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 2z14_1_A DATA FIRST_RESID 6 DATA SEQUENCE SGWVAFDKQV LSFDAYLEEE VLDKSQTNYR IRYYKIYFYP EDDTIQVNEP DATA SEQUENCE EXXXXXLLQG TSIRRHRITL PPPDEDQFYT VYHFNVGTEV VFYGRTFKIY DATA SEQUENCE DCDAFTRNFL RKIGVKVNPP V 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.523 174.600 -0.129 0.000 1.055 6 S CA 0.000 58.242 58.200 0.070 0.000 1.107 6 S CB 0.000 63.226 63.200 0.043 0.000 0.593 7 G N -0.479 108.267 108.800 -0.090 0.000 2.192 7 G HA2 -0.173 3.306 3.960 -0.802 0.000 0.193 7 G HA3 -0.173 3.306 3.960 -0.802 0.000 0.193 7 G C -0.182 174.587 174.900 -0.218 0.000 0.999 7 G CA -0.246 44.743 45.100 -0.183 0.000 0.659 7 G HN 0.946 nan 8.290 nan 0.000 0.503 8 W N 0.743 122.012 121.300 -0.051 0.000 2.257 8 W HA 0.449 5.099 4.660 -0.016 0.000 0.337 8 W C 0.804 177.251 176.519 -0.120 0.000 1.321 8 W CA -0.345 56.958 57.345 -0.069 0.000 1.267 8 W CB 0.636 30.062 29.460 -0.058 0.000 1.187 8 W HN 0.091 nan 8.180 nan 0.000 0.565 9 V N 4.225 124.178 119.914 0.065 0.000 2.427 9 V HA 0.574 4.212 4.120 -0.802 0.000 0.268 9 V C 0.406 176.345 176.094 -0.258 0.000 1.046 9 V CA -0.578 61.624 62.300 -0.163 0.000 0.970 9 V CB -0.129 31.601 31.823 -0.155 0.000 1.001 9 V HN 0.613 nan 8.190 nan 0.000 0.476 10 A N 5.231 127.778 122.820 -0.455 0.000 2.459 10 A HA 0.799 4.638 4.320 -0.802 0.000 0.296 10 A C -0.996 176.288 177.584 -0.499 0.000 1.039 10 A CA -0.478 51.340 52.037 -0.364 0.000 0.698 10 A CB 1.086 20.022 19.000 -0.107 0.000 1.261 10 A HN 0.652 nan 8.150 nan 0.000 0.405 11 F N 2.287 122.276 119.950 0.065 0.000 2.550 11 F HA 0.211 4.275 4.527 -0.771 0.000 0.312 11 F C 0.623 176.470 175.800 0.079 0.000 1.256 11 F CA -0.573 57.459 58.000 0.053 0.000 1.182 11 F CB 1.060 40.076 39.000 0.027 0.000 1.383 11 F HN 0.662 nan 8.300 nan 0.000 0.541 12 D N -0.547 119.957 120.400 0.173 0.000 2.342 12 D HA 0.020 4.179 4.640 -0.802 0.000 0.221 12 D C 0.464 176.870 176.300 0.177 0.000 1.101 12 D CA 0.010 54.113 54.000 0.172 0.000 0.837 12 D CB 0.059 40.928 40.800 0.115 0.000 0.938 12 D HN 0.344 nan 8.370 nan 0.000 0.508 13 K N 0.433 120.929 120.400 0.159 0.000 2.972 13 K HA 0.148 3.987 4.320 -0.802 0.000 0.209 13 K C -0.089 176.546 176.600 0.059 0.000 1.128 13 K CA -0.373 55.979 56.287 0.109 0.000 1.024 13 K CB 1.128 33.693 32.500 0.108 0.000 0.754 13 K HN 0.057 nan 8.250 nan 0.000 0.454 14 Q N 1.076 120.915 119.800 0.065 0.000 2.392 14 Q HA 0.098 3.957 4.340 -0.802 0.000 0.262 14 Q C 0.198 176.082 176.000 -0.192 0.000 1.003 14 Q CA -0.147 55.617 55.803 -0.064 0.000 0.888 14 Q CB 1.479 30.133 28.738 -0.140 0.000 1.260 14 Q HN 0.036 nan 8.270 nan 0.000 0.435 15 V N 3.181 122.871 119.914 -0.374 0.000 2.901 15 V HA -0.038 3.601 4.120 -0.802 0.000 0.307 15 V C -0.338 175.452 176.094 -0.508 0.000 1.084 15 V CA 0.069 61.999 62.300 -0.618 0.000 1.184 15 V CB 0.374 31.540 31.823 -1.096 0.000 0.941 15 V HN 0.477 nan 8.190 nan 0.000 0.493 16 L N 5.873 126.834 121.223 -0.436 0.000 2.322 16 L HA 0.584 4.443 4.340 -0.802 0.000 0.279 16 L C 0.157 176.781 176.870 -0.411 0.000 1.036 16 L CA 0.160 54.782 54.840 -0.362 0.000 0.807 16 L CB 1.491 43.386 42.059 -0.272 0.000 1.226 16 L HN 0.890 nan 8.230 nan 0.000 0.433 17 S N 1.641 117.041 115.700 -0.501 0.000 2.502 17 S HA 0.804 4.793 4.470 -0.802 0.000 0.304 17 S C -0.913 173.391 174.600 -0.494 0.000 1.097 17 S CA -0.629 57.405 58.200 -0.277 0.000 1.045 17 S CB 1.396 64.529 63.200 -0.111 0.000 1.019 17 S HN 0.232 nan 8.310 nan 0.000 0.481 18 F N 0.796 120.782 119.950 0.060 0.000 2.520 18 F HA 0.439 4.485 4.527 -0.803 0.000 0.322 18 F C 0.018 175.836 175.800 0.029 0.000 1.103 18 F CA -0.852 57.172 58.000 0.040 0.000 0.926 18 F CB 1.652 40.707 39.000 0.091 0.000 1.154 18 F HN 0.498 nan 8.300 nan 0.000 0.453 19 D N 2.401 122.827 120.400 0.043 0.000 2.249 19 D HA 0.601 4.760 4.640 -0.802 0.000 0.246 19 D C -0.452 175.754 176.300 -0.156 0.000 1.114 19 D CA 