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 1dpy_1_A DATA FIRST_RESID 1 DATA SEQUENCE NLIQFKNMIQ cAGTXXRIWT AYVAYGcYcG KGGSGTPVDE LDRccYTHDH DATA SEQUENCE cYNEAEKIPG cNPNIKTYSY TcTQPNLTcT DSADTcAQFL cEcDRTAAIc DATA SEQUENCE FASAPYNSNN IMLXSSTScQ 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 1 N HA 0.000 nan 4.740 nan 0.000 0.220 1 N C 0.000 175.539 175.510 0.049 0.000 1.280 1 N CA 0.000 52.998 53.050 -0.087 0.000 0.885 1 N CB 0.000 38.341 38.487 -0.244 0.000 1.341 2 L N 3.695 124.971 121.223 0.088 0.000 2.083 2 L HA 0.079 4.419 4.340 -0.001 0.000 0.209 2 L C 1.873 178.793 176.870 0.084 0.000 1.083 2 L CA 1.548 56.487 54.840 0.166 0.000 0.752 2 L CB -0.338 41.794 42.059 0.122 0.000 0.899 2 L HN 0.720 nan 8.230 nan 0.000 0.433 3 I N -0.838 119.725 120.570 -0.012 0.000 2.179 3 I HA -0.319 3.850 4.170 -0.001 0.000 0.242 3 I C 2.532 178.634 176.117 -0.025 0.000 1.088 3 I CA 1.355 62.614 61.300 -0.069 0.000 1.357 3 I CB -0.596 37.363 38.000 -0.067 0.000 1.051 3 I HN 0.342 nan 8.210 nan 0.000 0.409 4 Q N -0.867 118.930 119.800 -0.005 0.000 2.135 4 Q HA -0.245 4.095 4.340 -0.001 0.000 0.204 4 Q C 2.290 178.337 176.000 0.079 0.000 0.981 4 Q CA 1.681 57.495 55.803 0.018 0.000 0.856 4 Q CB -0.412 28.223 28.738 -0.171 0.000 0.902 4 Q HN 0.445 nan 8.270 nan 0.000 0.425 5 F N 2.668 122.611 119.950 -0.012 0.000 2.095 5 F HA -0.219 4.307 4.527 -0.001 0.000 0.298 5 F C 2.099 177.897 175.800 -0.003 0.000 1.104 5 F CA 1.802 59.815 58.000 0.021 0.000 1.232 5 F CB -0.260 38.807 39.000 0.112 0.000 0.987 5 F HN -0.030 nan 8.300 nan 0.000 0.475 6 K N -0.283 120.016 120.400 -0.168 0.000 2.148 6 K HA -0.146 4.174 4.320 -0.001 0.000 0.204 6 K C 1.690 178.228 176.600 -0.104 0.000 1.050 6 K CA 1.889 58.024 56.287 -0.252 0.000 0.942 6 K CB -0.871 31.399 32.500 -0.384 0.000 0.724 6 K HN 0.389 nan 8.250 nan 0.000 0.446 7 N N 0.722 119.400 118.700 -0.037 0.000 2.270 7 N HA -0.040 4.699 4.740 -0.001 0.000 0.181 7 N C 1.838 177.389 175.510 0.069 0.000 1.016 7 N CA 0.824 53.904 53.050 0.049 0.000 0.870 7 N CB -0.064 38.492 38.487 0.115 0.000 0.979 7 N HN 0.184 nan 8.380 nan 0.000 0.431 8 M N 0.747 120.355 119.600 0.013 0.000 2.460 8 M HA -0.030 4.449 4.480 -0.001 0.000 0.263 8 M C 1.473 177.754 176.300 -0.031 0.000 1.071 8 M CA 1.088 56.380 55.300 -0.012 0.000 1.096 8 M CB 0.137 32.672 32.600 -0.109 0.000 1.408 8 M HN 0.141 nan 8.290 nan 0.000 0.463 9 I N 0.331 120.845 120.570 -0.093 0.000 2.206 9 I HA -0.301 3.868 4.170 -0.001 0.000 0.239 9 I C 2.441 178.579 176.117 0.034 0.000 1.078 9 I CA 1.359 62.614 61.300 -0.074 0.000 1.367 9 I CB -0.482 37.454 38.000 -0.107 0.000 1.078 9 I HN 0.423 nan 8.210 nan 0.000 0.413 10 Q N 0.194 120.030 119.800 0.060 0.000 2.437 10 Q HA -0.193 4.146 4.340 -0.001 0.000 0.210 10 Q C 2.294 178.332 176.000 0.064 0.000 0.972 10 Q CA 1.286 57.134 55.803 0.074 0.000 0.903 10 Q CB -0.632 28.156 28.738 0.083 0.000 0.967 10 Q HN 0.588 nan 8.270 nan 0.000 0.486 11 c N 0.530 119.171 118.600 0.068 0.000 2.489 11 c HA 0.155 4.725 4.570 -0.001 0.000 0.279 11 c C 2.863 176.988 174.090 0.059 0.000 1.266 11 c CA 1.135 57.509 56.329 0.075 0.000 1.707 11 c CB -0.934 41.644 42.510 0.112 0.000 2.059 11 c HN 0.690 nan 8.230 nan 0.000 0.481 12 A N -0.059 122.791 122.820 0.050 0.000 1.929 12 A HA 0.398 4.718 4.320 -0.001 0.000 0.216 12 A C 1.434 179.046 177.584 0.046 0.000 1.176 12 A CA 1.732 53.793 52.037 0.039 0.000 0.628 12 A CB -0.976 18.036 19.000 0.020 0.000 0.816 12 A HN 0.762 nan 8.150 nan 0.000 0.444 13 G N -1.849 106.987 108.800 0.059 0.000 3.107 13 G HA2 0.501 4.461 3.960 -0.001 0.000 0.232 13 G HA3 0.501 4.461 3.960 -0.001 0.000 0.232 13 G C -0.016 174.917 174.900 0.055 0.000 1.339 13 G CA 0.383 45.524 45.100 0.069 0.000 1.033 13 G HN 0.567 nan 8.290 nan 0.000 0.567 18 I N 0.888 121.439 120.570 -0.031 0.000 3.378 18 I HA 0.156 4.326 4.170 -0.001 0.000 0.284 18 I C 1.623 177.813 176.117 0.122 