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 2ij0_1_E DATA FIRST_RESID 1 DATA SEQUENCE GAVVSQHPSM VIVKSGTSVK IEcRSLTNIH TMFWYRQFPK QSLMLMATSH DATA SEQUENCE QFNAIYEQGV VKDKFLINHA SPTLSTLTVT SAHPEDSGFY VcSALAGSGS DATA SEQUENCE STDXTQYFGP GTQLTVL 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 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1 G C 0.000 174.762 174.900 -0.231 0.000 0.946 1 G CA 0.000 45.058 45.100 -0.070 0.000 0.502 2 A N -0.025 122.612 122.820 -0.304 0.000 2.419 2 A HA 0.135 4.455 4.320 -0.000 0.000 0.262 2 A C -0.115 177.263 177.584 -0.344 0.000 1.352 2 A CA 0.216 51.939 52.037 -0.523 0.000 0.709 2 A CB -1.421 16.851 19.000 -1.212 0.000 1.150 2 A HN 2.032 nan 8.150 nan 0.000 0.329 3 V N 3.315 123.145 119.914 -0.141 0.000 2.472 3 V HA 0.728 4.848 4.120 -0.000 0.000 0.290 3 V C 0.463 176.532 176.094 -0.042 0.000 1.037 3 V CA 0.274 62.554 62.300 -0.034 0.000 0.908 3 V CB 1.765 33.589 31.823 0.002 0.000 0.985 3 V HN 1.856 nan 8.190 nan 0.000 0.454 4 V N 5.938 125.854 119.914 0.004 0.000 2.448 4 V HA 0.716 4.836 4.120 -0.000 0.000 0.295 4 V C -0.082 176.014 176.094 0.004 0.000 1.025 4 V CA 0.157 62.446 62.300 -0.017 0.000 0.859 4 V CB 2.013 33.813 31.823 -0.038 0.000 0.988 4 V HN 0.890 nan 8.190 nan 0.000 0.431 5 S N 4.676 120.370 115.700 -0.010 0.000 2.690 5 S HA 0.720 5.190 4.470 -0.000 0.000 0.291 5 S C -0.703 173.909 174.600 0.019 0.000 1.138 5 S CA -0.597 57.611 58.200 0.013 0.000 1.013 5 S CB 1.594 64.798 63.200 0.007 0.000 1.053 5 S HN 0.922 nan 8.310 nan 0.000 0.539 6 Q N 0.566 120.402 119.800 0.060 0.000 2.456 6 Q HA 0.435 4.775 4.340 -0.000 0.000 0.284 6 Q C -1.566 174.544 176.000 0.183 0.000 1.061 6 Q CA -0.705 55.158 55.803 0.101 0.000 0.799 6 Q CB 2.527 31.306 28.738 0.068 0.000 1.445 6 Q HN 0.768 nan 8.270 nan 0.000 0.411 7 H N 1.310 120.419 119.070 0.064 0.000 3.083 7 H HA 0.324 4.880 4.556 -0.000 0.000 0.339 7 H C -2.817 172.544 175.328 0.055 0.000 1.020 7 H CA -1.793 54.287 56.048 0.052 0.000 1.360 7 H CB 2.312 32.099 29.762 0.041 0.000 1.811 7 H HN 0.441 nan 8.280 nan 0.000 0.493 8 P HA 0.118 nan 4.420 nan 0.000 0.302 8 P C 0.318 177.624 177.300 0.010 0.000 1.307 8 P CA -0.323 62.643 63.100 -0.222 0.000 0.754 8 P CB 1.168 32.725 31.700 -0.238 0.000 1.298 9 S N -1.807 113.927 115.700 0.058 0.000 2.497 9 S HA 0.285 4.755 4.470 -0.000 0.000 0.218 9 S C 0.852 175.509 174.600 0.096 0.000 1.023 9 S CA 0.113 58.368 58.200 0.092 0.000 0.913 9 S CB -0.475 62.797 63.200 0.119 0.000 0.800 9 S HN 0.607 nan 8.310 nan 0.000 0.505 10 M N 0.026 119.667 119.600 0.069 0.000 2.413 10 M HA 0.785 