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 1n7y_1_B DATA FIRST_RESID 16 DATA SEQUENCE GITGTWYEQL GSTFIVTAGA DGALTGTYEX XXXNAESRYV LTGRYDSAPA DATA SEQUENCE TDGSGTALGW TVAWKNNYRN AHSATTWSGQ YVGGAEARIN TQWLLTSGTT 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 3.906 3.960 -0.089 0.000 0.244 16 G C 0.000 174.807 174.900 -0.154 0.000 0.946 16 G CA 0.000 45.086 45.100 -0.024 0.000 0.502 17 I N 2.016 122.343 120.570 -0.405 0.000 2.406 17 I HA 0.059 4.175 4.170 -0.089 0.000 0.249 17 I C 1.268 177.386 176.117 0.002 0.000 1.122 17 I CA 0.857 61.997 61.300 -0.267 0.000 1.431 17 I CB -0.240 37.408 38.000 -0.586 0.000 1.087 17 I HN -0.004 nan 8.210 nan 0.000 0.424 18 T N 1.507 115.987 114.554 -0.123 0.000 2.940 18 T HA 0.400 4.696 4.350 -0.089 0.000 0.309 18 T C 0.328 174.959 174.700 -0.116 0.000 1.056 18 T CA 0.921 62.960 62.100 -0.102 0.000 1.137 18 T CB 0.775 69.578 68.868 -0.109 0.000 0.976 18 T HN 0.688 nan 8.240 nan 0.000 0.547 19 G N 2.253 110.965 108.800 -0.146 0.000 2.298 19 G HA2 0.108 4.015 3.960 -0.089 0.000 0.309 19 G HA3 0.108 4.015 3.960 -0.089 0.000 0.309 19 G C -0.787 173.905 174.900 -0.347 0.000 1.279 19 G CA -0.816 44.126 45.100 -0.263 0.000 1.042 19 G HN 0.756 nan 8.290 nan 0.000 0.480 20 T N 0.633 114.871 114.554 -0.526 0.000 2.794 20 T HA 0.620 4.916 4.350 -0.089 0.000 0.280 20 T C -1.087 173.037 174.700 -0.960 0.000 0.987 20 T CA 0.158 61.889 62.100 -0.615 0.000 0.993 20 T CB 0.992 69.570 68.868 -0.484 0.000 0.939 20 T HN 0.493 nan 8.240 nan 0.000 0.449 21 W N 1.963 122.691 121.300 -0.954 0.000 2.736 21 W HA 0.611 5.218 4.660 -0.088 0.000 0.335 21 W C -1.132 174.939 176.519 -0.747 0.000 1.059 21 W CA -0.963 55.892 57.345 -0.816 0.000 1.226 21 W CB 1.213 30.025 29.460 -1.080 0.000 1.416 21 W HN 0.586 nan 8.180 nan 0.000 0.505 22 Y N 1.459 121.900 120.300 0.236 0.000 2.364 22 Y HA 0.262 4.758 4.550 -0.090 0.000 0.340 22 Y C 0.468 176.512 175.900 0.240 0.000 0.975 22 Y CA -1.343 56.872 58.100 0.190 0.000 1.089 22 Y CB 1.472 39.975 38.460 0.072 0.000 1.192 22 Y HN 0.382 nan 8.280 nan 0.000 0.454 23 E N 2.537 122.893 120.200 0.260 0.000 2.283 23 E HA 0.121 4.418 4.350 -0.089 0.000 0.271 23 E C 0.329 176.931 176.600 0.004 0.000 1.031 23 E CA -0.557 55.764 56.400 -0.131 0.000 0.868 23 E CB 1.551 31.057 29.700 -0.324 0.000 1.094 23 E HN 0.834 nan 8.360 nan 0.000 0.401 24 Q N 1.599 121.376 119.800 -0.038 0.000 2.248 24 Q HA -0.126 4.161 4.340 -0.089 0.000 0.208 24 Q C 1.406 177.427 176.000 0.034 0.000 0.984 24 Q CA 1.396 57.212 55.803 0.022 0.000 0.875 24 Q CB 0.036 28.788 28.738 0.023 0.000 0.910 24 Q HN 0.650 nan 8.270 nan 0.000 0.433 25 L N -1.750 119.495 121.223 0.038 0.000 2.592 25 L HA 0.212 4.498 4.340 -0.089 0.000 0.227 25 L C 1.182 178.091 176.870 0.064 0.000 1.127 25 L CA 1.078 55.948 54.840 0.050 0.000 0.884 25 L CB 0.057 42.149 42.059 0.055 0.000 1.065 25 L HN 0.588 nan 8.230 nan 0.000 0.457 26 G N -0.320 108.529 108.800 0.082 0.000 2.284 26 G HA2 -0.269 3.638 3.960 -0.089 0.000 0.216 26 G HA3 -0.269 3.638 3.960 -0.089 0.000 0.216 26 G C 0.549 175.522 174.900 0.120 0.000 1.009 26 G CA 0.377 45.530 45.100 0.088 0.000 0.625 26 G HN 0.415 nan 8.290 nan 0.000 0.501 27 S N -0.023 115.758 115.700 0.136 0.000 2.624 27 S HA 0.727 5.144 4.470 -0.089 0.000 0.263 27 S C 0.013 174.658 174.600 0.076 0.000 1.287 27 S CA 1.240 59.506 58.200 0.110 0.000 0.990 27 S CB 1.795 65.100 63.200 0.175 0.000 0.950 27 S HN 0.807 nan 8.310 nan 0.000 0.561 28 T N 2.279 116.765 114.554 -0.114 0.000 2.933 28 T HA 0.594 4.891 4.350 -0.089 0.000 0.305 28 T C -1.500 173.031 174.700 -0.281 0.000 1.092 28 T CA -0.442 61.574 62.100 -0.140 0.000 1.008 28 T CB 0.942 69.785 68.868 -0.042 0.000 1.102 28 T HN 0.692 nan 8.240 nan 0.000 0.469 29 F N 2.372 122.097 119.950 -0.374 0.000 2.561 29 F HA 0.794 5.267 4.527 -0.089 0.000 0.313 29 F C -1.756 173.879 175.800 -0.275 0.000 1.126 29 F CA -1.465 56.315 58.000 -0.366 0.000 0.918 29 F CB 0.965 39.697 39.000 -0.446 0.000 1.199 29 F HN 0.387 nan 8.300 nan 0.000 0.444 30 I N 6.033 126.594 120.570 -0.015 0.000 2.339 30 I HA 0.544 4.660 4.170 -0.089 0.000 0.290 30 I C -0.539 175.575 176.117 -0.005 0.000 0.994 30 I CA -1.100 60.151 61.300 -0.082 0.000 1.191 30 I CB 1.583 39.532 38.000 -0.085 0.000 1.343 30 I HN 0.682 nan 8.210 nan 0.000 0.458 31 V N 2.116 122.016 119.914 -0.023 0.000 2.864 31 V HA 0.643 4.710 4.120 -0.089 0.000 0.314 31 V C -0.143 175.903 176.094 -0.080 0.000 1.073 31 V CA -0.484 61.788 62.300 -0.048 0.000 0.956 31 V CB 1.816 33.600 31.823 -0.064 0.000 1.023 31 V HN 0.664 nan 8.190 nan 0.000 0.435 32 T N 3.052 117.554 114.554 -0.087 0.000 2.770 32 T HA 0.717 5.014 4.350 -0.089 0.000 0.283 32 T C 0.071 174.712 174.700 -0.098 0.000 0.988 32 T CA 0.077 62.127 62.100 -0.083 0.000 0.957 32 T CB 1.260 70.096 68.868 -0.054 0.000 0.930 32 T HN 1.290 nan 8.240 nan 0.000 0.443 33 A N 3.257 125.989 122.820 -0.147 0.000 2.279 33 A HA 0.700 4.967 4.320 -0.089 0.000 0.306 33 A C 0.934 178.535 177.584 0.028 0.000 1.300 33 A CA -0.591 51.340 52.037 -0.176 0.000 0.925 33 A CB -0.008 18.628 19.000 -0.606 0.000 1.152 33 A HN 0.913 nan 8.150 nan 0.000 0.544 34 G N 0.522 109.405 108.800 0.138 0.000 2.651 34 G HA2 0.449 4.355 3.960 -0.089 0.000 0.260 34 G HA3 0.449 4.355 3.960 -0.089 0.000 0.260 34 G C 1.055 176.060 174.900 0.175 0.000 1.216 34 G CA 0.120 45.289 45.100 0.116 0.000 0.913 34 G HN 1.203 nan 8.290 nan 0.000 0.535 35 A N -0.872 122.004 122.820 0.094 0.000 2.016 35 A HA 0.117 4.383 4.320 -0.089 0.000 0.217 35 A C 1.378 178.976 177.584 0.023 0.000 1.162 35 A CA 1.521 53.602 52.037 0.074 0.000 0.662 35 A CB -0.030 18.994 19.000 0.041 0.000 0.812 35 A HN 0.523 nan 8.150 nan 0.000 0.450 36 D N -1.187 119.214 120.400 0.002 0.000 2.970 36 D HA 0.411 4.998 4.640 -0.089 0.000 0.282 36 D C 1.019 177.258 176.300 -0.102 0.000 1.291 36 D CA 0.559 54.527 54.000 -0.054 0.000 0.967 36 D CB -0.625 40.153 40.800 -0.037 0.000 1.017 36 D HN 0.410 nan 8.370 nan 0.000 0.512 37 G N 0.948 109.613 108.800 -0.224 0.000 2.168 37 G HA2 -0.239 3.667 3.960 -0.089 0.000 0.263 37 G HA3 -0.239 3.667 3.960 -0.089 0.000 0.263 37 G C 0.609 175.485 174.900 -0.040 0.000 0.977 37 G CA 0.183 44.975 45.100 -0.513 0.000 0.659 37 G HN 0.798 nan 8.290 nan 0.000 0.533 38 A N -0.409 122.481 122.820 0.116 0.000 2.371 38 A HA 0.732 4.998 4.320 -0.089 0.000 0.257 38 A C -0.165 177.548 177.584 0.215 0.000 1.089 38 A CA 0.036 52.157 52.037 0.139 0.000 0.794 38 A CB 0.822 19.864 19.000 0.069 0.000 1.029 38 A HN 0.884 nan 8.150 nan 0.000 0.488 39 L N 2.214 123.515 121.223 0.130 0.000 2.333 39 L HA 0.659 4.945 4.340 -0.089 0.000 0.280 39 L C 0.349 177.202 176.870 -0.028 0.000 1.004 39 L CA 0.368 55.222 54.840 0.024 0.000 0.820 39 L CB 1.751 43.816 42.059 0.011 0.000 1.247 39 L HN 0.927 nan 8.230 nan 0.000 0.416 40 T N 0.287 114.804 114.554 -0.062 0.000 2.909 40 T HA 0.994 5.291 4.350 -0.089 0.000 0.299 40 T C -0.253 174.395 174.700 -0.086 0.000 1.073 40 T CA -0.294 61.769 62.100 -0.062 0.000 0.999 40 T CB 2.239 71.089 68.868 -0.030 0.000 1.098 40 T HN 0.945 nan 8.240 nan 0.000 0.477 41 G N 0.851 109.603 108.800 -0.081 0.000 2.336 41 G HA2 0.575 4.482 3.960 -0.089 0.000 0.286 41 G HA3 0.575 4.482 3.960 -0.089 0.000 0.286 41 G C -0.950 173.926 174.900 -0.040 0.000 1.269 41 G CA -0.157 44.903 45.100 -0.068 0.000 0.873 41 G HN 1.503 nan 8.290 nan 0.000 0.494 42 T N -2.561 111.990 114.554 -0.005 0.000 2.900 42 T HA 0.690 4.987 4.350 -0.089 0.000 0.295 42 T C -1.485 173.295 174.700 0.133 0.000 1.044 42 T CA -0.613 61.523 62.100 0.059 0.000 0.995 42 T CB 2.375 71.276 68.868 0.055 0.000 1.072 42 T HN 0.891 nan 8.240 nan 0.000 0.473 43 Y N 1.285 121.631 120.300 0.078 0.000 2.377 43 Y HA 0.590 5.087 4.550 -0.088 0.000 0.339 43 Y C 0.060 176.139 175.900 0.298 0.000 1.011 43 Y CA -0.397 57.805 58.100 0.169 0.000 1.093 