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 1qnh_1_B DATA FIRST_RESID 2 DATA SEQUENCE SKRSKVFFDI SIDNSNAGRI IFELFSDITP RTCENFRALC TGEKIGSRGK DATA SEQUENCE NLHYKNSIFH RIIPQFMCQG GDITNGNGSG GESIYGRSFT DENFNMKHDQ DATA SEQUENCE PGLLSMANAG PNTNSSQFLI TLVPCPWLDG KHVVFGKVIE GMNVVREMEK DATA SEQUENCE EGAKSGYVKR SVVITDCGEW 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.629 174.600 0.048 0.000 1.055 2 S CA 0.000 58.227 58.200 0.045 0.000 1.107 2 S CB 0.000 63.234 63.200 0.057 0.000 0.593 3 K N 1.787 122.218 120.400 0.053 0.000 2.358 3 K HA 0.276 4.596 4.320 -0.000 0.000 0.197 3 K C 0.328 176.972 176.600 0.074 0.000 1.025 3 K CA 0.126 56.445 56.287 0.054 0.000 1.104 3 K CB 0.202 32.729 32.500 0.046 0.000 0.855 3 K HN 0.475 nan 8.250 nan 0.000 0.531 4 R N 0.555 121.109 120.500 0.089 0.000 2.720 4 R HA 0.341 4.681 4.340 -0.000 0.000 0.272 4 R C 0.172 176.532 176.300 0.101 0.000 0.991 4 R CA -0.404 55.763 56.100 0.111 0.000 1.010 4 R CB 1.517 31.907 30.300 0.150 0.000 1.141 4 R HN -0.024 nan 8.270 nan 0.000 0.494 5 S N 0.616 116.379 115.700 0.105 0.000 2.704 5 S HA 0.578 5.047 4.470 -0.000 0.000 0.305 5 S C -0.689 173.989 174.600 0.131 0.000 1.107 5 S CA -1.083 57.186 58.200 0.114 0.000 0.993 5 S CB 1.924 65.191 63.200 0.111 0.000 1.110 5 S HN 0.441 nan 8.310 nan 0.000 0.534 6 K N 0.402 120.908 120.400 0.177 0.000 2.318 6 K HA 0.758 5.077 4.320 -0.000 0.000 0.249 6 K C -0.893 175.889 176.600 0.304 0.000 0.942 6 K CA -0.918 55.501 56.287 0.219 0.000 0.808 6 K CB 2.120 34.775 32.500 0.259 0.000 1.189 6 K HN 0.666 nan 8.250 nan 0.000 0.428 7 V N -1.271 118.830 119.914 0.310 0.000 3.158 7 V HA 0.796 4.916 4.120 -0.000 0.000 0.311 7 V C -1.087 175.249 176.094 0.403 0.000 1.181 7 V CA -1.017 61.502 62.300 0.365 0.000 1.054 7 V CB 1.366 33.343 31.823 0.258 0.000 1.085 7 V HN 0.795 nan 8.190 nan 0.000 0.446 8 F N -0.754 119.342 119.950 0.244 0.000 2.626 8 F HA 0.942 5.469 4.527 -0.000 0.000 0.311 8 F C -2.056 173.963 175.800 0.364 0.000 1.088 8 F CA -1.526 56.559 58.000 0.141 0.000 0.949 8 F CB 1.826 40.872 39.000 0.078 0.000 1.322 8 F HN 0.459 nan 8.300 nan 0.000 0.461 9 F N 1.273 121.304 119.950 0.135 0.000 2.540 9 F HA 0.437 4.964 4.527 -0.000 0.000 0.317 9 F C -0.771 175.148 175.800 0.197 0.000 1.104 9 F CA -1.390 56.656 58.000 0.076 0.000 0.913 9 F CB 1.866 41.005 39.000 0.233 0.000 1.170 9 F HN 0.455 nan 8.300 nan 0.000 0.450 10 D N 3.601 124.217 120.400 0.361 0.000 2.280 10 D HA 0.413 5.052 4.640 -0.000 0.000 0.236 10 D C -0.318 176.081 176.300 0.165 0.000 1.082 10 D CA -0.071 54.098 54.000 0.282 0.000 0.834 10 D CB 1.530 42.506 40.800 0.293 0.000 1.100 10 D HN 0.070 nan 8.370 nan 0.000 0.486 11 I N 1.447 122.092 120.570 0.125 0.000 2.412 11 I HA 0.297 4.466 4.170 -0.000 0.000 0.296 11 I C 0.493 176.634 176.117 0.040 0.000 0.987 11 I CA -0.681 60.663 61.300 0.073 0.000 1.180 11 I CB 1.306 39.329 38.000 0.040 0.000 1.340 11 I HN 0.225 nan 8.210 nan 0.000 0.455 12 S N 7.240 122.957 115.700 0.029 0.000 2.532 12 S HA 0.740 5.210 4.470 -0.000 0.000 0.299 12 S C -0.936 173.667 174.600 0.005 0.000 1.105 12 S CA -0.648 57.562 58.200 0.017 0.000 1.018 12 S CB 1.423 64.636 63.200 0.022 0.000 1.021 12 S HN 0.415 nan 8.310 nan 0.000 0.483 13 I N 3.285 123.851 120.570 -0.006 0.000 2.382 13 I HA 0.339 4.509 4.170 -0.000 0.000 0.286 13 I C -0.273 175.838 176.117 -0.009 0.000 1.002 13 I CA -0.216 61.075 61.300 -0.015 0.000 1.135 13 I CB 1.376 39.359 38.000 -0.029 0.000 1.288 13 I HN 0.951 nan 8.210 nan 0.000 0.448 14 D N 5.793 126.189 120.400 -0.007 0.000 2.699 14 D HA -0.265 4.375 4.640 -0.000 0.000 0.239 14 D C 0.360 176.660 176.300 0.001 0.000 1.136 14 D CA 0.903 54.901 54.000 -0.004 0.000 0.668 14 D CB -0.673 40.123 40.800 -0.007 0.000 1.060 14 D HN 0.810 nan 8.370 nan 0.000 0.429 15 N N -1.530 117.173 118.700 0.004 0.000 2.800 15 N HA -0.198 4.542 4.740 -0.000 0.000 0.250 15 N C -0.993 174.522 175.510 0.008 0.000 1.078 15 N CA 1.378 54.432 53.050 0.007 0.000 0.804 15 N CB -1.375 37.116 38.487 0.007 0.000 1.135 15 N HN 0.353 nan 8.380 nan 0.000 0.565 16 S N 0.698 116.401 115.700 0.006 0.000 2.552 16 S HA 0.211 4.681 4.470 -0.000 0.000 0.314 16 S C 0.075 174.679 174.600 0.007 0.000 1.099 16 S CA -0.742 57.462 58.200 0.006 0.000 1.070 16 S CB 2.050 65.251 63.200 0.002 0.000 0.998 16 S HN 0.236 nan 8.310 nan 0.000 0.474 17 N N 2.139 120.847 118.700 0.013 0.000 2.359 17 N HA -0.033 4.707 4.740 -0.000 0.000 0.261 17 N C 0.749 176.263 175.510 0.007 0.000 1.267 17 N CA 0.150 53.210 53.050 0.017 0.000 0.864 17 N CB 0.628 39.130 38.487 0.024 0.000 1.063 17 N HN 0.706 nan 8.380 nan 0.000 0.474 18 A N 2.995 125.818 122.820 0.004 0.000 2.140 18 A HA 0.417 4.737 4.320 -0.000 0.000 0.209 18 A C 0.883 178.459 177.584 -0.013 0.000 1.181 18 A CA 0.945 52.975 52.037 -0.011 0.000 0.824 18 A CB 0.086 19.071 19.000 -0.025 0.000 0.879 18 A HN 0.941 nan 8.150 nan 0.000 0.480 19 G N -1.142 107.660 108.800 0.003 0.000 2.346 19 G HA2 0.311 4.271 3.960 -0.000 0.000 0.294 19 G HA3 0.311 4.271 3.960 -0.000 0.000 0.294 19 G C -0.942 173.966 174.900 0.015 0.000 1.294 19 G CA -0.368 44.729 45.100 -0.005 0.000 0.962 19 G HN 0.615 nan 8.290 nan 0.000 0.508 20 R N -0.691 119.795 120.500 -0.022 0.000 2.670 20 R HA 0.790 5.130 4.340 -0.000 0.000 0.289 20 R C -0.756 175.468 176.300 -0.127 0.000 0.965 20 R CA -0.892 55.201 56.100 -0.013 0.000 0.899 20 R CB 1.213 31.484 30.300 -0.048 0.000 1.173 20 R HN 0.522 nan 8.270 nan 0.000 0.456 21 I N 5.569 126.063 120.570 -0.127 0.000 2.406 21 I HA 0.357 4.526 4.170 -0.000 0.000 0.290 21 I C -0.364 175.417 176.117 -0.560 0.000 0.999 21 I CA -0.737 60.317 61.300 -0.410 0.000 1.124 21 I CB 1.869 39.556 38.000 -0.523 0.000 1.289 21 I HN 0.483 nan 8.210 nan 0.000 0.441 22 I N 6.094 126.281 120.570 -0.639 0.000 2.354 22 I HA 0.406 4.576 4.170 -0.000 0.000 0.292 22 I C -0.837 174.950 176.117 -0.550 0.000 0.989 22 I CA -0.403 60.578 61.300 -0.531 0.000 1.188 22 I CB 1.160 38.797 38.000 -0.605 0.000 1.342 22 I HN 0.331 nan 8.210 nan 0.000 0.457 23 F N 3.717 123.547 119.950 -0.199 0.000 2.522 23 F HA 0.440 4.967 4.527 -0.000 0.000 0.324 23 F C 0.334 176.030 175.800 -0.174 0.000 1.077 23 F CA -0.760 57.096 58.000 -0.240 0.000 0.944 23 F CB 1.493 40.285 39.000 -0.347 0.000 1.175 23 F HN 0.388 nan 8.300 nan 0.000 0.468 24 E N 3.090 123.283 120.200 -0.012 0.000 2.151 24 E HA 0.503 4.852 4.350 -0.000 0.000 0.275 24 E C -1.567 174.894 176.600 -0.232 0.000 0.936 24 E CA -0.535 55.841 56.400 -0.040 0.000 0.777 24 E CB 1.072 30.778 29.700 0.011 0.000 1.108 24 E HN 0.605 nan 8.360 nan 0.000 0.401 25 L N 4.373 125.520 121.223 -0.128 0.000 2.307 25 L HA 0.318 4.658 4.340 -0.000 0.000 0.282 25 L C -0.254 176.599 176.870 -0.028 0.000 1.051 25 L CA -0.916 53.806 54.840 -0.197 0.000 0.804 25 L CB 0.677 42.737 42.059 0.001 0.000 1.197 25 L HN 0.655 nan 8.230 nan 0.000 0.431 26 F N 1.447 121.411 119.950 0.024 0.000 2.666 26 F HA 0.102 4.629 4.527 -0.000 0.000 0.362 26 F C 1.768 177.598 175.800 0.049 0.000 1.190 26 F CA -0.246 57.769 58.000 0.026 0.000 1.328 26 F CB -1.013 37.992 39.000 0.008 0.000 1.682 26 F HN 0.475 nan 8.300 nan 0.000 0.623 27 S N 0.212 116.036 115.700 0.207 0.000 2.440 27 S HA -0.196 4.274 4.470 -0.000 0.000 0.238 27 S C 1.840 176.507 174.600 0.112 0.000 1.010 27 S CA 1.526 59.809 58.200 0.139 0.000 0.972 27 S CB -0.191 63.074 63.200 0.108 0.000 0.774 27 S HN 0.643 nan 8.310 nan 0.000 0.501 28 D N 0.288 120.757 120.400 0.114 0.000 2.348 28 D HA 0.013 4.652 4.640 -0.000 0.000 0.211 28 D C 1.393 177.725 176.300 0.054 0.000 0.998 28 D CA 0.318 54.359 54.000 0.069 0.000 0.873 28 D CB -0.021 40.809 40.800 0.051 0.000 0.925 28 D HN 0.350 nan 8.370 nan 0.000 0.524 29 I N 1.038 121.657 120.570 0.083 0.000 3.039 29 I HA -0.006 4.163 4.170 -0.000 0.000 0.270 29 I C 0.820 176.977 176.117 0.066 0.000 1.150 29 I CA 0.955 62.287 61.300 0.055 0.000 1.448 29 I CB -0.414 37.606 38.000 0.034 0.000 1.197 29 I HN 0.029 nan 8.210 nan 0.000 0.450 30 T N -0.571 114.051 114.554 0.113 0.000 3.504 30 T HA 0.323 4.673 4.350 -0.000 0.000 0.286 30 T C -1.748 173.004 174.700 0.087 0.000 1.530 30 T CA -1.429 60.725 62.100 0.090 0.000 1.652 30 T CB 1.153 70.097 68.868 0.127 0.000 0.895 30 T HN -0.032 nan 8.240 nan 0.000 0.674 31 P HA -0.179 nan 4.420 nan 0.000 0.216 31 P C 1.463 178.787 177.300 0.041 0.000 1.150 31 P CA 0.937 64.068 63.100 0.053 0.000 0.837 31 P CB 0.416 32.137 31.700 0.034 0.000 0.786 32 R N -0.390 120.116 120.500 0.010 0.000 2.066 32 R HA -0.052 4.287 4.340 -0.000 0.000 0.232 32 R C 2.381 178.690 176.300 0.016 0.000 1.131 32 R CA 2.129 58.216 56.100 -0.021 0.000 0.955 32 R CB -0.880 29.328 30.300 -0.152 0.000 0.851 32 R HN 0.091 nan 8.270 nan 0.000 0.432 33 T N -0.328 114.247 114.554 0.036 0.000 2.746 33 T HA -0.161 4.188 4.350 -0.000 0.000 0.267 33 T C 1.960 176.606 174.700 -0.089 0.000 1.039 33 T CA 1.382 63.499 62.100 0.028 0.000 1.142 33 T CB -0.339 68.539 68.868 0.017 0.000 0.866 33 T HN 0.380 nan 8.240 nan 0.000 0.444 34 C N 1.213 120.518 119.300 0.008 0.000 2.440 34 C HA 0.001 4.461 4.460 -0.000 0.000 0.278 34 C C 2.807 177.850 174.990 0.089 0.000 1.295 34 C CA 0.562 59.632 59.018 0.087 0.000 1.738 34 C CB -0.893 26.929 27.740 0.136 0.000 1.987 34 C HN 0.600 nan 8.230 nan 0.000 0.492 35 E N 2.009 122.239 120.200 0.050 0.000 2.110 35 E HA -0.183 4.166 4.350 -0.000 0.000 0.193 35 E C 1.764 178.326 176.600 -0.064 0.000 0.988 35 E CA 1.751 58.163 56.400 0.019 0.000 0.804 35 E CB -0.500 29.225 29.700 0.041 0.000 0.745 35 E HN 0.631 nan 8.360 nan 0.000 0.458 36 N N -0.838 117.788 118.700 -0.123 0.000 2.084 36 N HA -0.175 4.565 4.740 -0.000 0.000 0.190 36 N C 1.602 177.054 175.510 -0.097 0.000 1.030 36 N CA 1.514 54.402 53.050 -0.270 0.000 0.849 36 N CB -0.534 37.748 38.487 -0.342 0.000 1.012 36 N HN 0.240 nan 8.380 nan 0.000 0.423 37 F N 1.455 121.334 119.950 -0.118 0.000 2.134 37 F HA -0.022 4.505 4.527 -0.000 0.000 0.299 37 F C 2.611 178.435 175.800 0.040 0.000 1.097 37 F CA 1.356 59.369 58.000 0.022 0.000 1.264 37 F CB -0.348 38.689 39.000 0.060 0.000 1.001 37 F HN 0.028 nan 8.300 nan 0.000 0.479 38 R N 0.313 120.913 120.500 0.167 0.000 2.083 38 R HA -0.190 4.150 4.340 -0.000 0.000 0.237 38 R C 2.326 178.604 176.300 -0.038 0.000 1.137 38 R CA 1.505 57.656 56.100 0.085 0.000 0.951 38 R CB -0.745 29.608 30.300 0.088 0.000 0.851 38 R HN 0.346 nan 8.270 nan 0.000 0.434 39 A N 1.052 123.813 122.820 -0.099 0.000 1.933 39 A HA -0.117 4.202 4.320 -0.000 0.000 0.218 39 A C 2.208 179.653 177.584 -0.232 0.000 1.175 39 A CA 1.163 53.101 52.037 -0.166 0.000 0.628 39 A CB -0.460 18.413 19.000 -0.213 0.000 0.814 39 A HN 0.372 nan 8.150 nan 0.000 0.444 40 L N -1.104 119.931 121.223 -0.313 0.000 2.291 40 L HA -0.171 4.169 4.340 -0.000 0.000 0.214 40 L C 2.353 179.044 176.870 -0.298 0.000 1.120 40 L CA 0.597 55.134 54.840 -0.506 0.000 0.799 40 L CB -0.444 41.005 42.059 -1.017 0.000 0.925 40 L HN 0.488 nan 8.230 nan 0.000 0.446 41 C N -0.796 118.429 119.300 -0.124 0.000 2.467 41 C HA -0.080 4.380 4.460 -0.000 0.000 0.279 41 C C 2.933 177.979 174.990 0.092 0.000 1.347 41 C CA 1.269 60.337 59.018 0.082 0.000 1.748 41 C CB -0.718 27.050 27.740 0.047 0.000 1.977 41 C HN 0.641 nan 8.230 nan 0.000 0.501 42 T N -2.570 111.946 114.554 -0.063 0.000 3.054 42 T HA 0.256 4.606 4.350 -0.000 0.000 0.259 42 T C 1.623 176.031 174.700 -0.486 0.000 1.092 42 T CA 1.299 63.316 62.100 -0.138 0.000 1.121 42 T CB -0.265 68.548 68.868 -0.093 0.000 0.912 42 T HN 0.866 nan 8.240 nan 0.000 0.489 43 G N 2.457 110.874 108.800 -0.639 0.000 2.160 43 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.251 43 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.251 43 G C 0.639 175.292 174.900 -0.412 0.000 1.008 43 G CA 0.629 45.226 45.100 -0.839 0.000 0.724 43 G HN 0.803 nan 8.290 nan 0.000 0.514 44 E N -0.630 119.401 120.200 -0.281 0.000 2.204 44 E HA -0.004 4.346 4.350 -0.000 0.000 0.194 44 E C 0.825 