 0.000 0.930 108 N CB 1.382 39.818 38.487 -0.085 0.000 1.172 108 N HN 0.459 nan 8.380 nan 0.000 0.499 109 I N 2.720 123.264 120.570 -0.044 0.000 2.394 109 I HA -0.169 4.000 4.170 -0.001 0.000 0.251 109 I C 1.916 177.906 176.117 -0.211 0.000 1.136 109 I CA 1.286 62.546 61.300 -0.066 0.000 1.425 109 I CB 0.167 38.205 38.000 0.062 0.000 1.079 109 I HN 0.692 nan 8.210 nan 0.000 0.425 110 E N 1.040 121.104 120.200 -0.226 0.000 2.114 110 E HA -0.347 4.002 4.350 -0.001 0.000 0.199 110 E C 1.934 178.260 176.600 -0.456 0.000 1.008 110 E CA 1.777 57.829 56.400 -0.580 0.000 0.810 110 E CB -0.351 29.186 29.700 -0.272 0.000 0.739 110 E HN 0.598 nan 8.360 nan 0.000 0.456 111 N N 0.343 118.878 118.700 -0.275 0.000 2.120 111 N HA -0.176 4.563 4.740 -0.001 0.000 0.188 111 N C 2.155 177.516 175.510 -0.248 0.000 1.024 111 N CA 1.136 54.051 53.050 -0.226 0.000 0.852 111 N CB -0.147 38.232 38.487 -0.180 0.000 1.003 111 N HN 0.215 nan 8.380 nan 0.000 0.424 112 L N 1.247 122.305 121.223 -0.275 0.000 2.012 112 L HA -0.113 4.226 4.340 -0.001 0.000 0.210 112 L C 2.359 178.978 176.870 -0.419 0.000 1.073 112 L CA 1.442 56.101 54.840 -0.302 0.000 0.748 112 L CB -1.089 40.793 42.059 -0.294 0.000 0.891 112 L HN 0.002 nan 8.230 nan 0.000 0.431 113 V N -0.493 119.067 119.914 -0.589 0.000 2.343 113 V HA -0.304 3.816 4.120 -0.001 0.000 0.247 113 V C 2.669 178.561 176.094 -0.337 0.000 1.051 113 V CA 2.168 64.062 62.300 -0.677 0.000 1.036 113 V CB -0.410 31.000 31.823 -0.689 0.000 0.654 113 V HN 0.613 nan 8.190 nan 0.000 0.451 114 K N -0.456 119.770 120.400 -0.290 0.000 2.074 114 K HA -0.267 4.052 4.320 -0.001 0.000 0.209 114 K C 2.410 178.964 176.600 -0.077 0.000 1.048 114 K CA 2.203 58.396 56.287 -0.157 0.000 0.926 114 K CB -0.326 32.088 32.500 -0.143 0.000 0.713 114 K HN 0.439 nan 8.250 nan 0.000 0.444 115 R N 0.756 121.215 120.500 -0.068 0.000 2.080 115 R HA -0.137 4.203 4.340 -0.001 0.000 0.236 115 R C 2.266 178.655 176.300 0.148 0.000 1.137 115 R CA 1.485 57.614 56.100 0.048 0.000 0.943 115 R CB -0.497 29.832 30.300 0.048 0.000 0.846 115 R HN 0.095 nan 8.270 nan 0.000 0.431 116 V N 0.783 120.781 119.914 0.140 0.000 2.490 116 V HA -0.192 3.927 4.120 -0.001 0.000 0.250 116 V C 2.136 178.229 176.094 -0.001 0.000 1.061 116 V CA 2.082 64.485 62.300 0.171 0.000 1.064 116 V CB -0.369 31.552 31.823 0.163 0.000 0.670 116 V HN 0.546 nan 8.190 nan 0.000 0.461 117 A N -0.355 122.465 122.820 -0.001 0.000 1.877 117 A HA -0.227 4.092 4.320 -0.001 0.000 0.216 117 A C 1.957 179.548 177.584 0.010 0.000 1.186 117 A CA 1.977 54.019 52.037 0.009 0.000 0.620 117 A CB -0.807 18.199 19.000 0.010 0.000 0.822 117 A HN 0.603 nan 8.150 nan 0.000 0.443 118 D N -0.691 119.719 120.400 0.017 0.000 2.149 118 D HA -0.150 4.489 4.640 -0.001 0.000 0.198 118 D C 2.075 178.402 176.300 0.047 0.000 0.990 118 D CA 1.122 55.147 54.000 0.040 0.000 0.839 118 D CB -0.317 40.512 40.800 0.048 0.000 0.948 118 D HN 0.340 nan 8.370 nan 0.000 0.460 119 Q N 0.019 119.802 119.800 -0.029 0.000 2.045 119 Q HA -0.121 4.219 4.340 -0.001 0.000 0.206 119 Q C 2.270 178.299 176.000 0.047 0.000 0.991 119 Q CA 1.194 56.931 55.803 -0.110 0.000 0.851 119 Q CB -0.273 28.128 28.738 -0.562 0.000 0.911 119 Q HN 0.395 nan 8.270 nan 0.000 0.418 120 M N -0.001 119.575 119.600 -0.040 0.000 2.175 120 M HA -0.172 4.307 4.480 -0.001 0.000 0.264 120 M C 2.185 178.599 176.300 0.189 0.000 1.063 120 M CA 1.310 56.658 55.300 0.081 0.000 1.119 120 M CB -0.349 32.247 32.600 -0.007 0.000 1.377 120 M HN 0.094 nan 8.290 nan 0.000 0.415 121 Q N 1.084 120.960 119.800 0.127 0.000 2.170 121 Q HA -0.206 4.134 4.340 -0.001 0.000 0.203 121 Q C 1.748 177.837 176.000 0.149 0.000 0.976 121 Q CA 1.736 57.606 55.803 0.112 0.000 0.858 121 Q CB -0.188 28.593 28.738 0.072 0.000 0.907 121 Q HN 0.622 nan 8.270 nan 0.000 0.433 122 Q N -0.821 119.120 119.800 0.236 0.000 2.061 122 Q HA -0.178 4.161 4.340 -0.001 0.000 0.204 122 Q C 1.582 177.733 176.000 0.252 0.000 0.984 122 Q CA 1.526 57.498 55.803 0.281 0.000 0.846 122 Q CB -0.147 28.771 28.738 0.300 0.000 0.902 122 Q HN 0.479 nan 8.270 nan 0.000 0.421 123 Y N -0.151 120.225 120.300 0.126 0.000 2.680 123 Y HA -0.079 4.471 4.550 -0.001 0.000 0.303 123 Y C 2.155 178.058 175.900 0.005 0.000 1.166 123 Y CA 0.799 58.939 58.100 0.067 0.000 1.344 123 Y CB -0.255 38.213 38.460 0.014 0.000 1.002 123 Y HN 0.052 nan 8.280 nan 0.000 0.537 124 T N -0.430 114.198 114.554 