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 1xtq_1_A DATA FIRST_RESID 3 DATA SEQUENCE QSKSRKIAIL GYRSVGKSSL TIQFVEGQFV DSYDPTIENT FTKLITVNGQ DATA SEQUENCE EYHLQLVDTA GQDEYSIFPQ TYSIDINGYI LVYSVTSIKS FEVIKVIHGK DATA SEQUENCE LLDMVGKVQI PIMLVGNKKD LHMERVISYE EGKALAESWN AAFLESSAKE DATA SEQUENCE NQTAVDVFRR IILEAEKLE 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 3 Q HA 0.000 nan 4.340 nan 0.000 0.214 3 Q C 0.000 175.936 176.000 -0.107 0.000 1.003 3 Q CA 0.000 55.770 55.803 -0.055 0.000 1.022 3 Q CB 0.000 28.707 28.738 -0.051 0.000 1.108 4 S N 0.625 116.260 115.700 -0.107 0.000 2.730 4 S HA 0.722 5.191 4.470 -0.001 0.000 0.284 4 S C -0.370 174.114 174.600 -0.193 0.000 1.153 4 S CA -0.655 57.407 58.200 -0.230 0.000 0.995 4 S CB 2.194 65.207 63.200 -0.312 0.000 1.058 4 S HN 0.299 nan 8.310 nan 0.000 0.552 5 K N 0.922 121.154 120.400 -0.279 0.000 2.541 5 K HA 0.391 4.710 4.320 -0.001 0.000 0.250 5 K C -1.056 175.576 176.600 0.053 0.000 0.950 5 K CA -0.355 55.861 56.287 -0.119 0.000 0.805 5 K CB 1.718 34.082 32.500 -0.227 0.000 1.166 5 K HN 0.868 nan 8.250 nan 0.000 0.430 6 S N 3.961 119.744 115.700 0.137 0.000 2.508 6 S HA 0.585 5.054 4.470 -0.001 0.000 0.284 6 S C -0.356 174.347 174.600 0.172 0.000 1.192 6 S CA -0.896 57.423 58.200 0.199 0.000 1.070 6 S CB 1.296 64.604 63.200 0.180 0.000 1.004 6 S HN 0.493 nan 8.310 nan 0.000 0.493 7 R N 1.406 122.011 120.500 0.175 0.000 2.725 7 R HA 0.483 4.822 4.340 -0.001 0.000 0.277 7 R C -1.149 175.203 176.300 0.085 0.000 0.987 7 R CA -0.668 55.504 56.100 0.120 0.000 0.901 7 R CB 2.202 32.572 30.300 0.117 0.000 1.207 7 R HN 0.826 nan 8.270 nan 0.000 0.463 8 K N 2.787 123.210 120.400 0.039 0.000 2.307 8 K HA 0.525 4.844 4.320 -0.001 0.000 0.263 8 K C -0.776 175.797 176.600 -0.046 0.000 0.973 8 K CA -0.441 55.854 56.287 0.013 0.000 0.846 8 K CB 0.952 33.452 32.500 -0.001 0.000 1.100 8 K HN 0.489 nan 8.250 nan 0.000 0.438 9 I N 3.295 123.854 120.570 -0.019 0.000 2.406 9 I HA 0.373 4.542 4.170 -0.001 0.000 0.290 9 I C -0.407 175.661 176.117 -0.082 0.000 0.999 9 I CA -0.813 60.448 61.300 -0.066 0.000 1.124 9 I CB 2.039 40.072 38.000 0.056 0.000 1.289 9 I HN 0.631 nan 8.210 nan 0.000 0.441 10 A N 7.147 129.826 122.820 -0.235 0.000 2.292 10 A HA 0.802 5.121 4.320 -0.001 0.000 0.319 10 A C -0.697 176.835 177.584 -0.087 0.000 1.206 10 A CA -0.394 51.531 52.037 -0.187 0.000 0.835 10 A CB 0.377 19.190 19.000 -0.311 0.000 1.164 10 A HN 0.570 nan 8.150 nan 0.000 0.505 11 I N 3.091 123.632 120.570 -0.048 0.000 2.312 11 I HA 0.367 4.536 4.170 -0.001 0.000 0.290 11 I C -0.104 175.979 176.117 -0.055 0.000 1.008 11 I CA 0.398 61.687 61.300 -0.019 0.000 1.226 11 I CB 0.992 39.013 38.000 0.036 0.000 1.371 11 I HN 0.523 nan 8.210 nan 0.000 0.468 12 L N 5.262 126.471 121.223 -0.024 0.000 2.304 12 L HA 1.042 5.381 4.340 -0.001 0.000 0.268 12 L C 0.391 177.300 176.870 0.066 0.000 1.010 12 L CA -0.801 54.017 54.840 -0.036 0.000 0.813 12 L CB 1.969 44.000 42.059 -0.047 0.000 1.315 12 L HN 0.756 nan 8.230 nan 0.000 0.445 13 G N -0.639 108.226 108.800 0.108 0.000 2.345 13 G HA2 0.112 4.071 3.960 -0.001 0.000 0.310 13 G HA3 0.112 4.071 3.960 -0.001 0.000 0.310 13 G C -2.116 172.932 174.900 0.247 0.000 1.476 13 G CA -0.797 44.421 45.100 0.197 0.000 0.978 13 G HN 0.348 nan 8.290 nan 0.000 0.656 14 Y N 1.570 121.962 120.300 0.153 0.000 2.511 14 Y HA 0.463 5.013 4.550 -0.001 0.000 0.347 14 Y C 1.739 177.716 175.900 0.128 0.000 1.257 14 Y CA 0.146 58.334 58.100 0.147 0.000 1.469 14 Y CB 0.586 39.142 38.460 0.160 0.000 1.353 14 Y HN 0.791 nan 8.280 nan 0.000 0.617 15 R N 1.614 121.866 120.500 -0.414 0.000 2.679 15 R HA 0.218 4.558 4.340 -0.001 0.000 0.268 15 R C 0.383 176.596 176.300 -0.145 0.000 1.044 15 R CA 0.558 56.494 56.100 -0.273 0.000 1.105 15 R CB 0.037 30.122 30.300 -0.358 0.000 0.989 15 R HN 0.834 nan 8.270 nan 0.000 0.447 16 S N -0.258 115.432 115.700 -0.017 0.000 3.127 16 S HA -0.187 4.282 4.470 -0.001 0.000 0.281 16 S C 1.010 175.668 174.600 0.096 0.000 1.293 16 S CA 0.900 59.127 58.200 0.045 0.000 1.156 16 S CB -1.985 61.236 63.200 0.035 0.000 1.389 16 S HN 0.795 nan 8.310 nan 0.000 0.672 17 V N -1.217 118.770 119.914 0.122 0.000 3.217 17 V HA 0.528 4.647 4.120 -0.001 0.000 0.264 17 V C 1.632 177.774 176.094 0.081 0.000 1.135 17 V CA 1.423 63.802 62.300 0.133 0.000 1.142 17 V CB -0.511 31.421 31.823 0.181 0.000 0.754 17 V HN 1.684 nan 8.190 nan 0.000 0.484 18 G N 0.165 109.014 108.800 0.081 0.000 2.141 18 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.164 18 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.164 18 G C 0.518 175.451 174.900 0.055 0.000 1.009 18 G CA 0.250 45.393 45.100 0.071 0.000 0.677 18 G HN 0.470 nan 8.290 nan 0.000 0.508 19 K N 0.507 120.944 120.400 0.062 0.000 2.009 19 K HA -0.077 4.242 4.320 -0.001 0.000 0.210 19 K C 2.614 179.233 176.600 0.031 0.000 1.049 19 K CA 1.843 58.161 56.287 0.053 0.000 0.929 19 K CB -0.266 32.275 32.500 0.068 0.000 0.714 19 K HN 0.308 nan 8.250 nan 0.000 0.440 20 S N 0.817 116.539 115.700 0.036 0.000 2.355 20 S HA -0.097 4.372 4.470 -0.001 0.000 0.222 20 S C 2.143 176.631 174.600 -0.188 0.000 1.031 20 S CA 1.399 59.555 58.200 -0.073 0.000 0.993 20 S CB -0.156 63.059 63.200 0.025 0.000 0.859 20 S HN 0.224 nan 8.310 nan 0.000 0.453 21 S N 1.596 117.254 115.700 -0.071 0.000 2.382 21 S HA 0.043 4.512 4.470 -0.001 0.000 0.228 21 S C 1.747 176.366 174.600 0.032 0.000 1.027 21 S CA 0.691 58.881 58.200 -0.017 0.000 0.991 21 S CB -0.345 62.934 63.200 0.131 0.000 0.823 21 S HN 0.337 nan 8.310 nan 0.000 0.469 22 L N 1.022 122.268 121.223 0.039 0.000 2.044 22 L HA -0.117 4.222 4.340 -0.001 0.000 0.205 22 L C 2.491 179.435 176.870 0.124 0.000 1.075 22 L CA 1.335 56.225 54.840 0.084 0.000 0.747 22 L CB -0.902 41.196 42.059 0.066 0.000 0.903 22 L HN 0.327 nan 8.230 nan 0.000 0.435 23 T N 0.326 114.905 114.554 0.042 0.000 2.652 23 T HA -0.208 4.141 4.350 -0.001 0.000 0.267 23 T C 1.861 