177.333 176.600 -0.154 0.000 0.989 44 E CA 0.512 56.803 56.400 -0.181 0.000 0.824 44 E CB 0.074 29.692 29.700 -0.138 0.000 0.756 44 E HN 0.322 nan 8.360 nan 0.000 0.477 45 K N 1.199 121.496 120.400 -0.172 0.000 2.110 45 K HA 0.318 4.638 4.320 -0.000 0.000 0.263 45 K C 0.037 176.560 176.600 -0.127 0.000 0.975 45 K CA -0.851 55.348 56.287 -0.146 0.000 0.895 45 K CB 1.622 34.018 32.500 -0.173 0.000 1.060 45 K HN 0.057 nan 8.250 nan 0.000 0.448 46 I N 1.901 122.413 120.570 -0.098 0.000 2.365 46 I HA 0.188 4.357 4.170 -0.000 0.000 0.291 46 I C 1.235 177.307 176.117 -0.074 0.000 1.004 46 I CA -0.186 61.068 61.300 -0.076 0.000 1.311 46 I CB 0.652 38.617 38.000 -0.057 0.000 1.401 46 I HN 0.599 nan 8.210 nan 0.000 0.491 47 G N 3.210 111.971 108.800 -0.065 0.000 2.543 47 G HA2 0.271 4.231 3.960 -0.000 0.000 0.290 47 G HA3 0.271 4.231 3.960 -0.000 0.000 0.290 47 G C 0.960 175.836 174.900 -0.039 0.000 1.310 47 G CA 0.182 45.248 45.100 -0.058 0.000 1.025 47 G HN 0.673 nan 8.290 nan 0.000 0.502 48 S N -1.557 114.125 115.700 -0.030 0.000 2.420 48 S HA -0.051 4.419 4.470 -0.000 0.000 0.237 48 S C 1.826 176.416 174.600 -0.017 0.000 1.023 48 S CA 1.768 59.957 58.200 -0.019 0.000 0.991 48 S CB -0.591 62.603 63.200 -0.011 0.000 0.792 48 S HN 1.029 nan 8.310 nan 0.000 0.488 49 R N 1.004 121.493 120.500 -0.020 0.000 1.832 49 R HA 0.747 5.087 4.340 -0.000 0.000 0.134 49 R C 1.966 178.255 176.300 -0.019 0.000 0.929 49 R CA 0.111 56.201 56.100 -0.017 0.000 1.715 49 R CB -1.213 29.078 30.300 -0.016 0.000 1.392 49 R HN 0.453 nan 8.270 nan 0.000 0.655 50 G N -1.788 107.001 108.800 -0.018 0.000 3.192 50 G HA2 0.422 4.382 3.960 -0.000 0.000 0.239 50 G HA3 0.422 4.382 3.960 -0.000 0.000 0.239 50 G C 0.518 175.405 174.900 -0.022 0.000 1.084 50 G CA 0.988 46.077 45.100 -0.019 0.000 0.784 50 G HN 0.912 nan 8.290 nan 0.000 0.540 51 K N 0.567 120.954 120.400 -0.022 0.000 2.098 51 K HA 0.594 4.913 4.320 -0.000 0.000 0.258 51 K C -0.284 176.295 176.600 -0.035 0.000 0.973 51 K CA -0.849 55.425 56.287 -0.022 0.000 0.898 51 K CB 0.293 32.785 32.500 -0.015 0.000 1.057 51 K HN 0.189 nan 8.250 nan 0.000 0.447 52 N N 0.738 119.416 118.700 -0.037 0.000 2.520 52 N HA 0.260 5.000 4.740 -0.000 0.000 0.273 52 N C -0.369 175.104 175.510 -0.061 0.000 1.155 52 N CA -0.368 52.642 53.050 -0.066 0.000 0.967 52 N CB 0.625 39.059 38.487 -0.089 0.000 1.092 52 N HN 0.554 nan 8.380 nan 0.000 0.457 53 L N 2.557 123.717 121.223 -0.105 0.000 2.433 53 L HA 0.204 4.544 4.340 -0.000 0.000 0.275 53 L C 0.209 177.006 176.870 -0.122 0.000 1.128 53 L CA 0.356 55.121 54.840 -0.125 0.000 0.875 53 L CB -0.215 41.739 42.059 -0.175 0.000 1.171 53 L HN 0.552 nan 8.230 nan 0.000 0.463 54 H N 1.713 120.652 119.070 -0.218 0.000 2.954 54 H HA 0.162 4.718 4.556 -0.000 0.000 0.361 54 H C -0.440 174.781 175.328 -0.180 0.000 1.122 54 H CA -0.766 55.153 56.048 -0.215 0.000 1.217 54 H CB 1.726 31.419 29.762 -0.116 0.000 1.776 54 H HN 0.441 nan 8.280 nan 0.000 0.533 55 Y N 2.112 122.390 120.300 -0.036 0.000 2.516 55 Y HA -0.005 4.545 4.550 -0.000 0.000 0.291 55 Y C 1.254 176.932 175.900 -0.369 0.000 1.131 55 Y CA 0.396 58.371 58.100 -0.209 0.000 1.281 55 Y CB -0.040 38.270 38.460 -0.251 0.000 1.013 55 Y HN 0.369 nan 8.280 nan 0.000 0.554 56 K N 1.459 121.557 120.400 -0.504 0.000 2.484 56 K HA -0.115 4.204 4.320 -0.000 0.000 0.280 56 K C 0.312 176.750 176.600 -0.270 0.000 1.013 56 K CA 0.917 56.897 56.287 -0.512 0.000 1.029 56 K CB -0.288 31.676 32.500 -0.893 0.000 0.902 56 K HN 0.498 nan 8.250 nan 0.000 0.481 57 N N 0.774 119.373 118.700 -0.169 0.000 2.909 57 N HA -0.233 4.507 4.740 -0.000 0.000 0.242 57 N C -0.899 174.566 175.510 -0.076 0.000 0.975 57 N CA 0.771 53.763 53.050 -0.096 0.000 0.921 57 N CB -0.889 37.551 38.487 -0.078 0.000 1.112 57 N HN 0.700 nan 8.380 nan 0.000 0.581 58 S N 0.541 116.185 115.700 -0.092 0.000 2.646 58 S HA 0.735 5.205 4.470 -0.000 0.000 0.276 58 S C 0.289 174.835 174.600 -0.089 0.000 1.222 58 S CA -0.910 57.246 58.200 -0.073 0.000 1.014 58 S CB 1.816 64.994 63.200 -0.035 0.000 0.991 58 S HN 0.350 nan 8.310 nan 0.000 0.533 59 I N -2.412 118.113 120.570 -0.076 0.000 3.100 59 I HA 0.707 4.877 4.170 -0.000 0.000 0.312 59 I C -1.352 174.693 176.117 -0.120 0.000 1.063 59 I CA -1.522 59.765 61.300 -0.021 0.000 1.031 59 I CB 1.209 39.229 38.000 0.032 0.000 1.243 59 I HN 0.507 nan 8.210 nan 0.000 0.483 60 F N 2.507 122.427 119.950 -0.051 0.000 2.308 60 F HA 0.331 4.858 4.527 -0.000 0.000 0.370 60 F C 1.415 177.154 175.800 -0.101 0.000 1.100 60 F CA -0.403 57.532 58.000 -0.110 0.000 1.108 60 F CB 0.456 39.388 39.000 -0.114 0.000 1.293 60 F HN 0.500 nan 8.300 nan 0.000 0.478 61 H N 1.998 121.054 119.070 -0.024 0.000 2.551 61 H HA 0.191 4.747 4.556 -0.000 0.000 0.266 61 H C 0.293 175.627 175.328 0.010 0.000 0.964 61 H CA 0.124 56.163 56.048 -0.015 0.000 1.180 61 H CB 0.431 30.172 29.762 -0.036 0.000 1.408 61 H HN 0.486 nan 8.280 nan 0.000 0.563 62 R N 0.797 121.023 120.500 -0.457 0.000 2.510 62 R HA 0.510 4.850 4.340 -0.000 0.000 0.294 62 R C -1.887 174.324 176.300 -0.148 0.000 1.056 62 R CA -0.405 55.550 56.100 -0.242 0.000 0.918 62 R CB 1.211 31.345 30.300 -0.276 0.000 1.187 62 R HN 0.122 nan 8.270 nan 0.000 0.437 63 I N 6.195 126.731 120.570 -0.057 0.000 2.499 63 I HA 0.411 4.581 4.170 -0.000 0.000 0.288 63 I C -0.568 175.561 176.117 0.020 0.000 1.048 63 I CA -0.807 60.472 61.300 -0.035 0.000 1.062 63 I CB 2.301 40.274 38.000 -0.045 0.000 1.238 63 I HN 0.517 nan 8.210 nan 0.000 0.426 64 I N 7.554 128.157 120.570 0.055 0.000 2.411 64 I HA 0.341 4.510 4.170 -0.000 0.000 0.284 64 I C -2.403 173.807 176.117 0.155 0.000 1.012 64 I CA -2.015 59.376 61.300 0.151 0.000 1.119 64 I CB 1.936 40.135 38.000 0.332 0.000 1.261 64 I HN 0.163 nan 8.210 nan 0.000 0.448 65 P HA -0.052 nan 4.420 nan 0.000 0.266 65 P C -0.180 177.202 177.300 0.137 0.000 1.186 65 P CA 0.355 63.509 63.100 0.090 0.000 0.767 65 P CB 0.300 32.036 31.700 0.061 0.000 0.820 66 Q