0.123 0.000 3.023 124 T HA -0.130 4.219 4.350 -0.001 0.000 0.266 124 T C 1.685 176.322 174.700 -0.105 0.000 1.093 124 T CA 1.554 63.657 62.100 0.004 0.000 1.129 124 T CB -0.020 68.848 68.868 -0.000 0.000 0.899 124 T HN 0.635 nan 8.240 nan 0.000 0.491 125 Q N -1.335 118.372 119.800 -0.154 0.000 2.171 125 Q HA 0.129 4.468 4.340 -0.001 0.000 0.250 125 Q C 0.119 175.915 176.000 -0.339 0.000 0.791 125 Q CA -0.177 55.454 55.803 -0.286 0.000 0.950 125 Q CB -0.125 28.396 28.738 -0.362 0.000 1.151 125 Q HN 0.352 nan 8.270 nan 0.000 0.480 126 Y N 3.133 123.372 120.300 -0.102 0.000 3.180 126 Y HA 0.256 4.805 4.550 -0.001 0.000 0.386 126 Y C 1.617 177.446 175.900 -0.117 0.000 1.054 126 Y CA 0.988 59.014 58.100 -0.123 0.000 2.020 126 Y CB -0.629 37.722 38.460 -0.182 0.000 2.171 126 Y HN 0.460 nan 8.280 nan 0.000 0.415 127 G N 0.875 109.672 108.800 -0.005 0.000 2.685 127 G HA2 -0.388 3.571 3.960 -0.001 0.000 0.329 127 G HA3 -0.388 3.571 3.960 -0.001 0.000 0.329 127 G C 1.207 176.103 174.900 -0.006 0.000 1.271 127 G CA -0.038 45.059 45.100 -0.005 0.000 1.003 127 G HN 0.862 nan 8.290 nan 0.000 0.549 128 G N -0.279 108.519 108.800 -0.004 0.000 2.641 128 G HA2 0.497 4.456 3.960 -0.001 0.000 0.278 128 G HA3 0.497 4.456 3.960 -0.001 0.000 0.278 128 G C -0.174 174.716 174.900 -0.016 0.000 0.655 128 G CA 1.311 46.405 45.100 -0.010 0.000 2.105 128 G HN 1.809 nan 8.290 nan 0.000 0.558 129 V N 1.614 121.526 119.914 -0.004 0.000 2.915 129 V HA 0.361 4.480 4.120 -0.001 0.000 0.273 129 V C -0.304 175.824 176.094 0.057 0.000 1.538 129 V CA -1.220 61.093 62.300 0.022 0.000 0.946 129 V CB 1.723 33.534 31.823 -0.019 0.000 1.183 129 V HN 0.720 nan 8.190 nan 0.000 0.446 130 R N 6.487 127.010 120.500 0.038 0.000 2.438 130 R HA 0.490 4.829 4.340 -0.001 0.000 0.287 130 R C -2.351 173.928 176.300 -0.035 0.000 1.077 130 R CA -0.987 55.116 56.100 0.006 0.000 1.034 130 R CB 1.246 31.532 30.300 -0.022 0.000 0.993 130 R HN 0.543 nan 8.270 nan 0.000 0.459 131 P HA -0.050 nan 4.420 nan 0.000 0.271 131 P C -1.185 175.997 177.300 -0.197 0.000 1.244 131 P CA 0.066 63.136 63.100 -0.051 0.000 0.793 131 P CB 0.259 31.976 31.700 0.029 0.000 0.984 132 Y N -0.068 120.168 120.300 -0.107 0.000 2.531 132 Y HA 0.312 4.861 4.550 -0.001 0.000 0.347 132 Y C 1.672 177.540 175.900 -0.052 0.000 1.024 132 Y CA 0.308 58.335 58.100 -0.122 0.000 1.306 132 Y CB -0.297 38.057 38.460 -0.177 0.000 1.149 132 Y HN 0.339 nan 8.280 nan 0.000 0.527 133 G N 3.549 112.394 108.800 0.074 0.000 3.101 133 G HA2 0.406 4.366 3.960 -0.001 0.000 0.272 133 G HA3 0.406 4.366 3.960 -0.001 0.000 0.272 133 G C -0.880 174.057 174.900 0.062 0.000 0.801 133 G CA -0.053 45.083 45.100 0.061 0.000 1.978 133 G HN 0.547 nan 8.290 nan 0.000 0.591 134 V N -0.271 119.683 119.914 0.066 0.000 3.167 134 V HA 0.820 4.939 4.120 -0.001 0.000 0.293 134 V C -1.141 174.964 176.094 0.018 0.000 1.379 134 V CA -0.653 61.668 62.300 0.034 0.000 1.019 134 V CB 2.107 33.947 31.823 0.028 0.000 1.115 134 V HN 0.343 nan 8.190 nan 0.000 0.442 135 S N 4.176 119.871 115.700 -0.009 0.000 2.570 135 S HA 1.015 5.484 4.470 -0.001 0.000 0.286 135 S C -1.383 173.173 174.600 -0.074 0.000 1.099 135 S CA -0.575 57.612 58.200 -0.022 0.000 0.913 135 S CB 1.628 64.819 63.200 -0.015 0.000 1.085 135 S HN 1.305 nan 8.310 nan 0.000 0.480 136 L N 0.312 121.468 121.223 -0.112 0.000 2.720 136 L HA 0.769 5.109 4.340 -0.001 0.000 0.261 136 L C -1.063 175.626 176.870 -0.303 0.000 1.046 136 L CA -1.022 53.674 54.840 -0.241 0.000 0.886 136 L CB 0.610 42.463 42.059 -0.343 0.000 1.493 136 L HN 0.749 nan 8.230 nan 0.000 0.407 137 I N -1.807 118.519 120.570 -0.406 0.000 2.582 137 I HA 0.768 4.937 4.170 -0.001 0.000 0.292 137 I C -1.562 174.290 176.117 -0.441 0.000 1.066 137 I CA -0.528 60.592 61.300 -0.299 0.000 1.053 137 I CB 2.204 40.105 38.000 -0.164 0.000 1.241 137 I HN 0.443 nan 8.210 nan 0.000 0.421 138 F N 4.210 124.226 119.950 0.110 0.000 2.443 138 F HA 0.859 5.385 4.527 -0.001 0.000 0.335 138 F C 0.452 176.350 175.800 0.164 0.000 1.104 138 F CA -0.552 57.524 58.000 0.127 0.000 1.013 138 F CB 2.089 41.178 39.000 0.148 0.000 1.136 138 F HN 0.726 nan 8.300 nan 0.000 0.470 139 A N 1.677 124.679 122.820 0.303 0.000 2.486 139 A HA 0.955 5.274 4.320 -0.001 0.000 0.300 139 A C -0.442 177.342 177.584 0.333 0.000 1.048 139 A CA -0.136 52.054 52.037 0.255 0.000 0.696 139 A CB 1.656 20.766 19.000 0.183 0.000 1.278 139 A HN 