176.336 174.700 -0.375 0.000 1.039 23 T CA 1.624 63.653 62.100 -0.119 0.000 1.153 23 T CB -0.254 68.429 68.868 -0.308 0.000 0.863 23 T HN 0.231 nan 8.240 nan 0.000 0.428 24 I N 1.093 121.389 120.570 -0.457 0.000 2.361 24 I HA -0.190 3.979 4.170 -0.001 0.000 0.251 24 I C 2.785 178.796 176.117 -0.176 0.000 1.133 24 I CA 1.114 62.171 61.300 -0.405 0.000 1.413 24 I CB -0.355 37.422 38.000 -0.373 0.000 1.073 24 I HN 0.223 nan 8.210 nan 0.000 0.424 25 Q N 1.067 120.833 119.800 -0.057 0.000 2.124 25 Q HA -0.244 4.095 4.340 -0.001 0.000 0.202 25 Q C 2.011 178.037 176.000 0.044 0.000 0.977 25 Q CA 1.919 57.743 55.803 0.036 0.000 0.850 25 Q CB -0.451 28.349 28.738 0.103 0.000 0.901 25 Q HN 0.480 nan 8.270 nan 0.000 0.429 26 F N -0.463 119.397 119.950 -0.150 0.000 2.098 26 F HA -0.061 4.465 4.527 -0.001 0.000 0.294 26 F C 1.819 177.473 175.800 -0.243 0.000 1.107 26 F CA 1.356 59.232 58.000 -0.208 0.000 1.234 26 F CB -0.728 38.018 39.000 -0.422 0.000 1.002 26 F HN -0.030 nan 8.300 nan 0.000 0.472 27 V N 0.868 120.474 119.914 -0.514 0.000 2.255 27 V HA -0.291 3.828 4.120 -0.001 0.000 0.247 27 V C 1.892 177.801 176.094 -0.310 0.000 1.051 27 V CA 2.537 64.520 62.300 -0.528 0.000 1.018 27 V CB -0.763 30.861 31.823 -0.331 0.000 0.641 27 V HN 0.402 nan 8.190 nan 0.000 0.445 28 E N -0.501 119.587 120.200 -0.186 0.000 2.481 28 E HA 0.293 4.642 4.350 -0.001 0.000 0.198 28 E C 1.479 178.031 176.600 -0.080 0.000 1.027 28 E CA 0.538 56.876 56.400 -0.104 0.000 0.900 28 E CB 0.522 30.193 29.700 -0.049 0.000 0.993 28 E HN 0.611 nan 8.360 nan 0.000 0.482 29 G N 2.066 110.816 108.800 -0.084 0.000 2.225 29 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.267 29 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.267 29 G C 0.057 174.960 174.900 0.005 0.000 1.024 29 G CA 0.734 45.815 45.100 -0.031 0.000 0.784 29 G HN 0.242 nan 8.290 nan 0.000 0.507 30 Q N -1.400 118.406 119.800 0.011 0.000 2.397 30 Q HA 0.683 5.023 4.340 -0.001 0.000 0.275 30 Q C -0.780 175.278 176.000 0.096 0.000 1.090 30 Q CA -1.004 54.826 55.803 0.046 0.000 0.809 30 Q CB 1.328 30.074 28.738 0.013 0.000 1.362 30 Q HN 0.398 nan 8.270 nan 0.000 0.431 31 F N 4.324 124.258 119.950 -0.028 0.000 2.406 31 F HA 0.458 4.984 4.527 -0.001 0.000 0.358 31 F C -0.395 175.393 175.800 -0.020 0.000 1.161 31 F CA -0.860 57.123 58.000 -0.028 0.000 1.185 31 F CB 0.362 39.351 39.000 -0.019 0.000 1.421 31 F HN 0.387 nan 8.300 nan 0.000 0.576 32 V N 6.601 126.287 119.914 -0.380 0.000 2.740 32 V HA -0.063 4.056 4.120 -0.001 0.000 0.303 32 V C 0.831 176.537 176.094 -0.646 0.000 1.054 32 V CA 0.615 62.691 62.300 -0.373 0.000 1.106 32 V CB 1.260 32.951 31.823 -0.219 0.000 0.957 32 V HN 0.917 nan 8.190 nan 0.000 0.486 33 D N 2.935 123.102 120.400 -0.389 0.000 2.262 33 D HA 0.022 4.661 4.640 -0.001 0.000 0.212 33 D C 0.714 176.916 176.300 -0.163 0.000 0.964 33 D CA 0.828 54.630 54.000 -0.330 0.000 0.875 33 D CB 0.770 41.471 40.800 -0.167 0.000 0.996 33 D HN 0.559 nan 8.370 nan 0.000 0.497 34 S N -1.095 114.560 115.700 -0.074 0.000 2.513 34 S HA 0.532 5.001 4.470 -0.001 0.000 0.299 34 S C -1.677 172.997 174.600 0.125 0.000 1.087 34 S CA -0.603 57.603 58.200 0.010 0.000 1.012 34 S CB 1.219 64.422 63.200 0.005 0.000 1.044 34 S HN 0.202 nan 8.310 nan 0.000 0.485 35 Y N 2.620 122.897 120.300 -0.039 0.000 2.424 35 Y HA 0.221 4.770 4.550 -0.002 0.000 0.323 35 Y C -1.386 174.516 175.900 0.003 0.000 1.174 35 Y CA -1.251 56.842 58.100 -0.011 0.000 1.060 35 Y CB 0.814 39.274 38.460 -0.001 0.000 1.314 35 Y HN 0.861 nan 8.280 nan 0.000 0.439 36 D N 6.507 126.573 120.400 -0.556 0.000 2.662 36 D HA 0.007 4.646 4.640 -0.001 0.000 0.237 36 D C -2.138 174.008 176.300 -0.256 0.000 1.154 36 D CA -0.561 53.197 54.000 -0.402 0.000 0.861 36 D CB 0.658 41.175 40.800 -0.473 0.000 1.146 36 D HN 0.330 nan 8.370 nan 0.000 0.518 37 P HA -0.122 nan 4.420 nan 0.000 0.228 37 P C 0.973 178.266 177.300 -0.012 0.000 1.151 37 P CA 1.239 64.327 63.100 -0.021 0.000 0.770 37 P CB 0.252 31.941 31.700 -0.018 0.000 0.786 38 T N -5.284 109.247 114.554 -0.038 0.000 3.028 38 T HA 0.158 4.507 4.350 -0.001 0.000 0.250 38 T C 0.724 175.427 174.700 0.005 0.000 0.979 38 T CA -0.310 61.785 62.100 -0.008 0.000 1.004 38 T CB -0.776 68.085 68.868 -0.012 0.000 1.120 38 T HN -0.027 nan 8.240 nan 0.000 0.482 39 I N 2.675 123.224 120.570 -0.035 0.000 2.826 39 I HA 0.082 4.251 4.170 -0.001 0.000 0.295 39 I C 0.223 176.371 176.117 0.052 0.000 1.213 39 I CA 0.063 61.354 61.300 -0.014 0.000 1.436 39 I CB 0.650 38.608 38.000 -0.069 0.000 1.348 39 I HN 0.382 nan 8.210 nan 0.000 0.570 40 E N 6.477 126.717 120.200 0.067 0.000 2.200 40 E HA 0.207 4.556 4.350 -0.001 0.000 0.283 40 E C -1.036 175.616 176.600 0.086 0.000 1.015 40 E CA -0.555 55.909 56.400 0.106 0.000 0.819 40 E CB 0.888 30.657 29.700 0.115 0.000 1.081 40 E HN 0.651 nan 8.360 nan 0.000 0.397 41 N N 2.071 120.848 118.700 0.127 0.000 2.229 41 N HA 0.341 5.080 4.740 -0.001 0.000 0.298 41 N C -1.824 173.730 175.510 0.074 0.000 1.114 41 N CA -0.516 52.554 53.050 0.033 0.000 0.776 41 N CB 2.237 40.686 38.487 -0.064 0.000 1.501 41 N HN 0.218 nan 8.380 nan 0.000 0.474 42 T N 2.769 117.305 114.554 -0.030 0.000 2.788 42 T HA 0.433 4.782 4.350 -0.001 0.000 0.296 42 T C -0.709 173.980 174.700 -0.017 0.000 1.009 42 T CA -0.200 61.935 62.100 0.059 0.000 0.949 42 T CB -0.375 68.515 68.868 0.037 0.000 0.946 42 T HN 0.254 nan 8.240 nan 0.000 0.453 43 F N 2.270 122.225 119.950 0.008 0.000 2.370 43 F HA 0.533 5.059 4.527 -0.001 0.000 0.324 43 F C 1.431 177.215 175.800 -0.027 0.000 1.116 43 F CA -0.894 57.093 58.000 -0.021 0.000 1.123 43 F CB 0.883 39.852 39.000 -0.051 0.000 1.238 43 F HN 0.394 nan 8.300 nan 0.000 0.536 44 T N -0.224 114.410 114.554 0.133 0.000 2.829 44 T HA 0.704 5.053 4.350 -0.001 0.000 0.280 44 T C -0.970 173.743 174.700 0.021 0.000 0.999 44 T CA -0.888 61.249 62.100 0.062 0.000 0.983 44 T CB 1.925 70.803 68.868 0.017 0.000 0.968 44 T HN 0.531 nan 8.240 