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_O 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 -0.357 0.000 0.836 7 A CB 0.000 18.676 19.000 -0.540 0.000 0.831 8 Y N 1.999 122.262 120.300 -0.062 0.000 2.457 8 Y HA 0.203 4.752 4.550 -0.001 0.000 0.263 8 Y C 1.043 176.853 175.900 -0.150 0.000 1.164 8 Y CA 0.492 58.567 58.100 -0.042 0.000 1.274 8 Y CB 0.615 39.105 38.460 0.051 0.000 1.097 8 Y HN 0.488 nan 8.280 nan 0.000 0.523 9 D N -1.227 119.108 120.400 -0.109 0.000 2.593 9 D HA 0.091 4.730 4.640 -0.001 0.000 0.241 9 D C 1.168 177.579 176.300 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 40.885 40.800 -0.155 0.000 1.049 9 D HN 0.071 nan 8.370 nan 0.000 0.490 10 R N 0.179 120.740 120.500 0.102 0.000 2.307 10 R HA 0.458 4.798 4.340 -0.001 0.000 0.200 10 R C 0.398 176.762 176.300 0.107 0.000 0.893 10 R CA 0.110 56.266 56.100 0.093 0.000 1.042 10 R CB 0.794 31.105 30.300 0.019 0.000 1.059 10 R HN 0.205 nan 8.270 nan 0.000 0.530 11 A N 0.647 123.529 122.820 0.104 0.000 2.393 11 A HA 0.479 4.799 4.320 -0.001 0.000 0.306 11 A C 0.255 177.881 177.584 0.071 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 1.545 122.141 120.570 0.044 0.000 3.251 12 I HA 0.006 4.175 4.170 -0.001 0.000 0.277 12 I C 1.173 177.265 176.117 -0.041 0.000 1.268 12 I CA 1.126 62.427 61.300 0.002 0.000 1.449 12 I CB -0.041 37.959 38.000 0.001 0.000 1.083 12 I HN 0.627 nan 8.210 nan 0.000 0.464 13 T N -0.325 114.211 114.554 -0.030 0.000 2.814 13 T HA 0.552 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 61.605 62.100 -0.069 0.000 1.123 13 T CB 0.715 69.563 68.868 -0.035 0.000 0.902 13 T HN 0.068 nan 8.240 nan 0.000 0.528 14 V N 2.484 122.272 119.914 -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 -1.089 61.136 62.300 -0.126 0.000 1.956 14 V CB -1.347 30.476 31.823 0.000 0.000 2.454 14 V HN 0.896 nan 8.190 nan 0.000 0.485 15 F N 3.702 123.648 119.950 -0.006 0.000 2.399 15 F HA 0.606 5.133 4.527 -0.001 0.000 0.342 15 F C 1.225 177.021 175.800 -0.006 0.000 1.106 15 F CA 0.631 58.606 58.000 -0.041 0.000 1.196 15 F CB 1.633 40.601 39.000 -0.055 0.000 1.163 15 F HN 0.715 nan 8.300 nan 0.000 0.547 16 S N 2.647 118.441 115.700 0.157 0.000 2.632 16 S HA 0.311 4.780 4.470 -0.001 0.000 0.267 16 S C -2.030 172.550 174.600 -0.033 0.000 1.276 16 S CA -1.212 57.048 58.200 0.099 0.000 0.998 16 S CB 1.123 64.404 63.200 0.137 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 0.392 177.617 177.300 -0.126 0.000 1.142 17 P CA 1.099 64.084 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 -2.982 117.354 120.400 -0.107 0.000 2.395 18 D HA 0.151 4.791 4.640 -0.001 0.000 0.213 18 D C 0.904 177.145 176.300 -0.099 0.000 1.110 18 D CA 0.100 54.047 54.000 -0.087 0.000 0.835 18 D CB -0.225 40.540 40.800 -0.058 0.000 0.965 18 D HN 0.100 nan 8.370 nan 0.000 0.505 19 G N 1.369 110.113 108.800 -0.095 0.000 2.248 19 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.263 19 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.263 19 G C -0.217 174.672 174.900 -0.019 0.000 1.082 19 G CA -0.406 44.637 45.100 -0.095 0.000 0.863 19 G HN 0.384 nan 8.290 nan 0.000 0.495 20 R N -1.056 119.403 120.500 -0.068 0.000 2.673 20 R HA 0.553 4.892 4.340 -0.001 0.000 0.281 20 R C -0.470 175.633 176.300 -0.327 0.000 0.991 20 R CA -1.156 54.798 56.100 -0.242 0.000 0.896 20 R CB 1.246 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 4.081 125.130 121.223 -0.291 0.000 2.358 21 L HA 0.195 4.535 4.340 -0.001 0.000 0.274 21 L C 0.735 177.400 176.870 -0.341 0.000 1.136 21 L CA 0.102 54.763 54.840 -0.298 0.000 0.970 21 L CB -0.718 41.189 42.059 -0.253 0.000 1.314 21 L HN 0.721 nan 8.230 nan 0.000 0.427 22 F N 0.403 120.208 119.950 -0.242 0.000 2.154 22 F HA -0.256 4.270 4.527 -0.001 0.000 0.301 22 F C 2.346 177.688 175.800 -0.764 0.000 1.087 22 F CA 1.360 59.057 58.000 -0.505 0.000 1.274 22 F CB -0.151 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 -0.089 119.545 119.800 -0.276 0.000 2.096 23 Q HA -0.173 4.166 4.340 -0.001 0.000 0.204 23 Q C 2.684 178.623 176.000 -0.102 0.000 0.982 23 Q CA 1.408 57.110 55.803 -0.169 0.000 0.850 23 Q CB -1.106 27.603 28.738 -0.049 0.000 0.901 23 Q HN 0.361 nan 8.270 nan 0.000 0.422 24 V N 1.297 121.145 119.914 -0.110 0.000 2.515 24 V HA -0.207 3.913 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 1.540 63.809 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 -0.194 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 1.540 57.946 56.400 0.010 0.000 0.802 25 E CB -0.666 29.033 29.700 -0.002 0.000 0.759 25 E HN 0.671 nan 8.360 nan 0.000 0.447 26 Y N 1.124 121.487 120.300 0.105 0.000 2.193 26 Y HA -0.175 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 58.637 58.100 0.078 0.000 1.181 26 Y CB -1.444 37.061 38.460 0.074 0.000 0.976 26 Y HN 0.036 nan 8.280 nan 0.000 0.520 27 A N 0.494 123.433 122.820 0.198 0.000 1.858 27 A HA -0.229 4.090 4.320 -0.001 0.000 0.216 27 A C 2.394 180.035 177.584 0.096 0.000 1.190 27 A CA 1.783 53.890 52.037 0.116 0.000 0.617 27 A CB -0.713 18.333 19.000 0.076 0.000 0.827 27 A HN 0.415 nan 8.150 nan 0.000 0.443 28 R N -0.400 120.153 120.500 0.090 0.000 2.133 28 R HA -0.175 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 -0.216 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 1.632 58.081 56.400 0.081 0.000 0.809 29 E CB -0.466 29.292 29.700 0.096 0.000 0.749 29 E HN 0.395 nan 8.360 nan 0.000 0.450 30 A N 1.228 124.082 122.820 0.057 0.000 1.948 30 A HA -0.207 4.112 4.320 -0.001 0.000 0.220 30 A C 2.559 180.159 177.584 0.027 0.000 1.177 30 A CA 2.424 54.483 52.037 0.037 0.000 0.636 30 A CB -0.939 18.085 19.000 0.041 0.000 0.815 30 A HN 0.248 nan 8.150 nan 0.000 0.449 31 V N -2.032 117.899 119.914 0.030 0.000 2.548 31 V HA -0.176 3.944 4.120 -0.001 0.000 0.249 31 V C 1.965 178.065 176.094 0.009 0.000 1.055 31 V CA 2.319 64.628 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 -0.106 4.213 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 1.907 58.201 56.287 0.013 0.000 0.930 32 K CB -0.269 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 0.754 121.159 120.400 0.009 0.000 2.569 33 K HA 0.028 4.347 4.320 -0.001 0.000 0.193 33 K C 0.757 177.356 176.600 -0.001 0.000 1.026 33 K CA -0.022 56.268 56.287 0.004 0.000 1.093 33 K CB 0.360 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 0.257 109.054 108.800 -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 -0.448 174.441 174.900 -0.017 0.000 1.190 34 G CA -0.586 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 -1.545 114.141 115.700 -0.023 0.000 2.587 35 S HA 0.326 