0.126 54.046 54.000 -0.134 0.000 0.854 19 D CB 1.929 42.427 40.800 -0.504 0.000 1.132 19 D HN 0.646 nan 8.370 nan 0.000 0.461 20 A N 2.166 125.162 122.820 0.293 0.000 2.532 20 A HA 0.774 4.612 4.320 -0.802 0.000 0.290 20 A C -1.600 176.479 177.584 0.825 0.000 1.143 20 A CA -0.804 51.557 52.037 0.540 0.000 0.728 20 A CB 1.653 20.895 19.000 0.404 0.000 1.317 20 A HN 0.584 nan 8.150 nan 0.000 0.414 21 Y N -1.338 119.273 120.300 0.518 0.000 2.655 21 Y HA 0.819 4.888 4.550 -0.802 0.000 0.336 21 Y C -1.360 174.608 175.900 0.113 0.000 1.154 21 Y CA -1.554 56.703 58.100 0.263 0.000 1.055 21 Y CB 1.170 39.607 38.460 -0.037 0.000 1.295 21 Y HN 1.166 nan 8.280 nan 0.000 0.465 22 L N -1.188 120.076 121.223 0.068 0.000 2.540 22 L HA 0.768 4.627 4.340 -0.802 0.000 0.256 22 L C -1.660 175.232 176.870 0.036 0.000 1.001 22 L CA -1.465 53.283 54.840 -0.154 0.000 0.843 22 L CB 2.116 43.925 42.059 -0.417 0.000 1.436 22 L HN 0.651 nan 8.230 nan 0.000 0.410 23 E N 0.281 120.482 120.200 0.003 0.000 2.151 23 E HA 0.447 4.316 4.350 -0.802 0.000 0.275 23 E C -1.163 175.469 176.600 0.053 0.000 0.936 23 E CA -0.365 56.090 56.400 0.092 0.000 0.777 23 E CB 1.723 31.459 29.700 0.060 0.000 1.108 23 E HN 0.683 nan 8.360 nan 0.000 0.401 24 E N 3.286 123.544 120.200 0.097 0.000 2.052 24 E HA 0.056 3.925 4.350 -0.802 0.000 0.283 24 E C -0.894 175.767 176.600 0.102 0.000 1.071 24 E CA -0.256 56.184 56.400 0.067 0.000 0.851 24 E CB 0.432 30.171 29.700 0.066 0.000 1.066 24 E HN 0.382 nan 8.360 nan 0.000 0.396 25 E N 3.559 123.803 120.200 0.073 0.000 2.092 25 E HA 0.228 4.097 4.350 -0.802 0.000 0.271 25 E C -1.001 175.633 176.600 0.057 0.000 0.919 25 E CA -0.695 55.758 56.400 0.088 0.000 0.760 25 E CB 1.833 31.562 29.700 0.048 0.000 1.106 25 E HN 0.244 nan 8.360 nan 0.000 0.408 26 V N 4.430 124.382 119.914 0.063 0.000 2.364 26 V HA 0.123 3.762 4.120 -0.802 0.000 0.272 26 V C -0.264 175.853 176.094 0.038 0.000 1.036 26 V CA -0.752 61.572 62.300 0.041 0.000 0.880 26 V CB 0.951 32.794 31.823 0.033 0.000 0.991 26 V HN 0.540 nan 8.190 nan 0.000 0.460 27 L N 4.992 126.232 121.223 0.028 0.000 2.283 27 L HA 0.474 4.333 4.340 -0.802 0.000 0.287 27 L C -0.112 176.769 176.870 0.020 0.000 1.073 27 L CA 0.342 55.196 54.840 0.024 0.000 0.822 27 L CB 0.672 42.741 42.059 0.018 0.000 1.186 27 L HN 0.655 nan 8.230 nan 0.000 0.436 28 D N 5.902 126.314 120.400 0.020 0.000 2.485 28 D HA 0.280 4.439 4.640 -0.802 0.000 0.229 28 D C 0.241 176.550 176.300 0.014 0.000 1.101 28 D CA -0.134 53.875 54.000 0.016 0.000 0.906 28 D CB 0.305 41.114 40.800 0.015 0.000 1.019 28 D HN 0.422 nan 8.370 nan 0.000 0.516 29 K N 1.186 121.594 120.400 0.012 0.000 3.004 29 K HA -0.226 3.613 4.320 -0.802 0.000 0.165 29 K C 1.202 177.808 176.600 0.011 0.000 0.948 29 K CA 1.756 58.049 56.287 0.010 0.000 0.428 29 K CB -2.194 30.311 32.500 0.009 0.000 0.735 29 K HN 0.473 nan 8.250 nan 0.000 0.723 30 S N 1.547 117.254 115.700 0.011 0.000 2.524 30 S HA 0.081 4.070 4.470 -0.802 0.000 0.215 30 S C 0.742 175.350 174.600 0.014 0.000 0.986 30 S CA 0.447 58.653 58.200 0.011 0.000 0.911 30 S CB 0.530 63.736 63.200 0.009 0.000 0.805 30 S HN 0.397 nan 8.310 nan 0.000 0.501 31 Q N 1.261 121.071 119.800 0.017 0.000 2.241 31 Q HA 0.429 4.287 4.340 -0.802 0.000 0.254 31 Q C -1.345 174.674 176.000 0.030 0.000 0.917 31 Q CA -0.205 55.612 55.803 0.023 0.000 0.919 31 Q CB 1.169 29.920 28.738 0.022 0.000 1.237 31 Q HN 0.209 nan 8.270 nan 0.000 0.434 32 T N 4.399 118.978 114.554 0.042 0.000 2.791 32 T HA 0.414 4.283 4.350 -0.802 0.000 0.288 32 T C -0.657 174.102 174.700 0.098 0.000 0.999 32 T CA -0.754 61.381 62.100 0.057 0.000 0.952 32 T CB 0.567 69.463 68.868 0.047 0.000 0.938 32 T HN 0.520 nan 8.240 nan 0.000 0.444 33 N N 2.322 121.080 118.700 0.096 0.000 2.459 33 N HA 0.635 4.894 4.740 -0.802 0.000 0.288 33 N C -0.940 174.673 175.510 0.171 0.000 1.186 33 N CA -0.502 52.611 53.050 0.107 0.000 0.917 33 N