43 Y CB 1.578 40.124 38.460 0.143 0.000 1.201 43 Y HN 1.105 nan 8.280 nan 0.000 0.455 50 A N 1.355 124.107 122.820 -0.113 0.000 1.927 50 A HA -0.251 4.016 4.320 -0.089 0.000 0.220 50 A C 1.568 179.040 177.584 -0.187 0.000 1.185 50 A CA 2.328 54.281 52.037 -0.140 0.000 0.639 50 A CB -0.830 18.036 19.000 -0.223 0.000 0.820 50 A HN 0.815 nan 8.150 nan 0.000 0.451 51 E N 0.074 120.106 120.200 -0.280 0.000 2.333 51 E HA -0.079 4.217 4.350 -0.089 0.000 0.198 51 E C 1.759 178.295 176.600 -0.107 0.000 1.007 51 E CA 1.189 57.461 56.400 -0.214 0.000 0.845 51 E CB -0.127 29.456 29.700 -0.195 0.000 0.766 51 E HN 0.752 nan 8.360 nan 0.000 0.507 52 S N -0.437 115.215 115.700 -0.080 0.000 2.602 52 S HA 0.247 4.664 4.470 -0.089 0.000 0.240 52 S C 0.382 174.981 174.600 -0.001 0.000 0.992 52 S CA -0.666 57.550 58.200 0.026 0.000 0.971 52 S CB 0.347 63.630 63.200 0.138 0.000 0.855 52 S HN -0.074 nan 8.310 nan 0.000 0.481 53 R N 0.751 121.139 120.500 -0.187 0.000 2.474 53 R HA 0.606 4.893 4.340 -0.089 0.000 0.295 53 R C -1.609 174.533 176.300 -0.263 0.000 0.980 53 R CA -0.402 55.662 56.100 -0.059 0.000 0.934 53 R CB 1.044 31.340 30.300 -0.007 0.000 1.101 53 R HN 0.391 nan 8.270 nan 0.000 0.469 54 Y N -0.449 119.952 120.300 0.167 0.000 2.534 54 Y HA 0.224 4.722 4.550 -0.087 0.000 0.345 54 Y C -0.074 175.837 175.900 0.017 0.000 1.031 54 Y CA -0.991 57.157 58.100 0.081 0.000 1.022 54 Y CB 1.534 40.008 38.460 0.022 0.000 1.292 54 Y HN 0.161 nan 8.280 nan 0.000 0.459 55 V N 4.299 124.289 119.914 0.127 0.000 2.637 55 V HA 0.243 4.309 4.120 -0.089 0.000 0.296 55 V C -0.174 175.913 176.094 -0.010 0.000 1.046 55 V CA -0.226 62.098 62.300 0.041 0.000 1.066 55 V CB 0.521 32.353 31.823 0.016 0.000 0.968 55 V HN 0.578 nan 8.190 nan 0.000 0.483 56 L N 3.318 124.521 121.223 -0.035 0.000 2.342 56 L HA 0.998 5.284 4.340 -0.089 0.000 0.271 56 L C -0.370 176.467 176.870 -0.055 0.000 1.008 56 L CA -0.034 54.765 54.840 -0.068 0.000 0.818 56 L CB 2.327 44.274 42.059 -0.187 0.000 1.296 56 L HN 0.525 nan 8.230 nan 0.000 0.427 57 T N 0.998 115.550 114.554 -0.003 0.000 2.956 57 T HA 0.872 5.169 4.350 -0.089 0.000 0.312 57 T C -0.495 174.251 174.700 0.077 0.000 1.151 57 T CA 0.116 62.222 62.100 0.011 0.000 1.024 57 T CB 1.430 70.303 68.868 0.009 0.000 1.140 57 T HN 1.301 nan 8.240 nan 0.000 0.473 58 G N 2.705 111.552 108.800 0.079 0.000 2.561 58 G HA2 0.716 4.623 3.960 -0.089 0.000 0.310 58 G HA3 0.716 4.623 3.960 -0.089 0.000 0.310 58 G C -1.998 172.981 174.900 0.132 0.000 1.292 58 G CA -0.775 44.409 45.100 0.141 0.000 0.811 58 G HN 0.698 nan 8.290 nan 0.000 0.482 59 R N -1.109 119.491 120.500 0.166 0.000 2.774 59 R HA 0.616 4.902 4.340 -0.089 0.000 0.272 59 R C -1.677 174.770 176.300 0.246 0.000 1.000 59 R CA -0.681 55.515 56.100 0.160 0.000 0.906 59 R CB 1.840 32.179 30.300 0.066 0.000 1.227 59 R HN 0.915 nan 8.270 nan 0.000 0.468 60 Y N -2.212 118.109 120.300 0.036 0.000 2.597 60 Y HA 0.399 4.895 4.550 -0.090 0.000 0.340 60 Y C -0.947 174.973 175.900 0.032 0.000 1.097 60 Y CA -1.621 56.503 58.100 0.041 0.000 1.037 60 Y CB 1.093 39.568 38.460 0.024 0.000 1.305 60 Y HN 0.450 nan 8.280 nan 0.000 0.463 61 D N 1.668 122.052 120.400 -0.028 0.000 2.342 61 D HA 0.114 4.700 4.640 -0.089 0.000 0.260 61 D C 0.828 177.035 176.300 -0.155 0.000 1.278 61 D CA 0.626 54.565 54.000 -0.103 0.000 0.910 61 D CB 0.862 41.684 40.800 0.035 0.000 1.079 61 D HN 0.696 nan 8.370 nan 0.000 0.496 62 S N 2.369 117.835 115.700 -0.390 0.000 2.607 62 S HA 0.153 4.570 4.470 -0.089 0.000 0.224 62 S C 0.824 175.407 174.600 -0.029 0.000 0.969 62 S CA -0.019 58.032 58.200 -0.249 0.000 0.927 62 S CB 0.210 63.206 63.200 -0.339 0.000 0.772 62 S HN 0.452 nan 8.310 nan 0.000 0.533 63 A N 2.465 125.274 122.820 -0.018 0.000 3.266 63 A HA 0.588 4.855 4.320 -0.089 0.000 0.310 63 A C -2.676 174.932 177.584 0.040 0.000 1.066 63 A CA -1.288 50.761 52.037 0.021 0.000 0.839 63 A CB 0.484 19.486 