4.795 4.470 -0.001 0.000 0.260 35 S C 0.633 175.212 174.600 -0.035 0.000 1.353 35 S CA 0.215 58.398 58.200 -0.027 0.000 0.995 35 S CB 0.655 63.837 63.200 -0.030 0.000 0.912 35 S HN 0.740 nan 8.310 nan 0.000 0.568 36 T N 1.119 115.650 114.554 -0.038 0.000 2.829 36 T HA 0.696 5.045 4.350 -0.001 0.000 0.282 36 T C -0.640 174.023 174.700 -0.062 0.000 0.990 36 T CA -0.011 62.061 62.100 -0.047 0.000 1.028 36 T CB 0.602 69.446 68.868 -0.039 0.000 0.951 36 T HN 0.949 nan 8.240 nan 0.000 0.460 37 A N 3.897 126.670 122.820 -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 -1.916 119.239 121.223 -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 54.415 54.840 -0.129 0.000 0.920 38 L CB 1.548 43.530 42.059 -0.129 0.000 1.529 38 L HN 1.643 nan 8.230 nan 0.000 0.399 39 G N 0.252 108.982 108.800 -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 44.702 45.100 -0.075 0.000 0.798 39 G HN 1.181 nan 8.290 nan 0.000 0.488 40 M N -0.913 118.678 119.600 -0.014 0.000 2.605 40 M HA 0.579 5.059 4.480 -0.001 0.000 0.281 40 M C -1.617 174.717 176.300 0.058 0.000 1.166 40 M CA -1.075 54.224 55.300 -0.002 0.000 0.875 40 M CB 1.891 34.530 32.600 0.066 0.000 1.732 40 M HN 0.333 nan 8.290 nan 0.000 0.504 41 K N 1.433 121.852 120.400 0.031 0.000 2.154 41 K HA 0.730 5.050 4.320 -0.001 0.000 0.264 41 K C -1.053 175.638 176.600 0.151 0.000 1.008 41 K CA -0.230 56.034 56.287 -0.038 0.000 0.937 41 K CB 0.859 33.338 32.500 -0.035 0.000 1.002 41 K HN 0.571 nan 8.250 nan 0.000 0.469 42 F N -1.173 118.826 119.950 0.081 0.000 3.205 42 F HA 0.607 5.133 4.527 -0.001 0.000 0.336 42 F C 1.161 176.982 175.800 0.034 0.000 1.255 42 F CA -0.725 57.315 58.000 0.066 0.000 0.998 42 F CB -0.337 38.689 39.000 0.043 0.000 1.531 42 F HN 0.493 nan 8.300 nan 0.000 0.521 43 A N 0.785 123.996 122.820 0.652 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 0.173 0.000 1.793 43 A CA 2.856 55.116 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 -1.817 116.971 118.700 0.146 0.000 2.547 44 N HA 0.428 5.167 4.740 -0.001 0.000 0.285 44 N C -0.149 175.264 175.510 -0.162 0.000 1.600 44 N CA 0.284 53.328 53.050 -0.010 0.000 0.872 44 N CB 0.692 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 -0.181 119.197 119.914 -0.893 0.000 3.120 46 V HA 0.830 4.950 4.120 -0.001 0.000 0.303 46 V C -1.519 174.506 176.094 -0.115 0.000 1.238 46 V CA -0.430 61.556 62.300 -0.524 0.000 1.008 46 V CB 1.875 33.559 31.823 -0.232 0.000 1.064 46 V HN 1.482 nan 8.190 nan 0.000 0.434 47 L N 3.661 124.956 121.223 0.120 0.000 2.350 47 L HA 0.939 5.278 4.340 -0.001 0.000 0.260 47 L C -1.937 174.980 176.870 0.079 0.000 1.015 47 L CA -0.798 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 2.753 124.003 121.223 0.045 0.000 2.381 48 L HA 0.777 5.116 4.340 -0.001 0.000 0.268 48 L C -1.128 175.687 176.870 -0.092 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 4.824 4.170 -0.001 0.000 0.289 49 I C -1.401 174.651 176.117 -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 4.723 120.364 115.700 -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 -0.066 0.000 1.089 50 S CA -0.600 57.551 58.200 -0.081 0.000 0.961 50 S CB 1.215 64.370 63.200 -0.076 0.000 1.062 50 S HN 0.696 nan 8.310 nan 0.000 0.483 51 D N 2.557 122.923 120.400 -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 0.516 41.295 40.800 -0.036 0.000 1.076 51 D HN 0.455 nan 8.370 nan 0.000 0.483 52 K N 4.092 124.476 120.400 -0.027 0.000 2.184 52 K HA 0.134 4.453 4.320 -0.001 0.000 0.259 52 K C -0.277 176.315 176.600 -0.013 0.000 1.119 52 K CA -0.468 55.807 56.287 -0.020 0.000 0.991 52 K CB 0.112 32.602 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 4.461 4.320 -0.001 0.000 0.287 53 K C -0.528 176.068 176.600 -0.007 0.000 1.081 53 K CA -0.372 55.910 56.287 -0.009 0.000 0.910 53 K CB 1.646 34.141 32.500 -0.009 0.000 1.088 53 K HN 0.195 nan 8.250 nan 0.000 0.478 54 V N 3.222 123.134 119.914 -0.004 0.000 2.850 54 V HA 0.388 4.507 4.120 -0.001 0.000 0.315 54 V C 0.389 176.482 176.094 -0.001 0.000 1.064 54 V CA -0.317 61.982 62.300 -0.002 0.000 0.979 54 V CB 1.761 33.584 31.823 -0.001 0.000 1.039 54 V HN 0.798 nan 8.190 nan 0.000 0.452 55 R N 2.476 122.975 120.500 -0.001 0.000 1.747 55 R HA 0.429 4.768 4.340 -0.001 0.000 0.136 55 R C 1.025 177.325 176.300 0.001 0.000 2.116 55 R CA 1.007 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 0.221 115.922 115.700 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 58.097 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 1.853 122.354 120.500 0.002 0.000 2.193 57 R HA 0.049 4.388 4.340 -0.001 0.000 0.213 57 R C 1.320 177.622 176.300 0.002 0.000 1.055 57 R CA 0.544 56.645 56.100 0.002 0.000 0.995 57 R CB -0.328 29.973 30.300 0.002 0.000 0.893 57 R HN 0.443 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 4.372 4.340 -0.001 0.000 0.228 58 L C 0.690 177.561 176.870 0.002 0.000 1.153 58 L CA 0.787 55.628 54.840 0.002 0.000 0.851 58 L CB -0.310 41.750 42.059 0.001 0.000 0.959 58 L HN 0.070 nan 8.230 nan 0.000 0.451 59 I N -0.001 120.570 120.570 0.001 0.000 2.581 59 I HA 0.034 4.204 4.170 -0.001 0.000 0.288 59 I C 1.161 177.279 176.117 0.002 0.000 1.047 59 I CA -0.090 61.211 61.300 0.001 0.000 1.374 59 I CB 0.669 38.669 38.000 0.000 0.000 1.423 59 I HN 0.074 nan 8.210 nan 0.000 0.549 60 E N 5.052 125.253 120.200 0.002 0.000 2.545 60 E HA 0.005 4.354 4.350 -0.001 0.000 0.271 60 E C 0.810 177.412 176.600 0.002 0.000 1.508 60 E CA -0.166 56.235 56.400 0.002 0.000 1.774 60 E CB -0.152 29.549 29.700 0.002 0.000 1.460 60 E HN 0.585 nan 8.360 nan 0.000 0.449 61 Q N -0.129 119.672 119.800 0.003 0.000 2.375 61 Q HA -0.433 3.906 4.340 -0.001 0.000 0.443 61 Q C 1.258 177.260 176.000 0.002 0.000 0.608 61 Q CA 2.039 57.844 55.803 0.003 0.000 0.954 61 Q CB -1.353 27.389 28.738 0.006 0.000 2.600 61 Q HN 0.371 nan 8.270 nan 0.000 0.974 62 N N 0.674 119.376 118.700 0.004 0.000 2.144 62 N HA -0.250 4.490 4.740 -0.001 0.000 0.195 62 N C 1.300 176.810 175.510 -0.001 0.000 1.006 62 N CA 2.432 55.484 53.050 0.003 0.000 0.880 62 N CB -0.452 38.040 38.487 0.007 0.000 1.018 62 N HN 0.539 nan 8.380 nan 0.000 0.443 63 S N 0.665 116.365 115.700 -0.000 0.000 2.423 63 S HA -0.133 4.337 4.470 -0.001 0.000 0.238 63 S C 1.411 176.008 174.600 -0.005 0.000 1.028 63 S CA 0.705 58.904 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 0.526 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 61.064 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 3.836 124.026 120.200 -0.017 0.000 2.299 65 E HA 0.028 4.378 4.350 -0.001 0.000 0.272 65 E C 0.414 176.993 