0.000 1.157 18 I CA -0.336 61.004 61.300 0.067 0.000 1.193 18 I CB -0.112 37.888 38.000 -0.001 0.000 1.461 18 I HN 0.935 nan 8.210 nan 0.000 0.674 19 W N 1.338 122.673 121.300 0.059 0.000 2.465 19 W HA -0.134 4.525 4.660 -0.000 0.000 0.268 19 W C 1.786 178.355 176.519 0.083 0.000 1.242 19 W CA 1.621 59.031 57.345 0.107 0.000 1.248 19 W CB -2.072 27.393 29.460 0.009 0.000 1.118 19 W HN 0.726 nan 8.180 nan 0.000 0.587 20 T N -0.398 113.538 114.554 -1.031 0.000 2.867 20 T HA 0.042 4.392 4.350 -0.001 0.000 0.268 20 T C 2.146 176.555 174.700 -0.486 0.000 1.057 20 T CA 1.815 63.324 62.100 -0.986 0.000 1.136 20 T CB -0.762 67.580 68.868 -0.877 0.000 0.874 20 T HN 0.140 nan 8.240 nan 0.000 0.466 21 A N 0.360 122.900 122.820 -0.467 0.000 2.070 21 A HA 0.053 4.372 4.320 -0.001 0.000 0.220 21 A C 1.784 179.082 177.584 -0.478 0.000 1.159 21 A CA 0.993 52.714 52.037 -0.527 0.000 0.656 21 A CB -0.890 17.596 19.000 -0.857 0.000 0.800 21 A HN 0.747 nan 8.150 nan 0.000 0.453 22 Y N -1.850 118.380 120.300 -0.116 0.000 2.458 22 Y HA 0.119 4.668 4.550 -0.001 0.000 0.254 22 Y C 2.042 177.932 175.900 -0.016 0.000 1.120 22 Y CA 0.144 58.176 58.100 -0.113 0.000 1.282 22 Y CB 0.028 38.311 38.460 -0.294 0.000 1.109 22 Y HN 0.041 nan 8.280 nan 0.000 0.526 23 V N 0.445 120.400 119.914 0.068 0.000 2.527 23 V HA -0.253 3.867 4.120 -0.001 0.000 0.255 23 V C 1.052 177.203 176.094 0.095 0.000 1.081 23 V CA 1.658 64.011 62.300 0.088 0.000 1.092 23 V CB -0.980 30.809 31.823 -0.057 0.000 0.673 23 V HN 0.380 nan 8.190 nan 0.000 0.470 24 A N -1.213 121.655 122.820 0.079 0.000 2.872 24 A HA 0.647 4.967 4.320 -0.001 0.000 0.305 24 A C -1.255 176.393 177.584 0.108 0.000 1.171 24 A CA -0.317 51.765 52.037 0.075 0.000 0.782 24 A CB 0.598 19.614 19.000 0.026 0.000 1.329 24 A HN 0.249 nan 8.150 nan 0.000 0.432 25 Y N 1.367 121.652 120.300 -0.024 0.000 2.504 25 Y HA 0.552 5.102 4.550 -0.001 0.000 0.344 25 Y C 0.786 176.664 175.900 -0.036 0.000 1.023 25 Y CA 0.548 58.602 58.100 -0.077 0.000 1.020 25 Y CB 1.716 40.099 38.460 -0.129 0.000 1.282 25 Y HN 1.846 nan 8.280 nan 0.000 0.454 26 G N 2.087 110.572 108.800 -0.526 0.000 2.578 26 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.284 26 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.284 26 G C 0.649 175.506 174.900 -0.073 0.000 1.283 26 G CA 0.241 45.182 45.100 -0.264 0.000 0.944 26 G HN 1.043 nan 8.290 nan 0.000 0.558 27 c N -1.507 117.107 118.600 0.024 0.000 2.735 27 c HA 0.431 5.001 4.570 -0.001 0.000 0.271 27 c C 1.914 175.868 174.090 -0.227 0.000 1.281 27 c CA 1.186 57.470 56.329 -0.074 0.000 1.719 27 c CB -1.023 41.462 42.510 -0.042 0.000 2.024 27 c HN 0.506 nan 8.230 nan 0.000 0.566 28 Y N -1.091 119.276 120.300 0.112 0.000 2.452 28 Y HA 0.250 4.800 4.550 -0.001 0.000 0.262 28 Y C 1.428 177.423 175.900 0.158 0.000 1.089 28 Y CA -0.387 57.800 58.100 0.146 0.000 1.262 28 Y CB -0.215 38.371 38.460 0.211 0.000 1.236 28 Y HN 0.094 nan 8.280 nan 0.000 0.512 29 c N 2.279 121.060 118.600 0.302 0.000 2.555 29 c HA 0.642 5.212 4.570 -0.001 0.000 0.385 29 c C 1.085 175.294 174.090 0.199 0.000 1.296 29 c CA 0.261 56.747 56.329 0.261 0.000 1.757 29 c CB -1.086 41.576 42.510 0.254 0.000 2.445 29 c HN 0.756 nan 8.230 nan 0.000 0.571 30 G N 3.222 112.143 108.800 0.200 0.000 2.408 30 G HA2 0.032 3.992 3.960 -0.001 0.000 0.682 30 G HA3 0.032 3.992 3.960 -0.001 0.000 0.682 30 G C -0.822 174.155 174.900 0.130 0.000 1.303 30 G CA -0.972 44.225 45.100 0.162 0.000 0.966 30 G HN 0.707 nan 8.290 nan 0.000 0.560 31 K N 1.027 121.491 120.400 0.107 0.000 2.561 31 K HA 0.432 4.752 4.320 -0.001 0.000 0.280 31 K C 1.527 178.152 176.600 0.041 0.000 0.975 31 K CA 1.852 58.187 56.287 0.081 0.000 1.024 31 K CB 0.029 32.571 32.500 0.069 0.000 0.883 31 K HN 2.500 nan 8.250 nan 0.000 0.496 32 G N 1.914 110.735 108.800 0.034 0.000 2.578 32 G HA2 -0.073 3.886 3.960 -0.001 0.000 0.275 32 G HA3 -0.073 3.886 