CB 2.085 40.589 38.487 0.028 0.000 1.219 33 N HN 0.767 nan 8.380 nan 0.000 0.525 34 Y N -2.010 118.291 120.300 0.001 0.000 2.689 34 Y HA 0.612 4.681 4.550 -0.802 0.000 0.333 34 Y C -1.260 174.641 175.900 0.001 0.000 1.208 34 Y CA -1.290 56.810 58.100 0.000 0.000 1.055 34 Y CB 1.280 39.740 38.460 -0.001 0.000 1.304 34 Y HN 0.564 nan 8.280 nan 0.000 0.455 35 R N 2.034 122.487 120.500 -0.078 0.000 2.774 35 R HA 0.763 4.622 4.340 -0.802 0.000 0.272 35 R C -2.030 174.322 176.300 0.088 0.000 1.000 35 R CA -0.945 55.067 56.100 -0.146 0.000 0.906 35 R CB 2.231 32.477 30.300 -0.090 0.000 1.227 35 R HN 0.808 nan 8.270 nan 0.000 0.468 36 I N 1.874 122.470 120.570 0.043 0.000 2.392 36 I HA 0.452 4.141 4.170 -0.802 0.000 0.295 36 I C 0.023 176.046 176.117 -0.157 0.000 0.985 36 I CA -0.965 60.319 61.300 -0.026 0.000 1.221 36 I CB 1.636 39.563 38.000 -0.121 0.000 1.366 36 I HN 0.446 nan 8.210 nan 0.000 0.467 37 R N 5.179 125.572 120.500 -0.178 0.000 2.599 37 R HA 0.533 4.392 4.340 -0.802 0.000 0.295 37 R C -1.683 174.464 176.300 -0.255 0.000 0.963 37 R CA -0.857 55.151 56.100 -0.154 0.000 0.883 37 R CB 2.036 32.346 30.300 0.016 0.000 1.171 37 R HN 0.399 nan 8.270 nan 0.000 0.450 38 Y N 1.940 122.217 120.300 -0.040 0.000 2.341 38 Y HA 0.402 4.470 4.550 -0.802 0.000 0.337 38 Y C -0.429 175.412 175.900 -0.097 0.000 1.014 38 Y CA -0.586 57.584 58.100 0.117 0.000 1.111 38 Y CB 1.078 39.627 38.460 0.147 0.000 1.194 38 Y HN 0.419 nan 8.280 nan 0.000 0.462 39 Y N 0.617 121.176 120.300 0.431 0.000 2.570 39 Y HA 0.509 4.578 4.550 -0.802 0.000 0.345 39 Y C -0.448 175.604 175.900 0.253 0.000 1.014 39 Y CA -1.611 56.681 58.100 0.320 0.000 1.063 39 Y CB 2.064 40.750 38.460 0.378 0.000 1.272 39 Y HN 0.385 nan 8.280 nan 0.000 0.477 40 K N 2.245 122.828 120.400 0.305 0.000 2.307 40 K HA 0.641 4.480 4.320 -0.802 0.000 0.263 40 K C -1.686 174.991 176.600 0.128 0.000 0.973 40 K CA -0.171 56.219 56.287 0.172 0.000 0.846 40 K CB 0.585 33.102 32.500 0.028 0.000 1.100 40 K HN 0.659 nan 8.250 nan 0.000 0.438 41 I N 5.281 125.985 120.570 0.223 0.000 2.339 41 I HA 0.250 3.939 4.170 -0.802 0.000 0.290 41 I C -0.796 175.526 176.117 0.342 0.000 0.994 41 I CA -1.033 60.398 61.300 0.218 0.000 1.191 41 I CB 0.736 38.902 38.000 0.277 0.000 1.343 41 I HN 0.521 nan 8.210 nan 0.000 0.458 42 Y N 5.856 126.156 120.300 -0.001 0.000 2.341 42 Y HA 0.400 4.471 4.550 -0.799 0.000 0.337 42 Y C -0.520 175.250 175.900 -0.218 0.000 1.014 42 Y CA -1.461 56.542 58.100 -0.163 0.000 1.111 42 Y CB 1.510 39.808 38.460 -0.269 0.000 1.194 42 Y HN 0.347 nan 8.280 nan 0.000 0.462 43 F N 4.229 124.002 119.950 -0.295 0.000 2.449 43 F HA 0.474 4.519 4.527 -0.805 0.000 0.342 43 F C -1.601 173.962 175.800 -0.394 0.000 1.127 43 F CA -1.156 56.658 58.000 -0.308 0.000 0.975 43 F CB 0.693 39.454 39.000 -0.399 0.000 1.146 43 F HN 0.315 nan 8.300 nan 0.000 0.444 44 Y N 7.596 127.527 120.300 -0.615 0.000 2.454 44 Y HA 0.322 4.389 4.550 -0.805 0.000 0.345 44 Y C -1.846 173.865 175.900 -0.315 0.000 0.970 44 Y CA -2.244 55.640 58.100 -0.360 0.000 1.204 44 Y CB 0.726 39.010 38.460 -0.293 0.000 1.122 44 Y HN 0.491 nan 8.280 nan 0.000 0.514 45 P HA -0.190 nan 4.420 nan 0.000 0.222 45 P C 1.381 178.756 177.300 0.125 0.000 1.147 45 P CA 1.283 64.483 63.100 0.167 0.000 0.790 45 P CB 0.410 32.166 31.700 0.094 0.000 0.780 46 E N 0.367 120.616 120.200 0.081 0.000 2.077 46 E HA -0.202 3.667 4.350 -0.802 0.000 0.193 46 E C 0.535 177.155 176.600 0.033 0.000 0.989 46 E CA 1.660 58.099 56.400 0.065 0.000 0.800 46 E CB -0.112 29.622 29.700 0.055 0.000 0.746 46 E HN 0.262 nan 8.360 nan 0.000 0.452 47 D N -1.716 118.673 120.400 -0.018 0.000 2.540 47 D HA 0.076 4.235 4.640 -0.802 0.000 0.229 47 D C -0.509 175.724 176.300 -0.112 0.000 1.250 47 D CA -0.040 53.925 54.000 -0.059 0.000 0.817 47 D CB 0.112 40.852 40.800 -0.101 0.000 1.060 47 D HN 0.004 nan 8.370 nan 0.000 0.508 48 D N 0.386 120.704 120.400 -0.136 0.000 2.772 48 D HA -0.149 4.010 4.640 -0.802 0.000 0.233 48 D C -0.390 175.629 176.300 -0.468 0.000 1.143 48 D CA 1.510 55.360 54.000 -0.250 0.000 0.700 48 D CB -1.471 39.390 40.800 0.103 0.000 1.076 48 D HN 0.567 nan 8.370 nan 0.000 0.430 49 T N -2.364 111.901 114.554 -0.481 0.000 2.927 49 T HA 0.747 4.616 4.350 -0.802 0.000 0.281 49 T C 0.585 175.054 174.700 -0.385 0.000 0.998 49 T CA -0.843 61.028 62.100 -0.382 0.000 1.019 49 T CB 2.056 70.744 68.868 -0.300 0.000 1.061 49 T HN 0.155 nan 8.240 nan 0.000 0.518 50 I N 0.670 121.074 120.570 -0.276 0.000 2.689 50 I HA 0.528 4.217 4.170 -0.802 0.000 0.299 50 I C -0.455 175.610 176.117 -0.088 0.000 1.059 50 I CA -0.913 60.273 61.300 -0.190 0.000 1.055 50 I CB 2.487 40.300 38.000 -0.311 0.000 1.243 50 I HN 0.696 nan 8.210 nan 0.000 0.425 51 Q N 3.651 123.473 119.800 0.036 0.000 2.345 51 Q HA 0.717 4.576 4.340 -0.802 0.000 0.275 51 Q C -2.145 173.843 176.000 -0.019 0.000 1.063 51 Q CA -0.629 55.207 55.803 0.055 0.000 0.819 51 Q CB 3.020 31.887 28.738 0.216 0.000 1.356 51 Q HN 0.478 nan 8.270 nan 0.000 0.418 52 V N 3.132 123.028 119.914 -0.031 0.000 2.709 52 V HA 0.618 4.257 4.120 -0.802 0.000 0.308 52 V C -1.017 175.124 176.094 0.078 0.000 1.062 52 V CA -0.797 61.500 62.300 -0.004 0.000 0.901 52 V CB 1.799 33.582 31.823 -0.066 0.000 1.003 52 V HN 0.934 nan 8.190 nan 0.000 0.425 53 N N 1.221 119.991 118.700 0.116 0.000 2.277 53 N HA 0.433 4.692 4.740 -0.802 0.000 0.286 53 N C -1.188 174.439 175.510 0.195 0.000 1.140 53 N CA -0.898 52.230 53.050 0.130 0.000 0.799 53 N CB 2.414 40.879 38.487 -0.036 0.000 1.596 53 N HN 0.686 nan 8.380 nan 0.000 0.473 54 E N 1.854 122.122 120.200 0.114 0.000 2.014 54 E HA 0.285 4.153 4.350 -0.802 0.000 0.275 54 E C -1.738 174.842 176.600 -0.033 0.000 0.997 54 E CA -2.273 54.071 56.400 -0.094 0.000 0.804 54 E CB 0.695 30.256 29.700 -0.232 0.000 1.090 54 E HN 0.519 nan 8.360 nan 0.000 0.401 55 P HA -0.231 nan 4.420 nan 0.000 0.217 55 P C 0.238 177.535 177.300 -0.005 0.000 1.151 55 P CA 1.077 64.178 63.100 0.001 0.000 0.849 55 P CB 0.177 31.890 31.700 0.022 0.000 0.787 63 L N 2.619 123.853 121.223 0.019 0.000 2.601 63 L HA -0.007 3.852 4.340 -0.802 0.000 0.277 63 L C 0.395 177.287 176.870 0.037 0.000 1.219 63 L CA 0.933 55.789 54.840 0.027 0.000 0.915 63 L CB -0.055 42.020 42.059 0.027 0.000 1.160 63 L HN 0.234 nan 8.230 nan 0.000 0.494 64 Q N 1.720 121.546 119.800 0.043 0.000 2.215 64 Q HA 0.419 4.278 4.340 -0.802 0.000 0.256 64 Q C 0.949 177.002 176.000 0.088 0.000 0.972 64 Q CA -0.049 55.786 55.803 0.054 0.000 0.889 64 Q CB 1.759 30.522 28.738 0.042 0.000 1.281 64 Q HN 0.852 nan 8.270 nan 0.000 0.456 65 G N 0.541 109.406 108.800 0.108 0.000 2.160 65 G HA2 -0.313 3.165 3.960 -0.802 0.000 0.251 65 G HA3 -0.313 3.165 3.960 -0.802 0.000 0.251 65 G C 0.647 175.725 174.900 0.296 0.000 1.008 65 G CA 0.792 46.000 45.100 0.180 0.000 0.724 65 G HN 0.719 nan 8.290 nan 0.000 0.514 66 T N -2.772 111.913 114.554 0.219 0.000 3.081 66 T HA 0.525 4.393 4.350 -0.802 0.000 0.255 66 T C 0.978 175.847 174.700 0.281 0.000 1.113 66 T CA 1.402 63.644 62.100 0.236 0.000 1.082 66 T CB 0.199 69.133 68.868 0.111 0.000 0.939 66 T HN 1.934 nan 8.240 nan 0.000 0.506 67 S N -0.197 115.640 115.700 0.229 0.000 2.567 67 S HA 0.684 4.672 4.470 -0.802 0.000 0.270 67 S C -1.620 173.053 174.600 0.122 0.000 1.152 67 S CA -1.190 57.116 58.200 0.176 0.000 0.835 67 S CB 1.137 64.395 63.200 0.097 0.000 1.115 67 S HN 0.284 nan 8.310 nan 0.000 0.459 68 I N 2.099 122.728 120.570 0.098 0.000 2.499 68 I HA 0.447 4.136 4.170 -0.802 0.000 0.288 68 I C 0.380 176.545 176.117 0.080 0.000 1.048 68 I CA -0.880 60.474 61.300 0.090 0.000 1.062 68 I CB 2.167 40.236 38.000 0.115 0.000 1.238 68 I HN 0.862 nan 8.210 nan 0.000 0.426 69 R N 5.544 126.081 120.500 0.061 0.000 2.738 69 R HA 0.261 4.119 4.340 -0.802 0.000 0.268 69 R C 0.038 176.439 176.300 0.169 0.000 1.062 69 R