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_P 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 1.042 176.852 175.900 -0.150 0.000 1.164 8 Y CA 0.491 58.566 58.100 -0.041 0.000 1.274 8 Y CB 0.615 39.106 38.460 0.051 0.000 1.097 8 Y HN 0.488 nan 8.280 nan 0.000 0.523 9 D N -1.227 119.108 120.400 -0.109 0.000 2.593 9 D HA 0.091 4.730 4.640 -0.001 0.000 0.241 9 D C 1.167 177.578 176.300 0.186 0.000 1.257 9 D CA 0.000 53.952 54.000 -0.081 0.000 0.828 9 D CB 0.178 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 0.178 120.739 120.500 0.102 0.000 2.307 10 R HA 0.458 4.797 4.340 -0.001 0.000 0.200 10 R C 0.399 176.763 176.300 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 31.106 30.300 0.019 0.000 1.059 10 R HN 0.205 nan 8.270 nan 0.000 0.530 11 A N 0.648 123.531 122.820 0.104 0.000 2.393 11 A HA 0.480 4.799 4.320 -0.001 0.000 0.306 11 A C 0.256 177.882 177.584 0.070 0.000 1.050 11 A CA -0.581 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 1.543 122.139 120.570 0.044 0.000 3.251 12 I HA 0.006 4.175 4.170 -0.001 0.000 0.277 12 I C 1.172 177.264 176.117 -0.041 0.000 1.268 12 I CA 1.125 62.426 61.300 0.002 0.000 1.449 12 I CB -0.042 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 4.902 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 -0.454 61.605 62.100 -0.069 0.000 1.123 13 T CB 0.720 69.567 68.868 -0.035 0.000 0.902 13 T HN 0.068 nan 8.240 nan 0.000 0.528 14 V N 2.479 122.268 119.914 -0.210 0.000 2.913 14 V HA -0.073 4.046 4.120 -0.001 0.000 0.425 14 V C -0.630 175.368 176.094 -0.161 0.000 0.684 14 V CA -1.088 61.136 62.300 -0.126 0.000 1.956 14 V CB -1.349 30.474 31.823 0.000 0.000 2.454 14 V HN 0.896 nan 8.190 nan 0.000 0.485 15 F N 3.703 123.649 119.950 -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 1.634 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 2.649 118.443 115.700 0.156 0.000 2.632 16 S HA 0.311 4.780 4.470 -0.001 0.000 0.267 16 S C -2.031 172.550 174.600 -0.033 0.000 1.276 16 S CA -1.211 57.047 58.200 0.098 0.000 0.998 16 S CB 1.122 64.403 63.200 0.136 0.000 0.953 16 S HN 0.386 nan 8.310 nan 0.000 0.547 17 P HA -0.080 nan 4.420 nan 0.000 0.224 17 P C 0.391 177.616 177.300 -0.126 0.000 1.142 17 P CA 1.097 64.082 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 -2.985 117.351 120.400 -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 0.100 54.047 54.000 -0.087 0.000 0.835 18 D CB -0.223 40.543 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 -0.217 174.672 174.900 -0.019 0.000 1.085 19 G CA -0.407 44.636 45.100 -0.095 0.000 0.845 19 G HN 0.383 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 -0.471 175.632 176.300 -0.328 0.000 0.991 20 R CA -1.156 54.799 56.100 -0.242 0.000 0.896 20 R CB 1.247 31.220 30.300 -0.545 0.000 1.201 20 R HN 0.045 nan 8.270 nan 0.000 0.457 21 L N 4.082 125.130 121.223 -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 0.101 54.762 54.840 -0.298 0.000 0.970 21 L CB -0.717 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 0.403 120.208 119.950 -0.242 0.000 2.154 22 F HA -0.256 4.270 4.527 -0.001 0.000 0.301 22 F C 2.347 177.688 175.800 -0.764 0.000 1.087 22 F CA 1.362 59.059 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 0.513 nan 8.300 nan 0.000 0.485 23 Q N -0.090 119.544 119.800 -0.277 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 -0.103 0.000 0.982 23 Q CA 1.408 57.110 55.803 -0.169 0.000 0.850 23 Q CB -1.105 27.603 28.738 -0.049 0.000 0.901 23 Q HN 0.362 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 -0.026 0.000 1.058 24 V CA 1.541 63.810 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 -0.345 119.806 120.200 -0.082 0.000 2.015 25 E HA -0.195 4.154 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 1.543 57.949 56.400 0.011 0.000 0.802 25 E CB -0.667 29.032 29.700 -0.001 0.000 0.759 25 E HN 0.671 nan 8.360 nan 0.000 0.447 26 Y N 1.124 121.486 120.300 0.105 0.000 2.193 26 Y HA -0.176 4.373 4.550 -0.001 0.000 0.285 26 Y C 2.472 178.402 175.900 0.050 0.000 1.166 26 Y CA 0.492 58.638 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 0.493 123.432 122.820 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 1.785 53.892 52.037 0.116 0.000 0.617 27 A CB -0.714 18.332 19.000 0.077 0.000 0.827 27 A HN 0.416 nan 8.150 nan 0.000 0.443 28 R N -0.401 120.152 120.500 0.090 0.000 2.133 28 R HA -0.176 4.164 4.340 -0.001 0.000 0.247 28 R C 2.060 178.404 176.300 0.074 0.000 1.151 28 R CA 1.483 57.627 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 0.733 120.994 120.200 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 1.631 58.080 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 1.229 124.083 122.820 0.057 0.000 1.948 30 A HA -0.208 4.112 4.320 -0.001 0.000 0.220 30 A C 2.560 180.160 177.584 0.027 0.000 1.177 30 A CA 2.431 54.491 52.037 0.037 0.000 0.636 30 A CB -0.943 18.081 19.000 0.041 0.000 0.815 30 A HN 0.248 nan 8.150 nan 0.000 0.449 31 V N -2.025 117.907 119.914 0.030 0.000 2.548 31 V HA -0.177 3.942 4.120 -0.001 0.000 0.249 31 V C 1.966 178.066 176.094 0.009 0.000 1.055 31 V CA 2.323 64.633 62.300 0.016 0.000 1.065 31 V CB -0.778 31.054 31.823 0.015 0.000 0.681 31 V HN 0.516 nan 8.190 nan 0.000 0.462 32 K N 0.787 121.197 120.400 0.017 0.000 2.103 32 K HA -0.106 4.213 4.320 -0.001 0.000 0.207 32 K C 1.984 178.588 176.600 0.007 0.000 1.048 32 K CA 1.908 58.202 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 0.508 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 -0.023 56.267 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 0.257 109.055 108.800 -0.004 0.000 2.502 34 G HA2 0.146 4.106 3.960 -0.001 0.000 0.305 34 G HA3 0.146 4.106 3.960 -0.001 0.000 0.305 34 G C -0.448 174.442 174.900 -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 -1.546 114.141 115.700 -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 0.216 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 1.115 115.646 114.554 -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 