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 1kcg_1_C DATA FIRST_RESID 9 DATA SEQUENCE DAHSLWYNFT IIHLPRHGQQ WcEVQSQVDQ KNFLSYDcGS DKVLSMGHLE DATA SEQUENCE EQLYATDAWG KQLEMLREVG QRLRLELADT EXXXXXXXXP LTLQVRMScE DATA SEQUENCE CEADGYIRGS WQFSFDGRKF LLFDSNNRKW TVVHAGARRM KEKWEKDSGL DATA SEQUENCE TTFFKMVSMR DcKSWLRDFL MHRKKRLE 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 9 D HA 0.000 nan 4.640 nan 0.000 0.175 9 D C 0.000 176.153 176.300 -0.244 0.000 2.045 9 D CA 0.000 53.901 54.000 -0.165 0.000 0.868 9 D CB 0.000 40.673 40.800 -0.212 0.000 0.688 10 A N -0.025 122.612 122.820 -0.305 0.000 2.355 10 A HA 0.717 5.036 4.320 -0.001 0.000 0.324 10 A C -1.014 176.315 177.584 -0.425 0.000 1.117 10 A CA -0.591 51.288 52.037 -0.263 0.000 0.785 10 A CB 1.176 20.115 19.000 -0.101 0.000 1.254 10 A HN 0.553 nan 8.150 nan 0.000 0.453 11 H N 0.400 119.452 119.070 -0.031 0.000 2.747 11 H HA 0.726 5.282 4.556 -0.000 0.000 0.371 11 H C -0.311 174.974 175.328 -0.072 0.000 1.161 11 H CA -0.042 55.968 56.048 -0.063 0.000 1.167 11 H CB 2.199 31.930 29.762 -0.052 0.000 1.732 11 H HN 0.869 nan 8.280 nan 0.000 0.544 12 S N 1.558 117.255 115.700 -0.004 0.000 2.661 12 S HA 0.678 5.148 4.470 -0.001 0.000 0.285 12 S C -1.359 173.147 174.600 -0.158 0.000 1.138 12 S CA -0.853 57.301 58.200 -0.077 0.000 0.855 12 S CB 2.324 65.438 63.200 -0.144 0.000 1.136 12 S HN 0.259 nan 8.310 nan 0.000 0.484 13 L N 1.445 122.634 121.223 -0.058 0.000 2.476 13 L HA 0.648 4.987 4.340 -0.001 0.000 0.269 13 L C -2.029 174.934 176.870 0.154 0.000 0.965 13 L CA -0.281 54.547 54.840 -0.019 0.000 0.845 13 L CB 1.609 43.764 42.059 0.160 0.000 1.259 13 L HN 0.849 nan 8.230 nan 0.000 0.403 14 W N 4.855 126.014 121.300 -0.235 0.000 2.532 14 W HA 0.506 5.166 4.660 -0.000 0.000 0.321 14 W C -1.098 175.134 176.519 -0.479 0.000 1.037 14 W CA -1.227 55.971 57.345 -0.245 0.000 1.220 14 W CB 1.030 30.398 29.460 -0.154 0.000 1.361 14 W HN 0.344 nan 8.180 nan 0.000 0.468 15 Y N 2.782 123.142 120.300 0.100 0.000 2.326 15 Y HA 0.299 4.849 4.550 -0.001 0.000 0.331 15 Y C 0.464 176.281 175.900 -0.138 0.000 0.962 15 Y CA -0.625 57.424 58.100 -0.086 0.000 1.167 15 Y CB 1.262 39.657 38.460 -0.109 0.000 1.148 15 Y HN 0.223 nan 8.280 nan 0.000 0.463 16 N N 4.737 123.385 118.700 -0.087 0.000 2.501 16 N HA 0.274 5.013 4.740 -0.001 0.000 0.245 16 N C -1.288 174.178 175.510 -0.074 0.000 0.974 16 N CA -0.266 52.761 53.050 -0.037 0.000 0.941 16 N CB 0.836 39.304 38.487 -0.032 0.000 1.122 16 N HN 0.429 nan 8.380 nan 0.000 0.507 17 F N 0.433 120.405 119.950 0.038 0.000 2.379 17 F HA 0.317 4.844 4.527 -0.001 0.000 0.332 17 F C 1.147 176.972 175.800 0.041 0.000 1.096 17 F CA -0.114 57.922 58.000 0.059 0.000 1.105 17 F CB 1.394 40.462 39.000 0.114 0.000 1.189 17 F HN 0.064 nan 8.300 nan 0.000 0.515 18 T N 4.106 118.805 114.554 0.243 0.000 2.985 18 T HA 0.526 4.876 4.350 -0.001 0.000 0.315 18 T C -0.597 174.216 174.700 0.188 0.000 1.001 18 T CA -0.377 61.817 62.100 0.157 0.000 1.016 18 T CB 0.376 69.294 68.868 0.083 0.000 0.993 18 T HN 0.272 nan 8.240 nan 0.000 0.454 19 I N 4.352 125.055 120.570 0.221 0.000 2.406 19 I HA 0.529 4.699 4.170 -0.001 0.000 0.290 19 I C -0.466 175.815 176.117 0.273 0.000 0.999 19 I CA -0.875 60.607 61.300 0.303 0.000 1.124 19 I CB 1.636 39.836 38.000 0.334 0.000 1.289 19 I HN 0.473 nan 8.210 nan 0.000 0.441 20 I N 5.174 125.939 120.570 0.326 0.000 2.378 20 I HA 0.296 4.465 4.170 -0.001 0.000 0.291 20 I C -0.044 176.246 176.117 0.288 0.000 0.992 20 I CA -0.591 60.868 61.300 0.264 0.000 1.154 20 I CB 1.364 39.487 38.000 0.205 0.000 1.315 20 I HN 0.588 nan 8.210 nan 0.000 0.448 21 H N 7.507 126.651 119.070 0.123 0.000 2.604 21 H HA 0.366 4.921 4.556 -0.001 0.000 0.306 21 H C -0.025 175.336 175.328 0.054 0.000 1.075 21 H CA -0.484 55.606 56.048 0.070 0.000 1.357 21 H CB 0.908 30.705 29.762 0.060 0.000 1.426 21 H HN 0.690 nan 8.280 nan 0.000 0.470 22 L N 4.086 125.158 121.223 -0.252 0.000 3.468 22 L HA -0.177 4.163 4.340 -0.001 0.000 0.537 22 L C -2.345 174.479 176.870 -0.077 0.000 1.321 22 L CA -0.530 54.164 54.840 -0.242 0.000 0.899 22 L CB -1.263 40.566 42.059 -0.384 0.000 1.635 22 L HN 0.650 nan 8.230 nan 0.000 0.856 23 P HA 0.010 nan 4.420 nan 0.000 0.264 23 P C 0.667 177.962 177.300 -0.009 0.000 1.183 23 P CA 0.435 63.563 63.100 0.046 0.000 0.763 23 P CB 0.626 32.388 31.700 0.103 0.000 0.807 24 R N 1.690 122.180 120.500 -0.017 0.000 2.064 24 R HA 0.024 4.364 4.340 -0.001 0.000 0.221 24 R C 1.531 177.667 176.300 -0.274 0.000 1.136 24 R CA 0.941 56.957 56.100 -0.141 0.000 0.980 24 R CB -0.115 30.096 30.300 -0.148 0.000 0.876 24 R HN 0.663 nan 8.270 nan 0.000 0.437 25 H N -1.723 117.358 119.070 0.018 0.000 4.843 25 H HA 0.200 4.756 4.556 -0.001 0.000 0.127 25 H C 1.247 176.586 175.328 0.018 0.000 1.386 25 H CA 0.623 56.681 56.048 0.015 0.000 1.034 25 H CB -0.277 29.493 29.762 0.013 0.000 1.573 25 H HN 0.207 nan 8.280 nan 0.000 0.331 26 G N 0.776 109.684 108.800 0.181 0.000 3.434 26 G HA2 0.060 4.019 3.960 -0.001 0.000 0.258 26 G HA3 0.060 4.019 3.960 -0.001 0.000 0.258 26 G C -0.010 174.934 174.900 0.073 0.000 1.128 26 G CA -0.219 44.937 45.100 0.093 0.000 0.792 26 G HN 0.294 nan 8.290 nan 0.000 0.539 27 Q N 1.084 120.940 119.800 0.093 0.000 2.300 27 Q HA 0.120 4.459 4.340 -0.001 0.000 0.280 27 Q C 0.167 176.208 176.000 0.068 0.000 1.033 27 Q CA 0.258 56.106 55.803 0.076 0.000 0.903 27 Q CB 0.580 29.375 28.738 0.096 0.000 1.195 27 Q HN 0.622 nan 8.270 nan 0.000 0.386 28 Q N 3.226 123.042 119.800 0.027 0.000 2.256 28 Q HA 0.076 4.416 4.340 -0.001 0.000 0.254 28 Q C 0.449 176.456 176.000 0.011 0.000 0.916 28 Q CA -0.676 55.116 55.803 -0.019 0.000 0.932 28 Q CB 0.648 29.313 28.738 -0.122 0.000 1.207 28 Q HN 0.911 nan 8.270 nan 0.000 0.426 29 W N 2.189 123.505 121.300 0.028 0.000 2.465 29 W HA 0.063 4.723 4.660 -0.000 0.000 0.268 29 W C -0.393 176.165 176.519 0.065 0.000 1.242 29 W CA -0.384 56.991 57.345 0.050 0.000 1.248 29 