CA -0.555 55.573 56.100 0.047 0.000 1.158 69 R CB 0.786 31.055 30.300 -0.053 0.000 1.046 69 R HN 0.603 nan 8.270 nan 0.000 0.493 70 R N 2.430 122.971 120.500 0.067 0.000 2.404 70 R HA 0.023 3.882 4.340 -0.802 0.000 0.315 70 R C -0.778 175.576 176.300 0.090 0.000 1.032 70 R CA 0.274 56.385 56.100 0.019 0.000 0.992 70 R CB 0.109 30.309 30.300 -0.167 0.000 0.959 70 R HN 0.981 nan 8.270 nan 0.000 0.428 71 H N 2.052 121.031 119.070 -0.150 0.000 2.935 71 H HA 0.200 4.275 4.556 -0.802 0.000 0.297 71 H C -1.367 173.846 175.328 -0.190 0.000 1.423 71 H CA -1.104 54.851 56.048 -0.156 0.000 1.161 71 H CB 0.482 30.197 29.762 -0.079 0.000 1.841 71 H HN 0.534 nan 8.280 nan 0.000 0.506 72 R N 1.061 121.359 120.500 -0.335 0.000 2.389 72 R HA 0.429 4.288 4.340 -0.802 0.000 0.295 72 R C -0.055 176.021 176.300 -0.374 0.000 1.075 72 R CA -0.379 55.412 56.100 -0.515 0.000 1.005 72 R CB 0.560 30.235 30.300 -1.042 0.000 0.987 72 R HN 0.388 nan 8.270 nan 0.000 0.452 73 I N 2.624 123.089 120.570 -0.175 0.000 2.354 73 I HA 0.117 3.806 4.170 -0.802 0.000 0.292 73 I C 0.868 177.222 176.117 0.395 0.000 0.989 73 I CA -0.711 60.580 61.300 -0.015 0.000 1.188 73 I CB 1.878 39.710 38.000 -0.280 0.000 1.342 73 I HN 0.620 nan 8.210 nan 0.000 0.457 74 T N 4.696 119.424 114.554 0.289 0.000 2.926 74 T HA 0.373 4.241 4.350 -0.802 0.000 0.307 74 T C 0.182 174.849 174.700 -0.055 0.000 1.059 74 T CA -0.670 61.459 62.100 0.050 0.000 1.122 74 T CB 0.719 69.521 68.868 -0.110 0.000 0.972 74 T HN 0.297 nan 8.240 nan 0.000 0.545 75 L N 3.633 124.666 121.223 -0.317 0.000 2.473 75 L HA 0.301 4.159 4.340 -0.802 0.000 0.268 75 L C -1.457 175.279 176.870 -0.223 0.000 1.215 75 L CA -1.991 52.526 54.840 -0.539 0.000 0.823 75 L CB 0.031 41.745 42.059 -0.574 0.000 1.099 75 L HN 0.555 nan 8.230 nan 0.000 0.483 76 P HA 0.201 nan 4.420 nan 0.000 0.274 76 P C -2.640 174.612 177.300 -0.079 0.000 1.256 76 P CA -1.633 61.432 63.100 -0.058 0.000 0.795 76 P CB -0.234 31.461 31.700 -0.010 0.000 1.038 77 P HA 0.040 nan 4.420 nan 0.000 0.266 77 P C -1.505 175.764 177.300 -0.051 0.000 1.193 77 P CA -0.420 62.650 63.100 -0.050 0.000 0.770 77 P CB -0.739 30.943 31.700 -0.030 0.000 0.836 78 P HA 0.128 nan 4.420 nan 0.000 0.254 78 P C -0.512 176.746 177.300 -0.071 0.000 1.494 78 P CA 0.517 63.585 63.100 -0.053 0.000 0.961 78 P CB 0.341 32.017 31.700 -0.041 0.000 1.493 79 D N 0.694 121.037 120.400 -0.096 0.000 2.615 79 D HA 0.052 4.211 4.640 -0.802 0.000 0.236 79 D C 0.806 177.006 176.300 -0.167 0.000 1.233 79 D CA -0.065 53.861 54.000 -0.124 0.000 0.829 79 D CB 0.374 41.092 40.800 -0.136 0.000 1.024 79 D HN 0.347 nan 8.370 nan 0.000 0.490 80 E N 0.949 121.061 120.200 -0.146 0.000 2.515 80 E HA -0.112 3.757 4.350 -0.802 0.000 0.201 80 E C 1.237 177.696 176.600 -0.236 0.000 1.071 80 E CA 0.450 56.745 56.400 -0.175 0.000 0.880 80 E CB 0.185 29.817 29.700 -0.114 0.000 0.828 80 E HN 0.393 nan 8.360 nan 0.000 0.540 81 D N 0.162 120.436 120.400 -0.211 0.000 2.349 81 D HA -0.076 4.083 4.640 -0.802 0.000 0.215 81 D C 0.517 176.623 176.300 -0.323 0.000 1.016 81 D CA 0.297 54.161 54.000 -0.226 0.000 0.870 81 D CB 0.234 40.953 40.800 -0.135 0.000 0.917 81 D HN 0.150 nan 8.370 nan 0.000 0.524 82 Q N -0.794 118.798 119.800 -0.346 0.000 2.359 82 Q HA 0.508 4.367 4.340 -0.802 0.000 0.275 82 Q C -1.144 174.587 176.000 -0.447 0.000 1.082 82 Q CA -0.870 54.734 55.803 -0.332 0.000 0.849 82 Q CB 1.982 30.626 28.738 -0.158 0.000 1.377 82 Q HN -0.026 nan 8.270 nan 0.000 0.452 83 F N -0.107 119.818 119.950 -0.041 0.000 2.523 83 F HA 0.367 4.414 4.527 -0.801 0.000 0.329 83 F C -0.291 175.487 175.800 -0.037 0.000 1.061 83 F CA -0.821 57.166 58.000 -0.022 0.000 0.967 83 F CB 0.679 39.718 39.000 0.065 0.000 1.218 83 F HN 0.413 nan 8.300 nan 0.000 0.480 84 Y N 0.720 121.165 120.300 0.241 0.000 2.497 84 Y HA 0.300 4.368 4.550 -0.803 0.000 0.334 84 Y C 0.963 177.147 175.900 0.472 0.000 1.199 84 Y CA 