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 2qt1_1_A DATA FIRST_RESID -4 DATA SEQUENCE LVPRGSKTFI IGISGVTNSG KTTLAKNLQK HLPNCSVISQ DDFFKPESEI DATA SEQUENCE ETDKNGFLQY DVLEALNXEK XXSAISCWXE SARHSVVSTX XXXXEEIPIL DATA SEQUENCE IIEGFLLFNY KPLDTIWNRS YFLTIPYEEC KRRRSTRVYQ PPDSPGYFDG DATA SEQUENCE HVWPXYLKYR QEXQDITWEV VYLDGTKSEE DLFLQVYEDL IQEL 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 -4 L HA 0.000 nan 4.340 nan 0.000 0.249 -4 L C 0.000 176.870 176.870 -0.001 0.000 1.165 -4 L CA 0.000 54.840 54.840 0.001 0.000 0.813 -4 L CB 0.000 42.060 42.059 0.001 0.000 0.961 -3 V N 2.346 122.260 119.914 -0.001 0.000 2.446 -3 V HA 0.157 4.271 4.120 -0.011 0.000 0.276 -3 V C -1.800 174.292 176.094 -0.003 0.000 1.030 -3 V CA -0.992 61.306 62.300 -0.002 0.000 1.033 -3 V CB 0.262 32.084 31.823 -0.002 0.000 0.993 -3 V HN 0.537 nan 8.190 nan 0.000 0.477 -2 P HA 0.186 nan 4.420 nan 0.000 0.264 -2 P C 0.052 177.346 177.300 -0.010 0.000 1.183 -2 P CA 0.133 63.229 63.100 -0.007 0.000 0.763 -2 P CB 0.486 32.181 31.700 -0.009 0.000 0.807 -1 R N 1.113 121.608 120.500 -0.009 0.000 2.553 -1 R HA 0.574 4.907 4.340 -0.011 0.000 0.263 -1 R C 1.137 177.422 176.300 -0.026 0.000 1.066 -1 R CA -0.004 56.089 56.100 -0.012 0.000 1.135 -1 R CB 0.605 30.902 30.300 -0.005 0.000 1.148 -1 R HN 0.753 nan 8.270 nan 0.000 0.558 0 G N -0.574 108.205 108.800 -0.035 0.000 2.253 0 G HA2 -0.304 3.649 3.960 -0.011 0.000 0.209 0 G HA3 -0.304 3.649 3.960 -0.011 0.000 0.209 0 G C 0.732 175.575 174.900 -0.096 0.000 0.997 0 G CA 0.362 45.421 45.100 -0.069 0.000 0.640 0 G HN 0.606 nan 8.290 nan 0.000 0.496 1 S N -0.192 115.468 115.700 -0.068 0.000 2.503 1 S HA 0.367 4.830 4.470 -0.011 0.000 0.215 1 S C 0.866 175.438 174.600 -0.046 0.000 1.003 1 S CA 0.539 58.695 58.200 -0.074 0.000 0.910 1 S CB 0.297 63.462 63.200 -0.057 0.000 0.790 1 S HN 0.469 nan 8.310 nan 0.000 0.514 2 K N 2.579 122.970 120.400 -0.016 0.000 2.326 2 K HA 0.352 4.665 4.320 -0.011 0.000 0.275 2 K C -0.066 176.572 176.600 0.062 0.000 1.018 2 K CA 0.304 56.606 56.287 0.026 0.000 0.962 2 K CB 0.829 33.356 32.500 0.046 0.000 0.953 2 K HN 0.523 nan 8.250 nan 0.000 0.475 3 T N -0.989 113.636 114.554 0.118 0.000 2.901 3 T HA 0.544 4.888 4.350 -0.011 0.000 0.293 3 T C -1.135 173.728 174.700 0.272 0.000 1.084 3 T CA -0.838 61.412 62.100 0.251 0.000 1.008 3 T CB 0.928 70.003 68.868 0.345 0.000 1.170 3 T HN 0.407 nan 8.240 nan 0.000 0.509 4 F N 1.327 121.388 119.950 0.184 0.000 2.499 4 F HA 0.711 5.231 4.527 -0.011 0.000 0.333 4 F C -1.226 174.625 175.800 0.086 0.000 1.138 4 F CA -1.227 56.840 58.000 0.111 0.000 0.945 4 F CB 0.990 40.051 39.000 0.101 0.000 1.181 4 F HN 0.556 nan 8.300 nan 0.000 0.435 5 I N 7.114 127.555 120.570 -0.216 0.000 2.406 5 I HA 0.383 4.546 4.170 -0.011 0.000 0.290 5 I C -0.862 175.260 176.117 0.008 0.000 0.999 5 I CA -0.775 60.475 61.300 -0.084 0.000 1.124 5 I CB 1.619 39.524 38.000 -0.158 0.000 1.289 5 I HN 0.353 nan 8.210 nan 0.000 0.441 6 I N 4.837 125.537 120.570 0.216 0.000 2.378 6 I HA 0.401 4.564 4.170 -0.011 0.000 0.291 6 I C 0.549 176.914 176.117 0.413 0.000 0.992 6 I CA -0.231 61.270 61.300 0.336 0.000 1.154 6 I CB 1.668 39.900 38.000 0.388 0.000 1.315 6 I HN 0.603 nan 8.210 nan 0.000 0.448 7 G N 7.106 116.134 108.800 0.380 0.000 2.335 7 G HA2 0.691 4.644 3.960 -0.011 0.000 0.316 7 G HA3 0.691 4.644 3.960 -0.011 0.000 0.316 7 G C -0.624 174.406 174.900 0.216 0.000 1.129 7 G CA -0.350 44.816 45.100 0.110 0.000 0.899 7 G HN 0.504 nan 8.290 nan 0.000 0.448 8 I N 2.278 122.914 120.570 0.109 0.000 2.420 8 I HA 0.318 4.481 4.170 -0.011 0.000 0.282 8 I C 0.242 176.277 176.117 -0.135 0.000 1.019 8 I CA -0.315 61.047 61.300 0.103 0.000 1.130 8 I CB 1.686 39.760 38.000 0.123 0.000 1.262 8 I HN 0.482 nan 8.210 nan 0.000 0.454 9 S N 3.921 119.447 115.700 -0.289 0.000 2.823 9 S HA 1.017 5.480 4.470 -0.011 0.000 0.316 9 S C -0.324 173.876 174.600 -0.666 0.000 1.116 9 S CA -0.079 57.826 58.200 -0.491 0.000 0.911 9 S CB 2.070 64.772 63.200 -0.830 0.000 1.276 9 S HN 0.932 nan 8.310 nan 0.000 0.565 10 G N -0.380 107.869 108.800 -0.918 0.000 2.353 10 G HA2 0.268 4.221 3.960 -0.011 0.000 0.308 10 G HA3 0.268 4.221 3.960 -0.011 0.000 0.308 10 G C -0.944 173.783 174.900 -0.289 0.000 1.418 10 G CA -0.215 44.241 45.100 -1.073 0.000 0.966 10 G HN 1.015 nan 8.290 nan 0.000 0.638 11 V N 0.063 119.883 119.914 -0.155 0.000 3.178 11 V HA 0.492 4.605 4.120 -0.011 0.000 0.306 11 V C 1.653 177.718 176.094 -0.049 0.000 1.107 11 V CA 1.103 63.285 62.300 -0.197 0.000 1.195 11 V CB 1.400 32.867 31.823 -0.592 0.000 0.993 11 V HN 1.599 nan 8.190 nan 0.000 0.493 12 T N 4.318 118.869 114.554 -0.005 0.000 2.946 12 T HA -0.004 4.339 4.350 -0.011 0.000 0.312 12 T C 0.705 175.447 174.700 0.071 0.000 1.066 12 T CA 1.229 63.358 62.100 0.048 0.000 1.138 12 T CB -0.827 68.073 68.868 0.055 0.000 1.014 12 T HN 1.100 nan 8.240 nan 0.000 0.544 13 N N 1.564 120.311 118.700 0.079 0.000 2.735 13 N HA -0.180 4.553 4.740 -0.011 0.000 0.248 13 N C 0.592 176.125 175.510 0.038 0.000 1.083 13 N CA 1.033 54.121 53.050 0.062 0.000 0.703 13 N CB -1.227 37.303 38.487 0.072 0.000 1.005 13 N HN 0.657 nan 8.380 nan 0.000 0.550 14 S N -2.140 113.577 115.700 0.027 0.000 2.554 14 S HA 0.493 4.957 4.470 -0.011 0.000 0.226 14 S C 1.350 175.963 174.600 0.021 0.000 0.980 14 S CA 0.278 58.491 58.200 0.022 0.000 0.939 14 S CB 1.060 64.264 63.200 0.006 0.000 0.832 14 S HN 1.015 nan 8.310 nan 0.000 0.486 15 G N 1.784 110.597 108.800 0.021 0.000 2.131 15 G HA2 -0.235 3.718 3.960 -0.011 0.000 0.201 15 G HA3 -0.235 3.718 3.960 -0.011 0.000 0.201 15 G C 0.634 175.549 174.900 0.026 0.000 1.000 15 G CA 0.269 45.383 45.100 0.024 0.000 0.680 15 G HN 0.480 nan 8.290 nan 0.000 0.514 16 K N -0.504 119.909 120.400 0.022 0.000 2.025 16 K HA -0.019 4.295 4.320 -0.011 0.000 0.207 16 K C 2.554 179.177 176.600 0.039 0.000 1.049 16 K CA 1.715 58.016 56.287 0.023 0.000 0.933 16 K CB -0.246 32.260 