1.255 nan 8.150 nan 0.000 0.405 140 G N -0.149 108.788 108.800 0.229 0.000 2.313 140 G HA2 0.489 4.448 3.960 -0.001 0.000 0.296 140 G HA3 0.489 4.448 3.960 -0.001 0.000 0.296 140 G C -1.782 173.166 174.900 0.080 0.000 1.356 140 G CA -0.131 45.086 45.100 0.195 0.000 0.833 140 G HN 1.482 nan 8.290 nan 0.000 0.552 141 I N 1.572 122.180 120.570 0.064 0.000 2.406 141 I HA 0.561 4.730 4.170 -0.001 0.000 0.290 141 I C -1.092 175.078 176.117 0.088 0.000 0.999 141 I CA -0.658 60.668 61.300 0.044 0.000 1.124 141 I CB 1.405 39.403 38.000 -0.004 0.000 1.289 141 I HN 0.843 nan 8.210 nan 0.000 0.441 142 D N 5.358 125.792 120.400 0.057 0.000 2.666 142 D HA 0.140 4.780 4.640 -0.001 0.000 0.252 142 D C 0.488 176.791 176.300 0.005 0.000 1.143 142 D CA -0.239 53.778 54.000 0.028 0.000 1.096 142 D CB 0.576 41.395 40.800 0.032 0.000 1.260 142 D HN 0.464 nan 8.370 nan 0.000 0.633 143 Q N -0.670 119.120 119.800 -0.016 0.000 2.181 143 Q HA -0.031 4.309 4.340 -0.001 0.000 0.205 143 Q C 1.715 177.711 176.000 -0.007 0.000 0.980 143 Q CA 1.715 57.505 55.803 -0.021 0.000 0.862 143 Q CB -0.368 28.349 28.738 -0.034 0.000 0.905 143 Q HN 0.611 nan 8.270 nan 0.000 0.429 144 I N -1.309 119.263 120.570 0.003 0.000 2.716 144 I HA 0.169 4.339 4.170 -0.001 0.000 0.259 144 I C 1.197 177.318 176.117 0.006 0.000 1.172 144 I CA 0.576 61.881 61.300 0.009 0.000 1.478 144 I CB 0.022 38.035 38.000 0.022 0.000 1.104 144 I HN 0.332 nan 8.210 nan 0.000 0.439 145 G N 0.345 109.150 108.800 0.009 0.000 2.293 145 G HA2 -0.018 3.942 3.960 -0.001 0.000 0.282 145 G HA3 -0.018 3.942 3.960 -0.001 0.000 0.282 145 G C -3.094 171.800 174.900 -0.010 0.000 1.299 145 G CA -1.091 44.007 45.100 -0.005 0.000 1.018 145 G HN -0.213 nan 8.290 nan 0.000 0.478 146 P HA 0.414 nan 4.420 nan 0.000 0.267 146 P C -0.414 176.853 177.300 -0.054 0.000 1.205 146 P CA 0.275 63.329 63.100 -0.077 0.000 0.765 146 P CB 0.482 32.087 31.700 -0.158 0.000 0.828 147 R N 2.387 122.876 120.500 -0.019 0.000 2.725 147 R HA 0.715 5.054 4.340 -0.001 0.000 0.277 147 R C -1.396 174.870 176.300 -0.058 0.000 0.987 147 R CA -1.113 54.962 56.100 -0.042 0.000 0.901 147 R CB 1.957 32.336 30.300 0.132 0.000 1.207 147 R HN 0.297 nan 8.270 nan 0.000 0.463 148 L N 2.660 123.715 121.223 -0.280 0.000 2.406 148 L HA 0.588 4.927 4.340 -0.001 0.000 0.272 148 L C -1.812 174.824 176.870 -0.389 0.000 0.980 148 L CA -0.312 54.419 54.840 -0.182 0.000 0.831 148 L CB 1.289 43.280 42.059 -0.114 0.000 1.253 148 L HN 0.522 nan 8.230 nan 0.000 0.406 149 F N 2.751 122.813 119.950 0.187 0.000 2.603 149 F HA 0.669 5.195 4.527 -0.001 0.000 0.317 149 F C -0.417 175.502 175.800 0.198 0.000 1.066 149 F CA -0.619 57.527 58.000 0.244 0.000 0.941 149 F CB 2.079 41.229 39.000 0.251 0.000 1.291 149 F HN 0.584 nan 8.300 nan 0.000 0.472 150 D N 0.071 120.721 120.400 0.417 0.000 2.547 150 D HA 0.528 5.168 4.640 -0.001 0.000 0.231 150 D C -1.562 174.889 176.300 0.253 0.000 1.099 150 D CA -0.490 53.627 54.000 0.195 0.000 0.901 150 D CB 1.862 42.651 40.800 -0.018 0.000 1.478 150 D HN 0.638 nan 8.370 nan 0.000 0.471 151 C N 2.080 121.471 119.300 0.151 0.000 2.782 151 C HA 0.570 5.029 4.460 -0.001 0.000 0.328 151 C C -1.451 173.588 174.990 0.081 0.000 1.145 151 C CA -0.430 58.680 59.018 0.153 0.000 1.358 151 C CB 0.976 28.851 27.740 0.226 0.000 1.841 151 C HN 0.787 nan 8.230 nan 0.000 0.477 152 D N 4.134 124.581 120.400 0.078 0.000 2.442 152 D HA 0.466 5.105 4.640 -0.001 0.000 0.254 152 D C -2.287 174.047 176.300 0.056 0.000 1.069 152 D CA -1.741 52.292 54.000 0.055 0.000 1.017 152 D CB 0.847 41.680 40.800 0.056 0.000 1.172 152 D HN 0.194 nan 8.370 nan 0.000 0.561 153 P HA -0.025 nan 4.420 nan 0.000 0.223 153 P C 0.933 178.272 177.300 0.065 0.000 1.144 153 P CA 1.877 65.017 63.100 0.067 0.000 0.783 153 P CB 0.055 31.793 31.700 0.064 0.000 0.771 154 A N -1.063 121.787 122.820 0.050 0.000 2.167 154 A HA 0.353 4.672 4.320 -0.001 0.000 0.214 154 A C 1.791 179.405 177.584 0.050 0.000 1.151 154 A CA 1.066 53.128 52.037 0.041 0.000 0.735 154 A CB -1.153 17.864 19.000 0.028 0.000 0.802 154 A HN 0.255 nan 8.150 nan 0.000 0.467 155 G N -1.687 107.147 108.800 0.057 0.000 2.157 155 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.239 155 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.239 155 G C 0.327 175.262 174.900 0.058 0.000 0.982 155 G CA 0.317 45.450 45.100 0.056 0.000 0.650 155 G HN 0.639 nan 8.290 nan 0.000 