3.892 126.665 122.820 -0.077 0.000 2.606 37 A HA 0.873 5.192 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 -0.892 51.090 52.037 -0.092 0.000 0.685 37 A CB 1.195 20.138 19.000 -0.095 0.000 1.284 37 A HN 1.285 nan 8.150 nan 0.000 0.408 38 L N -1.918 119.236 121.223 -0.115 0.000 2.801 38 L HA 1.071 5.410 4.340 -0.001 0.000 0.264 38 L C -0.177 176.625 176.870 -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 0.253 108.984 108.800 -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 -1.558 173.297 174.900 -0.074 0.000 1.437 39 G CA -0.354 44.701 45.100 -0.075 0.000 0.798 39 G HN 1.181 nan 8.290 nan 0.000 0.488 40 M N -0.912 118.680 119.600 -0.014 0.000 2.605 40 M HA 0.579 5.059 4.480 -0.001 0.000 0.281 40 M C -1.617 174.718 176.300 0.058 0.000 1.166 40 M CA -1.075 54.224 55.300 -0.001 0.000 0.875 40 M CB 1.891 34.531 32.600 0.066 0.000 1.732 40 M HN 0.333 nan 8.290 nan 0.000 0.504 41 K N 1.432 121.851 120.400 0.032 0.000 2.154 41 K HA 0.731 5.050 4.320 -0.001 0.000 0.264 41 K C -1.053 175.638 176.600 0.152 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 0.572 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 0.607 5.133 4.527 -0.001 0.000 0.336 42 F C 1.161 176.981 175.800 0.034 0.000 1.255 42 F CA -0.724 57.316 58.000 0.066 0.000 0.998 42 F CB -0.337 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 0.785 123.996 122.820 0.652 0.000 1.906 43 A HA -0.344 3.975 4.320 -0.001 0.000 0.236 43 A C 1.162 178.849 177.584 0.173 0.000 1.793 43 A CA 2.855 55.115 52.037 0.372 0.000 0.813 43 A CB -1.633 17.602 19.000 0.390 0.000 0.841 43 A HN 0.846 nan 8.150 nan 0.000 0.491 44 N N -1.817 116.970 118.700 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 -0.561 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 -2.045 172.164 174.900 -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 -0.892 0.000 3.120 46 V HA 0.830 4.949 4.120 -0.001 0.000 0.303 46 V C -1.521 174.504 176.094 -0.114 0.000 1.238 46 V CA -0.429 61.557 62.300 -0.524 0.000 1.008 46 V CB 1.874 33.558 31.823 -0.231 0.000 1.064 46 V HN 1.483 nan 8.190 nan 0.000 0.434 47 L N 3.663 124.958 121.223 0.120 0.000 2.350 47 L HA 0.939 5.278 4.340 -0.001 0.000 0.260 47 L C -1.936 174.982 176.870 0.079 0.000 1.015 47 L CA -0.797 54.153 54.840 0.184 0.000 0.821 47 L CB 2.136 44.330 42.059 0.225 0.000 1.370 47 L HN 0.627 nan 8.230 nan 0.000 0.416 48 L N 2.756 124.006 121.223 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 54.474 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 1.983 122.488 120.570 -0.109 0.000 2.649 49 I HA 0.654 4.823 4.170 -0.001 0.000 0.289 49 I C -1.401 174.650 176.117 -0.109 0.000 1.222 49 I CA 0.160 61.380 61.300 -0.133 0.000 1.046 49 I CB 2.107 40.008 38.000 -0.165 0.000 1.272 49 I HN 0.478 nan 8.210 nan 0.000 0.425 50 S N 4.725 120.366 115.700 -0.098 0.000 2.542 50 S HA 0.564 5.033 4.470 -0.001 0.000 0.293 50 S C -1.323 173.237 174.600 -0.066 0.000 1.089 50 S CA -0.600 57.551 58.200 -0.081 0.000 0.961 50 S CB 1.214 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 2.556 122.922 120.400 -0.056 0.000 2.336 51 D HA 0.159 4.798 4.640 -0.001 0.000 0.249 51 D C -0.372 175.908 176.300 -0.033 0.000 1.213 51 D CA 0.060 54.035 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 4.092 124.476 120.400 -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 -0.467 55.808 56.287 -0.020 0.000 0.991 52 K CB 0.111 32.601 32.500 -0.017 0.000 1.522 52 K HN 0.239 nan 8.250 nan 0.000 0.405 53 K N 2.681 123.073 120.400 -0.013 0.000 2.284 53 K HA 0.142 4.461 4.320 -0.001 0.000 0.287 53 K C -0.529 176.068 176.600 -0.007 0.000 1.081 53 K CA -0.372 55.910 56.287 -0.009 0.000 0.910 53 K CB 1.648 34.142 32.500 -0.009 0.000 1.088 53 K HN 0.194 nan 8.250 nan 0.000 0.478 54 V N 3.224 123.136 119.914 -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 2.483 122.983 120.500 -0.001 0.000 1.747 55 R HA 0.428 4.768 4.340 -0.001 0.000 0.136 55 R C 1.026 177.326 176.300 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 29.720 30.300 -0.001 0.000 1.333 55 R HN 0.736 nan 8.270 nan 0.000 0.480 56 S N 0.223 115.923 115.700 0.000 0.000 2.576 56 S HA 0.039 4.509 4.470 -0.001 0.000 0.272 56 S C 0.850 175.451 174.600 0.001 0.000 1.352 56 S CA -0.103 58.097 58.200 0.001 0.000 1.021 56 S CB 0.464 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 1.855 122.356 120.500 0.002 0.000 2.193 57 R HA 0.049 4.388 4.340 -0.001 0.000 0.213 57 R C 1.319 177.620 176.300 0.002 0.000 1.055 57 R CA 0.544 56.646 56.100 0.002 0.000 0.995 57 R CB -0.328 29.974 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 0.033 4.372 4.340 -0.001 0.000 0.228 58 L C 0.689 177.560 176.870 0.002 0.000 1.153 58 L CA 0.784 55.625 54.840 0.002 0.000 0.851 58 L CB -0.308 41.752 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 -0.088 61.212 61.300 0.001 0.000 1.374 59 I CB 0.667 38.667 38.000 0.000 0.000 1.423 59 I HN 0.074 nan 8.210 nan 0.000 0.549 60 E N 5.050 125.251 120.200 0.002 0.000 2.545 60 E HA 0.005 4.354 4.350 -0.001 0.000 0.271 60 E C 0.809 177.411 176.600 0.002 0.000 1.508 60 E CA -0.167 56.235 56.400 0.002 0.000 1.774 60 E CB -0.151 29.551 29.700 0.002 0.000 1.460 60 E HN 0.585 nan 8.360 nan 0.000 0.449 61 Q N -0.130 119.672 119.800 0.003 0.000 2.375 61 Q HA -0.433 3.906 4.340 -0.001 0.000 0.443 61 Q C 1.258 177.259 176.000 0.002 0.000 0.608 61 Q CA 2.038 57.843 55.803 0.003 0.000 0.954 61 Q CB -1.353 27.388 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 2.433 55.485 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 0.664 116.364 115.700 -0.000 0.000 2.423 63 S HA -0.133 4.337 4.470 -0.001 0.000 0.238 63 S C 1.411 176.009 174.600 -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 -0.457 175.651 176.117 -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 3.835 124.025 120.200 -0.017 0.000 2.299 65 E HA 0.029 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 0.553 nan 8.360 nan 0.000 0.432 66 K N 2.072 122.446 120.400 -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 0.334 56.588 56.287 -0.054 0.000 0.981 66 K CB 0.487 32.956 32.500 -0.053 0.000 0.795 66 K HN 0.386 nan 8.250 nan 0.000 0.477 67 I N 2.621 123.144 120.570 -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 -0.122 61.114 61.300 -0.106 0.000 1.293 67 I CB 1.024 38.957 38.000 -0.112 0.000 1.403 67 I HN 0.118 nan 8.210 nan 0.000 0.484 68 Q N 5.975 125.708 119.800 -0.111 0.000 2.345 68 Q HA 0.577 4.917 4.340 -0.001 0.000 0.268 68 Q C -0.998 174.935 176.000 -0.112 0.000 1.054 68 Q CA -0.886 54.862 55.803 -0.091 0.000 0.835 68 Q CB 3.153 31.859 28.738 -0.055 0.000 1.339 68 Q HN 0.547 nan 8.270 nan 0.000 0.447 69 L N 2.683 123.847 121.223 -0.098 0.000 2.350 69 L HA 0.277 4.616 4.340 -0.001 0.000 0.275 69 L C 0.731 177.590 176.870 -0.018 0.000 1.099 69 L CA 0.073 54.856 54.840 -0.095 0.000 0.808 69 L CB 0.748 42.759 42.059 -0.080 0.000 1.149 69 L HN 0.704 nan 8.230 nan 0.000 0.442 70 I N 0.566 121.148 120.570 0.020 0.000 3.339 70 I HA 0.123 4.292 4.170 -0.001 0.000 0.285 70 I C -0.127 176.022 176.117 0.054 0.000 1.201 70 I CA 0.349 61.681 61.300 0.052 0.000 1.434 70 I CB 0.472 38.530 38.000 0.096 0.000 1.152 70 I HN 0.691 nan 8.210 nan 0.000 0.443 71 D N -1.280 119.170 120.400 0.083 0.000 2.728 71 D HA -0.002 4.637 4.640 -0.001 0.000 0.249 71 D C -0.246 176.166 176.300 0.187 0.000 1.225 71 D CA -0.472 53.601 54.000 0.121 0.000 0.748 71 D CB 0.712 41.586 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 -0.186 4.454 4.640 -0.001 0.000 0.209 72 D C 0.452 176.843 176.300 0.152 0.000 0.988 72 D CA 1.480 55.588 54.000 0.180 0.000 0.912 72 D CB -0.001 40.891 40.800 0.154 0.000 0.899 72 D HN 0.432 nan 8.370 nan 0.000 0.477 73 Y N -1.047 119.362 120.300 0.181 0.000 2.500 73 Y HA 0.336 4.885 4.550 -0.001 0.000 0.246 73 Y C 0.270 176.343 175.900 0.288 0.000 1.146 73 Y CA -0.440 57.776 58.100 0.193 0.000 1.230 73 Y CB 1.142 39.651 38.460 0.083 0.000 1.214 73 Y HN -0.267 nan 8.280 nan 0.000 0.526 74 V N 0.309 120.493 119.914 0.451 0.000 2.711 74 V HA 0.904 5.023 4.120 -0.001 0.000 0.304 74 V C -1.373 174.834 176.094 0.188 0.000 1.097 74 V CA -0.608 61.922 62.300 0.384 0.000 0.906 74 V CB 1.191 33.165 31.823 0.253 0.000 1.015 74 V HN 0.078 nan 8.190 nan 0.000 0.427 75 A N 5.054 127.929 122.820 0.091 0.000 2.435 75 A HA 1.111 5.430 4.320 -0.001 0.000 0.296 75 A C -0.351 177.232 177.584 -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 -0.684 0.000 1.340 75 A HN 2.376 nan 8.150 nan 0.000 0.427 76 A N -0.632 122.139 122.820 -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 51.599 52.037 -0.179 0.000 0.691 76 A CB 1.367 20.173 19.000 -0.323 0.000 1.291 76 A HN 2.118 nan 8.150 nan 0.000 0.404 77 V N 0.469 120.239 119.914 -0.239 0.000 2.789 77 V HA 0.860 4.979 4.120 -0.001 0.000 0.311 77 V C -0.293 175.677 176.094 -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 1.316 nan 8.190 nan 0.000 0.426 78 T N 3.535 117.998 114.554 -0.152 0.000 2.930 78 T HA 0.720 5.070 4.350 -0.001 0.000 0.290 78 T C -1.113 173.534 174.700 -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 70.516 68.868 -0.115 0.000 1.137 78 T HN 1.034 nan 8.240 nan 0.000 0.511 79 S N 0.763 116.420 115.700 -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 58.717 58.200 -0.047 0.000 0.963 79 S CB 0.629 63.798 63.200 -0.051 0.000 1.078 79 S HN 1.547 nan 8.310 nan 0.000 0.477 80 G N 3.102 111.894 108.800 -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 -1.752 173.151 174.900 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 2.136 123.369 121.223 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 0.212 42.285 42.059 0.023 0.000 1.216 81 L HN 0.810 nan 8.230 nan 0.000 0.481 82 V N 6.007 125.926 119.914 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 2.455 64.758 62.300 0.006 0.000 1.030 82 V CB -0.129 31.695 31.823 0.001 0.000 0.643 82 V HN 0.968 nan 8.190 nan 0.000 0.445 83 A N -0.379 122.453 122.820 0.019 0.000 1.859 83 A HA -0.319 4.000 4.320 -0.001 0.000 0.217 83 A C 1.926 179.539 177.584 0.048 0.000 1.198 83 A CA 2.489 54.543 52.037 0.028 0.000 0.629 83 A CB -1.244 17.770 19.000 0.023 0.000 0.830 83 A HN 0.673 nan 8.150 nan 0.000 0.446 84 D N -0.194 120.242 120.400 0.061 0.000 2.133 84 D HA -0.072 4.568 4.640 -0.001 0.000 0.195 84 D C 2.185 178.539 176.300 0.089 0.000 0.997 84 D CA 1.644 55.718 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 4.110 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 53.806 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 4.195 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 2.175 58.288 56.100 0.023 0.000 0.925 86 R CB -0.805 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 0.973 120.919 119.914 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 -0.622 120.596 121.223 -0.008 0.000 2.217 88 L HA -0.013 4.326 4.340 -0.001 0.000 0.211 88 L C 2.322 179.241 176.870 0.082 0.000 1.107 88 L CA 1.776 56.569 54.840 -0.078 0.000 0.783 88 L CB -0.350 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 -0.735 119.222 119.914 0.070 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 1.875 64.230 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 -0.505 119.943 120.400 0.081 0.000 2.158 90 D HA -0.212 4.428 4.640 -0.001 0.000 0.197 90 D C 1.896 178.237 176.300 0.068 0.000 0.995 90 D CA 1.447 55.485 54.000 0.065 0.000 0.846 90 D CB -0.265 40.572 40.800 0.062 0.000 0.941 90 D HN 0.454 nan 8.370 nan 0.000 0.456 91 F N 1.713 121.657 119.950 -0.010 0.000 2.069 91 F HA -0.222 4.305 4.527 -0.001 0.000 0.298 91 F C 2.233 178.021 175.800 -0.019 0.000 1.113 91 F CA 1.866 59.854 58.000 -0.019 0.000 1.214 91 F CB -0.374 38.595 39.000 -0.051 0.000 0.978 91 F HN -0.054 nan 8.300 nan 0.000 0.474 92 A N 0.583 123.403 122.820 0.000 0.000 1.908 92 A HA -0.201 4.118 4.320 -0.001 0.000 0.218 92 A C 2.336 179.832 177.584 -0.146 0.000 1.181 92 A CA 1.792 53.771 52.037 -0.096 0.000 0.627 92 A CB -0.801 18.260 19.000 0.101 0.000 0.818 92 A HN 0.489 nan 8.150 nan 0.000 0.445 93 R N -0.261 120.198 120.500 -0.069 0.000 2.082 93 R HA -0.161 4.178 4.340 -0.001 0.000 0.234 93 R C 2.298 178.535 176.300 -0.105 0.000 1.136 93 R CA 1.959 58.025 56.100 -0.056 0.000 0.935 93 R CB -0.705 29.585 30.300 -0.017 0.000 0.842 93 R HN 0.821 nan 8.270 nan 0.000 0.430 94 I N -1.864 118.618 120.570 -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 62.950 61.300 -0.154 0.000 1.404 94 I CB -0.375 37.542 38.000 -0.138 0.000 1.071 94 I HN 0.019 nan 8.210 nan 0.000 0.419 95 S N 1.221 116.685 115.700 -0.393 0.000 2.383 95 S HA -0.130 4.339 4.470 -0.001 0.000 0.229 95 S C 2.216 176.680 174.600 -0.226 0.000 1.030 95 S CA 1.414 59.366 58.200 -0.413 0.000 1.002 95 S CB -0.469 62.328 63.200 -0.671 0.000 0.829 95 S HN 0.709 nan 8.310 nan 0.000 0.467 96 A N 1.262 123.973 122.820 -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 -0.855 18.100 19.000 -0.074 0.000 0.827 96 A HN 0.529 nan 8.150 nan 0.000 0.443 97 Q N -0.075 119.683 119.800 -0.071 0.000 2.112 97 Q HA -0.261 4.078 4.340 -0.001 0.000 0.206 97 Q C 2.178 178.154 176.000 -0.040 0.000 0.987 97 Q CA 2.047 57.823 55.803 -0.046 0.000 0.858 97 Q CB -0.637 28.074 28.738 -0.044 0.000 0.905 97 Q HN 0.826 nan 8.270 nan 0.000 0.420 98 Q N 0.266 120.031 119.800 -0.060 0.000 2.045 98 Q HA -0.226 4.114 4.340 -0.001 0.000 0.206 98 Q C 2.095 178.098 176.000 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 0.103 0.000 0.988 99 E CA 1.081 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 -0.121 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 1.351 57.651 56.287 0.021 0.000 0.929 100 K CB -0.319 32.177 32.500 -0.006 0.000 0.713 100 K HN 0.089 nan 8.250 nan 0.000 0.439 101 V N 1.474 121.393 119.914 0.010 0.000 2.759 101 V HA -0.212 3.908 4.120 -0.001 0.000 0.256 101 V C 2.427 178.505 176.094 -0.026 0.000 1.080 101 V CA 2.384 64.679 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 0.583 nan 8.190 nan 0.000 0.477 102 T N -2.326 112.212 114.554 -0.026 0.000 2.925 102 T HA -0.097 4.252 4.350 -0.001 0.000 0.245 102 T C 1.711 176.288 174.700 -0.204 0.000 1.025 102 T CA 1.320 63.333 62.100 -0.145 0.000 1.149 102 T CB -0.464 68.265 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 0.387 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 0.291 58.371 58.100 -0.033 0.000 1.283 103 Y CB -0.036 38.401 38.460 -0.037 0.000 1.042 103 Y HN 0.544 nan 8.280 nan 0.000 0.547 104 G N -0.267 108.593 108.800 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 0.315 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 -1.169 114.554 115.700 0.039 0.000 2.570 105 S HA 0.471 4.941 4.470 -0.001 0.000 0.286 105 S C -1.018 173.555 174.600 -0.044 0.000 1.143 105 S CA -0.248 57.940 58.200 -0.021 0.000 0.921 105 S CB 1.053 64.230 63.200 -0.038 0.000 1.108 105 S HN 1.545 nan 8.310 nan 0.000 0.456 106 L N 7.274 128.453 121.223 -0.073 0.000 2.415 106 L HA 0.411 4.750 4.340 -0.001 0.000 0.269 106 L C 1.189 177.998 176.870 -0.102 0.000 1.244 106 L CA 0.549 55.335 54.840 -0.090 0.000 1.113 106 L CB -0.042 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 4.274 124.117 119.914 -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 1.351 63.589 62.300 -0.102 0.000 1.024 107 V CB -0.109 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 0.060 118.696 118.700 -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 1.381 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 1.916 177.906 176.117 -0.211 0.000 1.136 109 I CA 1.287 62.547 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 1.934 178.261 176.600 -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 2.156 177.517 175.510 -0.248 0.000 1.024 111 N CA 1.134 54.048 53.050 -0.226 0.000 0.852 111 N CB -0.147 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 1.248 122.306 121.223 -0.275 0.000 2.012 112 L HA -0.114 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 1.445 56.103 54.840 -0.302 0.000 0.748 112 L CB -1.091 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 -0.491 119.070 119.914 -0.589 0.000 2.343 113 V HA -0.304 3.815 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 2.171 64.065 62.300 -0.677 0.000 1.036 113 V CB -0.410 30.999 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 2.207 58.400 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 0.757 121.216 120.500 -0.068 0.000 2.080 115 R HA -0.137 4.202 4.340 -0.001 0.000 0.236 115 R C 2.267 178.655 176.300 0.148 0.000 1.137 115 R CA 1.491 57.620 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 0.779 120.777 119.914 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 2.082 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 -0.353 122.466 122.820 -0.000 0.000 1.877 117 A HA -0.227 4.092 4.320 -0.001 0.000 0.216 117 A C 1.957 179.547 177.584 0.010 0.000 1.186 117 A CA 1.980 54.023 52.037 0.009 0.000 0.620 117 A CB -0.807 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 -0.695 119.715 120.400 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 1.119 55.143 54.000 0.041 0.000 0.839 118 D CB -0.316 40.513 40.800 0.048 0.000 0.948 118 D HN 0.339 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 4.218 4.340 -0.001 0.000 0.206 119 Q C 2.270 178.298 176.000 0.048 0.000 0.991 119 Q CA 1.195 56.933 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 0.394 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 -0.172 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 1.310 56.658 55.300 0.080 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 4.133 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 1.737 57.607 55.803 0.112 0.000 0.858 121 Q CB -0.189 28.592 28.738 0.072 0.000 0.907 121 Q HN 0.622 nan 8.270 nan 0.000 0.433 122 Q N -0.819 119.122 119.800 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 1.530 57.501 55.803 0.281 0.000 0.846 122 Q CB -0.149 28.769 28.738 0.301 0.000 0.902 122 Q HN 0.480 nan 8.270 nan 0.000 0.421 123 Y N -0.150 120.225 120.300 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 -0.427 114.201 114.554 