5.265 4.480 -0.000 0.000 0.287 10 M C -1.988 174.333 176.300 0.034 0.000 1.186 10 M CA -0.695 54.650 55.300 0.076 0.000 0.927 10 M CB 2.419 35.083 32.600 0.106 0.000 1.715 10 M HN -0.087 nan 8.290 nan 0.000 0.478 11 V N 4.593 124.526 119.914 0.032 0.000 2.841 11 V HA 0.761 4.881 4.120 -0.000 0.000 0.310 11 V C -1.659 174.448 176.094 0.023 0.000 1.090 11 V CA -0.623 61.681 62.300 0.007 0.000 0.930 11 V CB 2.318 34.123 31.823 -0.031 0.000 1.014 11 V HN 0.955 nan 8.190 nan 0.000 0.425 12 I N 7.074 127.653 120.570 0.014 0.000 2.418 12 I HA 0.653 4.822 4.170 -0.000 0.000 0.287 12 I C -0.295 175.823 176.117 0.002 0.000 1.008 12 I CA -0.831 60.480 61.300 0.017 0.000 1.104 12 I CB 1.785 39.797 38.000 0.020 0.000 1.264 12 I HN 0.560 nan 8.210 nan 0.000 0.438 13 V N 2.545 122.458 119.914 -0.001 0.000 3.126 13 V HA 0.618 4.738 4.120 -0.000 0.000 0.314 13 V C -0.448 175.637 176.094 -0.014 0.000 1.138 13 V CA -1.019 61.273 62.300 -0.013 0.000 1.034 13 V CB 2.022 33.831 31.823 -0.025 0.000 1.075 13 V HN 0.617 nan 8.190 nan 0.000 0.442 14 K N 0.901 121.290 120.400 -0.020 0.000 2.118 14 K HA 0.517 4.837 4.320 -0.000 0.000 0.264 14 K C 0.294 176.877 176.600 -0.029 0.000 1.000 14 K CA -0.321 55.952 56.287 -0.023 0.000 0.929 14 K CB 1.359 33.847 32.500 -0.021 0.000 1.021 14 K HN 0.821 nan 8.250 nan 0.000 0.463 15 S N 0.535 116.213 115.700 -0.037 0.000 2.571 15 S HA 0.046 4.516 4.470 -0.000 0.000 0.298 15 S C 1.220 175.805 174.600 -0.025 0.000 1.280 15 S CA 1.384 59.561 58.200 -0.039 0.000 1.052 15 S CB 0.090 63.258 63.200 -0.052 0.000 0.799 15 S HN 0.909 nan 8.310 nan 0.000 0.501 16 G N 2.130 110.920 108.800 -0.017 0.000 2.179 16 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.260 16 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.260 16 G C 0.326 175.204 174.900 -0.037 0.000 0.977 16 G CA 0.548 45.635 45.100 -0.021 0.000 0.641 16 G HN 0.887 nan 8.290 nan 0.000 0.533 17 T N 0.181 114.711 114.554 -0.041 0.000 2.849 17 T HA 0.649 4.999 4.350 -0.000 0.000 0.276 17 T C 0.647 175.305 174.700 -0.070 0.000 0.971 17 T CA 0.800 62.871 62.100 -0.049 0.000 0.949 17 T CB 0.961 69.803 68.868 -0.043 0.000 1.093 17 T HN 1.293 nan 8.240 nan 0.000 0.545 18 S N 0.865 116.520 115.700 -0.075 0.000 2.532 18 S HA 0.692 5.162 4.470 -0.000 0.000 0.299 18 S C -1.150 173.390 174.600 -0.100 0.000 1.105 18 S CA -0.760 57.380 58.200 -0.100 0.000 1.018 18 S CB 1.361 64.501 63.200 -0.100 0.000 1.021 18 S HN 0.524 nan 8.310 nan 0.000 0.483 19 V N 2.648 122.485 119.914 -0.128 0.000 2.409 19 V HA 0.554 4.673 4.120 -0.000 0.000 0.291 19 V C -0.134 175.868 176.094 -0.154 0.000 1.020 19 V CA -0.721 61.502 62.300 -0.128 0.000 0.848 19 V CB 1.412 33.156 31.823 -0.132 0.000 0.990 19 V HN 0.990 nan 8.190 nan 0.000 0.430 20 K N 4.865 125.189 120.400 -0.126 0.000 2.265 20 K HA 0.734 5.053 4.320 -0.000 0.000 0.267 20 K C -1.324 175.205 176.600 -0.118 0.000 0.994 20 K CA -0.484 55.729 56.287 -0.124 0.000 0.860 20 K CB 1.172 33.624 32.500 -0.081 0.000 1.099 20 K HN 0.680 nan 8.250 nan 0.000 0.448 21 I N 3.083 123.570 120.570 -0.137 0.000 2.569 21 I HA 0.289 4.459 4.170 -0.000 0.000 0.296 21 I C -0.569 175.591 176.117 0.071 0.000 1.028 21 I CA -0.749 60.508 61.300 -0.072 0.000 1.082 21 I CB 2.251 40.159 38.000 -0.154 0.000 1.264 21 I HN 0.617 nan 8.210 nan 0.000 0.429 22 E N 3.801 124.128 120.200 0.213 0.000 2.238 22 E HA 0.432 4.782 4.350 -0.000 0.000 0.267 22 E C -1.681 175.104 176.600 0.308 0.000 0.887 22 E CA -0.668 55.898 56.400 0.276 0.000 0.769 22 E CB 2.765 32.589 29.700 0.206 0.000 1.187 22 E HN 0.468 nan 8.360 nan 0.000 0.416 23 c N 3.521 122.261 118.600 0.234 0.000 2.340 23 c HA 0.516 5.086 4.570 -0.000 0.000 0.323 23 c C -0.751 173.316 174.090 -0.038 0.000 1.260 23 c CA -0.465 55.854 56.329 -0.016 0.000 1.464 23 c CB -0.112 42.215 42.510 -0.304 0.000 2.156 23 c HN 0.655 nan 8.230 nan 0.000 0.476 24 R N 3.155 123.631 120.500 -0.041 0.000 2.711 24 R HA 0.705 5.045 4.340 -0.000 0.000 0.284 24 R C -1.064 175.202 176.300 -0.057 0.000 0.968 24 R CA -0.319 55.758 56.100 -0.038 0.000 0.924 24 R CB 2.098 32.388 30.300 -0.016 0.000 1.162 24 R HN 0.709 nan 8.270 nan 0.000 0.465 25 S N 1.862 117.529 115.700 -0.054 0.000 2.689 25 S HA 0.146 4.616 4.470 -0.000 0.000 0.274 25 S C 0.613 175.183 174.600 -0.049 0.000 1.176 25 S CA -0.628 57.535 58.200 -0.062 0.000 1.014 25 S CB 0.664 63.815 63.200 -0.081 0.000 1.071 25 S HN 0.477 nan 8.310 nan 0.000 0.478 26 L N 4.188 125.382 121.223 -0.049 0.000 2.362 26 L HA 0.202 4.541 4.340 -0.000 0.000 0.219 26 L C 1.494 178.338 176.870 -0.044 0.000 1.134 26 L CA 1.694 56.511 54.840 -0.039 0.000 0.807 26 L CB -2.084 39.955 42.059 -0.034 0.000 0.927 26 L HN 0.714 nan 8.230 nan 0.000 0.447 27 T N -4.532 109.981 114.554 -0.068 0.000 3.232 27 T HA 0.181 4.530 4.350 -0.000 0.000 0.259 27 T C 1.565 176.256 174.700 -0.015 0.000 0.987 27 T CA 0.141 62.220 62.100 -0.034 0.000 1.096 27 T CB -0.182 68.670 68.868 -0.026 0.000 1.131 27 T HN 0.222 nan 8.240 nan 0.000 0.445 28 N N 1.190 119.884 118.700 -0.009 0.000 2.143 28 N HA 0.204 4.944 4.740 -0.000 0.000 0.190 28 N C -0.107 175.421 175.510 0.031 0.000 1.058 28 N CA 0.767 53.828 53.050 0.017 0.000 0.860 28 N CB 0.031 38.538 