0.527 156 T N 1.139 115.731 114.554 0.064 0.000 2.884 156 T HA 0.551 4.901 4.350 -0.001 0.000 0.298 156 T C 0.282 175.045 174.700 0.104 0.000 0.998 156 T CA 0.541 62.684 62.100 0.072 0.000 1.124 156 T CB 1.989 70.898 68.868 0.067 0.000 0.931 156 T HN 0.778 nan 8.240 nan 0.000 0.531 157 I N 2.588 123.226 120.570 0.113 0.000 2.582 157 I HA 0.570 4.739 4.170 -0.001 0.000 0.292 157 I C -1.575 174.665 176.117 0.204 0.000 1.066 157 I CA -0.876 60.527 61.300 0.172 0.000 1.053 157 I CB 1.909 39.977 38.000 0.114 0.000 1.241 157 I HN 0.640 nan 8.210 nan 0.000 0.421 158 N N 4.555 123.442 118.700 0.311 0.000 2.331 158 N HA 0.333 5.072 4.740 -0.001 0.000 0.280 158 N C -1.848 173.815 175.510 0.254 0.000 1.155 158 N CA -0.840 52.331 53.050 0.202 0.000 0.822 158 N CB 1.941 40.419 38.487 -0.015 0.000 1.619 158 N HN 0.588 nan 8.380 nan 0.000 0.476 159 E N 1.050 121.230 120.200 -0.034 0.000 2.216 159 E HA 0.356 4.705 4.350 -0.001 0.000 0.279 159 E C -1.246 175.137 176.600 -0.363 0.000 0.997 159 E CA -0.351 55.837 56.400 -0.353 0.000 0.817 159 E CB 0.711 30.086 29.700 -0.541 0.000 1.096 159 E HN 0.427 nan 8.360 nan 0.000 0.393 160 Y N 2.316 122.445 120.300 -0.285 0.000 2.650 160 Y HA 0.291 4.841 4.550 -0.001 0.000 0.331 160 Y C 0.864 176.633 175.900 -0.219 0.000 1.082 160 Y CA -0.897 57.081 58.100 -0.203 0.000 1.171 160 Y CB 1.154 39.514 38.460 -0.167 0.000 1.326 160 Y HN 0.494 nan 8.280 nan 0.000 0.513 161 K N 0.502 120.882 120.400 -0.033 0.000 2.335 161 K HA 0.650 4.969 4.320 -0.001 0.000 0.195 161 K C -0.857 175.568 176.600 -0.292 0.000 1.058 161 K CA 0.719 56.927 56.287 -0.132 0.000 0.988 161 K CB 0.679 33.100 32.500 -0.131 0.000 0.880 161 K HN 0.672 nan 8.250 nan 0.000 0.513 162 A N -0.992 121.669 122.820 -0.265 0.000 2.590 162 A HA 0.541 4.861 4.320 -0.001 0.000 0.296 162 A C -0.898 176.563 177.584 -0.205 0.000 1.050 162 A CA -0.255 51.590 52.037 -0.321 0.000 0.697 162 A CB 1.070 19.663 19.000 -0.679 0.000 1.277 162 A HN 0.017 nan 8.150 nan 0.000 0.411 163 T N -0.927 113.472 114.554 -0.258 0.000 2.686 163 T HA 0.861 5.210 4.350 -0.001 0.000 0.308 163 T C -1.182 173.350 174.700 -0.279 0.000 1.667 163 T CA 0.680 62.567 62.100 -0.355 0.000 0.987 163 T CB 1.063 69.367 68.868 -0.942 0.000 1.652 163 T HN 2.600 nan 8.240 nan 0.000 0.496 164 A N 0.759 123.422 122.820 -0.262 0.000 2.583 164 A HA 0.980 5.300 4.320 -0.001 0.000 0.289 164 A C -1.699 175.783 177.584 -0.170 0.000 1.151 164 A CA -0.601 51.327 52.037 -0.183 0.000 0.695 164 A CB 1.546 20.472 19.000 -0.124 0.000 1.290 164 A HN 1.129 nan 8.150 nan 0.000 0.419 165 I N -2.176 118.320 120.570 -0.124 0.000 3.021 165 I HA 0.676 4.845 4.170 -0.001 0.000 0.305 165 I C 0.380 176.455 176.117 -0.070 0.000 1.434 165 I CA 1.224 62.465 61.300 -0.097 0.000 0.969 165 I CB 1.869 39.801 38.000 -0.114 0.000 1.328 165 I HN 2.312 nan 8.210 nan 0.000 0.486 166 G N 2.146 110.916 108.800 -0.050 0.000 2.445 166 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.212 166 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.212 166 G C 0.430 175.316 174.900 -0.023 0.000 1.217 166 G CA 0.480 45.558 45.100 -0.036 0.000 1.002 166 G HN 1.113 nan 8.290 nan 0.000 0.574 167 S N -0.131 115.557 115.700 -0.019 0.000 2.361 167 S HA 0.107 4.576 4.470 -0.001 0.000 0.214 167 S C 2.230 176.826 174.600 -0.007 0.000 1.034 167 S CA 2.401 60.596 58.200 -0.010 0.000 1.025 167 S CB -0.993 62.202 63.200 -0.009 0.000 0.996 167 S HN 2.083 nan 8.310 nan 0.000 0.422 168 G N 1.332 110.125 108.800 -0.011 0.000 3.414 168 G HA2 0.113 4.072 3.960 -0.001 0.000 0.258 168 G HA3 0.113 4.072 3.960 -0.001 0.000 0.258 168 G C 0.828 175.723 174.900 -0.009 0.000 1.348 168 G CA -0.100 44.997 45.100 -0.005 0.000 1.319 168 G HN 0.586 nan 8.290 nan 0.000 0.555 169 K N 0.537 120.929 120.400 -0.014 0.000 1.978 169 K HA -0.140 4.179 4.320 -0.001 0.000 0.214 169 K C 1.829 178.428 176.600 -0.002 0.000 1.049 169 K CA 1.669 57.943 56.287 -0.021 0.000 0.939 169 K CB -0.161 32.324 32.500 -0.025 0.000 0.721 169 K HN 0.226 nan 8.250 nan 0.000 0.441 170 D N 0.446 120.853 120.400 0.011 0.000 2.157 170 D HA -0.252 4.387 4.640 -0.001 0.000 0.191 170 D C 1.803 178.125 176.300 0.037 0.000 1.004 170 D CA 1.655 55.670 54.000 0.025 0.000 0.854 170 D CB -0.179 40.637 40.800 0.026 0.000 0.936 170 D HN 0.449 nan 8.370 nan 0.000 0.446 171 A N 1.097 123.940 122.820 0.037 0.000 1.828 171 A HA -0.138 4.182 4.320 -0.001 0.000 0.215 