19.000 0.002 0.000 1.192 63 A HN 0.376 nan 8.150 nan 0.000 0.496 64 P HA 0.451 nan 4.420 nan 0.000 0.274 64 P C 0.493 177.831 177.300 0.063 0.000 1.246 64 P CA -0.014 63.133 63.100 0.078 0.000 0.795 64 P CB 0.932 32.704 31.700 0.119 0.000 1.006 65 A N 1.324 124.177 122.820 0.055 0.000 2.387 65 A HA 0.311 4.578 4.320 -0.089 0.000 0.251 65 A C 1.013 178.628 177.584 0.051 0.000 1.113 65 A CA 0.659 52.723 52.037 0.045 0.000 0.794 65 A CB -0.731 18.293 19.000 0.039 0.000 1.069 65 A HN 0.641 nan 8.150 nan 0.000 0.506 66 T N -1.937 112.642 114.554 0.042 0.000 3.145 66 T HA 0.140 4.436 4.350 -0.089 0.000 0.281 66 T C 0.303 175.024 174.700 0.036 0.000 1.003 66 T CA 0.455 62.581 62.100 0.043 0.000 0.901 66 T CB -0.072 68.820 68.868 0.040 0.000 1.112 66 T HN 0.725 nan 8.240 nan 0.000 0.535 67 D N 1.913 122.333 120.400 0.032 0.000 2.371 67 D HA 0.145 4.732 4.640 -0.089 0.000 0.234 67 D C 1.695 178.011 176.300 0.026 0.000 1.049 67 D CA 0.661 54.677 54.000 0.027 0.000 0.907 67 D CB -0.837 39.978 40.800 0.025 0.000 0.891 67 D HN 0.569 nan 8.370 nan 0.000 0.531 68 G N -0.745 108.073 108.800 0.030 0.000 2.175 68 G HA2 -0.271 3.635 3.960 -0.089 0.000 0.244 68 G HA3 -0.271 3.635 3.960 -0.089 0.000 0.244 68 G C 0.402 175.318 174.900 0.026 0.000 0.982 68 G CA 0.187 45.303 45.100 0.026 0.000 0.641 68 G HN 0.449 nan 8.290 nan 0.000 0.527 69 S N 0.536 116.257 115.700 0.034 0.000 2.584 69 S HA 0.535 4.951 4.470 -0.089 0.000 0.270 69 S C 1.221 175.850 174.600 0.048 0.000 1.346 69 S CA 0.243 58.465 58.200 0.038 0.000 1.018 69 S CB 1.074 64.299 63.200 0.042 0.000 0.899 69 S HN 1.248 nan 8.310 nan 0.000 0.542 70 G N 0.806 109.636 108.800 0.049 0.000 2.616 70 G HA2 0.393 4.300 3.960 -0.089 0.000 0.268 70 G HA3 0.393 4.300 3.960 -0.089 0.000 0.268 70 G C -0.650 174.321 174.900 0.118 0.000 1.213 70 G CA -0.474 44.666 45.100 0.066 0.000 0.926 70 G HN 0.584 nan 8.290 nan 0.000 0.523 71 T N 0.891 115.558 114.554 0.188 0.000 2.753 71 T HA 0.533 4.830 4.350 -0.089 0.000 0.297 71 T C 0.594 175.426 174.700 0.220 0.000 0.981 71 T CA -0.020 62.222 62.100 0.237 0.000 0.956 71 T CB 1.047 70.131 68.868 0.360 0.000 0.936 71 T HN 0.809 nan 8.240 nan 0.000 0.463 72 A N 4.266 127.188 122.820 0.170 0.000 2.488 72 A HA 0.598 4.864 4.320 -0.089 0.000 0.249 72 A C -0.148 177.552 177.584 0.193 0.000 1.083 72 A CA -0.160 51.968 52.037 0.152 0.000 0.768 72 A CB -0.449 18.613 19.000 0.104 0.000 1.017 72 A HN 0.786 nan 8.150 nan 0.000 0.496 73 L N -0.190 121.150 121.223 0.195 0.000 2.630 73 L HA 1.037 5.324 4.340 -0.089 0.000 0.258 73 L C -0.036 176.958 176.870 0.206 0.000 1.072 73 L CA -0.110 54.871 54.840 0.234 0.000 0.885 73 L CB 1.076 43.299 42.059 0.274 0.000 1.502 73 L HN 1.115 nan 8.230 nan 0.000 0.406 74 G N -1.605 107.339 108.800 0.241 0.000 2.646 74 G HA2 0.681 4.588 3.960 -0.089 0.000 0.291 74 G HA3 0.681 4.588 3.960 -0.089 0.000 0.291 74 G C -2.525 172.570 174.900 0.324 0.000 1.445 74 G CA -0.091 45.125 45.100 0.194 0.000 0.814 74 G HN 1.452 nan 8.290 nan 0.000 0.495 75 W N -0.712 120.606 121.300 0.029 0.000 3.005 75 W HA 0.794 5.402 4.660 -0.086 0.000 0.343 75 W C -1.252 175.313 176.519 0.076 0.000 1.243 75 W CA -1.166 56.163 57.345 -0.027 0.000 1.186 75 W CB 0.981 30.316 29.460 -0.209 0.000 1.453 75 W HN 0.626 nan 8.180 nan 0.000 0.575 76 T N 1.790 116.486 114.554 0.237 0.000 2.876 76 T HA 0.641 4.937 4.350 -0.089 0.000 0.289 76 T C -1.563 173.191 174.700 0.090 0.000 1.014 76 T CA -0.627 61.538 62.100 0.108 0.000 0.986 76 T CB 1.853 70.732 68.868 0.018 0.000 1.021 76 T HN 0.457 nan 8.240 nan 0.000 0.458 77 V N 2.201 122.083 119.914 -0.054 0.000 2.525 77 V HA 0.708 4.774 4.120 -0.089 0.000 0.299 77 V C 0.000 175.681 176.094 -0.689 0.000 1.034 77 V CA -1.004 61.049 62.300 -0.412 0.000 0.863 77 V CB 1.535 32.911 31.823 -0.745 0.000 0.999 77 V HN 1.116 nan 8.190 nan 0.000 0.423 78 A N 4.021 126.546 122.820 -0.492 0.000 2.331 78 A HA 0.563 4.830 