38.487 0.033 0.000 1.044 28 N HN 0.240 nan 8.380 nan 0.000 0.445 29 I N 1.332 121.920 120.570 0.030 0.000 8.325 29 I HA -0.245 3.924 4.170 -0.000 0.000 0.126 29 I C 0.281 176.420 176.117 0.037 0.000 1.788 29 I CA 0.268 61.570 61.300 0.002 0.000 2.146 29 I CB -0.368 37.614 38.000 -0.029 0.000 3.690 29 I HN 0.609 nan 8.210 nan 0.000 0.201 30 H N 2.199 121.284 119.070 0.026 0.000 2.652 30 H HA 0.426 4.981 4.556 -0.000 0.000 0.274 30 H C -0.009 175.334 175.328 0.025 0.000 1.021 30 H CA 0.444 56.497 56.048 0.010 0.000 1.187 30 H CB 0.693 30.450 29.762 -0.009 0.000 1.505 30 H HN 0.408 nan 8.280 nan 0.000 0.530 31 T N 0.960 115.338 114.554 -0.293 0.000 3.295 31 T HA 0.323 4.673 4.350 -0.000 0.000 0.331 31 T C -0.787 173.782 174.700 -0.218 0.000 1.142 31 T CA -0.640 61.315 62.100 -0.243 0.000 1.078 31 T CB 1.872 70.527 68.868 -0.354 0.000 1.150 31 T HN 0.173 nan 8.240 nan 0.000 0.465 32 M N 3.060 122.564 119.600 -0.160 0.000 2.336 32 M HA 0.627 5.107 4.480 -0.000 0.000 0.342 32 M C -1.285 174.804 176.300 -0.351 0.000 1.128 32 M CA -0.581 54.609 55.300 -0.184 0.000 1.016 32 M CB 1.094 33.596 32.600 -0.164 0.000 1.665 32 M HN 0.509 nan 8.290 nan 0.000 0.445 33 F N 0.811 120.603 119.950 -0.264 0.000 2.507 33 F HA 0.523 5.050 4.527 -0.000 0.000 0.327 33 F C -0.920 174.653 175.800 -0.378 0.000 1.068 33 F CA -0.302 57.522 58.000 -0.293 0.000 0.965 33 F CB 1.271 40.083 39.000 -0.314 0.000 1.192 33 F HN 0.506 nan 8.300 nan 0.000 0.476 34 W N 1.842 123.063 121.300 -0.131 0.000 2.702 34 W HA 0.600 5.260 4.660 -0.000 0.000 0.331 34 W C -1.485 174.919 176.519 -0.192 0.000 1.049 34 W CA -0.580 56.724 57.345 -0.068 0.000 1.230 34 W CB 1.473 30.909 29.460 -0.040 0.000 1.408 34 W HN 0.287 nan 8.180 nan 0.000 0.492 35 Y N 1.685 122.195 120.300 0.351 0.000 2.512 35 Y HA 0.574 5.123 4.550 -0.000 0.000 0.348 35 Y C -0.199 175.755 175.900 0.089 0.000 0.990 35 Y CA -1.535 56.676 58.100 0.185 0.000 1.033 35 Y CB 2.441 41.003 38.460 0.169 0.000 1.259 35 Y HN 0.266 nan 8.280 nan 0.000 0.461 36 R N 2.679 123.215 120.500 0.061 0.000 2.502 36 R HA 0.305 4.645 4.340 -0.000 0.000 0.298 36 R C -1.592 174.445 176.300 -0.439 0.000 1.018 36 R CA -0.621 55.256 56.100 -0.372 0.000 0.899 36 R CB 1.356 31.320 30.300 -0.560 0.000 1.181 36 R HN 0.828 nan 8.270 nan 0.000 0.444 37 Q N 6.240 125.822 119.800 -0.363 0.000 2.340 37 Q HA 0.231 4.570 4.340 -0.000 0.000 0.259 37 Q C -1.180 174.680 176.000 -0.232 0.000 0.964 37 Q CA -0.556 55.140 55.803 -0.177 0.000 0.900 37 Q CB 0.691 29.453 28.738 0.039 0.000 1.228 37 Q HN 0.491 nan 8.270 nan 0.000 0.449 38 F N 3.880 123.814 