171 A C 2.483 180.118 177.584 0.086 0.000 1.203 171 A CA 1.651 53.724 52.037 0.059 0.000 0.614 171 A CB -1.161 17.870 19.000 0.051 0.000 0.844 171 A HN 0.164 nan 8.150 nan 0.000 0.445 172 V N -0.394 119.552 119.914 0.053 0.000 2.324 172 V HA -0.213 3.906 4.120 -0.001 0.000 0.250 172 V C 2.393 178.518 176.094 0.053 0.000 1.060 172 V CA 2.591 64.912 62.300 0.036 0.000 1.042 172 V CB -0.415 31.384 31.823 -0.041 0.000 0.650 172 V HN 0.383 nan 8.190 nan 0.000 0.450 173 V N -0.157 119.776 119.914 0.031 0.000 2.332 173 V HA -0.234 3.885 4.120 -0.001 0.000 0.248 173 V C 2.627 178.773 176.094 0.087 0.000 1.055 173 V CA 2.855 65.175 62.300 0.032 0.000 1.038 173 V CB -0.291 31.540 31.823 0.013 0.000 0.651 173 V HN 0.744 nan 8.190 nan 0.000 0.450 174 S N -0.205 115.557 115.700 0.103 0.000 2.368 174 S HA -0.156 4.314 4.470 -0.001 0.000 0.224 174 S C 1.696 176.402 174.600 0.176 0.000 1.029 174 S CA 1.686 59.953 58.200 0.111 0.000 0.988 174 S CB -0.517 62.731 63.200 0.081 0.000 0.838 174 S HN 0.715 nan 8.310 nan 0.000 0.462 175 F N 2.921 122.887 119.950 0.026 0.000 2.069 175 F HA -0.133 4.394 4.527 -0.001 0.000 0.298 175 F C 1.814 177.648 175.800 0.056 0.000 1.113 175 F CA 1.129 59.150 58.000 0.035 0.000 1.214 175 F CB -0.722 38.295 39.000 0.028 0.000 0.978 175 F HN 0.071 nan 8.300 nan 0.000 0.474 176 L N 0.568 122.051 121.223 0.435 0.000 1.994 176 L HA -0.216 4.124 4.340 -0.001 0.000 0.208 176 L C 2.485 179.515 176.870 0.266 0.000 1.071 176 L CA 2.149 57.176 54.840 0.312 0.000 0.745 176 L CB -1.938 40.187 42.059 0.111 0.000 0.892 176 L HN 0.238 nan 8.230 nan 0.000 0.431 177 E N 0.075 120.379 120.200 0.174 0.000 2.208 177 E HA -0.272 4.077 4.350 -0.001 0.000 0.202 177 E C 2.345 179.026 176.600 0.136 0.000 1.014 177 E CA 1.836 58.314 56.400 0.129 0.000 0.819 177 E CB -0.039 29.717 29.700 0.094 0.000 0.735 177 E HN 0.391 nan 8.360 nan 0.000 0.469 178 R N -0.204 120.382 120.500 0.144 0.000 2.051 178 R HA 0.084 4.423 4.340 -0.001 0.000 0.218 178 R C 1.380 177.750 176.300 0.116 0.000 1.188 178 R CA 1.026 57.180 56.100 0.090 0.000 0.992 178 R CB -0.044 30.263 30.300 0.011 0.000 0.883 178 R HN 0.090 nan 8.270 nan 0.000 0.444 179 E N 0.273 120.580 120.200 0.178 0.000 2.403 179 E HA -0.051 4.298 4.350 -0.001 0.000 0.188 179 E C -0.919 175.831 176.600 0.251 0.000 1.056 179 E CA -0.316 56.205 56.400 0.201 0.000 0.892 179 E CB 0.235 30.075 29.700 0.233 0.000 1.049 179 E HN 0.241 nan 8.360 nan 0.000 0.465 180 Y N 2.021 122.408 120.300 0.146 0.000 2.465 180 Y HA 0.119 4.668 4.550 -0.001 0.000 0.331 180 Y C -0.199 175.749 175.900 0.080 0.000 1.102 180 Y CA -0.420 57.745 58.100 0.107 0.000 1.358 180 Y CB 0.455 38.967 38.460 0.087 0.000 1.213 180 Y HN -0.314 nan 8.280 nan 0.000 0.525 181 K N 5.606 125.582 120.400 -0.707 0.000 2.316 181 K HA 0.181 4.500 4.320 -0.001 0.000 0.267 181 K C 0.654 176.770 176.600 -0.806 0.000 1.025 181 K CA -0.394 55.566 56.287 -0.547 0.000 0.896 181 K CB 1.011 33.361 32.500 -0.250 0.000 1.124 181 K HN 0.825 nan 8.250 nan 0.000 0.451 182 E N 3.344 123.229 120.200 -0.524 0.000 2.223 182 E HA -0.325 4.025 4.350 -0.001 0.000 0.249 182 E C -0.379 176.153 176.600 -0.112 0.000 1.008 182 E CA 2.330 58.595 56.400 -0.224 0.000 0.975 182 E CB -0.178 29.494 29.700 -0.047 0.000 0.901 182 E HN 0.732 nan 8.360 nan 0.000 0.537 183 N N -0.221 118.448 118.700 -0.052 0.000 2.758 183 N HA 0.174 4.913 4.740 -0.001 0.000 0.293 183 N C -1.166 174.358 175.510 0.024 0.000 1.273 183 N CA -0.469 52.594 53.050 0.021 0.000 1.022 183 N CB 0.209 38.715 38.487 0.030 0.000 1.334 183 N HN 0.108 nan 8.380 nan 0.000 0.519 184 L N 1.552 122.769 121.223 -0.011 0.000 2.534 184 L HA 0.222 4.562 4.340 -0.001 0.000 0.271 184 L C -2.225 174.655 176.870 0.017 0.000 1.178 184 L CA -1.689 53.140 54.840 -0.018 0.000 0.907 184 L CB 0.204 42.225 42.059 -0.063 0.000 1.164 184 L HN 0.116 nan 8.230 nan 0.000 0.482 185 P HA 0.026 nan 4.420 nan 0.000 0.268 185 P C 0.471 177.616 177.300 -0.258 0.000 1.205 185 P CA -0.090 62.970 63.100 -0.067 0.000 0.771 185 P CB 0.585 32.265 31.700 -0.034 0.000 0.858 186 E N 3.500 123.370 120.200 -0.550 0.000 2.170 186 E HA -0.403 3.946 4.350 -0.001 0.000 0.229 186 E C 1.661 178.018 176.600 -0.406 0.000 1.074 186 E CA 2.188 58.053 56.400 -0.893 0.000 0.930 186 E CB -0.149 29.144 29.700 -0.679 0.000 0.806 186 E HN 0.332 nan 8.360 nan 0.000 0.478 187 K N 0.036 120.347 120.400 -0.149 0.000 2.044 187 