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 1swl_1_B DATA FIRST_RESID 16 DATA SEQUENCE GITGTWYNQL GSTFIVTAGA DGALTGTYEX XXXNAESRYV LTGRYDSAPA DATA SEQUENCE TDGSGTALGW TVAWKNNYRN AHSATTWSGQ YVGGAEARIN TQFLLTSGTT DATA SEQUENCE EANAWKSTLV GHDTFTKV 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 16 G HA2 0.000 nan 3.960 nan 0.000 0.244 16 G HA3 0.000 3.957 3.960 -0.005 0.000 0.244 16 G C 0.000 174.825 174.900 -0.125 0.000 0.946 16 G CA 0.000 45.093 45.100 -0.011 0.000 0.502 17 I N 1.331 121.704 120.570 -0.328 0.000 2.628 17 I HA 0.104 4.271 4.170 -0.005 0.000 0.255 17 I C 1.246 177.391 176.117 0.046 0.000 1.119 17 I CA 0.673 61.838 61.300 -0.225 0.000 1.448 17 I CB 0.062 37.719 38.000 -0.570 0.000 1.133 17 I HN -0.059 nan 8.210 nan 0.000 0.438 18 T N 2.045 116.539 114.554 -0.100 0.000 2.905 18 T HA 0.355 4.702 4.350 -0.005 0.000 0.299 18 T C 0.334 174.984 174.700 -0.084 0.000 1.024 18 T CA 1.066 63.117 62.100 -0.083 0.000 1.151 18 T CB 0.313 69.121 68.868 -0.099 0.000 0.987 18 T HN 0.694 nan 8.240 nan 0.000 0.535 19 G N 2.871 111.599 108.800 -0.120 0.000 2.278 19 G HA2 0.157 4.113 3.960 -0.005 0.000 0.265 19 G HA3 0.157 4.113 3.960 -0.005 0.000 0.265 19 G C -0.815 173.866 174.900 -0.365 0.000 1.329 19 G CA -0.804 44.148 45.100 -0.247 0.000 1.017 19 G HN 0.712 nan 8.290 nan 0.000 0.472 20 T N 0.738 114.965 114.554 -0.545 0.000 2.767 20 T HA 0.607 4.954 4.350 -0.005 0.000 0.284 20 T C -1.093 173.000 174.700 -1.012 0.000 0.973 20 T CA 0.223 61.915 62.100 -0.680 0.000 0.996 20 T CB 0.975 69.521 68.868 -0.537 0.000 0.927 20 T HN 0.461 nan 8.240 nan 0.000 0.456 21 W N 1.880 122.532 121.300 -1.080 0.000 2.781 21 W HA 0.645 5.302 4.660 -0.005 0.000 0.345 21 W C -1.182 174.910 176.519 -0.712 0.000 1.085 21 W CA -0.872 55.964 57.345 -0.849 0.000 1.198 21 W CB 1.330 30.120 29.460 -1.118 0.000 1.423 21 W HN 0.563 nan 8.180 nan 0.000 0.532 22 Y N 2.310 122.774 120.300 0.274 0.000 2.442 22 Y HA 0.298 4.844 4.550 -0.006 0.000 0.344 22 Y C 0.444 176.539 175.900 0.324 0.000 0.976 22 Y CA -1.304 56.946 58.100 0.250 0.000 1.040 22 Y CB 1.286 39.799 38.460 0.089 0.000 1.228 22 Y HN 0.429 nan 8.280 nan 0.000 0.451 23 N N 0.869 119.790 118.700 0.368 0.000 2.643 23 N HA 0.121 4.858 4.740 -0.005 0.000 0.305 23 N C 0.303 175.870 175.510 0.096 0.000 1.283 23 N CA -0.662 52.414 53.050 0.043 0.000 0.946 23 N CB 0.463 38.837 38.487 -0.189 0.000 1.149 23 N HN 0.623 nan 8.380 nan 0.000 0.600 24 Q N -0.460 119.363 119.800 0.039 0.000 2.246 24 Q HA 0.202 4.539 4.340 -0.005 0.000 0.202 24 Q C -0.069 175.962 176.000 0.052 0.000 0.883 24 Q CA 0.471 56.304 55.803 0.050 0.000 0.952 24 Q CB -0.344 28.417 28.738 0.038 0.000 1.078 24 Q HN 0.677 nan 8.270 nan 0.000 0.493 25 L N 0.432 121.698 121.223 0.070 0.000 3.110 25 L HA 0.407 4.743 4.340 -0.005 0.000 0.266 25 L C 0.327 177.251 176.870 0.090 0.000 1.257 25 L CA 0.067 54.949 54.840 0.069 0.000 1.038 25 L CB 0.211 42.309 42.059 0.065 0.000 1.395 25 L HN 0.393 nan 8.230 nan 0.000 0.566 26 G N 0.643 109.504 108.800 0.102 0.000 2.289 26 G HA2 -0.228 3.729 3.960 -0.005 0.000 0.280 26 G HA3 -0.228 3.729 3.960 -0.005 0.000 0.280 26 G C -0.067 174.917 174.900 0.140 0.000 1.089 26 G CA 0.311 45.476 45.100 0.108 0.000 0.939 26 G HN 0.341 nan 8.290 nan 0.000 0.499 27 S N -0.850 114.959 115.700 0.182 0.000 2.542 27 S HA 0.889 5.356 4.470 -0.005 0.000 0.293 27 S C -0.000 174.668 174.600 0.114 0.000 1.089 27 S CA -0.182 58.111 58.200 0.154 0.000 0.961 27 S CB 2.239 65.592 63.200 0.255 0.000 1.062 27 S HN 0.563 nan 8.310 nan 0.000 0.483 28 T N 2.897 117.396 114.554 -0.092 0.000 2.916 28 T HA 0.649 4.995 4.350 -0.005 0.000 0.298 28 T C -1.241 173.254 174.700 -0.342 0.000 1.031 28 T CA -0.555 61.431 62.100 -0.190 0.000 0.993 28 T CB 0.743 69.524 68.868 -0.144 0.000 1.045 28 T HN 0.501 nan 8.240 nan 0.000 0.454 29 F N 1.595 121.261 119.950 -0.473 0.000 2.565 29 F HA 0.819 5.343 4.527 -0.005 0.000 0.313 29 