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 1.558 63.660 62.100 0.004 0.000 1.129 124 T CB -0.020 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 -0.124 28.397 28.738 -0.362 0.000 1.158 125 Q HN 0.353 nan 8.270 nan 0.000 0.490 126 Y N 3.132 123.371 120.300 -0.102 0.000 3.180 126 Y HA 0.256 4.806 4.550 -0.001 0.000 0.386 126 Y C 1.615 177.445 175.900 -0.117 0.000 1.054 126 Y CA 0.988 59.014 58.100 -0.123 0.000 2.020 126 Y CB -0.627 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 0.875 109.672 108.800 -0.005 0.000 2.685 127 G HA2 -0.388 3.571 3.960 -0.001 0.000 0.329 127 G HA3 -0.388 3.571 3.960 -0.001 0.000 0.329 127 G C 1.207 176.103 174.900 -0.006 0.000 1.271 127 G CA -0.039 45.058 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 0.497 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 -0.175 174.715 174.900 -0.016 0.000 0.655 128 G CA 1.311 46.405 45.100 -0.010 0.000 2.105 128 G HN 1.808 nan 8.290 nan 0.000 0.558 129 V N 1.604 121.516 119.914 -0.004 0.000 2.915 129 V HA 0.361 4.481 4.120 -0.001 0.000 0.273 129 V C -0.305 175.824 176.094 0.057 0.000 1.538 129 V CA -1.221 61.092 62.300 0.022 0.000 0.946 129 V CB 1.726 33.538 31.823 -0.019 0.000 1.183 129 V HN 0.719 nan 8.190 nan 0.000 0.446 130 R N 6.482 127.004 120.500 0.038 0.000 2.438 130 R HA 0.490 4.829 4.340 -0.001 0.000 0.287 130 R C -2.352 173.927 176.300 -0.035 0.000 1.077 130 R CA -0.986 55.117 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 -0.197 0.000 1.244 131 P CA 0.065 63.134 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 1.672 177.540 175.900 -0.052 0.000 1.024 132 Y CA 0.308 58.334 58.100 -0.122 0.000 1.306 132 Y CB -0.301 38.053 38.460 -0.176 0.000 1.149 132 Y HN 0.339 nan 8.280 nan 0.000 0.527 133 G N 3.548 112.392 108.800 0.075 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 -0.881 174.056 174.900 0.062 0.000 0.801 133 G CA -0.054 45.082 45.100 0.061 0.000 1.978 133 G HN 0.548 nan 8.290 nan 0.000 0.591 134 V N -0.270 119.683 119.914 0.066 0.000 3.167 134 V HA 0.820 4.939 4.120 -0.001 0.000 0.293 134 V C -1.142 174.963 176.094 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 4.175 119.870 115.700 -0.009 0.000 2.570 135 S HA 1.015 5.484 4.470 -0.001 0.000 0.286 135 S C -1.383 173.173 174.600 -0.074 0.000 1.099 135 S CA -0.575 57.612 58.200 -0.022 0.000 0.913 135 S CB 1.627 64.818 63.200 -0.015 0.000 1.085 135 S HN 1.307 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 -1.062 175.627 176.870 -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 -1.808 118.518 120.570 -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 40.106 38.000 -0.164 0.000 1.241 137 I HN 0.443 nan 8.210 nan 0.000 0.421 138 F N 4.209 124.225 119.950 0.110 0.000 2.443 138 F HA 0.858 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 1.679 124.681 122.820 0.303 0.000 2.486 139 A HA 0.955 5.274 4.320 -0.001 0.000 0.300 139 A C -0.442 177.342 177.584 0.333 0.000 1.048 139 A CA -0.136 52.054 52.037 0.255 0.000 0.696 139 A CB 1.656 20.765 19.000 0.183 0.000 1.278 139 A HN 1.254 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 -0.130 45.087 45.100 0.195 0.000 0.833 140 G HN 1.481 nan 8.290 nan 0.000 0.552 141 I N 1.567 122.176 120.570 0.064 0.000 2.406 141 I HA 0.562 4.731 4.170 -0.001 0.000 0.290 141 I C -1.094 175.076 176.117 0.088 0.000 0.999 141 I CA -0.659 60.668 61.300 0.044 0.000 1.124 141 I CB 1.410 39.408 38.000 -0.004 0.000 1.289 141 I HN 0.843 nan 8.210 nan 0.000 0.441 142 D N 5.356 125.790 120.400 0.057 0.000 2.666 142 D HA 0.141 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 41.397 40.800 0.032 0.000 1.260 142 D HN 0.464 nan 8.370 nan 0.000 0.633 143 Q N -0.668 119.122 119.800 -0.016 0.000 2.181 143 Q HA -0.031 4.308 4.340 -0.001 0.000 0.205 143 Q C 1.717 177.712 176.000 -0.007 0.000 0.980 143 Q CA 1.717 57.508 55.803 -0.021 0.000 0.862 143 Q CB -0.369 28.348 28.738 -0.034 0.000 0.905 143 Q HN 0.612 nan 8.270 nan 0.000 0.429 144 I N -1.308 119.264 120.570 0.003 0.000 2.716 144 I HA 0.168 4.337 4.170 -0.001 0.000 0.259 144 I C 1.198 177.319 176.117 0.006 0.000 1.172 144 I CA 0.577 61.883 61.300 0.009 0.000 1.478 144 I CB 0.018 38.031 38.000 0.022 0.000 1.104 144 I HN 0.332 nan 8.210 nan 0.000 0.439 145 G N 0.342 109.147 108.800 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 44.006 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 2.385 122.874 120.500 -0.019 0.000 2.725 147 R HA 0.714 5.053 4.340 -0.001 0.000 0.277 147 R C -1.397 174.869 176.300 -0.057 0.000 0.987 147 R CA -1.113 54.962 56.100 -0.041 0.000 0.901 147 R CB 1.956 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 2.670 123.725 121.223 -0.279 0.000 2.406 148 L HA 0.587 4.927 4.340 -0.001 0.000 0.272 148 L C -1.811 174.826 176.870 -0.388 0.000 0.980 148 L CA -0.311 54.420 54.840 -0.182 0.000 0.831 148 L CB 1.282 43.273 42.059 -0.114 0.000 1.253 148 L HN 0.521 nan 8.230 nan 0.000 0.406 149 F N 2.751 122.813 119.950 0.187 0.000 2.603 149 F HA 0.669 5.195 4.527 -0.001 0.000 0.317 149 F C -0.413 175.506 175.800 0.198 0.000 1.066 149 F CA -0.619 57.527 58.000 0.244 0.000 0.941 149 F CB 2.077 41.228 39.000 0.251 0.000 1.291 149 F HN 0.584 nan 8.300 nan 0.000 0.472 150 D N 0.069 120.719 120.400 0.416 0.000 2.547 150 D HA 0.528 5.167 4.640 -0.001 0.000 0.231 150 D C -1.562 174.889 176.300 0.253 0.000 1.099 150 D CA -0.491 53.626 54.000 0.195 0.000 0.901 150 D CB 1.862 42.651 40.800 -0.019 0.000 1.478 150 D HN 0.638 nan 8.370 nan 0.000 0.471 151 C N 2.083 121.474 119.300 0.151 0.000 2.782 151 C HA 0.569 5.029 4.460 -0.001 0.000 0.328 151 C C -1.450 173.589 174.990 0.081 0.000 1.145 151 C CA -0.430 58.680 59.018 0.153 0.000 1.358 151 C CB 0.972 28.848 27.740 0.225 0.000 1.841 151 C HN 0.787 nan 8.230 nan 0.000 0.477 152 D N 4.140 124.587 120.400 0.078 0.000 2.442 152 D HA 0.466 5.106 4.640 -0.001 0.000 0.254 152 D C -2.288 174.046 176.300 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 41.679 40.800 0.056 0.000 1.172 152 D HN 