32.500 0.010 0.000 0.714 16 K HN 0.308 nan 8.250 nan 0.000 0.438 17 T N 0.847 115.425 114.554 0.039 0.000 2.777 17 T HA -0.100 4.243 4.350 -0.011 0.000 0.266 17 T C 1.937 176.659 174.700 0.037 0.000 1.040 17 T CA 1.657 63.782 62.100 0.042 0.000 1.141 17 T CB -0.288 68.602 68.868 0.036 0.000 0.868 17 T HN 0.256 nan 8.240 nan 0.000 0.444 18 T N 2.491 117.062 114.554 0.029 0.000 2.746 18 T HA -0.036 4.308 4.350 -0.011 0.000 0.267 18 T C 1.880 176.606 174.700 0.043 0.000 1.039 18 T CA 0.778 62.893 62.100 0.024 0.000 1.142 18 T CB -0.453 68.425 68.868 0.017 0.000 0.866 18 T HN 0.103 nan 8.240 nan 0.000 0.444 19 L N 1.682 122.939 121.223 0.058 0.000 2.012 19 L HA 0.031 4.364 4.340 -0.011 0.000 0.210 19 L C 2.650 179.584 176.870 0.106 0.000 1.073 19 L CA 2.019 56.913 54.840 0.089 0.000 0.748 19 L CB -1.225 40.876 42.059 0.069 0.000 0.891 19 L HN 0.230 nan 8.230 nan 0.000 0.431 20 A N -0.594 122.277 122.820 0.086 0.000 1.892 20 A HA -0.275 4.038 4.320 -0.011 0.000 0.218 20 A C 2.342 179.980 177.584 0.089 0.000 1.188 20 A CA 2.246 54.340 52.037 0.095 0.000 0.631 20 A CB -0.582 18.466 19.000 0.080 0.000 0.822 20 A HN 0.551 nan 8.150 nan 0.000 0.447 21 K N -0.598 119.838 120.400 0.060 0.000 2.148 21 K HA -0.083 4.230 4.320 -0.011 0.000 0.204 21 K C 1.645 178.259 176.600 0.023 0.000 1.050 21 K CA 1.188 57.496 56.287 0.035 0.000 0.942 21 K CB -0.190 32.319 32.500 0.014 0.000 0.724 21 K HN 0.405 nan 8.250 nan 0.000 0.446 22 N N 1.148 119.864 118.700 0.027 0.000 2.216 22 N HA -0.082 4.651 4.740 -0.011 0.000 0.183 22 N C 1.874 177.441 175.510 0.095 0.000 1.017 22 N CA 0.924 53.944 53.050 -0.050 0.000 0.861 22 N CB -0.181 38.225 38.487 -0.135 0.000 0.986 22 N HN 0.106 nan 8.380 nan 0.000 0.428 23 L N 1.178 122.567 121.223 0.278 0.000 2.017 23 L HA -0.178 4.156 4.340 -0.011 0.000 0.208 23 L C 2.645 179.696 176.870 0.301 0.000 1.073 23 L CA 1.215 56.310 54.840 0.426 0.000 0.745 23 L CB -0.493 41.756 42.059 0.317 0.000 0.894 23 L HN 0.235 nan 8.230 nan 0.000 0.432 24 Q N 0.644 120.547 119.800 0.171 0.000 2.135 24 Q HA -0.259 4.074 4.340 -0.011 0.000 0.204 24 Q C 2.061 178.089 176.000 0.046 0.000 0.981 24 Q CA 1.653 57.523 55.803 0.111 0.000 0.856 24 Q CB 0.047 28.829 28.738 0.073 0.000 0.902 24 Q HN 0.407 nan 8.270 nan 0.000 0.425 25 K N -0.878 119.498 120.400 -0.041 0.000 2.360 25 K HA -0.145 4.169 4.320 -0.011 0.000 0.201 25 K C 0.612 176.949 176.600 -0.438 0.000 1.046 25 K CA 1.119 57.252 56.287 -0.257 0.000 0.945 25 K CB 0.059 32.307 32.500 -0.420 0.000 0.750 25 K HN 0.426 nan 8.250 nan 0.000 0.464 26 H N -1.171 117.926 119.070 0.046 0.000 2.674 26 H HA 0.288 4.837 4.556 -0.011 0.000 0.274 26 H C -0.724 174.742 175.328 0.230 0.000 1.121 26 H CA -0.205 55.902 56.048 0.098 0.000 1.132 26 H CB 0.557 30.367 29.762 0.081 0.000 1.606 26 H HN -0.112 nan 8.280 nan 0.000 0.558 27 L N 2.235 123.607 121.223 0.248 0.000 2.386 27 L HA 0.462 4.795 4.340 -0.011 0.000 0.271 27 L C -2.393 174.560 176.870 0.138 0.000 0.993 27 L CA -2.166 52.807 54.840 0.221 0.000 0.819 27 L CB 2.487 44.673 42.059 0.212 0.000 1.294 27 L HN -0.011 nan 8.230 nan 0.000 0.414 28 P HA 0.150 nan 4.420 nan 0.000 0.281 28 P C -0.401 176.966 177.300 0.113 0.000 1.249 28 P CA -0.360 62.798 63.100 0.097 0.000 0.810 28 P CB 0.872 32.620 31.700 0.081 0.000 1.008 29 N N -0.527 118.240 118.700 0.111 0.000 2.699 29 N HA -0.188 4.545 4.740 -0.011 0.000 0.256 29 N C -1.107 174.529 175.510 0.210 0.000 0.993 29 N CA 0.355 53.492 53.050 0.145 0.000 0.759 29 N CB -1.634 36.930 38.487 0.129 0.000 0.906 29 N HN 0.536 nan 8.380 nan 0.000 0.541 30 C N 0.836 120.245 119.300 0.180 0.000 2.351 30 C HA 0.790 5.244 4.460 -0.011 0.000 0.326 30 C C 0.384 175.467 174.990 0.154 0.000 1.272 30 C CA -0.294 58.829 59.018 0.175 0.000 1.650 30 C CB 0.596 28.419 27.740 0.138 0.000 2.257 30 C HN 0.513 nan 8.230 nan 0.000 0.505 31 S N 2.866 118.634 115.700 0.113 0.000 2.648 31 S HA 0.805 5.269 4.470 -0.011 0.000 0.305 31 S C -1.016 173.549 174.600 -0.059 0.000 1.094 31 S CA -0.553 57.678 58.200 0.053 0.000 0.983 31 S CB 1.843 65.117 63.200 0.123 0.000 1.101 31 S HN 0.702 nan 8.310 nan 0.000 0.514 32 V N 2.289 122.195 119.914 -0.012 0.000 2.531 32 V HA 0.513 4.626 4.120 -0.011 0.000 0.301 32 V C -0.804 175.304 176.094 0.022 0.000 1.034 32 V CA -0.494 61.804 62.300 -0.003 0.000 0.865 32 V CB 1.441 33.288 31.823 0.039 0.000 0.995 32 V HN 0.746 nan 8.190 nan 0.000 0.424 33 I N 3.253 123.837 120.570 0.022 0.000 2.404 33 I HA 0.464 4.627 4.170 -0.011 0.000 0.293 33 I C 0.096 176.296 176.117 0.137 0.000 0.992 33 I CA -0.191 61.170 61.300 0.103 0.000 1.149 33 I CB 2.076 40.125 38.000 0.081 0.000 1.315 33 I HN 0.625 nan 8.210 nan 0.000 0.446 34 S N 4.841 120.659 115.700 0.195 0.000 2.433 34 S HA 0.180 4.644 4.470 -0.011 0.000 0.310 34 S C 0.686 175.457 174.600 0.285 0.000 1.097 34 S CA -0.492 57.816 58.200 0.180 0.000 1.103 34 S CB 1.515 64.790 63.200 0.125 0.000 0.992 34 S HN 0.749 nan 8.310 nan 0.000 0.469 35 Q N 2.948 122.879 119.800 0.219 0.000 2.152 35 Q HA -0.174 4.159 4.340 -0.011 0.000 0.206 35 Q C 0.496 176.633 176.000 0.229 0.000 0.985 35 Q CA 2.149 58.085 55.803 0.221 0.000 0.863 35 Q CB -0.046 28.737 28.738 0.075 0.000 0.904 35 Q HN 0.786 nan 8.270 nan 0.000 0.422 36 D N 0.433 120.955 120.400 0.202 0.000 2.350 36 D HA -0.109 4.524 4.640 -0.011 0.000 0.216 36 D C 0.608 177.018 176.300 0.183 0.000 0.968 36 D CA 0.709 54.860 54.000 0.252 0.000 0.894 36 D CB -0.127 40.846 40.800 0.289 0.000 0.909 36 D HN 0.294 nan 8.370 nan 0.000 0.520 37 D N -0.910 119.503 120.400 0.022 0.000 2.378 37 D HA -0.055 4.578 4.640 -0.011 0.000 0.227 37 D C 0.500 176.400 176.300 -0.667 0.000 1.012 37 D CA 0.341 54.145 54.000 -0.325 0.000 0.905 37 D CB -0.048 40.449 40.800 -0.504 0.000 0.895 37 D HN 0.309 nan 8.370 nan 0.000 0.532 38 F N -0.942 119.017 119.950 0.016 0.000 2.724 38 F HA 0.239 4.760 4.527 -0.011 0.000 0.310 38 F C 0.310 176.100 175.800 -0.018 0.000 