K HA -0.238 4.081 4.320 -0.001 0.000 0.210 187 K C 2.084 178.712 176.600 0.047 0.000 1.049 187 K CA 2.121 58.441 56.287 0.054 0.000 0.927 187 K CB -0.062 32.501 32.500 0.106 0.000 0.713 187 K HN 0.262 nan 8.250 nan 0.000 0.443 188 E N -0.423 119.763 120.200 -0.024 0.000 2.152 188 E HA -0.137 4.213 4.350 -0.001 0.000 0.192 188 E C 1.969 178.544 176.600 -0.041 0.000 0.983 188 E CA 0.745 57.140 56.400 -0.009 0.000 0.818 188 E CB -0.035 29.655 29.700 -0.017 0.000 0.758 188 E HN 0.408 nan 8.360 nan 0.000 0.467 189 A N 1.389 124.139 122.820 -0.117 0.000 1.877 189 A HA -0.150 4.169 4.320 -0.001 0.000 0.216 189 A C 2.468 179.987 177.584 -0.108 0.000 1.186 189 A CA 1.452 53.431 52.037 -0.096 0.000 0.620 189 A CB -0.936 17.971 19.000 -0.154 0.000 0.822 189 A HN 0.224 nan 8.150 nan 0.000 0.443 190 V N -0.112 119.677 119.914 -0.208 0.000 2.392 190 V HA -0.215 3.904 4.120 -0.001 0.000 0.249 190 V C 2.313 178.303 176.094 -0.174 0.000 1.059 190 V CA 3.244 65.374 62.300 -0.283 0.000 1.051 190 V CB -1.135 30.353 31.823 -0.558 0.000 0.658 190 V HN 0.604 nan 8.190 nan 0.000 0.455 191 T N 1.382 115.911 114.554 -0.043 0.000 2.595 191 T HA -0.203 4.146 4.350 -0.001 0.000 0.264 191 T C 1.832 176.528 174.700 -0.008 0.000 1.058 191 T CA 2.128 64.260 62.100 0.055 0.000 1.166 191 T CB -0.625 68.314 68.868 0.119 0.000 0.863 191 T HN 0.481 nan 8.240 nan 0.000 0.415 192 L N 1.601 122.819 121.223 -0.009 0.000 2.064 192 L HA -0.100 4.240 4.340 -0.001 0.000 0.216 192 L C 2.390 179.164 176.870 -0.161 0.000 1.077 192 L CA 2.382 57.205 54.840 -0.029 0.000 0.766 192 L CB -1.307 40.766 42.059 0.023 0.000 0.890 192 L HN 0.318 nan 8.230 nan 0.000 0.435 193 G N -0.388 108.337 108.800 -0.125 0.000 2.484 193 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.215 193 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.215 193 G C 1.719 176.499 174.900 -0.200 0.000 1.219 193 G CA 0.933 45.933 45.100 -0.167 0.000 0.791 193 G HN 0.528 nan 8.290 nan 0.000 0.550 194 I N 0.343 120.825 120.570 -0.146 0.000 2.315 194 I HA -0.173 3.996 4.170 -0.001 0.000 0.251 194 I C 2.683 178.738 176.117 -0.103 0.000 1.125 194 I CA 1.877 63.112 61.300 -0.108 0.000 1.392 194 I CB -0.109 37.860 38.000 -0.051 0.000 1.065 194 I HN 0.218 nan 8.210 nan 0.000 0.424 195 K N 0.845 121.175 120.400 -0.117 0.000 2.001 195 K HA -0.184 4.136 4.320 -0.001 0.000 0.208 195 K C 2.141 178.583 176.600 -0.265 0.000 1.048 195 K CA 1.455 57.693 56.287 -0.081 0.000 0.932 195 K CB -0.217 32.294 32.500 0.019 0.000 0.715 195 K HN 0.414 nan 8.250 nan 0.000 0.437 196 A N 1.449 123.829 122.820 -0.732 0.000 1.883 196 A HA -0.184 4.135 4.320 -0.001 0.000 0.217 196 A C 2.078 179.450 177.584 -0.353 0.000 1.186 196 A CA 1.604 52.998 52.037 -1.072 0.000 0.624 196 A CB -0.722 17.646 19.000 -1.053 0.000 0.822 196 A HN 0.424 nan 8.150 nan 0.000 0.444 197 L N -0.330 120.752 121.223 -0.236 0.000 2.046 197 L HA -0.132 4.207 4.340 -0.001 0.000 0.208 197 L C 2.170 179.003 176.870 -0.061 0.000 1.077 197 L CA 2.528 57.295 54.840 -0.122 0.000 0.747 197 L CB -0.591 41.403 42.059 -0.109 0.000 0.896 197 L HN 0.418 nan 8.230 nan 0.000 0.432 198 K N -0.414 119.957 120.400 -0.048 0.000 1.965 198 K HA -0.227 4.093 4.320 -0.001 0.000 0.218 198 K C 2.218 178.841 176.600 0.038 0.000 1.048 198 K CA 2.333 58.622 56.287 0.004 0.000 0.960 198 K CB -0.418 32.096 32.500 0.023 0.000 0.732 198 K HN 0.616 nan 8.250 nan 0.000 0.444 199 S N 0.580 116.336 115.700 0.093 0.000 2.407 199 S HA -0.330 4.139 4.470 -0.001 0.000 0.244 199 S C 2.111 176.770 174.600 0.098 0.000 1.077 199 S CA 2.197 60.483 58.200 0.144 0.000 1.159 199 S CB -1.242 62.151 63.200 0.321 0.000 1.045 199 S HN 0.460 nan 8.310 nan 0.000 0.438 200 S N 1.468 117.219 115.700 0.085 0.000 2.523 200 S HA -0.077 4.393 4.470 -0.001 0.000 0.226 200 S C 1.816 176.435 174.600 0.031 0.000 1.062 200 S CA 1.391 59.623 58.200 0.054 0.000 1.207 200 S CB -0.849 62.366 63.200 0.025 0.000 1.151 200 S HN 0.471 nan 8.310 nan 0.000 0.408 201 L N 1.382 122.613 121.223 0.013 0.000 2.353 201 L HA 0.046 4.386 4.340 -0.001 0.000 0.220 201 L C 1.085 177.962 176.870 0.013 0.000 1.133 201 L CA 1.570 56.415 54.840 0.008 0.000 0.798 201 L CB -1.533 40.524 42.059 -0.005 0.000 0.922 201 L HN 0.401 nan 8.230 nan 0.000 0.445 202 E N 0.275 120.487 120.200 0.020 0.000 2.506 202 E HA -0.111 4.238 4.350 -0.001 0.000 0.210 202 E C 1.567 178.182 176.600 0.024 0.000 1.325 202 E