176.600 -0.034 0.000 1.043 65 E CA 0.160 56.545 56.400 -0.025 0.000 0.895 65 E CB 1.147 30.832 29.700 -0.024 0.000 1.011 65 E HN 0.554 nan 8.360 nan 0.000 0.432 66 K N 2.072 122.447 120.400 -0.043 0.000 2.242 66 K HA 0.219 4.538 4.320 -0.001 0.000 0.200 66 K C 0.777 177.334 176.600 -0.073 0.000 1.050 66 K CA 0.335 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 2.622 123.145 120.570 -0.079 0.000 2.312 67 I HA 0.059 4.228 4.170 -0.001 0.000 0.291 67 I C -0.379 175.675 176.117 -0.107 0.000 1.031 67 I CA -0.121 61.115 61.300 -0.106 0.000 1.293 67 I CB 1.022 38.955 38.000 -0.112 0.000 1.403 67 I HN 0.118 nan 8.210 nan 0.000 0.484 68 Q N 5.974 125.707 119.800 -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 -0.887 54.862 55.803 -0.091 0.000 0.835 68 Q CB 3.153 31.858 28.738 -0.055 0.000 1.339 68 Q HN 0.547 nan 8.270 nan 0.000 0.447 69 L N 2.679 123.843 121.223 -0.098 0.000 2.350 69 L HA 0.276 4.616 4.340 -0.001 0.000 0.275 69 L C 0.732 177.591 176.870 -0.018 0.000 1.099 69 L CA 0.075 54.858 54.840 -0.095 0.000 0.808 69 L CB 0.746 42.757 42.059 -0.080 0.000 1.149 69 L HN 0.704 nan 8.230 nan 0.000 0.442 70 I N 0.560 121.142 120.570 0.020 0.000 3.339 70 I HA 0.123 4.293 4.170 -0.001 0.000 0.285 70 I C -0.129 176.020 176.117 0.054 0.000 1.201 70 I CA 0.348 61.680 61.300 0.052 0.000 1.434 70 I CB 0.474 38.532 38.000 0.096 0.000 1.152 70 I HN 0.692 nan 8.210 nan 0.000 0.443 71 D N -1.279 119.171 120.400 0.083 0.000 2.728 71 D HA -0.003 4.637 4.640 -0.001 0.000 0.249 71 D C -0.248 176.164 176.300 0.187 0.000 1.225 71 D CA -0.472 53.601 54.000 0.121 0.000 0.748 71 D CB 0.710 41.584 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 0.453 176.843 176.300 0.151 0.000 0.988 72 D CA 1.477 55.585 54.000 0.180 0.000 0.912 72 D CB -0.000 40.892 40.800 0.154 0.000 0.899 72 D HN 0.432 nan 8.370 nan 0.000 0.477 73 Y N -1.044 119.365 120.300 0.181 0.000 2.500 73 Y HA 0.335 4.885 4.550 -0.001 0.000 0.246 73 Y C 0.272 176.345 175.900 0.288 0.000 1.146 73 Y CA -0.439 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 0.310 120.494 119.914 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 61.921 62.300 0.384 0.000 0.906 74 V CB 1.189 33.164 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 -0.349 177.234 177.584 -0.001 0.000 1.147 75 A CA -0.207 51.735 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 2.375 nan 8.150 nan 0.000 0.427 76 A N -0.631 122.141 122.820 -0.081 0.000 2.572 76 A HA 0.746 5.065 4.320 -0.001 0.000 0.295 76 A C -1.489 175.975 177.584 -0.200 0.000 1.072 76 A CA -0.331 51.598 52.037 -0.179 0.000 0.691 76 A CB 1.367 20.174 19.000 -0.323 0.000 1.291 76 A HN 2.118 nan 8.150 nan 0.000 0.404 77 V N 0.468 120.239 119.914 -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 0.257 62.448 62.300 -0.181 0.000 0.921 77 V CB 2.103 33.841 31.823 -0.141 0.000 1.009 77 V HN 1.316 nan 8.190 nan 0.000 0.426 78 T N 3.538 118.002 114.554 -0.152 0.000 2.930 78 T HA 0.720 5.070 4.350 -0.001 0.000 0.290 78 T C -1.111 173.536 174.700 -0.089 0.000 1.052 78 T CA -0.181 61.840 62.100 -0.133 0.000 1.017 78 T CB 1.716 70.515 68.868 -0.115 0.000 1.137 78 T HN 1.034 nan 8.240 nan 0.000 0.511 79 S N 0.763 116.421 115.700 -0.070 0.000 2.603 79 S HA 0.759 5.228 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 0.544 58.716 58.200 -0.047 0.000 0.963 79 S CB 0.630 63.800 63.200 -0.051 0.000 1.078 79 S HN 1.547 nan 8.310 nan 0.000 0.477 80 G N 3.100 111.892 108.800 -0.013 0.000 2.260 80 G HA2 0.081 4.040 3.960 -0.001 0.000 0.250 80 G HA3 0.081 4.040 3.960 -0.001 0.000 0.250 80 G C -1.752 173.152 174.900 0.006 0.000 1.340 80 G CA -0.939 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 2.432 179.311 176.870 0.016 0.000 1.157 81 L CA 0.948 55.798 54.840 0.017 0.000 0.928 81 L CB 0.212 42.284 42.059 0.023 0.000 1.216 81 L HN 0.810 nan 8.230 nan 0.000 0.481 82 V N 6.007 125.926 119.914 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 64.760 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 -0.381 122.450 122.820 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 2.488 54.542 52.037 0.028 0.000 0.629 83 A CB -1.243 17.771 19.000 0.023 0.000 0.830 83 A HN 0.673 nan 8.150 nan 0.000 0.446 84 D N -0.193 120.244 120.400 0.061 0.000 2.133 84 D HA -0.072 4.567 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 1.646 55.719 54.000 0.122 0.000 0.840 84 D CB -0.366 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 0.584 123.429 122.820 0.041 0.000 1.877 85 A HA -0.209 4.111 4.320 -0.001 0.000 0.216 85 A C 2.143 179.732 177.584 0.008 0.000 1.186 85 A CA 1.765 53.806 52.037 0.006 0.000 0.620 85 A CB -0.550 18.443 19.000 -0.011 0.000 0.822 85 A HN 0.150 nan 8.150 nan 0.000 0.443 86 R N -0.428 120.083 120.500 0.018 0.000 2.103 86 R HA -0.145 4.194 4.340 -0.001 0.000 0.234 86 R C 2.107 178.431 176.300 0.039 0.000 1.132 86 R CA 2.177 58.291 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 0.972 120.918 119.914 0.054 0.000 2.380 87 V HA -0.213 3.906 4.120 -0.001 0.000 0.251 87 V C 2.119 178.249 176.094 0.060 0.000 1.063 87 V CA 1.945 64.289 62.300 0.073 0.000 1.055 87 V CB -0.342 31.543 31.823 0.104 0.000 0.657 87 V HN 0.420 nan 8.190 nan 0.000 0.455 88 L N -0.623 120.595 121.223 -0.008 0.000 2.217 88 L HA -0.013 4.326 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 1.774 56.568 54.840 -0.078 0.000 0.783 88 L CB -0.349 41.580 42.059 -0.216 0.000 0.919 88 L HN 0.232 nan 8.230 nan 0.000 0.442 89 V N -0.734 119.222 119.914 0.071 0.000 2.244 89 V HA -0.263 3.857 4.120 -0.001 0.000 0.244 89 V C 2.177 178.330 176.094 0.098 0.000 1.042 89 V CA 1.876 64.231 62.300 0.091 0.000 1.006 89 V CB -0.556 31.293 31.823 0.042 0.000 0.641 89 V HN 0.387 nan 8.190 nan 0.000 0.446 90 D N -0.507 119.942 120.400 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 1.444 55.483 54.000 0.065 0.000 0.846 90 D CB -0.265 40.573 40.800 0.062 0.000 0.941 90 D HN 0.454 nan 8.370 nan 0.000 0.456 91 F N 1.710 121.654 119.950 -0.010 0.000 2.069 91 F HA -0.221 4.306 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 1.862 59.851 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 0.582 123.402 122.820 -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 1.786 53.765 52.037 -0.097 0.000 0.631 92 A CB -0.798 18.262 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 -0.160 4.179 4.340 -0.001 0.000 0.234 93 R C 2.299 178.535 176.300 -0.105 0.000 1.136 93 R CA 1.956 58.023 56.100 -0.056 0.000 0.935 93 R CB -0.704 29.586 30.300 -0.017 0.000 0.842 93 R HN 0.820 nan 8.270 nan 0.000 0.430 94 I N -1.859 118.623 