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_C 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 -0.041 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 -1.226 119.108 120.400 -0.109 0.000 2.593 9 D HA 0.091 4.730 4.640 -0.001 0.000 0.241 9 D C 1.167 177.579 176.300 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 40.884 40.800 -0.155 0.000 1.049 9 D HN 0.071 nan 8.370 nan 0.000 0.490 10 R N 0.180 120.742 120.500 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 0.792 31.103 30.300 0.019 0.000 1.059 10 R HN 0.205 nan 8.270 nan 0.000 0.530 11 A N 0.647 123.530 122.820 0.104 0.000 2.393 11 A HA 0.479 4.799 4.320 -0.001 0.000 0.306 11 A C 0.255 177.881 177.584 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 1.545 122.141 120.570 0.044 0.000 3.251 12 I HA 0.006 4.175 4.170 -0.001 0.000 0.277 12 I C 1.174 177.266 176.117 -0.041 0.000 1.268 12 I CA 1.127 62.428 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 -0.324 114.212 114.554 -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 -0.452 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 -0.628 175.369 176.094 -0.161 0.000 0.684 14 V CA -1.088 61.136 62.300 -0.127 0.000 1.956 14 V CB -1.348 30.475 31.823 -0.000 0.000 2.454 14 V HN 0.896 nan 8.190 nan 0.000 0.485 15 F N 3.701 123.647 119.950 -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 0.630 58.606 58.000 -0.041 0.000 1.196 15 F CB 1.634 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 2.645 118.439 115.700 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 -0.032 0.000 1.276 16 S CA -1.212 57.047 58.200 0.099 0.000 0.998 16 S CB 1.122 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 0.392 177.617 177.300 -0.126 0.000 1.142 17 P CA 1.100 64.085 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 -2.987 117.349 120.400 -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 0.101 54.048 54.000 -0.087 0.000 0.835 18 D CB -0.223 40.542 40.800 -0.058 0.000 0.965 18 D HN 0.100 nan 8.370 nan 0.000 0.505 19 G N 1.371 110.114 108.800 -0.095 0.000 2.248 19 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.252 19 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.252 19 G C -0.217 174.671 174.900 -0.019 0.000 1.085 19 G CA -0.407 44.636 45.100 -0.095 0.000 0.845 19 G HN 0.384 nan 8.290 nan 0.000 0.494 20 R N -1.056 119.403 120.500 -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 -0.327 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 4.079 125.128 121.223 -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 0.404 120.209 119.950 -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 1.361 59.058 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 -0.088 119.546 119.800 -0.277 0.000 2.096 23 Q HA -0.174 4.166 4.340 -0.001 0.000 0.204 23 Q C 2.684 178.623 176.000 -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 -0.347 119.804 120.200 -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 1.539 57.946 56.400 0.011 0.000 0.802 25 E CB -0.665 29.034 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 0.497 123.436 122.820 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 1.789 53.895 52.037 0.116 0.000 0.617 27 A CB -0.715 18.331 19.000 0.076 0.000 0.827 27 A HN 0.416 nan 8.150 nan 0.000 0.443 28 R N -0.403 120.151 120.500 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 0.505 nan 8.270 nan 0.000 0.447 29 E N 0.736 120.996 120.200 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 1.228 124.082 122.820 0.057 0.000 1.948 30 A HA -0.208 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 2.431 54.490 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 -2.036 117.896 119.914 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 64.629 62.300 0.016 0.000 1.065 31 V CB -0.776 31.057 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 1.982 178.586 176.600 0.007 0.000 1.048 32 K CA 1.904 58.199 56.287 0.013 0.000 0.930 32 K CB -0.268 32.246 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 4.348 4.320 -0.001 0.000 0.193 33 K C 0.756 177.355 176.600 -0.001 0.000 1.026 33 K CA -0.024 56.266 56.287 0.004 0.000 1.093 33 K CB 0.361 32.864 32.500 0.006 0.000 0.849 33 K HN 0.129 nan 8.250 nan 0.000 0.509 34 G N 0.258 109.056 108.800 -0.004 0.000 2.502 34 G HA2 0.146 4.105 3.960 -0.001 0.000 0.305 34 G HA3 0.146 4.105 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 -0.586 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 -1.545 114.142 115.700 -0.023 0.000 2.587 35 S HA 0.325 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 0.216 58.400 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 0.741 nan 8.310 nan 0.000 0.568 36 T N 1.115 115.647 114.554 -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 62.061 62.100 -0.047 0.000 1.028 36 T CB 0.605 69.450 68.868 -0.039 0.000 0.951 36 T HN 0.950 nan 8.240 nan 0.000 0.460 37 A N 3.893 126.666 122.820 -0.077 0.000 2.606 37 A HA 0.872 5.191 4.320 -0.001 0.000 0.293 