119.950 -0.027 0.000 2.406 38 F HA 0.378 4.904 4.527 -0.000 0.000 0.327 38 F C -1.705 174.100 175.800 0.008 0.000 1.153 38 F CA -2.324 55.673 58.000 -0.005 0.000 1.218 38 F CB -0.196 38.812 39.000 0.014 0.000 1.215 38 F HN 0.476 nan 8.300 nan 0.000 0.570 39 P HA 0.088 nan 4.420 nan 0.000 0.271 39 P C -0.634 176.734 177.300 0.113 0.000 1.216 39 P CA -0.083 63.093 63.100 0.126 0.000 0.776 39 P CB 0.481 32.242 31.700 0.100 0.000 0.881 40 K N -1.200 119.240 120.400 0.066 0.000 3.407 40 K HA -0.225 4.095 4.320 -0.000 0.000 0.312 40 K C 0.261 176.880 176.600 0.033 0.000 1.302 40 K CA 0.942 57.250 56.287 0.035 0.000 0.931 40 K CB -1.401 31.112 32.500 0.022 0.000 1.257 40 K HN 0.606 nan 8.250 nan 0.000 0.454 41 Q N -0.697 119.152 119.800 0.082 0.000 2.683 41 Q HA 0.451 4.791 4.340 -0.000 0.000 0.302 41 Q C -0.840 175.251 176.000 0.152 0.000 1.042 41 Q CA -0.847 55.009 55.803 0.089 0.000 0.773 41 Q CB 2.320 31.081 28.738 0.040 0.000 1.508 41 Q HN 0.056 nan 8.270 nan 0.000 0.459 42 S N 0.690 116.485 115.700 0.158 0.000 2.601 42 S HA 0.291 4.761 4.470 -0.000 0.000 0.271 42 S C -0.674 174.068 174.600 0.237 0.000 1.305 42 S CA -0.538 57.752 58.200 0.151 0.000 1.022 42 S CB 0.441 63.704 63.200 0.105 0.000 0.940 42 S HN 0.371 nan 8.310 nan 0.000 0.525 43 L N 3.591 124.890 121.223 0.128 0.000 2.418 43 L HA 0.371 4.711 4.340 -0.000 0.000 0.274 43 L C -0.598 176.388 176.870 0.193 0.000 1.135 43 L CA 1.075 55.984 54.840 0.114 0.000 0.870 43 L CB -0.323 41.736 42.059 0.001 0.000 1.154 43 L HN 0.607 nan 8.230 nan 0.000 0.462 44 M N 5.529 125.285 119.600 0.261 0.000 2.327 44 M HA 0.293 4.773 4.480 -0.000 0.000 0.298 44 M C -1.110 175.380 176.300 0.317 0.000 1.065 44 M CA -0.971 54.508 55.300 0.297 0.000 0.916 44 M CB 2.149 34.925 32.600 0.294 0.000 1.630 44 M HN 0.459 nan 8.290 nan 0.000 0.442 45 L N 4.457 125.842 121.223 0.270 0.000 2.499 45 L HA 0.118 4.458 4.340 -0.000 0.000 0.273 45 L C 0.632 177.493 176.870 -0.016 0.000 1.195 45 L CA 0.809 55.612 54.840 -0.060 0.000 0.882 45 L CB 0.610 42.605 42.059 -0.108 0.000 1.133 45 L HN 0.881 nan 8.230 nan 0.000 0.483 46 M N 3.773 123.336 119.600 -0.061 0.000 2.657 46 M HA 0.578 5.058 4.480 -0.000 0.000 0.262 46 M C 0.459 176.766 176.300 0.012 0.000 1.213 46 M CA 0.416 55.707 55.300 -0.015 0.000 1.182 46 M CB 0.102 32.647 32.600 -0.092 0.000 1.303 46 M HN 0.559 nan 8.290 nan 0.000 0.501 47 A N 0.533 123.321 122.820 -0.054 0.000 2.604 47 A HA 0.648 4.968 4.320 -0.000 0.000 0.295 47 A C -0.961 176.512 177.584 -0.184 0.000 1.067 47 A CA -0.483 51.448 52.037 -0.177 0.000 0.683 47 A CB 1.434 20.179 19.000 -0.425 0.000 1.281 47 A HN 0.205 nan 8.150 nan 0.000 0.407 48 T N -0.382 113.986 114.554 -0.309 0.000 2.812 48 T HA 0.631 4.980 4.350 -0.000 0.000 0.282 48 T C -0.750 173.633 174.700 -0.530 0.000 0.990 48 T CA -0.168 61.633 62.100 -0.498 0.000 0.960 48 T CB 1.161 69.650 68.868 -0.632 0.000 0.948 48 T HN 1.103 nan 8.240 nan 0.000 0.438 49 S N 3.965 119.411 115.700 -0.424 0.000 2.532 49 S HA 0.385 4.855 4.470 -0.000 0.000 0.318 49 S C -0.360 174.154 174.600 -0.143 0.000 1.083 49 S CA -0.590 57.490 58.200 -0.200 0.000 1.131 49 S CB -0.240 63.009 63.200 0.083 0.000 0.973 49 S HN 0.845 nan 8.310 nan 0.000 0.468 50 H N 2.099 121.119 119.070 -0.084 0.000 2.615 50 H HA 0.095 4.651 4.556 -0.000 0.000 0.363 50 H C 1.300 176.631 175.328 0.005 0.000 1.148 50 H CA -0.427 55.613 56.048 -0.014 0.000 1.401 50 H CB 0.723 30.496 29.762 0.020 0.000 1.461 50 H HN 0.658 nan 8.280 nan 0.000 0.588 51 Q N 2.440 122.297 119.800 0.096 0.000 2.594 51 Q HA -0.030 4.310 4.340 -0.000 0.000 0.219 51 Q C -0.646 175.192 176.000 -0.271 0.000 0.980 51 Q CA 0.202 55.870 55.803 -0.225 0.000 0.962 51 Q CB -0.677 27.997 28.738 -0.107 0.000 0.987 51 Q HN 0.492 nan 8.270 nan 0.000 0.553 52 F N -0.603 119.319 119.950 -0.046 0.000 1.574 52 F HA -0.331 4.196 4.527 -0.000 0.000 0.156 52 F C 0.581 176.369 175.800 -0.021 0.000 0.133 52 F CA 0.579 58.571 58.000 -0.013 0.000 0.485 52 F CB -0.689 38.324 39.000 0.021 0.000 1.979 52 F HN 0.275 nan 8.300 nan 0.000 0.596 53 N N 0.420 119.242 118.700 0.203 0.000 2.424 53 N HA 0.558 5.298 4.740 -0.000 0.000 0.257 53 N C -0.107 175.427 175.510 0.041 0.000 1.250 53 N CA 0.225 53.342 53.050 0.112 0.000 0.946 53 N CB 1.023 39.582 38.487 0.120 0.000 1.175 53 N HN 0.760 nan 8.380 nan 0.000 0.477 54 A N 1.118 123.901 122.820 -0.062 0.000 2.351 54 A HA 0.408 4.728 4.320 -0.000 0.000 0.257 54 A C 0.192 177.558 177.584 -0.364 0.000 1.087 54 A CA -0.182 51.688 52.037 -0.278 0.000 0.798 54 A CB 0.015 18.759 19.000 -0.426 0.000 1.033 54 A HN 0.613 nan 8.150 nan 0.000 0.488 55 I N 1.567 121.902 120.570 -0.392 0.000 2.330 55 I HA 0.258 4.428 4.170 -0.000 0.000 0.289 55 I C -1.118 174.851 176.117 -0.247 0.000 1.001 55 I CA -0.119 61.041 61.300 -0.233 0.000 1.193 55 I CB 0.800 38.676 38.000 -0.207 0.000 1.345 55 I HN 0.578 nan 8.210 nan 0.000 0.461 56 Y N 4.939 125.225 120.300 -0.022 0.000 2.310 56 Y HA 0.309 4.859 4.550 -0.000 0.000 0.326 56 Y C 0.882 176.783 175.900 0.002 0.000 1.151 56 Y CA -0.516 57.581 58.100 -0.005 0.000 1.195 56 Y CB 0.928 39.398 38.460 0.016 0.000 1.210 56 Y HN 0.465 nan 8.280 nan 0.000 0.483 57 E N 1.197 121.496 120.200 