120.570 -0.147 0.000 2.315 94 I HA -0.164 4.005 4.170 -0.001 0.000 0.248 94 I C 2.314 178.296 176.117 -0.225 0.000 1.117 94 I CA 1.742 62.949 61.300 -0.154 0.000 1.404 94 I CB -0.376 37.542 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 -0.131 4.338 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 1.419 59.371 58.200 -0.413 0.000 1.002 95 S CB -0.470 62.328 63.200 -0.671 0.000 0.829 95 S HN 0.710 nan 8.310 nan 0.000 0.467 96 A N 1.260 123.971 122.820 -0.181 0.000 1.858 96 A HA -0.095 4.225 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 1.509 53.479 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 0.529 nan 8.150 nan 0.000 0.443 97 Q N -0.074 119.683 119.800 -0.071 0.000 2.112 97 Q HA -0.261 4.078 4.340 -0.001 0.000 0.206 97 Q C 2.178 178.154 176.000 -0.040 0.000 0.987 97 Q CA 2.049 57.825 55.803 -0.046 0.000 0.858 97 Q CB -0.638 28.073 28.738 -0.044 0.000 0.905 97 Q HN 0.826 nan 8.270 nan 0.000 0.420 98 Q N 0.267 120.032 119.800 -0.060 0.000 2.045 98 Q HA -0.226 4.114 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 1.657 57.437 55.803 -0.039 0.000 0.851 98 Q CB -0.196 28.505 28.738 -0.061 0.000 0.911 98 Q HN 0.488 nan 8.270 nan 0.000 0.418 99 E N 0.891 121.096 120.200 0.009 0.000 2.110 99 E HA -0.204 4.145 4.350 -0.001 0.000 0.193 99 E C 1.721 178.383 176.600 0.104 0.000 0.988 99 E CA 1.082 57.533 56.400 0.086 0.000 0.804 99 E CB 0.176 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 -0.120 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 1.348 57.648 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 0.089 nan 8.250 nan 0.000 0.439 101 V N 1.475 121.395 119.914 0.010 0.000 2.759 101 V HA -0.212 3.907 4.120 -0.001 0.000 0.256 101 V C 2.428 178.506 176.094 -0.026 0.000 1.080 101 V CA 2.387 64.682 62.300 -0.008 0.000 1.101 101 V CB -0.253 31.559 31.823 -0.017 0.000 0.698 101 V HN 0.583 nan 8.190 nan 0.000 0.477 102 T N -2.327 112.211 114.554 -0.026 0.000 2.925 102 T HA -0.097 4.252 4.350 -0.001 0.000 0.245 102 T C 1.712 176.289 174.700 -0.204 0.000 1.025 102 T CA 1.323 63.336 62.100 -0.145 0.000 1.149 102 T CB -0.464 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 1.244 121.524 120.300 -0.034 0.000 2.517 103 Y HA 0.386 4.936 4.550 -0.000 0.000 0.281 103 Y C 2.283 178.163 175.900 -0.034 0.000 1.125 103 Y CA 0.293 58.373 58.100 -0.033 0.000 1.283 103 Y CB -0.037 38.401 38.460 -0.037 0.000 1.042 103 Y HN 0.545 nan 8.280 nan 0.000 0.547 104 G N -0.270 108.590 108.800 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 0.247 175.163 174.900 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 -1.169 114.555 115.700 0.039 0.000 2.570 105 S HA 0.471 4.940 4.470 -0.001 0.000 0.286 105 S C -1.019 173.554 174.600 -0.044 0.000 1.143 105 S CA -0.248 57.940 58.200 -0.021 0.000 0.921 105 S CB 1.052 64.228 63.200 -0.038 0.000 1.108 105 S HN 1.545 nan 8.310 nan 0.000 0.456 106 L N 7.276 128.455 121.223 -0.073 0.000 2.415 106 L HA 0.411 4.750 4.340 -0.001 0.000 0.269 106 L C 1.189 177.997 176.870 -0.102 0.000 1.244 106 L CA 0.549 55.335 54.840 -0.090 0.000 1.113 106 L CB -0.041 41.972 42.059 -0.077 0.000 1.352 106 L HN 0.693 nan 8.230 nan 0.000 0.433 107 V N 4.277 124.121 119.914 -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 1.348 63.587 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 0.061 118.698 118.700 -0.106 0.000 2.479 108 N HA 0.224 4.964 4.740 -0.001 0.000 0.261 108 N C 0.438 175.893 175.510 -0.093 0.000 0.979 108 N CA -0.134 52.869 53.050 -0.079 0.000 0.930 108 N CB 1.383 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 2.721 123.265 120.570 -0.044 0.000 2.394 109 I HA -0.169 4.001 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 1.285 62.545 61.300 -0.066 0.000 1.425 109 I CB 0.167 38.204 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 1.778 57.830 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 2.155 177.517 175.510 -0.248 0.000 1.024 111 N CA 1.134 54.048 53.050 -0.226 0.000 0.852 111 N CB -0.146 38.233 38.487 -0.180 0.000 1.003 111 N HN 0.215 nan 8.380 nan 0.000 0.424 112 L N 1.246 122.303 121.223 -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 1.443 56.102 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 0.001 nan 8.230 nan 0.000 0.431 113 V N -0.491 119.070 119.914 -0.588 0.000 2.343 113 V HA -0.304 3.816 4.120 -0.001 0.000 0.247 113 V C 2.670 178.561 176.094 -0.337 0.000 1.051 113 V CA 2.170 64.064 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 0.614 nan 8.190 nan 0.000 0.451 114 K N -0.456 119.770 120.400 -0.290 0.000 2.044 114 K HA -0.268 4.052 4.320 -0.001 0.000 0.210 114 K C 2.410 178.964 176.600 -0.077 0.000 1.049 114 K CA 2.208 58.401 56.287 -0.157 0.000 0.927 114 K CB -0.327 32.087 32.500 -0.143 0.000 0.713 114 K HN 0.440 nan 8.250 nan 0.000 0.443 115 R N 0.756 121.215 120.500 -0.068 0.000 2.080 115 R HA -0.137 4.202 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 1.489 57.618 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 0.096 nan 8.270 nan 0.000 0.431 116 V N 0.781 120.779 119.914 0.140 0.000 2.490 116 V HA -0.191 3.928 4.120 -0.001 0.000 0.250 116 V C 2.136 178.230 176.094 -0.001 0.000 1.061 116 V CA 2.081 64.483 62.300 0.171 0.000 1.064 116 V CB -0.369 31.552 31.823 0.164 0.000 0.670 116 V HN 0.546 nan 8.190 nan 0.000 0.461 117 A N -0.351 122.468 122.820 -0.000 0.000 1.877 117 A HA -0.227 4.092 4.320 -0.001 0.000 0.216 117 A C 1.958 179.548 177.584 0.010 0.000 1.186 117 A CA 1.981 54.023 52.037 0.009 0.000 0.620 117 A CB -0.808 18.198 19.000 0.010 0.000 0.822 117 A HN 0.603 nan 8.150 nan 0.000 0.443 118 D N -0.694 119.716 120.400 0.017 0.000 2.149 118 D HA -0.149 4.490 4.640 -0.001 0.000 0.198 118 D C 2.075 178.403 176.300 0.047 0.000 0.990 118 D CA 1.120 55.144 54.000 0.041 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 0.021 119.804 119.800 -0.029 0.000 2.045 119 Q HA -0.121 4.219 4.340 -0.001 0.000 0.206 119 Q C 2.270 178.298 176.000 0.047 0.000 0.991 119 Q CA 1.194 56.931 55.803 -0.110 0.000 0.851 119 Q CB -0.274 28.128 28.738 -0.562 0.000 0.911 119 Q HN 0.394 nan 8.270 nan 0.000 0.418 120 M N 0.001 119.577 119.600 -0.040 0.000 2.175 120 M HA -0.173 4.307 4.480 -0.001 0.000 0.264 120 M C 2.185 178.598 176.300 0.189 0.000 1.063 120 M CA 1.309 56.658 55.300 0.081 0.000 1.119 120 M CB -0.348 32.248 32.600 -0.007 0.000 1.377 120 M HN 0.094 nan 8.290 nan 0.000 0.415 121 Q N 1.085 120.962 119.800 0.128 0.000 2.170 121 Q HA -0.206 4.134 4.340 -0.001 0.000 0.203 121 Q C 1.748 177.838 176.000 0.149 0.000 0.976 121 Q CA 1.737 57.607 55.803 0.112 