37 A C -1.330 176.189 177.584 -0.108 0.000 1.082 37 A CA -0.891 51.091 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 1.285 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 54.415 54.840 -0.129 0.000 0.920 38 L CB 1.550 43.532 42.059 -0.129 0.000 1.529 38 L HN 1.643 nan 8.230 nan 0.000 0.399 39 G N 0.253 108.984 108.800 -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 -1.558 173.298 174.900 -0.075 0.000 1.437 39 G CA -0.353 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 -0.916 118.675 119.600 -0.014 0.000 2.605 40 M HA 0.579 5.058 4.480 -0.001 0.000 0.281 40 M C -1.620 174.714 176.300 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 34.528 32.600 0.066 0.000 1.732 40 M HN 0.333 nan 8.290 nan 0.000 0.504 41 K N 1.428 121.847 120.400 0.032 0.000 2.154 41 K HA 0.732 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 -0.233 56.032 56.287 -0.038 0.000 0.937 41 K CB 0.863 33.342 32.500 -0.035 0.000 1.002 41 K HN 0.571 nan 8.250 nan 0.000 0.469 42 F N -1.178 118.821 119.950 0.081 0.000 3.205 42 F HA 0.606 5.133 4.527 -0.001 0.000 0.336 42 F C 1.161 176.982 175.800 0.034 0.000 1.255 42 F CA -0.725 57.315 58.000 0.066 0.000 0.998 42 F CB -0.338 38.688 39.000 0.043 0.000 1.531 42 F HN 0.493 nan 8.300 nan 0.000 0.521 43 A N 0.784 123.995 122.820 0.651 0.000 1.906 43 A HA -0.344 3.975 4.320 -0.001 0.000 0.236 43 A C 1.163 178.851 177.584 0.173 0.000 1.793 43 A CA 2.857 55.117 52.037 0.372 0.000 0.813 43 A CB -1.632 17.602 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 -0.149 175.264 175.510 -0.162 0.000 1.600 44 N CA 0.284 53.328 53.050 -0.010 0.000 0.872 44 N CB 0.693 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 -2.045 172.163 174.900 -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 -0.183 119.195 119.914 -0.893 0.000 3.120 46 V HA 0.830 4.950 4.120 -0.001 0.000 0.303 46 V C -1.522 174.504 176.094 -0.115 0.000 1.238 46 V CA -0.430 61.556 62.300 -0.524 0.000 1.008 46 V CB 1.876 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 3.655 124.950 121.223 0.120 0.000 2.350 47 L HA 0.939 5.278 4.340 -0.001 0.000 0.260 47 L C -1.939 174.979 176.870 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 2.763 124.013 121.223 0.045 0.000 2.381 48 L HA 0.777 5.116 4.340 -0.001 0.000 0.268 48 L C -1.126 175.688 176.870 -0.092 0.000 0.997 48 L CA -0.353 54.475 54.840 -0.020 0.000 0.818 48 L CB 1.968 44.025 42.059 -0.004 0.000 1.310 48 L HN 0.745 nan 8.230 nan 0.000 0.416 49 I N 1.988 122.492 120.570 -0.109 0.000 2.649 49 I HA 0.655 4.824 4.170 -0.001 0.000 0.289 49 I C -1.400 174.651 176.117 -0.109 0.000 1.222 49 I CA 0.161 61.381 61.300 -0.133 0.000 1.046 49 I CB 2.109 40.010 38.000 -0.165 0.000 1.272 49 I HN 0.478 nan 8.210 nan 0.000 0.425 50 S N 4.723 120.365 115.700 -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 -0.066 0.000 1.089 50 S CA -0.601 57.551 58.200 -0.081 0.000 0.961 50 S CB 1.214 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 2.557 122.923 120.400 -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 0.518 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 -0.276 176.316 176.600 -0.013 0.000 1.119 52 K CA -0.467 55.807 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 2.684 123.076 120.400 -0.013 0.000 2.284 53 K HA 0.141 4.460 4.320 -0.001 0.000 0.287 53 K C -0.527 176.069 176.600 -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 3.222 123.134 119.914 -0.004 0.000 2.850 54 V HA 0.388 4.507 4.120 -0.001 0.000 0.315 54 V C 0.390 176.483 176.094 -0.001 0.000 1.064 54 V CA -0.316 61.982 62.300 -0.002 0.000 0.979 54 V CB 1.760 33.583 31.823 -0.001 0.000 1.039 54 V HN 0.798 nan 8.190 nan 0.000 0.452 55 R N 2.479 122.978 120.500 -0.001 0.000 1.747 55 R HA 0.428 4.768 4.340 -0.001 0.000 0.136 55 R C 1.025 177.325 176.300 0.001 0.000 2.116 55 R CA 1.007 57.107 56.100 -0.000 0.000 1.739 55 R CB -0.579 29.721 30.300 -0.001 0.000 1.333 55 R HN 0.737 nan 8.270 nan 0.000 0.480 56 S N 0.222 115.922 115.700 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 1.854 122.355 120.500 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 0.543 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 0.444 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 0.692 177.563 176.870 0.002 0.000 1.153 58 L CA 0.788 55.629 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 -0.000 120.571 120.570 0.001 0.000 2.581 59 I HA 0.034 4.203 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 61.212 61.300 0.001 0.000 1.374 59 I CB 0.665 38.666 38.000 0.000 0.000 1.423 59 I HN 0.074 nan 8.210 nan 0.000 0.549 60 E N 5.051 125.252 120.200 0.002 0.000 2.545 60 E HA 0.005 4.355 4.350 -0.001 0.000 0.271 60 E C 0.810 177.412 176.600 0.002 0.000 1.508 60 E CA -0.167 56.234 56.400 0.002 0.000 1.774 60 E CB -0.151 29.550 29.700 0.002 0.000 1.460 60 E HN 0.585 nan 8.360 nan 0.000 0.449 61 Q N -0.127 119.674 119.800 0.003 0.000 2.375 61 Q HA -0.433 3.906 4.340 -0.001 0.000 