4.320 -0.089 0.000 0.283 78 A C -0.542 176.716 177.584 -0.544 0.000 1.142 78 A CA -0.326 51.465 52.037 -0.411 0.000 0.812 78 A CB 0.240 19.148 19.000 -0.153 0.000 1.074 78 A HN 0.924 nan 8.150 nan 0.000 0.497 79 W N 2.482 123.692 121.300 -0.150 0.000 1.496 79 W HA 0.386 4.993 4.660 -0.090 0.000 0.422 79 W C 0.690 177.228 176.519 0.031 0.000 0.638 79 W CA -0.035 57.147 57.345 -0.273 0.000 2.105 79 W CB 0.172 29.427 29.460 -0.342 0.000 1.639 79 W HN 0.627 nan 8.180 nan 0.000 0.304 80 K N 2.753 123.332 120.400 0.298 0.000 2.468 80 K HA 0.326 4.592 4.320 -0.089 0.000 0.252 80 K C -0.530 176.242 176.600 0.286 0.000 0.932 80 K CA -0.559 55.886 56.287 0.264 0.000 0.794 80 K CB 1.150 33.705 32.500 0.093 0.000 1.241 80 K HN 0.211 nan 8.250 nan 0.000 0.428 81 N N 1.359 120.158 118.700 0.166 0.000 3.278 81 N HA 0.217 4.903 4.740 -0.089 0.000 0.307 81 N C -0.076 175.372 175.510 -0.103 0.000 1.551 81 N CA -0.716 52.339 53.050 0.009 0.000 0.794 81 N CB 0.016 38.436 38.487 -0.113 0.000 1.770 81 N HN 0.425 nan 8.380 nan 0.000 0.612 82 N N -1.151 117.368 118.700 -0.301 0.000 2.519 82 N HA -0.054 4.632 4.740 -0.089 0.000 0.186 82 N C 0.069 175.180 175.510 -0.666 0.000 1.062 82 N CA 1.091 53.794 53.050 -0.579 0.000 0.910 82 N CB -0.232 37.704 38.487 -0.918 0.000 0.958 82 N HN 0.517 nan 8.380 nan 0.000 0.445 83 Y N -0.240 120.048 120.300 -0.019 0.000 2.430 83 Y HA 0.284 4.780 4.550 -0.090 0.000 0.248 83 Y C 0.481 176.387 175.900 0.010 0.000 1.108 83 Y CA -0.363 57.731 58.100 -0.010 0.000 1.264 83 Y CB 0.602 39.046 38.460 -0.026 0.000 1.172 83 Y HN -0.059 nan 8.280 nan 0.000 0.520 84 R N -0.517 120.061 120.500 0.129 0.000 2.716 84 R HA 0.532 4.818 4.340 -0.089 0.000 0.271 84 R C -1.893 174.464 176.300 0.095 0.000 1.028 84 R CA -0.997 55.175 56.100 0.121 0.000 0.883 84 R CB 1.006 31.413 30.300 0.178 0.000 1.250 84 R HN -0.154 nan 8.270 nan 0.000 0.465 85 N N -0.011 118.697 118.700 0.012 0.000 2.599 85 N HA 0.305 4.991 4.740 -0.089 0.000 0.283 85 N C -0.972 174.376 175.510 -0.269 0.000 1.160 85 N CA -0.266 52.706 53.050 -0.131 0.000 0.869 85 N CB 2.162 40.483 38.487 -0.277 0.000 1.448 85 N HN 0.791 nan 8.380 nan 0.000 0.535 86 A N 2.095 124.866 122.820 -0.082 0.000 2.238 86 A HA 0.120 4.387 4.320 -0.089 0.000 0.208 86 A C 0.153 177.739 177.584 0.004 0.000 1.177 86 A CA 0.176 52.187 52.037 -0.043 0.000 0.804 86 A CB -0.588 18.423 19.000 0.017 0.000 0.823 86 A HN 0.787 nan 8.150 nan 0.000 0.482 87 H N 0.245 119.369 119.070 0.090 0.000 2.626 87 H HA -0.152 4.350 4.556 -0.090 0.000 0.317 87 H C -0.061 175.301 175.328 0.056 0.000 1.140 87 H CA 0.887 56.971 56.048 0.059 0.000 1.134 87 H CB -2.198 27.584 29.762 0.034 0.000 1.486 87 H HN 0.678 nan 8.280 nan 0.000 0.417 88 S N -1.793 114.008 115.700 0.168 0.000 2.671 88 S HA 0.944 5.361 4.470 -0.089 0.000 0.277 88 S C -0.470 174.230 174.600 0.166 0.000 1.165 88 S CA -0.531 57.764 58.200 0.158 0.000 0.822 88 S CB 3.049 66.337 63.200 0.147 0.000 1.150 88 S HN 0.752 nan 8.310 nan 0.000 0.479 89 A N 0.419 123.308 122.820 0.114 0.000 2.520 89 A HA 0.835 5.102 4.320 -0.089 0.000 0.298 89 A C -0.766 176.800 177.584 -0.030 0.000 1.051 89 A CA -0.653 51.362 52.037 -0.037 0.000 0.690 89 A CB 1.690 20.641 19.000 -0.081 0.000 1.281 89 A HN 0.682 nan 8.150 nan 0.000 0.402 90 T N 1.745 116.206 114.554 -0.154 0.000 2.856 90 T HA 0.753 5.049 4.350 -0.089 0.000 0.283 90 T C -0.119 174.340 174.700 -0.401 0.000 1.008 90 T CA 0.010 61.911 62.100 -0.332 0.000 0.997 90 T CB 1.479 69.988 68.868 -0.599 0.000 0.992 90 T HN 1.101 nan 8.240 nan 0.000 0.454 91 T N 0.132 114.438 114.554 -0.412 0.000 2.841 91 T HA 0.646 4.943 4.350 -0.089 0.000 0.283 91 T C -1.116 173.339 174.700 -0.408 0.000 1.000 91 T CA -0.856 61.075 62.100 -0.283 0.000 0.977 91 T CB 1.133 69.916 68.868 -0.141 0.000 0.979 91 T HN 0.550 nan 8.240 nan 0.000 0.446 92 W N 1.671 122.635 121.300 -0.559 0.000 2.587 92 W HA 0.586 5.196 4.660 -0.084 0.000 0.324 92 W C -0.064 176.170 176.519 -0.475 0.000 1.040 92 W CA -0.919 56.064 57.345 -0.603 0.000 1.222 92 W CB 2.300 30.975 29.460 -1.309 0.000 1.381 92 W HN 0.709 nan 8.180 nan 0.000 0.483 93 S N 1.931 117.617 115.700 -0.022 0.000 2.519 93 S HA 0.875 5.292 4.470 -0.089 0.000 0.309 93 S C -0.139 174.503 174.600 0.071 0.000 1.100 93 S CA -0.020 58.187 58.200 0.011 0.000 1.059 93 S CB 1.295 64.497 63.200 0.003 0.000 1.008 93 S HN 0.769 nan 8.310 nan 0.000 0.478 94 G N 2.969 111.830 108.800 0.101 0.000 2.435 94 G HA2 0.507 4.414 3.960 -0.089 0.000 0.296 94 G HA3 0.507 4.414 3.960 -0.089 0.000 0.296 94 G C -2.276 172.715 174.900 0.152 0.000 1.240 94 G CA -0.764 44.419 45.100 0.139 0.000 0.872 94 G HN 0.770 nan 8.290 nan 0.000 0.480 95 Q N -1.117 118.782 119.800 0.165 0.000 2.416 95 Q HA 0.574 4.860 4.340 -0.089 0.000 0.281 95 Q C -1.853 174.257 176.000 0.184 0.000 1.067 95 Q CA -1.046 54.857 55.803 0.167 0.000 0.809 95 Q CB 2.932 31.744 28.738 0.123 0.000 1.418 95 Q HN 0.695 nan 8.270 nan 0.000 0.411 96 Y N 1.002 121.341 120.300 0.064 0.000 2.313 96 Y HA 0.519 5.015 4.550 -0.090 0.000 0.332 96 Y C -1.338 174.609 175.900 0.077 0.000 1.071 96 Y CA -0.667 57.452 58.100 0.031 0.000 1.169 96 Y CB 1.238 39.694 38.460 -0.007 0.000 1.192 96 Y HN 0.458 nan 8.280 nan 0.000 0.487 97 V N 7.873 127.465 119.914 -0.536 0.000 2.325 97 V HA 0.463 4.530 4.120 -0.089 0.000 0.280 97 V C 0.639 176.342 176.094 -0.652 0.000 1.016 97 V CA -0.310 61.712 62.300 -0.463 0.000 0.818 97 V CB 0.675 32.409 31.823 -0.148 0.000 1.019 97 V HN 1.086 nan 8.190 nan 0.000 0.434 98 G N 2.710 111.052 108.800 -0.763 0.000 2.516 98 G HA2 0.689 4.596 3.960 -0.089 0.000 0.276 98 G HA3 0.689 4.596 3.960 -0.089 0.000 0.276 98 G C 0.458 175.304 174.900 -0.091 0.000 1.390 98 G CA 0.430 45.316 45.100 -0.358 0.000 1.050 98 G HN 1.523 nan 8.290 nan 0.000 0.519 99 G N -1.865 106.943 108.800 0.014 0.000 2.472 99 G HA2 0.326 4.232 3.960 -0.089 0.000 0.205 99 G HA3 0.326 4.232 3.960 -0.089 0.000 0.205 99 G C 1.082 176.000 174.900 0.030 0.000 1.270 99 G CA 0.879 45.991 45.100 0.021 0.000 0.974 99 G HN 1.755 nan 8.290 nan 0.000 0.542 100 A N 0.145 122.979 122.820 0.024 0.000 1.844 100 A HA 0.170 4.437 4.320 -0.089 0.000 0.214 100 A C 1.618 179.222 177.584 0.033 0.000 1.217 100 A CA 2.591 54.642 52.037 0.024 0.000 0.644 100 A CB -0.840 18.171 19.000 0.019 0.000 0.850 100 A HN 1.793 nan 8.150 nan 0.000 0.456 101 E N 0.619 120.842 120.200 0.039 0.000 1.999 101 E HA 0.445 4.742 4.350 -0.089 0.000 0.296 101 E C 0.008 176.660 176.600 0.087 0.000 1.187 101 E CA 0.119 56.557 56.400 0.062 0.000 1.229 101 E CB -0.639 29.098 29.700 0.061 0.000 1.131 101 E HN 0.580 nan 8.360 nan 0.000 0.478 102 A N 4.218 127.100 122.820 0.105 0.000 2.498 102 A HA 0.388 4.654 4.320 -0.089 0.000 0.239 102 A C -0.109 177.676 177.584 0.335 0.000 1.068 102 A CA 0.046 52.180 52.037 0.162 0.000 0.766 102 A CB 0.235 19.391 19.000 0.260 0.000 1.003 102 A HN 0.736 nan 8.150 nan 0.000 0.497 103 R N 0.660 121.329 120.500 0.282 0.000 2.710 103 R HA 0.698 4.985 4.340 -0.089 0.000 0.270 103 R C -1.663 174.734 176.300 0.161 0.000 1.021 103 R CA -0.778 55.537 56.100 0.358 0.000 0.889 103 R CB 1.207 31.654 30.300 0.245 0.000 1.243 103 R HN 0.420 nan 8.270 nan 0.000 0.464 104 I N 1.921 122.562 120.570 0.120 0.000 2.354 104 I HA 0.310 4.427 4.170 -0.089 0.000 0.286 104 I C -0.667 175.640 176.117 0.316 0.000 1.007 104 I CA -0.908 60.459 61.300 0.112 0.000 1.167 104 I CB 1.508 39.451 38.000 -0.095 0.000 1.320 104 I HN 0.441 nan 8.210 nan 0.000 0.458 105 N N 5.323 124.171 118.700 0.246 0.000 2.419 105 N HA 0.381 5.067 4.740 -0.089 0.000 0.264 105 N C -0.248 175.429 175.510 0.278 0.000 1.031 105 N CA -0.160 53.042 53.050 0.253 0.000 0.951 105 N CB 1.896 40.481 38.487 0.164 0.000 1.101 105 N HN 0.651 nan 8.380 nan 0.000 0.488 106 T N -0.942 113.826 114.554 0.357 0.000 2.906 106 T HA 0.449 4.746 4.350 -0.089 0.000 0.295 106 T C -0.663 174.212 174.700 0.292 0.000 1.075 106 T CA -0.930 61.377 62.100 0.344 0.000 1.005 106 T CB 2.199 71.379 68.868 0.520 0.000 1.136 106 T HN 0.219 nan 8.240 nan 0.000 0.498 107 Q N 1.240 121.146 119.800 0.177 0.000 2.345 107 Q HA 0.477 4.763 4.340 -0.089 0.000 0.268 107 Q C -0.979 175.036 176.000 0.026 0.000 1.054 107 Q CA -0.829 54.996 55.803 0.036 0.000 0.835 107 Q CB 2.543 31.253 28.738 -0.048 0.000 1.339 107 Q HN 0.881 nan 8.270 nan 0.000 0.447 108 W N 1.703 122.914 121.300 -0.150 0.000 2.962 108 W HA 0.706 5.313 4.660 -0.089 0.000 0.341 108 W C -1.944 174.402 176.519 -0.287 0.000 1.155 108 W CA -1.037 56.081 57.345 -0.378 0.000 1.165 108 W CB 0.786 29.773 29.460 -0.789 0.000 1.435 108 W HN 0.400 nan 8.180 nan 0.000 0.546 109 L N 3.668 124.914 121.223 0.039 0.000 2.356 109 L HA 0.426 4.713 4.340 -0.089 0.000 0.277 109 L C -0.863 176.049 176.870 0.071 0.000 0.996 109 L CA -1.078 53.786 54.840 0.041 0.000 0.822 109 L CB 1.824 43.854 42.059 -0.048 0.000 1.256 109 L HN 0.233 nan 8.230 nan 0.000 0.413 110 L N 3.025 124.346 121.223 0.163 0.000 2.305 110 L HA 0.593 4.880 4.340 -0.089 0.000 0.284 110 L C -0.381 176.500 176.870 0.019 0.000 1.013 110 L CA 0.232 55.099 54.840 0.044 0.000 0.819 110 L CB 1.539 43.619 42.059 0.034 0.000 1.227 110 L HN 0.481 nan 8.230 nan 0.000 0.417 111 T N 3.501 118.053 114.554 -0.003 0.000 2.797 111 T HA 0.560 4.856 4.350 -0.089 0.000 0.279 111 T C -0.288 174.416 174.700 0.007 0.000 0.991 111 T CA -0.362 61.733 62.100 -0.009 0.000 0.979 111 T CB 1.148 70.006 68.868 -0.017 0.000 0.943 111 T HN 0.651 nan 8.240 nan 0.000 0.444 112 S N 1.612 117.307 115.700 -0.008 0.000 2.475 112 S HA 0.608 5.024 4.470 -0.089 0.000 0.298 112 S C 0.726 175.324 174.600 -0.002 0.000 1.119 112 S CA -0.864 57.340 58.200 0.007 0.000 1.085 112 S CB 1.386 64.577 63.200 -0.014 0.000 1.028 112 S HN 0.914 nan 8.310 nan 0.000 0.489 113 G N 2.411 111.225 108.800 0.023 0.000 2.313 113 G HA2 0.416 4.323 3.960 -0.089 0.000 0.250 113 G HA3 0.416 4.323 3.960 -0.089 0.000 0.250 113 G C 0.177 175.060 174.900 -0.028 0.000 1.281 113 G CA -0.113 44.985 45.100 -0.003 0.000 0.917 113 G HN 0.695 nan 8.290 nan 0.000 0.501 114 T N -0.919 113.612 114.554 -0.038 0.000 2.887 114 T HA 0.733 5.030 4.350 -0.089 0.000 0.292 114 T C 0.475 175.156 174.700 -0.033 0.000 1.087 114 T CA -0.212 61.860 62.100 -0.046 0.000 1.009 114 T CB 1.524 70.350 68.868 -0.070 0.000 1.203 114 T HN 0.782 nan 8.240 nan 0.000 0.518 115 T N -0.513 114.026 114.554 -0.025 0.000 2.828 115 T HA 0.293 4.590 4.350 -0.089 0.000 0.290 115 T C 1.043 175.747 174.700 0.008 0.000 1.019 115 T CA -0.322 61.773 62.100 -0.008 0.000 1.031 115 T CB 0.365 69.233 68.868 0.000 0.000 1.001 115 T HN 0.664 nan 8.240 nan 0.000 0.531 116 E N 1.049 121.260 120.200 0.017 0.000 2.147 116 E HA -0.127 4.169 4.350 -0.089 0.000 0.199 116 E C 2.287 178.927 176.600 0.065 0.000 1.005 116 E CA 1.802 58.222 56.400 0.033 0.000 0.810 116 E CB -0.844 28.873 29.700 0.028 0.000 0.736 116 E HN 0.802 nan 8.360 nan 0.000 0.460 117 A N 0.740 123.603 122.820 0.071 0.000 1.968 117 A HA -0.076 4.190 4.320 -0.089 0.000 0.217 117 A C 1.477 179.183 177.584 0.205 0.000 1.169 117 A CA 1.086 53.196 52.037 0.122 0.000 0.638 117 A CB -0.046 19.010 19.000 0.093 0.000 0.812 117 A HN 0.127 nan 8.150 nan 0.000 0.446 118 N N -0.134 118.621 118.700 0.092 0.000 2.235 118 N HA 0.231 4.918 4.740 -0.089 0.000 0.209 118 N C 1.335 176.729 175.510 -0.193 0.000 1.122 118 N CA 0.736 53.762 53.050 -0.040 0.000 0.845 118 N CB 0.319 38.750 38.487 -0.093 0.000 1.004 118 N HN 0.430 nan 8.380 nan 0.000 0.499 119 A N 1.443 124.254 122.820 -0.015 0.000 1.972 119 A HA -0.132 4.134 4.320 -0.089 0.000 0.219 119 A C 1.948 179.505 177.584 -0.045 0.000 1.169 119 A CA 0.790 52.807 52.037 -0.032 0.000 0.635 119 A CB -0.940 18.081 19.000 0.035 0.000 0.810 119 A HN 0.645 nan 8.150 nan 0.000 0.446 120 W N 1.363 