0.041 58.225 58.100 0.141 0.000 1.425 84 Y CB 0.558 39.189 38.460 0.284 0.000 1.291 84 Y HN 0.610 nan 8.280 nan 0.000 0.562 85 T N -1.238 113.769 114.554 0.755 0.000 2.940 85 T HA 0.278 4.147 4.350 -0.802 0.000 0.288 85 T C 0.636 175.458 174.700 0.204 0.000 1.045 85 T CA -0.702 61.776 62.100 0.628 0.000 1.018 85 T CB 1.181 70.407 68.868 0.598 0.000 1.151 85 T HN 0.437 nan 8.240 nan 0.000 0.529 86 V N 0.514 120.144 119.914 -0.473 0.000 2.594 86 V HA -0.065 3.574 4.120 -0.802 0.000 0.253 86 V C 1.603 177.535 176.094 -0.270 0.000 1.069 86 V CA 1.434 63.209 62.300 -0.875 0.000 1.082 86 V CB -1.265 30.100 31.823 -0.762 0.000 0.680 86 V HN 0.884 nan 8.190 nan 0.000 0.469 87 Y N -0.492 119.829 120.300 0.035 0.000 2.616 87 Y HA -0.032 4.036 4.550 -0.804 0.000 0.296 87 Y C 2.154 177.996 175.900 -0.098 0.000 1.154 87 Y CA 1.298 59.384 58.100 -0.023 0.000 1.325 87 Y CB -0.506 37.903 38.460 -0.086 0.000 1.007 87 Y HN 0.503 nan 8.280 nan 0.000 0.542 88 H N -2.040 117.118 119.070 0.145 0.000 2.539 88 H HA 0.156 4.230 4.556 -0.803 0.000 0.269 88 H C -0.632 174.485 175.328 -0.352 0.000 0.980 88 H CA -0.031 55.993 56.048 -0.041 0.000 1.152 88 H CB 0.015 29.802 29.762 0.041 0.000 1.407 88 H HN 0.007 nan 8.280 nan 0.000 0.564 89 F N 0.722 120.586 119.950 -0.142 0.000 2.436 89 F HA 0.425 4.472 4.527 -0.800 0.000 0.340 89 F C 0.330 175.986 175.800 -0.239 0.000 1.113 89 F CA -0.798 56.956 58.000 -0.409 0.000 1.022 89 F CB 1.114 39.478 39.000 -1.061 0.000 1.128 89 F HN 0.015 nan 8.300 nan 0.000 0.466 90 N N 0.325 119.015 118.700 -0.017 0.000 3.127 90 N HA 0.289 4.547 4.740 -0.802 0.000 0.239 90 N C -1.685 173.907 175.510 0.136 0.000 1.407 90 N CA -0.442 52.683 53.050 0.124 0.000 0.891 90 N CB 2.240 40.778 38.487 0.084 0.000 1.447 90 N HN 0.229 nan 8.380 nan 0.000 0.507 91 V N 1.290 121.312 119.914 0.181 0.000 2.655 91 V HA 0.359 3.997 4.120 -0.802 0.000 0.300 91 V C 1.531 177.702 176.094 0.128 0.000 1.044 91 V CA 1.326 63.729 62.300 0.172 0.000 1.095 91 V CB 0.561 32.482 31.823 0.164 0.000 0.952 91 V HN 0.993 nan 8.190 nan 0.000 0.485 92 G N 3.607 112.490 108.800 0.138 0.000 2.143 92 G HA2 -0.214 3.265 3.960 -0.802 0.000 0.248 92 G HA3 -0.214 3.265 3.960 -0.802 0.000 0.248 92 G C 0.208 175.141 174.900 0.055 0.000 0.991 92 G CA 0.209 45.372 45.100 0.105 0.000 0.689 92 G HN 0.796 nan 8.290 nan 0.000 0.522 93 T N 0.467 115.040 114.554 0.031 0.000 2.885 93 T HA 0.597 4.466 4.350 -0.802 0.000 0.285 93 T C -0.259 174.399 174.700 -0.069 0.000 1.019 93 T CA -0.577 61.508 62.100 -0.026 0.000 1.010 93 T CB 2.061 70.896 68.868 -0.055 0.000 1.022 93 T HN 0.327 nan 8.240 nan 0.000 0.466 94 E N 1.184 121.327 120.200 -0.094 0.000 2.191 94 E HA 0.625 4.494 4.350 -0.802 0.000 0.274 94 E C -0.662 175.818 176.600 -0.200 0.000 0.948 94 E CA -0.985 55.333 56.400 -0.137 0.000 0.802 94 E CB 1.980 31.612 29.700 -0.112 0.000 1.137 94 E HN 0.449 nan 8.360 nan 0.000 0.397 95 V N -1.000 118.726 119.914 -0.314 0.000 2.823 95 V HA 0.652 4.290 4.120 -0.802 0.000 0.312 95 V C -0.598 175.210 176.094 -0.477 0.000 1.072 95 V CA -0.907 61.095 62.300 -0.497 0.000 0.937 95 V CB 1.840 33.041 31.823 -1.036 0.000 1.013 95 V HN 0.380 nan 8.190 nan 0.000 0.430 96 V N 4.095 123.836 119.914 -0.288 0.000 2.407 96 V HA 0.603 4.242 4.120 -0.802 0.000 0.291 96 V C -1.089 175.058 176.094 0.089 0.000 1.018 96 V CA -0.125 62.113 62.300 -0.104 0.000 0.842 96 V CB 1.110 32.949 31.823 0.027 0.000 0.996 96 V HN 0.737 nan 8.190 nan 0.000 0.426 97 F N 4.041 124.112 119.950 0.201 0.000 2.467 97 F HA 0.597 4.642 4.527 -0.802 0.000 0.336 97 F C 0.100 176.042 175.800 0.237 0.000 1.123 97 F CA -1.996 56.088 58.000 0.139 0.000 0.964 97 F CB 0.941 40.020 39.000 0.132 0.000 1.136 97 F HN 0.517 nan 8.300 nan 0.000 0.447 98 Y N 1.365 121.869 120.300 0.340 0.000 3.225 98 Y HA -0.114 3.954 4.550 -0.802 0.000 0.211 98 Y C 1.538 177.533 175.900 0.159 0.000 1.223 98 Y CA 1.060 59.291 58.100 