0.443 61 Q C 1.259 177.260 176.000 0.002 0.000 0.608 61 Q CA 2.040 57.845 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 0.673 119.376 118.700 0.004 0.000 2.144 62 N HA -0.249 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 2.431 55.483 53.050 0.003 0.000 0.880 62 N CB -0.452 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 1.411 176.008 174.600 -0.005 0.000 1.028 63 S CA 0.701 58.900 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 2.670 123.236 120.570 -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 3.827 124.017 120.200 -0.017 0.000 2.299 65 E HA 0.028 4.378 4.350 -0.001 0.000 0.272 65 E C 0.414 176.994 176.600 -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 30.832 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 0.777 177.333 176.600 -0.073 0.000 1.050 66 K CA 0.333 56.588 56.287 -0.054 0.000 0.981 66 K CB 0.487 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 2.624 123.146 120.570 -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 -0.996 174.936 176.000 -0.112 0.000 1.054 68 Q CA -0.887 54.861 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 2.677 123.841 121.223 -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 0.075 54.858 54.840 -0.095 0.000 0.808 69 L CB 0.745 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 0.562 121.144 120.570 0.020 0.000 3.339 70 I HA 0.124 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 61.680 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 -0.248 176.163 176.300 0.187 0.000 1.225 71 D CA -0.472 53.601 54.000 0.121 0.000 0.748 71 D CB 0.710 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 0.341 120.871 120.400 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 40.892 40.800 0.154 0.000 0.899 72 D HN 0.432 nan 8.370 nan 0.000 0.477 73 Y N -1.045 119.364 120.300 0.181 0.000 2.500 73 Y HA 0.335 4.885 4.550 -0.001 0.000 0.246 73 Y C 0.271 176.344 175.900 0.288 0.000 1.146 73 Y CA -0.438 57.777 58.100 0.193 0.000 1.230 73 Y CB 1.142 39.652 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 -1.372 174.835 176.094 0.188 0.000 1.097 74 V CA -0.608 61.922 62.300 0.384 0.000 0.906 74 V CB 1.188 33.162 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 -0.208 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 -0.633 122.138 122.820 -0.082 0.000 2.572 76 A HA 0.745 5.065 4.320 -0.001 0.000 0.295 76 A C -1.490 175.973 177.584 -0.200 0.000 1.072 76 A CA -0.329 51.600 52.037 -0.179 0.000 0.691 76 A CB 1.365 20.171 19.000 -0.323 0.000 1.291 76 A HN 2.119 nan 8.150 nan 0.000 0.404 77 V N 0.467 120.237 119.914 -0.239 0.000 2.789 77 V HA 0.860 4.979 4.120 -0.001 0.000 0.311 77 V C -0.295 175.676 176.094 -0.206 0.000 1.073 77 V CA 0.257 62.448 62.300 -0.181 0.000 0.921 77 V CB 2.104 33.842 31.823 -0.141 0.000 1.009 77 V HN 1.317 nan 8.190 nan 0.000 0.426 78 T N 3.538 118.001 114.554 -0.152 0.000 2.930 78 T HA 0.721 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 -0.180 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 0.770 116.428 115.700 -0.070 0.000 2.603 79 S HA 0.759 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 63.802 63.200 -0.051 0.000 1.078 79 S HN 1.548 nan 8.310 nan 0.000 0.477 80 G N 3.098 111.890 108.800 -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 44.164 45.100 0.002 0.000 1.056 80 G HN 0.750 nan 8.290 nan 0.000 0.471 81 L N 2.134 123.367 121.223 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 0.948 55.798 54.840 0.017 0.000 0.928 81 L CB 0.213 42.286 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 -0.379 122.452 122.820 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 -1.245 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 -0.193 120.243 120.400 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 40.516 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 1.766 53.807 52.037 0.006 0.000 0.620 85 A CB -0.551 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 29.509 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 3.907 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 1.944 64.288 62.300 0.073 0.000 1.055 87 V CB -0.342 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 -0.623 120.595 121.223 -0.008 0.000 2.217 88 L HA -0.013 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 1.773 56.567 54.840 -0.078 0.000 0.783 88 L CB -0.348 41.581 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 64.228 62.300 0.091 0.000 1.006 89 V CB -0.555 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 -0.504 119.944 120.400 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 0.062 0.000 0.941 90 D HN 0.455 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 -0.220 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 1.860 59.848 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 0.585 123.405 122.820 -0.000 0.000 1.940 92 A HA -0.201 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 -0.260 120.199 120.500 -0.069 0.000 2.082 