1.107 38 F CA -0.783 57.206 58.000 -0.019 0.000 1.218 38 F CB -0.030 38.921 39.000 -0.081 0.000 1.042 38 F HN -0.285 nan 8.300 nan 0.000 0.540 39 F N 1.885 121.941 119.950 0.178 0.000 2.563 39 F HA 0.132 4.658 4.527 -0.001 0.000 0.363 39 F C 1.189 177.087 175.800 0.163 0.000 1.123 39 F CA -0.178 57.942 58.000 0.200 0.000 1.307 39 F CB 0.426 39.550 39.000 0.206 0.000 1.115 39 F HN -0.141 nan 8.300 nan 0.000 0.592 40 K N 3.771 124.403 120.400 0.386 0.000 2.180 40 K HA 0.207 4.520 4.320 -0.011 0.000 0.251 40 K C -2.250 174.491 176.600 0.235 0.000 1.014 40 K CA -1.420 55.011 56.287 0.239 0.000 0.913 40 K CB -0.110 32.491 32.500 0.168 0.000 1.008 40 K HN 0.265 nan 8.250 nan 0.000 0.490 41 P HA -0.005 nan 4.420 nan 0.000 0.269 41 P C 0.436 177.802 177.300 0.111 0.000 1.215 41 P CA 0.278 63.452 63.100 0.122 0.000 0.780 41 P CB 0.494 32.242 31.700 0.080 0.000 0.898 42 E N 1.137 121.406 120.200 0.114 0.000 2.209 42 E HA -0.230 4.113 4.350 -0.011 0.000 0.196 42 E C 1.877 178.487 176.600 0.018 0.000 0.993 42 E CA 1.985 58.437 56.400 0.087 0.000 0.819 42 E CB -1.445 28.322 29.700 0.111 0.000 0.745 42 E HN 0.584 nan 8.360 nan 0.000 0.477 43 S N 0.012 115.728 115.700 0.026 0.000 2.442 43 S HA -0.136 4.328 4.470 -0.011 0.000 0.236 43 S C 1.724 176.326 174.600 0.004 0.000 1.007 43 S CA 1.343 59.550 58.200 0.012 0.000 0.965 43 S CB -0.031 63.180 63.200 0.019 0.000 0.773 43 S HN 0.699 nan 8.310 nan 0.000 0.504 44 E N 0.174 120.380 120.200 0.010 0.000 2.479 44 E HA 0.200 4.543 4.350 -0.011 0.000 0.193 44 E C -0.363 176.223 176.600 -0.023 0.000 1.049 44 E CA -0.150 56.256 56.400 0.009 0.000 0.870 44 E CB 0.211 29.933 29.700 0.036 0.000 0.944 44 E HN 0.483 nan 8.360 nan 0.000 0.492 45 I N 2.273 122.797 120.570 -0.077 0.000 2.342 45 I HA 0.055 4.218 4.170 -0.011 0.000 0.291 45 I C 0.662 176.697 176.117 -0.137 0.000 1.010 45 I CA -0.181 61.006 61.300 -0.188 0.000 1.308 45 I CB 1.079 38.795 38.000 -0.474 0.000 1.400 45 I HN -0.186 nan 8.210 nan 0.000 0.488 46 E N 3.242 123.380 120.200 -0.105 0.000 2.349 46 E HA 0.438 4.781 4.350 -0.011 0.000 0.262 46 E C 0.237 176.799 176.600 -0.064 0.000 1.088 46 E CA -0.696 55.670 56.400 -0.057 0.000 0.899 46 E CB 1.472 31.160 29.700 -0.019 0.000 1.044 46 E HN 0.760 nan 8.360 nan 0.000 0.420 47 T N -1.645 112.891 114.554 -0.029 0.000 2.829 47 T HA 0.496 4.839 4.350 -0.011 0.000 0.280 47 T C -0.383 174.326 174.700 0.015 0.000 0.999 47 T CA -1.073 61.021 62.100 -0.010 0.000 0.983 47 T CB 1.283 70.141 68.868 -0.016 0.000 0.968 47 T HN 0.509 nan 8.240 nan 0.000 0.446 48 D N 1.730 122.160 120.400 0.051 0.000 2.447 48 D HA 0.210 4.843 4.640 -0.011 0.000 0.265 48 D C 1.402 177.721 176.300 0.033 0.000 1.250 48 D CA -0.703 53.339 54.000 0.071 0.000 1.046 48 D CB 0.332 41.221 40.800 0.148 0.000 1.095 48 D HN 0.322 nan 8.370 nan 0.000 0.555 49 K N -0.526 119.899 120.400 0.043 0.000 2.089 49 K HA -0.173 4.140 4.320 -0.011 0.000 0.210 49 K C 1.664 178.246 176.600 -0.029 0.000 1.048 49 K CA 1.935 58.231 56.287 0.015 0.000 0.926 49 K CB -1.299 31.223 32.500 0.036 0.000 0.714 49 K HN 0.597 nan 8.250 nan 0.000 0.448 50 N N -0.930 117.739 118.700 -0.052 0.000 2.322 50 N HA 0.189 4.922 4.740 -0.011 0.000 0.194 50 N C 0.886 176.107 175.510 -0.482 0.000 1.126 50 N CA 0.442 53.361 53.050 -0.217 0.000 0.845 50 N CB 0.948 39.348 38.487 -0.145 0.000 0.976 50 N HN 0.475 nan 8.380 nan 0.000 0.475 51 G N 0.199 108.824 108.800 -0.291 0.000 2.157 51 G HA2 -0.261 3.692 3.960 -0.011 0.000 0.248 51 G HA3 -0.261 3.692 3.960 -0.011 0.000 0.248 51 G C -0.274 174.504 174.900 -0.203 0.000 0.979 51 G CA -0.483 44.470 45.100 -0.246 0.000 0.650 51 G HN 0.185 nan 8.290 nan 0.000 0.529 52 F N 0.941 120.933 119.950 0.070 0.000 2.438 52 F HA 0.591 5.109 4.527 -0.015 0.000 0.356 52 F C 1.244 177.055 175.800 0.018 0.000 1.099 52 F CA -0.954 57.117 58.000 0.119 0.000 1.185 52 F CB 0.780 39.855 39.000 0.125 0.000 1.115 52 F HN -0.020 nan 8.300 nan 0.000 0.526 53 L N 3.804 125.169 121.223 0.237 0.000 2.453 53 L HA 0.087 4.421 4.340 -0.011 0.000 0.272 53 L C 0.524 177.300 176.870 -0.157 0.000 1.182 53 L CA 0.129 54.986 54.840 0.029 0.000 0.858 53 L CB 0.254 42.351 42.059 0.063 0.000 1.120 53 L HN 0.552 nan 8.230 nan 0.000 0.474 54 Q N 3.026 122.686 119.800 -0.233 0.000 2.844 54 Q HA 0.062 4.395 4.340 -0.011 0.000 0.235 54 Q C -0.336 175.640 176.000 -0.041 0.000 1.336 54 Q CA -0.041 55.654 55.803 -0.180 0.000 1.026 54 Q CB 0.298 29.042 28.738 0.009 0.000 1.513 54 Q HN 0.557 nan 8.270 nan 0.000 0.577 55 Y N -0.103 120.319 120.300 0.203 0.000 2.503 55 Y HA -0.007 4.531 4.550 -0.020 0.000 0.278 55 Y C 0.489 176.705 175.900 0.527 0.000 1.111 55 Y CA 0.395 58.683 58.100 0.313 0.000 1.270 55 Y CB 0.773 39.289 38.460 0.094 0.000 1.063 55 Y HN 0.396 nan 8.280 nan 0.000 0.548 56 D N 0.255 121.115 120.400 0.767 0.000 3.072 56 D HA 0.230 4.864 4.640 -0.011 0.000 0.250 56 D C -0.757 175.759 176.300 0.359 0.000 1.304 56 D CA 0.246 54.588 54.000 0.571 0.000 0.861 56 D CB 0.019 40.928 40.800 0.181 0.000 1.062 56 D HN -0.009 nan 8.370 nan 0.000 0.481 57 V N -3.216 116.900 119.914 0.337 0.000 3.147 57 V HA 0.335 4.448 4.120 -0.011 0.000 0.306 57 V C 1.072 177.220 176.094 0.091 0.000 1.209 57 V CA -1.023 61.361 62.300 0.141 0.000 1.023 57 V CB 1.684 33.594 31.823 0.145 0.000 1.059 57 V HN -0.061 nan 8.190 nan 0.000 0.435 58 L N -0.210 121.015 121.223 0.003 0.000 2.191 58 L HA -0.082 4.251 4.340 -0.011 0.000 0.212 58 L C 2.350 179.235 176.870 0.026 0.000 1.103 58 L CA 1.548 56.374 54.840 -0.024 0.000 0.769 58 L CB -0.275 41.791 42.059 0.012 0.000 0.908 58 L HN 0.864 nan 8.230 nan 0.000 0.438 59 E N 0.181 120.419 120.200 0.063 0.000 2.333 59 E HA -0.155 4.189 4.350 -0.011 0.000 0.198 59 E C 1.998 178.648 176.600 0.083 0.000 1.007 59 E CA 0.989 57.429 56.400 0.067 0.000 0.845 59 E CB -0.212 29.526 29.700 0.063 0.000 0.766 59 E HN 0.433 nan 8.360 nan 0.000 0.507 60 A N -0.187 122.713 122.820 0.133 0.000 2.208 60 A