N -0.777 119.098 119.800 0.125 0.000 2.452 66 Q HA -0.249 4.091 4.340 -0.000 0.000 0.248 66 Q C 0.033 176.202 176.000 0.281 0.000 0.874 66 Q CA 1.202 57.097 55.803 0.153 0.000 1.208 66 Q CB -1.882 26.922 28.738 0.110 0.000 1.569 66 Q HN 0.566 nan 8.270 nan 0.000 0.579 67 F N -0.592 119.406 119.950 0.080 0.000 1.901 67 F HA 0.474 5.001 4.527 -0.000 0.000 0.224 67 F C -0.179 175.667 175.800 0.077 0.000 1.236 67 F CA 1.132 59.202 58.000 0.117 0.000 1.304 67 F CB 0.223 39.299 39.000 0.127 0.000 1.866 67 F HN 0.045 nan 8.300 nan 0.000 0.262 68 M N 0.015 119.453 119.600 -0.271 0.000 2.895 68 M HA 0.524 5.004 4.480 -0.000 0.000 0.271 68 M C -2.006 174.161 176.300 -0.221 0.000 1.174 68 M CA -1.080 54.002 55.300 -0.363 0.000 0.816 68 M CB 1.714 33.888 32.600 -0.710 0.000 1.647 68 M HN 0.012 nan 8.290 nan 0.000 0.506 69 C N 1.316 120.550 119.300 -0.111 0.000 2.322 69 C HA 0.793 5.253 4.460 -0.000 0.000 0.324 69 C C -0.650 174.376 174.990 0.061 0.000 1.284 69 C CA -0.311 58.708 59.018 0.002 0.000 1.606 69 C CB 1.112 28.855 27.740 0.005 0.000 2.251 69 C HN 0.833 nan 8.230 nan 0.000 0.502 70 Q N 1.821 121.598 119.800 -0.039 0.000 2.333 70 Q HA 0.663 5.003 4.340 -0.000 0.000 0.267 70 Q C -0.145 175.532 176.000 -0.539 0.000 1.012 70 Q CA -0.052 55.580 55.803 -0.284 0.000 0.824 70 Q CB 1.818 30.345 28.738 -0.353 0.000 1.290 70 Q HN 1.006 nan 8.270 nan 0.000 0.449 71 G N 0.187 108.417 108.800 -0.950 0.000 2.911 71 G HA2 0.589 4.549 3.960 -0.000 0.000 0.299 71 G HA3 0.589 4.549 3.960 -0.000 0.000 0.299 71 G C 0.156 174.458 174.900 -0.997 0.000 1.283 71 G CA -0.118 44.299 45.100 -1.139 0.000 0.805 71 G HN 1.030 nan 8.290 nan 0.000 0.548 72 G N -0.734 107.684 108.800 -0.635 0.000 2.175 72 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.244 72 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.244 72 G C 0.222 175.179 174.900 0.095 0.000 0.982 72 G CA 0.698 45.781 45.100 -0.028 0.000 0.641 72 G HN 0.923 nan 8.290 nan 0.000 0.527 73 D N 1.483 121.861 120.400 -0.036 0.000 2.455 73 D HA 0.287 4.927 4.640 -0.000 0.000 0.234 73 D C 2.074 178.354 176.300 -0.034 0.000 1.224 73 D CA -0.179 53.784 54.000 -0.061 0.000 0.999 73 D CB -0.635 40.025 40.800 -0.235 0.000 1.072 73 D HN 0.626 nan 8.370 nan 0.000 0.514 74 I N 0.517 121.098 120.570 0.017 0.000 3.444 74 I HA 0.015 4.185 4.170 -0.000 0.000 0.287 74 I C 1.112 177.216 176.117 -0.021 0.000 1.302 74 I CA 0.460 61.762 61.300 0.003 0.000 1.368 74 I CB -0.197 37.803 38.000 -0.000 0.000 1.048 74 I HN 0.162 nan 8.210 nan 0.000 0.487 75 T N -3.174 111.363 114.554 -0.028 0.000 3.019 75 T HA 0.234 4.584 4.350 -0.000 0.000 0.247 75 T C 1.248 175.926 174.700 -0.037 0.000 0.992 75 T CA 0.174 62.257 62.100 -0.029 0.000 1.036 75 T CB -0.064 68.790 68.868 -0.022 0.000 1.063 75 T HN 0.259 nan 8.240 nan 0.000 0.476 76 N N 0.719 119.385 118.700 -0.057 0.000 2.317 76 N HA 0.341 5.081 4.740 -0.000 0.000 0.199 76 N C 1.432 176.889 175.510 -0.089 0.000 1.145 76 N CA 0.731 53.742 53.050 -0.066 0.000 0.882 76 N CB 0.403 38.846 38.487 -0.073 0.000 1.113 76 N HN 0.565 nan 8.380 nan 0.000 0.486 77 G N 1.572 110.301 108.800 -0.118 0.000 2.233 77 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.270 77 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.270 77 G C 0.281 175.068 174.900 -0.189 0.000 1.011 77 G CA 1.143 46.167 45.100 -0.127 0.000 0.762 77 G HN 0.625 nan 8.290 nan 0.000 0.511 78 N N -2.286 116.226 118.700 -0.313 0.000 2.116 78 N HA 0.437 5.177 4.740 -0.000 0.000 0.230 78 N C 1.425 176.636 175.510 -0.498 0.000 1.326 78 N CA 0.942 53.809 53.050 -0.305 0.000 0.867 78 N CB 0.240 38.668 38.487 -0.099 0.000 1.174 78 N HN 1.384 nan 8.380 nan 0.000 0.506 79 G N 0.150 108.467 108.800 -0.806 0.000 2.234 79 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.235 79 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.235 79 G C 1.006 175.819 174.900 -0.144 0.000 0.997 79 G CA 0.535 45.361 45.100 -0.457 0.000 0.623 79 G HN 0.844 nan 8.290 nan 0.000 0.514 80 S N 0.241 115.867 115.700 -0.123 0.000 2.548 80 S HA 0.580 5.049 4.470 -0.000 0.000 0.215 80 S C 1.374 175.948 174.600 -0.043 0.000 0.976 80 S CA 1.095 59.264 58.200 -0.051 0.000 0.908 80 S CB 0.633 63.813 63.200 -0.033 0.000 0.781 80 S HN 1.557 nan 8.310 nan 0.000 0.519 81 G N -0.057 108.703 108.800 -0.067 0.000 3.008 81 G HA2 0.702 4.662 3.960 -0.000 0.000 0.181 81 G HA3 0.702 4.662 3.960 -0.000 0.000 0.181 81 G C 0.113 175.002 174.900 -0.017 0.000 1.309 81 G CA -0.603 44.475 45.100 -0.038 0.000 1.009 81 G HN 1.312 nan 8.290 nan 0.000 0.584 82 G N -1.615 107.183 108.800 -0.004 0.000 2.465 82 G HA2 0.408 4.367 3.960 -0.000 0.000 0.681 82 G HA3 0.408 4.367 3.960 -0.000 0.000 0.681 82 G C -1.083 173.838 174.900 0.035 0.000 1.340 82 G CA 0.132 45.248 45.100 0.028 0.000 0.884 82 G HN 0.864 nan 8.290 nan 0.000 0.650 83 E N -0.566 119.658 120.200 0.041 0.000 2.381 83 E HA 0.607 4.957 4.350 -0.000 0.000 0.286 83 E C 0.106 176.722 176.600 0.027 0.000 0.960 83 E CA -0.156 56.265 56.400 0.035 0.000 0.793 83 E CB 1.596 31.296 29.700 -0.001 0.000 1.225 83 E HN 1.240 nan 8.360 nan 0.000 0.420 84 S N 3.221 118.961 115.700 0.067 0.000 2.745 84 S HA 0.379 4.849 4.470 -0.000 0.000 0.292 84 S C 1.342 175.839 174.600 -0.172 0.000 1.133 84 S CA -0.572 57.627 58.200 -0.001 0.000 0.998 84 S CB 0.648 63.979 63.200 0.218 0.000 1.087 84 S HN 0.673 nan 8.310 nan 0.000 0.551 85 I N -2.034 118.275 120.570 -0.435 0.000 3.444 85 I HA 0.141 4.311 4.170 -0.000 0.000 0.287 85 I C 0.402 176.233 176.117 -0.476 0.000 1.302 85 I CA 0.608 61.615 61.300 -0.488 0.000 1.368 85 I CB -0.508 37.118 38.000 -0.622 0.000 1.048 85 I HN 0.558 nan 8.210 nan 0.000 0.487 86 Y N 2.163 122.386 120.300 -0.129 0.000 2.458 86 Y HA 0.605 5.155 4.550 -0.000 0.000 0.256 86 Y C 1.346 177.242 175.900 -0.007 0.000 1.159 86 Y CA -0.194 57.851 58.100 -0.092 0.000 1.261 86 Y CB 0.079 38.447 38.460 -0.153 0.000 1.119 86 Y HN 0.377 nan 8.280 nan 0.000 0.524 87 G N -0.395 108.467 108.800 0.104 0.000 2.318 87 G HA2 0.094 4.054 3.960 -0.000 0.000 0.367 87 G HA3 0.094 4.054 3.960 -0.000 0.000 0.367 87 G C 0.793 175.758 174.900 0.108 0.000 1.260 87 G CA -0.214 44.941 45.100 0.092 0.000 1.055 87 G HN 0.165 nan 8.290 nan 0.000 0.484 88 R N -0.645 119.908 120.500 0.087 0.000 2.159 88 R HA 0.462 4.802 4.340 -0.000 0.000 0.237 88 R C 1.750 178.118 176.300 0.114 0.000 1.131 88 R CA 3.243 59.390 56.100 0.078 0.000 0.982 88 R CB -1.040 29.292 30.300 0.053 0.000 0.868 88 R HN 2.567 nan 8.270 nan 0.000 0.453 89 S N -2.659 113.138 115.700 0.161 0.000 2.615 89 S HA 0.704 5.174 4.470 -0.000 0.000 0.268 89 S C -0.868 173.918 174.600 0.309 0.000 1.146 89 S CA -0.479 57.831 58.200 0.184 0.000 0.818 89 S CB 1.066 64.300 63.200 0.056 0.000 1.111 89 S HN 1.231 nan 8.310 nan 0.000 0.465 90 F N -1.097 118.893 119.950 0.066 0.000 2.645 90 F HA 0.815 5.342 4.527 -0.000 0.000 0.310 90 F C -0.093 175.703 175.800 -0.007 0.000 1.102 90 F CA -0.506 57.509 58.000 0.026 0.000 0.952 90 F CB 0.733 39.759 39.000 0.044 0.000 1.326 90 F HN 0.866 nan 8.300 nan 0.000 0.456 91 T N -0.984 113.617 114.554 0.078 0.000 2.856 91 T HA 0.167 4.516 4.350 -0.000 0.000 0.306 91 T C -0.326 174.330 174.700 -0.073 0.000 1.062 91 T CA -0.621 61.465 62.100 -0.023 0.000 1.083 91 T CB 0.382 69.252 68.868 0.004 0.000 0.984 91 T HN 0.582 nan 8.240 nan 0.000 0.542 92 D N 1.761 122.098 120.400 -0.106 0.000 2.358 92 D HA 0.079 4.719 4.640 -0.000 0.000 0.258 92 D C 1.047 177.216 176.300 -0.218 0.000 1.223 92 D CA 0.068 53.953 54.000 -0.191 0.000 0.886 92 D CB 1.339 42.045 40.800 -0.156 0.000 1.120 92 D HN 0.823 nan 8.370 nan 0.000 0.482 93 E N 2.590 122.681 120.200 -0.183 0.000 2.017 93 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 93 E C 0.129 176.586 176.600 -0.239 0.000 0.997 93 E CA 1.209 57.524 56.400 -0.141 0.000 0.804 93 E CB 0.312 29.977 29.700 -0.059 0.000 0.757 93 E HN 0.671 nan 8.360 nan 0.000 0.448 94 N N -3.166 115.291 118.700 -0.404 0.000 3.348 94 N HA 0.097 4.837 4.740 -0.000 0.000 0.233 94 N C -1.389 173.754 175.510 -0.611 0.000 1.440 94 N CA -0.633 52.163 53.050 -0.423 0.000 0.887 94 N CB -0.012 38.393 38.487 -0.138 0.000 1.410 94 N HN -0.047 nan 8.380 nan 0.000 0.502 95 F N -0.145 119.836 119.950 0.051 0.000 2.850 95 F HA 0.454 4.980 4.527 -0.000 0.000 0.329 95 F C 1.138 176.964 175.800 0.042 0.000 1.182 95 F CA -0.759 57.277 58.000 0.060 0.000 1.270 95 F CB -0.113 38.925 39.000 0.063 0.000 0.979 95 F HN 0.359 nan 8.300 nan 0.000 0.506 96 N N 0.458 119.226 118.700 0.114 0.000 2.069 96 N HA -0.104 4.636 4.740 -0.000 0.000 0.191 96 N C 0.942 176.479 175.510 0.045 0.000 1.031 96 N CA 1.180 54.270 53.050 0.066 0.000 0.852 96 N CB -0.040 38.455 38.487 0.014 0.000 1.018 96 N HN 0.188 nan 8.380 nan 0.000 0.423 97 M N 1.519 121.140 119.600 0.035 0.000 2.235 97 M HA 0.153 4.633 4.480 -0.000 0.000 0.351 97 M C 0.298 176.609 176.300 0.018 0.000 1.178 97 M CA 0.009 55.306 55.300 -0.005 0.000 1.143 97 M CB 1.005 33.603 32.600 -0.003 0.000 1.530 97 M HN -0.097 nan 8.290 nan 0.000 0.461 98 K N 1.532 121.927 120.400 -0.009 0.000 2.238 98 K HA 0.378 4.698 4.320 -0.000 0.000 0.239 98 K C -0.455 176.105 176.600 -0.066 0.000 0.987 98 K CA -0.718 55.581 56.287 0.020 0.000 0.857 98 K CB 0.523 33.060 32.500 0.061 0.000 1.154 98 K HN 0.525 nan 8.250 nan 0.000 0.439 99 H N 1.034 120.096 119.070 -0.014 0.000 2.768 99 H HA 0.049 4.605 4.556 -0.000 0.000 0.228 99 H C -0.073 175.216 175.328 -0.064 0.000 1.812 99 H CA -0.208 55.803 56.048 -0.061 0.000 1.273 99 H CB -0.603 29.069 29.762 -0.151 0.000 1.631 99 H HN 0.491 nan 8.280 nan 0.000 0.526 100 D N -0.584 119.841 120.400 0.042 0.000 2.328 100 D HA -0.039 4.601 4.640 -0.000 0.000 0.226 100 D C 0.410 176.726 176.300 0.026 0.000 1.066 100 D CA -0.138 53.881 54.000 0.032 0.000 0.861 100 D CB 0.236 41.050 40.800 0.023 0.000 0.912 100 D HN 0.672 nan 8.370 nan 0.000 0.521 101 Q N -2.390 117.424 119.800 0.023 0.000 2.633 101 Q HA 0.495 4.834 4.340 -0.000 0.000 0.289 101 Q C -3.370 172.641 176.000 0.018 0.000 0.940 101 Q CA -1.985 53.830 55.803 0.021 0.000 0.785 101 Q CB 1.029 29.776 28.738 0.016 0.000 1.467 101 Q HN -0.222 nan 8.270 nan 0.000 0.401 102 P HA 0.238 nan 4.420 nan 0.000 0.274 102 P C 0.232 177.532 177.300 -0.000 0.000 1.246 102 P CA 1.001 64.110 63.100 0.014 0.000 0.795 102 P CB 0.487 32.197 31.700 0.017 0.000 1.006 103 G N -0.443 108.354 108.800 -0.004 0.000 2.160 103 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.251 103 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.251 103 G C -0.315 174.570 174.900 -0.026 0.000 1.008 103 G CA -0.229 44.865 45.100 -0.011 0.000 0.724 103 G HN 0.381 nan 8.290 nan 0.000 0.514 104 L N -0.574 120.620 121.223 -0.047 0.000 2.334 104 L HA 0.670 5.010 4.340 -0.000 0.000 0.275 104 L C 0.300 177.041 176.870 -0.215 0.000 1.036 104 L CA -1.305 53.460 54.840 -0.126 0.000 0.807 104 L CB 1.456 43.454 42.059 -0.102 0.000 1.231 104 L HN 0.059 nan 8.230 nan 0.000 0.438 105 L N 2.137 123.073 121.223 -0.478 0.000 2.275 105 L HA 0.475 4.814 4.340 -0.000 0.000 0.288 105 L C -0.086 176.351 176.870 -0.722 0.000 1.046 105 L CA 0.593 54.969 54.840 -0.773 0.000 0.805 105 L CB 1.347 42.495 42.059 -1.518 0.000 1.193 105 L HN 0.558 nan 8.230 nan 0.000 0.426 106 S N 4.649 120.228 115.700 -0.202 0.000 2.569 106 S HA 0.693 5.163 4.470 -0.000 0.000 0.280 106 S C -0.704 174.193 174.600 0.494 0.000 1.111 106 S CA -0.845 57.463 58.200 0.181 0.000 0.887 106 S CB 1.064 64.400 63.200 0.228 0.000 1.095 106 S HN 0.445 nan 8.310 nan 0.000 0.476 107 M N 3.284 123.221 119.600 0.561 0.000 2.185 107 M HA 0.429 4.908 4.480 -0.000 0.000 0.357 107 M C 0.457 177.013 176.300 0.428 0.000 1.260 107 M CA -0.324 55.242 55.300 0.443 0.000 1.124 107 M CB 0.446 33.190 32.600 0.240 0.000 1.600 107 M HN 0.787 nan 8.290 nan 0.000 0.467 108 A N 4.382 127.399 122.820 0.328 0.000 2.286 108 A HA 0.718 5.038 4.320 -0.000 0.000 0.286 108 A C 0.070 177.800 