93 R HA -0.160 4.179 4.340 -0.001 0.000 0.234 93 R C 2.299 178.536 176.300 -0.105 0.000 1.136 93 R CA 1.957 58.023 56.100 -0.056 0.000 0.935 93 R CB -0.704 29.585 30.300 -0.017 0.000 0.842 93 R HN 0.820 nan 8.270 nan 0.000 0.430 94 I N -1.855 118.626 120.570 -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 -0.378 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 1.221 116.686 115.700 -0.393 0.000 2.383 95 S HA -0.133 4.336 4.470 -0.001 0.000 0.229 95 S C 2.216 176.681 174.600 -0.226 0.000 1.030 95 S CA 1.423 59.376 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 1.260 123.971 122.820 -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 53.482 52.037 -0.111 0.000 0.617 96 A CB -0.855 18.100 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 -0.046 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 2.096 178.099 176.000 0.006 0.000 0.991 98 Q CA 1.661 57.441 55.803 -0.039 0.000 0.851 98 Q CB -0.198 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 1.083 57.535 56.400 0.086 0.000 0.804 99 E CB 0.175 29.875 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 57.650 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 2.428 178.506 176.094 -0.026 0.000 1.080 101 V CA 2.386 64.681 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 -2.318 112.220 114.554 -0.026 0.000 2.925 102 T HA -0.098 4.251 4.350 -0.001 0.000 0.245 102 T C 1.712 176.289 174.700 -0.204 0.000 1.025 102 T CA 1.327 63.340 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 58.374 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 45.440 45.100 0.042 0.000 0.632 104 G HN 0.440 nan 8.290 nan 0.000 0.529 105 S N -1.170 114.554 115.700 0.039 0.000 2.570 105 S HA 0.470 4.940 4.470 -0.001 0.000 0.286 105 S C -1.017 173.556 174.600 -0.044 0.000 1.143 105 S CA -0.248 57.940 58.200 -0.021 0.000 0.921 105 S CB 1.050 64.227 63.200 -0.038 0.000 1.108 105 S HN 1.546 nan 8.310 nan 0.000 0.456 106 L N 7.276 128.456 121.223 -0.073 0.000 2.415 106 L HA 0.410 4.750 4.340 -0.001 0.000 0.269 106 L C 1.190 177.999 176.870 -0.102 0.000 1.244 106 L CA 0.550 55.336 54.840 -0.090 0.000 1.113 106 L CB -0.042 41.971 42.059 -0.077 0.000 1.352 106 L HN 0.693 nan 8.230 nan 0.000 0.433 107 V N 4.278 124.122 119.914 -0.117 0.000 2.307 107 V HA -0.030 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 1.349 63.588 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 4.963 4.740 -0.001 0.000 0.261 108 N C 0.438 175.892 175.510 -0.093 0.000 0.979 108 N CA -0.134 52.868 53.050 -0.079 0.000 0.930 108 N CB 1.382 39.817 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 1.915 177.906 176.117 -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 38.204 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 1.777 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 2.155 177.517 175.510 -0.248 0.000 1.024 111 N CA 1.136 54.050 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 1.248 122.306 121.223 -0.275 0.000 2.012 112 L HA -0.113 4.226 4.340 -0.001 0.000 0.210 112 L C 2.360 178.979 176.870 -0.419 0.000 1.073 112 L CA 1.444 56.102 54.840 -0.302 0.000 0.748 112 L CB -1.090 40.792 42.059 -0.294 0.000 0.891 112 L HN 0.002 nan 8.230 nan 0.000 0.431 113 V N -0.493 119.068 119.914 -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 2.169 64.063 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 -0.267 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 2.205 58.398 56.287 -0.157 0.000 0.927 114 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 0.443 115 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 1.486 57.614 56.100 0.048 0.000 0.943 115 R CB -0.496 29.833 30.300 0.048 0.000 0.846 115 R HN 0.096 nan 8.270 nan 0.000 0.431 116 V N 0.782 120.780 119.914 0.140 0.000 2.490 116 V HA -0.192 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 64.484 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 -0.352 122.468 122.820 -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 1.979 54.021 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 -0.691 119.719 120.400 0.017 0.000 2.149 118 D HA -0.150 4.489 4.640 -0.001 0.000 0.198 118 D C 2.075 178.403 176.300 0.047 0.000 0.990 118 D CA 1.124 55.148 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 0.020 119.802 119.800 -0.029 0.000 2.045 119 Q HA -0.121 4.218 4.340 -0.001 0.000 0.206 119 Q C 2.271 178.299 176.000 0.048 0.000 0.991 119 Q CA 1.195 56.932 55.803 -0.110 0.000 0.851 119 Q CB -0.274 28.127 28.738 -0.562 0.000 0.911 119 Q HN 0.395 nan 8.270 nan 0.000 0.418 120 M N 0.000 119.576 119.600 -0.040 0.000 2.175 120 M HA -0.173 4.307 4.480 -0.001 0.000 0.264 120 M C 2.185 178.599 176.300 0.189 0.000 1.063 120 M CA 1.311 56.659 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 0.128 0.000 2.170 121 Q HA -0.206 4.134 4.340 -0.001 0.000 0.203 121 Q C 1.748 177.837 176.000 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 -0.820 119.122 119.800 0.236 0.000 2.061 122 