F C -1.440 174.159 175.800 -0.335 0.000 1.091 29 F CA -1.468 56.258 58.000 -0.456 0.000 0.915 29 F CB 1.141 39.791 39.000 -0.583 0.000 1.208 29 F HN 0.319 nan 8.300 nan 0.000 0.453 30 I N 5.741 126.193 120.570 -0.198 0.000 2.355 30 I HA 0.488 4.654 4.170 -0.005 0.000 0.288 30 I C -0.485 175.589 176.117 -0.072 0.000 0.999 30 I CA -0.873 60.306 61.300 -0.202 0.000 1.163 30 I CB 1.476 39.385 38.000 -0.153 0.000 1.316 30 I HN 0.690 nan 8.210 nan 0.000 0.454 31 V N 2.559 122.427 119.914 -0.077 0.000 2.960 31 V HA 0.705 4.822 4.120 -0.005 0.000 0.315 31 V C -0.074 175.971 176.094 -0.082 0.000 1.087 31 V CA -0.517 61.750 62.300 -0.054 0.000 0.982 31 V CB 1.913 33.707 31.823 -0.048 0.000 1.039 31 V HN 0.683 nan 8.190 nan 0.000 0.437 32 T N 2.486 116.991 114.554 -0.083 0.000 2.809 32 T HA 0.731 5.078 4.350 -0.005 0.000 0.284 32 T C -0.097 174.550 174.700 -0.089 0.000 0.992 32 T CA 0.024 62.077 62.100 -0.078 0.000 0.957 32 T CB 1.391 70.228 68.868 -0.051 0.000 0.942 32 T HN 1.276 nan 8.240 nan 0.000 0.439 33 A N 3.023 125.763 122.820 -0.133 0.000 2.341 33 A HA 0.716 5.033 4.320 -0.005 0.000 0.326 33 A C 0.881 178.481 177.584 0.026 0.000 1.402 33 A CA -0.651 51.285 52.037 -0.169 0.000 0.957 33 A CB -0.065 18.584 19.000 -0.585 0.000 1.151 33 A HN 0.934 nan 8.150 nan 0.000 0.533 34 G N 0.585 109.462 108.800 0.128 0.000 2.636 34 G HA2 0.431 4.387 3.960 -0.005 0.000 0.246 34 G HA3 0.431 4.387 3.960 -0.005 0.000 0.246 34 G C 1.152 176.157 174.900 0.175 0.000 1.216 34 G CA 0.105 45.278 45.100 0.121 0.000 0.854 34 G HN 1.254 nan 8.290 nan 0.000 0.572 35 A N -0.259 122.618 122.820 0.094 0.000 1.940 35 A HA -0.035 4.281 4.320 -0.005 0.000 0.219 35 A C 1.414 179.016 177.584 0.029 0.000 1.176 35 A CA 1.763 53.844 52.037 0.073 0.000 0.631 35 A CB -0.098 18.925 19.000 0.039 0.000 0.814 35 A HN 0.618 nan 8.150 nan 0.000 0.446 36 D N -1.223 119.179 120.400 0.002 0.000 2.485 36 D HA 0.366 5.003 4.640 -0.005 0.000 0.256 36 D C 0.977 177.210 176.300 -0.113 0.000 1.141 36 D CA 0.316 54.275 54.000 -0.068 0.000 0.942 36 D CB -0.143 40.628 40.800 -0.048 0.000 1.003 36 D HN 0.473 nan 8.370 nan 0.000 0.507 37 G N 2.839 111.450 108.800 -0.314 0.000 2.200 37 G HA2 -0.296 3.661 3.960 -0.005 0.000 0.268 37 G HA3 -0.296 3.661 3.960 -0.005 0.000 0.268 37 G C 0.587 175.473 174.900 -0.024 0.000 0.986 37 G CA 0.539 45.303 45.100 -0.559 0.000 0.677 37 G HN 0.788 nan 8.290 nan 0.000 0.532 38 A N -0.763 122.133 122.820 0.127 0.000 2.340 38 A HA 0.758 5.075 4.320 -0.005 0.000 0.268 38 A C -0.283 177.436 177.584 0.226 0.000 1.100 38 A CA -0.034 52.094 52.037 0.152 0.000 0.803 38 A CB 0.954 20.001 19.000 0.079 0.000 1.043 38 A HN 0.911 nan 8.150 nan 0.000 0.488 39 L N 2.030 123.332 121.223 0.132 0.000 2.406 39 L HA 0.635 4.972 4.340 -0.005 0.000 0.272 39 L C 0.101 176.963 176.870 -0.014 0.000 0.980 39 L CA 0.378 55.237 54.840 0.033 0.000 0.831 39 L CB 2.009 44.087 42.059 0.032 0.000 1.253 39 L HN 0.936 nan 8.230 nan 0.000 0.406 40 T N 0.340 114.866 114.554 -0.047 0.000 2.933 40 T HA 0.991 5.338 4.350 -0.005 0.000 0.305 40 T C -0.273 174.386 174.700 -0.068 0.000 1.092 40 T CA -0.228 61.844 62.100 -0.047 0.000 1.008 40 T CB 2.200 71.056 68.868 -0.020 0.000 1.102 40 T HN 0.890 nan 8.240 nan 0.000 0.469 41 G N 0.908 109.668 108.800 -0.067 0.000 2.364 41 G HA2 0.650 4.606 3.960 -0.005 0.000 0.286 41 G HA3 0.650 4.606 3.960 -0.005 0.000 0.286 41 G C -1.022 173.862 174.900 -0.026 0.000 1.241 41 G CA -0.149 44.919 45.100 -0.054 0.000 0.887 41 G HN 1.477 nan 8.290 nan 0.000 0.484 42 T N -2.588 111.965 114.554 -0.001 0.000 2.886 42 T HA 0.633 4.979 4.350 -0.005 0.000 0.292 42 T C -1.643 173.124 174.700 0.112 0.000 1.012 42 T CA -0.514 61.619 62.100 0.055 0.000 0.982 42 T CB 2.134 71.029 68.868 0.045 0.000 1.018 42 T HN 0.749 nan 8.240 nan 0.000 0.451 43 Y N 2.278 122.618 120.300 0.067 0.000 2.335 43 Y HA 0.531 5.078 4.550 -0.005 0.000 0.339 43 Y C 0.269 176.344 175.900 