HA 0.171 4.484 4.320 -0.011 0.000 0.209 60 A C 0.465 178.197 177.584 0.248 0.000 1.161 60 A CA 0.202 52.368 52.037 0.216 0.000 0.782 60 A CB 0.023 19.254 19.000 0.386 0.000 0.816 60 A HN 0.119 nan 8.150 nan 0.000 0.477 61 L N -0.073 121.200 121.223 0.085 0.000 2.346 61 L HA 0.376 4.709 4.340 -0.011 0.000 0.274 61 L C 0.137 177.011 176.870 0.006 0.000 1.007 61 L CA -0.873 53.956 54.840 -0.017 0.000 0.818 61 L CB 1.487 43.435 42.059 -0.186 0.000 1.284 61 L HN 0.160 nan 8.230 nan 0.000 0.424 69 A N 1.872 124.721 122.820 0.049 0.000 1.902 69 A HA 0.058 4.371 4.320 -0.011 0.000 0.217 69 A C 1.798 179.457 177.584 0.125 0.000 1.181 69 A CA 1.570 53.680 52.037 0.121 0.000 0.623 69 A CB -0.811 18.302 19.000 0.188 0.000 0.818 69 A HN 0.509 nan 8.150 nan 0.000 0.443 70 I N -0.219 120.380 120.570 0.048 0.000 2.208 70 I HA -0.247 3.916 4.170 -0.011 0.000 0.245 70 I C 2.659 178.880 176.117 0.174 0.000 1.097 70 I CA 1.551 62.911 61.300 0.100 0.000 1.363 70 I CB -0.324 37.672 38.000 -0.006 0.000 1.051 70 I HN 0.217 nan 8.210 nan 0.000 0.413 71 S N -0.308 115.448 115.700 0.093 0.000 2.382 71 S HA -0.217 4.247 4.470 -0.011 0.000 0.228 71 S C 2.169 176.818 174.600 0.083 0.000 1.027 71 S CA 1.288 59.532 58.200 0.074 0.000 0.991 71 S CB -0.546 62.675 63.200 0.034 0.000 0.823 71 S HN 0.566 nan 8.310 nan 0.000 0.469 72 C N 0.704 120.068 119.300 0.107 0.000 2.432 72 C HA -0.041 4.413 4.460 -0.011 0.000 0.277 72 C C 1.617 176.671 174.990 0.107 0.000 1.249 72 C CA -0.067 59.011 59.018 0.101 0.000 1.725 72 C CB -1.087 26.727 27.740 0.124 0.000 2.028 72 C HN 0.730 nan 8.230 nan 0.000 0.477 76 S N 0.211 115.803 115.700 -0.180 0.000 2.368 76 S HA -0.060 4.403 4.470 -0.011 0.000 0.225 76 S C 2.002 176.420 174.600 -0.304 0.000 1.030 76 S CA 2.074 60.185 58.200 -0.148 0.000 0.999 76 S CB -0.462 62.656 63.200 -0.137 0.000 0.844 76 S HN 0.495 nan 8.310 nan 0.000 0.459 77 A N 1.389 123.835 122.820 -0.624 0.000 1.972 77 A HA -0.039 4.274 4.320 -0.011 0.000 0.219 77 A C 2.193 179.527 177.584 -0.416 0.000 1.169 77 A CA 1.363 53.009 52.037 -0.652 0.000 0.635 77 A CB -0.572 17.710 19.000 -1.196 0.000 0.810 77 A HN 0.631 nan 8.150 nan 0.000 0.446 78 R N -1.131 119.085 120.500 -0.474 0.000 2.237 78 R HA -0.058 4.276 4.340 -0.011 0.000 0.219 78 R C 0.792 176.764 176.300 -0.547 0.000 1.080 78 R CA 1.159 56.960 56.100 -0.499 0.000 0.995 78 R CB -0.150 29.778 30.300 -0.621 0.000 0.875 78 R HN 0.656 nan 8.270 nan 0.000 0.462 79 H N -1.543 117.459 119.070 -0.113 0.000 2.672 79 H HA 0.155 4.704 4.556 -0.011 0.000 0.277 79 H C 1.460 176.752 175.328 -0.061 0.000 1.074 79 H CA 0.410 56.414 56.048 -0.073 0.000 1.173 79 H CB 0.753 30.477 29.762 -0.063 0.000 1.558 79 H HN 0.165 nan 8.280 nan 0.000 0.539 80 S N -0.027 115.662 115.700 -0.019 0.000 2.527 80 S HA 0.071 4.535 4.470 -0.011 0.000 0.222 80 S C 0.820 175.426 174.600 0.010 0.000 0.985 80 S CA -0.145 58.053 58.200 -0.004 0.000 0.921 80 S CB -0.051 63.130 63.200 -0.032 0.000 0.772 80 S HN -0.038 nan 8.310 nan 0.000 0.529 81 V N 2.071 121.986 119.914 0.002 0.000 2.443 81 V HA 0.443 4.556 4.120 -0.011 0.000 0.293 81 V C -0.012 176.091 176.094 0.015 0.000 1.021 81 V CA -0.948 61.358 62.300 0.010 0.000 0.848 81 V CB 1.494 33.320 31.823 0.005 0.000 0.998 81 V HN 0.251 nan 8.190 nan 0.000 0.424 82 V N 4.456 124.382 119.914 0.020 0.000 2.843 82 V HA 0.205 4.319 4.120 -0.011 0.000 0.305 82 V C 0.966 177.070 176.094 0.016 0.000 1.065 82 V CA 0.618 62.930 62.300 0.020 0.000 1.116 82 V CB 1.908 33.742 31.823 0.018 0.000 0.968 82 V HN 0.993 nan 8.190 nan 0.000 0.487 83 S N 3.844 119.553 115.700 0.016 0.000 2.549 83 S HA 0.549 5.012 4.470 -0.011 0.000 0.279 83 S C -0.012 174.594 174.600 0.010 0.000 1.321 83 S CA 0.224 58.431 58.200 0.012 0.000 1.054 83 S CB 0.150 63.358 63.200 0.012 0.000 0.899 83 S HN 1.138 nan 8.310 nan 0.000 0.497 91 E N 4.219 124.434 120.200 0.026 0.000 2.046 91 E HA 0.325 4.669 4.350 -0.011 0.000 0.279 91 E C -0.408 176.220 176.600 0.047 0.000 0.989 91 E CA -0.265 56.155 56.400 0.034 0.000 0.798 91 E CB 0.965 30.685 29.700 0.033 0.000 1.086 91 E HN 0.305 nan 8.360 nan 0.000 0.399 92 I N 5.200 125.808 120.570 0.064 0.000 2.304 92 I HA 0.217 4.380 4.170 -0.011 0.000 0.291 92 I C -2.127 174.080 176.117 0.151 0.000 1.018 92 I CA -2.317 59.043 61.300 0.101 0.000 1.260 92 I CB 0.838 38.912 38.000 0.124 0.000 1.390 92 I HN 0.182 nan 8.210 nan 0.000 0.475 93 P HA 0.173 nan 4.420 nan 0.000 0.267 93 P C -0.745 176.839 177.300 0.474 0.000 1.200 93 P CA 0.182 63.449 63.100 0.279 0.000 0.772 93 P CB 0.555 32.355 31.700 0.167 0.000 0.855 94 I N 2.481 123.335 120.570 0.474 0.000 2.433 94 I HA 0.394 4.557 4.170 -0.011 0.000 0.292 94 I C -0.496 175.684 176.117 0.104 0.000 1.001 94 I CA -0.951 60.551 61.300 0.335 0.000 1.119 94 I CB 1.679 39.818 38.000 0.230 0.000 1.289 94 I HN 0.142 nan 8.210 nan 0.000 0.438 95 L N 7.762 128.816 121.223 -0.283 0.000 2.341 95 L HA 0.629 4.963 4.340 -0.011 0.000 0.278 95 L C -1.012 175.728 176.870 -0.217 0.000 1.005 95 L CA -0.175 54.257 54.840 -0.681 0.000 0.818 95 L CB 1.545 42.686 42.059 -1.531 0.000 1.259 95 L HN 0.416 nan 8.230 nan 0.000 0.418 96 I N 6.127 126.624 120.570 -0.121 0.000 2.362 96 I HA 0.411 4.574 4.170 -0.011 0.000 0.289 96 I C -0.622 175.515 176.117 0.033 0.000 0.994 96 I CA -0.372 60.953 61.300 0.042 0.000 1.158 96 I CB 1.475 39.529 38.000 0.091 0.000 1.315 96 I HN 0.488 nan 8.210 nan 0.000 0.451 97 I N 6.418 127.071 120.570 0.139 0.000 2.362 97 I HA 0.286 4.449 4.170 -0.011 0.000 0.289 97 I C -0.485 175.718 176.117 0.142 0.000 0.994 97 I CA -0.536 60.859 61.300 0.158 0.000 1.158 97 I CB 1.545 39.719 38.000 0.290 0.000 1.315 97 I HN 0.576 nan 8.210 nan 0.000 0.451 98 E N 5.262 125.516 120.200 0.091 0.000 2.234 98 E HA 0.889 5.232 4.350 -0.011 0.000 0.266 98 E C -0.614 176.013 176.600 0.043 0.000 0.877 98 E CA -0.784 55.646 56.400 0.050 0.000 0.758 98 E CB 2.202 31.940 29.700 0.063 0.000 1.170 98 E HN 0.741 