Q HA -0.178 4.161 4.340 -0.001 0.000 0.204 122 Q C 1.582 177.733 176.000 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 0.300 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 2.155 178.058 175.900 0.005 0.000 1.166 123 Y CA 0.798 58.938 58.100 0.067 0.000 1.344 123 Y CB -0.257 38.211 38.460 0.014 0.000 1.002 123 Y HN 0.052 nan 8.280 nan 0.000 0.537 124 T N -0.428 114.199 114.554 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 1.556 63.659 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 -1.335 118.373 119.800 -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 3.133 123.371 120.300 -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 0.987 59.013 58.100 -0.123 0.000 2.020 126 Y CB -0.628 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 0.876 109.673 108.800 -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 0.861 nan 8.290 nan 0.000 0.549 128 G N -0.278 108.520 108.800 -0.004 0.000 2.641 128 G HA2 0.497 4.457 3.960 -0.001 0.000 0.278 128 G HA3 0.497 4.457 3.960 -0.001 0.000 0.278 128 G C -0.176 174.715 174.900 -0.016 0.000 0.655 128 G CA 1.310 46.404 45.100 -0.010 0.000 2.105 128 G HN 1.808 nan 8.290 nan 0.000 0.558 129 V N 1.616 121.528 119.914 -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 1.724 33.536 31.823 -0.019 0.000 1.183 129 V HN 0.720 nan 8.190 nan 0.000 0.446 130 R N 6.486 127.009 120.500 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 -0.036 0.000 1.077 130 R CA -0.988 55.116 56.100 0.006 0.000 1.034 130 R CB 1.246 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 0.066 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 -0.070 120.166 120.300 -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 0.308 58.334 58.100 -0.122 0.000 1.306 132 Y CB -0.296 38.058 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 4.365 3.960 -0.001 0.000 0.272 133 G HA3 0.406 4.365 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 45.084 45.100 0.061 0.000 1.978 133 G HN 0.547 nan 8.290 nan 0.000 0.591 134 V N -0.274 119.680 119.914 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 2.106 33.946 31.823 0.028 0.000 1.115 134 V HN 0.343 nan 8.190 nan 0.000 0.442 135 S N 4.173 119.868 115.700 -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 -0.575 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 1.306 nan 8.310 nan 0.000 0.480 136 L N 0.313 121.468 121.223 -0.112 0.000 2.720 136 L HA 0.770 5.109 4.340 -0.001 0.000 0.261 136 L C -1.062 175.626 176.870 -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 -0.344 0.000 1.493 136 L HN 0.749 nan 8.230 nan 0.000 0.407 137 I N -1.810 118.517 120.570 -0.406 0.000 2.582 137 I HA 0.768 4.937 4.170 -0.001 0.000 0.292 137 I C -1.563 174.290 176.117 -0.441 0.000 1.066 137 I CA -0.528 60.592 61.300 -0.299 0.000 1.053 137 I CB 2.205 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 4.207 124.223 119.950 0.110 0.000 2.443 138 F HA 0.859 5.385 4.527 -0.001 0.000 0.335 138 F C 0.451 176.350 175.800 0.164 0.000 1.104 138 F CA -0.552 57.525 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 -0.136 52.054 52.037 0.255 0.000 0.696 139 A CB 1.657 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 -0.150 108.787 108.800 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 1.569 122.177 120.570 0.064 0.000 2.406 141 I HA 0.562 4.731 4.170 -0.001 0.000 0.290 141 I C -1.093 175.077 176.117 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 5.356 125.789 120.400 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 0.577 41.396 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 -0.031 4.308 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 1.717 57.507 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 -1.309 119.263 120.570 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 0.009 0.000 1.478 144 I CB 0.021 38.034 38.000 0.022 0.000 1.104 144 I HN 0.332 nan 8.210 nan 0.000 0.439 145 G N 0.346 109.152 108.800 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 -3.094 171.800 174.900 -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 0.415 nan 4.420 nan 0.000 0.267 146 P C -0.415 176.853 177.300 -0.054 0.000 1.205 146 P CA 0.274 63.328 63.100 -0.077 0.000 0.765 146 P CB 0.483 32.088 31.700 -0.158 0.000 0.828 147 R N 2.386 122.875 120.500 -0.019 0.000 2.725 147 R HA 0.715 5.054 4.340 -0.001 0.000 0.277 147 R C -1.396 174.869 176.300 -0.057 0.000 0.987 147 R CA -1.113 54.962 56.100 -0.041 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 2.663 123.719 121.223 -0.279 0.000 2.406 148 L HA 0.588 4.927 4.340 -0.001 0.000 0.272 148 L C -1.812 174.825 176.870 -0.389 0.000 0.980 148 L CA -0.312 54.419 54.840 -0.182 0.000 0.831 148 L CB 1.288 43.279 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 -0.417 175.502 175.800 0.198 0.000 1.066 149 F CA -0.620 57.526 58.000 0.244 0.000 0.941 149 F CB 2.079 41.230 39.000 0.251 0.000 1.291 149 F HN 0.584 nan 8.300 nan 0.000 0.472 150 D N 0.073 120.723 