0.291 0.000 0.987 43 Y CA -0.413 57.777 58.100 0.151 0.000 1.140 43 Y CB 1.105 39.632 38.460 0.112 0.000 1.173 43 Y HN 1.038 nan 8.280 nan 0.000 0.486 50 A N 1.134 123.878 122.820 -0.128 0.000 1.948 50 A HA -0.195 4.122 4.320 -0.005 0.000 0.220 50 A C 1.501 178.948 177.584 -0.228 0.000 1.177 50 A CA 1.983 53.925 52.037 -0.158 0.000 0.636 50 A CB -0.663 18.199 19.000 -0.230 0.000 0.815 50 A HN 0.788 nan 8.150 nan 0.000 0.449 51 E N -0.314 119.683 120.200 -0.338 0.000 2.418 51 E HA 0.019 4.366 4.350 -0.005 0.000 0.197 51 E C 1.454 177.997 176.600 -0.095 0.000 1.026 51 E CA 0.853 57.086 56.400 -0.279 0.000 0.862 51 E CB 0.048 29.591 29.700 -0.262 0.000 0.799 51 E HN 0.459 nan 8.360 nan 0.000 0.518 52 S N -0.266 115.406 115.700 -0.048 0.000 2.554 52 S HA 0.150 4.617 4.470 -0.005 0.000 0.226 52 S C 0.340 175.017 174.600 0.129 0.000 0.980 52 S CA -0.399 57.867 58.200 0.109 0.000 0.939 52 S CB 0.256 63.543 63.200 0.144 0.000 0.832 52 S HN 0.093 nan 8.310 nan 0.000 0.486 53 R N 1.046 121.496 120.500 -0.084 0.000 2.312 53 R HA 0.450 4.787 4.340 -0.005 0.000 0.311 53 R C -1.722 174.460 176.300 -0.197 0.000 1.004 53 R CA -0.183 55.920 56.100 0.004 0.000 0.902 53 R CB 0.534 30.844 30.300 0.017 0.000 1.073 53 R HN 0.118 nan 8.270 nan 0.000 0.457 54 Y N 1.686 122.108 120.300 0.203 0.000 2.545 54 Y HA 0.322 4.870 4.550 -0.004 0.000 0.348 54 Y C -0.113 175.815 175.900 0.047 0.000 1.002 54 Y CA -0.992 57.177 58.100 0.115 0.000 1.039 54 Y CB 1.819 40.316 38.460 0.062 0.000 1.271 54 Y HN 0.166 nan 8.280 nan 0.000 0.467 55 V N 4.295 124.294 119.914 0.141 0.000 2.614 55 V HA 0.321 4.438 4.120 -0.005 0.000 0.291 55 V C -0.201 175.899 176.094 0.009 0.000 1.049 55 V CA -0.316 62.017 62.300 0.055 0.000 1.038 55 V CB 0.628 32.466 31.823 0.026 0.000 0.980 55 V HN 0.601 nan 8.190 nan 0.000 0.481 56 L N 3.249 124.465 121.223 -0.012 0.000 2.323 56 L HA 1.045 5.382 4.340 -0.005 0.000 0.265 56 L C -0.419 176.433 176.870 -0.031 0.000 1.012 56 L CA -0.193 54.624 54.840 -0.037 0.000 0.820 56 L CB 2.409 44.391 42.059 -0.128 0.000 1.334 56 L HN 0.545 nan 8.230 nan 0.000 0.427 57 T N 0.096 114.659 114.554 0.015 0.000 3.012 57 T HA 0.812 5.158 4.350 -0.005 0.000 0.330 57 T C -0.643 174.118 174.700 0.101 0.000 1.321 57 T CA 0.155 62.273 62.100 0.030 0.000 1.067 57 T CB 1.270 70.151 68.868 0.022 0.000 1.235 57 T HN 1.373 nan 8.240 nan 0.000 0.479 58 G N 2.717 111.581 108.800 0.106 0.000 2.634 58 G HA2 0.745 4.702 3.960 -0.005 0.000 0.309 58 G HA3 0.745 4.702 3.960 -0.005 0.000 0.309 58 G C -1.950 173.034 174.900 0.141 0.000 1.299 58 G CA -0.800 44.397 45.100 0.161 0.000 0.798 58 G HN 0.723 nan 8.290 nan 0.000 0.490 59 R N -1.029 119.572 120.500 0.168 0.000 2.771 59 R HA 0.581 4.917 4.340 -0.005 0.000 0.274 59 R C -1.659 174.789 176.300 0.246 0.000 0.987 59 R CA -0.678 55.520 56.100 0.164 0.000 0.908 59 R CB 1.939 32.282 30.300 0.072 0.000 1.213 59 R HN 0.854 nan 8.270 nan 0.000 0.468 60 Y N -2.080 118.243 120.300 0.040 0.000 2.588 60 Y HA 0.422 4.969 4.550 -0.006 0.000 0.343 60 Y C -0.828 175.092 175.900 0.034 0.000 1.065 60 Y CA -1.654 56.472 58.100 0.043 0.000 1.038 60 Y CB 1.113 39.590 38.460 0.028 0.000 1.297 60 Y HN 0.449 nan 8.280 nan 0.000 0.467 61 D N 1.455 121.837 120.400 -0.030 0.000 2.346 61 D HA 0.125 4.762 4.640 -0.005 0.000 0.260 61 D C 0.707 176.895 176.300 -0.187 0.000 1.252 61 D CA 0.521 54.452 54.000 -0.115 0.000 0.895 61 D CB 0.972 41.785 40.800 0.022 0.000 1.097 61 D HN 0.689 nan 8.370 nan 0.000 0.489 62 S N 2.362 117.829 115.700 -0.389 0.000 2.603 62 S HA 0.214 4.681 4.470 -0.005 0.000 0.220 62 S C 0.848 175.418 174.600 -0.050 0.000 0.967 62 S CA -0.057 57.969 58.200 -0.290 0.000 0.920 62 S CB 0.349 63.327 63.200 -0.370 0.000 0.773 62 S HN 0.467 nan 8.310 nan 0.000 0.529 63 A N 2.501 125.302 122.820 -0.032 0.000 3.370 63 A HA 0.582 4.899 4.320 -0.005 0.000 0.295 63 A C -2.687 174.915 177.584 0.029 0.000 1.030 63 A CA -1.210 50.832 