nan 0.000 0.446 45 K N 2.359 122.766 120.400 0.011 0.000 2.525 45 K HA 0.580 4.899 4.320 -0.001 0.000 0.254 45 K C -1.845 174.767 176.600 0.019 0.000 0.934 45 K CA -1.132 55.111 56.287 -0.073 0.000 0.802 45 K CB 1.815 34.163 32.500 -0.253 0.000 1.295 45 K HN 0.647 nan 8.250 nan 0.000 0.433 46 L N 7.017 128.241 121.223 0.001 0.000 2.287 46 L HA 0.662 5.001 4.340 -0.001 0.000 0.287 46 L C -1.059 175.836 176.870 0.041 0.000 1.022 46 L CA -0.652 54.238 54.840 0.083 0.000 0.814 46 L CB 0.349 42.468 42.059 0.099 0.000 1.217 46 L HN 0.842 nan 8.230 nan 0.000 0.420 47 I N 1.457 122.093 120.570 0.110 0.000 2.722 47 I HA 0.430 4.599 4.170 -0.001 0.000 0.295 47 I C -0.779 175.444 176.117 0.177 0.000 1.161 47 I CA -0.532 60.847 61.300 0.132 0.000 1.032 47 I CB 2.467 40.592 38.000 0.208 0.000 1.244 47 I HN 0.533 nan 8.210 nan 0.000 0.421 48 T N 5.069 119.703 114.554 0.134 0.000 2.756 48 T HA 0.647 4.996 4.350 -0.001 0.000 0.290 48 T C -0.857 173.939 174.700 0.161 0.000 0.985 48 T CA -0.314 61.862 62.100 0.127 0.000 0.955 48 T CB 0.589 69.489 68.868 0.053 0.000 0.930 48 T HN 0.482 nan 8.240 nan 0.000 0.451 49 V N 6.938 127.004 119.914 0.254 0.000 2.409 49 V HA 0.441 4.560 4.120 -0.001 0.000 0.291 49 V C 0.088 176.294 176.094 0.186 0.000 1.020 49 V CA -1.067 61.361 62.300 0.213 0.000 0.848 49 V CB 1.316 33.264 31.823 0.209 0.000 0.990 49 V HN 1.025 nan 8.190 nan 0.000 0.430 50 N N 3.812 122.577 118.700 0.108 0.000 2.754 50 N HA -0.202 4.537 4.740 -0.001 0.000 0.248 50 N C 1.174 176.716 175.510 0.052 0.000 1.093 50 N CA 1.413 54.508 53.050 0.076 0.000 0.699 50 N CB -1.258 37.282 38.487 0.088 0.000 1.016 50 N HN 1.583 nan 8.380 nan 0.000 0.552 51 G N -1.119 107.706 108.800 0.042 0.000 2.184 51 G HA2 -0.383 3.576 3.960 -0.001 0.000 0.264 51 G HA3 -0.383 3.576 3.960 -0.001 0.000 0.264 51 G C -0.072 174.816 174.900 -0.019 0.000 0.975 51 G CA 1.008 46.116 45.100 0.012 0.000 0.642 51 G HN 0.709 nan 8.290 nan 0.000 0.536 52 Q N 0.892 120.679 119.800 -0.021 0.000 2.290 52 Q HA 0.616 4.955 4.340 -0.001 0.000 0.259 52 Q C -0.054 175.809 176.000 -0.228 0.000 0.941 52 Q CA -0.507 55.204 55.803 -0.154 0.000 0.912 52 Q CB 0.867 29.489 28.738 -0.193 0.000 1.244 52 Q HN 0.473 nan 8.270 nan 0.000 0.441 53 E N 3.286 123.308 120.200 -0.297 0.000 2.283 53 E HA 0.239 4.588 4.350 -0.001 0.000 0.278 53 E C -1.275 175.036 176.600 -0.481 0.000 1.027 53 E CA -0.349 55.892 56.400 -0.264 0.000 0.843 53 E CB 0.550 30.118 29.700 -0.220 0.000 1.062 53 E HN 0.620 nan 8.360 nan 0.000 0.401 54 Y N 1.927 122.137 120.300 -0.150 0.000 2.409 54 Y HA 0.276 4.825 4.550 -0.001 0.000 0.343 54 Y C -0.413 175.412 175.900 -0.124 0.000 0.973 54 Y CA -0.923 57.101 58.100 -0.128 0.000 1.064 54 Y CB 1.687 40.146 38.460 -0.001 0.000 1.207 54 Y HN 0.527 nan 8.280 nan 0.000 0.452 55 H N 4.682 123.866 119.070 0.190 0.000 2.661 55 H HA 0.403 4.958 4.556 -0.002 0.000 0.290 55 H C -0.860 174.545 175.328 0.129 0.000 1.082 55 H CA -0.503 55.614 56.048 0.115 0.000 1.234 55 H CB 0.458 30.261 29.762 0.067 0.000 1.387 55 H HN 0.527 nan 8.280 nan 0.000 0.476 56 L N 2.662 124.023 121.223 0.231 0.000 2.307 56 L HA 0.331 4.670 4.340 -0.001 0.000 0.282 56 L C 0.336 177.284 176.870 0.130 0.000 1.051 56 L CA -0.820 54.124 54.840 0.173 0.000 0.804 56 L CB 1.262 43.428 42.059 0.179 0.000 1.197 56 L HN 0.288 nan 8.230 nan 0.000 0.431 57 Q N 4.534 124.403 119.800 0.115 0.000 2.357 57 Q HA 0.484 4.823 4.340 -0.001 0.000 0.266 57 Q C -1.002 175.064 176.000 0.111 0.000 1.021 57 Q CA -0.275 55.587 55.803 0.097 0.000 0.784 57 Q CB 2.289 31.069 28.738 0.070 0.000 1.243 57 Q HN 0.552 nan 8.270 nan 0.000 0.465 58 L N 2.631 123.943 121.223 0.149 0.000 2.264 58 L HA 0.416 4.755 4.340 -0.001 0.000 0.287 58 L C 0.029 177.019 176.870 0.201 0.000 1.039 58 L CA -0.916 54.031 54.840 0.177 0.000 0.829 58 L CB 1.094 43.245 42.059 0.153 0.000 1.211 58 L HN 0.141 nan 8.230 nan 0.000 0.427 59 V N 1.804 121.791 119.914 0.121 0.000 2.338 59 V HA 0.023 4.143 4.120 -0.001 0.000 0.255 59 V C 0.167 176.319 176.094 0.096 0.000 1.082 59 V CA -0.283 62.076 62.300 0.098 0.000 0.951 59 V CB 0.799 32.632 31.823 0.016 0.000 1.102 59 V HN 0.648 nan 8.190 nan 0.000 0.489 60 D N 4.697 125.216 120.400 0.198 0.000 2.453 60 D HA 0.173 4.812 4.640 -0.001 0.000 0.223 60 D C 0.920 177.301 176.300 0.135 0.000 1.183 60 D CA -0.172 53.938 54.000 0.182 0.000 0.933 60 D CB 0.635 41.626 40.800 0.319 0.000 1.038 60 D HN 0.677 nan 8.370 nan 0.000 0.513 61 T N 0.081 114.649 114.554 0.024 0.000 2.802 61 T HA 0.290 4.639 4.350 -0.001 0.000 0.305 61 T C 1.435 176.184 174.700 0.083 0.000 1.053 61 T CA -0.262 61.841 62.100 0.005 0.000 1.058 61 T CB 1.408 70.129 68.868 -0.244 0.000 0.988 61 T HN 0.274 nan 8.240 nan 0.000 0.539 62 A N 0.800 123.695 122.820 0.125 0.000 2.209 62 A HA 0.534 4.853 4.320 -0.001 0.000 0.212 62 A C 1.451 179.095 177.584 0.100 0.000 1.158 62 A CA 0.501 52.606 52.037 0.113 0.000 0.742 62 A CB -1.510 17.558 19.000 0.113 0.000 0.790 62 A HN 2.197 nan 8.150 nan 0.000 0.472 63 G N -1.028 107.835 108.800 0.105 0.000 2.699 63 G HA2 0.240 4.199 3.960 -0.001 0.000 0.686 63 G HA3 0.240 4.199 3.960 -0.001 0.000 0.686 63 G C -0.775 174.217 174.900 0.155 0.000 1.301 63 G CA -0.159 45.002 45.100 0.102 0.000 0.816 63 G HN 1.253 nan 8.290 nan 0.000 0.595 64 Q N -0.202 119.714 119.800 0.193 0.000 2.707 64 Q HA 0.818 5.157 4.340 -0.001 0.000 0.307 64 Q C -0.683 175.516 176.000 0.333 0.000 0.934 64 Q CA -0.105 55.854 55.803 0.259 0.000 0.753 64 Q CB 1.830 30.757 28.738 0.315 0.000 1.478 64 Q HN 1.040 nan 8.270 nan 0.000 0.458 65 D N -1.206 119.402 120.400 0.347 0.000 2.867 65 D HA 0.266 4.905 4.640 -0.001 0.000 0.308 65 D C 0.021 176.466 176.300 0.241 0.000 1.202 65 D CA -0.520 53.703 54.000 0.371 0.000 1.035 65 D CB 0.149 41.231 40.800 0.470 0.000 1.427 65 D HN 0.397 nan 8.370 nan 0.000 0.570 66 E N -1.322 118.948 120.200 0.117 0.000 2.267 66 E HA -0.107 4.242 4.350 -0.001 0.000 0.197 66 E C 0.471 