W CB -0.144 29.349 29.460 0.055 0.000 1.118 29 W HN 0.464 nan 8.180 nan 0.000 0.587 30 c N 2.660 120.789 118.600 -0.785 0.000 2.340 30 c HA 0.567 5.137 4.570 -0.001 0.000 0.323 30 c C -0.582 173.258 174.090 -0.416 0.000 1.260 30 c CA -0.387 55.491 56.329 -0.751 0.000 1.464 30 c CB 0.734 42.285 42.510 -1.598 0.000 2.156 30 c HN 0.340 nan 8.230 nan 0.000 0.476 31 E N 3.566 123.662 120.200 -0.173 0.000 2.331 31 E HA 0.755 5.104 4.350 -0.001 0.000 0.275 31 E C -1.739 174.806 176.600 -0.092 0.000 0.895 31 E CA -0.462 55.853 56.400 -0.141 0.000 0.753 31 E CB 2.080 31.726 29.700 -0.090 0.000 1.216 31 E HN 0.544 nan 8.360 nan 0.000 0.434 32 V N 1.967 121.792 119.914 -0.149 0.000 2.668 32 V HA 0.422 4.541 4.120 -0.001 0.000 0.304 32 V C -0.956 175.021 176.094 -0.196 0.000 1.071 32 V CA -1.036 61.107 62.300 -0.263 0.000 0.894 32 V CB 1.492 33.042 31.823 -0.455 0.000 1.008 32 V HN 0.640 nan 8.190 nan 0.000 0.425 33 Q N 1.768 121.452 119.800 -0.194 0.000 2.309 33 Q HA 0.823 5.162 4.340 -0.001 0.000 0.264 33 Q C -0.458 175.403 176.000 -0.231 0.000 1.008 33 Q CA -0.118 55.578 55.803 -0.179 0.000 0.853 33 Q CB 2.315 30.988 28.738 -0.108 0.000 1.314 33 Q HN 0.941 nan 8.270 nan 0.000 0.448 34 S N 1.586 117.072 115.700 -0.356 0.000 2.599 34 S HA 0.739 5.208 4.470 -0.001 0.000 0.294 34 S C -1.106 173.336 174.600 -0.263 0.000 1.094 34 S CA -0.958 56.956 58.200 -0.477 0.000 0.931 34 S CB 1.595 64.291 63.200 -0.840 0.000 1.093 34 S HN 0.468 nan 8.310 nan 0.000 0.488 35 Q N 0.749 120.528 119.800 -0.034 0.000 2.284 35 Q HA 0.566 4.905 4.340 -0.001 0.000 0.269 35 Q C -1.621 174.356 176.000 -0.039 0.000 1.026 35 Q CA -0.676 55.160 55.803 0.055 0.000 0.831 35 Q CB 2.221 30.914 28.738 -0.074 0.000 1.322 35 Q HN 0.479 nan 8.270 nan 0.000 0.419 36 V N 1.400 121.231 119.914 -0.138 0.000 2.435 36 V HA 0.284 4.404 4.120 -0.001 0.000 0.290 36 V C -0.156 175.750 176.094 -0.314 0.000 1.030 36 V CA -0.786 61.325 62.300 -0.315 0.000 0.881 36 V CB 1.472 32.995 31.823 -0.500 0.000 0.983 36 V HN 0.834 nan 8.190 nan 0.000 0.445 37 D N 3.720 123.938 120.400 -0.303 0.000 2.890 37 D HA -0.245 4.394 4.640 -0.001 0.000 0.226 37 D C 1.189 177.267 176.300 -0.370 0.000 1.207 37 D CA 1.509 55.350 54.000 -0.264 0.000 0.764 37 D CB -0.391 40.367 40.800 -0.071 0.000 0.948 37 D HN 1.057 nan 8.370 nan 0.000 0.404 38 Q N -1.874 117.514 119.800 -0.685 0.000 2.264 38 Q HA -0.314 4.026 4.340 -0.001 0.000 0.207 38 Q C -0.673 175.099 176.000 -0.379 0.000 0.702 38 Q CA 1.932 57.272 55.803 -0.773 0.000 1.411 38 Q CB 0.042 28.462 28.738 -0.530 0.000 1.717 38 Q HN 0.323 nan 8.270 nan 0.000 0.683 39 K N 0.924 121.153 120.400 -0.284 0.000 2.371 39 K HA 0.365 4.685 4.320 -0.001 0.000 0.251 39 K C -0.707 175.807 176.600 -0.143 0.000 0.934 39 K CA -0.786 55.398 56.287 -0.171 0.000 0.798 39 K CB 1.359 33.784 32.500 -0.125 0.000 1.204 39 K HN 0.188 nan 8.250 nan 0.000 0.427 40 N N 1.034 119.695 118.700 -0.064 0.000 2.189 40 N HA -0.128 4.612 4.740 -0.001 0.000 0.243 40 N C 0.497 176.029 175.510 0.036 0.000 1.235 40 N CA 0.967 54.005 53.050 -0.021 0.000 0.843 40 N CB -0.006 38.471 38.487 -0.015 0.000 1.089 40 N HN 0.689 nan 8.380 nan 0.000 0.454 41 F N -2.125 117.750 119.950 -0.126 0.000 3.086 41 F HA 0.400 4.926 4.527 -0.001 0.000 0.411 41 F C -1.199 174.635 175.800 0.056 0.000 1.033 41 F CA -0.724 57.241 58.000 -0.059 0.000 0.911 41 F CB 0.227 39.138 39.000 -0.148 0.000 1.496 41 F HN 0.303 nan 8.300 nan 0.000 0.527 42 L N 1.329 122.174 121.223 -0.631 0.000 2.611 42 L HA 0.733 5.073 4.340 -0.001 0.000 0.260 42 L C -1.537 175.138 176.870 -0.326 0.000 0.924 42 L CA -0.510 54.052 54.840 -0.464 0.000 0.901 42 L CB 2.105 43.728 42.059 -0.727 0.000 1.369 42 L HN 0.140 nan 8.230 nan 0.000 0.415 43 S N 4.025 119.645 115.700 -0.132 0.000 2.552 43 S HA 0.716 5.186 4.470 -0.001 0.000 0.314 43 S C -1.678 172.933 174.600 0.017 0.000 1.099 43 S CA -0.300 57.852 58.200 -0.080 0.000 1.070 43 S CB 0.590 63.757 63.200 -0.055 0.000 0.998 43 S HN 0.707 nan 8.310 nan 0.000 0.474 44 Y N 3.556 123.750 120.300 -0.177 0.000 2.421 44 Y HA 0.382 4.932 4.550 -0.001 0.000 0.339 44 Y C -0.785 175.019 175.900 -0.160 0.000 0.996 44 Y CA -0.822 57.183 58.100 -0.159 0.000 1.046 44 Y CB 1.412 39.753 38.460 -0.197 0.000 1.226 44 Y HN 0.607 nan 8.280 nan 0.000 0.445 45 D N 5.623 125.643 120.400 -0.635 0.000 2.435 45 D HA 0.066 4.706 4.640 -0.001 0.000 0.230 45 D C 0.850 176.527 176.300 -1.038 0.000 1.215 45 D CA -0.138 53.478 54.000 -0.640 0.000 0.947 45 D CB 0.270 40.811 40.800 -0.432 0.000 1.048 45 D HN 0.758 nan 8.370 nan 0.000 0.512 46 c N 1.787 119.908 118.600 -0.799 0.000 2.511 46 c HA 0.279 4.848 4.570 -0.001 0.000 0.277 46 c C 2.039 175.863 174.090 -0.444 0.000 1.451 46 c CA -0.007 56.005 56.329 -0.527 0.000 1.735 46 c CB -1.106 41.383 42.510 -0.035 0.000 1.704 46 c HN 0.586 nan 8.230 nan 0.000 0.571 47 G N 0.985 109.395 108.800 -0.650 0.000 2.656 47 G HA2 0.168 4.128 3.960 -0.001 0.000 0.211 47 G HA3 0.168 4.128 3.960 -0.001 0.000 0.211 47 G C 1.363 176.175 174.900 -0.146 0.000 1.137 47 G CA 0.911 45.700 45.100 -0.519 0.000 0.802 47 G HN 0.709 nan 8.290 nan 0.000 0.527 48 S N -0.323 115.239 115.700 -0.230 0.000 2.846 48 S HA 0.215 4.685 4.470 -0.001 0.000 0.249 48 S C 0.143 174.675 174.600 -0.114 0.000 1.028 48 S CA 0.370 58.505 58.200 -0.110 0.000 1.043 48 S CB 0.412 63.554 63.200 -0.097 0.000 0.990 48 S HN 0.133 nan 8.310 nan 0.000 0.564 49 D N 1.613 121.900 120.400 -0.187 0.000 2.927 49 D HA -0.187 4.453 4.640 -0.001 0.000 0.236 49 D C -0.437 175.849 176.300 -0.023 0.000 1.163 49 D CA 1.092 55.061 54.000 -0.052 0.000 0.801 49 D CB -0.959 39.893 40.800 0.087 0.000 0.975 49 D HN 0.773 nan 8.370 nan 0.000 0.413 50 K N 1.048 121.310 120.400 -0.230 0.000 2.581 50 K HA 0.417 4.736 4.320 -0.001 0.000 0.249 50 K C -0.764 175.871 176.600 0.058 0.000 0.966 50 K CA -0.864 55.400 56.287 -0.038 0.000 0.811 50 K CB 1.592 34.040 32.500 -0.086 0.000 1.223 50 K HN -0.083 nan 8.250 nan 