0.000 0.858 121 Q CB -0.189 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 -0.820 119.122 119.800 0.236 0.000 2.061 122 Q HA -0.178 4.161 4.340 -0.001 0.000 0.204 122 Q C 1.584 177.735 176.000 0.252 0.000 0.984 122 Q CA 1.527 57.499 55.803 0.281 0.000 0.846 122 Q CB -0.148 28.770 28.738 0.301 0.000 0.902 122 Q HN 0.480 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 2.157 178.060 175.900 0.005 0.000 1.166 123 Y CA 0.799 58.939 58.100 0.067 0.000 1.344 123 Y CB -0.259 38.210 38.460 0.014 0.000 1.002 123 Y HN 0.052 nan 8.280 nan 0.000 0.537 124 T N -0.426 114.202 114.554 0.123 0.000 3.023 124 T HA -0.131 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 1.557 63.659 62.100 0.004 0.000 1.129 124 T CB -0.021 68.847 68.868 -0.000 0.000 0.899 124 T HN 0.635 nan 8.240 nan 0.000 0.491 125 Q N -1.335 118.373 119.800 -0.154 0.000 2.215 125 Q HA 0.129 4.468 4.340 -0.001 0.000 0.257 125 Q C 0.119 175.916 176.000 -0.339 0.000 0.792 125 Q CA -0.177 55.454 55.803 -0.286 0.000 0.958 125 Q CB -0.125 28.396 28.738 -0.362 0.000 1.158 125 Q HN 0.353 nan 8.270 nan 0.000 0.490 126 Y N 3.133 123.372 120.300 -0.102 0.000 3.180 126 Y HA 0.256 4.806 4.550 -0.001 0.000 0.386 126 Y C 1.616 177.446 175.900 -0.117 0.000 1.054 126 Y CA 0.987 59.013 58.100 -0.123 0.000 2.020 126 Y CB -0.627 37.724 38.460 -0.182 0.000 2.171 126 Y HN 0.460 nan 8.280 nan 0.000 0.415 127 G N 0.878 109.675 108.800 -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 1.207 176.104 174.900 -0.006 0.000 1.271 127 G CA -0.037 45.060 45.100 -0.005 0.000 1.003 127 G HN 0.862 nan 8.290 nan 0.000 0.549 128 G N -0.276 108.521 108.800 -0.004 0.000 2.641 128 G HA2 0.498 4.457 3.960 -0.001 0.000 0.278 128 G HA3 0.498 4.457 3.960 -0.001 0.000 0.278 128 G C -0.177 174.714 174.900 -0.016 0.000 0.655 128 G CA 1.309 46.403 45.100 -0.010 0.000 2.105 128 G HN 1.807 nan 8.290 nan 0.000 0.558 129 V N 1.610 121.522 119.914 -0.004 0.000 2.915 129 V HA 0.361 4.480 4.120 -0.001 0.000 0.273 129 V C -0.305 175.823 176.094 0.057 0.000 1.538 129 V CA -1.221 61.093 62.300 0.022 0.000 0.946 129 V CB 1.725 33.537 31.823 -0.019 0.000 1.183 129 V HN 0.720 nan 8.190 nan 0.000 0.446 130 R N 6.484 127.007 120.500 0.038 0.000 2.438 130 R HA 0.490 4.829 4.340 -0.001 0.000 0.287 130 R C -2.351 173.927 176.300 -0.035 0.000 1.077 130 R CA -0.987 55.116 56.100 0.006 0.000 1.034 130 R CB 1.247 31.533 30.300 -0.022 0.000 0.993 130 R HN 0.543 nan 8.270 nan 0.000 0.459 131 P HA -0.049 nan 4.420 nan 0.000 0.271 131 P C -1.185 175.997 177.300 -0.198 0.000 1.244 131 P CA 0.065 63.135 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 -0.069 120.167 120.300 -0.107 0.000 2.531 132 Y HA 0.312 4.861 4.550 -0.001 0.000 0.347 132 Y C 1.671 177.540 175.900 -0.052 0.000 1.024 132 Y CA 0.307 58.334 58.100 -0.122 0.000 1.306 132 Y CB -0.299 38.055 38.460 -0.176 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 -0.879 174.058 174.900 0.062 0.000 0.801 133 G CA -0.053 45.084 45.100 0.061 0.000 1.978 133 G HN 0.547 nan 8.290 nan 0.000 0.591 134 V N -0.272 119.682 119.914 0.066 0.000 3.167 134 V HA 0.820 4.939 4.120 -0.001 0.000 0.293 134 V C -1.142 174.963 176.094 0.018 0.000 1.379 134 V CA -0.653 61.667 62.300 0.034 0.000 1.019 134 V CB 2.105 33.945 31.823 0.028 0.000 1.115 134 V HN 0.343 nan 8.190 nan 0.000 0.442 135 S N 4.167 119.861 115.700 -0.009 0.000 2.570 135 S HA 1.015 5.484 4.470 -0.001 0.000 0.286 135 S C -1.383 173.172 174.600 -0.074 0.000 1.099 135 S CA -0.574 57.612 58.200 -0.022 0.000 0.913 135 S CB 1.627 64.818 63.200 -0.015 0.000 1.085 135 S HN 1.306 nan 8.310 nan 0.000 0.480 136 L N 0.315 121.471 121.223 -0.113 0.000 2.720 136 L HA 0.770 5.109 4.340 -0.001 0.000 0.261 136 L C -1.061 175.627 176.870 -0.303 0.000 1.046 136 L CA -1.022 53.673 54.840 -0.241 0.000 0.886 136 L CB 0.609 42.462 42.059 -0.343 0.000 1.493 136 L HN 0.749 nan 8.230 nan 0.000 0.407 137 I N -1.809 118.517 120.570 -0.406 0.000 2.582 137 I HA 0.768 4.937 4.170 -0.001 0.000 0.292 137 I C -1.562 174.291 176.117 -0.440 0.000 1.066 137 I CA -0.529 60.592 61.300 -0.299 0.000 1.053 137 I CB 2.205 40.107 38.000 -0.163 0.000 1.241 137 I HN 0.443 nan 8.210 nan 0.000 0.421 138 F N 4.203 124.219 119.950 0.110 0.000 2.443 138 F HA 0.859 5.385 4.527 -0.001 0.000 0.335 138 F C 0.451 176.349 175.800 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 0.147 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 -0.135 52.054 52.037 0.255 0.000 0.696 139 A CB 1.656 20.765 19.000 0.183 0.000 1.278 139 A HN 1.255 nan 8.150 nan 0.000 0.405 140 G N -0.148 108.789 108.800 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 1.481 nan 8.290 nan 0.000 0.552 141 I N 1.569 122.178 120.570 0.064 0.000 2.406 141 I HA 0.562 4.731 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 1.408 39.406 38.000 -0.004 0.000 1.289 141 I HN 0.843 nan 8.210 nan 0.000 0.441 142 D N 5.357 125.791 120.400 0.057 0.000 2.666 142 D HA 0.140 4.780 4.640 -0.001 0.000 0.252 142 D C 0.487 176.790 176.300 0.005 0.000 1.143 142 D CA -0.238 53.779 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 -0.669 119.121 119.800 -0.016 0.000 2.181 143 Q HA -0.030 4.309 4.340 -0.001 0.000 0.205 143 Q C 1.716 177.712 176.000 -0.007 0.000 0.980 143 Q CA 1.716 57.506 55.803 -0.021 0.000 0.862 143 Q CB -0.369 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 -1.307 119.265 120.570 0.003 0.000 2.716 144 I HA 0.169 4.338 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 0.008 0.000 1.478 144 I CB 0.019 38.033 38.000 0.022 0.000 1.104 144 I HN 0.332 nan 8.210 nan 0.000 0.439 145 G N 0.346 109.151 108.800 0.009 0.000 2.293 145 G HA2 -0.018 3.941 3.960 -0.001 0.000 0.282 145 G HA3 -0.018 3.941 3.960 -0.001 0.000 0.282 145 G C -3.093 171.801 174.900 -0.010 0.000 1.299 145 G CA -1.092 44.006 45.100 -0.005 0.000 1.018 145 G HN -0.212 nan 8.290 nan 0.000 0.478 146 P HA 0.415 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 2.383 122.872 120.500 -0.019 0.000 2.725 147 R HA 0.714 5.053 4.340 -0.001 0.000 0.277 147 R C -1.397 174.868 176.300 -0.058 0.000 0.987 147 R CA -1.113 54.963 56.100 -0.041 0.000 0.901 147 R CB 1.956 32.335 30.300 0.132 0.000 1.207 147 R HN 0.297 nan 8.270 nan 0.000 0.463 148 L N 2.669 123.725 121.223 -0.279 0.000 2.406 148 L HA 0.588 4.927 4.340 -0.001 0.000 0.272 148 L C -1.811 174.825 176.870 -0.389 0.000 0.980 148 L CA -0.311 54.420 54.840 -0.182 0.000 0.831 148 L CB 1.285 43.275 42.059 -0.114 0.000 1.253 148 L HN 0.522 nan 8.230 nan 0.000 0.406 149 F N 2.752 122.814 119.950 0.187 0.000 2.603 149 F HA 0.669 5.195 