176.858 176.600 -0.355 0.000 0.998 66 E CA 1.344 57.617 56.400 -0.211 0.000 0.830 66 E CB -0.405 28.997 29.700 -0.497 0.000 0.751 66 E HN 0.443 nan 8.360 nan 0.000 0.491 67 Y N -0.352 120.000 120.300 0.088 0.000 2.467 67 Y HA 0.333 4.882 4.550 -0.002 0.000 0.250 67 Y C 0.481 176.427 175.900 0.077 0.000 1.155 67 Y CA -0.455 57.683 58.100 0.063 0.000 1.249 67 Y CB 0.242 38.737 38.460 0.059 0.000 1.146 67 Y HN -0.217 nan 8.280 nan 0.000 0.524 68 S N 1.425 117.275 115.700 0.249 0.000 2.572 68 S HA 0.289 4.758 4.470 -0.001 0.000 0.279 68 S C 0.050 174.766 174.600 0.193 0.000 1.341 68 S CA -0.186 58.158 58.200 0.240 0.000 1.043 68 S CB 0.447 63.844 63.200 0.328 0.000 0.887 68 S HN 0.161 nan 8.310 nan 0.000 0.516 69 I N 3.004 123.669 120.570 0.159 0.000 2.388 69 I HA 0.249 4.418 4.170 -0.001 0.000 0.281 69 I C -0.386 175.818 176.117 0.144 0.000 1.046 69 I CA -0.319 61.040 61.300 0.098 0.000 1.187 69 I CB 0.163 38.188 38.000 0.040 0.000 1.351 69 I HN 0.586 nan 8.210 nan 0.000 0.472 70 F N 6.297 126.173 119.950 -0.124 0.000 2.460 70 F HA -0.061 4.465 4.527 -0.001 0.000 0.413 70 F C -1.578 173.995 175.800 -0.378 0.000 0.967 70 F CA -1.310 56.523 58.000 -0.278 0.000 1.122 70 F CB -0.104 38.848 39.000 -0.080 0.000 0.927 70 F HN 0.222 nan 8.300 nan 0.000 0.527 71 P HA -0.004 nan 4.420 nan 0.000 0.272 71 P C 0.118 177.314 177.300 -0.173 0.000 1.230 71 P CA -0.331 62.553 63.100 -0.359 0.000 0.788 71 P CB 0.639 32.061 31.700 -0.464 0.000 0.949 72 Q N 0.614 120.389 119.800 -0.041 0.000 2.135 72 Q HA -0.136 4.203 4.340 -0.001 0.000 0.204 72 Q C 1.723 177.780 176.000 0.095 0.000 0.981 72 Q CA 2.253 58.079 55.803 0.038 0.000 0.856 72 Q CB -1.752 27.005 28.738 0.032 0.000 0.902 72 Q HN 0.660 nan 8.270 nan 0.000 0.425 73 T N -2.073 112.541 114.554 0.101 0.000 2.996 73 T HA -0.143 4.206 4.350 -0.001 0.000 0.271 73 T C 1.295 176.195 174.700 0.333 0.000 1.126 73 T CA 0.883 63.094 62.100 0.184 0.000 1.103 73 T CB -0.267 68.712 68.868 0.185 0.000 0.870 73 T HN 0.129 nan 8.240 nan 0.000 0.528 74 Y N 1.922 122.257 120.300 0.059 0.000 2.517 74 Y HA 0.278 4.827 4.550 -0.002 0.000 0.281 74 Y C 2.560 178.585 175.900 0.208 0.000 1.125 74 Y CA -0.358 57.792 58.100 0.084 0.000 1.283 74 Y CB -0.061 38.380 38.460 -0.032 0.000 1.042 74 Y HN 0.509 nan 8.280 nan 0.000 0.547 75 S N -0.634 115.260 115.700 0.323 0.000 2.701 75 S HA 0.241 4.710 4.470 -0.001 0.000 0.242 75 S C 0.078 174.784 174.600 0.176 0.000 1.025 75 S CA -0.519 57.850 58.200 0.281 0.000 1.016 75 S CB -1.034 62.304 63.200 0.230 0.000 0.977 75 S HN 0.175 nan 8.310 nan 0.000 0.546 76 I N -0.225 120.425 120.570 0.134 0.000 2.321 76 I HA 0.596 4.765 4.170 -0.001 0.000 0.291 76 I C -0.509 175.645 176.117 0.062 0.000 0.998 76 I CA 0.093 61.446 61.300 0.088 0.000 1.227 76 I CB 0.366 38.409 38.000 0.073 0.000 1.368 76 I HN -0.011 nan 8.210 nan 0.000 0.466 77 D N 4.793 125.224 120.400 0.052 0.000 2.837 77 D HA -0.145 4.494 4.640 -0.001 0.000 0.230 77 D C -0.272 176.030 176.300 0.003 0.000 1.152 77 D CA 0.754 54.774 54.000 0.033 0.000 0.736 77 D CB -0.742 40.078 40.800 0.032 0.000 1.084 77 D HN 0.419 nan 8.370 nan 0.000 0.429 78 I N 1.288 121.846 120.570 -0.020 0.000 2.342 78 I HA 0.091 4.260 4.170 -0.001 0.000 0.291 78 I C 1.586 177.635 176.117 -0.114 0.000 1.010 78 I CA -0.250 60.959 61.300 -0.153 0.000 1.308 78 I CB 1.064 38.825 38.000 -0.399 0.000 1.400 78 I HN -0.128 nan 8.210 nan 0.000 0.488 79 N N 4.215 122.852 118.700 -0.105 0.000 2.373 79 N HA 0.130 4.869 4.740 -0.001 0.000 0.181 79 N C 0.735 176.219 175.510 -0.043 0.000 1.082 79 N CA 0.212 53.241 53.050 -0.034 0.000 0.885 79 N CB 1.334 39.822 38.487 0.003 0.000 0.977 79 N HN 0.802 nan 8.380 nan 0.000 0.462 80 G N -0.257 108.445 108.800 -0.162 0.000 2.616 80 G HA2 0.495 4.454 3.960 -0.001 0.000 0.294 80 G HA3 0.495 4.454 3.960 -0.001 0.000 0.294 80 G C -2.247 172.504 174.900 -0.248 0.000 1.489 80 G CA -0.564 44.486 45.100 -0.083 0.000 0.836 80 G HN -0.031 nan 8.290 nan 0.000 0.527 81 Y N -0.275 120.018 120.300 -0.012 0.000 2.462 81 Y HA 0.681 5.230 4.550 -0.001 0.000 0.346 81 Y C 0.285 176.164 175.900 -0.035 0.000 0.976 81 Y CA -0.922 57.162 58.100 -0.026 0.000 1.044 81 Y CB 2.479 40.930 38.460 -0.016 0.000 1.230 81 Y HN 0.396 nan 8.280 nan 0.000 0.455 82 I N 4.491 125.108 120.570 0.077 0.000 2.382 82 I HA 0.261 4.430 4.170 -0.001 0.000 0.286 82 I C -1.313 174.842 176.117 0.062 0.000 1.002 82 I CA -0.688 60.605 61.300 -0.011 0.000 1.135 82 I CB 1.076 38.953 38.000 -0.205 0.000 1.288 82 I HN 0.300 nan 8.210 nan 0.000 0.448 83 L N 8.011 129.317 121.223 0.138 0.000 2.276 83 L HA 0.447 4.786 4.340 -0.001 0.000 0.286 83 L C -0.148 176.857 176.870 0.225 0.000 1.024 83 L CA -0.283 54.679 54.840 0.203 0.000 0.826 83 L CB 1.436 43.676 42.059 0.303 0.000 1.211 83 L HN 0.334 nan 8.230 nan 0.000 0.422 84 V N 5.496 125.514 119.914 0.174 0.000 2.581 84 V HA 0.726 4.845 4.120 -0.001 0.000 0.303 84 V C -0.985 175.265 176.094 0.260 0.000 1.041 84 V CA -0.347 62.039 62.300 0.144 0.000 0.907 84 V CB 1.626 33.457 31.823 0.013 0.000 0.994 84 V HN 0.671 nan 8.190 nan 0.000 0.442 85 Y N 2.494 122.896 120.300 0.171 0.000 2.665 85 Y HA 0.834 5.383 4.550 -0.001 0.000 0.336 85 Y C -0.204 175.789 175.900 0.155 0.000 1.085 85 Y CA -0.946 57.277 58.100 0.204 0.000 1.096 85 Y CB 1.497 40.131 38.460 0.291 0.000 1.301 85 Y HN 0.660 nan 8.280 nan 0.000 0.493 86 S N 0.449 116.292 115.700 0.240 0.000 2.451 86 S HA 0.344 4.814 4.470 -0.001 0.000 0.301 86 S C 0.629 175.321 174.600 0.154 0.000 1.116 86 S CA -0.295 57.956 58.200 0.085 0.000 1.093 86 S CB 1.063 64.344 63.200 0.136 0.000 1.017 86 S HN 1.227 nan 8.310 nan 0.000 0.482 87 V N 2.886 122.809 119.914 0.014 0.000 3.305 87 V HA 0.065 4.184 4.120 -0.001 0.000 0.269 87 V C 1.598 177.731 176.094 0.065 0.000 1.157 87 V CA 1.737 64.084 62.300 0.078 0.000 1.157 87 V CB -1.528 30.307 31.823 0.020 0.000 0.772 87 V HN 0.972 nan 8.190 nan 0.000 0.498 88 T N -3.096 111.498 114.554 