3.960 -0.001 0.000 0.275 32 G C 0.120 174.987 174.900 -0.055 0.000 1.271 32 G CA 0.040 45.137 45.100 -0.004 0.000 0.941 32 G HN 1.276 nan 8.290 nan 0.000 0.564 33 G N -2.431 106.268 108.800 -0.169 0.000 2.308 33 G HA2 0.708 4.668 3.960 -0.001 0.000 0.288 33 G HA3 0.708 4.668 3.960 -0.001 0.000 0.288 33 G C -0.563 174.007 174.900 -0.549 0.000 1.722 33 G CA 0.931 45.708 45.100 -0.539 0.000 0.924 33 G HN 2.681 nan 8.290 nan 0.000 0.732 34 S N 0.222 115.497 115.700 -0.709 0.000 2.656 34 S HA 1.027 5.497 4.470 -0.001 0.000 0.273 34 S C 0.686 175.214 174.600 -0.121 0.000 1.168 34 S CA 0.372 58.426 58.200 -0.242 0.000 0.817 34 S CB 1.434 64.568 63.200 -0.109 0.000 1.146 34 S HN 2.939 nan 8.310 nan 0.000 0.475 35 G N 0.593 109.440 108.800 0.079 0.000 2.645 35 G HA2 0.111 4.071 3.960 -0.001 0.000 0.239 35 G HA3 0.111 4.071 3.960 -0.001 0.000 0.239 35 G C -0.022 175.022 174.900 0.239 0.000 1.331 35 G CA 0.247 45.413 45.100 0.110 0.000 0.890 35 G HN 2.223 nan 8.290 nan 0.000 0.572 36 T N 0.254 114.894 114.554 0.143 0.000 2.824 36 T HA 0.675 5.024 4.350 -0.001 0.000 0.280 36 T C -2.313 172.440 174.700 0.089 0.000 0.995 36 T CA -0.948 61.190 62.100 0.063 0.000 1.009 36 T CB 1.800 70.654 68.868 -0.023 0.000 0.955 36 T HN 0.541 nan 8.240 nan 0.000 0.452 37 P HA -0.007 nan 4.420 nan 0.000 0.264 37 P C 1.241 178.561 177.300 0.034 0.000 1.179 37 P CA -0.212 62.923 63.100 0.059 0.000 0.763 37 P CB 0.440 32.072 31.700 -0.113 0.000 0.806 38 V N -0.433 119.515 119.914 0.056 0.000 2.725 38 V HA 0.057 4.177 4.120 -0.001 0.000 0.247 38 V C 0.551 176.659 176.094 0.023 0.000 1.058 38 V CA 1.532 63.840 62.300 0.013 0.000 1.080 38 V CB -0.887 30.917 31.823 -0.032 0.000 0.713 38 V HN 0.570 nan 8.190 nan 0.000 0.465 39 D N -1.679 118.760 120.400 0.066 0.000 2.744 39 D HA 0.206 4.845 4.640 -0.001 0.000 0.304 39 D C 0.986 177.346 176.300 0.100 0.000 1.179 39 D CA -0.158 53.889 54.000 0.079 0.000 1.024 39 D CB 1.157 42.018 40.800 0.102 0.000 1.453 39 D HN 0.024 nan 8.370 nan 0.000 0.529 40 E N -0.985 119.270 120.200 0.092 0.000 2.070 40 E HA -0.217 4.133 4.350 -0.001 0.000 0.197 40 E C 1.856 178.534 176.600 0.131 0.000 1.004 40 E CA 1.243 57.700 56.400 0.094 0.000 0.805 40 E CB -0.077 29.672 29.700 0.081 0.000 0.744 40 E HN 0.379 nan 8.360 nan 0.000 0.451 41 L N 1.320 122.630 121.223 0.145 0.000 2.017 41 L HA -0.168 4.171 4.340 -0.001 0.000 0.208 41 L C 1.936 178.935 176.870 0.216 0.000 1.073 41 L CA 2.253 57.179 54.840 0.144 0.000 0.745 41 L CB -0.595 41.435 42.059 -0.047 0.000 0.894 41 L HN 0.136 nan 8.230 nan 0.000 0.432 42 D N -0.715 119.852 120.400 0.278 0.000 2.221 42 D HA -0.196 4.444 4.640 -0.001 0.000 0.204 42 D C 2.317 178.762 176.300 0.241 0.000 0.982 42 D CA 0.983 55.168 54.000 0.308 0.000 0.857 42 D CB 0.045 41.007 40.800 0.271 0.000 0.934 42 D HN 0.292 nan 8.370 nan 0.000 0.475 43 R N -0.830 119.772 120.500 0.170 0.000 2.115 43 R HA -0.022 4.318 4.340 -0.001 0.000 0.226 43 R C 2.447 178.872 176.300 0.208 0.000 1.100 43 R CA 0.843 57.026 56.100 0.137 0.000 0.980 43 R CB -0.273 30.076 30.300 0.080 0.000 0.875 43 R HN 0.276 nan 8.270 nan 0.000 0.445 44 c N -0.436 118.303 118.600 0.231 0.000 2.413 44 c HA -0.166 4.404 4.570 -0.001 0.000 0.276 44 c C 2.802 177.071 174.090 0.299 0.000 1.248 44 c CA 0.412 56.889 56.329 0.248 0.000 1.742 44 c CB -0.786 41.966 42.510 0.403 0.000 2.017 44 c HN 0.630 nan 8.230 nan 0.000 0.481 45 c N -1.009 117.835 118.600 0.407 0.000 2.457 45 c HA -0.093 4.477 4.570 -0.001 0.000 0.278 45 c C 2.512 176.768 174.090 0.277 0.000 1.309 45 c CA 0.807 57.375 56.329 0.399 0.000 1.735 45 c CB -1.618 41.138 42.510 0.410 0.000 1.992 45 c HN 0.712 nan 8.230 nan 0.000 0.493 46 Y N 2.401 122.719 120.300 0.030 0.000 2.128 46 Y HA -0.241 4.309 4.550 -0.001 0.000 0.284 46 Y C 2.548 178.420 175.900 -0.047 0.000 1.154 46 Y CA 2.339 60.277 58.100 -0.270 0.000 1.149 46 Y CB -0.848 37.318 38.460 -0.490 0.000 