CA 0.002 56.416 56.400 0.023 0.000 1.273 202 E CB -0.425 29.292 29.700 0.028 0.000 1.276 202 E HN 0.339 nan 8.360 nan 0.000 0.442 203 E N -0.298 119.914 120.200 0.020 0.000 2.152 203 E HA -0.063 4.287 4.350 -0.001 0.000 0.192 203 E C 1.078 177.687 176.600 0.015 0.000 0.983 203 E CA 0.784 57.196 56.400 0.019 0.000 0.818 203 E CB 0.030 29.740 29.700 0.016 0.000 0.758 203 E HN 0.303 nan 8.360 nan 0.000 0.467 204 G N 1.073 109.881 108.800 0.013 0.000 3.496 204 G HA2 0.027 3.987 3.960 -0.001 0.000 0.273 204 G HA3 0.027 3.987 3.960 -0.001 0.000 0.273 204 G C 0.571 175.478 174.900 0.011 0.000 1.279 204 G CA 0.527 45.633 45.100 0.010 0.000 1.041 204 G HN 0.280 nan 8.290 nan 0.000 0.539 205 E N 0.482 120.691 120.200 0.014 0.000 4.217 205 E HA -0.357 3.993 4.350 -0.001 0.000 0.199 205 E C 0.658 177.267 176.600 0.015 0.000 1.296 205 E CA 2.111 58.521 56.400 0.016 0.000 2.222 205 E CB -1.381 28.327 29.700 0.014 0.000 1.890 205 E HN 0.538 nan 8.360 nan 0.000 0.299 206 E N 0.345 120.552 120.200 0.012 0.000 2.415 206 E HA 0.075 4.425 4.350 -0.001 0.000 0.260 206 E C 0.976 177.582 176.600 0.010 0.000 1.016 206 E CA 0.389 56.796 56.400 0.012 0.000 0.924 206 E CB 0.256 29.962 29.700 0.010 0.000 0.961 206 E HN 0.400 nan 8.360 nan 0.000 0.459 207 L N 5.210 126.441 121.223 0.012 0.000 2.395 207 L HA 0.028 4.367 4.340 -0.001 0.000 0.218 207 L C 0.758 177.631 176.870 0.005 0.000 1.130 207 L CA 1.237 56.082 54.840 0.008 0.000 0.826 207 L CB -0.810 41.256 42.059 0.011 0.000 0.941 207 L HN 0.760 nan 8.230 nan 0.000 0.451 208 K N -0.634 119.771 120.400 0.009 0.000 1.860 208 K HA -0.247 4.072 4.320 -0.001 0.000 0.320 208 K C -0.214 176.393 176.600 0.011 0.000 1.716 208 K CA 1.659 57.951 56.287 0.008 0.000 0.609 208 K CB -1.785 30.717 32.500 0.003 0.000 0.915 208 K HN 0.375 nan 8.250 nan 0.000 0.766 209 A N 1.725 124.550 122.820 0.009 0.000 2.316 209 A HA 0.581 4.901 4.320 -0.001 0.000 0.324 209 A C -2.523 175.063 177.584 0.003 0.000 1.375 209 A CA -1.201 50.844 52.037 0.014 0.000 0.882 209 A CB 0.853 19.863 19.000 0.016 0.000 1.152 209 A HN 0.283 nan 8.150 nan 0.000 0.512 210 P HA 0.250 nan 4.420 nan 0.000 0.274 210 P C -0.387 176.895 177.300 -0.029 0.000 1.237 210 P CA -0.229 62.856 63.100 -0.026 0.000 0.793 210 P CB 0.743 32.420 31.700 -0.039 0.000 0.977 211 E N 1.792 121.963 120.200 -0.049 0.000 2.145 211 E HA 0.523 4.873 4.350 -0.001 0.000 0.270 211 E C -1.196 175.346 176.600 -0.096 0.000 0.906 211 E CA -0.640 55.731 56.400 -0.049 0.000 0.761 211 E CB 0.607 30.282 29.700 -0.043 0.000 1.116 211 E HN 0.357 nan 8.360 nan 0.000 0.408 212 I N 2.801 123.297 120.570 -0.124 0.000 2.686 212 I HA 0.777 4.946 4.170 -0.001 0.000 0.295 212 I C -1.781 174.192 176.117 -0.240 0.000 1.114 212 I CA -0.500 60.640 61.300 -0.266 0.000 1.038 212 I CB 1.707 39.404 38.000 -0.504 0.000 1.238 212 I HN 0.645 nan 8.210 nan 0.000 0.420 213 A N 4.526 127.235 122.820 -0.184 0.000 2.587 213 A HA 0.899 5.219 4.320 -0.001 0.000 0.293 213 A C -1.200 176.481 177.584 0.162 0.000 1.087 213 A CA -0.166 51.909 52.037 0.064 0.000 0.692 213 A CB 1.908 20.963 19.000 0.090 0.000 1.291 213 A HN 0.910 nan 8.150 nan 0.000 0.407 214 S N 0.046 115.962 115.700 0.361 0.000 2.588 214 S HA 0.817 5.286 4.470 -0.001 0.000 0.269 214 S C -0.997 173.642 174.600 0.066 0.000 1.157 214 S CA -0.504 57.866 58.200 0.284 0.000 0.824 214 S CB 1.196 64.587 63.200 0.318 0.000 1.126 214 S HN 1.751 nan 8.310 nan 0.000 0.464 215 I N 0.704 121.123 120.570 -0.252 0.000 2.894 215 I HA 0.750 4.920 4.170 -0.001 0.000 0.302 215 I C -1.350 174.637 176.117 -0.215 0.000 1.188 215 I CA -0.188 60.850 61.300 -0.436 0.000 1.014 215 I CB 2.342 39.666 38.000 -1.127 0.000 1.242 215 I HN 0.943 nan 8.210 nan 0.000 0.430 216 T N 4.898 119.373 114.554 -0.132 0.000 2.893 216 T HA 0.344 4.694 4.350 -0.001 0.000 0.293 216 T C -0.854 173.806 174.700 -0.066 0.000 1.027 216 T CA -0.356 61.705 62.100 -0.064 0.000 0.988 216 T CB 1.576 70.487 68.868 0.072 0.000 1.043 216 T HN 0.514 nan 8.240 nan 0.000 0.461 217 V N 4.961 124.841 119.914 -0.057 0.000 2.790 217 V HA 0.353 4.473 4.120 -0.001 0.000 0.304 217 V C 1.633 177.733 176.094 0.011 0.000 1.142 217 V CA 2.667 64.956 62.300 -0.017 0.000 1.282 217 V CB 0.277 32.091 31.823 -0.015 0.000 0.877 217 V HN 1.561 nan 8.190 nan 0.000 0.504 218 G N 4.450 113.275 108.800 0.042 0.000 2.254 218 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.225 218 