nan 8.360 nan 0.000 0.415 99 G N 1.555 110.348 108.800 -0.011 0.000 2.411 99 G HA2 0.251 4.205 3.960 -0.011 0.000 0.295 99 G HA3 0.251 4.205 3.960 -0.011 0.000 0.295 99 G C -0.394 174.501 174.900 -0.009 0.000 1.542 99 G CA -0.540 44.589 45.100 0.049 0.000 0.814 99 G HN 0.724 nan 8.290 nan 0.000 0.557 100 F N -0.301 119.587 119.950 -0.104 0.000 2.546 100 F HA 0.457 4.980 4.527 -0.007 0.000 0.298 100 F C 0.738 176.396 175.800 -0.236 0.000 1.120 100 F CA 0.432 58.365 58.000 -0.111 0.000 1.456 100 F CB 0.242 39.224 39.000 -0.031 0.000 1.088 100 F HN 0.222 nan 8.300 nan 0.000 0.572 101 L N 1.257 121.897 121.223 -0.972 0.000 2.669 101 L HA 0.381 4.715 4.340 -0.011 0.000 0.273 101 L C -0.159 176.375 176.870 -0.559 0.000 1.441 101 L CA 0.022 54.137 54.840 -1.208 0.000 0.745 101 L CB 0.804 41.861 42.059 -1.671 0.000 1.044 101 L HN 0.212 nan 8.230 nan 0.000 0.523 102 L N -0.638 120.399 121.223 -0.310 0.000 2.425 102 L HA 0.208 4.541 4.340 -0.011 0.000 0.215 102 L C 0.840 177.937 176.870 0.378 0.000 1.065 102 L CA 0.376 55.187 54.840 -0.047 0.000 0.842 102 L CB -0.038 41.839 42.059 -0.302 0.000 1.033 102 L HN 0.259 nan 8.230 nan 0.000 0.474 103 F N 0.869 121.078 119.950 0.431 0.000 2.692 103 F HA 0.092 4.614 4.527 -0.009 0.000 0.303 103 F C 1.472 177.539 175.800 0.447 0.000 1.114 103 F CA -0.375 57.905 58.000 0.466 0.000 1.361 103 F CB -0.749 38.362 39.000 0.184 0.000 1.063 103 F HN 0.283 nan 8.300 nan 0.000 0.550 104 N N -1.376 117.685 118.700 0.603 0.000 2.177 104 N HA -0.048 4.685 4.740 -0.011 0.000 0.218 104 N C -0.319 175.410 175.510 0.364 0.000 1.182 104 N CA -0.182 53.116 53.050 0.413 0.000 0.882 104 N CB -0.545 38.157 38.487 0.359 0.000 1.052 104 N HN 0.159 nan 8.380 nan 0.000 0.519 105 Y N 2.695 123.159 120.300 0.273 0.000 2.535 105 Y HA 0.324 4.868 4.550 -0.010 0.000 0.349 105 Y C 1.118 177.128 175.900 0.183 0.000 0.992 105 Y CA -0.797 57.407 58.100 0.174 0.000 1.248 105 Y CB 0.807 39.342 38.460 0.125 0.000 1.124 105 Y HN -0.209 nan 8.280 nan 0.000 0.520 106 K N 4.941 125.231 120.400 -0.183 0.000 2.148 106 K HA -0.043 4.271 4.320 -0.011 0.000 0.204 106 K C -0.917 175.527 176.600 -0.260 0.000 1.050 106 K CA 0.988 57.199 56.287 -0.127 0.000 0.942 106 K CB -1.157 31.290 32.500 -0.088 0.000 0.724 106 K HN 0.531 nan 8.250 nan 0.000 0.446 107 P HA -0.087 nan 4.420 nan 0.000 0.221 107 P C 0.964 178.110 177.300 -0.256 0.000 1.145 107 P CA 1.002 63.876 63.100 -0.377 0.000 0.795 107 P CB 0.067 31.492 31.700 -0.459 0.000 0.775 108 L N -0.662 120.444 121.223 -0.195 0.000 2.667 108 L HA 0.064 4.397 4.340 -0.011 0.000 0.232 108 L C 1.457 178.082 176.870 -0.409 0.000 1.138 108 L CA 0.142 54.834 54.840 -0.247 0.000 0.921 108 L CB -0.473 41.554 42.059 -0.053 0.000 1.180 108 L HN 0.032 nan 8.230 nan 0.000 0.487 109 D N -0.863 119.380 120.400 -0.261 0.000 2.351 109 D HA -0.170 4.463 4.640 -0.011 0.000 0.216 109 D C 1.429 177.335 176.300 -0.656 0.000 0.968 109 D CA 1.445 55.196 54.000 -0.416 0.000 0.899 109 D CB -0.254 40.523 40.800 -0.038 0.000 0.907 109 D HN 0.305 nan 8.370 nan 0.000 0.514 110 T N -3.005 111.240 114.554 -0.516 0.000 3.085 110 T HA 0.279 4.622 4.350 -0.011 0.000 0.264 110 T C 1.672 176.061 174.700 -0.518 0.000 1.019 110 T CA -0.501 61.331 62.100 -0.448 0.000 0.910 110 T CB -0.392 68.315 68.868 -0.268 0.000 1.059 110 T HN 0.160 nan 8.240 nan 0.000 0.542 111 I N -0.043 120.064 120.570 -0.771 0.000 2.716 111 I HA 0.253 4.416 4.170 -0.011 0.000 0.259 111 I C -0.144 175.536 176.117 -0.729 0.000 1.172 111 I CA -0.169 60.666 61.300 -0.776 0.000 1.478 111 I CB 0.307 37.741 38.000 -0.943 0.000 1.104 111 I HN 0.299 nan 8.210 nan 0.000 0.439 112 W N 1.567 122.602 121.300 -0.442 0.000 2.388 112 W HA 0.209 4.862 4.660 -0.012 0.000 0.308 112 W C 1.050 177.323 176.519 -0.410 0.000 1.263 112 W CA -0.601 56.502 57.345 -0.403 0.000 1.286 112 W CB -0.010 29.151 29.460 -0.499 0.000 1.294 112 W HN -0.021 nan 8.180 nan 0.000 0.493 113 N N 1.767 120.312 118.700 -0.258 0.000 2.333 113 N HA 0.045 4.778 4.740 -0.011 0.000 0.178 113 N C 0.894 176.246 175.510 -0.263 0.000 1.018 113 N CA 0.515 53.293 53.050 -0.453 0.000 0.882 113 N CB 0.097 37.883 38.487 -1.168 0.000 0.984 113 N HN 0.419 nan 8.380 nan 0.000 0.434 114 R N 0.113 120.540 120.500 -0.121 0.000 2.698 114 R HA 0.745 5.078 4.340 -0.011 0.000 0.275 114 R C -1.387 174.818 176.300 -0.159 0.000 1.001 114 R CA -0.795 55.254 56.100 -0.084 0.000 0.896 114 R CB 1.390 31.754 30.300 0.106 0.000 1.218 114 R HN -0.007 nan 8.270 nan 0.000 0.462 115 S N 0.876 116.309 115.700 -0.446 0.000 2.614 115 S HA 0.752 5.215 4.470 -0.011 0.000 0.288 115 S C -1.634 172.576 174.600 -0.649 0.000 1.137 115 S CA -0.405 57.535 58.200 -0.433 0.000 0.992 115 S CB 0.789 63.671 63.200 -0.531 0.000 1.026 115 S HN 0.531 nan 8.310 nan 0.000 0.486 116 Y N 1.182 121.565 120.300 0.138 0.000 2.524 116 Y HA 0.713 5.256 4.550 -0.012 0.000 0.344 116 Y C -0.741 175.294 175.900 0.224 0.000 1.012 116 Y CA -1.288 56.882 58.100 0.117 0.000 1.068 116 Y CB 1.360 39.879 38.460 0.098 0.000 1.249 116 Y HN 0.677 nan 8.280 nan 0.000 0.468 117 F N 3.075 123.107 119.950 0.136 0.000 2.671 117 F HA 0.553 5.074 4.527 -0.011 0.000 0.332 117 F C -1.713 174.188 175.800 0.169 0.000 1.189 117 F CA -0.735 57.327 58.000 0.103 0.000 0.988 117 F CB 0.827 39.770 39.000 -0.095 0.000 1.258 117 F HN 0.353 nan 8.300 nan 0.000 0.471 118 L N 5.130 126.300 121.223 -0.088 0.000 2.305 118 L HA 0.528 4.862 4.340 -0.011 0.000 0.281 118 L C 0.121 177.057 176.870 0.109 0.000 1.085 118 L CA -0.331 54.536 54.840 0.047 0.000 0.813 118 L CB 1.560 43.610 42.059 -0.015 0.000 1.157 118 L HN 0.695 nan 8.230 nan 0.000 0.436 119 T N 2.459 117.165 114.554 0.254 0.000 2.863 119 T HA 0.801 5.145 4.350 -0.011 0.000 0.285 119 T C -0.540 174.295 174.700 0.227 0.000 1.009 119 T CA -0.721 61.572 62.100 0.322 0.000 0.989 119 T CB 1.754 70.874 68.868 0.420 0.000 1.004 119 T HN 0.523 nan 8.240 nan 0.000 0.455 120 I N -0.506 