0.165 0.000 2.351 57 E HA 0.039 4.389 4.350 -0.000 0.000 0.255 57 E C -0.681 175.988 176.600 0.114 0.000 1.188 57 E CA -0.685 55.779 56.400 0.107 0.000 0.940 57 E CB 0.585 30.332 29.700 0.078 0.000 1.094 57 E HN 0.608 nan 8.360 nan 0.000 0.474 58 Q N -0.558 119.295 119.800 0.089 0.000 2.311 58 Q HA 0.276 4.616 4.340 -0.000 0.000 0.272 58 Q C 0.569 176.620 176.000 0.085 0.000 1.012 58 Q CA 0.979 56.829 55.803 0.078 0.000 0.891 58 Q CB 0.139 28.915 28.738 0.064 0.000 1.201 58 Q HN 0.715 nan 8.270 nan 0.000 0.391 59 G N 2.209 111.056 108.800 0.079 0.000 2.213 59 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.236 59 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.236 59 G C -0.331 174.634 174.900 0.109 0.000 0.991 59 G CA -0.026 45.128 45.100 0.090 0.000 0.629 59 G HN 0.608 nan 8.290 nan 0.000 0.517 60 V N 1.317 121.290 119.914 0.098 0.000 2.394 60 V HA 0.700 4.820 4.120 -0.000 0.000 0.282 60 V C 0.469 176.563 176.094 -0.001 0.000 1.031 60 V CA -0.816 61.550 62.300 0.110 0.000 0.881 60 V CB 1.765 33.660 31.823 0.120 0.000 0.982 60 V HN 0.242 nan 8.190 nan 0.000 0.451 61 V N 5.451 125.354 119.914 -0.018 0.000 2.581 61 V HA 0.304 4.423 4.120 -0.000 0.000 0.303 61 V C 1.221 177.060 176.094 -0.426 0.000 1.041 61 V CA -0.747 61.428 62.300 -0.210 0.000 0.907 61 V CB 1.887 33.654 31.823 -0.093 0.000 0.994 61 V HN 1.020 nan 8.190 nan 0.000 0.442 62 K N 2.646 122.665 120.400 -0.635 0.000 2.147 62 K HA -0.169 4.151 4.320 -0.000 0.000 0.205 62 K C 0.865 177.316 176.600 -0.248 0.000 1.049 62 K CA 2.132 58.018 56.287 -0.668 0.000 0.936 62 K CB -0.087 32.214 32.500 -0.332 0.000 0.722 62 K HN 0.827 nan 8.250 nan 0.000 0.446 63 D N 0.628 120.913 120.400 -0.192 0.000 2.305 63 D HA -0.094 4.546 4.640 -0.000 0.000 0.206 63 D C 1.779 177.967 176.300 -0.186 0.000 0.974 63 D CA 0.507 54.422 54.000 -0.141 0.000 0.871 63 D CB 0.102 40.836 40.800 -0.109 0.000 0.947 63 D HN 0.134 nan 8.370 nan 0.000 0.516 64 K N 0.556 120.812 120.400 -0.240 0.000 2.076 64 K HA 0.015 4.334 4.320 -0.000 0.000 0.204 64 K C 0.006 176.200 176.600 -0.677 0.000 1.051 64 K CA 0.636 56.660 56.287 -0.438 0.000 0.949 64 K CB -0.131 32.120 32.500 -0.414 0.000 0.726 64 K HN 0.029 nan 8.250 nan 0.000 0.443 65 F N 1.457 121.324 119.950 -0.137 0.000 2.453 65 F HA 0.359 4.886 4.527 -0.000 0.000 0.358 65 F C -0.607 175.155 175.800 -0.063 0.000 1.129 65 F CA -0.784 57.147 58.000 -0.115 0.000 1.200 65 F CB 0.652 39.622 39.000 -0.051 0.000 1.431 65 F HN -0.208 nan 8.300 nan 0.000 0.503 66 L N 3.844 125.067 121.223 0.000 0.000 2.360 66 L HA 0.362 4.702 4.340 -0.000 0.000 0.276 