52.037 0.009 0.000 0.883 63 A CB 0.435 19.431 19.000 -0.007 0.000 1.191 63 A HN 0.365 nan 8.150 nan 0.000 0.507 64 P HA 0.477 nan 4.420 nan 0.000 0.276 64 P C 0.373 177.709 177.300 0.061 0.000 1.261 64 P CA -0.088 63.055 63.100 0.072 0.000 0.800 64 P CB 0.908 32.678 31.700 0.117 0.000 1.066 65 A N 0.872 123.725 122.820 0.055 0.000 2.448 65 A HA 0.294 4.611 4.320 -0.005 0.000 0.239 65 A C 1.125 178.740 177.584 0.051 0.000 1.080 65 A CA 0.431 52.496 52.037 0.046 0.000 0.779 65 A CB -0.677 18.347 19.000 0.039 0.000 1.026 65 A HN 0.631 nan 8.150 nan 0.000 0.499 66 T N -1.634 112.945 114.554 0.042 0.000 3.134 66 T HA 0.146 4.492 4.350 -0.005 0.000 0.260 66 T C 0.221 174.943 174.700 0.036 0.000 1.027 66 T CA 0.477 62.603 62.100 0.043 0.000 0.913 66 T CB -0.197 68.694 68.868 0.038 0.000 1.046 66 T HN 0.720 nan 8.240 nan 0.000 0.553 67 D N 1.206 121.626 120.400 0.033 0.000 2.336 67 D HA 0.242 4.879 4.640 -0.005 0.000 0.229 67 D C 1.667 177.983 176.300 0.027 0.000 1.061 67 D CA 0.374 54.390 54.000 0.027 0.000 0.875 67 D CB -0.674 40.141 40.800 0.025 0.000 0.904 67 D HN 0.482 nan 8.370 nan 0.000 0.525 68 G N -0.605 108.214 108.800 0.032 0.000 2.175 68 G HA2 -0.265 3.691 3.960 -0.005 0.000 0.244 68 G HA3 -0.265 3.691 3.960 -0.005 0.000 0.244 68 G C 0.367 175.283 174.900 0.027 0.000 0.982 68 G CA 0.163 45.280 45.100 0.027 0.000 0.641 68 G HN 0.427 nan 8.290 nan 0.000 0.527 69 S N 0.321 116.041 115.700 0.035 0.000 2.593 69 S HA 0.592 5.058 4.470 -0.005 0.000 0.269 69 S C 1.160 175.789 174.600 0.049 0.000 1.334 69 S CA 0.078 58.300 58.200 0.037 0.000 1.015 69 S CB 1.405 64.630 63.200 0.040 0.000 0.912 69 S HN 1.238 nan 8.310 nan 0.000 0.541 70 G N 0.353 109.182 108.800 0.049 0.000 2.621 70 G HA2 0.429 4.386 3.960 -0.005 0.000 0.271 70 G HA3 0.429 4.386 3.960 -0.005 0.000 0.271 70 G C -0.715 174.259 174.900 0.123 0.000 1.236 70 G CA -0.526 44.615 45.100 0.067 0.000 0.958 70 G HN 0.573 nan 8.290 nan 0.000 0.512 71 T N 0.933 115.606 114.554 0.199 0.000 2.781 71 T HA 0.538 4.885 4.350 -0.005 0.000 0.305 71 T C 0.596 175.430 174.700 0.223 0.000 1.001 71 T CA -0.019 62.228 62.100 0.245 0.000 0.950 71 T CB 0.884 69.975 68.868 0.371 0.000 0.955 71 T HN 0.803 nan 8.240 nan 0.000 0.471 72 A N 4.173 127.093 122.820 0.166 0.000 2.477 72 A HA 0.616 4.932 4.320 -0.005 0.000 0.246 72 A C -0.105 177.588 177.584 0.182 0.000 1.078 72 A CA -0.187 51.936 52.037 0.143 0.000 0.770 72 A CB -0.373 18.684 19.000 0.096 0.000 1.011 72 A HN 0.836 nan 8.150 nan 0.000 0.494 73 L N -0.606 120.725 121.223 0.180 0.000 2.671 73 L HA 1.020 5.357 4.340 -0.005 0.000 0.259 73 L C -0.168 176.810 176.870 0.179 0.000 1.021 73 L CA -0.028 54.945 54.840 0.221 0.000 0.871 73 L CB 1.342 43.563 42.059 0.270 0.000 1.472 73 L HN 1.165 nan 8.230 nan 0.000 0.410 74 G N -1.051 107.875 108.800 0.209 0.000 2.646 74 G HA2 0.687 4.644 3.960 -0.005 0.000 0.291 74 G HA3 0.687 4.644 3.960 -0.005 0.000 0.291 74 G C -2.488 172.576 174.900 0.273 0.000 1.445 74 G CA -0.116 45.064 45.100 0.134 0.000 0.814 74 G HN 1.487 nan 8.290 nan 0.000 0.495 75 W N -0.565 120.761 121.300 0.044 0.000 3.066 75 W HA 0.804 5.462 4.660 -0.003 0.000 0.330 75 W C -1.179 175.403 176.519 0.104 0.000 1.253 75 W CA -1.220 56.124 57.345 -0.001 0.000 1.187 75 W CB 0.998 30.358 29.460 -0.167 0.000 1.434 75 W HN 0.629 nan 8.180 nan 0.000 0.572 76 T N 1.703 116.428 114.554 0.286 0.000 2.900 76 T HA 0.640 4.987 4.350 -0.005 0.000 0.295 76 T C -1.557 173.215 174.700 0.120 0.000 1.044 76 T CA -0.688 61.498 62.100 0.144 0.000 0.995 76 T CB 1.893 70.777 68.868 0.027 0.000 1.072 76 T HN 0.477 nan 8.240 nan 0.000 0.473 77 V N 1.933 121.823 119.914 -0.040 0.000 2.525 77 V HA 0.729 4.846 4.120 -0.005 0.000 0.299 77 V C -0.004 175.684 176.094 -0.676 0.000 1.034 77 V CA -1.039 61.017 62.300 -0.407 0.000 0.863 77 V CB 1.488 32.837 31.823 -0.790 0.000 0.999 77 V HN 1.129 nan 8.190 nan 0.000 0.423 78 A N 3.927 126.465 122.820 -0.471 0.000 2.328 78 A HA 0.599 4.916 4.320 -0.005 0.000 0.284 78 A C -0.617 176.712 177.584 -0.426 0.000 1.160 78 A CA -0.351 51.463 52.037 -0.372 0.000 0.818 78 A CB 0.238 19.160 19.000 -0.130 0.000 1.087 78 A HN 0.918 nan 8.150 nan 0.000 0.504 79 W N 2.653 123.905 121.300 -0.080 0.000 1.603 79 W HA 0.388 5.044 4.660 -0.006 0.000 0.392 79 W C 0.665 177.263 176.519 0.132 0.000 0.661 79 W CA -0.079 57.177 57.345 -0.147 0.000 2.021 79 W CB 0.254 29.535 29.460 -0.300 0.000 1.759 79 W HN 0.592 nan 8.180 nan 0.000 0.334 80 K N 2.958 123.589 120.400 0.385 0.000 2.507 80 K HA 0.249 4.566 4.320 -0.005 0.000 0.251 80 K C -0.604 176.142 176.600 0.244 0.000 0.943 80 K CA -0.479 55.973 56.287 0.275 0.000 0.794 80 K CB 1.044 33.604 32.500 0.099 0.000 1.188 80 K HN 0.257 nan 8.250 nan 0.000 0.428 81 N N 1.385 120.150 118.700 0.108 0.000 3.283 81 N HA 0.193 4.929 4.740 -0.005 0.000 0.338 81 N C 0.018 175.454 175.510 -0.124 0.000 1.517 81 N CA -0.694 52.327 53.050 -0.049 0.000 0.733 81 N CB -0.185 38.181 38.487 -0.201 0.000 1.797 81 N HN 0.488 nan 8.380 nan 0.000 0.637 82 N N -1.399 117.113 118.700 -0.313 0.000 2.519 82 N HA -0.070 4.667 4.740 -0.005 0.000 0.186 82 N C 0.014 175.047 175.510 -0.795 0.000 1.062 82 N CA 1.326 53.989 53.050 -0.644 0.000 0.910 82 N CB -0.406 37.512 38.487 -0.948 0.000 0.958 82 N HN 0.511 nan 8.380 nan 0.000 0.445 83 Y N -1.340 118.940 120.300 -0.034 0.000 2.423 83 Y HA 0.412 4.959 4.550 -0.006 0.000 0.257 83 Y C 0.697 176.600 175.900 0.004 0.000 1.087 83 Y CA -0.557 57.533 58.100 -0.017 0.000 1.258 83 Y CB 0.752 39.196 38.460 -0.027 0.000 1.237 83 Y HN -0.181 nan 8.280 nan 0.000 0.517 84 R N 0.970 121.551 120.500 0.134 0.000 2.643 84 R HA 0.369 4.706 4.340 -0.005 0.000 0.269 84 R C -2.010 174.354 176.300 0.106 0.000 1.037 84 R CA -0.665 55.516 56.100 0.134 0.000 0.894 84 R CB 1.643 32.065 30.300 0.202 0.000 1.238 84 R HN -0.003 nan 8.270 nan 0.000 0.459 85 N N 1.485 120.200 118.700 0.025 0.000 2.533 85 N HA 0.292 5.029 4.740 -0.005 0.000 0.289 85 N C -0.799 174.576 175.510 -0.225 0.000 1.103 85 N CA -0.136 52.852 53.050 -0.103 0.000 0.877 85 N CB 2.096 40.432 38.487 -0.252 0.000 1.419 85 N HN 0.669 nan 8.380 nan 0.000 0.517 86 A N 2.218 125.007 122.820 -0.051 0.000 2.275 86 A HA 0.145 4.461 4.320 -0.005 0.000 0.212 86 A C 0.058 177.658 177.584 0.026 0.000 1.201 86 A CA 0.116 52.143 52.037 -0.018 0.000 0.843 86 A CB -0.537 18.488 19.000 0.041 0.000 0.873 86 A HN 0.798 nan 8.150 nan 0.000 0.492 87 H N 0.390 119.523 119.070 0.105 0.000 2.677 87 H HA -0.151 4.401 4.556 -0.006 0.000 0.321 87 H C 0.028 175.395 175.328 0.065 0.000 1.171 87 H CA 0.893 56.982 56.048 0.068 0.000 1.139 87 H CB -2.116 27.671 29.762 0.041 0.000 1.515 87 H HN 0.822 nan 8.280 nan 0.000 0.423 88 S N -1.922 113.887 115.700 0.182 0.000 2.587 88 S HA 0.887 5.354 4.470 -0.005 0.000 0.269 88 S C -0.845 173.868 174.600 0.188 0.000 1.154 88 S CA -0.529 57.774 58.200 0.171 0.000 0.824 88 S CB 2.808 66.104 63.200 0.160 0.000 1.118 88 S HN 0.958 nan 8.310 nan 0.000 0.462 89 A N 0.642 123.528 122.820 0.109 0.000 2.488 89 A HA 0.822 5.138 4.320 -0.005 0.000 0.298 89 A C -0.666 176.882 177.584 -0.061 0.000 1.044 89 A CA -0.650 51.352 52.037 -0.057 0.000 0.693 89 A CB 1.787 20.736 19.000 -0.085 0.000 1.272 89 A HN 0.805 nan 8.150 nan 0.000 0.402 90 T N 2.195 116.638 114.554 -0.183 0.000 2.797 90 T HA 0.676 5.023 4.350 -0.005 0.000 0.279 90 T C 0.101 174.507 174.700 -0.490 0.000 0.991 90 T CA 0.038 61.906 62.100 -0.387 0.000 0.979 90 T CB 1.166 69.608 68.868 -0.711 0.000 0.943 90 T HN 1.015 nan 8.240 nan 0.000 0.444 91 T N 0.770 115.072 114.554 -0.420 0.000 2.855 91 T HA 0.621 4.968 4.350 -0.005 0.000 0.281 91 T C -0.842 173.592 174.700 -0.442 0.000 1.007 91 T CA -0.879 61.035 62.100 -0.310 0.000 1.009 91 T CB 1.087 69.858 68.868 -0.162 0.000 0.983 91 T HN 0.534 nan 8.240 nan 0.000 0.455 92 W N 1.726 122.697 121.300 -0.548 0.000 2.475 92 W HA 