0.067 0.000 3.122 88 T HA 0.290 4.640 4.350 -0.001 0.000 0.250 88 T C 0.640 175.392 174.700 0.087 0.000 1.067 88 T CA 0.541 62.677 62.100 0.061 0.000 0.966 88 T CB -0.054 68.844 68.868 0.049 0.000 1.002 88 T HN 0.542 nan 8.240 nan 0.000 0.542 89 S N -0.017 115.757 115.700 0.124 0.000 2.775 89 S HA 0.483 4.953 4.470 -0.001 0.000 0.277 89 S C 0.723 175.404 174.600 0.136 0.000 1.156 89 S CA -0.818 57.464 58.200 0.135 0.000 1.081 89 S CB 0.367 63.678 63.200 0.185 0.000 1.054 89 S HN 0.341 nan 8.310 nan 0.000 0.482 90 I N 3.431 124.053 120.570 0.087 0.000 2.361 90 I HA -0.102 4.067 4.170 -0.001 0.000 0.251 90 I C 2.477 178.647 176.117 0.088 0.000 1.133 90 I CA 0.859 62.213 61.300 0.091 0.000 1.413 90 I CB -0.102 37.931 38.000 0.054 0.000 1.073 90 I HN 0.522 nan 8.210 nan 0.000 0.424 91 K N 1.577 121.992 120.400 0.025 0.000 2.032 91 K HA -0.195 4.124 4.320 -0.001 0.000 0.209 91 K C 2.262 178.722 176.600 -0.233 0.000 1.048 91 K CA 2.280 58.505 56.287 -0.105 0.000 0.927 91 K CB -0.583 31.846 32.500 -0.119 0.000 0.712 91 K HN 0.364 nan 8.250 nan 0.000 0.441 92 S N -0.620 115.011 115.700 -0.114 0.000 2.419 92 S HA -0.136 4.333 4.470 -0.001 0.000 0.233 92 S C 2.028 176.712 174.600 0.140 0.000 1.016 92 S CA 0.898 59.093 58.200 -0.008 0.000 0.974 92 S CB -0.670 62.722 63.200 0.321 0.000 0.786 92 S HN 0.339 nan 8.310 nan 0.000 0.492 93 F N 2.609 122.532 119.950 -0.045 0.000 2.163 93 F HA 0.159 4.685 4.527 -0.002 0.000 0.297 93 F C 2.437 178.139 175.800 -0.163 0.000 1.094 93 F CA 1.305 59.182 58.000 -0.205 0.000 1.290 93 F CB -0.339 38.488 39.000 -0.289 0.000 1.017 93 F HN 0.092 nan 8.300 nan 0.000 0.483 94 E N -0.009 120.128 120.200 -0.105 0.000 2.150 94 E HA -0.109 4.240 4.350 -0.001 0.000 0.193 94 E C 2.505 179.013 176.600 -0.154 0.000 0.985 94 E CA 0.989 57.283 56.400 -0.177 0.000 0.814 94 E CB -0.599 29.049 29.700 -0.087 0.000 0.752 94 E HN 0.299 nan 8.360 nan 0.000 0.466 95 V N 1.084 120.917 119.914 -0.135 0.000 2.548 95 V HA -0.176 3.943 4.120 -0.001 0.000 0.249 95 V C 2.271 178.381 176.094 0.027 0.000 1.055 95 V CA 0.872 63.128 62.300 -0.074 0.000 1.065 95 V CB -0.276 31.456 31.823 -0.152 0.000 0.681 95 V HN 0.156 nan 8.190 nan 0.000 0.462 96 I N -0.021 120.571 120.570 0.037 0.000 2.493 96 I HA -0.160 4.009 4.170 -0.001 0.000 0.254 96 I C 2.235 178.454 176.117 0.169 0.000 1.160 96 I CA 1.548 62.936 61.300 0.146 0.000 1.445 96 I CB -0.376 37.750 38.000 0.209 0.000 1.086 96 I HN 0.222 nan 8.210 nan 0.000 0.433 97 K N -0.676 119.741 120.400 0.028 0.000 2.057 97 K HA -0.077 4.242 4.320 -0.001 0.000 0.206 97 K C 2.025 178.679 176.600 0.089 0.000 1.050 97 K CA 1.524 57.885 56.287 0.124 0.000 0.935 97 K CB -0.246 32.211 32.500 -0.071 0.000 0.715 97 K HN 0.192 nan 8.250 nan 0.000 0.439 98 V N 1.908 121.832 119.914 0.017 0.000 2.343 98 V HA -0.235 3.885 4.120 -0.001 0.000 0.247 98 V C 2.180 178.279 176.094 0.009 0.000 1.051 98 V CA 1.574 63.863 62.300 -0.017 0.000 1.036 98 V CB -0.411 31.384 31.823 -0.046 0.000 0.654 98 V HN 0.280 nan 8.190 nan 0.000 0.451 99 I N -0.405 120.229 120.570 0.107 0.000 2.208 99 I HA -0.302 3.867 4.170 -0.001 0.000 0.245 99 I C 2.572 178.766 176.117 0.127 0.000 1.097 99 I CA 1.987 63.428 61.300 0.235 0.000 1.363 99 I CB -0.644 37.523 38.000 0.278 0.000 1.051 99 I HN 0.470 nan 8.210 nan 0.000 0.413 100 H N 1.049 120.047 119.070 -0.121 0.000 2.353 100 H HA -0.132 4.423 4.556 -0.002 0.000 0.300 100 H C 2.182 177.290 175.328 -0.368 0.000 1.090 100 H CA 1.846 57.640 56.048 -0.424 0.000 1.327 100 H CB -0.055 29.085 29.762 -1.035 0.000 1.383 100 H HN 0.337 nan 8.280 nan 0.000 0.508 101 G N 0.772 109.416 108.800 -0.259 0.000 2.418 101 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.217 101 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.217 101 G C 1.878 176.587 174.900 -0.319 0.000 1.158 101 G CA 0.598 45.533 45.100 -0.275 0.000 0.771 101 G HN 0.358 nan 8.290 nan 0.000 0.545 102 K N -0.506 119.696 120.400 -0.331 0.000 2.097 102 K HA 0.021 4.340 4.320 -0.001 0.000 0.206 102 K C 2.350 178.637 176.600 -0.522 0.000 1.049 102 K CA 0.824 56.782 56.287 -0.548 0.000 0.933 102 K CB -0.269 31.664 32.500 -0.946 0.000 0.717 102 K HN 0.257 nan 8.250 nan 0.000 0.442 103 L N 1.522 122.598 121.223 -0.244 0.000 2.017 103 L HA -0.152 4.187 4.340 -0.001 0.000 0.208 103 L C 1.851 178.563 176.870 -0.264 0.000 1.073 103 L CA 1.572 56.375 54.840 -0.062 0.000 0.745 103 L CB -0.351 41.611 42.059 -0.162 0.000 0.894 103 L HN 0.143 nan 8.230 nan 0.000 0.432 104 L N -0.791 120.187 121.223 -0.408 0.000 2.131 104 L HA -0.201 4.138 4.340 -0.001 0.000 0.210 104 L C 2.170 178.901 176.870 -0.230 0.000 1.092 104 L CA 1.179 55.807 54.840 -0.353 0.000 0.759 104 L CB -0.763 41.038 42.059 -0.430 0.000 0.903 104 L HN 0.308 nan 8.230 nan 0.000 0.435 105 D N -0.461 119.797 120.400 -0.236 0.000 2.117 105 D HA -0.168 4.471 4.640 -0.001 0.000 0.198 105 D C 2.147 178.363 176.300 -0.141 0.000 0.982 105 D CA 1.217 55.106 54.000 -0.184 0.000 0.828 105 D CB 0.023 40.695 40.800 -0.214 0.000 0.967 105 D HN 0.123 nan 8.370 nan 0.000 0.464 106 M N 0.073 119.587 119.600 -0.142 0.000 2.200 106 M HA -0.082 4.397 4.480 -0.001 0.000 0.265 106 M C 2.118 178.409 176.300 -0.014 0.000 1.066 106 M CA 0.777 56.044 55.300 -0.055 0.000 1.127 106 M CB -0.198 32.420 32.600 0.030 0.000 1.379 106 M HN 0.058 nan 8.290 nan 0.000 0.420 107 V N -3.641 116.252 119.914 -0.035 0.000 2.825 107 V HA 0.513 4.632 4.120 -0.001 0.000 0.246 107 V C 1.338 177.415 176.094 -0.027 0.000 1.068 107 V CA 0.929 63.223 62.300 -0.010 0.000 1.088 107 V CB -0.794 31.019 31.823 -0.017 0.000 0.733 107 V HN 0.543 nan 8.190 nan 0.000 0.468 108 G N 1.019 109.781 108.800 -0.062 0.000 2.594 108 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.217 108 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.217 108 G C 0.128 174.992 174.900 -0.061 0.000 1.163 108 G CA 0.059 45.126 45.100 -0.056 0.000 1.074 108 G HN 0.439 nan 8.290 nan 0.000 0.589 109 