0.000 0.438 51 V N 6.601 126.656 119.914 0.236 0.000 2.521 51 V HA 0.071 4.191 4.120 -0.001 0.000 0.286 51 V C 1.100 177.250 176.094 0.094 0.000 1.034 51 V CA 0.096 62.546 62.300 0.250 0.000 1.045 51 V CB 0.904 32.864 31.823 0.228 0.000 0.974 51 V HN 0.830 nan 8.190 nan 0.000 0.480 52 L N 3.578 124.835 121.223 0.056 0.000 2.388 52 L HA 0.215 4.555 4.340 -0.001 0.000 0.209 52 L C 0.729 177.604 176.870 0.009 0.000 1.061 52 L CA 0.718 55.561 54.840 0.006 0.000 0.834 52 L CB 0.486 42.529 42.059 -0.027 0.000 1.029 52 L HN 0.827 nan 8.230 nan 0.000 0.473 53 S N 0.122 115.832 115.700 0.017 0.000 2.441 53 S HA 0.250 4.720 4.470 -0.001 0.000 0.187 53 S C -0.403 174.211 174.600 0.023 0.000 0.917 53 S CA -0.704 57.504 58.200 0.013 0.000 1.078 53 S CB -0.002 63.198 63.200 0.001 0.000 1.379 53 S HN 0.269 nan 8.310 nan 0.000 0.399 54 M N 1.585 121.217 119.600 0.053 0.000 3.396 54 M HA 0.592 5.072 4.480 -0.001 0.000 0.255 54 M C 0.540 176.906 176.300 0.109 0.000 1.398 54 M CA -0.364 54.992 55.300 0.093 0.000 1.554 54 M CB -0.428 32.291 32.600 0.198 0.000 1.070 54 M HN 0.584 nan 8.290 nan 0.000 0.587 55 G N 0.866 109.722 108.800 0.094 0.000 2.554 55 G HA2 0.145 4.104 3.960 -0.001 0.000 0.238 55 G HA3 0.145 4.104 3.960 -0.001 0.000 0.238 55 G C 0.070 175.122 174.900 0.254 0.000 1.259 55 G CA -0.008 45.167 45.100 0.125 0.000 0.843 55 G HN 0.951 nan 8.290 nan 0.000 0.582 56 H N -0.144 118.960 119.070 0.057 0.000 3.177 56 H HA -0.119 4.437 4.556 -0.001 0.000 0.264 56 H C 0.175 175.528 175.328 0.042 0.000 1.295 56 H CA -0.150 55.928 56.048 0.050 0.000 1.196 56 H CB -1.016 28.794 29.762 0.080 0.000 1.251 56 H HN 0.372 nan 8.280 nan 0.000 0.384 57 L N 1.830 123.093 121.223 0.066 0.000 2.855 57 L HA 0.071 4.411 4.340 -0.001 0.000 0.245 57 L C 1.075 177.952 176.870 0.012 0.000 1.276 57 L CA 1.118 56.016 54.840 0.097 0.000 1.118 57 L CB -0.231 41.895 42.059 0.113 0.000 1.444 57 L HN 0.317 nan 8.230 nan 0.000 0.440 58 E N -2.026 118.135 120.200 -0.065 0.000 2.734 58 E HA 0.190 4.539 4.350 -0.001 0.000 0.211 58 E C 0.574 177.128 176.600 -0.076 0.000 0.991 58 E CA 0.017 56.368 56.400 -0.082 0.000 1.065 58 E CB 0.229 29.855 29.700 -0.125 0.000 1.047 58 E HN 0.374 nan 8.360 nan 0.000 0.470 59 E N 0.677 120.826 120.200 -0.085 0.000 2.712 59 E HA 0.045 4.395 4.350 -0.001 0.000 0.221 59 E C -0.559 175.932 176.600 -0.182 0.000 0.943 59 E CA -0.155 56.201 56.400 -0.074 0.000 1.259 59 E CB 0.432 30.105 29.700 -0.045 0.000 1.167 59 E HN 0.132 nan 8.360 nan 0.000 0.569 60 Q N 1.139 120.690 119.800 -0.415 0.000 2.429 60 Q HA -0.219 4.120 4.340 -0.001 0.000 0.365 60 Q C 0.803 176.178 176.000 -1.041 0.000 1.384 60 Q CA 0.167 55.329 55.803 -1.068 0.000 1.089 60 Q CB -1.354 26.985 28.738 -0.663 0.000 1.264 60 Q HN 0.436 nan 8.270 nan 0.000 0.342 61 L N -0.137 120.555 121.223 -0.885 0.000 2.156 61 L HA -0.089 4.251 4.340 -0.001 0.000 0.208 61 L C 1.240 177.713 176.870 -0.661 0.000 1.095 61 L CA 0.819 55.207 54.840 -0.753 0.000 0.770 61 L CB -0.401 41.229 42.059 -0.715 0.000 0.914 61 L HN 0.517 nan 8.230 nan 0.000 0.439 62 Y N -0.978 118.781 120.300 -0.902 0.000 2.357 62 Y HA 0.455 5.004 4.550 -0.001 0.000 0.340 62 Y C 0.820 176.403 175.900 -0.529 0.000 1.260 62 Y CA -1.045 56.305 58.100 -1.250 0.000 1.425 62 Y CB 0.162 37.694 38.460 -1.547 0.000 1.326 62 Y HN 0.039 nan 8.280 nan 0.000 0.580 63 A N 0.362 123.080 122.820 -0.169 0.000 3.232 63 A HA -0.102 4.218 4.320 -0.001 0.000 0.238 63 A C 0.034 177.563 177.584 -0.092 0.000 1.344 63 A CA 0.771 52.760 52.037 -0.080 0.000 0.875 63 A CB -2.359 16.569 19.000 -0.120 0.000 1.070 63 A HN 0.969 nan 8.150 nan 0.000 0.653 64 T N -1.239 113.309 114.554 -0.009 0.000 2.909 64 T HA 0.478 4.828 4.350 -0.001 0.000 0.299 64 T C 0.608 175.406 174.700 0.163 0.000 1.073 64 T CA 0.214 62.354 62.100 0.066 0.000 0.999 64 T CB 1.777 70.717 68.868 0.119 0.000 1.098 64 T HN 0.350 nan 8.240 nan 0.000 0.477 65 D N 1.901 122.384 120.400 0.138 0.000 2.178 65 D HA -0.033 4.607 4.640 -0.001 0.000 0.202 65 D C 2.063 178.443 176.300 0.133 0.000 0.974 65 D CA 1.427 55.502 54.000 0.126 0.000 0.841 65 D CB 0.075 40.935 40.800 0.099 0.000 0.953 65 D HN 0.578 nan 8.370 nan 0.000 0.478 66 A N 0.403 123.316 122.820 0.154 0.000 1.972 66 A HA -0.159 4.161 4.320 -0.001 0.000 0.219 66 A C 2.167 179.751 177.584 -0.001 0.000 1.169 66 A CA 1.082 53.162 52.037 0.072 0.000 0.635 66 A CB -1.335 17.664 19.000 -0.000 0.000 0.810 66 A HN 0.620 nan 8.150 nan 0.000 0.446 67 W N 0.714 122.052 121.300 0.063 0.000 2.317 67 W HA -0.221 4.439 4.660 0.001 0.000 0.318 67 W C 2.062 178.498 176.519 -0.138 0.000 1.227 67 W CA 2.221 59.573 57.345 0.010 0.000 1.269 67 W CB -0.697 28.787 29.460 0.041 0.000 1.155 67 W HN 0.361 nan 8.180 nan 0.000 0.484 68 G N 0.579 109.400 108.800 0.035 0.000 2.394 68 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.215 68 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.215 68 G C 1.604 176.388 174.900 -0.193 0.000 1.165 68 G CA 0.802 45.858 45.100 -0.073 0.000 0.784 68 G HN 0.083 nan 8.290 nan 0.000 0.535 69 K N 0.541 120.840 120.400 -0.168 0.000 2.032 69 K HA -0.152 4.168 4.320 -0.001 0.000 0.209 69 K C 2.429 178.770 176.600 -0.432 0.000 1.048 69 K CA 1.433 57.630 56.287 -0.149 0.000 0.927 69 K CB -0.723 31.779 32.500 0.003 0.000 0.712 69 K HN 0.563 nan 8.250 nan 0.000 0.441 70 Q N 1.048 120.261 119.800 -0.978 0.000 2.045 70 Q HA -0.177 4.163 4.340 -0.001 0.000 0.206 70 Q C 2.205 177.646 176.000 -0.932 0.000 0.991 70 Q CA 1.558 56.381 55.803 -1.634 0.000 0.851 70 Q CB -0.168 27.703 28.738 -1.444 0.000 0.911 70 Q HN 0.285 nan 8.270 nan 0.000 0.418 71 L N 0.318 121.072 121.223 -0.782 0.000 2.083 71 L HA -0.182 4.157 4.340 -0.001 0.000 0.209 71 L C 2.572 179.280 176.870 -0.269 0.000 1.083 71 L CA 1.490 55.926 54.840 -0.673 0.000 0.752 71 L CB -0.515 41.106 42.059 -0.729 0.000 0.899 71 L HN 0.380 nan 8.230 nan 0.000 0.433 72 E N 0.329 120.416 120.200 -0.189 0.000 2.023 72 E HA -0.255 4.095 4.350 -0.001 0.000 0.196 72 E C 2.339 178.975 176.600 0.060 0.000 1.003 72 E CA 1.475 57.863 56.400 -0.019 0.000 0.809 72 E CB -0.004 29.698 29.700 0.004 0.000 0.755 72 E HN 0.190 nan 8.360 nan 0.000 0.449 73 M N 0.115 119.750 119.600 0.058 0.000 2.159 73 M HA -0.112 4.368 4.480 -0.001 0.000 0.263 73 M C 2.334 178.786 176.300 0.254 0.000 1.063 73 M CA 1.216 56.649 55.300 0.221 0.000 1.110 73 M CB -0.728 32.113 32.600 0.401 0.000 1.374 73 M HN 0.272 nan 8.290 nan 0.000 0.411 74 L N -0.957 120.343 121.223 0.127 0.000 2.079 74 L HA -0.243 4.096 4.340 -0.001 0.000 0.210 74 L C 2.648 179.773 176.870 0.425 0.000 1.081 74 L CA 1.225 56.251 54.840 0.309 0.000 0.752 74 L CB -0.599 41.492 42.059 0.053 0.000 0.896 74 L HN 0.313 nan 8.230 nan 0.000 0.433 75 R N -0.167 120.516 120.500 0.306 0.000 2.073 75 R HA -0.178 4.162 4.340 -0.001 0.000 0.229 75 R C 2.230 178.694 176.300 0.273 0.000 1.120 75 R CA 1.416 57.689 56.100 0.288 0.000 0.967 75 R CB -0.197 30.241 30.300 0.230 0.000 0.862 75 R HN 0.384 nan 8.270 nan 0.000 0.436 76 E N 0.576 120.925 120.200 0.249 0.000 2.077 76 E HA -0.152 4.198 4.350 -0.001 0.000 0.193 76 E C 1.854 178.608 176.600 0.257 0.000 0.989 76 E CA 1.146 57.676 56.400 0.217 0.000 0.800 76 E CB 0.171 30.012 29.700 0.235 0.000 0.746 76 E HN 0.054 nan 8.360 nan 0.000 0.452 77 V N 0.594 120.743 119.914 0.392 0.000 2.343 77 V HA -0.184 3.935 4.120 -0.001 0.000 0.247 77 V C 2.367 178.548 176.094 0.146 0.000 1.051 77 V CA 1.869 64.395 62.300 0.377 0.000 1.036 77 V CB -0.845 31.152 31.823 0.290 0.000 0.654 77 V HN 0.531 nan 8.190 nan 0.000 0.451 78 G N -1.009 107.915 108.800 0.207 0.000 2.422 78 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.218 78 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.218 78 G C 1.486 176.652 174.900 0.443 0.000 1.146 78 G CA 0.695 45.989 45.100 0.323 0.000 0.769 78 G HN 0.558 nan 8.290 nan 0.000 0.547 79 Q N -0.357 119.645 119.800 0.336 0.000 2.123 79 Q HA 0.029 4.369 4.340 -0.001 0.000 0.199 79 Q C 2.842 178.839 176.000 -0.006 0.000 0.966 79 Q CA 0.466 56.365 55.803 0.160 0.000 0.845 79 Q CB -0.115 28.691 28.738 0.113 0.000 0.907 79 Q HN 0.231 nan 8.270 nan 0.000 0.439 80 R N 0.770 121.241 120.500 -0.049 0.000 2.073 80 R HA -0.063 4.277 4.340 -0.001 0.000 0.234 80 R C 2.313 178.557 176.300 -0.095 0.000 1.134 80 R CA 1.021 57.013 56.100 -0.181 0.000 0.952 80 R CB -0.630 29.448 30.300 -0.371 0.000 0.850 80 R HN 0.299 nan 8.270 nan 0.000 0.433 81 L N 0.199 121.436 121.223 0.024 0.000 2.131 81 L HA -0.138 4.202 4.340 -0.001 0.000 0.210 81 L C 2.847 179.773 176.870 0.094 0.000 1.092 81 L CA 1.072 55.972 54.840 0.100 0.000 0.759 81 L CB -0.404 41.753 42.059 0.164 0.000 0.903 81 L HN 0.132 nan 8.230 nan 0.000 0.435 82 R N 0.399 120.934 120.500 0.059 0.000 2.080 82 R HA -0.153 4.187 4.340 -0.001 0.000 0.236 82 R C 2.281 178.519 176.300 -0.103 0.000 1.137 82 R CA 1.551 57.619 56.100 -0.053 0.000 0.943 82 R CB -0.481 29.619 30.300 -0.333 0.000 0.846 82 R HN 0.366 nan 8.270 nan 0.000 0.431 83 L N 0.555 121.707 121.223 -0.117 0.000 2.046 83 L HA -0.169 4.170 4.340 -0.001 0.000 0.208 83 L C 2.426 179.251 176.870 -0.075 0.000 1.077 83 L CA 1.147 55.917 54.840 -0.118 0.000 0.747 83 L CB -0.515 41.467 42.059 -0.128 0.000 0.896 83 L HN 0.117 nan 8.230 nan 0.000 0.432 84 E N 0.296 120.481 120.200 -0.025 0.000 2.110 84 E HA -0.181 4.168 4.350 -0.001 0.000 0.193 84 E C 2.279 178.951 176.600 0.121 0.000 0.988 84 E CA 0.939 57.391 56.400 0.087 0.000 0.804 84 E CB -0.250 29.541 29.700 0.151 0.000 0.745 84 E HN 0.438 nan 8.360 nan 0.000 0.458 85 L N 0.219 121.492 121.223 0.084 0.000 2.201 85 L HA -0.102 4.237 4.340 -0.001 0.000 0.212 85 L C 2.095 178.829 176.870 -0.226 0.000 1.105 85 L CA 0.997 55.864 54.840 0.045 0.000 0.775 85 L CB -0.246 41.860 42.059 0.078 0.000 0.913 85 L HN 0.046 nan 8.230 nan 0.000 0.440 86 A N -1.098 121.538 122.820 -0.305 0.000 2.066 86 A HA -0.198 4.121 4.320 -0.001 0.000 0.218 86 A C 1.077 178.495 177.584 -0.277 0.000 1.157 86 A CA 1.442 53.182 52.037 -0.495 0.000 0.670 86 A CB -0.264 18.577 19.000 -0.265 0.000 0.804 86 A HN 0.448 nan 8.150 nan 0.000 0.453 87 D N 0.158 120.470 120.400 -0.145 0.000 2.943 87 D HA 0.230 4.869 4.640 -0.001 0.000 0.347 87 D C 0.594 176.851 176.300 -0.072 0.000 1.305 87 D CA 0.306 54.253 54.000 -0.089 0.000 0.870 87 D CB -0.061 40.704 40.800 -0.058 0.000 1.081 87 D HN 0.354 nan 8.370 nan 0.000 0.492 88 T N -2.158 112.339 114.554 -0.096 0.000 2.753 88 T HA 0.377 4.727 4.350 -0.001 0.000 0.309 88 T C 0.676 175.288 174.700 -0.147 0.000 1.043 88 T CA -0.707 61.321 62.100 -0.120 0.000 0.964 88 T CB 1.181 69.973 68.868 -0.127 0.000 1.206 88 T HN -0.013 nan 8.240 nan 0.000 0.528 99 L N 1.579 122.878 121.223 0.126 0.000 2.499 99 L HA 0.334 4.673 4.340 -0.001 0.000 0.273 99 L C -0.113 176.862 176.870 0.176 0.000 1.195 99 L CA 0.678 55.618 54.840 0.166 0.000 0.882 99 L CB 0.390 42.582 42.059 0.223 0.000 1.133 99 L HN 0.645 nan 8.230 nan 0.000 0.483 100 T N 2.828 117.472 114.554 0.150 0.000 2.842 100 T HA 0.379 4.729 4.350 -0.001 0.000 0.308 100 T C -0.498 174.250 174.700 0.080 0.000 1.041 100 T CA -0.735 61.440 62.100 0.126 0.000 0.964 100 T CB 1.375 70.304 68.868 0.100 0.000 0.972 100 T HN 0.297 nan 8.240 nan 0.000 0.460 101 L N 3.506 124.765 121.223 0.059 0.000 2.255 101 L HA 0.440 4.780 4.340 -0.001 0.000 0.289 101 L C -0.263 176.599 176.870 -0.013 0.000 1.046 101 L CA -0.153 54.624 54.840 -0.104 0.000 0.816 101 L CB 0.817 42.838 42.059 -0.062 0.000 1.197 101 L HN 0.693 nan 8.230 nan 0.000 0.427 102 Q N 4.190 123.959 119.800 -0.053 0.000 2.340 102 Q HA 0.622 4.961 4.340 -0.001 0.000 0.259 102 Q C -1.198 174.805 176.000 0.005 0.000 0.964 102 Q CA -0.530 55.287 55.803 0.023 0.000 0.900 102 Q CB 2.251 31.004 28.738 0.024 0.000 1.228 102 Q HN 0.532 nan 8.270 nan 0.000 0.449 103 V N 2.895 122.849 119.914 0.066 0.000 2.604 103 V HA 0.521 4.641 4.120 -0.001 0.000 0.305 103 V C -0.444 175.670 176.094 0.034 0.000 1.043 