0.976 46 Y HN 0.267 nan 8.280 nan 0.000 0.505 47 T N -0.181 114.389 114.554 0.027 0.000 2.746 47 T HA -0.236 4.113 4.350 -0.001 0.000 0.267 47 T C 1.842 176.516 174.700 -0.043 0.000 1.039 47 T CA 1.634 63.724 62.100 -0.018 0.000 1.142 47 T CB -0.672 68.228 68.868 0.052 0.000 0.866 47 T HN 0.595 nan 8.240 nan 0.000 0.444 48 H N 1.347 120.344 119.070 -0.121 0.000 2.352 48 H HA -0.133 4.423 4.556 -0.001 0.000 0.299 48 H C 1.587 176.752 175.328 -0.272 0.000 1.097 48 H CA 1.767 57.681 56.048 -0.224 0.000 1.311 48 H CB -0.002 29.611 29.762 -0.248 0.000 1.377 48 H HN 0.286 nan 8.280 nan 0.000 0.504 49 D N -0.170 120.085 120.400 -0.242 0.000 2.117 49 D HA -0.134 4.506 4.640 -0.001 0.000 0.198 49 D C 2.209 178.352 176.300 -0.262 0.000 0.982 49 D CA 0.901 54.727 54.000 -0.290 0.000 0.828 49 D CB -0.631 40.054 40.800 -0.191 0.000 0.967 49 D HN 0.534 nan 8.370 nan 0.000 0.464 50 H N -0.184 118.757 119.070 -0.216 0.000 2.421 50 H HA -0.049 4.507 4.556 -0.001 0.000 0.298 50 H C 2.301 177.593 175.328 -0.060 0.000 1.087 50 H CA 0.586 56.532 56.048 -0.170 0.000 1.330 50 H CB -0.523 29.070 29.762 -0.283 0.000 1.388 50 H HN 0.214 nan 8.280 nan 0.000 0.526 51 c N 0.627 119.245 118.600 0.030 0.000 2.429 51 c HA -0.177 4.393 4.570 -0.001 0.000 0.277 51 c C 2.583 176.810 174.090 0.228 0.000 1.262 51 c CA 0.463 56.838 56.329 0.076 0.000 1.733 51 c CB -1.258 41.202 42.510 -0.084 0.000 2.010 51 c HN 0.450 nan 8.230 nan 0.000 0.483 52 Y N 1.049 121.247 120.300 -0.170 0.000 2.242 52 Y HA -0.076 4.474 4.550 -0.000 0.000 0.291 52 Y C 2.369 178.244 175.900 -0.040 0.000 1.137 52 Y CA 1.534 59.557 58.100 -0.128 0.000 1.181 52 Y CB -1.204 37.119 38.460 -0.228 0.000 0.989 52 Y HN 0.487 nan 8.280 nan 0.000 0.527 53 N N -0.139 118.636 118.700 0.125 0.000 2.166 53 N HA -0.179 4.561 4.740 -0.001 0.000 0.186 53 N C 1.616 177.158 175.510 0.055 0.000 1.019 53 N CA 1.006 54.099 53.050 0.071 0.000 0.856 53 N CB 0.043 38.568 38.487 0.064 0.000 0.993 53 N HN 0.460 nan 8.380 nan 0.000 0.426 54 E N 0.303 120.563 120.200 0.099 0.000 2.072 54 E HA -0.101 4.248 4.350 -0.001 0.000 0.190 54 E C 2.044 178.579 176.600 -0.109 0.000 0.982 54 E CA 0.685 57.110 56.400 0.041 0.000 0.803 54 E CB -0.070 29.756 29.700 0.209 0.000 0.755 54 E HN 0.375 nan 8.360 nan 0.000 0.453 55 A N 1.765 124.611 122.820 0.044 0.000 1.986 55 A HA -0.259 4.061 4.320 -0.001 0.000 0.220 55 A C 1.852 179.344 177.584 -0.154 0.000 1.171 55 A CA 1.524 53.513 52.037 -0.082 0.000 0.640 55 A CB -0.473 18.537 19.000 0.017 0.000 0.811 55 A HN 0.202 nan 8.150 nan 0.000 0.451 56 E N -0.400 119.743 120.200 -0.096 0.000 2.347 56 E HA -0.102 4.247 4.350 -0.001 0.000 0.196 56 E C 0.911 177.454 176.600 -0.095 0.000 1.008 56 E CA 0.583 56.933 56.400 -0.083 0.000 0.852 56 E CB 0.000 29.675 29.700 -0.043 0.000 0.783 56 E HN 0.387 nan 8.360 nan 0.000 0.505 57 K N 0.499 120.824 120.400 -0.125 0.000 2.505 57 K HA 0.130 4.450 4.320 -0.001 0.000 0.192 57 K C 0.516 177.023 176.600 -0.156 0.000 1.025 57 K CA 0.248 56.462 56.287 -0.123 0.000 1.086 57 K CB 0.138 32.565 32.500 -0.120 0.000 0.840 57 K HN 0.177 nan 8.250 nan 0.000 0.514 58 I N 2.829 123.290 120.570 -0.183 0.000 2.336 58 I HA 0.157 4.327 4.170 -0.001 0.000 0.292 58 I C -2.281 173.769 176.117 -0.112 0.000 0.991 58 I CA -2.571 58.622 61.300 -0.177 0.000 1.227 58 I CB 1.383 39.242 38.000 -0.235 0.000 1.366 58 I HN -0.285 nan 8.210 nan 0.000 0.466 59 P HA -0.045 nan 4.420 nan 0.000 0.260 59 P C 0.509 177.777 177.300 -0.053 0.000 1.172 59 P CA 0.642 63.705 63.100 -0.061 0.000 0.760 59 P CB 0.329 31.998 31.700 -0.051 0.000 0.773 60 G N 2.623 111.396 108.800 -0.044 0.000 2.371 60 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.299 60 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.299 60 G C -0.011 174.864 174.900 -0.041 0.000 1.014 60 G CA -0.135 44.944 45.100 -0.036 0.000 1.097 60 G HN 0.765 nan 8.290 nan 0.000 0.512 61 c N 1.526 