0.562 5.222 4.660 -0.000 0.000 0.317 92 W C -0.021 176.172 176.519 -0.544 0.000 1.046 92 W CA -0.883 56.071 57.345 -0.652 0.000 1.215 92 W CB 2.136 30.763 29.460 -1.387 0.000 1.335 92 W HN 0.687 nan 8.180 nan 0.000 0.471 93 S N 2.010 117.654 115.700 -0.094 0.000 2.519 93 S HA 0.865 5.332 4.470 -0.005 0.000 0.309 93 S C -0.098 174.512 174.600 0.016 0.000 1.100 93 S CA -0.071 58.102 58.200 -0.045 0.000 1.059 93 S CB 1.227 64.407 63.200 -0.033 0.000 1.008 93 S HN 0.743 nan 8.310 nan 0.000 0.478 94 G N 3.110 111.942 108.800 0.053 0.000 2.500 94 G HA2 0.521 4.478 3.960 -0.005 0.000 0.299 94 G HA3 0.521 4.478 3.960 -0.005 0.000 0.299 94 G C -2.253 172.723 174.900 0.127 0.000 1.242 94 G CA -0.749 44.411 45.100 0.099 0.000 0.859 94 G HN 0.677 nan 8.290 nan 0.000 0.481 95 Q N -0.943 118.942 119.800 0.143 0.000 2.389 95 Q HA 0.542 4.878 4.340 -0.005 0.000 0.277 95 Q C -1.809 174.299 176.000 0.179 0.000 1.082 95 Q CA -0.952 54.944 55.803 0.154 0.000 0.810 95 Q CB 3.061 31.865 28.738 0.110 0.000 1.374 95 Q HN 0.656 nan 8.270 nan 0.000 0.422 96 Y N 1.071 121.414 120.300 0.071 0.000 2.313 96 Y HA 0.533 5.080 4.550 -0.006 0.000 0.332 96 Y C -1.284 174.666 175.900 0.082 0.000 1.071 96 Y CA -0.654 57.472 58.100 0.044 0.000 1.169 96 Y CB 1.051 39.520 38.460 0.015 0.000 1.192 96 Y HN 0.433 nan 8.280 nan 0.000 0.487 97 V N 7.348 126.894 119.914 -0.613 0.000 2.444 97 V HA 0.535 4.652 4.120 -0.005 0.000 0.294 97 V C 0.690 176.320 176.094 -0.775 0.000 1.022 97 V CA -0.429 61.535 62.300 -0.560 0.000 0.850 97 V CB 0.874 32.583 31.823 -0.189 0.000 0.992 97 V HN 1.094 nan 8.190 nan 0.000 0.426 98 G N 2.582 110.971 108.800 -0.684 0.000 2.525 98 G HA2 0.648 4.604 3.960 -0.005 0.000 0.276 98 G HA3 0.648 4.604 3.960 -0.005 0.000 0.276 98 G C 0.431 175.292 174.900 -0.066 0.000 1.388 98 G CA 0.398 45.336 45.100 -0.269 0.000 1.050 98 G HN 1.682 nan 8.290 nan 0.000 0.520 99 G N -2.346 106.474 108.800 0.034 0.000 2.526 99 G HA2 0.343 4.300 3.960 -0.005 0.000 0.250 99 G HA3 0.343 4.300 3.960 -0.005 0.000 0.250 99 G C 0.971 175.897 174.900 0.043 0.000 1.289 99 G CA 0.707 45.827 45.100 0.032 0.000 0.947 99 G HN 1.681 nan 8.290 nan 0.000 0.517 100 A N -0.174 122.665 122.820 0.031 0.000 1.841 100 A HA 0.299 4.616 4.320 -0.005 0.000 0.214 100 A C 1.619 179.226 177.584 0.038 0.000 1.195 100 A CA 2.326 54.380 52.037 0.029 0.000 0.611 100 A CB -0.537 18.475 19.000 0.019 0.000 0.835 100 A HN 1.732 nan 8.150 nan 0.000 0.443 101 E N 0.910 121.135 120.200 0.043 0.000 1.999 101 E HA 0.439 4.786 4.350 -0.005 0.000 0.296 101 E C -0.071 176.585 176.600 0.093 0.000 1.187 101 E CA 0.042 56.481 56.400 0.065 0.000 1.229 101 E CB -0.487 29.248 29.700 0.058 0.000 1.131 101 E HN 0.468 nan 8.360 nan 0.000 0.478 102 A N 4.489 127.385 122.820 0.128 0.000 2.492 102 A HA 0.320 4.636 4.320 -0.005 0.000 0.254 102 A C -0.111 177.713 177.584 0.400 0.000 1.091 102 A CA -0.046 52.127 52.037 0.226 0.000 0.768 102 A CB 0.311 19.522 19.000 0.351 0.000 1.028 102 A HN 0.689 nan 8.150 nan 0.000 0.498 103 R N 1.484 122.167 120.500 0.305 0.000 2.686 103 R HA 0.593 4.929 4.340 -0.005 0.000 0.283 103 R C -1.285 175.132 176.300 0.195 0.000 0.978 103 R CA -0.470 55.823 56.100 0.321 0.000 0.897 103 R CB 2.140 32.544 30.300 0.173 0.000 1.192 103 R HN 0.707 nan 8.270 nan 0.000 0.457 104 I N 2.790 123.467 120.570 0.177 0.000 2.355 104 I HA 0.268 4.435 4.170 -0.005 0.000 0.288 104 I C -0.607 175.684 176.117 0.291 0.000 0.999 104 I CA -0.805 60.580 61.300 0.142 0.000 1.163 104 I CB 1.430 39.413 38.000 -0.028 0.000 1.316 104 I HN 0.390 nan 8.210 nan 0.000 0.454 105 N N 5.188 124.021 118.700 0.222 0.000 2.422 105 N HA 0.412 5.149 4.740 -0.005 0.000 0.266 105 N C -0.326 175.321 175.510 0.230 0.000 1.007 105 N CA -0.226 52.953 53.050 0.214 0.000 0.941 105 N CB 1.881 40.449 38.487 0.135 0.000 1.115 105 N HN 0.624 nan 8.380 nan 0.000 0.492 106 T N -1.107 113.619 114.554 0.287 0.000 2.906 106 T HA 0.467 