4.527 -0.001 0.000 0.317 149 F C -0.415 175.504 175.800 0.198 0.000 1.066 149 F CA -0.620 57.526 58.000 0.244 0.000 0.941 149 F CB 2.078 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 0.072 120.722 120.400 0.417 0.000 2.547 150 D HA 0.528 5.168 4.640 -0.001 0.000 0.231 150 D C -1.562 174.890 176.300 0.253 0.000 1.099 150 D CA -0.491 53.626 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 2.082 121.473 119.300 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 28.852 27.740 0.225 0.000 1.841 151 C HN 0.787 nan 8.230 nan 0.000 0.477 152 D N 4.132 124.578 120.400 0.078 0.000 2.442 152 D HA 0.466 5.106 4.640 -0.001 0.000 0.254 152 D C -2.290 174.044 176.300 0.056 0.000 1.069 152 D CA -1.739 52.294 54.000 0.055 0.000 1.017 152 D CB 0.848 41.681 40.800 0.056 0.000 1.172 152 D HN 0.193 nan 8.370 nan 0.000 0.561 153 P HA -0.023 nan 4.420 nan 0.000 0.223 153 P C 0.931 178.270 177.300 0.065 0.000 1.144 153 P CA 1.870 65.010 63.100 0.067 0.000 0.783 153 P CB 0.055 31.794 31.700 0.064 0.000 0.771 154 A N -1.060 121.790 122.820 0.050 0.000 2.167 154 A HA 0.354 4.673 4.320 -0.001 0.000 0.214 154 A C 1.790 179.404 177.584 0.050 0.000 1.151 154 A CA 1.063 53.125 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 -1.684 107.150 108.800 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 45.451 45.100 0.056 0.000 0.650 155 G HN 0.638 nan 8.290 nan 0.000 0.527 156 T N 1.140 115.732 114.554 0.064 0.000 2.884 156 T HA 0.551 4.901 4.350 -0.001 0.000 0.298 156 T C 0.281 175.044 174.700 0.104 0.000 0.998 156 T CA 0.539 62.682 62.100 0.072 0.000 1.124 156 T CB 1.988 70.896 68.868 0.067 0.000 0.931 156 T HN 0.777 nan 8.240 nan 0.000 0.531 157 I N 2.597 123.235 120.570 0.113 0.000 2.582 157 I HA 0.569 4.739 4.170 -0.001 0.000 0.292 157 I C -1.573 174.666 176.117 0.204 0.000 1.066 157 I CA -0.876 60.527 61.300 0.172 0.000 1.053 157 I CB 1.905 39.974 38.000 0.114 0.000 1.241 157 I HN 0.639 nan 8.210 nan 0.000 0.421 158 N N 4.560 123.447 118.700 0.311 0.000 2.331 158 N HA 0.333 5.072 4.740 -0.001 0.000 0.280 158 N C -1.847 173.816 175.510 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 40.420 38.487 -0.014 0.000 1.619 158 N HN 0.587 nan 8.380 nan 0.000 0.476 159 E N 1.053 121.233 120.200 -0.034 0.000 2.216 159 E HA 0.355 4.704 4.350 -0.001 0.000 0.279 159 E C -1.244 175.138 176.600 -0.363 0.000 0.997 159 E CA -0.351 55.837 56.400 -0.353 0.000 0.817 159 E CB 0.709 30.085 29.700 -0.541 0.000 1.096 159 E HN 0.427 nan 8.360 nan 0.000 0.393 160 Y N 2.320 122.450 120.300 -0.285 0.000 2.650 160 Y HA 0.292 4.841 4.550 -0.001 0.000 0.331 160 Y C 0.866 176.635 175.900 -0.219 0.000 1.082 160 Y CA -0.897 57.082 58.100 -0.203 0.000 1.171 160 Y CB 1.150 39.510 38.460 -0.167 0.000 1.326 160 Y HN 0.494 nan 8.280 nan 0.000 0.513 161 K N 0.499 120.879 120.400 -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 56.926 56.287 -0.132 0.000 0.988 161 K CB 0.681 33.102 32.500 -0.132 0.000 0.880 161 K HN 0.672 nan 8.250 nan 0.000 0.513 162 A N -0.989 121.672 122.820 -0.265 0.000 2.590 162 A HA 0.542 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 1.073 19.666 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 5.211 4.350 -0.001 0.000 0.308 163 T C -1.182 173.351 174.700 -0.279 0.000 1.667 163 T CA 0.679 62.566 62.100 -0.355 0.000 0.987 163 T CB 1.064 69.367 68.868 -0.941 0.000 1.652 163 T HN 2.599 nan 8.240 nan 0.000 0.496 164 A N 0.756 123.419 122.820 -0.261 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 20.471 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 0.379 176.454 176.117 -0.070 0.000 1.434 165 I CA 1.225 62.466 61.300 -0.097 0.000 0.969 165 I CB 1.870 39.802 38.000 -0.114 0.000 1.328 165 I HN 2.313 nan 8.210 nan 0.000 0.486 166 G N 2.152 110.922 108.800 -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 0.429 175.316 174.900 -0.023 0.000 1.217 166 G CA 0.478 45.556 45.100 -0.036 0.000 1.002 166 G HN 1.113 nan 8.290 nan 0.000 0.574 167 S N -0.132 115.556 115.700 -0.019 0.000 2.361 167 S HA 0.106 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 2.402 60.596 58.200 -0.010 0.000 1.025 167 S CB -0.991 62.204 63.200 -0.009 0.000 0.996 167 S HN 2.082 nan 8.310 nan 0.000 0.422 168 G N 1.328 110.121 108.800 -0.011 0.000 3.414 168 G HA2 0.113 4.073 3.960 -0.001 0.000 0.258 168 G HA3 0.113 4.073 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 -0.101 44.996 45.100 -0.005 0.000 1.319 168 G HN 0.585 nan 8.290 nan 0.000 0.555 169 K N 0.539 120.930 120.400 -0.014 0.000 1.978 169 K HA -0.141 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 1.671 57.946 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 0.225 nan 8.250 nan 0.000 0.441 170 D N 0.445 120.851 120.400 0.011 0.000 2.157 170 D HA -0.253 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 1.656 55.671 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 1.097 123.939 122.820 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 1.652 53.724 52.037 0.059 0.000 0.614 171 A CB -1.161 17.869 19.000 0.051 0.000 0.844 171 A HN 0.164 nan 8.150 nan 0.000 0.445 172 V N -0.393 119.552 119.914 0.053 0.000 2.324 172 V HA -0.214 3.906 4.120 -0.001 0.000 0.250 172 V C 2.393 178.519 176.094 0.053 0.000 1.060 172 V CA 2.592 64.914 62.300 0.036 0.000 1.042 172 V CB -0.416 31.382 31.823 -0.041 0.000 0.650 172 V HN 0.383 nan 8.190 nan 0.000 0.450 173 V N -0.156 119.776 119.914 0.030 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 65.174 62.300 0.032 0.000 1.038 173 V CB -0.292 31.539 31.823 0.013 0.000 0.651 173 V HN 0.745 nan 8.190 nan 0.000 0.450 174 S N -0.207 115.555 115.700 0.103 0.000 2.368 174 S HA -0.155 4.314 4.470 -0.001 0.000 0.224 174 S C 1.696 176.401 174.600 0.176 0.000 1.029 174 S CA 1.685 59.952 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 2.922 122.888 119.950 0.026 0.000 2.069 175 F HA -0.133 4.394 4.527 -0.001 0.000 0.298 175 F C 1.815 177.648 175.800 0.056 0.000 1.113 175 F CA 1.130 59.151 58.000 0.035 0.000 1.214 175 F CB -0.723 38.294 39.000 0.028 0.000 0.978 175 F HN 0.071 nan 8.300 nan 0.000 0.474 176 L N 0.569 122.052 121.223 0.434 0.000 1.989 176 L HA -0.216 4.123 4.340 -0.001 0.000 0.211 176 L C 2.485 179.515 176.870 0.266 0.000 1.071 176 L CA 2.150 57.177 54.840 0.312 0.000 0.749 176 L CB -1.939 40.187 42.059 0.111 0.000 0.890 176 L HN 0.238 nan 8.230 nan 0.000 0.431 177 E N 0.073 120.377 120.200 0.174 0.000 2.208 177 E HA -0.273 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 1.839 58.316 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 -0.205 120.381 120.500 