0.219 0.000 1.284 98 Y CB -1.466 37.118 38.460 0.206 0.000 1.367 98 Y HN 1.017 nan 8.280 nan 0.000 0.566 99 G N -1.287 107.629 108.800 0.194 0.000 2.212 99 G HA2 -0.339 3.140 3.960 -0.802 0.000 0.266 99 G HA3 -0.339 3.140 3.960 -0.802 0.000 0.266 99 G C 0.331 175.274 174.900 0.072 0.000 0.978 99 G CA 0.195 45.365 45.100 0.117 0.000 0.632 99 G HN 0.299 nan 8.290 nan 0.000 0.537 100 R N 0.769 121.328 120.500 0.098 0.000 2.407 100 R HA 0.573 4.432 4.340 -0.802 0.000 0.303 100 R C -0.289 175.920 176.300 -0.151 0.000 0.981 100 R CA -0.387 55.675 56.100 -0.063 0.000 0.905 100 R CB 0.934 31.155 30.300 -0.132 0.000 1.099 100 R HN 0.131 nan 8.270 nan 0.000 0.459 101 T N 4.438 118.837 114.554 -0.257 0.000 2.727 101 T HA 0.371 4.240 4.350 -0.802 0.000 0.298 101 T C -0.157 174.291 174.700 -0.421 0.000 0.942 101 T CA -0.054 61.893 62.100 -0.255 0.000 0.997 101 T CB -0.095 68.659 68.868 -0.190 0.000 0.917 101 T HN 0.192 nan 8.240 nan 0.000 0.487 102 F N 2.715 122.449 119.950 -0.361 0.000 2.410 102 F HA 0.407 4.454 4.527 -0.800 0.000 0.349 102 F C 0.903 176.504 175.800 -0.332 0.000 1.117 102 F CA -1.009 56.783 58.000 -0.347 0.000 1.104 102 F CB 1.190 39.955 39.000 -0.392 0.000 1.122 102 F HN 0.219 nan 8.300 nan 0.000 0.483 103 K N 4.860 125.111 120.400 -0.247 0.000 2.281 103 K HA 0.458 4.297 4.320 -0.802 0.000 0.272 103 K C -0.647 175.963 176.600 0.017 0.000 1.048 103 K CA -0.261 55.866 56.287 -0.267 0.000 0.898 103 K CB 1.096 33.183 32.500 -0.688 0.000 1.128 103 K HN 0.529 nan 8.250 nan 0.000 0.460 104 I N 4.381 125.009 120.570 0.096 0.000 2.416 104 I HA 0.013 3.702 4.170 -0.802 0.000 0.288 104 I C 0.511 176.808 176.117 0.300 0.000 1.051 104 I CA -0.089 61.328 61.300 0.195 0.000 1.375 104 I CB 0.262 38.339 38.000 0.128 0.000 1.407 104 I HN 0.740 nan 8.210 nan 0.000 0.516 105 Y N 2.358 122.828 120.300 0.282 0.000 2.471 105 Y HA 0.540 4.609 4.550 -0.801 0.000 0.249 105 Y C -0.178 175.855 175.900 0.222 0.000 1.116 105 Y CA -0.636 57.622 58.100 0.264 0.000 1.240 105 Y CB 0.535 39.194 38.460 0.330 0.000 1.251 105 Y HN 0.480 nan 8.280 nan 0.000 0.527 106 D N 0.020 120.339 120.400 -0.135 0.000 2.764 106 D HA 0.506 4.665 4.640 -0.802 0.000 0.293 106 D C -1.725 174.549 176.300 -0.044 0.000 1.287 106 D CA -0.019 53.948 54.000 -0.056 0.000 0.768 106 D CB 1.839 42.593 40.800 -0.078 0.000 1.288 106 D HN 0.344 nan 8.370 nan 0.000 0.426 107 C N 0.441 119.718 119.300 -0.038 0.000 3.284 107 C HA 0.776 4.755 4.460 -0.802 0.000 0.338 107 C C -0.752 174.181 174.990 -0.094 0.000 1.237 107 C CA -0.962 57.977 59.018 -0.131 0.000 1.276 107 C CB 0.514 28.095 27.740 -0.266 0.000 1.601 107 C HN 0.683 nan 8.230 nan 0.000 0.494 108 D N 1.839 122.172 120.400 -0.111 0.000 2.384 108 D HA 0.480 4.639 4.640 -0.802 0.000 0.244 108 D C 1.268 177.558 176.300 -0.017 0.000 1.251 108 D CA 0.044 54.019 54.000 -0.043 0.000 0.961 108 D CB 0.671 41.453 40.800 -0.030 0.000 1.116 108 D HN 1.015 nan 8.370 nan 0.000 0.484 109 A N 0.039 122.870 122.820 0.020 0.000 1.908 109 A HA -0.160 3.679 4.320 -0.802 0.000 0.218 109 A C 1.962 179.572 177.584 0.042 0.000 1.181 109 A CA 1.411 53.465 52.037 0.028 0.000 0.627 109 A CB -1.213 17.810 19.000 0.038 0.000 0.818 109 A HN 0.615 nan 8.150 nan 0.000 0.445 110 F N 1.296 121.206 119.950 -0.066 0.000 2.095 110 F HA -0.184 3.858 4.527 -0.807 0.000 0.298 110 F C 2.492 178.256 175.800 -0.059 0.000 1.104 110 F CA 2.366 60.330 58.000 -0.060 0.000 1.232 110 F CB -0.511 38.431 39.000 -0.097 0.000 0.987 110 F HN 0.214 nan 8.300 nan 0.000 0.475 111 T N 0.428 115.005 114.554 0.038 0.000 2.777 111 T HA -0.141 3.728 4.350 -0.802 0.000 0.266 111 T C 1.990 176.644 174.700 -0.077 0.000 1.040 111 T CA 1.480 63.515 62.100 -0.108 0.000 1.141 111 T CB -0.251 68.410 68.868 -0.344 0.000 0.868 111 T HN 0.243 nan 8.240 nan 0.000 0.444 112 R N 1.174 121.636 120.500 -0.062 0.000 2.096 112 R HA -0.016 3.842 4.340 -0.802 0.000 0.235 112 R C 2.392 