177.584 0.243 0.000 1.097 108 A CA -0.401 51.812 52.037 0.293 0.000 0.821 108 A CB 0.458 19.554 19.000 0.160 0.000 1.076 108 A HN 0.974 nan 8.150 nan 0.000 0.490 109 N N -1.820 117.020 118.700 0.233 0.000 3.364 109 N HA 0.593 5.332 4.740 -0.000 0.000 0.294 109 N C -0.798 174.766 175.510 0.090 0.000 1.562 109 N CA -0.046 53.061 53.050 0.096 0.000 0.862 109 N CB 1.109 39.596 38.487 -0.001 0.000 1.691 109 N HN 0.792 nan 8.380 nan 0.000 0.572 110 A N -0.989 121.853 122.820 0.038 0.000 2.812 110 A HA 0.809 5.129 4.320 -0.000 0.000 0.294 110 A C 0.656 178.250 177.584 0.017 0.000 1.014 110 A CA 0.223 52.284 52.037 0.040 0.000 1.024 110 A CB -1.211 17.809 19.000 0.033 0.000 1.162 110 A HN 1.715 nan 8.150 nan 0.000 0.511 111 G N -0.097 108.700 108.800 -0.005 0.000 2.434 111 G HA2 0.105 4.065 3.960 -0.000 0.000 0.671 111 G HA3 0.105 4.065 3.960 -0.000 0.000 0.671 111 G C -3.373 171.506 174.900 -0.035 0.000 1.280 111 G CA -0.805 44.283 45.100 -0.020 0.000 0.975 111 G HN 0.135 nan 8.290 nan 0.000 0.510 112 P HA 0.185 nan 4.420 nan 0.000 0.262 112 P C 0.178 177.472 177.300 -0.009 0.000 1.182 112 P CA 0.600 63.701 63.100 0.001 0.000 0.761 112 P CB 0.129 31.837 31.700 0.014 0.000 0.795 113 N N 0.590 119.279 118.700 -0.017 0.000 2.725 113 N HA -0.146 4.594 4.740 -0.000 0.000 0.251 113 N C -0.075 175.385 175.510 -0.084 0.000 1.031 113 N CA 1.546 54.561 53.050 -0.058 0.000 0.720 113 N CB -1.783 36.692 38.487 -0.020 0.000 0.930 113 N HN 0.571 nan 8.380 nan 0.000 0.543 114 T N -3.940 110.547 114.554 -0.110 0.000 3.380 114 T HA 0.150 4.500 4.350 -0.000 0.000 0.289 114 T C 0.223 174.833 174.700 -0.149 0.000 1.012 114 T CA -0.640 61.406 62.100 -0.091 0.000 0.944 114 T CB 0.392 69.239 68.868 -0.035 0.000 1.172 114 T HN 0.039 nan 8.240 nan 0.000 0.502 115 N N 2.427 120.910 118.700 -0.361 0.000 2.492 115 N HA 0.262 5.002 4.740 -0.000 0.000 0.262 115 N C 0.786 176.108 175.510 -0.312 0.000 1.202 115 N CA 0.411 53.149 53.050 -0.519 0.000 0.926 115 N CB 1.767 39.478 38.487 -1.294 0.000 1.078 115 N HN 0.635 nan 8.380 nan 0.000 0.454 116 S N 0.352 116.055 115.700 0.004 0.000 3.669 116 S HA 0.142 4.612 4.470 -0.000 0.000 0.171 116 S C 1.040 175.819 174.600 0.299 0.000 0.855 116 S CA 0.222 58.541 58.200 0.200 0.000 1.037 116 S CB 0.111 63.382 63.200 0.118 0.000 1.477 116 S HN 0.518 nan 8.310 nan 0.000 0.854 117 S N -0.029 115.818 115.700 0.245 0.000 2.684 117 S HA 0.349 4.818 4.470 -0.000 0.000 0.268 117 S C 0.108 175.000 174.600 0.487 0.000 1.075 117 S CA -0.477 57.928 58.200 0.342 0.000 1.184 117 S CB -0.241 63.082 63.200 0.204 0.000 1.129 117 S HN 0.505 nan 8.310 nan 0.000 0.630 118 Q N 1.249 121.226 119.800 0.295 0.000 2.327 118 Q HA 0.574 4.913 4.340 -0.000 0.000 0.254 118 Q C -0.817 175.360 176.000 0.295 0.000 0.952 118 Q CA -0.194 55.718 55.803 0.183 0.000 0.884 118 Q CB 0.703 29.496 28.738 0.092 0.000 1.224 118 Q HN 0.641 nan 8.270 nan 0.000 0.422 119 F N -0.379 119.689 119.950 0.197 0.000 2.685 119 F HA 0.744 5.270 4.527 -0.000 0.000 0.315 119 F C -1.675 174.189 175.800 0.107 0.000 1.126 119 F CA -1.572 56.558 58.000 0.217 0.000 0.950 119 F CB 0.791 39.999 39.000 0.346 0.000 1.360 119 F HN 0.351 nan 8.300 nan 0.000 0.469 120 L N 0.125 121.521 121.223 0.288 0.000 2.350 120 L HA 0.833 5.173 4.340 -0.000 0.000 0.260 120 L C -1.491 175.500 176.870 0.202 0.000 1.015 120 L CA -1.069 53.843 54.840 0.119 0.000 0.821 120 L CB 2.458 44.480 42.059 -0.062 0.000 1.370 120 L HN 0.713 nan 8.230 nan 0.000 0.416 121 I N 1.347 122.011 120.570 0.156 0.000 2.410 121 I HA 0.335 4.504 4.170 -0.000 0.000 0.286 121 I C 0.197 176.322 176.117 0.012 0.000 1.009 121 I CA -0.554 60.817 61.300 0.118 0.000 1.111 121 I CB 2.158 40.294 38.000 0.227 0.000 1.262 121 I HN 0.858 nan 8.210 nan 0.000 0.443 122 T N 3.834 118.381 114.554 -0.012 0.000 2.930 122 T HA 0.307 4.657 4.350 -0.000 0.000 0.306 122 T C 0.711 175.412 174.700 0.002 0.000 1.045 122 T CA -0.277 61.809 62.100 -0.023 0.000 1.134 122 T CB 1.234 70.106 68.868 0.006 0.000 0.961 122 T HN 0.509 nan 8.240 nan 0.000 0.545 123 L N 2.168 123.405 121.223 0.023 0.000 2.638 123 L HA 0.344 4.684 4.340 -0.000 0.000 0.232 123 L C 0.397 177.308 176.870 0.068 0.000 1.099 123 L CA -0.237 54.628 54.840 0.041 0.000 0.883 123 L CB 0.498 42.589 42.059 0.052 0.000 1.136 123 L HN 0.780 nan 8.230 nan 0.000 0.492 124 V N -6.117 113.852 119.914 0.092 0.000 3.253 124 V HA 0.583 4.703 4.120 -0.000 0.000 0.300 124 V C -2.976 173.164 176.094 0.077 0.000 1.398 124 V CA -2.273 60.089 62.300 0.102 0.000 1.067 124 V CB 1.437 33.357 31.823 0.162 0.000 1.102 124 V HN -0.238 nan 8.190 nan 0.000 0.455 125 P HA 0.401 nan 4.420 nan 0.000 0.271 125 P C -0.541 176.707 177.300 -0.087 0.000 1.216 125 P CA -0.011 63.102 63.100 0.022 0.000 0.776 125 P CB 0.468 32.198 31.700 0.050 0.000 0.881 126 C N 5.592 124.722 119.300 -0.284 0.000 3.276 126 C HA 0.191 4.651 4.460 -0.000 0.000 0.226 126 C C -0.782 173.684 174.990 -0.873 0.000 1.502 126 C CA -1.166 57.242 59.018 -1.017 0.000 1.488 126 C CB 0.119 27.290 27.740 -0.950 0.000 2.014 126 C HN 0.581 nan 8.230 nan 0.000 0.492 127 P HA -0.169 nan 4.420 nan 0.000 0.217 127 P C 1.268 178.532 177.300 -0.060 0.000 1.148 127 P CA 1.687 64.734 63.100 -0.089 0.000 0.828 127 P CB -0.065 31.683 31.700 0.080 0.000 0.783 128 W N -0.165 121.126 121.300 -0.016 0.000 2.721 128 W HA 0.101 4.761 4.660 -0.000 0.000 0.245 128 W C 1.449 177.945 176.519 -0.038 0.000 1.276 128 W CA 0.083 57.412 57.345 -0.027 0.000 1.342 128 W CB -1.569 27.869 29.460 -0.037 0.000 1.135 128 W HN -0.178 nan 8.180 nan 0.000 0.654 129 L N 0.722 121.652 121.223 -0.488 0.000 2.554 129 L HA 0.102 4.442 4.340 -0.000 0.000 0.225 129 L C 0.568 177.337 176.870 -0.168 0.000 1.104 129 L CA -0.106 54.485 54.840 -0.415 0.000 0.866 129 L CB -0.629 40.804 42.059 -1.044 0.000 1.047 129 L HN -0.219 nan 8.230 nan 0.000 0.468 130 D N 1.097 121.458 120.400 -0.066 0.000 2.488 130 D HA 0.157 4.796 4.640 -0.000 0.000 0.238 130 D C 1.293 