120.093 118.600 -0.054 0.000 2.407 61 c HA 0.655 5.225 4.570 -0.001 0.000 0.328 61 c C -0.072 173.974 174.090 -0.073 0.000 1.137 61 c CA -1.366 54.925 56.329 -0.063 0.000 1.390 61 c CB 0.632 43.090 42.510 -0.087 0.000 1.989 61 c HN 0.612 nan 8.230 nan 0.000 0.432 62 N N 6.351 125.011 118.700 -0.067 0.000 2.479 62 N HA 0.353 5.092 4.740 -0.001 0.000 0.261 62 N C -1.413 174.028 175.510 -0.114 0.000 0.979 62 N CA -1.629 51.376 53.050 -0.075 0.000 0.930 62 N CB 2.384 40.845 38.487 -0.044 0.000 1.172 62 N HN 0.435 nan 8.380 nan 0.000 0.499 63 P HA -0.145 nan 4.420 nan 0.000 0.218 63 P C 0.469 177.650 177.300 -0.197 0.000 1.146 63 P CA 1.213 64.067 63.100 -0.411 0.000 0.813 63 P CB 0.610 31.755 31.700 -0.925 0.000 0.778 64 N N 0.574 119.237 118.700 -0.061 0.000 2.173 64 N HA -0.049 4.691 4.740 -0.001 0.000 0.184 64 N C 2.141 177.649 175.510 -0.004 0.000 1.025 64 N CA 1.353 54.414 53.050 0.019 0.000 0.852 64 N CB -0.594 37.918 38.487 0.042 0.000 0.998 64 N HN 0.366 nan 8.380 nan 0.000 0.427 65 I N -2.078 118.479 120.570 -0.022 0.000 3.035 65 I HA 0.158 4.327 4.170 -0.001 0.000 0.271 65 I C 0.621 176.714 176.117 -0.039 0.000 1.190 65 I CA 0.103 61.387 61.300 -0.027 0.000 1.472 65 I CB -0.030 37.958 38.000 -0.020 0.000 1.116 65 I HN -0.276 nan 8.210 nan 0.000 0.443 66 K N 3.459 123.837 120.400 -0.038 0.000 2.453 66 K HA 0.123 4.443 4.320 -0.001 0.000 0.280 66 K C -0.569 176.001 176.600 -0.049 0.000 1.045 66 K CA 0.472 56.746 56.287 -0.022 0.000 1.059 66 K CB 0.266 32.768 32.500 0.003 0.000 0.901 66 K HN 0.152 nan 8.250 nan 0.000 0.475 67 T N 5.821 120.336 114.554 -0.065 0.000 2.767 67 T HA 0.357 4.707 4.350 -0.001 0.000 0.288 67 T C -0.329 174.334 174.700 -0.063 0.000 0.963 67 T CA -0.338 61.667 62.100 -0.159 0.000 1.019 67 T CB 0.121 68.925 68.868 -0.106 0.000 0.923 67 T HN 0.403 nan 8.240 nan 0.000 0.468 68 Y N 0.414 120.755 120.300 0.068 0.000 2.732 68 Y HA 0.847 5.397 4.550 -0.001 0.000 0.327 68 Y C 0.135 176.119 175.900 0.140 0.000 1.162 68 Y CA -1.416 56.733 58.100 0.082 0.000 1.238 68 Y CB 0.802 39.303 38.460 0.068 0.000 1.443 68 Y HN 0.352 nan 8.280 nan 0.000 0.584 69 S N 0.289 116.258 115.700 0.448 0.000 2.482 69 S HA 0.629 5.099 4.470 -0.001 0.000 0.303 69 S C -1.623 173.236 174.600 0.430 0.000 1.091 69 S CA -0.764 57.625 58.200 0.316 0.000 1.057 69 S CB 0.844 64.133 63.200 0.149 0.000 1.031 69 S HN 0.744 nan 8.310 nan 0.000 0.485 70 Y N -0.973 119.432 120.300 0.175 0.000 2.677 70 Y HA 0.765 5.314 4.550 -0.001 0.000 0.334 70 Y C -0.922 175.031 175.900 0.089 0.000 1.196 70 Y CA -0.947 57.232 58.100 0.132 0.000 1.059 70 Y CB 1.122 39.697 38.460 0.191 0.000 1.315 70 Y HN 0.505 nan 8.280 nan 0.000 0.455 71 T N 1.020 115.546 114.554 -0.046 0.000 2.900 71 T HA 0.533 4.882 4.350 -0.001 0.000 0.295 71 T C -1.841 172.880 174.700 0.035 0.000 1.044 71 T CA -0.523 61.492 62.100 -0.141 0.000 0.995 71 T CB 1.181 70.017 68.868 -0.054 0.000 1.072 71 T HN 1.113 nan 8.240 nan 0.000 0.473 72 c N 4.063 122.661 118.600 -0.003 0.000 2.316 72 c HA 0.732 5.302 4.570 -0.001 0.000 0.324 72 c C 0.163 174.277 174.090 0.041 0.000 1.226 72 c CA -0.251 56.129 56.329 0.084 0.000 1.450 72 c CB -0.489 42.106 42.510 0.142 0.000 2.123 72 c HN 0.911 nan 8.230 nan 0.000 0.454 73 T N 5.617 120.197 114.554 0.043 0.000 3.336 73 T HA 0.172 4.522 4.350 -0.001 0.000 0.384 73 T C 0.018 174.738 174.700 0.034 0.000 1.704 73 T CA 0.225 62.342 62.100 0.028 0.000 1.334 73 T CB 0.065 68.945 68.868 0.021 0.000 1.131 73 T HN 0.898 nan 8.240 nan 0.000 0.684 74 Q N 3.928 123.751 119.800 0.039 0.000 2.757 74 Q HA -0.075 4.265 4.340 -0.001 0.000 0.366 74 Q C -1.436 174.582 176.000 0.030 0.000 1.083 74 Q CA -0.203 55.623 55.803 0.039 0.000 1.146 74 Q CB 0.644 29.404 28.738 0.037 0.000 1.060 74 Q HN 0.265 nan 8.270 nan 0.000 0.416 75 P HA 0.122 nan 4.420 nan 0.000 0.243 75 P C -1.122 176.201 177.300 0.038 0.000 1.672 75 P CA -0.058 63.064 63.100 0.036 