120.205 120.570 0.234 0.000 2.722 120 I HA 0.715 4.879 4.170 -0.011 0.000 0.295 120 I C -3.146 173.138 176.117 0.279 0.000 1.161 120 I CA -2.976 58.441 61.300 0.194 0.000 1.032 120 I CB 2.110 40.180 38.000 0.116 0.000 1.244 120 I HN 0.381 nan 8.210 nan 0.000 0.421 121 P HA 0.128 nan 4.420 nan 0.000 0.272 121 P C 0.200 177.556 177.300 0.093 0.000 1.240 121 P CA -0.100 63.146 63.100 0.244 0.000 0.791 121 P CB 0.460 32.250 31.700 0.150 0.000 0.978 122 Y N 1.434 121.613 120.300 -0.202 0.000 2.062 122 Y HA -0.342 4.201 4.550 -0.011 0.000 0.276 122 Y C 2.027 177.664 175.900 -0.438 0.000 1.189 122 Y CA 2.104 59.728 58.100 -0.792 0.000 1.130 122 Y CB -0.345 37.639 38.460 -0.794 0.000 0.959 122 Y HN 0.321 nan 8.280 nan 0.000 0.499 123 E N 0.017 120.060 120.200 -0.262 0.000 2.031 123 E HA -0.249 4.095 4.350 -0.011 0.000 0.193 123 E C 2.151 178.539 176.600 -0.352 0.000 0.994 123 E CA 1.666 57.872 56.400 -0.324 0.000 0.800 123 E CB -0.461 29.193 29.700 -0.076 0.000 0.752 123 E HN 0.596 nan 8.360 nan 0.000 0.447 124 E N 0.760 120.837 120.200 -0.204 0.000 2.106 124 E HA -0.127 4.216 4.350 -0.011 0.000 0.192 124 E C 2.162 178.646 176.600 -0.193 0.000 0.984 124 E CA 0.951 57.257 56.400 -0.157 0.000 0.806 124 E CB -0.548 29.114 29.700 -0.063 0.000 0.750 124 E HN 0.217 nan 8.360 nan 0.000 0.458 125 C N 0.585 119.771 119.300 -0.190 0.000 2.413 125 C HA -0.096 4.357 4.460 -0.011 0.000 0.276 125 C C 2.620 177.376 174.990 -0.391 0.000 1.236 125 C CA 1.634 60.585 59.018 -0.113 0.000 1.735 125 C CB -0.959 26.861 27.740 0.133 0.000 2.031 125 C HN 0.549 nan 8.230 nan 0.000 0.474 126 K N 0.168 120.002 120.400 -0.943 0.000 2.026 126 K HA -0.196 4.117 4.320 -0.011 0.000 0.208 126 K C 2.573 178.742 176.600 -0.718 0.000 1.048 126 K CA 1.524 56.884 56.287 -1.544 0.000 0.929 126 K CB -0.471 31.043 32.500 -1.643 0.000 0.713 126 K HN 0.525 nan 8.250 nan 0.000 0.439 127 R N 0.645 120.862 120.500 -0.472 0.000 2.083 127 R HA -0.147 4.186 4.340 -0.011 0.000 0.237 127 R C 2.290 178.475 176.300 -0.191 0.000 1.137 127 R CA 1.804 57.741 56.100 -0.272 0.000 0.951 127 R CB -0.087 30.095 30.300 -0.197 0.000 0.851 127 R HN 0.199 nan 8.270 nan 0.000 0.434 128 R N -0.394 120.009 120.500 -0.163 0.000 2.075 128 R HA -0.130 4.203 4.340 -0.011 0.000 0.232 128 R C 2.441 178.710 176.300 -0.052 0.000 1.126 128 R CA 1.541 57.590 56.100 -0.085 0.000 0.963 128 R CB -0.309 29.962 30.300 -0.049 0.000 0.858 128 R HN 0.102 nan 8.270 nan 0.000 0.435 129 R N 1.217 121.683 120.500 -0.058 0.000 2.105 129 R HA -0.115 4.219 4.340 -0.011 0.000 0.239 129 R C 2.120 178.453 176.300 0.056 0.000 1.135 129 R CA 2.115 58.256 56.100 0.069 0.000 0.967 129 R CB -0.330 30.048 30.300 0.131 0.000 0.861 129 R HN 0.263 nan 8.270 nan 0.000 0.442 130 S N -1.379 114.288 115.700 -0.055 0.000 2.474 130 S HA -0.126 4.337 4.470 -0.011 0.000 0.235 130 S C 1.791 176.374 174.600 -0.029 0.000 0.997 130 S CA 1.161 59.340 58.200 -0.036 0.000 0.949 130 S CB -0.597 62.551 63.200 -0.087 0.000 0.766 130 S HN 0.587 nan 8.310 nan 0.000 0.517 131 T N -1.147 113.382 114.554 -0.042 0.000 3.067 131 T HA 0.181 4.524 4.350 -0.011 0.000 0.261 131 T C 0.761 175.419 174.700 -0.069 0.000 1.110 131 T CA -0.228 61.841 62.100 -0.052 0.000 1.113 131 T CB -0.224 68.611 68.868 -0.056 0.000 0.917 131 T HN 0.393 nan 8.240 nan 0.000 0.499 132 R N 0.539 120.995 120.500 -0.074 0.000 2.536 132 R HA 0.582 4.915 4.340 -0.011 0.000 0.279 132 R C -1.430 174.738 176.300 -0.219 0.000 1.001 132 R CA -0.622 55.360 56.100 -0.196 0.000 1.027 132 R CB 1.338 31.450 30.300 -0.313 0.000 1.096 132 R HN 0.107 nan 8.270 nan 0.000 0.502 133 V N 4.819 124.548 119.914 -0.309 0.000 2.370 133 V HA 0.318 4.432 4.120 -0.011 0.000 0.283 133 V C -0.891 174.961 176.094 -0.403 0.000 1.023 133 V CA -0.559 61.602 62.300 -0.232 0.000 0.857 133 V CB 0.904 32.639 31.823 -0.148 0.000 0.985 133 V HN 0.653 nan 8.190 nan 0.000 0.443 134 Y N 1.994 122.220 120.300 -0.123 0.000 2.488 134 Y HA 0.649 5.187 4.550 -0.020 0.000 0.325 134 Y C 0.615 176.402 175.900 -0.188 0.000 1.204 134 Y CA -0.528 57.463 58.100 -0.183 0.000 1.229 134 Y CB 1.321 39.630 38.460 -0.251 0.000 1.274 134 Y HN 0.574 nan 8.280 nan 0.000 0.493 135 Q N 2.413 122.176 119.800 -0.062 0.000 2.363 135 Q HA 0.515 4.849 4.340 -0.011 0.000 0.265 135 Q C -2.731 173.167 176.000 -0.169 0.000 1.032 135 Q CA -2.075 53.670 55.803 -0.097 0.000 0.746 135 Q CB -0.009 28.681 28.738 -0.080 0.000 1.237 135 Q HN 0.535 nan 8.270 nan 0.000 0.475 136 P HA 0.491 nan 4.420 nan 0.000 0.274 136 P C -2.693 174.532 177.300 -0.125 0.000 1.246 136 P CA -1.383 61.652 63.100 -0.108 0.000 0.795 136 P CB 0.717 32.374 31.700 -0.072 0.000 1.006 137 P HA 0.094 nan 4.420 nan 0.000 0.274 137 P C -0.553 176.661 177.300 -0.142 0.000 1.237 137 P CA -0.146 62.922 63.100 -0.054 0.000 0.793 137 P CB 0.392 32.075 31.700 -0.030 0.000 0.977 138 D N 0.443 120.784 120.400 -0.098 0.000 2.472 138 D HA 0.039 4.672 4.640 -0.011 0.000 0.248 138 D C 0.939 177.197 176.300 -0.071 0.000 1.174 138 D CA 0.643 54.539 54.000 -0.173 0.000 0.883 138 D CB 0.107 40.964 40.800 0.094 0.000 1.149 138 D HN 0.297 nan 8.370 nan 0.000 0.488 139 S N 2.838 118.471 115.700 -0.112 0.000 2.589 139 S HA 0.300 4.763 4.470 -0.011 0.000 0.265 139 S C -2.392 172.322 174.600 0.190 0.000 1.342 139 S CA -1.218 57.023 58.200 0.069 0.000 1.005 139 S CB 0.513 63.805 63.200 0.153 0.000 0.909 139 S HN 0.100 nan 8.310 nan 0.000 0.555 140 P HA 0.268 nan 4.420 nan 0.000 0.266 140 P C 1.001 178.493 177.300 0.319 0.000 1.195 140 P CA 1.194 64.409 63.100 0.193 0.000 0.768 140 P CB 0.042 31.823 31.700 0.135 0.000 0.838 141 G N 1.514 110.486 108.800 0.286 0.000 2.166 141 G HA2 -0.374 3.579 3.960 -0.011 0.000 0.260 141 G HA3 -0.374 3.579 3.960 -0.011 0.000 0.260 141 G C 0.827 175.875 174.900 0.246 0.000 0.986 141 G CA 0.424 45.711 45.100 0.312 0.000 0.683 141 G HN 0.533 nan 8.290 nan 0.000 0.527 142 Y N -0.394 119.988 120.300 0.136 0.000 2.293 142 Y