0.194 nan 8.370 nan 0.000 0.561 153 P HA -0.024 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 1.871 65.011 63.100 0.067 0.000 0.783 153 P CB 0.055 31.793 31.700 0.064 0.000 0.771 154 A N -1.060 121.790 122.820 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 1.064 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 -1.683 107.151 108.800 0.057 0.000 2.157 155 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.239 155 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.239 155 G C 0.327 175.262 174.900 0.058 0.000 0.982 155 G CA 0.317 45.450 45.100 0.056 0.000 0.650 155 G HN 0.639 nan 8.290 nan 0.000 0.527 156 T N 1.142 115.734 114.554 0.064 0.000 2.884 156 T HA 0.551 4.900 4.350 -0.001 0.000 0.298 156 T C 0.282 175.045 174.700 0.104 0.000 0.998 156 T CA 0.542 62.685 62.100 0.072 0.000 1.124 156 T CB 1.986 70.894 68.868 0.067 0.000 0.931 156 T HN 0.777 nan 8.240 nan 0.000 0.531 157 I N 2.598 123.236 120.570 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 -0.877 60.527 61.300 0.172 0.000 1.053 157 I CB 1.906 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 4.561 123.447 118.700 0.311 0.000 2.331 158 N HA 0.332 5.072 4.740 -0.001 0.000 0.280 158 N C -1.846 173.816 175.510 0.254 0.000 1.155 158 N CA -0.840 52.332 53.050 0.202 0.000 0.822 158 N CB 1.942 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 1.056 121.236 120.200 -0.034 0.000 2.216 159 E HA 0.354 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 -0.350 55.838 56.400 -0.353 0.000 0.817 159 E CB 0.707 30.083 29.700 -0.541 0.000 1.096 159 E HN 0.427 nan 8.360 nan 0.000 0.393 160 Y N 2.324 122.453 120.300 -0.285 0.000 2.650 160 Y HA 0.291 4.841 4.550 -0.001 0.000 0.331 160 Y C 0.867 176.635 175.900 -0.219 0.000 1.082 160 Y CA -0.897 57.081 58.100 -0.203 0.000 1.171 160 Y CB 1.152 39.511 38.460 -0.167 0.000 1.326 160 Y HN 0.494 nan 8.280 nan 0.000 0.513 161 K N 0.502 120.882 120.400 -0.033 0.000 2.335 161 K HA 0.649 4.969 4.320 -0.001 0.000 0.195 161 K C -0.857 175.568 176.600 -0.292 0.000 1.058 161 K CA 0.719 56.927 56.287 -0.132 0.000 0.988 161 K CB 0.679 33.100 32.500 -0.132 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 0.541 4.861 4.320 -0.001 0.000 0.296 162 A C -0.897 176.564 177.584 -0.205 0.000 1.050 162 A CA -0.256 51.589 52.037 -0.321 0.000 0.697 162 A CB 1.071 19.664 19.000 -0.678 0.000 1.277 162 A HN 0.017 nan 8.150 nan 0.000 0.411 163 T N -0.923 113.476 114.554 -0.258 0.000 2.686 163 T HA 0.862 5.211 4.350 -0.001 0.000 0.308 163 T C -1.180 173.353 174.700 -0.279 0.000 1.667 163 T CA 0.679 62.566 62.100 -0.355 0.000 0.987 163 T CB 1.066 69.369 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 -1.698 175.784 177.584 -0.170 0.000 1.151 164 A CA -0.601 51.327 52.037 -0.183 0.000 0.695 164 A CB 1.545 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 -2.180 118.316 120.570 -0.124 0.000 3.021 165 I HA 0.675 4.845 4.170 -0.001 0.000 0.305 165 I C 0.378 176.453 176.117 -0.070 0.000 1.434 165 I CA 1.225 62.467 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 2.312 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 -0.158 3.801 3.960 -0.001 0.000 0.212 166 G HA3 -0.158 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 -0.134 115.555 115.700 -0.019 0.000 2.361 167 S HA 0.105 4.575 4.470 -0.001 0.000 0.214 167 S C 2.231 176.827 174.600 -0.007 0.000 1.034 167 S CA 2.405 60.599 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 2.084 nan 8.310 nan 0.000 0.422 168 G N 1.327 110.121 108.800 -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 -0.141 4.179 4.320 -0.001 0.000 0.214 169 K C 1.828 178.427 176.600 -0.002 0.000 1.049 169 K CA 1.670 57.944 56.287 -0.021 0.000 0.939 169 K CB -0.160 32.325 32.500 -0.025 0.000 0.721 169 K HN 0.225 nan 8.250 nan 0.000 0.441 170 D N 0.446 120.853 120.400 0.011 0.000 2.157 170 D HA -0.252 4.387 4.640 -0.001 0.000 0.191 170 D C 1.803 178.125 176.300 0.037 0.000 1.004 170 D CA 1.652 55.666 54.000 0.025 0.000 0.854 170 D CB -0.178 40.638 40.800 0.026 0.000 0.936 170 D HN 0.449 nan 8.370 nan 0.000 0.446 171 A N 1.098 123.940 122.820 0.037 0.000 1.828 171 A HA -0.138 4.181 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 1.654 53.726 52.037 0.059 0.000 0.614 171 A CB -1.162 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 -0.396 119.550 119.914 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 2.591 64.912 62.300 0.036 0.000 1.042 172 V CB -0.415 31.383 31.823 -0.041 0.000 0.650 172 V HN 0.383 nan 8.190 nan 0.000 0.450 173 V N -0.153 119.779 119.914 0.031 0.000 2.332 173 V HA -0.235 3.885 4.120 -0.001 0.000 0.248 173 V C 2.627 178.774 176.094 0.087 0.000 1.055 173 V CA 2.857 65.177 62.300 0.032 0.000 1.038 173 V CB -0.294 31.537 31.823 0.013 0.000 0.651 173 V HN 0.745 nan 8.190 nan 0.000 0.450 174 S N -0.206 115.556 115.700 0.103 0.000 2.368 174 S HA -0.156 4.313 4.470 -0.001 0.000 0.224 174 S C 1.696 176.402 174.600 0.176 0.000 1.029 174 S CA 1.690 59.956 58.200 0.111 0.000 0.988 174 S CB -0.519 62.730 63.200 0.081 0.000 0.838 174 S HN 0.715 nan 8.310 nan 0.000 0.462 175 F N 2.920 122.886 119.950 0.026 0.000 2.069 175 F HA -0.133 4.393 4.527 -0.001 0.000 0.298 175 F C 1.815 177.649 175.800 0.056 0.000 1.113 175 F CA 1.130 59.151 58.000 0.035 0.000 1.214 175 F CB -0.722 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 0.568 122.052 121.223 0.435 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 2.151 57.178 54.840 0.312 0.000 0.749 176 L CB -1.939 40.186 42.059 0.111 0.000 0.890 176 L HN 0.238 nan 8.230 nan 0.000 0.431 177 E N 0.074 120.378 120.200 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 1.841 58.318 56.400 0.129 0.000 0.819 177 E CB -0.040 29.716 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 0.083 4.423 4.340 -0.001 0.000 0.218 178 R C 1.383 177.753 176.300 0.116 0.000 1.188 178 R CA 1.027 57.181 56.100 0.090 0.000 0.992 178 R CB -0.045 30.262 30.300 0.011 0.000 0.883 178 R HN 0.091 nan 8.270 nan 0.000 0.444 179 E N 0.272 