0.000 1.000 75 P CB 0.270 31.988 31.700 0.031 0.000 1.562 76 N N 1.089 119.813 118.700 0.041 0.000 2.426 76 N HA 0.297 5.037 4.740 -0.001 0.000 0.275 76 N C -0.254 175.296 175.510 0.067 0.000 1.019 76 N CA -0.296 52.779 53.050 0.043 0.000 0.941 76 N CB 1.791 40.298 38.487 0.033 0.000 1.123 76 N HN 0.160 nan 8.380 nan 0.000 0.486 77 L N 1.446 122.710 121.223 0.069 0.000 2.329 77 L HA 0.498 4.837 4.340 -0.001 0.000 0.279 77 L C 0.055 176.980 176.870 0.092 0.000 1.014 77 L CA -0.415 54.492 54.840 0.112 0.000 0.814 77 L CB 1.836 43.947 42.059 0.086 0.000 1.257 77 L HN 0.355 nan 8.230 nan 0.000 0.424 78 T N 0.875 115.511 114.554 0.137 0.000 2.928 78 T HA 0.270 4.620 4.350 -0.001 0.000 0.296 78 T C -0.862 173.919 174.700 0.135 0.000 1.000 78 T CA -0.369 61.787 62.100 0.094 0.000 0.989 78 T CB 1.237 70.143 68.868 0.064 0.000 1.005 78 T HN 0.465 nan 8.240 nan 0.000 0.442 79 c N 3.522 122.165 118.600 0.072 0.000 2.246 79 c HA 0.351 4.921 4.570 -0.001 0.000 0.329 79 c C 2.237 176.362 174.090 0.058 0.000 1.221 79 c CA -0.527 55.843 56.329 0.068 0.000 1.697 79 c CB -0.611 41.874 42.510 -0.043 0.000 2.312 79 c HN 1.109 nan 8.230 nan 0.000 0.509 80 T N -0.777 113.830 114.554 0.088 0.000 3.023 80 T HA -0.038 4.311 4.350 -0.001 0.000 0.266 80 T C 0.107 174.838 174.700 0.051 0.000 1.093 80 T CA 0.362 62.498 62.100 0.059 0.000 1.129 80 T CB -0.408 68.493 68.868 0.054 0.000 0.899 80 T HN 0.700 nan 8.240 nan 0.000 0.491 81 D N 1.496 121.935 120.400 0.065 0.000 2.455 81 D HA 0.364 5.004 4.640 -0.001 0.000 0.241 81 D C 0.875 177.195 176.300 0.033 0.000 1.138 81 D CA 0.243 54.276 54.000 0.056 0.000 0.877 81 D CB 1.011 41.855 40.800 0.073 0.000 1.187 81 D HN 0.222 nan 8.370 nan 0.000 0.451 82 S N 0.781 116.499 115.700 0.030 0.000 2.918 82 S HA 0.222 4.692 4.470 -0.001 0.000 0.264 82 S C 1.600 176.213 174.600 0.021 0.000 1.078 82 S CA 0.452 58.665 58.200 0.022 0.000 0.918 82 S CB -0.068 63.142 63.200 0.017 0.000 0.882 82 S HN 0.431 nan 8.310 nan 0.000 0.466 83 A N 1.214 124.047 122.820 0.022 0.000 1.874 83 A HA 0.141 4.460 4.320 -0.001 0.000 0.214 83 A C 0.963 178.559 177.584 0.019 0.000 1.189 83 A CA 1.040 53.088 52.037 0.018 0.000 0.615 83 A CB -0.602 18.407 19.000 0.016 0.000 0.830 83 A HN 0.520 nan 8.150 nan 0.000 0.443 84 D N 0.259 120.676 120.400 0.028 0.000 2.346 84 D HA 0.189 4.829 4.640 -0.001 0.000 0.260 84 D C 0.807 177.128 176.300 0.034 0.000 1.252 84 D CA 0.387 54.405 54.000 0.030 0.000 0.895 84 D CB 1.032 41.859 40.800 0.044 0.000 1.097 84 D HN 0.223 nan 8.370 nan 0.000 0.489 85 T N 2.566 117.133 114.554 0.022 0.000 2.737 85 T HA -0.164 4.185 4.350 -0.001 0.000 0.265 85 T C 2.036 176.766 174.700 0.050 0.000 1.038 85 T CA 0.795 62.911 62.100 0.028 0.000 1.144 85 T CB -0.377 68.487 68.868 -0.006 0.000 0.866 85 T HN 0.681 nan 8.240 nan 0.000 0.434 86 c N 1.921 120.534 118.600 0.023 0.000 2.413 86 c HA -0.026 4.544 4.570 -0.001 0.000 0.277 86 c C 3.156 177.296 174.090 0.084 0.000 1.228 86 c CA 1.011 57.359 56.329 0.032 0.000 1.731 86 c CB -1.471 41.039 42.510 0.001 0.000 2.042 86 c HN 0.598 nan 8.230 nan 0.000 0.468 87 A N -0.379 122.494 122.820 0.088 0.000 1.908 87 A HA -0.256 4.064 4.320 -0.001 0.000 0.218 87 A C 2.237 179.844 177.584 0.039 0.000 1.181 87 A CA 2.057 54.175 52.037 0.135 0.000 0.627 87 A CB -1.006 18.091 19.000 0.163 0.000 0.818 87 A HN 0.867 nan 8.150 nan 0.000 0.445 88 Q N -1.438 118.387 119.800 0.041 0.000 1.967 88 Q HA -0.221 4.119 4.340 -0.001 0.000 0.202 88 Q C 1.996 177.981 176.000 -0.026 0.000 0.985 88 Q CA 2.048 57.853 55.803 0.003 0.000 0.839 88 Q CB -0.383 28.378 28.738 0.039 0.000 0.906 88 Q HN 0.599 nan 8.270 nan 0.000 0.423 89 F N 0.780 120.671 119.950 -0.098 0.000 2.126 89 F HA -0.260 4.266 4.527 -0.000 0.000 0.299 89 F C 2.010 177.718 175.800 -0.154 0.000 1.096 89 F CA 1.351 59.286 58.000 -0.108 0.000 1.255 89 F CB -0.258 38.690 39.000 -0.086 0.000 0.997 89 F HN 0.241 nan 