K N 0.554 120.932 120.400 -0.038 0.000 2.498 109 K HA 0.465 4.785 4.320 -0.001 0.000 0.207 109 K C 1.670 178.261 176.600 -0.015 0.000 1.033 109 K CA 0.338 56.606 56.287 -0.031 0.000 1.138 109 K CB 1.025 33.512 32.500 -0.022 0.000 0.860 109 K HN 0.276 nan 8.250 nan 0.000 0.490 110 V N 1.158 121.066 119.914 -0.010 0.000 3.140 110 V HA -0.233 3.886 4.120 -0.001 0.000 0.269 110 V C 1.111 177.216 176.094 0.018 0.000 1.149 110 V CA 1.199 63.506 62.300 0.012 0.000 1.162 110 V CB -1.234 30.606 31.823 0.029 0.000 0.756 110 V HN 0.666 nan 8.190 nan 0.000 0.523 111 Q N 0.351 120.153 119.800 0.003 0.000 2.452 111 Q HA -0.242 4.097 4.340 -0.001 0.000 0.318 111 Q C 0.172 176.193 176.000 0.036 0.000 1.386 111 Q CA 0.259 56.071 55.803 0.015 0.000 0.872 111 Q CB -1.099 27.653 28.738 0.024 0.000 1.151 111 Q HN 0.897 nan 8.270 nan 0.000 0.417 112 I N -1.935 118.655 120.570 0.033 0.000 2.892 112 I HA 0.319 4.488 4.170 -0.001 0.000 0.287 112 I C -1.935 174.246 176.117 0.107 0.000 1.205 112 I CA -1.777 59.575 61.300 0.087 0.000 1.409 112 I CB 0.270 38.331 38.000 0.102 0.000 1.367 112 I HN 0.016 nan 8.210 nan 0.000 0.597 113 P HA 0.439 nan 4.420 nan 0.000 0.281 113 P C -0.796 176.607 177.300 0.171 0.000 1.286 113 P CA 0.177 63.353 63.100 0.126 0.000 0.772 113 P CB 0.593 32.350 31.700 0.094 0.000 0.862 114 I N 3.498 124.160 120.570 0.154 0.000 2.608 114 I HA 0.537 4.706 4.170 -0.001 0.000 0.295 114 I C -0.211 176.011 176.117 0.174 0.000 1.049 114 I CA -0.997 60.413 61.300 0.184 0.000 1.063 114 I CB 2.213 40.330 38.000 0.195 0.000 1.248 114 I HN 0.257 nan 8.210 nan 0.000 0.424 115 M N 7.372 127.066 119.600 0.157 0.000 2.151 115 M HA 0.490 4.969 4.480 -0.001 0.000 0.290 115 M C -2.061 174.342 176.300 0.171 0.000 0.965 115 M CA -0.632 54.740 55.300 0.119 0.000 0.930 115 M CB 1.784 34.380 32.600 -0.006 0.000 1.560 115 M HN 0.485 nan 8.290 nan 0.000 0.438 116 L N 6.328 127.706 121.223 0.258 0.000 2.292 116 L HA 0.760 5.099 4.340 -0.001 0.000 0.284 116 L C -1.531 175.478 176.870 0.232 0.000 1.065 116 L CA -0.122 54.928 54.840 0.349 0.000 0.806 116 L CB 1.517 43.811 42.059 0.393 0.000 1.175 116 L HN 0.648 nan 8.230 nan 0.000 0.431 117 V N 4.423 124.427 119.914 0.150 0.000 2.525 117 V HA 0.579 4.698 4.120 -0.001 0.000 0.299 117 V C 0.404 176.288 176.094 -0.350 0.000 1.034 117 V CA -0.459 61.763 62.300 -0.129 0.000 0.863 117 V CB 1.532 33.245 31.823 -0.184 0.000 0.999 117 V HN 0.902 nan 8.190 nan 0.000 0.423 118 G N 2.770 111.249 108.800 -0.534 0.000 2.571 118 G HA2 0.381 4.340 3.960 -0.001 0.000 0.327 118 G HA3 0.381 4.340 3.960 -0.001 0.000 0.327 118 G C -0.305 174.292 174.900 -0.504 0.000 1.008 118 G CA -0.272 44.244 45.100 -0.973 0.000 1.136 118 G HN 0.616 nan 8.290 nan 0.000 0.444 119 N N 1.287 119.729 118.700 -0.429 0.000 2.413 119 N HA 0.271 5.011 4.740 -0.001 0.000 0.266 119 N C 0.774 176.188 175.510 -0.160 0.000 1.238 119 N CA -0.434 52.480 53.050 -0.228 0.000 0.972 119 N CB 0.447 38.844 38.487 -0.150 0.000 1.210 119 N HN 0.478 nan 8.380 nan 0.000 0.547 120 K N -1.101 119.227 120.400 -0.120 0.000 3.192 120 K HA -0.207 4.113 4.320 -0.001 0.000 0.278 120 K C 0.309 176.830 176.600 -0.132 0.000 1.164 120 K CA 0.907 57.131 56.287 -0.105 0.000 0.816 120 K CB -1.315 31.153 32.500 -0.054 0.000 1.256 120 K HN 0.739 nan 8.250 nan 0.000 0.497 121 K N 0.442 120.756 120.400 -0.144 0.000 2.442 121 K HA -0.165 4.154 4.320 -0.001 0.000 0.198 121 K C 1.156 177.582 176.600 -0.291 0.000 1.044 121 K CA 1.816 58.018 56.287 -0.142 0.000 0.948 121 K CB -0.015 32.432 32.500 -0.088 0.000 0.762 121 K HN 0.421 nan 8.250 nan 0.000 0.472 122 D N 1.665 121.874 120.400 -0.318 0.000 2.269 122 D HA -0.142 4.497 4.640 -0.001 0.000 0.208 122 D C 1.015 176.984 176.300 -0.553 0.000 0.963 122 D CA 0.436 54.155 54.000 -0.468 0.000 0.864 122 D CB -0.181 40.450 40.800 -0.281 0.000 0.936 122 D HN 0.272 nan 8.370 nan 0.000 0.505 123 L N 2.212 123.242 121.223 -0.322 0.000 2.533 123 L HA 0.097 4.436 4.340 -0.001 0.000 0.239 123 L C 1.427 178.215 176.870 -0.137 0.000 1.376 123 L CA -0.471 54.259 54.840 -0.183 0.000 1.240 123 L CB -0.383 41.627 42.059 -0.083 0.000 1.487 123 L HN -0.044 nan 8.230 nan 0.000 0.419 124 H N 0.864 119.928 119.070 -0.011 0.000 2.321 124 H HA -0.233 4.322 4.556 -0.002 0.000 0.295 124 H C 2.073 177.400 175.328 -0.001 0.000 1.102 124 H CA 1.769 57.813 56.048 -0.008 0.000 1.266 124 H CB -0.009 29.746 29.762 -0.012 0.000 1.363 124 H HN 0.534 nan 8.280 nan 0.000 0.492 125 M N 0.426 120.097 119.600 0.118 0.000 2.117 125 M HA -0.143 4.336 4.480 -0.001 0.000 0.262 125 M C 1.652 177.980 176.300 0.047 0.000 1.065 125 M CA 1.630 56.971 55.300 0.069 0.000 1.114 125 M CB -0.165 32.466 32.600 0.051 0.000 1.361 125 M HN 0.247 nan 8.290 nan 0.000 0.408 126 E N -0.080 120.141 120.200 0.035 0.000 2.476 126 E HA 0.046 4.395 4.350 -0.001 0.000 0.191 126 E C 0.489 177.106 176.600 0.029 0.000 1.064 126 E CA -0.239 56.179 56.400 0.029 0.000 0.866 126 E CB -0.005 29.710 29.700 0.025 0.000 0.952 126 E HN 0.326 nan 8.360 nan 0.000 0.492 127 R N 1.588 122.108 120.500 0.033 0.000 2.489 127 R HA 0.031 4.370 4.340 -0.001 0.000 0.287 127 R C 0.728 177.042 176.300 0.023 0.000 1.053 127 R CA 0.206 56.325 56.100 0.031 0.000 1.036 127 R CB 0.621 30.950 30.300 0.048 0.000 0.966 127 R HN 0.061 nan 8.270 nan 0.000 0.432 128 V N 2.109 122.030 119.914 0.012 0.000 3.411 128 V HA 0.331 4.450 4.120 -0.001 0.000 0.287 128 V C 0.160 176.222 176.094 -0.053 0.000 1.543 128 V CA -0.324 61.972 62.300 -0.007 0.000 1.028 128 V CB 0.507 32.334 31.823 0.006 0.000 0.840 128 V HN 0.434 nan 8.190 nan 0.000 0.435 129 I N 2.832 123.359 120.570 -0.071 0.000 2.406 129 I HA 0.576 4.745 4.170 -0.001 0.000 0.290 129 I C 0.515 176.572 176.117 -0.101 0.000 0.999 129 I CA -0.016 61.168 61.300 -0.195 0.000 1.124 129 I CB 1.762 39.578 38.000 -0.308 0.000 1.289 129 I HN 0.401 nan 8.210 nan 0.000 0.441 130 S N 5.360 120.990 115.700 -0.117 0.000 2.632 130 S HA 0.198 4.667 