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 -0.043 30.264 30.300 0.011 0.000 0.883 178 R HN 0.090 nan 8.270 nan 0.000 0.444 179 E N 0.272 120.579 120.200 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 0.250 0.000 1.056 179 E CA -0.316 56.204 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 2.022 122.409 120.300 0.146 0.000 2.465 180 Y HA 0.118 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 -0.417 57.748 58.100 0.107 0.000 1.358 180 Y CB 0.454 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 5.605 125.579 120.400 -0.709 0.000 2.316 181 K HA 0.181 4.500 4.320 -0.001 0.000 0.267 181 K C 0.652 176.768 176.600 -0.807 0.000 1.025 181 K CA -0.395 55.563 56.287 -0.547 0.000 0.896 181 K CB 1.013 33.363 32.500 -0.250 0.000 1.124 181 K HN 0.825 nan 8.250 nan 0.000 0.451 182 E N 3.343 123.229 120.200 -0.524 0.000 2.223 182 E HA -0.324 4.025 4.350 -0.001 0.000 0.249 182 E C -0.379 176.154 176.600 -0.112 0.000 1.008 182 E CA 2.329 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 -0.218 118.451 118.700 -0.052 0.000 2.758 183 N HA 0.173 4.912 4.740 -0.001 0.000 0.293 183 N C -1.164 174.360 175.510 0.024 0.000 1.273 183 N CA -0.469 52.593 53.050 0.021 0.000 1.022 183 N CB 0.207 38.712 38.487 0.031 0.000 1.334 183 N HN 0.108 nan 8.380 nan 0.000 0.519 184 L N 1.548 122.765 121.223 -0.010 0.000 2.534 184 L HA 0.223 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 -1.691 53.138 54.840 -0.018 0.000 0.907 184 L CB 0.206 42.227 42.059 -0.063 0.000 1.164 184 L HN 0.115 nan 8.230 nan 0.000 0.482 185 P HA 0.026 nan 4.420 nan 0.000 0.268 185 P C 0.470 177.614 177.300 -0.259 0.000 1.205 185 P CA -0.091 62.969 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 3.497 123.367 120.200 -0.550 0.000 2.170 186 E HA -0.403 3.947 4.350 -0.001 0.000 0.229 186 E C 1.662 178.018 176.600 -0.406 0.000 1.074 186 E CA 2.188 58.051 56.400 -0.894 0.000 0.930 186 E CB -0.150 29.143 29.700 -0.678 0.000 0.806 186 E HN 0.332 nan 8.360 nan 0.000 0.478 187 K N 0.037 120.347 120.400 -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 2.123 58.442 56.287 0.054 0.000 0.927 187 K CB -0.063 32.501 32.500 0.105 0.000 0.713 187 K HN 0.262 nan 8.250 nan 0.000 0.443 188 E N -0.425 119.761 120.200 -0.024 0.000 2.152 188 E HA -0.137 4.213 4.350 -0.001 0.000 0.192 188 E C 1.968 178.544 176.600 -0.041 0.000 0.983 188 E CA 0.744 57.138 56.400 -0.009 0.000 0.818 188 E CB -0.034 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 1.388 124.138 122.820 -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 -0.935 17.972 19.000 -0.154 0.000 0.822 189 A HN 0.224 nan 8.150 nan 0.000 0.443 190 V N -0.114 119.675 119.914 -0.208 0.000 2.392 190 V HA -0.215 3.905 4.120 -0.001 0.000 0.249 190 V C 2.313 178.302 176.094 -0.174 0.000 1.059 190 V CA 3.242 65.373 62.300 -0.282 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 1.387 115.916 114.554 -0.043 0.000 2.595 191 T HA -0.204 4.146 4.350 -0.001 0.000 0.264 191 T C 1.833 176.528 174.700 -0.008 0.000 1.058 191 T CA 2.130 64.263 62.100 0.055 0.000 1.166 191 T CB -0.626 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 1.602 122.819 121.223 -0.009 0.000 2.064 192 L HA -0.099 4.240 4.340 -0.001 0.000 0.216 192 L C 2.390 179.163 176.870 -0.161 0.000 1.077 192 L CA 2.380 57.203 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 -0.383 108.341 108.800 -0.125 0.000 2.484 193 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.215 193 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.215 193 G C 1.718 176.498 174.900 -0.200 0.000 1.219 193 G CA 0.935 45.935 45.100 -0.167 0.000 0.791 193 G HN 0.528 nan 8.290 nan 0.000 0.550 194 I N 0.343 120.826 120.570 -0.146 0.000 2.315 194 I HA -0.172 3.997 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 1.875 63.110 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 0.847 121.177 120.400 -0.117 0.000 2.001 195 K HA -0.184 4.136 4.320 -0.001 0.000 0.208 195 K C 2.142 178.583 176.600 -0.265 0.000 1.048 195 K CA 1.456 57.695 56.287 -0.081 0.000 0.932 195 K CB -0.218 32.293 32.500 0.019 0.000 0.715 195 K HN 0.413 nan 8.250 nan 0.000 0.437 196 A N 1.448 123.829 122.820 -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 -1.071 0.000 0.624 196 A CB -0.721 17.647 19.000 -1.052 0.000 0.822 196 A HN 0.424 nan 8.150 nan 0.000 0.444 197 L N -0.328 120.753 121.223 -0.236 0.000 2.046 197 L HA -0.133 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 2.527 57.294 54.840 -0.122 0.000 0.747 197 L CB -0.592 41.402 42.059 -0.109 0.000 0.896 197 L HN 0.418 nan 8.230 nan 0.000 0.432 198 K N -0.411 119.960 120.400 -0.048 0.000 1.965 198 K HA -0.228 4.092 4.320 -0.001 0.000 0.218 198 K C 2.217 178.840 176.600 0.038 0.000 1.048 198 K CA 2.341 58.630 56.287 0.004 0.000 0.960 198 K CB -0.420 32.094 32.500 0.023 0.000 0.732 198 K HN 0.617 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 -0.331 4.139 4.470 -0.001 0.000 0.244 199 S C 2.111 176.769 174.600 0.098 0.000 1.077 199 S CA 2.200 60.486 58.200 0.144 0.000 1.159 199 S CB -1.246 62.147 63.200 0.321 0.000 1.045 199 S HN 0.461 nan 8.310 nan 0.000 0.438 200 S N 1.469 117.220 115.700 0.085 0.000 2.523 200 S HA -0.077 4.392 4.470 -0.001 0.000 0.226 200 S C 1.817 176.435 174.600 0.031 0.000 1.062 200 S CA 1.391 59.623 58.200 0.054 0.000 1.207 200 S CB -0.850 62.365 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 0.045 4.385 4.340 -0.001 0.000 0.220 201 L C 1.085 177.963 176.870 0.013 0.000 1.133 201 L CA 1.574 56.418 54.840 0.008 0.000 0.798 201 L CB -1.535 40.521 42.059 -0.005 0.000 0.922 201 L HN 0.402 nan 8.230 nan 0.000 0.445 202 E N 0.275 120.487 120.200 0.020 0.000 2.441 202 E HA -0.111 4.239 4.350 -0.001 0.000 0.210 202 E C 1.566 178.180 176.600 0.024 0.000 1.306 202 E CA 0.002 56.416 56.400 0.023 0.000 1.307 202 E CB -0.426 29.291 29.700 0.028 0.000 1.297 202 E HN 0.338 nan 8.360 nan 0.000 0.440 203 E N -0.300 119.913 120.200 0.020 0.000 2.152 203 E HA -0.062 4.287 4.350 -0.001 0.000 0.192 203 E C 1.076 177.685 176.600 0.015 0.000 0.983 203 E CA 0.781 57.192 56.400 0.019 0.000 0.818 203 E CB 0.032 29.741 29.700 0.016 0.000 0.758 203 E HN 0.303 nan 8.360 nan 0.000 0.467 204 G N 1.074 109.881 108.800 0.013 0.000 3.496 204 G HA2 0.028 3.987 3.960 -0.001 0.000 0.273 204 G HA3 0.028 3.987 3.960 -0.001 0.000 0.273 204 G C 0.571 175.477 174.900 0.011 0.000 1.279 204 G CA 0.525 45.632 45.100 0.010 0.000 1.041 204 G HN 0.279 nan 8.290 nan 0.000 0.539 205 E N 0.484 120.693 120.200 0.014 0.000 4.217 205 E HA -0.357 3.993 4.350 -0.001 0.000 0.199 205 E C 0.657 177.266 