8.300 nan 0.000 0.479 90 L N -0.121 121.119 121.223 0.029 0.000 2.056 90 L HA -0.199 4.140 4.340 -0.001 0.000 0.207 90 L C 2.621 179.251 176.870 -0.400 0.000 1.078 90 L CA 1.787 56.555 54.840 -0.121 0.000 0.749 90 L CB -1.255 40.803 42.059 -0.001 0.000 0.901 90 L HN 0.474 nan 8.230 nan 0.000 0.433 91 c N -0.570 117.638 118.600 -0.654 0.000 2.429 91 c HA -0.134 4.435 4.570 -0.001 0.000 0.277 91 c C 2.817 176.594 174.090 -0.521 0.000 1.262 91 c CA 0.965 56.672 56.329 -1.038 0.000 1.733 91 c CB -0.875 41.106 42.510 -0.882 0.000 2.010 91 c HN 0.647 nan 8.230 nan 0.000 0.483 92 E N 0.168 120.135 120.200 -0.388 0.000 2.085 92 E HA -0.190 4.160 4.350 -0.001 0.000 0.194 92 E C 2.199 178.610 176.600 -0.315 0.000 0.994 92 E CA 1.885 58.092 56.400 -0.321 0.000 0.801 92 E CB -0.554 28.941 29.700 -0.341 0.000 0.743 92 E HN 0.759 nan 8.360 nan 0.000 0.453 93 c N 1.194 119.575 118.600 -0.365 0.000 2.388 93 c HA -0.170 4.400 4.570 -0.001 0.000 0.277 93 c C 2.385 176.415 174.090 -0.100 0.000 1.210 93 c CA 1.092 57.282 56.329 -0.232 0.000 1.743 93 c CB -1.058 41.365 42.510 -0.145 0.000 2.047 93 c HN 0.480 nan 8.230 nan 0.000 0.458 94 D N -0.123 120.207 120.400 -0.117 0.000 2.097 94 D HA -0.130 4.509 4.640 -0.001 0.000 0.195 94 D C 2.283 178.564 176.300 -0.033 0.000 0.989 94 D CA 1.059 54.999 54.000 -0.101 0.000 0.827 94 D CB -0.574 40.240 40.800 0.023 0.000 0.966 94 D HN 0.494 nan 8.370 nan 0.000 0.456 95 R N 0.320 120.743 120.500 -0.127 0.000 2.081 95 R HA -0.120 4.220 4.340 -0.001 0.000 0.235 95 R C 1.961 178.188 176.300 -0.122 0.000 1.131 95 R CA 1.732 57.764 56.100 -0.113 0.000 0.960 95 R CB -0.275 29.948 30.300 -0.130 0.000 0.856 95 R HN 0.078 nan 8.270 nan 0.000 0.436 96 T N 0.607 115.075 114.554 -0.143 0.000 2.684 96 T HA -0.131 4.219 4.350 -0.001 0.000 0.267 96 T C 1.828 176.404 174.700 -0.207 0.000 1.036 96 T CA 1.460 63.473 62.100 -0.145 0.000 1.148 96 T CB -0.317 68.467 68.868 -0.140 0.000 0.863 96 T HN 0.483 nan 8.240 nan 0.000 0.436 97 A N 1.441 124.095 122.820 -0.277 0.000 1.898 97 A HA 0.210 4.530 4.320 -0.001 0.000 0.216 97 A C 2.672 179.728 177.584 -0.881 0.000 1.181 97 A CA 1.777 53.442 52.037 -0.621 0.000 0.620 97 A CB -1.171 17.395 19.000 -0.723 0.000 0.819 97 A HN 0.499 nan 8.150 nan 0.000 0.442 98 A N 0.108 122.660 122.820 -0.446 0.000 1.883 98 A HA -0.139 4.180 4.320 -0.001 0.000 0.217 98 A C 2.132 179.598 177.584 -0.197 0.000 1.186 98 A CA 1.687 53.531 52.037 -0.321 0.000 0.624 98 A CB -0.677 18.248 19.000 -0.125 0.000 0.822 98 A HN 0.505 nan 8.150 nan 0.000 0.444 99 I N -1.091 119.392 120.570 -0.145 0.000 2.226 99 I HA -0.282 3.888 4.170 -0.001 0.000 0.245 99 I C 2.696 178.782 176.117 -0.053 0.000 1.100 99 I CA 1.115 62.374 61.300 -0.069 0.000 1.374 99 I CB -0.482 37.485 38.000 -0.056 0.000 1.057 99 I HN 0.559 nan 8.210 nan 0.000 0.413 100 c N 1.011 119.541 118.600 -0.116 0.000 2.413 100 c HA -0.228 4.342 4.570 -0.001 0.000 0.277 100 c C 2.843 176.995 174.090 0.103 0.000 1.228 100 c CA 0.764 57.070 56.329 -0.039 0.000 1.731 100 c CB -1.023 41.427 42.510 -0.099 0.000 2.042 100 c HN 0.428 nan 8.230 nan 0.000 0.468 101 F N 1.841 121.736 119.950 -0.092 0.000 2.091 101 F HA -0.107 4.420 4.527 -0.001 0.000 0.299 101 F C 2.656 178.462 175.800 0.011 0.000 1.103 101 F CA 1.452 59.377 58.000 -0.124 0.000 1.228 101 F CB -1.717 37.021 39.000 -0.437 0.000 0.984 101 F HN 0.331 nan 8.300 nan 0.000 0.477 102 A N -1.113 121.828 122.820 0.202 0.000 2.015 102 A HA -0.099 4.221 4.320 -0.001 0.000 0.219 102 A C 2.367 180.015 177.584 0.106 0.000 1.163 102 A CA 1.775 53.897 52.037 0.141 0.000 0.646 102 A CB -0.758 18.296 19.000 0.089 0.000 0.806 102 A HN 0.329 nan 8.150 nan 0.000 0.448 103 S N -0.730 115.027 115.700 0.094 0.000 2.478 103 S HA 0.421 4.890 4.470 -0.001 0.000 0.222 103 S C 1.094 175.745 174.600 0.084 0.000 1.008 103 S CA 0.300 58.544 58.200 0.072 0.000 0.928 103 S CB -0.134 63.096 63.200 0.051 