4.470 -0.001 0.000 0.267 130 S C 1.069 175.685 174.600 0.026 0.000 1.276 130 S CA -0.255 57.937 58.200 -0.013 0.000 0.998 130 S CB 1.102 64.295 63.200 -0.012 0.000 0.953 130 S HN 0.590 nan 8.310 nan 0.000 0.547 131 Y N 1.579 121.897 120.300 0.030 0.000 2.165 131 Y HA -0.134 4.415 4.550 -0.002 0.000 0.286 131 Y C 2.047 177.957 175.900 0.016 0.000 1.155 131 Y CA 2.377 60.547 58.100 0.117 0.000 1.164 131 Y CB -0.470 38.060 38.460 0.115 0.000 0.978 131 Y HN 0.802 nan 8.280 nan 0.000 0.513 132 E N 0.537 120.772 120.200 0.059 0.000 2.077 132 E HA -0.195 4.155 4.350 -0.001 0.000 0.193 132 E C 2.047 178.511 176.600 -0.226 0.000 0.989 132 E CA 1.879 58.241 56.400 -0.064 0.000 0.800 132 E CB -0.273 29.431 29.700 0.008 0.000 0.746 132 E HN 0.638 nan 8.360 nan 0.000 0.452 133 E N -0.187 119.884 120.200 -0.214 0.000 2.077 133 E HA -0.135 4.214 4.350 -0.001 0.000 0.193 133 E C 2.212 178.616 176.600 -0.326 0.000 0.989 133 E CA 1.027 57.280 56.400 -0.246 0.000 0.800 133 E CB -0.333 29.179 29.700 -0.312 0.000 0.746 133 E HN 0.377 nan 8.360 nan 0.000 0.452 134 G N 1.769 110.296 108.800 -0.455 0.000 2.421 134 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.216 134 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.216 134 G C 1.515 175.590 174.900 -1.375 0.000 1.171 134 G CA 0.920 45.657 45.100 -0.605 0.000 0.775 134 G HN 0.129 nan 8.290 nan 0.000 0.543 135 K N 0.574 120.071 120.400 -1.504 0.000 2.097 135 K HA 0.050 4.369 4.320 -0.001 0.000 0.206 135 K C 2.754 178.960 176.600 -0.657 0.000 1.049 135 K CA 1.219 56.769 56.287 -1.228 0.000 0.933 135 K CB -0.296 31.769 32.500 -0.726 0.000 0.717 135 K HN 0.209 nan 8.250 nan 0.000 0.442 136 A N 1.209 123.740 122.820 -0.481 0.000 1.933 136 A HA -0.147 4.172 4.320 -0.001 0.000 0.218 136 A C 2.005 179.345 177.584 -0.407 0.000 1.175 136 A CA 1.226 53.064 52.037 -0.331 0.000 0.628 136 A CB -0.541 18.320 19.000 -0.231 0.000 0.814 136 A HN 0.376 nan 8.150 nan 0.000 0.444 137 L N -0.185 120.724 121.223 -0.525 0.000 2.005 137 L HA -0.032 4.307 4.340 -0.001 0.000 0.207 137 L C 2.712 178.973 176.870 -1.014 0.000 1.072 137 L CA 2.229 56.599 54.840 -0.782 0.000 0.744 137 L CB -0.998 40.559 42.059 -0.838 0.000 0.895 137 L HN 0.338 nan 8.230 nan 0.000 0.433 138 A N -0.837 121.509 122.820 -0.791 0.000 1.908 138 A HA -0.252 4.067 4.320 -0.001 0.000 0.218 138 A C 2.163 179.576 177.584 -0.285 0.000 1.181 138 A CA 1.968 53.712 52.037 -0.488 0.000 0.627 138 A CB -0.671 18.175 19.000 -0.256 0.000 0.818 138 A HN 0.636 nan 8.150 nan 0.000 0.445 139 E N -0.275 119.753 120.200 -0.287 0.000 2.150 139 E HA -0.095 4.254 4.350 -0.001 0.000 0.193 139 E C 2.212 178.740 176.600 -0.119 0.000 0.985 139 E CA 1.065 57.374 56.400 -0.152 0.000 0.814 139 E CB -0.134 29.480 29.700 -0.143 0.000 0.752 139 E HN 0.574 nan 8.360 nan 0.000 0.466 140 S N 0.146 115.715 115.700 -0.219 0.000 2.399 140 S HA -0.127 4.342 4.470 -0.001 0.000 0.231 140 S C 1.036 175.693 174.600 0.095 0.000 1.022 140 S CA 0.835 58.966 58.200 -0.115 0.000 0.983 140 S CB -0.106 62.963 63.200 -0.219 0.000 0.803 140 S HN 0.423 nan 8.310 nan 0.000 0.480 141 W N 1.175 122.396 121.300 -0.131 0.000 3.114 141 W HA 0.399 5.058 4.660 -0.002 0.000 0.279 141 W C 0.879 177.378 176.519 -0.032 0.000 1.277 141 W CA -0.908 56.373 57.345 -0.108 0.000 1.630 141 W CB -1.612 27.682 29.460 -0.278 0.000 1.087 141 W HN 0.380 nan 8.180 nan 0.000 0.637 142 N N -0.040 118.756 118.700 0.160 0.000 2.758 142 N HA -0.145 4.595 4.740 -0.001 0.000 0.248 142 N C -0.250 175.344 175.510 0.141 0.000 1.076 142 N CA 0.322 53.438 53.050 0.110 0.000 0.696 142 N CB -0.951 37.594 38.487 0.098 0.000 0.979 142 N HN 0.017 nan 8.380 nan 0.000 0.550 143 A N 0.027 122.948 122.820 0.167 0.000 2.313 143 A HA 0.876 5.195 4.320 -0.001 0.000 0.323 143 A C 0.297 177.969 177.584 0.147 0.000 1.133 143 A CA 0.147 52.301 52.037 0.194 0.000 0.847 143 A CB 1.390 20.592 19.000 0.335 0.000 1.308 143 A HN 0.550 nan 8.150 nan 0.000 0.475 144 A N -0.242 122.663 122.820 0.142 0.000 2.332 144 A HA 0.637 4.956 4.320 -0.001 0.000 0.258 144 A C -0.726 176.974 177.584 0.194 0.000 1.087 144 A CA 0.045 52.155 52.037 0.123 0.000 0.802 144 A CB 0.072 19.111 19.000 0.065 0.000 1.042 144 A HN 1.510 nan 8.150 nan 0.000 0.489 145 F N 0.720 120.661 119.950 -0.014 0.000 2.591 145 F HA 0.717 5.244 4.527 -0.001 0.000 0.309 145 F C -1.562 174.224 175.800 -0.024 0.000 1.098 145 F CA -1.119 56.860 58.000 -0.036 0.000 0.937 145 F CB 1.756 40.700 39.000 -0.094 0.000 1.250 145 F HN 0.503 nan 8.300 nan 0.000 0.447 146 L N 3.996 124.597 121.223 -1.037 0.000 2.653 146 L HA 0.425 4.765 4.340 -0.001 0.000 0.257 146 L C -1.180 175.136 176.870 -0.923 0.000 0.969 146 L CA -0.552 53.822 54.840 -0.777 0.000 0.869 146 L CB 2.520 44.364 42.059 -0.359 0.000 1.439 146 L HN 0.679 nan 8.230 nan 0.000 0.414 147 E N 0.524 120.393 120.200 -0.551 0.000 2.222 147 E HA 0.832 5.181 4.350 -0.001 0.000 0.267 147 E C -0.996 175.461 176.600 -0.237 0.000 0.963 147 E CA -0.476 55.710 56.400 -0.356 0.000 0.837 147 E CB 2.157 31.789 29.700 -0.114 0.000 1.183 147 E HN 0.617 nan 8.360 nan 0.000 0.403 148 S N 0.098 115.674 115.700 -0.207 0.000 2.688 148 S HA 0.628 5.097 4.470 -0.001 0.000 0.275 148 S C -1.032 173.483 174.600 -0.142 0.000 1.175 148 S CA -0.869 57.234 58.200 -0.160 0.000 0.818 148 S CB 1.888 64.990 63.200 -0.163 0.000 1.157 148 S HN 0.299 nan 8.310 nan 0.000 0.482 149 S N -0.596 115.029 115.700 -0.126 0.000 2.720 149 S HA 0.604 5.074 4.470 -0.001 0.000 0.278 149 S C 0.599 175.118 174.600 -0.135 0.000 1.172 149 S CA -0.114 58.000 58.200 -0.144 0.000 1.019 149 S CB 0.954 64.052 63.200 -0.171 0.000 1.049 149 S HN 1.621 nan 8.310 nan 0.000 0.483 150 A N 4.621 127.376 122.820 -0.108 0.000 2.186 150 A HA -0.030 4.289 4.320 -0.001 0.000 0.219 150 A C 1.763 179.245 177.584 -0.170 0.000 1.159 150 A CA 1.258 53.279 52.037 -0.026 0.000 0.680 150 A CB -0.295 18.798 19.000 0.155 0.000 0.787 150 A HN 0.825 nan 8.150 nan 0.000 