177.582 176.300 -0.019 0.000 1.138 130 D CA 1.398 55.474 54.000 0.126 0.000 0.873 130 D CB 1.083 41.950 40.800 0.113 0.000 1.183 130 D HN 0.275 nan 8.370 nan 0.000 0.458 131 G N 2.054 110.783 108.800 -0.119 0.000 2.205 131 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.261 131 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.261 131 G C 1.025 175.288 174.900 -1.060 0.000 0.980 131 G CA 0.732 45.434 45.100 -0.663 0.000 0.632 131 G HN 0.539 nan 8.290 nan 0.000 0.533 132 K N -0.815 119.325 120.400 -0.434 0.000 2.436 132 K HA 0.212 4.532 4.320 -0.000 0.000 0.198 132 K C 0.385 176.881 176.600 -0.173 0.000 1.174 132 K CA 0.052 56.151 56.287 -0.313 0.000 0.951 132 K CB 0.576 32.992 32.500 -0.140 0.000 1.040 132 K HN 0.515 nan 8.250 nan 0.000 0.536 133 H N 0.440 119.684 119.070 0.290 0.000 2.538 133 H HA 0.256 4.812 4.556 -0.000 0.000 0.353 133 H C -0.897 174.755 175.328 0.539 0.000 1.109 133 H CA -0.803 55.490 56.048 0.407 0.000 1.192 133 H CB 2.367 32.322 29.762 0.321 0.000 1.555 133 H HN -0.239 nan 8.280 nan 0.000 0.518 134 V N 4.098 124.292 119.914 0.467 0.000 2.389 134 V HA 0.018 4.138 4.120 -0.000 0.000 0.264 134 V C 0.484 176.779 176.094 0.335 0.000 1.049 134 V CA -0.469 62.006 62.300 0.293 0.000 0.932 134 V CB 0.796 32.669 31.823 0.082 0.000 1.011 134 V HN 0.418 nan 8.190 nan 0.000 0.475 135 V N 7.317 127.343 119.914 0.187 0.000 2.455 135 V HA 0.209 4.329 4.120 -0.000 0.000 0.273 135 V C 0.541 176.766 176.094 0.218 0.000 1.045 135 V CA 0.129 62.454 62.300 0.043 0.000 0.976 135 V CB 0.523 32.260 31.823 -0.144 0.000 0.993 135 V HN 0.926 nan 8.190 nan 0.000 0.475 136 F N 1.944 121.851 119.950 -0.072 0.000 2.856 136 F HA 0.821 5.347 4.527 -0.000 0.000 0.338 136 F C 0.541 175.988 175.800 -0.589 0.000 1.100 136 F CA -0.192 57.743 58.000 -0.109 0.000 1.150 136 F CB 0.167 39.093 39.000 -0.123 0.000 1.101 136 F HN 0.557 nan 8.300 nan 0.000 0.548 137 G N 0.969 108.962 108.800 -1.345 0.000 2.488 137 G HA2 0.540 4.500 3.960 -0.000 0.000 0.301 137 G HA3 0.540 4.500 3.960 -0.000 0.000 0.301 137 G C -2.122 172.115 174.900 -1.104 0.000 1.339 137 G CA -0.825 43.273 45.100 -1.670 0.000 0.803 137 G HN 0.398 nan 8.290 nan 0.000 0.482 138 K N -1.268 118.717 120.400 -0.692 0.000 2.568 138 K HA 0.673 4.993 4.320 -0.000 0.000 0.273 138 K C -1.303 175.260 176.600 -0.061 0.000 0.951 138 K CA -0.935 55.205 56.287 -0.244 0.000 0.854 138 K CB 2.075 34.544 32.500 -0.052 0.000 1.424 138 K HN 0.419 nan 8.250 nan 0.000 0.427 139 V N 3.551 123.451 119.914 -0.023 0.000 2.521 139 V HA 0.080 4.200 4.120 -0.000 0.000 0.286 139 V C 1.193 177.197 176.094 -0.149 0.000 1.034 139 V CA -0.008 62.195 62.300 -0.162 0.000 1.045 139 V CB 0.366 32.069 31.823 -0.201 0.000 0.974 139 V HN 0.845 nan 8.190 nan 0.000 0.480 140 I N 0.928 121.383 120.570 -0.191 0.000 4.288 140 I HA 0.552 4.721 4.170 -0.000 0.000 0.331 140 I C 0.524 176.543 176.117 -0.163 0.000 1.322 140 I CA 0.224 61.447 61.300 -0.129 0.000 1.149 140 I CB 0.572 38.522 38.000 -0.083 0.000 1.112 140 I HN 0.632 nan 8.210 nan 0.000 0.403 141 E N 0.847 120.899 120.200 -0.248 0.000 2.354 141 E HA 0.453 4.803 4.350 -0.000 0.000 0.283 141 E C 0.015 176.437 176.600 -0.296 0.000 0.938 141 E CA -0.033 56.220 56.400 -0.245 0.000 0.777 141 E CB 1.867 31.407 29.700 -0.266 0.000 1.222 141 E HN 0.313 nan 8.360 nan 0.000 0.423 142 G N 3.307 111.974 108.800 -0.221 0.000 2.134 142 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.209 142 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.209 142 G C 0.580 175.372 174.900 -0.180 0.000 0.993 142 G CA 0.400 45.376 45.100 -0.207 0.000 0.669 142 G HN 0.514 nan 8.290 nan 0.000 0.519 143 M N 2.073 121.579 119.600 -0.156 0.000 2.267 143 M HA -0.030 4.450 4.480 -0.000 0.000 0.263 143 M C 2.367 178.613 176.300 -0.090 0.000 1.063 143 M CA 2.365 57.595 55.300 -0.118 0.000 1.090 143 M CB -0.489 32.057 32.600 -0.091 0.000 1.392 143 M HN 0.560 nan 8.290 nan 0.000 0.422 144 N N -0.676 117.972 118.700 -0.086 0.000 2.309 144 N HA -0.108 4.632 4.740 -0.000 0.000 0.182 144 N C 1.440 176.907 175.510 -0.071 0.000 1.018 144 N CA 1.694 54.704 53.050 -0.067 0.000 0.876 144 N CB -0.857 37.594 38.487 -0.060 0.000 0.972 144 N HN 0.377 nan 8.380 nan 0.000 0.434 145 V N 1.088 120.950 119.914 -0.086 0.000 2.453 145 V HA -0.128 3.991 4.120 -0.000 0.000 0.247 145 V C 2.699 178.736 176.094 -0.096 0.000 1.048 145 V CA 0.853 63.103 62.300 -0.083 0.000 1.049 145 V CB -0.343 31.429 31.823 -0.086 0.000 0.672 145 V HN 0.092 nan 8.190 nan 0.000 0.457 146 V N -0.013 119.841 119.914 -0.100 0.000 2.295 146 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 146 V C 2.713 178.754 176.094 -0.089 0.000 1.049 146 V CA 1.779 64.018 62.300 -0.101 0.000 1.024 146 V CB -0.796 30.983 31.823 -0.073 0.000 0.648 146 V HN 0.426 nan 8.190 nan 0.000 0.447 147 R N 0.038 120.498 120.500 -0.067 0.000 2.120 147 R HA -0.116 4.224 4.340 -0.000 0.000 0.234 147 R C 2.171 178.438 176.300 -0.054 0.000 1.123 147 R CA 1.010 57.080 56.100 -0.050 0.000 0.975 147 R CB -0.627 29.650 30.300 -0.039 0.000 0.866 147 R HN 0.555 nan 8.270 nan 0.000 0.446 148 E N 0.479 120.641 120.200 -0.064 0.000 2.047 148 E HA -0.100 4.250 4.350 -0.000 0.000 0.191 148 E C 2.088 178.642 176.600 -0.078 0.000 0.987 148 E CA 1.080 57.443 56.400 -0.061 0.000 0.799 148 E CB -0.253 29.411 29.700 -0.060 0.000 0.752 148 E HN 0.337 nan 8.360 nan 0.000 0.449 149 M N 0.528 120.059 119.600 -0.114 0.000 2.108 149 M HA -0.175 4.304 4.480 -0.000 0.000 0.261 149 M C 2.337 178.565 176.300 -0.119 0.000 1.066 149 M CA 1.425 56.630 55.300 -0.158 0.000 1.107 149 M CB -0.313 32.119 32.600 -0.279 0.000 1.356 149 M HN 0.074 nan 8.290 nan 0.000 0.406 150 E N 1.119 121.264 120.200 -0.091 0.000 2.130 150 E HA -0.240 4.110 4.350 -0.000 0.000 0.196 150 E C 1.663 178.242 176.600 -0.035 0.000 0.998 150 E CA 1.433 57.801 56.400 -0.053 0.000 0.806 150 E CB 0.058 29.740 29.700 -0.031 0.000 0.738 150 E HN 0.476 nan 8.360 nan 0.000 