103 V CA -0.862 61.422 62.300 -0.027 0.000 0.888 103 V CB 2.068 33.884 31.823 -0.012 0.000 0.995 103 V HN 0.651 nan 8.190 nan 0.000 0.429 104 R N 4.868 125.284 120.500 -0.139 0.000 2.409 104 R HA 0.547 4.887 4.340 -0.001 0.000 0.313 104 R C -1.171 174.906 176.300 -0.372 0.000 0.953 104 R CA -0.574 55.428 56.100 -0.164 0.000 0.849 104 R CB 1.483 31.650 30.300 -0.222 0.000 1.171 104 R HN 0.733 nan 8.270 nan 0.000 0.458 105 M N 3.519 122.868 119.600 -0.417 0.000 2.336 105 M HA 0.333 4.812 4.480 -0.001 0.000 0.342 105 M C -1.274 174.816 176.300 -0.351 0.000 1.128 105 M CA -0.069 54.694 55.300 -0.895 0.000 1.016 105 M CB 1.638 33.429 32.600 -1.348 0.000 1.665 105 M HN 0.733 nan 8.290 nan 0.000 0.445 106 S N 4.320 119.811 115.700 -0.347 0.000 2.564 106 S HA 0.855 5.324 4.470 -0.001 0.000 0.274 106 S C -0.827 173.749 174.600 -0.041 0.000 1.124 106 S CA -0.812 57.359 58.200 -0.049 0.000 0.869 106 S CB 1.325 64.494 63.200 -0.053 0.000 1.105 106 S HN 1.021 nan 8.310 nan 0.000 0.472 107 c N 0.053 118.691 118.600 0.063 0.000 2.783 107 c HA 0.930 5.500 4.570 -0.001 0.000 0.312 107 c C -1.178 172.942 174.090 0.050 0.000 1.182 107 c CA -0.535 55.796 56.329 0.004 0.000 1.432 107 c CB 0.566 43.045 42.510 -0.051 0.000 1.933 107 c HN 1.036 nan 8.230 nan 0.000 0.473 108 E N 1.169 121.376 120.200 0.011 0.000 2.278 108 E HA 0.498 4.847 4.350 -0.001 0.000 0.272 108 E C -1.259 175.342 176.600 0.001 0.000 0.890 108 E CA -0.400 56.019 56.400 0.030 0.000 0.770 108 E CB 1.823 31.561 29.700 0.063 0.000 1.212 108 E HN 0.797 nan 8.360 nan 0.000 0.415 109 C N 2.885 122.199 119.300 0.024 0.000 2.295 109 C HA 0.326 4.786 4.460 -0.001 0.000 0.331 109 C C 0.851 175.859 174.990 0.030 0.000 1.280 109 C CA -0.668 58.367 59.018 0.028 0.000 1.746 109 C CB -0.196 27.573 27.740 0.047 0.000 2.328 109 C HN 0.784 nan 8.230 nan 0.000 0.521 110 E N 1.367 121.598 120.200 0.052 0.000 4.034 110 E HA 0.376 4.726 4.350 -0.001 0.000 0.297 110 E C 1.070 177.683 176.600 0.022 0.000 1.372 110 E CA -0.410 56.015 56.400 0.043 0.000 1.555 110 E CB 0.402 30.166 29.700 0.106 0.000 1.488 110 E HN 0.702 nan 8.360 nan 0.000 0.782 111 A N 0.587 123.414 122.820 0.012 0.000 2.167 111 A HA -0.117 4.203 4.320 -0.001 0.000 0.214 111 A C 1.111 178.705 177.584 0.016 0.000 1.151 111 A CA 1.655 53.693 52.037 0.002 0.000 0.735 111 A CB -0.538 18.456 19.000 -0.011 0.000 0.802 111 A HN 0.554 nan 8.150 nan 0.000 0.467 112 D N -3.382 117.038 120.400 0.033 0.000 2.394 112 D HA 0.351 4.991 4.640 -0.001 0.000 0.226 112 D C 1.254 177.585 176.300 0.052 0.000 0.990 112 D CA 1.065 55.086 54.000 0.033 0.000 0.902 112 D CB -0.153 40.660 40.800 0.022 0.000 1.038 112 D HN 0.519 nan 8.370 nan 0.000 0.499 113 G N -0.848 108.000 108.800 0.080 0.000 2.425 113 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.177 113 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.177 113 G C -0.298 174.667 174.900 0.108 0.000 0.999 113 G CA -0.372 44.771 45.100 0.071 0.000 0.723 113 G HN 0.316 nan 8.290 nan 0.000 0.491 114 Y N 1.611 121.904 120.300 -0.011 0.000 2.762 114 Y HA 0.214 4.763 4.550 -0.001 0.000 0.378 114 Y C 0.716 176.609 175.900 -0.012 0.000 1.374 114 Y CA -0.574 57.519 58.100 -0.012 0.000 1.893 114 Y CB -0.147 38.305 38.460 -0.012 0.000 1.426 114 Y HN 0.180 nan 8.280 nan 0.000 0.452 115 I N 6.457 126.931 120.570 -0.160 0.000 2.416 115 I HA 0.144 4.314 4.170 -0.001 0.000 0.288 115 I C -0.257 175.659 176.117 -0.336 0.000 1.051 115 I CA -0.034 61.152 61.300 -0.190 0.000 1.375 115 I CB 0.475 38.405 38.000 -0.117 0.000 1.407 115 I HN 0.410 nan 8.210 nan 0.000 0.516 116 R N 5.247 125.588 120.500 -0.265 0.000 2.265 116 R HA 0.599 4.939 4.340 -0.001 0.000 0.328 116 R C -0.179 176.034 176.300 -0.145 0.000 0.969 116 R CA -0.551 55.395 56.100 -0.256 0.000 0.832 116 R CB 1.306 31.488 30.300 -0.196 0.000 1.139 116 R HN 0.820 nan 8.270 nan 0.000 0.457 117 G N 1.119 109.838 108.800 -0.134 0.000 2.417 117 G HA2 0.468 4.428 3.960 -0.001 0.000 0.320 117 G HA3 0.468 4.428 3.960 -0.001 0.000 0.320 117 G C -0.671 174.201 174.900 -0.046 0.000 1.204 117 G CA -0.333 44.722 45.100 -0.074 0.000 0.923 117 G HN 0.562 nan 8.290 nan 0.000 0.466 118 S N 0.805 116.471 115.700 -0.057 0.000 2.607 118 S HA 0.777 5.247 4.470 -0.001 0.000 0.273 118 S C -1.778 172.784 174.600 -0.065 0.000 1.148 118 S CA -1.017 57.190 58.200 0.011 0.000 0.833 118 S CB 1.657 64.823 63.200 -0.058 0.000 1.130 118 S HN 0.578 nan 8.310 nan 0.000 0.470 119 W N 0.447 121.722 121.300 -0.042 0.000 2.844 119 W HA 0.635 5.295 4.660 -0.001 0.000 0.340 119 W C -0.523 175.888 176.519 -0.181 0.000 1.093 119 W CA -0.391 56.833 57.345 -0.202 0.000 1.212 119 W CB 1.964 31.227 29.460 -0.327 0.000 1.422 119 W HN 0.691 nan 8.180 nan 0.000 0.515 120 Q N 2.268 121.959 119.800 -0.182 0.000 2.292 120 Q HA 0.480 4.819 4.340 -0.001 0.000 0.270 120 Q C -1.522 174.353 176.000 -0.210 0.000 1.024 120 Q CA -0.824 54.947 55.803 -0.054 0.000 0.768 120 Q CB 2.173 30.873 28.738 -0.063 0.000 1.250 120 Q HN 0.281 nan 8.270 nan 0.000 0.447 121 F N 0.491 120.586 119.950 0.242 0.000 2.458 121 F HA 0.553 5.079 4.527 -0.001 0.000 0.336 121 F C 0.356 176.238 175.800 0.138 0.000 1.114 121 F CA -0.502 57.599 58.000 0.169 0.000 0.987 121 F CB 2.037 41.200 39.000 0.272 0.000 1.130 121 F HN 0.286 nan 8.300 nan 0.000 0.458 122 S N 1.917 117.671 115.700 0.090 0.000 2.632 122 S HA 0.611 5.081 4.470 -0.001 0.000 0.289 122 S C -0.421 174.018 174.600 -0.267 0.000 1.115 122 S CA -0.444 57.814 58.200 0.097 0.000 0.889 122 S CB 1.569 64.832 63.200 0.106 0.000 1.116 122 S HN 0.539 nan 8.310 nan 0.000 0.486 123 F N 0.199 120.100 119.950 -0.081 0.000 2.831 123 F HA 0.371 4.898 4.527 -0.000 0.000 0.334 123 F C 0.714 176.464 175.800 -0.084 0.000 1.071 123 F CA -0.280 57.611 58.000 -0.182 0.000 1.172 123 F CB 0.897 39.563 39.000 -0.557 0.000 1.054 123 F HN 0.409 nan 8.300 nan 0.000 0.572 124 D N -1.057 119.420 120.400 0.128 0.000 2.742 124 D HA 0.230 4.870 4.640 -0.001 0.000 