178.669 176.300 -0.039 0.000 1.127 112 R CA 1.209 57.295 56.100 -0.024 0.000 0.968 112 R CB -0.220 30.074 30.300 -0.011 0.000 0.861 112 R HN 0.326 nan 8.270 nan 0.000 0.440 113 N N 0.372 119.021 118.700 -0.085 0.000 2.142 113 N HA -0.167 4.091 4.740 -0.802 0.000 0.186 113 N C 1.524 176.950 175.510 -0.141 0.000 1.023 113 N CA 1.071 54.049 53.050 -0.121 0.000 0.852 113 N CB -0.319 38.068 38.487 -0.166 0.000 0.998 113 N HN 0.120 nan 8.380 nan 0.000 0.424 114 F N 2.023 121.778 119.950 -0.326 0.000 2.102 114 F HA -0.048 3.994 4.527 -0.808 0.000 0.298 114 F C 2.126 177.833 175.800 -0.155 0.000 1.105 114 F CA 1.036 58.866 58.000 -0.282 0.000 1.239 114 F CB -0.301 38.505 39.000 -0.323 0.000 0.991 114 F HN -0.077 nan 8.300 nan 0.000 0.474 115 L N 0.021 121.259 121.223 0.025 0.000 2.042 115 L HA -0.241 3.618 4.340 -0.802 0.000 0.210 115 L C 2.723 179.532 176.870 -0.102 0.000 1.076 115 L CA 1.696 56.525 54.840 -0.018 0.000 0.749 115 L CB -0.789 41.322 42.059 0.086 0.000 0.893 115 L HN 0.140 nan 8.230 nan 0.000 0.432 116 R N 0.889 121.333 120.500 -0.093 0.000 2.081 116 R HA -0.174 3.684 4.340 -0.802 0.000 0.235 116 R C 2.249 178.468 176.300 -0.135 0.000 1.131 116 R CA 1.436 57.485 56.100 -0.085 0.000 0.960 116 R CB -0.010 30.249 30.300 -0.068 0.000 0.856 116 R HN 0.311 nan 8.270 nan 0.000 0.436 117 K N 0.541 120.809 120.400 -0.220 0.000 2.209 117 K HA -0.108 3.731 4.320 -0.802 0.000 0.204 117 K C 1.791 178.228 176.600 -0.272 0.000 1.048 117 K CA 1.502 57.636 56.287 -0.254 0.000 0.940 117 K CB -0.126 32.175 32.500 -0.331 0.000 0.729 117 K HN 0.452 nan 8.250 nan 0.000 0.451 118 I N -3.221 117.147 120.570 -0.337 0.000 3.855 118 I HA 0.303 3.992 4.170 -0.802 0.000 0.327 118 I C 0.638 176.743 176.117 -0.020 0.000 1.359 118 I CA 0.098 61.276 61.300 -0.204 0.000 1.142 118 I CB 0.064 37.885 38.000 -0.299 0.000 1.041 118 I HN 0.152 nan 8.210 nan 0.000 0.403 119 G N 1.417 110.189 108.800 -0.046 0.000 2.148 119 G HA2 -0.218 3.261 3.960 -0.802 0.000 0.254 119 G HA3 -0.218 3.261 3.960 -0.802 0.000 0.254 119 G C 0.103 175.021 174.900 0.030 0.000 0.981 119 G CA 0.167 45.266 45.100 -0.002 0.000 0.670 119 G HN 0.332 nan 8.290 nan 0.000 0.528 120 V N 0.897 120.830 119.914 0.033 0.000 2.465 120 V HA 0.423 4.062 4.120 -0.802 0.000 0.279 120 V C 0.800 176.917 176.094 0.038 0.000 1.045 120 V CA -0.369 61.967 62.300 0.059 0.000 0.938 120 V CB 1.712 33.582 31.823 0.079 0.000 0.986 120 V HN 0.370 nan 8.190 nan 0.000 0.467 121 K N 4.615 125.039 120.400 0.041 0.000 2.284 121 K HA 0.412 4.251 4.320 -0.802 0.000 0.287 121 K C -0.741 175.890 176.600 0.051 0.000 1.081 121 K CA -0.467 55.841 56.287 0.035 0.000 0.910 121 K CB 1.057 33.573 32.500 0.027 0.000 1.088 121 K HN 0.513 nan 8.250 nan 0.000 0.478 122 V N 5.061 125.009 119.914 0.056 0.000 2.572 122 V HA -0.014 3.625 4.120 -0.802 0.000 0.291 122 V C 0.507 176.642 176.094 0.068 0.000 1.039 122 V CA -0.557 61.789 62.300 0.077 0.000 1.055 122 V CB 0.594 32.465 31.823 0.080 0.000 0.969 122 V HN 0.831 nan 8.190 nan 0.000 0.482 123 N N 6.123 124.869 118.700 0.078 0.000 2.415 123 N HA 0.246 4.504 4.740 -0.802 0.000 0.248 123 N C -2.062 173.492 175.510 0.073 0.000 1.271 123 N CA -0.850 52.241 53.050 0.069 0.000 0.913 123 N CB 0.335 38.864 38.487 0.070 0.000 1.129 123 N HN 0.465 nan 8.380 nan 0.000 0.444 124 P HA 0.250 nan 4.420 nan 0.000 0.273 124 P C -2.519 174.831 177.300 0.084 0.000 1.250 124 P CA -0.873 62.266 63.100 0.065 0.000 0.793 124 P CB -0.653 31.078 31.700 0.052 0.000 1.011 125 P HA -0.076 nan 4.420 nan 0.000 0.265 125 P C -0.925 176.440 177.300 0.109 0.000 1.187 125 P CA -0.056 63.109 63.100 0.109 0.000 0.766 125 P CB 0.342 32.099 31.700 0.094 0.000 0.820 126 V N 0.000 120.000 119.914 0.143 0.000 2.409 126 V HA 0.000 3.639 4.120 -0.802 0.000 0.244 126 V CA 0.000 62.379 62.300 0.132 0.000 1.235 126 V CB 0.000 31.937 31.823 0.190 0.000 1.184 126 V HN 0.000 nan 8.190 nan 0.000 0.556