120.400 0.416 0.000 2.547 150 D HA 0.528 5.168 4.640 -0.001 0.000 0.231 150 D C -1.561 174.890 176.300 0.253 0.000 1.099 150 D CA -0.491 53.627 54.000 0.195 0.000 0.901 150 D CB 1.863 42.652 40.800 -0.018 0.000 1.478 150 D HN 0.638 nan 8.370 nan 0.000 0.471 151 C N 2.081 121.472 119.300 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 0.226 0.000 1.841 151 C HN 0.787 nan 8.230 nan 0.000 0.477 152 D N 4.133 124.580 120.400 0.078 0.000 2.442 152 D HA 0.466 5.105 4.640 -0.001 0.000 0.254 152 D C -2.288 174.046 176.300 0.056 0.000 1.069 152 D CA -1.740 52.293 54.000 0.055 0.000 1.017 152 D CB 0.846 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 1.876 65.017 63.100 0.067 0.000 0.783 153 P CB 0.054 31.793 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 0.352 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 1.067 53.129 52.037 0.041 0.000 0.735 154 A CB -1.155 17.862 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 0.318 45.451 45.100 0.056 0.000 0.650 155 G HN 0.639 nan 8.290 nan 0.000 0.527 156 T N 1.138 115.730 114.554 0.064 0.000 2.884 156 T HA 0.552 4.901 4.350 -0.001 0.000 0.298 156 T C 0.282 175.045 174.700 0.105 0.000 0.998 156 T CA 0.540 62.683 62.100 0.072 0.000 1.124 156 T CB 1.990 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 2.589 123.228 120.570 0.113 0.000 2.582 157 I HA 0.570 4.739 4.170 -0.001 0.000 0.292 157 I C -1.575 174.664 176.117 0.204 0.000 1.066 157 I CA -0.876 60.528 61.300 0.172 0.000 1.053 157 I CB 1.908 39.977 38.000 0.114 0.000 1.241 157 I HN 0.639 nan 8.210 nan 0.000 0.421 158 N N 4.556 123.443 118.700 0.311 0.000 2.331 158 N HA 0.332 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 1.942 40.420 38.487 -0.015 0.000 1.619 158 N HN 0.588 nan 8.380 nan 0.000 0.476 159 E N 1.052 121.232 120.200 -0.034 0.000 2.216 159 E HA 0.356 4.705 4.350 -0.001 0.000 0.279 159 E C -1.245 175.137 176.600 -0.362 0.000 0.997 159 E CA -0.351 55.837 56.400 -0.353 0.000 0.817 159 E CB 0.710 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 2.319 122.448 120.300 -0.285 0.000 2.650 160 Y HA 0.291 4.841 4.550 -0.001 0.000 0.331 160 Y C 0.865 176.634 175.900 -0.219 0.000 1.082 160 Y CA -0.897 57.082 58.100 -0.203 0.000 1.171 160 Y CB 1.152 39.512 38.460 -0.167 0.000 1.326 160 Y HN 0.494 nan 8.280 nan 0.000 0.513 161 K N 0.501 120.881 120.400 -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 0.680 33.101 32.500 -0.131 0.000 0.880 161 K HN 0.672 nan 8.250 nan 0.000 0.513 162 A N -0.991 121.670 122.820 -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 1.071 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 69.366 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 1.130 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 0.380 176.454 176.117 -0.070 0.000 1.434 165 I CA 1.224 62.466 61.300 -0.097 0.000 0.969 165 I CB 1.870 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 2.149 110.919 108.800 -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 0.479 45.557 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 0.106 4.576 4.470 -0.001 0.000 0.214 167 S C 2.231 176.826 174.600 -0.007 0.000 1.034 167 S CA 2.402 60.596 58.200 -0.010 0.000 1.025 167 S CB -0.993 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 1.330 110.124 108.800 -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 44.998 45.100 -0.005 0.000 1.319 168 G HN 0.586 nan 8.290 nan 0.000 0.555 169 K N 0.536 120.928 120.400 -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 1.668 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 0.225 nan 8.250 nan 0.000 0.441 170 D N 0.447 120.853 120.400 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 1.097 123.939 122.820 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 53.725 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 -0.395 119.551 119.914 0.053 0.000 2.324 172 V HA -0.213 3.906 4.120 -0.001 0.000 0.250 172 V C 2.393 178.519 176.094 0.053 0.000 1.060 172 V CA 2.590 64.911 62.300 0.036 0.000 1.042 172 V CB -0.414 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 -0.155 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 2.921 122.887 119.950 0.026 0.000 2.069 175 F HA -0.133 4.394 4.527 -0.001 0.000 0.298 175 F C 1.814 177.647 175.800 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 2.485 179.514 176.870 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 0.075 120.380 120.200 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 1.837 58.315 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 1.379 177.749 176.300 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 30.263 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 0.177 0.000 2.403 179 E HA -0.051 4.298 4.350 -0.001 0.000 0.188 179 E C -0.920 175.831 176.600 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 2.019 122.407 120.300 0.146 0.000 2.465 180 Y HA 0.119 4.669 4.550 -0.001 0.000 0.331 180 Y C -0.200 175.748 175.900 0.080 0.000 