0.302 124 D C 1.341 177.708 176.300 0.112 0.000 1.588 124 D CA 0.995 55.060 54.000 0.108 0.000 0.873 124 D CB 0.879 41.738 40.800 0.098 0.000 1.418 124 D HN 0.211 nan 8.370 nan 0.000 0.420 125 G N 2.063 110.937 108.800 0.123 0.000 2.211 125 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.201 125 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.201 125 G C 0.234 175.229 174.900 0.158 0.000 0.997 125 G CA -0.398 44.773 45.100 0.117 0.000 0.652 125 G HN 0.195 nan 8.290 nan 0.000 0.500 126 R N 1.343 121.982 120.500 0.231 0.000 2.265 126 R HA 0.562 4.901 4.340 -0.001 0.000 0.328 126 R C -0.165 176.391 176.300 0.426 0.000 0.969 126 R CA -0.859 55.429 56.100 0.313 0.000 0.832 126 R CB 0.808 31.340 30.300 0.386 0.000 1.139 126 R HN 0.231 nan 8.270 nan 0.000 0.457 127 K N 2.508 123.106 120.400 0.331 0.000 2.550 127 K HA -0.060 4.260 4.320 -0.001 0.000 0.280 127 K C -0.196 176.718 176.600 0.524 0.000 0.987 127 K CA 0.571 57.072 56.287 0.357 0.000 1.048 127 K CB 0.317 32.953 32.500 0.228 0.000 0.879 127 K HN 0.486 nan 8.250 nan 0.000 0.491 128 F N 1.226 121.371 119.950 0.325 0.000 2.531 128 F HA 0.233 4.759 4.527 -0.001 0.000 0.273 128 F C -0.078 175.911 175.800 0.315 0.000 0.960 128 F CA -0.045 58.159 58.000 0.340 0.000 1.207 128 F CB 0.530 39.805 39.000 0.459 0.000 1.012 128 F HN 0.264 nan 8.300 nan 0.000 0.738 129 L N 0.208 121.786 121.223 0.591 0.000 2.393 129 L HA 0.582 4.922 4.340 -0.001 0.000 0.260 129 L C -1.347 175.910 176.870 0.645 0.000 1.002 129 L CA -0.703 54.467 54.840 0.551 0.000 0.818 129 L CB 2.349 44.716 42.059 0.513 0.000 1.369 129 L HN -0.195 nan 8.230 nan 0.000 0.412 130 L N 2.456 124.019 121.223 0.567 0.000 2.410 130 L HA 0.501 4.840 4.340 -0.001 0.000 0.270 130 L C -1.560 175.579 176.870 0.448 0.000 0.983 130 L CA -0.525 54.589 54.840 0.456 0.000 0.822 130 L CB 2.216 44.425 42.059 0.250 0.000 1.285 130 L HN 0.424 nan 8.230 nan 0.000 0.409 131 F N 3.084 123.120 119.950 0.143 0.000 2.467 131 F HA 0.364 4.890 4.527 -0.001 0.000 0.336 131 F C -0.256 175.475 175.800 -0.115 0.000 1.123 131 F CA -0.705 57.143 58.000 -0.253 0.000 0.964 131 F CB 1.366 39.963 39.000 -0.672 0.000 1.136 131 F HN 0.339 nan 8.300 nan 0.000 0.447 132 D N 4.257 124.163 120.400 -0.823 0.000 2.467 132 D HA 0.172 4.811 4.640 -0.001 0.000 0.220 132 D C 0.524 176.248 176.300 -0.962 0.000 1.103 132 D CA 0.089 53.728 54.000 -0.602 0.000 0.886 132 D CB 1.508 42.101 40.800 -0.346 0.000 1.025 132 D HN 0.607 nan 8.370 nan 0.000 0.514 133 S N 3.507 118.786 115.700 -0.701 0.000 2.359 133 S HA -0.189 4.280 4.470 -0.001 0.000 0.223 133 S C 1.699 176.133 174.600 -0.277 0.000 1.039 133 S CA 0.832 58.783 58.200 -0.415 0.000 1.042 133 S CB -0.129 63.091 63.200 0.034 0.000 0.915 133 S HN 0.605 nan 8.310 nan 0.000 0.439 134 N N 2.372 120.940 118.700 -0.220 0.000 2.023 134 N HA -0.140 4.600 4.740 -0.001 0.000 0.200 134 N C 1.130 176.562 175.510 -0.131 0.000 1.048 134 N CA 1.492 54.447 53.050 -0.158 0.000 0.872 134 N CB -0.769 37.613 38.487 -0.175 0.000 1.070 134 N HN 0.443 nan 8.380 nan 0.000 0.441 135 N N 0.827 119.430 118.700 -0.161 0.000 2.467 135 N HA -0.022 4.717 4.740 -0.001 0.000 0.184 135 N C 0.195 175.618 175.510 -0.144 0.000 1.106 135 N CA 0.019 53.001 53.050 -0.113 0.000 0.892 135 N CB 0.171 38.604 38.487 -0.090 0.000 0.969 135 N HN 0.297 nan 8.380 nan 0.000 0.454 136 R N 0.604 120.933 120.500 -0.285 0.000 3.525 136 R HA -0.179 4.161 4.340 -0.001 0.000 0.276 136 R C -0.603 175.565 176.300 -0.220 0.000 1.116 136 R CA 0.648 56.576 56.100 -0.287 0.000 0.745 136 R CB -1.353 28.942 30.300 -0.008 0.000 1.185 136 R HN 0.199 nan 8.270 nan 0.000 0.454 137 K N 0.484 120.682 120.400 -0.336 0.000 2.244 137 K HA 0.203 4.522 4.320 -0.001 0.000 0.260 137 K C -0.998 175.569 176.600 -0.055 0.000 0.951 137 K CA -0.704 55.529 56.287 -0.089 0.000 0.826 137 K CB 0.647 33.132 32.500 -0.025 0.000 1.108 137 K HN 0.145 nan 8.250 nan 0.000 0.433 138 W N 2.676 124.106 121.300 0.216 0.000 2.331 138 W HA 0.185 4.844 4.660 -0.001 0.000 0.306 138 W C 0.269 176.891 176.519 0.171 0.000 1.162 138 W CA -0.349 57.176 57.345 0.299 0.000 1.232 138 W CB 1.745 31.392 29.460 0.311 0.000 1.235 138 W HN 0.421 nan 8.180 nan 0.000 0.479 139 T N 3.106 117.901 114.554 0.402 0.000 2.812 139 T HA 0.488 4.837 4.350 -0.001 0.000 0.282 139 T C -0.726 174.120 174.700 0.245 0.000 0.990 139 T CA -0.602 61.648 62.100 0.250 0.000 0.960 139 T CB 0.661 69.622 68.868 0.154 0.000 0.948 139 T HN 0.088 nan 8.240 nan 0.000 0.438 140 V N 5.749 125.761 119.914 0.164 0.000 2.637 140 V HA 0.198 4.317 4.120 -0.001 0.000 0.296 140 V C 1.086 177.230 176.094 0.083 0.000 1.046 140 V CA 0.034 62.400 62.300 0.110 0.000 1.066 140 V CB 1.468 33.315 31.823 0.041 0.000 0.968 140 V HN 0.898 nan 8.190 nan 0.000 0.483 141 V N 2.926 122.887 119.914 0.079 0.000 3.572 141 V HA 0.216 4.335 4.120 -0.001 0.000 0.260 141 V C 0.333 176.408 176.094 -0.032 0.000 1.324 141 V CA 0.356 62.689 62.300 0.055 0.000 1.068 141 V CB 0.039 31.941 31.823 0.132 0.000 0.837 141 V HN 0.864 nan 8.190 nan 0.000 0.450 142 H N -0.901 118.046 119.070 -0.206 0.000 2.717 142 H HA 0.583 5.138 4.556 -0.001 0.000 0.366 142 H C 0.841 175.967 175.328 -0.337 0.000 1.132 142 H CA 0.258 56.086 56.048 -0.367 0.000 1.180 142 H CB 2.630 31.882 29.762 -0.850 0.000 1.678 142 H HN 0.035 nan 8.280 nan 0.000 0.537 143 A N 2.734 125.515 122.820 -0.065 0.000 1.908 143 A HA -0.107 4.213 4.320 -0.001 0.000 0.218 143 A C 2.073 179.622 177.584 -0.058 0.000 1.181 143 A CA 1.710 53.721 52.037 -0.044 0.000 0.627 143 A CB -0.843 18.137 19.000 -0.033 0.000 0.818 143 A HN 0.735 nan 8.150 nan 0.000 0.445 144 G N -1.525 107.236 108.800 -0.066 0.000 2.956 144 G HA2 0.283 4.243 3.960 -0.001 0.000 0.207 144 G HA3 0.283 4.243 3.960 -0.001 0.000 0.207 144 G C 0.944 175.732 174.900 -0.186 0.000 1.162 144 G CA 0.795 45.807 45.100 -0.146 0.000 0.796 144 G HN 0.793 nan 8.290 nan 0.000 0.527 145 A N 0.072 122.708 122.820 -0.307 0.000 2.387 145 A