0.000 0.781 103 S HN 0.733 nan 8.310 nan 0.000 0.518 104 A N 3.058 125.946 122.820 0.113 0.000 2.304 104 A HA 0.587 4.907 4.320 -0.001 0.000 0.271 104 A C -2.256 175.396 177.584 0.112 0.000 1.091 104 A CA -1.385 50.719 52.037 0.111 0.000 0.812 104 A CB -0.141 18.938 19.000 0.132 0.000 1.056 104 A HN 0.159 nan 8.150 nan 0.000 0.489 105 P HA 0.230 nan 4.420 nan 0.000 0.278 105 P C -1.543 175.833 177.300 0.127 0.000 1.258 105 P CA -0.002 63.162 63.100 0.108 0.000 0.811 105 P CB 0.594 32.346 31.700 0.087 0.000 1.063 106 Y N 1.236 121.534 120.300 -0.003 0.000 2.555 106 Y HA 0.252 4.802 4.550 -0.001 0.000 0.326 106 Y C -0.095 175.850 175.900 0.076 0.000 0.984 106 Y CA -0.710 57.369 58.100 -0.035 0.000 1.298 106 Y CB 0.303 38.687 38.460 -0.127 0.000 1.094 106 Y HN 0.195 nan 8.280 nan 0.000 0.500 107 N N 3.940 122.692 118.700 0.087 0.000 2.482 107 N HA -0.007 4.733 4.740 -0.001 0.000 0.242 107 N C 1.008 176.538 175.510 0.034 0.000 1.100 107 N CA 0.383 53.482 53.050 0.081 0.000 0.946 107 N CB 1.318 39.835 38.487 0.050 0.000 1.227 107 N HN 0.747 nan 8.380 nan 0.000 0.508 108 S N 1.631 117.402 115.700 0.119 0.000 2.520 108 S HA -0.183 4.287 4.470 -0.001 0.000 0.249 108 S C 1.208 175.805 174.600 -0.005 0.000 0.983 108 S CA 0.608 58.880 58.200 0.121 0.000 0.958 108 S CB -0.143 63.168 63.200 0.184 0.000 0.750 108 S HN 0.465 nan 8.310 nan 0.000 0.527 109 N N 2.752 121.428 118.700 -0.040 0.000 2.216 109 N HA -0.038 4.701 4.740 -0.001 0.000 0.183 109 N C 0.684 176.094 175.510 -0.166 0.000 1.017 109 N CA 0.826 53.831 53.050 -0.076 0.000 0.861 109 N CB -0.735 37.720 38.487 -0.053 0.000 0.986 109 N HN 0.439 nan 8.380 nan 0.000 0.428 110 N N 0.998 119.528 118.700 -0.283 0.000 2.421 110 N HA 0.136 4.876 4.740 -0.001 0.000 0.201 110 N C 0.064 175.137 175.510 -0.727 0.000 1.198 110 N CA 0.076 52.822 53.050 -0.507 0.000 0.838 110 N CB 0.387 38.484 38.487 -0.651 0.000 1.011 110 N HN 0.352 nan 8.380 nan 0.000 0.463 111 I N 0.872 121.187 120.570 -0.426 0.000 2.428 111 I HA 0.068 4.237 4.170 -0.001 0.000 0.289 111 I C 0.959 176.969 176.117 -0.178 0.000 1.019 111 I CA -0.422 60.717 61.300 -0.268 0.000 1.351 111 I CB 0.600 38.564 38.000 -0.060 0.000 1.412 111 I HN 0.013 nan 8.210 nan 0.000 0.513 112 M N 7.300 126.819 119.600 -0.135 0.000 3.892 112 M HA -0.193 4.287 4.480 -0.001 0.000 0.158 112 M C -1.182 175.057 176.300 -0.102 0.000 1.509 112 M CA 0.865 56.109 55.300 -0.092 0.000 1.050 112 M CB -0.406 32.161 32.600 -0.055 0.000 1.335 112 M HN 0.506 nan 8.290 nan 0.000 0.336 116 S N 1.002 116.672 115.700 -0.050 0.000 2.641 116 S HA 0.335 4.804 4.470 -0.001 0.000 0.261 116 S C 1.309 175.887 174.600 -0.036 0.000 1.257 116 S CA 0.095 58.269 58.200 -0.043 0.000 0.983 116 S CB -0.015 63.154 63.200 -0.051 0.000 0.990 116 S HN 0.689 nan 8.310 nan 0.000 0.572 117 T N 1.511 116.047 114.554 -0.029 0.000 2.849 117 T HA -0.092 4.258 4.350 -0.001 0.000 0.270 117 T C 1.977 176.664 174.700 -0.021 0.000 1.066 117 T CA 1.635 63.722 62.100 -0.022 0.000 1.130 117 T CB -0.759 68.098 68.868 -0.018 0.000 0.864 117 T HN 0.624 nan 8.240 nan 0.000 0.481 118 S N 0.649 116.332 115.700 -0.028 0.000 2.400 118 S HA -0.104 4.365 4.470 -0.001 0.000 0.232 118 S C 1.413 176.002 174.600 -0.017 0.000 1.025 118 S CA 0.701 58.886 58.200 -0.024 0.000 0.993 118 S CB -0.414 62.763 63.200 -0.038 0.000 0.808 118 S HN 0.577 nan 8.310 nan 0.000 0.478 119 c N 3.626 122.208 118.600 -0.030 0.000 2.694 119 c HA 0.353 4.923 4.570 -0.001 0.000 0.517 119 c C 0.873 174.945 174.090 -0.030 0.000 1.184 119 c CA -1.281 55.026 56.329 -0.038 0.000 1.476 119 c CB -1.933 40.533 42.510 -0.074 0.000 1.743 119 c HN 0.438 nan 8.230 nan 0.000 0.612 120 Q N 0.000 119.796 119.800 -0.007 0.000 2.315 120 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 120 Q CA 0.000 55.803 55.803 0.000 0.000 1.022 120 Q CB 0.000 28.749 28.738 0.019 0.000 1.108 120 Q HN 0.000 nan 8.270 nan 0.000 0.481