176.600 0.015 0.000 1.296 205 E CA 2.112 58.521 56.400 0.016 0.000 2.222 205 E CB -1.381 28.328 29.700 0.014 0.000 1.890 205 E HN 0.539 nan 8.360 nan 0.000 0.299 206 E N 0.345 120.553 120.200 0.012 0.000 2.415 206 E HA 0.076 4.426 4.350 -0.001 0.000 0.260 206 E C 0.977 177.583 176.600 0.010 0.000 1.016 206 E CA 0.389 56.796 56.400 0.012 0.000 0.924 206 E CB 0.257 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 0.027 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 1.238 56.083 54.840 0.008 0.000 0.826 207 L CB -0.809 41.257 42.059 0.011 0.000 0.941 207 L HN 0.761 nan 8.230 nan 0.000 0.451 208 K N -0.635 119.770 120.400 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 0.012 0.000 1.716 208 K CA 1.660 57.952 56.287 0.008 0.000 0.609 208 K CB -1.786 30.716 32.500 0.003 0.000 0.915 208 K HN 0.375 nan 8.250 nan 0.000 0.766 209 A N 1.724 124.549 122.820 0.009 0.000 2.316 209 A HA 0.581 4.900 4.320 -0.001 0.000 0.324 209 A C -2.524 175.062 177.584 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 0.249 nan 4.420 nan 0.000 0.274 210 P C -0.386 176.897 177.300 -0.029 0.000 1.237 210 P CA -0.226 62.858 63.100 -0.026 0.000 0.793 210 P CB 0.741 32.418 31.700 -0.039 0.000 0.977 211 E N 1.796 121.966 120.200 -0.049 0.000 2.145 211 E HA 0.523 4.872 4.350 -0.001 0.000 0.270 211 E C -1.194 175.349 176.600 -0.096 0.000 0.906 211 E CA -0.640 55.731 56.400 -0.049 0.000 0.761 211 E CB 0.606 30.280 29.700 -0.043 0.000 1.116 211 E HN 0.358 nan 8.360 nan 0.000 0.408 212 I N 2.799 123.295 120.570 -0.124 0.000 2.686 212 I HA 0.777 4.946 4.170 -0.001 0.000 0.295 212 I C -1.782 174.191 176.117 -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 39.405 38.000 -0.503 0.000 1.238 212 I HN 0.645 nan 8.210 nan 0.000 0.420 213 A N 4.524 127.234 122.820 -0.183 0.000 2.587 213 A HA 0.899 5.219 4.320 -0.001 0.000 0.293 213 A C -1.200 176.480 177.584 0.161 0.000 1.087 213 A CA -0.166 51.909 52.037 0.064 0.000 0.692 213 A CB 1.908 20.962 19.000 0.090 0.000 1.291 213 A HN 0.910 nan 8.150 nan 0.000 0.407 214 S N 0.047 115.963 115.700 0.361 0.000 2.588 214 S HA 0.817 5.287 4.470 -0.001 0.000 0.269 214 S C -0.996 173.643 174.600 0.065 0.000 1.157 214 S CA -0.505 57.865 58.200 0.283 0.000 0.824 214 S CB 1.198 64.589 63.200 0.318 0.000 1.126 214 S HN 1.749 nan 8.310 nan 0.000 0.464 215 I N 0.704 121.123 120.570 -0.253 0.000 2.894 215 I HA 0.750 4.920 4.170 -0.001 0.000 0.302 215 I C -1.349 174.639 176.117 -0.215 0.000 1.188 215 I CA -0.188 60.851 61.300 -0.436 0.000 1.014 215 I CB 2.342 39.666 38.000 -1.126 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 0.345 4.694 4.350 -0.001 0.000 0.293 216 T C -0.854 173.807 174.700 -0.066 0.000 1.027 216 T CA -0.357 61.705 62.100 -0.064 0.000 0.988 216 T CB 1.577 70.488 68.868 0.072 0.000 1.043 216 T HN 0.513 nan 8.240 nan 0.000 0.461 217 V N 4.956 124.836 119.914 -0.056 0.000 2.790 217 V HA 0.353 4.473 4.120 -0.001 0.000 0.304 217 V C 1.634 177.734 176.094 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 0.322 45.452 45.100 0.051 0.000 0.622 218 G HN 1.428 nan 8.290 nan 0.000 0.507 219 N N -0.537 118.169 118.700 0.009 0.000 3.204 219 N HA 0.470 5.209 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 -0.612 119.553 120.400 -0.393 0.000 2.120 220 K HA 0.199 4.519 4.320 -0.001 0.000 0.245 220 K C -0.568 175.884 176.600 -0.246 0.000 1.024 220 K CA -0.315 55.649 56.287 -0.538 0.000 0.906 220 K CB 0.325 32.586 32.500 -0.397 0.000 1.051 220 K HN 0.348 nan 8.250 nan 0.000 0.491 221 Y N 1.007 121.185 120.300 -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 0.675 39.113 38.460 -0.036 0.000 1.311 221 Y HN 0.387 nan 8.280 nan 0.000 0.575 222 R N 4.910 125.570 120.500 0.266 0.000 2.476 222 R HA 0.491 4.830 4.340 -0.001 0.000 0.305 222 R C -1.738 174.731 176.300 0.281 0.000 0.965 222 R CA -0.482 55.735 56.100 0.194 0.000 0.867 222 R CB 0.568 30.938 30.300 0.117 0.000 1.176 222 R HN 0.737 nan 8.270 nan 0.000 0.447 223 I N 5.136 125.824 120.570 0.196 0.000 2.325 223 I HA 0.183 4.352 4.170 -0.001 0.000 0.291 223 I C -0.375 175.892 176.117 0.249 0.000 1.019 223 I CA -0.806 60.616 61.300 0.203 0.000 1.302 223 I CB 0.690 38.747 38.000 0.096 0.000 1.401 223 I HN 0.530 nan 8.210 nan 0.000 0.485 224 Y N 5.260 125.574 120.300 0.023 0.000 2.526 224 Y HA -0.011 4.538 4.550 -0.001 0.000 0.330 224 Y C 0.965 176.883 175.900 0.029 0.000 1.156 224 Y CA -0.827 57.288 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 2.605 123.076 120.400 0.119 0.000 2.313 225 D HA 0.020 4.659 4.640 -0.001 0.000 0.247 225 D C 0.878 177.240 176.300 0.103 0.000 1.094 225 D CA -0.449 53.600 54.000 0.083 0.000 0.925 225 D CB 1.055 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 0.527 120.372 119.800 0.075 0.000 2.124 226 Q HA -0.329 4.011 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 2.406 58.250 55.803 0.070 0.000 0.890 226 Q CB 0.074 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 0.339 120.577 120.200 0.064 0.000 2.072 227 E HA -0.174 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 1.408 57.841 56.400 0.056 0.000 0.801 227 E CB -0.212 29.505 29.700 0.028 0.000 0.750 227 E HN 0.506 nan 8.360 nan 0.000 0.452 228 E N 0.333 120.602 120.200 0.115 0.000 2.058 228 E HA -0.198 4.152 4.350 -0.001 0.000 0.194 228 E C 2.053 178.916 176.600 0.438 0.000 0.997 228 E CA 1.342 57.863 56.400 0.201 0.000 0.801 228 E CB -0.062 29.705 29.700 0.111 0.000 0.746 228 E HN 0.162 nan 8.360 nan 0.000 0.450 229 V N 0.998 121.142 119.914 0.383 0.000 2.358 229 V HA -0.228 3.891 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 2.341 64.875 62.300 0.390 0.000 1.035 229 V CB -0.392 31.550 31.823 0.197 0.000 0.658 229 V HN 0.252 nan 8.190 nan 0.000 0.452 230 K N -0.116 120.396 120.400 0.187 0.000 2.281 230 K HA -0.255 4.065 4.320 -0.001 0.000 0.203 230 K C 2.221 178.869 176.600 0.081 0.000 1.046 230 K CA 1.794 58.148 56.287 0.111 0.000 0.938 230 K CB -0.200 32.340 32.500 0.066 0.000 0.737 230 K HN 0.550 nan 8.250 nan 0.000 0.458 231 K N -0.352 120.089 120.400 0.068 0.000 2.097 231 K HA -0.117 4.203 4.320 -0.001 0.000 0.205 231 K C 1.326 177.778 176.600 -0.247 0.000 1.050 231 K CA 1.292 57.497 56.287 -0.137 0.000 0.938 231 K CB 0.009 32.341 32.500 -0.279 0.000 0.718 231 K HN 0.080 nan 8.250 nan 0.000 0.442 232 F N 0.599 120.570 119.950 0.036 0.000 2.569 232 F HA 0.101 4.627 4.527 -0.001 0.000 0.295 232 F C 1.078 176.885 175.800 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 0.106 0.000 0.813 233 L CB 0.000 42.111 42.059 0.088 0.000 0.961 233 L HN 0.000 nan 8.230 nan 0.000 0.502