120.578 120.200 0.177 0.000 2.403 179 E HA -0.052 4.298 4.350 -0.001 0.000 0.188 179 E C -0.916 175.834 176.600 0.250 0.000 1.056 179 E CA -0.316 56.205 56.400 0.202 0.000 0.892 179 E CB 0.233 30.073 29.700 0.234 0.000 1.049 179 E HN 0.241 nan 8.360 nan 0.000 0.465 180 Y N 2.024 122.411 120.300 0.146 0.000 2.465 180 Y HA 0.118 4.667 4.550 -0.001 0.000 0.331 180 Y C -0.198 175.750 175.900 0.080 0.000 1.102 180 Y CA -0.417 57.747 58.100 0.107 0.000 1.358 180 Y CB 0.454 38.966 38.460 0.087 0.000 1.213 180 Y HN -0.314 nan 8.280 nan 0.000 0.525 181 K N 5.603 125.578 120.400 -0.708 0.000 2.316 181 K HA 0.181 4.500 4.320 -0.001 0.000 0.267 181 K C 0.653 176.769 176.600 -0.806 0.000 1.025 181 K CA -0.394 55.564 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 3.345 123.231 120.200 -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 2.327 58.593 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 -0.219 118.450 118.700 -0.052 0.000 2.758 183 N HA 0.173 4.913 4.740 -0.001 0.000 0.293 183 N C -1.166 174.358 175.510 0.024 0.000 1.273 183 N CA -0.469 52.594 53.050 0.021 0.000 1.022 183 N CB 0.208 38.713 38.487 0.030 0.000 1.334 183 N HN 0.108 nan 8.380 nan 0.000 0.519 184 L N 1.550 122.767 121.223 -0.010 0.000 2.534 184 L HA 0.223 4.563 4.340 -0.001 0.000 0.271 184 L C -2.225 174.656 176.870 0.017 0.000 1.178 184 L CA -1.692 53.137 54.840 -0.018 0.000 0.907 184 L CB 0.205 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 -0.089 62.971 63.100 -0.067 0.000 0.771 185 P CB 0.584 32.264 31.700 -0.034 0.000 0.858 186 E N 3.496 123.367 120.200 -0.549 0.000 2.170 186 E HA -0.403 3.947 4.350 -0.001 0.000 0.229 186 E C 1.662 178.019 176.600 -0.406 0.000 1.074 186 E CA 2.187 58.050 56.400 -0.894 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 0.037 120.348 120.400 -0.149 0.000 2.044 187 K HA -0.238 4.081 4.320 -0.001 0.000 0.210 187 K C 2.085 178.713 176.600 0.046 0.000 1.049 187 K CA 2.124 58.444 56.287 0.054 0.000 0.927 187 K CB -0.063 32.500 32.500 0.105 0.000 0.713 187 K HN 0.262 nan 8.250 nan 0.000 0.443 188 E N -0.423 119.763 120.200 -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 0.744 57.139 56.400 -0.009 0.000 0.818 188 E CB -0.035 29.654 29.700 -0.017 0.000 0.758 188 E HN 0.408 nan 8.360 nan 0.000 0.467 189 A N 1.391 124.141 122.820 -0.117 0.000 1.877 189 A HA -0.151 4.169 4.320 -0.001 0.000 0.216 189 A C 2.468 179.988 177.584 -0.108 0.000 1.186 189 A CA 1.457 53.436 52.037 -0.096 0.000 0.620 189 A CB -0.939 17.968 19.000 -0.155 0.000 0.822 189 A HN 0.224 nan 8.150 nan 0.000 0.443 190 V N -0.112 119.678 119.914 -0.208 0.000 2.392 190 V HA -0.215 3.904 4.120 -0.001 0.000 0.249 190 V C 2.314 178.303 176.094 -0.174 0.000 1.059 190 V CA 3.244 65.374 62.300 -0.282 0.000 1.051 190 V CB -1.136 30.352 31.823 -0.558 0.000 0.658 190 V HN 0.605 nan 8.190 nan 0.000 0.455 191 T N 1.385 115.913 114.554 -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 2.129 64.262 62.100 0.055 0.000 1.166 191 T CB -0.625 68.314 68.868 0.119 0.000 0.863 191 T HN 0.481 nan 8.240 nan 0.000 0.415 192 L N 1.602 122.819 121.223 -0.010 0.000 2.064 192 L HA -0.099 4.241 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 2.379 57.202 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 -0.126 0.000 2.484 193 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.215 193 G HA3 -0.317 3.643 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 0.934 45.934 45.100 -0.167 0.000 0.791 193 G HN 0.528 nan 8.290 nan 0.000 0.550 194 I N 0.344 120.826 120.570 -0.146 0.000 2.315 194 I HA -0.173 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 0.846 121.176 120.400 -0.117 0.000 2.001 195 K HA -0.184 4.135 4.320 -0.001 0.000 0.208 195 K C 2.141 178.583 176.600 -0.264 0.000 1.048 195 K CA 1.457 57.696 56.287 -0.081 0.000 0.932 195 K CB -0.218 32.293 32.500 0.018 0.000 0.715 195 K HN 0.414 nan 8.250 nan 0.000 0.437 196 A N 1.444 123.825 122.820 -0.732 0.000 1.883 196 A HA -0.184 4.135 4.320 -0.001 0.000 0.217 196 A C 2.077 179.449 177.584 -0.353 0.000 1.186 196 A CA 1.600 52.995 52.037 -1.071 0.000 0.624 196 A CB -0.719 17.650 19.000 -1.052 0.000 0.822 196 A HN 0.423 nan 8.150 nan 0.000 0.444 197 L N -0.330 120.751 121.223 -0.236 0.000 2.046 197 L HA -0.131 4.208 4.340 -0.001 0.000 0.208 197 L C 2.169 179.002 176.870 -0.061 0.000 1.077 197 L CA 2.523 57.290 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 -0.227 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 -0.419 32.095 32.500 0.023 0.000 0.732 198 K HN 0.616 nan 8.250 nan 0.000 0.444 199 S N 0.579 116.335 115.700 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 2.198 60.484 58.200 0.144 0.000 1.159 199 S CB -1.243 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 4.393 4.470 -0.001 0.000 0.226 200 S C 1.816 176.435 174.600 0.031 0.000 1.062 200 S CA 1.390 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 0.046 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 1.572 56.417 54.840 0.008 0.000 0.798 201 L CB -1.534 40.523 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 2.441 202 E HA -0.111 4.238 4.350 -0.001 0.000 0.210 202 E C 1.567 178.181 176.600 0.024 0.000 1.306 202 E CA 0.002 56.416 56.400 0.023 0.000 1.307 202 E CB -0.425 29.292 29.700 0.028 0.000 1.297 202 E HN 0.338 nan 8.360 nan 0.000 0.440 203 E N -0.299 119.914 120.200 0.020 0.000 2.152 203 E HA -0.063 4.287 4.350 -0.001 0.000 0.192 203 E C 1.077 177.686 176.600 0.015 0.000 0.983 203 E CA 0.783 57.194 56.400 0.019 0.000 0.818 203 E CB 0.031 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 1.070 109.878 108.800 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 0.526 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 0.481 120.689 120.200 0.014 0.000 4.217 205 E HA -0.356 3.993 4.350 -0.001 0.000 0.199 205 E C 0.656 177.265 176.600 0.015 0.000 1.296 205 E CA 2.111 58.520 56.400 0.016 0.000 2.222 205 E CB -1.381 28.327 29.700 0.014 0.000 1.890 205 E HN 0.538 nan 8.360 nan 0.000 0.299 206 E N 