HA 0.202 4.758 4.550 0.010 0.000 0.291 142 Y C 2.315 178.190 175.900 -0.042 0.000 1.137 142 Y CA 1.860 59.943 58.100 -0.029 0.000 1.202 142 Y CB -0.358 38.163 38.460 0.102 0.000 0.990 142 Y HN 0.327 nan 8.280 nan 0.000 0.537 143 F N 0.728 120.685 119.950 0.011 0.000 2.113 143 F HA -0.205 4.313 4.527 -0.016 0.000 0.297 143 F C 2.084 177.885 175.800 0.001 0.000 1.103 143 F CA 2.166 60.154 58.000 -0.019 0.000 1.248 143 F CB -0.306 38.693 39.000 -0.001 0.000 0.999 143 F HN -0.018 nan 8.300 nan 0.000 0.475 144 D N -0.477 120.036 120.400 0.187 0.000 2.183 144 D HA -0.041 4.592 4.640 -0.011 0.000 0.203 144 D C 2.329 178.587 176.300 -0.070 0.000 0.969 144 D CA 1.339 55.427 54.000 0.146 0.000 0.842 144 D CB -0.693 40.231 40.800 0.207 0.000 0.957 144 D HN 0.435 nan 8.370 nan 0.000 0.484 145 G N -1.498 107.110 108.800 -0.319 0.000 2.623 145 G HA2 -0.148 3.805 3.960 -0.011 0.000 0.214 145 G HA3 -0.148 3.805 3.960 -0.011 0.000 0.214 145 G C 1.316 175.826 174.900 -0.650 0.000 1.138 145 G CA 0.602 45.335 45.100 -0.612 0.000 0.794 145 G HN 0.311 nan 8.290 nan 0.000 0.535 146 H N -2.122 116.491 119.070 -0.762 0.000 1.775 146 H HA 0.183 4.735 4.556 -0.007 0.000 0.164 146 H C 2.196 177.228 175.328 -0.493 0.000 0.968 146 H CA 0.585 56.247 56.048 -0.644 0.000 1.007 146 H CB 0.046 29.241 29.762 -0.946 0.000 0.967 146 H HN -0.079 nan 8.280 nan 0.000 0.327 147 V N 0.953 120.472 119.914 -0.659 0.000 2.261 147 V HA -0.250 3.863 4.120 -0.011 0.000 0.246 147 V C 2.278 178.120 176.094 -0.420 0.000 1.047 147 V CA 2.189 64.162 62.300 -0.544 0.000 1.015 147 V CB -0.685 30.838 31.823 -0.500 0.000 0.642 147 V HN 0.568 nan 8.190 nan 0.000 0.446 148 W N 1.398 122.275 121.300 -0.705 0.000 2.379 148 W HA -0.009 4.643 4.660 -0.014 0.000 0.307 148 W C -1.193 175.250 176.519 -0.127 0.000 1.200 148 W CA 0.833 57.961 57.345 -0.361 0.000 1.297 148 W CB -1.024 28.273 29.460 -0.271 0.000 1.140 148 W HN 0.288 nan 8.180 nan 0.000 0.507 152 L N 1.585 122.465 121.223 -0.572 0.000 2.083 152 L HA -0.165 4.168 4.340 -0.011 0.000 0.209 152 L C 2.389 179.059 176.870 -0.332 0.000 1.083 152 L CA 2.128 56.642 54.840 -0.544 0.000 0.752 152 L CB -0.398 41.427 42.059 -0.390 0.000 0.899 152 L HN 0.218 nan 8.230 nan 0.000 0.433 153 K N -0.431 119.845 120.400 -0.206 0.000 2.057 153 K HA -0.266 4.047 4.320 -0.011 0.000 0.207 153 K C 2.351 178.919 176.600 -0.054 0.000 1.049 153 K CA 1.622 57.843 56.287 -0.109 0.000 0.931 153 K CB -0.257 32.205 32.500 -0.064 0.000 0.714 153 K HN 0.113 nan 8.250 nan 0.000 0.440 154 Y N 1.908 122.091 120.300 -0.195 0.000 2.128 154 Y HA -0.206 4.338 4.550 -0.010 0.000 0.284 154 Y C 2.049 177.818 175.900 -0.218 0.000 1.154 154 Y CA 1.539 59.546 58.100 -0.154 0.000 1.149 154 Y CB -0.208 38.203 38.460 -0.082 0.000 0.976 154 Y HN 0.025 nan 8.280 nan 0.000 0.505 155 R N 0.399 120.630 120.500 -0.447 0.000 2.105 155 R HA -0.187 4.146 4.340 -0.011 0.000 0.239 155 R C 2.271 178.344 176.300 -0.380 0.000 1.135 155 R CA 1.485 57.243 56.100 -0.569 0.000 0.967 155 R CB -1.045 28.858 30.300 -0.661 0.000 0.861 155 R HN 0.529 nan 8.270 nan 0.000 0.442 156 Q N 1.714 121.351 119.800 -0.272 0.000 2.084 156 Q HA -0.106 4.228 4.340 -0.011 0.000 0.202 156 Q C 0.048 175.957 176.000 -0.153 0.000 0.978 156 Q CA 1.106 56.796 55.803 -0.189 0.000 0.844 156 Q CB 0.063 28.718 28.738 -0.140 0.000 0.898 156 Q HN 0.419 nan 8.270 nan 0.000 0.426 160 D N 0.103 120.420 120.400 -0.139 0.000 2.525 160 D HA 0.300 4.933 4.640 -0.011 0.000 0.229 160 D C 0.304 176.528 176.300 -0.126 0.000 1.202 160 D CA -0.385 53.549 54.000 -0.110 0.000 0.828 160 D CB -0.158 40.601 40.800 -0.069 0.000 1.008 160 D HN 0.521 nan 8.370 nan 0.000 0.493 161 I N 1.434 121.872 120.570 -0.221 0.000 2.815 161 I HA -0.042 4.121 4.170 -0.011 0.000 0.291 161 I C 1.237 177.214 176.117 -0.234 0.000 1.209 161 I CA 0.482 61.570 61.300 -0.352 0.000 1.431 161 I CB 0.974 38.559 38.000 -0.691 0.000 1.351 161 I HN 0.201 nan 8.210 nan 0.000 0.585 162 T N 3.310 117.841 114.554 -0.038 0.000 3.163 162 T HA 0.196 4.539 4.350 -0.011 0.000 0.252 162 T C -0.451 174.426 174.700 0.296 0.000 1.056 162 T CA -0.485 61.705 62.100 0.150 0.000 0.947 162 T CB -0.524 68.481 68.868 0.228 0.000 1.016 162 T HN 0.700 nan 8.240 nan 0.000 0.554 163 W N -0.210 121.038 121.300 -0.087 0.000 3.047 163 W HA 0.741 5.394 4.660 -0.012 0.000 0.341 163 W C -1.277 175.147 176.519 -0.159 0.000 1.225 163 W CA -1.286 55.993 57.345 -0.109 0.000 1.150 163 W CB 0.941 30.342 29.460 -0.099 0.000 1.470 163 W HN -0.202 nan 8.180 nan 0.000 0.578 164 E N 1.240 121.412 120.200 -0.047 0.000 2.338 164 E HA 0.371 4.714 4.350 -0.011 0.000 0.272 164 E C -0.861 175.551 176.600 -0.313 0.000 1.029 164 E CA -0.584 55.710 56.400 -0.177 0.000 0.872 164 E CB 1.839 31.497 29.700 -0.069 0.000 1.015 164 E HN 0.301 nan 8.360 nan 0.000 0.417 165 V N 3.306 122.970 119.914 -0.418 0.000 2.628 165 V HA 0.221 4.335 4.120 -0.011 0.000 0.306 165 V C -0.218 175.619 176.094 -0.428 0.000 1.045 165 V CA -0.888 61.074 62.300 -0.562 0.000 0.905 165 V CB 2.000 33.306 31.823 -0.862 0.000 0.997 165 V HN 0.393 nan 8.190 nan 0.000 0.436 166 V N 4.849 124.555 119.914 -0.347 0.000 2.364 166 V HA 0.369 4.482 4.120 -0.011 0.000 0.272 166 V C -0.762 175.296 176.094 -0.060 0.000 1.036 166 V CA -0.573 61.671 62.300 -0.092 0.000 0.880 166 V CB 0.646 32.517 31.823 0.080 0.000 0.991 166 V HN 0.707 nan 8.190 nan 0.000 0.460 167 Y N 5.325 125.710 120.300 0.142 0.000 2.313 167 Y HA 0.606 5.149 4.550 -0.012 0.000 0.332 167 Y C 0.244 176.259 175.900 0.192 0.000 1.071 167 Y CA -0.444 57.777 58.100 0.201 0.000 1.169 167 Y CB 1.020 39.553 38.460 0.122 0.000 1.192 167 Y HN 0.423 nan 8.280 nan 0.000 0.487 168 L N 2.763 124.192 121.223 0.343 0.000 2.342 168 L HA 0.371 4.704 4.340 -0.011 0.000 0.271 168 L C -0.578 176.416 176.870 0.206 0.000 1.008 168 L CA -1.117 53.859 54.840 0.228 0.000 0.818 168 L CB 1.602 43.768 42.059 0.177 0.000 1.296 168 L HN 0.517 nan 8.230 nan 