HA 0.355 4.675 4.320 -0.001 0.000 0.234 145 A C 2.088 179.598 177.584 -0.124 0.000 1.253 145 A CA -0.143 51.804 52.037 -0.149 0.000 0.894 145 A CB -0.012 18.892 19.000 -0.160 0.000 0.963 145 A HN 0.310 nan 8.150 nan 0.000 0.508 146 R N 0.093 120.523 120.500 -0.116 0.000 2.096 146 R HA -0.083 4.257 4.340 -0.001 0.000 0.235 146 R C 2.080 178.300 176.300 -0.134 0.000 1.127 146 R CA 1.624 57.666 56.100 -0.098 0.000 0.968 146 R CB -0.202 30.055 30.300 -0.072 0.000 0.861 146 R HN 0.453 nan 8.270 nan 0.000 0.440 147 R N -0.263 120.145 120.500 -0.154 0.000 2.073 147 R HA 0.053 4.392 4.340 -0.001 0.000 0.229 147 R C 2.241 178.371 176.300 -0.284 0.000 1.120 147 R CA 1.008 56.998 56.100 -0.182 0.000 0.967 147 R CB -0.111 30.093 30.300 -0.160 0.000 0.862 147 R HN 0.111 nan 8.270 nan 0.000 0.436 148 M N 1.123 120.491 119.600 -0.387 0.000 2.159 148 M HA -0.158 4.322 4.480 -0.001 0.000 0.263 148 M C 2.134 177.965 176.300 -0.782 0.000 1.063 148 M CA 1.505 56.388 55.300 -0.697 0.000 1.110 148 M CB -0.706 31.377 32.600 -0.862 0.000 1.374 148 M HN 0.085 nan 8.290 nan 0.000 0.411 149 K N 0.558 120.645 120.400 -0.522 0.000 2.009 149 K HA -0.201 4.119 4.320 -0.001 0.000 0.210 149 K C 1.846 178.208 176.600 -0.397 0.000 1.049 149 K CA 1.662 57.662 56.287 -0.478 0.000 0.929 149 K CB -0.118 32.270 32.500 -0.186 0.000 0.714 149 K HN 0.318 nan 8.250 nan 0.000 0.440 150 E N 0.657 120.709 120.200 -0.248 0.000 2.033 150 E HA -0.272 4.077 4.350 -0.001 0.000 0.199 150 E C 2.158 178.664 176.600 -0.157 0.000 1.011 150 E CA 1.825 58.131 56.400 -0.157 0.000 0.815 150 E CB -0.070 29.557 29.700 -0.121 0.000 0.755 150 E HN 0.281 nan 8.360 nan 0.000 0.451 151 K N -0.063 120.222 120.400 -0.192 0.000 2.001 151 K HA -0.208 4.111 4.320 -0.001 0.000 0.214 151 K C 1.953 178.550 176.600 -0.006 0.000 1.050 151 K CA 1.998 58.219 56.287 -0.110 0.000 0.934 151 K CB -0.197 32.211 32.500 -0.153 0.000 0.718 151 K HN 0.177 nan 8.250 nan 0.000 0.443 152 W N 1.427 122.492 121.300 -0.391 0.000 2.425 152 W HA -0.044 4.615 4.660 -0.000 0.000 0.277 152 W C 2.033 178.300 176.519 -0.419 0.000 1.231 152 W CA 0.709 57.766 57.345 -0.479 0.000 1.248 152 W CB -0.704 28.249 29.460 -0.845 0.000 1.117 152 W HN 0.405 nan 8.180 nan 0.000 0.568 153 E N 0.727 120.780 120.200 -0.245 0.000 2.106 153 E HA -0.209 4.141 4.350 -0.001 0.000 0.192 153 E C 2.032 178.674 176.600 0.071 0.000 0.984 153 E CA 1.244 57.626 56.400 -0.030 0.000 0.806 153 E CB -0.077 29.622 29.700 -0.001 0.000 0.750 153 E HN 0.158 nan 8.360 nan 0.000 0.458 154 K N 0.457 120.864 120.400 0.012 0.000 2.366 154 K HA -0.095 4.225 4.320 -0.001 0.000 0.198 154 K C 0.359 176.968 176.600 0.015 0.000 1.044 154 K CA 0.590 56.889 56.287 0.020 0.000 0.973 154 K CB 0.249 32.748 32.500 -0.003 0.000 0.767 154 K HN -0.069 nan 8.250 nan 0.000 0.475 155 D N 0.949 121.355 120.400 0.010 0.000 2.551 155 D HA -0.016 4.623 4.640 -0.001 0.000 0.223 155 D C 0.810 177.096 176.300 -0.025 0.000 1.144 155 D CA 0.016 53.999 54.000 -0.028 0.000 1.025 155 D CB 0.670 41.431 40.800 -0.066 0.000 1.085 155 D HN 0.177 nan 8.370 nan 0.000 0.506 156 S N 1.853 117.555 115.700 0.003 0.000 2.402 156 S HA -0.151 4.319 4.470 -0.001 0.000 0.233 156 S C 2.013 176.600 174.600 -0.022 0.000 1.030 156 S CA 1.707 59.923 58.200 0.027 0.000 1.003 156 S CB -0.241 62.978 63.200 0.031 0.000 0.813 156 S HN 0.479 nan 8.310 nan 0.000 0.477 157 G N 1.476 110.232 108.800 -0.072 0.000 2.421 157 G HA2 -0.065 3.894 3.960 -0.001 0.000 0.216 157 G HA3 -0.065 3.894 3.960 -0.001 0.000 0.216 157 G C 1.478 176.258 174.900 -0.199 0.000 1.171 157 G CA 0.826 45.858 45.100 -0.114 0.000 0.775 157 G HN 0.493 nan 8.290 nan 0.000 0.543 158 L N 0.307 121.347 121.223 -0.305 0.000 1.976 158 L HA -0.110 4.230 4.340 -0.001 0.000 0.209 158 L C 3.150 179.637 176.870 -0.640 0.000 1.071 158 L CA 2.139 56.627 54.840 -0.586 0.000 0.746 158 L CB -0.590 41.062 42.059 -0.678 0.000 0.890 158 L HN 0.397 nan 8.230 nan 0.000 0.432 159 T N -1.506 112.890 114.554 -0.263 0.000 2.759 159 T HA -0.206 4.143 4.350 -0.001 0.000 0.269 159 T C 1.734 176.378 174.700 -0.094 0.000 1.042 159 T CA 2.313 64.364 62.100 -0.080 0.000 1.140 159 T CB -0.369 68.701 68.868 0.336 0.000 0.864 159 T HN 0.650 nan 8.240 nan 0.000 0.455 160 T N -1.062 113.472 114.554 -0.033 0.000 2.904 160 T HA 0.018 4.367 4.350 -0.001 0.000 0.267 160 T C 1.641 176.345 174.700 0.007 0.000 1.059 160 T CA 0.985 63.103 62.100 0.031 0.000 1.137 160 T CB -0.847 68.042 68.868 0.035 0.000 0.879 160 T HN 0.521 nan 8.240 nan 0.000 0.467 161 F N 1.112 120.901 119.950 -0.268 0.000 2.186 161 F HA 0.051 4.578 4.527 -0.001 0.000 0.299 161 F C 1.567 177.260 175.800 -0.177 0.000 1.090 161 F CA 0.914 58.745 58.000 -0.282 0.000 1.307 161 F CB -0.245 38.458 39.000 -0.495 0.000 1.019 161 F HN 0.037 nan 8.300 nan 0.000 0.489 162 F N 0.998 120.706 119.950 -0.403 0.000 2.325 162 F HA -0.011 4.516 4.527 -0.001 0.000 0.299 162 F C 2.361 178.154 175.800 -0.012 0.000 1.090 162 F CA 1.059 58.688 58.000 -0.618 0.000 1.392 162 F CB -1.020 37.226 39.000 -1.257 0.000 1.053 162 F HN -0.019 nan 8.300 nan 0.000 0.521 163 K N -0.450 120.093 120.400 0.239 0.000 2.067 163 K HA -0.095 4.225 4.320 -0.001 0.000 0.203 163 K C 2.113 178.788 176.600 0.126 0.000 1.048 163 K CA 0.834 57.294 56.287 0.287 0.000 0.954 163 K CB 0.050 32.699 32.500 0.248 0.000 0.737 163 K HN -0.028 nan 8.250 nan 0.000 0.444 164 M N 0.955 120.580 119.600 0.043 0.000 2.086 164 M HA -0.134 4.346 4.480 -0.001 0.000 0.261 164 M C 2.258 178.520 176.300 -0.064 0.000 1.067 164 M CA 1.254 56.548 55.300 -0.010 0.000 1.116 164 M CB -0.740 31.859 32.600 -0.002 0.000 1.348 164 M HN 0.015 nan 8.290 nan 0.000 0.407 165 V N 0.345 120.190 119.914 -0.114 0.000 2.427 165 V HA -0.196 3.924 4.120 -0.001 0.000 0.248 165 V C 2.518 178.535 176.094 -0.128 0.000 1.051 165 V CA 1.947 64.159 62.300 -0.146 0.000 1.048 165 V CB -1.107 30.586 31.823 -0.217 0.000 0.666 165 V HN 0.583 nan 8.190 nan 0.000 0.456 166 S N -0.835 114.895 115.700 0.050 0.000 2.446 166 S HA 0.017 4.486 4.470 -0.001 0.000 0.225 166 S C 1.843 176.396 174.600 -0.077 0.000 1.016 166 S CA 0.748 58.939 58.200 -0.015 0.000 0.943 166 S CB -0.190 63.082 63.200 0.120 0.000 0.786 166 S HN 0.451 nan 8.310 nan 0.000 0.508 167 M N 0.556 120.130 119.600 -0.044 0.000 2.476 167 M HA 0.221 4.700 4.480 -0.001 0.000 0.262 167 M C 2.106 178.335 176.300 -0.118 0.000 1.111 167 M CA 0.717 55.973 55.300 -0.073 0.000 1.127 167 M CB -0.196 32.383 32.600 -0.034 0.000 1.376 167 M HN 0.388 nan 8.290 nan 0.000 0.465 168 R N -0.495 119.912 120.500 -0.154 0.000 2.411 168 R HA 0.118 4.458 4.340 -0.001 0.000 0.176 168 R C 1.566 177.671 176.300 -0.325 0.000 1.072 168 R CA -0.047 55.944 56.100 -0.182 0.000 1.132 168 R CB -0.159 30.074 30.300 -0.112 0.000 1.203 168 R HN 0.162 nan 8.270 nan 0.000 0.537 169 D N 1.245 121.407 120.400 -0.395 0.000 2.106 169 D HA -0.234 4.406 4.640 -0.001 0.000 0.191 169 D C 1.827 177.216 176.300 -1.518 0.000 0.997 169 D CA 1.479 55.054 54.000 -0.708 0.000 0.834 169 D CB -0.150 40.337 40.800 -0.522 0.000 0.956 169 D HN 0.186 nan 8.370 nan 0.000 0.448 170 c N 1.464 119.313 118.600 -1.251 0.000 2.425 170 c HA -0.084 4.486 4.570 -0.001 0.000 0.277 170 c C 2.537 176.308 174.090 -0.531 0.000 1.280 170 c CA 0.857 56.572 56.329 -1.023 0.000 1.744 170 c CB -0.831 41.405 42.510 -0.458 0.000 1.989 170 c HN 0.241 nan 8.230 nan 0.000 0.491 171 K N 0.088 120.250 120.400 -0.397 0.000 2.148 171 K HA -0.108 4.212 4.320 -0.001 0.000 0.204 171 K C 2.280 178.733 176.600 -0.244 0.000 1.050 171 K CA 1.574 57.722 56.287 -0.232 0.000 0.942 171 K CB -0.394 32.005 32.500 -0.169 0.000 0.724 171 K HN 0.511 nan 8.250 nan 0.000 0.446 172 S N 0.160 115.649 115.700 -0.352 0.000 2.355 172 S HA -0.101 4.369 4.470 -0.001 0.000 0.222 172 S C 1.599 176.087 174.600 -0.187 0.000 1.031 172 S CA 1.003 59.055 58.200 -0.246 0.000 0.993 172 S CB -0.263 62.795 63.200 -0.237 0.000 0.859 172 S HN 0.503 nan 8.310 nan 0.000 0.453 173 W N 1.455 122.565 121.300 -0.318 0.000 2.436 173 W HA 0.158 4.818 4.660 -0.000 0.000 0.284 173 W C 2.194 178.139 176.519 -0.958 0.000 1.225 173 W CA -0.310 56.611 57.345 -0.707 0.000 1.271 173 W CB -1.522 27.577 29.460 -0.601 0.000 1.114 173 W HN 0.320 nan 8.180 nan 0.000 0.559 174 L N 0.604 121.658 121.223 -0.283 0.000 2.017 174 L HA -0.215 4.124 4.340 -0.001 0.000 0.208 174 L C 2.873 179.654 176.870 -0.148 0.000 1.073 174 L CA 1.777 56.517 54.840 -0.167 0.000 0.745 174 L CB -0.452 41.566 42.059 -0.067 0.000 0.894 174 L HN -0.071 nan 8.230 nan 0.000 0.432 175 R N -0.095 120.327 120.500 -0.130 0.000 2.083 175 R HA -0.217 4.122 4.340 -0.001 0.000 0.237 175 R C 1.819 178.088 176.300 -0.053 0.000 1.137 175 R CA 2.291 58.348 56.100 -0.072 0.000 0.951 175 R CB -0.153 30.111 30.300 -0.060 0.000 0.851 175 R HN 0.400 nan 8.270 nan 0.000 0.434 176 D N -0.408 119.936 120.400 -0.092 0.000 2.144 176 D HA -0.137 4.502 4.640 -0.001 0.000 0.200 176 D C 1.669 178.038 176.300 0.114 0.000 0.978 176 D CA 1.007 55.001 54.000 -0.009 0.000 0.833 176 D CB -0.203 40.585 40.800 -0.020 0.000 0.961 176 D HN 0.186 nan 8.370 nan 0.000 0.470 177 F N 0.760 120.714 119.950 0.008 0.000 2.146 177 F HA -0.001 4.525 4.527 -0.001 0.000 0.298 177 F C 2.345 178.116 175.800 -0.049 0.000 1.096 177 F CA 0.318 58.280 58.000 -0.064 0.000 1.275 177 F CB -1.102 37.816 39.000 -0.136 0.000 1.008 177 F HN -0.038 nan 8.300 nan 0.000 0.480 178 L N -1.099 120.182 121.223 0.098 0.000 2.005 178 L HA -0.233 4.107 4.340 -0.001 0.000 0.207 178 L C 2.635 179.517 176.870 0.020 0.000 1.072 178 L CA 1.094 55.917 54.840 -0.028 0.000 0.744 178 L CB -0.663 41.319 42.059 -0.130 0.000 0.895 178 L HN 0.095 nan 8.230 nan 0.000 0.433 179 M N -0.654 118.970 119.600 0.041 0.000 2.195 179 M HA -0.266 4.213 4.480 -0.001 0.000 0.260 179 M C 2.336 178.677 176.300 0.067 0.000 1.066 179 M CA 1.782 57.108 55.300 0.043 0.000 1.089 179 M CB -1.015 31.611 32.600 0.044 0.000 1.377 179 M HN 0.387 nan 8.290 nan 0.000 0.411 180 H N -0.358 118.718 119.070 0.010 0.000 2.415 180 H HA -0.048 4.507 4.556 -0.001 0.000 0.297 180 H C 1.996 177.306 175.328 -0.030 0.000 1.048 180 H CA 1.105 57.153 56.048 -0.000 0.000 1.365 180 H CB -0.103 29.676 29.762 0.029 0.000 1.421 180 H HN 0.276 nan 8.280 nan 0.000 0.533 181 R N 2.158 122.742 120.500 0.141 0.000 2.159 181 R HA -0.112 4.227 4.340 -0.001 0.000 0.237 181 R C 1.991 178.272 176.300 -0.032 0.000 1.131 181 R CA 1.666 57.794 56.100 0.047 0.000 0.982 181 R CB -0.065 30.237 30.300 0.003 0.000 0.868 181 R HN 0.587 nan 8.270 nan 0.000 0.453 182 K N 0.024 120.401 120.400 -0.038 0.000 2.102 182 K HA 0.028 4.348 4.320 -0.001 0.000 0.206 182 K C 1.916 178.474 176.600 -0.070 0.000 1.031 182 K CA 0.209 56.470 56.287 -0.044 0.000 0.962 182 K CB -0.394 32.091 32.500 -0.024 0.000 0.811 182 K HN -0.121 nan 8.250 nan 0.000 0.453 183 K N 0.592 120.941 120.400 -0.085 0.000 2.207 183 K HA -0.179 4.140 4.320 -0.001 0.000 0.208 183 K C 2.311 178.838 176.600 -0.123 0.000 1.046 183 K CA 1.724 57.951 56.287 -0.100 0.000 0.929 183 K CB -0.124 32.307 32.500 -0.115 0.000 0.720 183 K HN 0.237 nan 8.250 nan 0.000 0.463 184 R N 0.617 121.019 120.500 -0.164 0.000 2.070 184 R HA -0.073 4.266 4.340 -0.001 0.000 0.227 184 R C 2.464 178.711 176.300 -0.088 0.000 1.147 184 R CA 1.109 57.121 56.100 -0.146 0.000 0.924 184 R CB -0.965 29.235 30.300 -0.167 0.000 0.827 184 R HN 0.152 nan 8.270 nan 0.000 0.431 185 L N 1.169 122.349 121.223 -0.072 0.000 1.929 185 L HA -0.224 4.116 4.340 -0.001 0.000 0.229 185 L C 1.752 178.597 176.870 -0.041 0.000 1.086 185 L CA 1.546 56.357 54.840 -0.048 0.000 0.798 185 L CB -0.955 41.082 42.059 -0.037 0.000 0.898 185 L HN 0.388 nan 8.230 nan 0.000 0.436 186 E N 0.000 120.178 120.200 -0.036 0.000 2.725 186 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 186 E CA 0.000 56.383 56.400 -0.029 0.000 0.976 186 E CB 0.000 29.687 29.700 -0.021 0.000 0.812 186 E HN 0.000 nan 8.360 nan 0.000 0.440