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.225 218 G C 0.070 175.004 174.900 0.057 0.000 1.003 218 G CA 0.321 45.452 45.100 0.051 0.000 0.622 218 G HN 1.427 nan 8.290 nan 0.000 0.507 219 N N -0.536 118.170 118.700 0.009 0.000 3.204 219 N HA 0.470 5.210 4.740 -0.001 0.000 0.285 219 N C -0.598 174.741 175.510 -0.285 0.000 1.536 219 N CA -0.892 52.116 53.050 -0.069 0.000 0.832 219 N CB 0.855 39.309 38.487 -0.055 0.000 1.645 219 N HN 0.280 nan 8.380 nan 0.000 0.586 220 K N -0.614 119.551 120.400 -0.392 0.000 2.120 220 K HA 0.200 4.519 4.320 -0.001 0.000 0.245 220 K C -0.569 175.883 176.600 -0.246 0.000 1.024 220 K CA -0.316 55.648 56.287 -0.538 0.000 0.906 220 K CB 0.325 32.587 32.500 -0.397 0.000 1.051 220 K HN 0.348 nan 8.250 nan 0.000 0.491 221 Y N 1.010 121.189 120.300 -0.203 0.000 2.480 221 Y HA 0.009 4.558 4.550 -0.001 0.000 0.338 221 Y C 0.557 176.443 175.900 -0.024 0.000 1.220 221 Y CA 0.526 58.585 58.100 -0.068 0.000 1.430 221 Y CB 0.674 39.112 38.460 -0.036 0.000 1.311 221 Y HN 0.386 nan 8.280 nan 0.000 0.575 222 R N 4.916 125.575 120.500 0.266 0.000 2.476 222 R HA 0.491 4.830 4.340 -0.001 0.000 0.305 222 R C -1.736 174.733 176.300 0.281 0.000 0.965 222 R CA -0.482 55.735 56.100 0.194 0.000 0.867 222 R CB 0.567 30.937 30.300 0.117 0.000 1.176 222 R HN 0.736 nan 8.270 nan 0.000 0.447 223 I N 5.138 125.826 120.570 0.196 0.000 2.325 223 I HA 0.183 4.352 4.170 -0.001 0.000 0.291 223 I C -0.374 175.892 176.117 0.249 0.000 1.019 223 I CA -0.804 60.618 61.300 0.203 0.000 1.302 223 I CB 0.687 38.745 38.000 0.096 0.000 1.401 223 I HN 0.530 nan 8.210 nan 0.000 0.485 224 Y N 5.261 125.575 120.300 0.023 0.000 2.526 224 Y HA -0.012 4.538 4.550 -0.001 0.000 0.330 224 Y C 0.966 176.883 175.900 0.029 0.000 1.156 224 Y CA -0.827 57.287 58.100 0.025 0.000 1.419 224 Y CB 0.070 38.531 38.460 0.001 0.000 1.250 224 Y HN 0.529 nan 8.280 nan 0.000 0.540 225 D N 2.610 123.081 120.400 0.119 0.000 2.313 225 D HA 0.020 4.659 4.640 -0.001 0.000 0.247 225 D C 0.880 177.241 176.300 0.103 0.000 1.094 225 D CA -0.448 53.602 54.000 0.083 0.000 0.925 225 D CB 1.054 41.876 40.800 0.036 0.000 1.188 225 D HN 0.741 nan 8.370 nan 0.000 0.430 226 Q N 0.531 120.376 119.800 0.075 0.000 2.124 226 Q HA -0.329 4.010 4.340 -0.001 0.000 0.215 226 Q C 1.249 177.297 176.000 0.080 0.000 1.015 226 Q CA 2.411 58.255 55.803 0.070 0.000 0.890 226 Q CB 0.073 28.838 28.738 0.045 0.000 0.966 226 Q HN 0.527 nan 8.270 nan 0.000 0.412 227 E N 0.337 120.575 120.200 0.064 0.000 2.072 227 E HA -0.173 4.176 4.350 -0.001 0.000 0.191 227 E C 1.710 178.363 176.600 0.089 0.000 0.985 227 E CA 1.407 57.841 56.400 0.056 0.000 0.801 227 E CB -0.212 29.504 29.700 0.028 0.000 0.750 227 E HN 0.506 nan 8.360 nan 0.000 0.452 228 E N 0.334 120.603 120.200 0.115 0.000 2.058 228 E HA -0.198 4.151 4.350 -0.001 0.000 0.194 228 E C 2.054 178.916 176.600 0.438 0.000 0.997 228 E CA 1.346 57.867 56.400 0.201 0.000 0.801 228 E CB -0.064 29.703 29.700 0.112 0.000 0.746 228 E HN 0.162 nan 8.360 nan 0.000 0.450 229 V N 0.999 121.143 119.914 0.383 0.000 2.358 229 V HA -0.229 3.890 4.120 -0.001 0.000 0.246 229 V C 2.322 178.609 176.094 0.323 0.000 1.047 229 V CA 2.343 64.876 62.300 0.390 0.000 1.035 229 V CB -0.392 31.549 31.823 0.197 0.000 0.658 229 V HN 0.252 nan 8.190 nan 0.000 0.452 230 K N -0.118 120.394 120.400 0.187 0.000 2.281 230 K HA -0.254 4.066 4.320 -0.001 0.000 0.203 230 K C 2.220 178.868 176.600 0.081 0.000 1.046 230 K CA 1.789 58.143 56.287 0.111 0.000 0.938 230 K CB -0.199 32.341 32.500 0.066 0.000 0.737 230 K HN 0.550 nan 8.250 nan 0.000 0.458 231 K N -0.354 120.087 120.400 0.068 0.000 2.097 231 K HA -0.116 4.204 4.320 -0.001 0.000 0.205 231 K C 1.323 177.774 176.600 -0.247 0.000 1.050 231 K CA 1.286 57.491 56.287 -0.137 0.000 0.938 231 K CB 0.010 32.343 32.500 -0.279 0.000 0.718 231 K HN 0.080 nan 8.250 nan 0.000 0.442 232 F N 0.598 120.569 119.950 0.036 0.000 2.569 232 F HA 0.101 4.628 4.527 -0.001 0.000 0.295 232 F C 1.077 176.884 175.800 0.011 0.000 1.115 232 F CA -0.504 57.510 58.000 0.023 0.000 1.450 232 F CB -0.197 38.820 39.000 0.028 0.000 1.107 232 F HN -0.005 nan 8.300 nan 0.000 0.563 233 L N 0.000 121.336 121.223 0.188 0.000 2.949 233 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 233 L CA 0.000 54.903 54.840 0.105 0.000 0.813 233 L CB 0.000 42.111 42.059 0.087 0.000 0.961 233 L HN 0.000 nan 8.230 nan 0.000 0.502