0.000 0.427 169 D N 1.358 121.848 120.400 0.150 0.000 2.393 169 D HA 0.141 4.774 4.640 -0.011 0.000 0.232 169 D C 1.039 177.401 176.300 0.103 0.000 1.192 169 D CA -0.108 53.968 54.000 0.127 0.000 0.882 169 D CB 1.681 42.540 40.800 0.099 0.000 1.038 169 D HN 0.668 nan 8.370 nan 0.000 0.499 170 G N 2.402 111.267 108.800 0.108 0.000 2.776 170 G HA2 -0.189 3.764 3.960 -0.011 0.000 0.209 170 G HA3 -0.189 3.764 3.960 -0.011 0.000 0.209 170 G C 1.373 176.310 174.900 0.061 0.000 1.145 170 G CA 1.036 46.184 45.100 0.079 0.000 0.791 170 G HN 0.567 nan 8.290 nan 0.000 0.530 171 T N -1.725 112.867 114.554 0.063 0.000 3.067 171 T HA 0.191 4.534 4.350 -0.011 0.000 0.261 171 T C 1.177 175.900 174.700 0.039 0.000 1.110 171 T CA -0.043 62.084 62.100 0.045 0.000 1.113 171 T CB 0.096 68.990 68.868 0.043 0.000 0.917 171 T HN 0.166 nan 8.240 nan 0.000 0.499 172 K N 2.796 123.224 120.400 0.045 0.000 2.455 172 K HA 0.184 4.497 4.320 -0.011 0.000 0.269 172 K C 0.780 177.401 176.600 0.036 0.000 0.972 172 K CA 0.042 56.353 56.287 0.040 0.000 0.938 172 K CB 0.358 32.885 32.500 0.045 0.000 0.931 172 K HN 0.532 nan 8.250 nan 0.000 0.507 173 S N 0.206 115.926 115.700 0.032 0.000 2.600 173 S HA -0.034 4.430 4.470 -0.011 0.000 0.265 173 S C 1.206 175.832 174.600 0.042 0.000 1.325 173 S CA -0.394 57.825 58.200 0.031 0.000 1.002 173 S CB 1.417 64.633 63.200 0.026 0.000 0.921 173 S HN 0.793 nan 8.310 nan 0.000 0.554 174 E N 0.541 120.765 120.200 0.040 0.000 2.058 174 E HA -0.272 4.071 4.350 -0.011 0.000 0.194 174 E C 1.770 178.424 176.600 0.091 0.000 0.997 174 E CA 1.700 58.133 56.400 0.054 0.000 0.801 174 E CB -0.264 29.454 29.700 0.030 0.000 0.746 174 E HN 0.835 nan 8.360 nan 0.000 0.450 175 E N 1.068 121.314 120.200 0.078 0.000 2.077 175 E HA -0.214 4.129 4.350 -0.011 0.000 0.193 175 E C 1.774 178.450 176.600 0.125 0.000 0.989 175 E CA 1.690 58.162 56.400 0.121 0.000 0.800 175 E CB -0.353 29.387 29.700 0.068 0.000 0.746 175 E HN 0.310 nan 8.360 nan 0.000 0.452 176 D N -0.149 120.294 120.400 0.070 0.000 2.097 176 D HA -0.154 4.479 4.640 -0.011 0.000 0.195 176 D C 2.026 178.345 176.300 0.032 0.000 0.989 176 D CA 1.090 55.115 54.000 0.043 0.000 0.827 176 D CB -0.172 40.648 40.800 0.034 0.000 0.966 176 D HN 0.309 nan 8.370 nan 0.000 0.456 177 L N -0.312 120.943 121.223 0.052 0.000 2.056 177 L HA -0.113 4.220 4.340 -0.011 0.000 0.207 177 L C 2.538 179.420 176.870 0.020 0.000 1.078 177 L CA 0.908 55.768 54.840 0.034 0.000 0.749 177 L CB -0.580 41.509 42.059 0.050 0.000 0.901 177 L HN 0.043 nan 8.230 nan 0.000 0.433 178 F N 0.812 120.742 119.950 -0.032 0.000 2.069 178 F HA -0.247 4.273 4.527 -0.011 0.000 0.298 178 F C 2.130 177.913 175.800 -0.028 0.000 1.113 178 F CA 1.650 59.626 58.000 -0.040 0.000 1.214 178 F CB -0.383 38.580 39.000 -0.062 0.000 0.978 178 F HN -0.131 nan 8.300 nan 0.000 0.474 179 L N 0.061 121.038 121.223 -0.410 0.000 2.046 179 L HA -0.229 4.105 4.340 -0.011 0.000 0.208 179 L C 2.718 179.424 176.870 -0.274 0.000 1.077 179 L CA 1.792 56.361 54.840 -0.452 0.000 0.747 179 L CB -0.936 41.029 42.059 -0.156 0.000 0.896 179 L HN 0.334 nan 8.230 nan 0.000 0.432 180 Q N 0.042 119.745 119.800 -0.163 0.000 2.061 180 Q HA -0.196 4.137 4.340 -0.011 0.000 0.204 180 Q C 2.230 178.141 176.000 -0.147 0.000 0.984 180 Q CA 2.127 57.867 55.803 -0.105 0.000 0.846 180 Q CB 0.051 28.759 28.738 -0.050 0.000 0.902 180 Q HN 0.361 nan 8.270 nan 0.000 0.421 181 V N 0.111 119.885 119.914 -0.232 0.000 2.358 181 V HA -0.238 3.875 4.120 -0.011 0.000 0.246 181 V C 2.007 177.943 176.094 -0.263 0.000 1.047 181 V CA 1.880 63.969 62.300 -0.352 0.000 1.035 181 V CB -0.863 30.647 31.823 -0.522 0.000 0.658 181 V HN 0.460 nan 8.190 nan 0.000 0.452 182 Y N 1.343 121.374 120.300 -0.449 0.000 2.181 182 Y HA -0.247 4.296 4.550 -0.011 0.000 0.288 182 Y C 2.540 178.298 175.900 -0.236 0.000 1.146 182 Y CA 2.114 59.976 58.100 -0.397 0.000 1.164 182 Y CB -0.124 37.881 38.460 -0.758 0.000 0.982 182 Y HN 0.343 nan 8.280 nan 0.000 0.515 183 E N -0.395 119.729 120.200 -0.127 0.000 2.118 183 E HA -0.264 4.080 4.350 -0.011 0.000 0.195 183 E C 1.705 178.242 176.600 -0.105 0.000 0.992 183 E CA 1.535 57.877 56.400 -0.097 0.000 0.804 183 E CB -0.207 29.463 29.700 -0.050 0.000 0.741 183 E HN 0.576 nan 8.360 nan 0.000 0.458 184 D N 0.073 120.428 120.400 -0.075 0.000 2.103 184 D HA -0.144 4.489 4.640 -0.011 0.000 0.199 184 D C 1.864 178.165 176.300 0.000 0.000 0.978 184 D CA 0.533 54.540 54.000 0.012 0.000 0.829 184 D CB 0.048 40.925 40.800 0.127 0.000 0.981 184 D HN 0.031 nan 8.370 nan 0.000 0.464 185 L N 1.069 122.261 121.223 -0.052 0.000 2.093 185 L HA -0.012 4.322 4.340 -0.011 0.000 0.208 185 L C 2.073 178.821 176.870 -0.204 0.000 1.085 185 L CA 1.406 56.218 54.840 -0.046 0.000 0.755 185 L CB -0.718 41.306 42.059 -0.059 0.000 0.904 185 L HN 0.409 nan 8.230 nan 0.000 0.435 186 I N -3.356 116.998 120.570 -0.359 0.000 3.001 186 I HA -0.178 3.985 4.170 -0.011 0.000 0.268 186 I C 1.661 177.661 176.117 -0.194 0.000 1.267 186 I CA 0.952 62.033 61.300 -0.365 0.000 1.472 186 I CB -0.615 37.072 38.000 -0.522 0.000 1.089 186 I HN 0.379 nan 8.210 nan 0.000 0.468 187 Q N 0.949 120.672 119.800 -0.128 0.000 2.424 187 Q HA 0.006 4.339 4.340 -0.011 0.000 0.204 187 Q C 1.705 177.688 176.000 -0.029 0.000 0.933 187 Q CA 0.534 56.301 55.803 -0.060 0.000 0.929 187 Q CB 0.226 28.947 28.738 -0.028 0.000 1.037 187 Q HN 0.634 nan 8.270 nan 0.000 0.511 188 E N -0.003 120.178 120.200 -0.033 0.000 2.431 188 E HA 0.093 4.437 4.350 -0.011 0.000 0.200 188 E C 0.263 176.840 176.600 -0.039 0.000 0.995 188 E CA -0.128 56.302 56.400 0.050 0.000 0.915 188 E CB 0.586 30.405 29.700 0.199 0.000 0.930 188 E HN 0.218 nan 8.360 nan 0.000 0.496 189 L N 0.000 121.057 121.223 -0.277 0.000 2.949 189 L HA 0.000 4.333 4.340 -0.011 0.000 0.249 189 L CA 0.000 54.591 54.840 -0.415 0.000 0.813 189 L CB 0.000 41.792 42.059 -0.445 0.000 0.961 189 L HN 0.000 nan 8.230 nan 0.000 0.502