0.345 120.553 120.200 0.012 0.000 2.415 206 E HA 0.077 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 0.259 29.965 29.700 0.010 0.000 0.961 206 E HN 0.400 nan 8.360 nan 0.000 0.459 207 L N 5.209 126.439 121.223 0.012 0.000 2.395 207 L HA 0.028 4.367 4.340 -0.001 0.000 0.218 207 L C 0.758 177.631 176.870 0.005 0.000 1.130 207 L CA 1.237 56.081 54.840 0.008 0.000 0.826 207 L CB -0.810 41.256 42.059 0.011 0.000 0.941 207 L HN 0.760 nan 8.230 nan 0.000 0.451 208 K N -0.629 119.776 120.400 0.009 0.000 1.860 208 K HA -0.247 4.072 4.320 -0.001 0.000 0.320 208 K C -0.212 176.395 176.600 0.011 0.000 1.716 208 K CA 1.662 57.954 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 1.725 124.550 122.820 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 0.851 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 0.249 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 -0.227 62.858 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 1.798 121.969 120.200 -0.049 0.000 2.133 211 E HA 0.523 4.872 4.350 -0.001 0.000 0.274 211 E C -1.193 175.350 176.600 -0.096 0.000 0.930 211 E CA -0.640 55.731 56.400 -0.049 0.000 0.770 211 E CB 0.605 30.279 29.700 -0.043 0.000 1.104 211 E HN 0.358 nan 8.360 nan 0.000 0.403 212 I N 2.797 123.293 120.570 -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 -0.239 0.000 1.114 212 I CA -0.501 60.640 61.300 -0.266 0.000 1.038 212 I CB 1.708 39.406 38.000 -0.503 0.000 1.238 212 I HN 0.645 nan 8.210 nan 0.000 0.420 213 A N 4.522 127.232 122.820 -0.183 0.000 2.587 213 A HA 0.899 5.218 4.320 -0.001 0.000 0.293 213 A C -1.201 176.480 177.584 0.162 0.000 1.087 213 A CA -0.166 51.909 52.037 0.064 0.000 0.692 213 A CB 1.907 20.962 19.000 0.091 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 0.818 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 1.751 nan 8.310 nan 0.000 0.464 215 I N 0.703 121.122 120.570 -0.253 0.000 2.894 215 I HA 0.750 4.920 4.170 -0.001 0.000 0.302 215 I C -1.350 174.638 176.117 -0.216 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 -1.127 0.000 1.242 215 I HN 0.943 nan 8.210 nan 0.000 0.430 216 T N 4.897 119.372 114.554 -0.133 0.000 2.893 216 T HA 0.344 4.694 4.350 -0.001 0.000 0.293 216 T C -0.854 173.806 174.700 -0.066 0.000 1.027 216 T CA -0.357 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 0.514 nan 8.240 nan 0.000 0.461 217 V N 4.958 124.838 119.914 -0.057 0.000 2.790 217 V HA 0.353 4.472 4.120 -0.001 0.000 0.304 217 V C 1.633 177.733 176.094 0.010 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 1.560 nan 8.190 nan 0.000 0.504 218 G N 4.450 113.275 108.800 0.042 0.000 2.254 218 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.225 218 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.225 218 G C 0.070 175.004 174.900 0.057 0.000 1.003 218 G CA 0.321 45.451 45.100 0.051 0.000 0.622 218 G HN 1.427 nan 8.290 nan 0.000 0.507 219 N N -0.537 118.169 118.700 0.009 0.000 3.204 219 N HA 0.470 5.209 4.740 -0.001 0.000 0.285 219 N C -0.597 174.742 175.510 -0.285 0.000 1.536 219 N CA -0.893 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 0.279 nan 8.380 nan 0.000 0.586 220 K N -0.612 119.552 120.400 -0.392 0.000 2.120 220 K HA 0.199 4.519 4.320 -0.001 0.000 0.245 220 K C -0.568 175.885 176.600 -0.246 0.000 1.024 220 K CA -0.314 55.650 56.287 -0.538 0.000 0.906 220 K CB 0.324 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 1.005 121.183 120.300 -0.203 0.000 2.480 221 Y HA 0.009 4.559 4.550 -0.001 0.000 0.338 221 Y C 0.556 176.442 175.900 -0.024 0.000 1.220 221 Y CA 0.525 58.585 58.100 -0.068 0.000 1.430 221 Y CB 0.676 39.114 38.460 -0.036 0.000 1.311 221 Y HN 0.387 nan 8.280 nan 0.000 0.575 222 R N 4.907 125.566 120.500 0.266 0.000 2.476 222 R HA 0.491 4.830 4.340 -0.001 0.000 0.305 222 R C -1.740 174.729 176.300 0.281 0.000 0.965 222 R CA -0.482 55.734 56.100 0.194 0.000 0.867 222 R CB 0.569 30.939 30.300 0.117 0.000 1.176 222 R HN 0.737 nan 8.270 nan 0.000 0.447 223 I N 5.138 125.825 120.570 0.196 0.000 2.325 223 I HA 0.183 4.352 4.170 -0.001 0.000 0.291 223 I C -0.374 175.892 176.117 0.248 0.000 1.019 223 I CA -0.805 60.617 61.300 0.203 0.000 1.302 223 I CB 0.688 38.746 38.000 0.096 0.000 1.401 223 I HN 0.530 nan 8.210 nan 0.000 0.485 224 Y N 5.262 125.576 120.300 0.023 0.000 2.526 224 Y HA -0.012 4.538 4.550 -0.001 0.000 0.330 224 Y C 0.967 176.884 175.900 0.029 0.000 1.156 224 Y CA -0.826 57.288 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 0.530 nan 8.280 nan 0.000 0.540 225 D N 2.608 123.079 120.400 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 -0.448 53.601 54.000 0.083 0.000 0.925 225 D CB 1.054 41.876 40.800 0.036 0.000 1.188 225 D HN 0.741 nan 8.370 nan 0.000 0.430 226 Q N 0.530 120.375 119.800 0.075 0.000 2.124 226 Q HA -0.329 4.010 4.340 -0.001 0.000 0.215 226 Q C 1.250 177.298 176.000 0.080 0.000 1.015 226 Q CA 2.408 58.253 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 0.338 120.576 120.200 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 1.409 57.842 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 -0.197 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 1.341 57.862 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 0.322 0.000 1.047 229 V CA 2.340 64.874 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 -0.254 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 1.793 58.147 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 -0.353 120.088 120.400 0.068 0.000 2.097 231 K HA -0.116 4.203 4.320 -0.001 0.000 0.205 231 K C 1.326 177.777 176.600 -0.247 0.000 1.050 231 K CA 1.291 57.496 56.287 -0.137 0.000 0.938 231 K CB 0.009 32.342 32.500 -0.279 0.000 0.718 231 K HN 0.080 nan 8.250 nan 0.000 0.442 232 F N 0.596 120.568 119.950 0.036 0.000 2.569 232 F HA 0.101 4.628 4.527 -0.001 0.000 0.295 232 F C 1.078 176.884 175.800 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 0.105 0.000 0.813 233 L CB 0.000 42.111 42.059 0.087 0.000 0.961 233 L HN 0.000 nan 8.230 nan 0.000 0.502