4.813 4.350 -0.005 0.000 0.295 106 T C -0.534 174.313 174.700 0.246 0.000 1.075 106 T CA -0.899 61.362 62.100 0.268 0.000 1.005 106 T CB 2.192 71.284 68.868 0.372 0.000 1.136 106 T HN 0.231 nan 8.240 nan 0.000 0.498 107 Q N 0.642 120.527 119.800 0.142 0.000 2.301 107 Q HA 0.660 4.997 4.340 -0.005 0.000 0.267 107 Q C -1.258 174.742 176.000 -0.000 0.000 1.035 107 Q CA -0.872 54.956 55.803 0.043 0.000 0.856 107 Q CB 2.197 30.912 28.738 -0.038 0.000 1.337 107 Q HN 0.771 nan 8.270 nan 0.000 0.450 108 F N -0.809 119.052 119.950 -0.148 0.000 2.598 108 F HA 0.768 5.292 4.527 -0.005 0.000 0.327 108 F C -1.435 174.188 175.800 -0.296 0.000 1.057 108 F CA -1.298 56.473 58.000 -0.382 0.000 0.957 108 F CB 1.012 39.568 39.000 -0.740 0.000 1.278 108 F HN 0.270 nan 8.300 nan 0.000 0.484 109 L N 2.943 124.112 121.223 -0.089 0.000 2.381 109 L HA 0.505 4.842 4.340 -0.005 0.000 0.274 109 L C -1.468 175.373 176.870 -0.048 0.000 0.988 109 L CA -0.955 53.839 54.840 -0.078 0.000 0.824 109 L CB 1.982 43.977 42.059 -0.107 0.000 1.263 109 L HN 0.684 nan 8.230 nan 0.000 0.410 110 L N 3.235 124.471 121.223 0.022 0.000 2.295 110 L HA 0.567 4.904 4.340 -0.005 0.000 0.281 110 L C -0.406 176.448 176.870 -0.028 0.000 1.018 110 L CA 0.265 55.094 54.840 -0.020 0.000 0.841 110 L CB 1.456 43.511 42.059 -0.006 0.000 1.218 110 L HN 0.462 nan 8.230 nan 0.000 0.424 111 T N 3.077 117.613 114.554 -0.031 0.000 2.795 111 T HA 0.558 4.905 4.350 -0.005 0.000 0.282 111 T C -0.035 174.661 174.700 -0.006 0.000 0.980 111 T CA -0.377 61.706 62.100 -0.029 0.000 1.012 111 T CB 1.100 69.949 68.868 -0.032 0.000 0.936 111 T HN 0.649 nan 8.240 nan 0.000 0.457 112 S N 1.515 117.203 115.700 -0.020 0.000 2.525 112 S HA 0.600 5.066 4.470 -0.005 0.000 0.290 112 S C 0.771 175.368 174.600 -0.004 0.000 1.152 112 S CA -0.913 57.287 58.200 -0.000 0.000 1.072 112 S CB 1.350 64.536 63.200 -0.024 0.000 1.027 112 S HN 0.910 nan 8.310 nan 0.000 0.500 113 G N 2.330 111.144 108.800 0.023 0.000 2.334 113 G HA2 0.419 4.376 3.960 -0.005 0.000 0.261 113 G HA3 0.419 4.376 3.960 -0.005 0.000 0.261 113 G C 0.269 175.154 174.900 -0.025 0.000 1.257 113 G CA -0.182 44.917 45.100 -0.001 0.000 0.935 113 G HN 0.694 nan 8.290 nan 0.000 0.480 114 T N -0.714 113.819 114.554 -0.035 0.000 2.807 114 T HA 0.768 5.114 4.350 -0.005 0.000 0.277 114 T C 0.613 175.297 174.700 -0.026 0.000 1.006 114 T CA -0.215 61.860 62.100 -0.041 0.000 1.006 114 T CB 1.428 70.258 68.868 -0.063 0.000 1.274 114 T HN 0.670 nan 8.240 nan 0.000 0.569 115 T N -1.146 113.399 114.554 -0.014 0.000 2.849 115 T HA 0.376 4.723 4.350 -0.005 0.000 0.284 115 T C 1.062 175.775 174.700 0.022 0.000 1.004 115 T CA -0.563 61.538 62.100 0.003 0.000 1.021 115 T CB 0.676 69.551 68.868 0.012 0.000 1.013 115 T HN 0.695 nan 8.240 nan 0.000 0.527 116 E N 0.709 120.926 120.200 0.029 0.000 2.097 116 E HA -0.160 4.187 4.350 -0.005 0.000 0.196 116 E C 2.438 179.090 176.600 0.086 0.000 1.000 116 E CA 1.543 57.971 56.400 0.046 0.000 0.804 116 E CB -0.584 29.137 29.700 0.035 0.000 0.740 116 E HN 0.787 nan 8.360 nan 0.000 0.454 117 A N 1.264 124.136 122.820 0.088 0.000 1.948 117 A HA -0.200 4.116 4.320 -0.005 0.000 0.220 117 A C 1.570 179.312 177.584 0.263 0.000 1.177 117 A CA 1.625 53.742 52.037 0.134 0.000 0.636 117 A CB -0.255 18.805 19.000 0.101 0.000 0.815 117 A HN 0.174 nan 8.150 nan 0.000 0.449 118 N N -0.675 118.133 118.700 0.180 0.000 2.214 118 N HA 0.279 5.015 4.740 -0.005 0.000 0.214 118 N C 1.290 176.745 175.510 -0.092 0.000 1.132 118 N CA 0.718 53.833 53.050 0.108 0.000 0.856 118 N CB 0.257 38.732 38.487 -0.020 0.000 1.020 118 N HN 0.437 nan 8.380 nan 0.000 0.509 119 A N 1.359 124.216 122.820 0.063 0.000 2.024 119 A HA -0.141 4.176 4.320 -0.005 0.000 0.220 119 A C 1.881 179.458 177.584 -0.011 0.000 1.164 119 A CA 0.854 52.897 52.037 0.009 0.000 0.643 119 A CB -0.915 18.120 19.000 0.059 0.000 0.806 119 A HN 0.631 nan 8.150 nan 0.000 0.451 120 W N 