0.467 151 K N -0.407 119.715 120.400 -0.463 0.000 2.356 151 K HA 0.057 4.376 4.320 -0.001 0.000 0.195 151 K C -0.210 176.238 176.600 -0.253 0.000 1.037 151 K CA 0.379 56.293 56.287 -0.621 0.000 1.014 151 K CB 0.320 32.349 32.500 -0.786 0.000 0.815 151 K HN 0.508 nan 8.250 nan 0.000 0.507 152 E N 1.885 121.986 120.200 -0.166 0.000 2.103 152 E HA 0.073 4.422 4.350 -0.001 0.000 0.254 152 E C 0.171 176.748 176.600 -0.039 0.000 0.940 152 E CA -0.271 56.075 56.400 -0.091 0.000 0.771 152 E CB 0.792 30.439 29.700 -0.090 0.000 1.153 152 E HN 0.121 nan 8.360 nan 0.000 0.428 153 N N 2.541 121.235 118.700 -0.009 0.000 2.096 153 N HA -0.303 4.436 4.740 -0.001 0.000 0.195 153 N C 1.581 177.117 175.510 0.044 0.000 1.017 153 N CA 1.611 54.681 53.050 0.033 0.000 0.870 153 N CB 0.306 38.815 38.487 0.036 0.000 1.024 153 N HN 0.328 nan 8.380 nan 0.000 0.434 154 Q N 0.355 120.166 119.800 0.019 0.000 2.226 154 Q HA -0.073 4.266 4.340 -0.001 0.000 0.204 154 Q C 1.984 177.985 176.000 0.002 0.000 0.975 154 Q CA 2.078 57.892 55.803 0.018 0.000 0.866 154 Q CB -0.619 28.121 28.738 0.004 0.000 0.915 154 Q HN 0.621 nan 8.270 nan 0.000 0.440 155 T N -3.176 111.367 114.554 -0.019 0.000 2.904 155 T HA 0.088 4.437 4.350 -0.001 0.000 0.267 155 T C 1.823 176.496 174.700 -0.045 0.000 1.059 155 T CA 0.900 62.971 62.100 -0.049 0.000 1.137 155 T CB -0.424 68.400 68.868 -0.072 0.000 0.879 155 T HN 0.243 nan 8.240 nan 0.000 0.467 156 A N 1.084 123.908 122.820 0.007 0.000 1.930 156 A HA 0.162 4.481 4.320 -0.001 0.000 0.217 156 A C 2.572 180.200 177.584 0.074 0.000 1.175 156 A CA 1.314 53.392 52.037 0.068 0.000 0.627 156 A CB -0.937 18.152 19.000 0.149 0.000 0.815 156 A HN 0.406 nan 8.150 nan 0.000 0.443 157 V N 0.648 120.620 119.914 0.096 0.000 2.358 157 V HA -0.206 3.913 4.120 -0.001 0.000 0.246 157 V C 2.070 178.137 176.094 -0.044 0.000 1.047 157 V CA 2.148 64.501 62.300 0.089 0.000 1.035 157 V CB -0.756 31.171 31.823 0.173 0.000 0.658 157 V HN 0.481 nan 8.190 nan 0.000 0.452 158 D N 0.059 120.433 120.400 -0.044 0.000 2.144 158 D HA -0.129 4.510 4.640 -0.001 0.000 0.199 158 D C 2.199 178.413 176.300 -0.145 0.000 0.984 158 D CA 1.154 55.109 54.000 -0.076 0.000 0.834 158 D CB -0.302 40.457 40.800 -0.067 0.000 0.955 158 D HN 0.304 nan 8.370 nan 0.000 0.465 159 V N 0.616 120.411 119.914 -0.198 0.000 2.233 159 V HA -0.255 3.864 4.120 -0.001 0.000 0.247 159 V C 2.213 178.038 176.094 -0.448 0.000 1.050 159 V CA 1.501 63.603 62.300 -0.331 0.000 1.010 159 V CB -0.596 30.979 31.823 -0.414 0.000 0.637 159 V HN 0.077 nan 8.190 nan 0.000 0.444 160 F N 0.181 119.838 119.950 -0.488 0.000 2.186 160 F HA -0.100 4.426 4.527 -0.001 0.000 0.299 160 F C 2.570 178.133 175.800 -0.395 0.000 1.090 160 F CA 1.426 59.070 58.000 -0.592 0.000 1.307 160 F CB -0.446 37.744 39.000 -1.351 0.000 1.019 160 F HN 0.002 nan 8.300 nan 0.000 0.489 161 R N -0.393 120.008 120.500 -0.165 0.000 2.096 161 R HA -0.152 4.187 4.340 -0.001 0.000 0.235 161 R C 2.251 178.481 176.300 -0.116 0.000 1.127 161 R CA 1.149 57.187 56.100 -0.103 0.000 0.968 161 R CB -0.369 29.903 30.300 -0.046 0.000 0.861 161 R HN 0.051 nan 8.270 nan 0.000 0.440 162 R N 1.424 121.847 120.500 -0.129 0.000 2.073 162 R HA -0.115 4.224 4.340 -0.001 0.000 0.234 162 R C 1.971 178.208 176.300 -0.105 0.000 1.134 162 R CA 1.286 57.322 56.100 -0.106 0.000 0.952 162 R CB -0.749 29.483 30.300 -0.113 0.000 0.850 162 R HN 0.164 nan 8.270 nan 0.000 0.433 163 I N 0.272 120.753 120.570 -0.150 0.000 2.361 163 I HA -0.124 4.045 4.170 -0.001 0.000 0.251 163 I C 1.798 177.856 176.117 -0.098 0.000 1.133 163 I CA 1.207 62.437 61.300 -0.117 0.000 1.413 163 I CB -0.170 37.732 38.000 -0.163 0.000 1.073 163 I HN 0.240 nan 8.210 nan 0.000 0.424 164 I N -0.337 120.149 120.570 -0.141 0.000 2.226 164 I HA -0.306 3.863 4.170 -0.001 0.000 0.245 164 I C 2.310 178.350 176.117 -0.129 0.000 1.100 164 I CA 1.333 62.511 61.300 -0.204 0.000 1.374 164 I CB -0.349 37.416 38.000 -0.392 0.000 1.057 164 I HN 0.211 nan 8.210 nan 0.000 0.413 165 L N 0.047 121.218 121.223 -0.087 0.000 2.093 165 L HA -0.184 4.155 4.340 -0.001 0.000 0.208 165 L C 2.551 179.419 176.870 -0.005 0.000 1.085 165 L CA 1.069 55.892 54.840 -0.028 0.000 0.755 165 L CB -0.589 41.459 42.059 -0.018 0.000 0.904 165 L HN 0.201 nan 8.230 nan 0.000 0.435 166 E N 0.840 121.034 120.200 -0.010 0.000 2.077 166 E HA -0.209 4.140 4.350 -0.001 0.000 0.193 166 E C 2.156 178.772 176.600 0.025 0.000 0.989 166 E CA 1.580 57.990 56.400 0.016 0.000 0.800 166 E CB -0.099 29.615 29.700 0.022 0.000 0.746 166 E HN 0.359 nan 8.360 nan 0.000 0.452 167 A N 1.048 123.875 122.820 0.012 0.000 1.865 167 A HA -0.219 4.100 4.320 -0.001 0.000 0.217 167 A C 2.064 179.672 177.584 0.040 0.000 1.191 167 A CA 1.847 53.900 52.037 0.026 0.000 0.623 167 A CB -0.696 18.309 19.000 0.008 0.000 0.826 167 A HN 0.264 nan 8.150 nan 0.000 0.444 168 E N -0.149 120.074 120.200 0.039 0.000 2.110 168 E HA -0.214 4.136 4.350 -0.001 0.000 0.193 168 E C 1.952 178.582 176.600 0.050 0.000 0.988 168 E CA 1.445 57.882 56.400 0.060 0.000 0.804 168 E CB -0.337 29.409 29.700 0.078 0.000 0.745 168 E HN 0.753 nan 8.360 nan 0.000 0.458 169 K N 0.575 121.000 120.400 0.041 0.000 2.026 169 K HA -0.100 4.219 4.320 -0.001 0.000 0.208 169 K C 2.024 178.649 176.600 0.041 0.000 1.048 169 K CA 0.762 57.073 56.287 0.040 0.000 0.929 169 K CB 0.039 32.561 32.500 0.037 0.000 0.713 169 K HN 0.024 nan 8.250 nan 0.000 0.439 170 L N 1.655 122.905 121.223 0.045 0.000 2.362 170 L HA -0.023 4.317 4.340 -0.001 0.000 0.219 170 L C 1.439 178.336 176.870 0.044 0.000 1.134 170 L CA 1.148 56.016 54.840 0.046 0.000 0.807 170 L CB -1.173 40.918 42.059 0.053 0.000 0.927 170 L HN 0.419 nan 8.230 nan 0.000 0.447 171 E N 0.000 120.228 120.200 0.046 0.000 2.725 171 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 171 E CA 0.000 56.428 56.400 0.046 0.000 0.976 171 E CB 0.000 29.732 29.700 0.053 0.000 0.812 171 E HN 0.000 nan 8.360 nan 0.000 0.440