122.660 121.300 -0.006 0.000 2.364 120 W HA -0.157 4.499 4.660 -0.007 0.000 0.281 120 W C 0.833 177.347 176.519 -0.007 0.000 1.219 120 W CA 1.345 58.686 57.345 -0.007 0.000 1.220 120 W CB -0.497 28.959 29.460 -0.008 0.000 1.127 120 W HN 0.509 nan 8.180 nan 0.000 0.556 121 K N 1.335 121.136 120.400 -1.000 0.000 2.726 121 K HA 0.256 4.522 4.320 -0.089 0.000 0.209 121 K C 1.166 177.485 176.600 -0.468 0.000 1.082 121 K CA 0.572 56.295 56.287 -0.940 0.000 1.081 121 K CB -0.041 31.498 32.500 -1.602 0.000 0.830 121 K HN -0.011 nan 8.250 nan 0.000 0.470 122 S N -0.350 115.178 115.700 -0.287 0.000 2.528 122 S HA 0.026 4.443 4.470 -0.089 0.000 0.219 122 S C 0.330 174.868 174.600 -0.103 0.000 0.985 122 S CA -0.017 58.083 58.200 -0.167 0.000 0.914 122 S CB -0.005 63.130 63.200 -0.109 0.000 0.776 122 S HN 0.204 nan 8.310 nan 0.000 0.526 123 T N 2.513 117.013 114.554 -0.090 0.000 2.890 123 T HA 0.560 4.856 4.350 -0.089 0.000 0.295 123 T C -0.681 173.995 174.700 -0.041 0.000 0.993 123 T CA -0.581 61.490 62.100 -0.048 0.000 0.979 123 T CB 1.402 70.247 68.868 -0.038 0.000 0.967 123 T HN 0.190 nan 8.240 nan 0.000 0.441 124 L N 2.758 123.981 121.223 0.000 0.000 2.379 124 L HA 0.799 5.086 4.340 -0.089 0.000 0.269 124 L C 0.012 176.842 176.870 -0.066 0.000 1.084 124 L CA -0.938 53.907 54.840 0.009 0.000 0.802 124 L CB 1.377 43.512 42.059 0.127 0.000 1.175 124 L HN 0.330 nan 8.230 nan 0.000 0.448 125 V N 0.974 120.737 119.914 -0.251 0.000 2.914 125 V HA 0.996 5.062 4.120 -0.089 0.000 0.314 125 V C -0.158 175.349 176.094 -0.979 0.000 1.084 125 V CA 0.181 62.164 62.300 -0.528 0.000 0.963 125 V CB 1.842 33.473 31.823 -0.320 0.000 1.025 125 V HN 0.874 nan 8.190 nan 0.000 0.432 126 G N 3.556 111.371 108.800 -1.641 0.000 2.561 126 G HA2 0.647 4.554 3.960 -0.089 0.000 0.310 126 G HA3 0.647 4.554 3.960 -0.089 0.000 0.310 126 G C -1.583 172.603 174.900 -1.190 0.000 1.292 126 G CA -0.106 44.104 45.100 -1.484 0.000 0.811 126 G HN 1.563 nan 8.290 nan 0.000 0.482 127 H N -1.596 117.150 119.070 -0.539 0.000 2.961 127 H HA 0.836 5.337 4.556 -0.091 0.000 0.371 127 H C -1.872 173.662 175.328 0.343 0.000 1.190 127 H CA -0.891 55.118 56.048 -0.065 0.000 1.138 127 H CB 2.997 32.733 29.762 -0.042 0.000 1.816 127 H HN 0.513 nan 8.280 nan 0.000 0.551 128 D N 0.349 121.007 120.400 0.431 0.000 2.753 128 D HA 0.379 4.965 4.640 -0.089 0.000 0.224 128 D C -1.133 175.306 176.300 0.232 0.000 1.213 128 D CA -0.414 53.751 54.000 0.274 0.000 0.833 128 D CB 2.865 43.830 40.800 0.274 0.000 1.607 128 D HN 0.688 nan 8.370 nan 0.000 0.463 129 T N 2.212 116.796 114.554 0.050 0.000 2.812 129 T HA 0.531 4.827 4.350 -0.089 0.000 0.282 129 T C -0.621 174.105 174.700 0.043 0.000 0.990 129 T CA -0.366 61.825 62.100 0.152 0.000 0.960 129 T CB 0.276 69.244 68.868 0.166 0.000 0.948 129 T HN 0.108 nan 8.240 nan 0.000 0.438 130 F N 2.247 122.369 119.950 0.285 0.000 2.450 130 F HA 0.639 5.113 4.527 -0.090 0.000 0.332 130 F C 1.178 177.263 175.800 0.474 0.000 1.093 130 F CA -0.698 57.503 58.000 0.335 0.000 1.003 130 F CB 1.895 41.046 39.000 0.251 0.000 1.151 130 F HN 0.530 nan 8.300 nan 0.000 0.474 131 T N -1.726 113.232 114.554 0.674 0.000 2.907 131 T HA 0.410 4.706 4.350 -0.089 0.000 0.290 131 T C 0.289 175.185 174.700 0.327 0.000 1.066 131 T CA -1.039 61.388 62.100 0.545 0.000 1.012 131 T CB 2.106 71.153 68.868 0.298 0.000 1.184 131 T HN 0.549 nan 8.240 nan 0.000 0.522 132 K N -0.033 120.355 120.400 -0.020 0.000 2.426 132 K HA 0.297 4.564 4.320 -0.089 0.000 0.193 132 K C 0.441 177.057 176.600 0.027 0.000 1.028 132 K CA 0.260 56.369 56.287 -0.297 0.000 1.047 132 K CB 0.105 32.316 32.500 -0.483 0.000 0.821 132 K HN 0.572 nan 8.250 nan 0.000 0.513 133 V N 0.000 119.970 119.914 0.093 0.000 2.409 133 V HA 0.000 4.066 4.120 -0.089 0.000 0.244 133 V CA 0.000 62.303 62.300 0.006 0.000 1.235 133 V CB 0.000 31.801 31.823 -0.037 0.000 1.184 133 V HN 0.000 nan 8.190 nan 0.000 0.556