1.072 122.366 121.300 -0.010 0.000 2.468 120 W HA -0.093 4.562 4.660 -0.007 0.000 0.262 120 W C 0.734 177.245 176.519 -0.012 0.000 1.241 120 W CA 1.197 58.535 57.345 -0.011 0.000 1.232 120 W CB -0.550 28.904 29.460 -0.011 0.000 1.124 120 W HN 0.532 nan 8.180 nan 0.000 0.597 121 K N 1.032 120.870 120.400 -0.936 0.000 2.618 121 K HA 0.268 4.585 4.320 -0.005 0.000 0.207 121 K C 1.215 177.545 176.600 -0.450 0.000 1.058 121 K CA 0.560 56.319 56.287 -0.881 0.000 1.086 121 K CB -0.016 31.605 32.500 -1.464 0.000 0.827 121 K HN -0.042 nan 8.250 nan 0.000 0.481 122 S N -0.479 115.052 115.700 -0.281 0.000 2.501 122 S HA 0.028 4.494 4.470 -0.005 0.000 0.220 122 S C 0.410 174.940 174.600 -0.116 0.000 0.997 122 S CA -0.050 58.049 58.200 -0.169 0.000 0.919 122 S CB -0.035 63.100 63.200 -0.108 0.000 0.778 122 S HN 0.175 nan 8.310 nan 0.000 0.523 123 T N 2.682 117.170 114.554 -0.110 0.000 2.847 123 T HA 0.562 4.909 4.350 -0.005 0.000 0.291 123 T C -0.679 173.975 174.700 -0.076 0.000 0.998 123 T CA -0.577 61.477 62.100 -0.077 0.000 0.967 123 T CB 1.404 70.235 68.868 -0.061 0.000 0.954 123 T HN 0.196 nan 8.240 nan 0.000 0.441 124 L N 2.939 124.128 121.223 -0.057 0.000 2.357 124 L HA 0.774 5.111 4.340 -0.005 0.000 0.273 124 L C -0.049 176.764 176.870 -0.094 0.000 1.080 124 L CA -0.965 53.846 54.840 -0.048 0.000 0.803 124 L CB 1.455 43.521 42.059 0.012 0.000 1.174 124 L HN 0.329 nan 8.230 nan 0.000 0.443 125 V N 1.740 121.542 119.914 -0.186 0.000 2.735 125 V HA 0.991 5.107 4.120 -0.005 0.000 0.310 125 V C -0.167 175.564 176.094 -0.605 0.000 1.061 125 V CA 0.121 62.194 62.300 -0.378 0.000 0.913 125 V CB 1.807 33.480 31.823 -0.249 0.000 1.005 125 V HN 0.877 nan 8.190 nan 0.000 0.428 126 G N 3.871 111.939 108.800 -1.220 0.000 2.548 126 G HA2 0.643 4.600 3.960 -0.005 0.000 0.301 126 G HA3 0.643 4.600 3.960 -0.005 0.000 0.301 126 G C -1.692 172.639 174.900 -0.949 0.000 1.349 126 G CA -0.207 44.207 45.100 -1.143 0.000 0.792 126 G HN 1.518 nan 8.290 nan 0.000 0.481 127 H N -1.489 117.404 119.070 -0.296 0.000 2.865 127 H HA 0.863 5.414 4.556 -0.007 0.000 0.372 127 H C -1.695 173.801 175.328 0.280 0.000 1.173 127 H CA -0.925 55.135 56.048 0.020 0.000 1.147 127 H CB 2.995 32.753 29.762 -0.007 0.000 1.805 127 H HN 0.497 nan 8.280 nan 0.000 0.553 128 D N 0.119 120.748 120.400 0.382 0.000 2.655 128 D HA 0.374 5.010 4.640 -0.005 0.000 0.229 128 D C -1.179 175.209 176.300 0.147 0.000 1.229 128 D CA -0.382 53.752 54.000 0.223 0.000 0.807 128 D CB 2.807 43.769 40.800 0.269 0.000 1.514 128 D HN 0.705 nan 8.370 nan 0.000 0.444 129 T N 1.911 116.433 114.554 -0.055 0.000 2.824 129 T HA 0.591 4.938 4.350 -0.005 0.000 0.282 129 T C -0.811 173.795 174.700 -0.156 0.000 0.993 129 T CA -0.363 61.748 62.100 0.018 0.000 0.967 129 T CB 0.443 69.377 68.868 0.111 0.000 0.960 129 T HN 0.110 nan 8.240 nan 0.000 0.441 130 F N 2.134 122.277 119.950 0.321 0.000 2.495 130 F HA 0.641 5.165 4.527 -0.006 0.000 0.327 130 F C 0.951 177.075 175.800 0.541 0.000 1.103 130 F CA -0.702 57.542 58.000 0.406 0.000 0.949 130 F CB 2.121 41.370 39.000 0.415 0.000 1.142 130 F HN 0.536 nan 8.300 nan 0.000 0.457 131 T N -1.107 113.869 114.554 0.703 0.000 2.916 131 T HA 0.399 4.746 4.350 -0.005 0.000 0.292 131 T C 0.520 175.389 174.700 0.282 0.000 1.055 131 T CA -1.015 61.404 62.100 0.532 0.000 1.009 131 T CB 2.100 71.140 68.868 0.287 0.000 1.118 131 T HN 0.298 nan 8.240 nan 0.000 0.497 132 K N 0.376 120.714 120.400 -0.103 0.000 2.365 132 K HA 0.182 4.498 4.320 -0.005 0.000 0.199 132 K C 0.921 177.515 176.600 -0.010 0.000 1.045 132 K CA 0.421 56.493 56.287 -0.358 0.000 0.962 132 K CB -0.537 31.710 32.500 -0.423 0.000 0.759 132 K HN 0.623 nan 8.250 nan 0.000 0.469 133 V N 0.000 119.948 119.914 0.057 0.000 2.409 133 V HA 0.000 4.117 4.120 -0.005 0.000 0.244 133 V CA 0.000 62.287 62.300 -0.021 0.000 1.235 133 V CB 0.000 31.800 31.823 -0.038 0.000 1.184 133 V HN 0.000 nan 8.190 nan 0.000 0.556