0.459 151 K N 0.055 120.433 120.400 -0.037 0.000 2.360 151 K HA -0.102 4.218 4.320 -0.000 0.000 0.201 151 K C 1.630 178.213 176.600 -0.029 0.000 1.046 151 K CA 0.852 57.124 56.287 -0.025 0.000 0.945 151 K CB 0.119 32.604 32.500 -0.025 0.000 0.750 151 K HN 0.098 nan 8.250 nan 0.000 0.464 152 E N 0.440 120.611 120.200 -0.048 0.000 2.481 152 E HA 0.020 4.369 4.350 -0.000 0.000 0.195 152 E C 0.981 177.543 176.600 -0.063 0.000 1.047 152 E CA 0.186 56.551 56.400 -0.059 0.000 0.867 152 E CB 0.215 29.870 29.700 -0.076 0.000 0.858 152 E HN 0.305 nan 8.360 nan 0.000 0.513 153 G N 0.373 109.149 108.800 -0.040 0.000 2.537 153 G HA2 0.591 4.551 3.960 -0.000 0.000 0.297 153 G HA3 0.591 4.551 3.960 -0.000 0.000 0.297 153 G C -0.661 174.249 174.900 0.017 0.000 1.310 153 G CA 0.152 45.240 45.100 -0.021 0.000 1.027 153 G HN 0.180 nan 8.290 nan 0.000 0.505 154 A N -2.463 120.388 122.820 0.052 0.000 2.566 154 A HA 0.744 5.064 4.320 -0.000 0.000 0.292 154 A C 1.093 178.730 177.584 0.089 0.000 1.112 154 A CA 0.466 52.552 52.037 0.081 0.000 0.707 154 A CB 0.689 19.768 19.000 0.132 0.000 1.302 154 A HN 1.421 nan 8.150 nan 0.000 0.409 155 K N 0.099 120.546 120.400 0.077 0.000 2.152 155 K HA -0.121 4.199 4.320 -0.000 0.000 0.206 155 K C 1.845 178.493 176.600 0.081 0.000 1.048 155 K CA 2.777 59.106 56.287 0.070 0.000 0.933 155 K CB -1.087 31.440 32.500 0.045 0.000 0.721 155 K HN 1.620 nan 8.250 nan 0.000 0.447 156 S N -2.217 113.539 115.700 0.093 0.000 2.496 156 S HA 0.327 4.797 4.470 -0.000 0.000 0.224 156 S C 1.915 176.592 174.600 0.129 0.000 0.996 156 S CA 0.983 59.242 58.200 0.098 0.000 0.927 156 S CB 0.039 63.295 63.200 0.093 0.000 0.774 156 S HN 1.645 nan 8.310 nan 0.000 0.524 157 G N -0.003 108.879 108.800 0.137 0.000 2.194 157 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.236 157 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.236 157 G C -0.097 174.882 174.900 0.133 0.000 0.987 157 G CA 0.049 45.222 45.100 0.122 0.000 0.635 157 G HN 0.666 nan 8.290 nan 0.000 0.520 158 Y N 1.550 121.874 120.300 0.040 0.000 2.526 158 Y HA 0.441 4.991 4.550 -0.000 0.000 0.330 158 Y C 0.261 176.180 175.900 0.033 0.000 1.156 158 Y CA -0.051 58.072 58.100 0.038 0.000 1.419 158 Y CB 1.015 39.496 38.460 0.034 0.000 1.250 158 Y HN 0.205 nan 8.280 nan 0.000 0.540 159 V N 8.178 127.700 119.914 -0.653 0.000 2.304 159 V HA 0.318 4.437 4.120 -0.000 0.000 0.278 159 V C 0.810 176.413 176.094 -0.819 0.000 1.018 159 V CA -0.065 61.913 62.300 -0.537 0.000 0.814 159 V CB 0.080 31.767 31.823 -0.228 0.000 1.021 159 V HN 0.976 nan 8.190 nan 0.000 0.440 160 K N 4.985 124.949 120.400 -0.727 0.000 1.985 160 K HA 0.026 4.346 4.320 -0.000 0.000 0.210 160 K C 1.119 177.611 176.600 -0.181 0.000 1.047 160 K CA 1.169 57.210 56.287 -0.411 0.000 0.932 160 K CB -0.153 32.291 32.500 -0.092 0.000 0.716 160 K HN 0.641 nan 8.250 nan 0.000 0.439 161 R N 0.951 121.374 120.500 -0.128 0.000 2.459 161 R HA 0.344 4.684 4.340 -0.000 0.000 0.281 161 R C -0.372 175.891 176.300 -0.062 0.000 1.050 161 R CA -0.386 55.674 56.100 -0.067 0.000 1.055 161 R CB 1.411 31.684 30.300 -0.044 0.000 1.045 161 R HN 0.294 nan 8.270 nan 0.000 0.495 162 S N 1.404 117.086 115.700 -0.030 0.000 2.488 162 S HA 0.090 4.560 4.470 -0.000 0.000 0.278 162 S C -0.034 174.567 174.600 0.001 0.000 1.259 162 S CA -0.453 57.742 58.200 -0.009 0.000 1.061 162 S CB 0.682 63.883 63.200 0.002 0.000 0.910 162 S HN 0.257 nan 8.310 nan 0.000 0.491 163 V N 5.626 125.557 119.914 0.028 0.000 2.293 163 V HA 0.336 4.456 4.120 -0.000 0.000 0.275 163 V C -0.100 176.071 176.094 0.128 0.000 1.021 163 V CA -0.521 61.806 62.300 0.046 0.000 0.815 163 V CB 0.888 32.723 31.823 0.020 0.000 1.025 163 V HN 0.645 nan 8.190 nan 0.000 0.448 164 V N 5.677 125.638 119.914 0.079 0.000 2.667 164 V HA 0.496 4.616 4.120 -0.000 0.000 0.308 164 V C 0.054 176.178 176.094 0.050 0.000 1.048 164 V CA -0.705 61.633 62.300 0.065 0.000 0.928 164 V CB 2.562 34.397 31.823 0.020 0.000 1.004 164 V HN 0.649 nan 8.190 nan 0.000 0.444 165 I N 3.528 124.090 120.570 -0.014 0.000 2.269 165 I HA 0.108 4.277 4.170 -0.000 0.000 0.293 165 I C 1.691 177.758 176.117 -0.084 0.000 1.106 165 I CA 0.036 61.273 61.300 -0.104 0.000 1.248 165 I CB 1.239 39.019 38.000 -0.367 0.000 1.444 165 I HN 0.935 nan 8.210 nan 0.000 0.497 166 T N 0.484 115.030 114.554 -0.014 0.000 2.951 166 T HA -0.029 4.320 4.350 -0.000 0.000 0.268 166 T C 0.468 175.172 174.700 0.006 0.000 1.073 166 T CA 0.693 62.794 62.100 0.001 0.000 1.134 166 T CB 0.089 68.980 68.868 0.038 0.000 0.884 166 T HN 0.487 nan 8.240 nan 0.000 0.479 167 D N -0.716 119.701 120.400 0.029 0.000 2.654 167 D HA 0.533 5.173 4.640 -0.000 0.000 0.231 167 D C -1.247 175.028 176.300 -0.042 0.000 1.239 167 D CA -0.497 53.538 54.000 0.058 0.000 0.790 167 D CB 1.819 42.754 40.800 0.224 0.000 1.480 167 D HN 0.526 nan 8.370 nan 0.000 0.442 168 C N 0.385 119.575 119.300 -0.185 0.000 3.306 168 C HA 1.114 5.574 4.460 -0.000 0.000 0.335 168 C C 0.143 174.861 174.990 -0.452 0.000 1.382 168 C CA 0.064 58.748 59.018 -0.555 0.000 1.254 168 C CB 1.109 28.811 27.740 -0.062 0.000 1.555 168 C HN 0.990 nan 8.230 nan 0.000 0.463 169 G N 0.206 108.697 108.800 -0.514 0.000 2.345 169 G HA2 0.427 4.387 3.960 -0.000 0.000 0.285 169 G HA3 0.427 4.387 3.960 -0.000 0.000 0.285 169 G C -1.912 173.134 174.900 0.242 0.000 1.297 169 G CA -0.752 44.364 45.100 0.027 0.000 0.875 169 G HN 1.024 nan 8.290 nan 0.000 0.506 170 E N -0.333 120.062 120.200 0.326 0.000 2.349 170 E HA 0.365 4.715 4.350 -0.000 0.000 0.265 170 E C -0.569 176.340 176.600 0.516 0.000 1.064 170 E CA -0.500 56.111 56.400 0.351 0.000 0.886 170 E CB 1.706 31.526 29.700 0.200 0.000 1.036 170 E HN 0.453 nan 8.360 nan 0.000 0.413 171 W N 0.000 121.459 121.300 0.265 0.000 2.388 171 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 171 W CA 0.000 57.447 57.345 0.170 0.000 1.226 171 W CB 0.000 29.562 29.460 0.170 0.000 1.126 171 W HN 0.000 nan 8.180 nan 0.000 0.535