1.102 180 Y CA -0.421 57.744 58.100 0.107 0.000 1.358 180 Y CB 0.456 38.968 38.460 0.087 0.000 1.213 180 Y HN -0.314 nan 8.280 nan 0.000 0.525 181 K N 5.605 125.580 120.400 -0.708 0.000 2.316 181 K HA 0.181 4.500 4.320 -0.001 0.000 0.267 181 K C 0.653 176.770 176.600 -0.806 0.000 1.025 181 K CA -0.394 55.565 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 -0.380 176.153 176.600 -0.112 0.000 1.008 182 E CA 2.330 58.595 56.400 -0.224 0.000 0.975 182 E CB -0.179 29.493 29.700 -0.047 0.000 0.901 182 E HN 0.732 nan 8.360 nan 0.000 0.537 183 N N -0.219 118.450 118.700 -0.052 0.000 2.758 183 N HA 0.174 4.913 4.740 -0.001 0.000 0.293 183 N C -1.166 174.359 175.510 0.023 0.000 1.273 183 N CA -0.469 52.594 53.050 0.021 0.000 1.022 183 N CB 0.208 38.714 38.487 0.030 0.000 1.334 183 N HN 0.108 nan 8.380 nan 0.000 0.519 184 L N 1.551 122.767 121.223 -0.011 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 -1.690 53.139 54.840 -0.018 0.000 0.907 184 L CB 0.204 42.226 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 3.499 123.369 120.200 -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 58.052 56.400 -0.893 0.000 0.930 186 E CB -0.149 29.144 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 2.122 58.441 56.287 0.054 0.000 0.927 187 K CB -0.063 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 -0.423 119.762 120.200 -0.024 0.000 2.152 188 E HA -0.137 4.212 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 1.388 124.138 122.820 -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 1.451 53.430 52.037 -0.096 0.000 0.620 189 A CB -0.936 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 -0.112 119.677 119.914 -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 3.243 65.374 62.300 -0.282 0.000 1.051 190 V CB -1.134 30.354 31.823 -0.558 0.000 0.658 190 V HN 0.604 nan 8.190 nan 0.000 0.455 191 T N 1.383 115.911 114.554 -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 2.127 64.260 62.100 0.055 0.000 1.166 191 T CB -0.624 68.315 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 -0.010 0.000 2.064 192 L HA -0.099 4.240 4.340 -0.001 0.000 0.216 192 L C 2.390 179.164 176.870 -0.161 0.000 1.077 192 L CA 2.381 57.204 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 -0.387 108.338 108.800 -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 0.342 120.825 120.570 -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 63.111 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 0.846 121.176 120.400 -0.117 0.000 2.001 195 K HA -0.184 4.136 4.320 -0.001 0.000 0.208 195 K C 2.141 178.582 176.600 -0.265 0.000 1.048 195 K CA 1.456 57.694 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 1.448 123.829 122.820 -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 -1.072 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 -0.328 120.753 121.223 -0.236 0.000 2.046 197 L HA -0.133 4.206 4.340 -0.001 0.000 0.208 197 L C 2.170 179.004 176.870 -0.061 0.000 1.077 197 L CA 2.529 57.296 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 -0.414 119.958 120.400 -0.048 0.000 1.965 198 K HA -0.227 4.092 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 2.337 58.626 56.287 0.004 0.000 0.960 198 K CB -0.419 32.095 32.500 0.023 0.000 0.732 198 K HN 0.617 nan 8.250 nan 0.000 0.444 199 S N 0.579 116.335 115.700 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 60.484 58.200 0.144 0.000 1.159 199 S CB -1.242 62.150 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 1.816 176.435 174.600 0.031 0.000 1.062 200 S CA 1.391 59.623 58.200 0.054 0.000 1.207 200 S CB -0.850 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 1.383 122.613 121.223 0.013 0.000 2.353 201 L HA 0.045 4.385 4.340 -0.001 0.000 0.220 201 L C 1.088 177.965 176.870 0.013 0.000 1.133 201 L CA 1.573 56.417 54.840 0.008 0.000 0.798 201 L CB -1.534 40.522 42.059 -0.005 0.000 0.922 201 L HN 0.401 nan 8.230 nan 0.000 0.445 202 E N 0.274 120.486 120.200 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 -0.426 29.291 29.700 0.028 0.000 1.276 202 E HN 0.339 nan 8.360 nan 0.000 0.442 203 E N -0.299 119.913 120.200 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 0.783 57.194 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 0.526 45.633 45.100 0.010 0.000 1.041 204 G HN 0.279 nan 8.290 nan 0.000 0.539 205 E N 0.483 120.691 120.200 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 2.112 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 0.539 nan 8.360 nan 0.000 0.299 206 E N 0.344 120.551 120.200 0.012 0.000 2.415 206 E HA 0.076 4.425 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 29.963 29.700 0.010 0.000 0.961 206 E HN 0.400 nan 8.360 nan 0.000 0.459 207 L N 5.210 126.440 121.223 0.012 0.000 2.395 207 L HA 0.028 4.367 4.340 -0.001 0.000 0.218 207 L C 0.757 177.630 176.870 0.005 0.000 1.130 207 L CA 1.236 56.081 54.840 0.008 0.000 0.826 207 L CB -0.808 41.257 42.059 0.011 0.000 0.941 207 L HN 0.760 nan 8.230 nan 0.000 0.451 208 K N -0.633 119.773 120.400 0.009 0.000 1.860 208 K HA -0.247 4.072 4.320 -0.001 0.000 0.320 208 K C -0.213 176.393 176.600 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 1.725 124.551 122.820 0.009 0.000 2.316 209 A HA 0.581 4.900 4.320 -0.001 0.000 0.324 209 A C -2.523 175.063 177.584 0.003 0.000 1.375 209 A CA -1.201 50.844 52.037 0.014 0.000 0.882 209 A CB 0.851 19.860 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 -0.386 176.896 177.300 -0.029 0.000 1.237 210 P CA -0.228 62.857 63.100 -0.026 0.000 0.793 210 P CB 0.742 32.419 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 -1.196 175.347 176.600 -0.096 0.000 0.906 211 E CA -0.640 55.731 56.400 -0.049 0.000 0.761 211 E CB 0.608 30.282 29.700 -0.043 0.000 1.116 211 E HN 0.358 nan 8.360 nan 0.000 0.408 212 I N 2.801 123.296 120.570 -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 -0.239 0.000 1.114 212 I CA -0.501 60.640 61.300 -0.266 0.000 1.038 212 I CB 1.707 39.405 38.000 -0.504 0.000 1.238 212 I HN 0.646 nan 8.210 nan 0.000 0.420 213 A N 4.525 127.235 122.820 -0.183 0.000 2.587 213 A HA 0.899 5.219 4.320 -0.001 0.000 0.293 213 A C -1.200 176.481 177.584 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 0.046 115.962 115.700 0.361 0.000 2.588 214 S HA 0.817 5.286 4.470 -0.001 0.000 0.269 214 S C -0.997 173.643 174.600 0.065 0.000 1.157 214 S CA -0.504 57.866 58.200 0.283 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 0.703 121.121 120.570 -0.253 0.000 2.894 215 I HA 0.751 4.920 4.170 -0.001 0.000 0.302 215 I C -1.350 174.638 176.117 -0.215 0.000 1.188 215 I CA -0.189 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 4.896 119.370 114.554 -0.132 0.000 2.893 216 T HA 0.344 4.694 4.350 -0.001 0.000 0.293 216 T C -0.854 173.807 174.700 -0.066 0.000 1.027 216 T CA -0.357 61.705 62.100 -0.063 0.000 0.988 216 T CB 1.575 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 4.472 4.120 -0.001 0.000 0.304 217 V C 1.633 177.734 176.094 0.011 0.000 1.142 217 V CA 2.667 64.957 62.300 -0.017 0.000 1.282 217 V CB 0.276 32.090 31.823 -0.015 0.000 0.877 217 V HN 1.561 nan 8.190 nan 0.000 0.504 218 G N 4.449 113.274 108.800 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 -0.535 118.170 118.700 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 0.200 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 32.587 32.500 -0.397 0.000 1.051 220 K HN 0.348 nan 8.250 nan 0.000 0.491 221 Y N 1.009 121.187 120.300 -0.203 0.000 2.480 221 Y HA 0.008 4.558 4.550 -0.001 0.000 0.338 221 Y C 0.558 176.443 175.900 -0.024 0.000 1.220 221 Y CA 0.527 58.586 58.100 -0.068 0.000 1.430 221 Y CB 0.673 39.112 38.460 -0.036 0.000 1.311 221 Y HN 0.387 nan 8.280 nan 0.000 0.575 222 R N 4.915 125.574 120.500 0.266 0.000 2.476 222 R HA 0.491 4.830 4.340 -0.001 0.000 0.305 222 R C -1.737 174.732 176.300 0.281 0.000 0.965 222 R CA -0.482 55.734 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 5.140 125.828 120.570 0.196 0.000 2.325 223 I HA 0.183 4.352 4.170 -0.001 0.000 0.291 223 I C -0.373 175.893 176.117 0.248 0.000 1.019 223 I CA -0.804 60.618 61.300 0.203 0.000 1.302 223 I CB 0.686 38.744 38.000 0.096 0.000 1.401 223 I HN 0.530 nan 8.210 nan 0.000 0.485 224 Y N 5.261 125.576 120.300 0.023 0.000 2.526 224 Y HA -0.012 4.537 4.550 -0.001 0.000 0.330 224 Y C 0.966 176.884 175.900 0.029 0.000 1.156 224 Y CA -0.826 57.289 58.100 0.025 0.000 1.419 224 Y CB 0.070 38.530 38.460 0.001 0.000 1.250 224 Y HN 0.529 nan 8.280 nan 0.000 0.540 225 D N 2.607 123.079 120.400 0.119 0.000 2.313 225 D HA 0.020 4.659 4.640 -0.001 0.000 0.247 225 D C 0.879 177.241 176.300 0.103 0.000 1.094 225 D CA -0.449 53.601 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 0.530 120.375 119.800 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 2.410 58.254 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 0.339 120.577 120.200 0.064 0.000 2.072 227 E HA -0.174 4.176 4.350 -0.001 0.000 0.191 227 E C 1.711 178.364 176.600 0.089 0.000 0.985 227 E CA 1.409 57.843 56.400 0.056 0.000 0.801 227 E CB -0.213 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 0.333 120.602 120.200 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 57.866 56.400 0.201 0.000 0.801 228 E CB -0.063 29.704 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 -0.229 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 2.342 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 -0.117 120.395 120.400 0.187 0.000 2.281 230 K HA -0.254 4.065 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 1.791 58.145 56.287 0.111 0.000 0.938 230 K CB -0.199 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 -0.354 120.087 120.400 0.069 0.000 2.097 231 K HA -0.116 4.203 4.320 -0.001 0.000 0.205 231 K C 1.323 177.775 176.600 -0.247 0.000 1.050 231 K CA 1.286 57.492 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 -0.196 38.821 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