66 L C -0.194 176.687 176.870 0.019 0.000 1.121 66 L CA -0.101 54.757 54.840 0.030 0.000 0.845 66 L CB 0.813 42.852 42.059 -0.034 0.000 1.143 66 L HN 0.444 nan 8.230 nan 0.000 0.452 67 I N 4.526 125.157 120.570 0.101 0.000 2.378 67 I HA 0.284 4.454 4.170 -0.000 0.000 0.291 67 I C -0.169 175.986 176.117 0.062 0.000 0.992 67 I CA -0.306 61.010 61.300 0.025 0.000 1.154 67 I CB 1.443 39.448 38.000 0.009 0.000 1.315 67 I HN 0.527 nan 8.210 nan 0.000 0.448 68 N N 4.854 123.585 118.700 0.052 0.000 2.491 68 N HA 0.188 4.928 4.740 -0.000 0.000 0.274 68 N C -0.861 174.720 175.510 0.118 0.000 1.023 68 N CA -0.466 52.631 53.050 0.078 0.000 0.902 68 N CB 1.036 39.548 38.487 0.043 0.000 1.267 68 N HN 0.619 nan 8.380 nan 0.000 0.503 69 H N 2.784 121.886 119.070 0.054 0.000 2.557 69 H HA 0.344 4.900 4.556 -0.000 0.000 0.236 69 H C 1.362 176.711 175.328 0.034 0.000 1.676 69 H CA -0.199 55.882 56.048 0.056 0.000 1.197 69 H CB 0.297 30.086 29.762 0.045 0.000 1.604 69 H HN 0.713 nan 8.280 nan 0.000 0.509 70 A N 1.084 123.990 122.820 0.142 0.000 1.862 70 A HA -0.174 4.146 4.320 -0.000 0.000 0.214 70 A C 1.559 179.206 177.584 0.104 0.000 1.228 70 A CA 1.376 53.471 52.037 0.096 0.000 0.665 70 A CB -0.904 18.130 19.000 0.056 0.000 0.845 70 A HN 0.601 nan 8.150 nan 0.000 0.459 71 S N -0.301 115.451 115.700 0.087 0.000 2.624 71 S HA 0.322 4.792 4.470 -0.000 0.000 0.263 71 S C -1.238 173.448 174.600 0.142 0.000 1.287 71 S CA -0.430 57.818 58.200 0.079 0.000 0.990 71 S CB 0.838 64.065 63.200 0.046 0.000 0.950 71 S HN 0.328 nan 8.310 nan 0.000 0.561 72 P HA -0.019 nan 4.420 nan 0.000 0.226 72 P C 1.117 178.511 177.300 0.157 0.000 1.153 72 P CA 1.285 64.469 63.100 0.139 0.000 0.777 72 P CB -0.420 31.314 31.700 0.057 0.000 0.794 73 T N -4.437 110.163 114.554 0.077 0.000 3.022 73 T HA 0.184 4.534 4.350 -0.000 0.000 0.250 73 T C 0.714 175.402 174.700 -0.020 0.000 1.060 73 T CA -0.215 61.900 62.100 0.024 0.000 1.013 73 T CB 0.010 68.881 68.868 0.006 0.000 0.982 73 T HN -0.043 nan 8.240 nan 0.000 0.508 74 L N 2.127 123.338 121.223 -0.019 0.000 2.325 74 L HA 0.680 5.019 4.340 -0.000 0.000 0.281 74 L C -1.142 175.649 176.870 -0.132 0.000 1.004 74 L CA -0.408 54.407 54.840 -0.043 0.000 0.823 74 L CB 1.775 43.838 42.059 0.006 0.000 1.236 74 L HN 0.188 nan 8.230 nan 0.000 0.415 75 S N 3.216 118.820 115.700 -0.161 0.000 2.473 75 S HA 0.694 5.164 4.470 -0.000 0.000 0.307 75 S C -0.252 174.449 174.600 0.167 0.000 1.094 75 S CA -0.367 57.760 58.200 -0.121 0.000 1.070 75 S CB 1.211 64.270 63.200 -0.234 0.000 1.019 75 S HN 0.762 nan 8.310 nan 0.000 0.480 76 T N 2.837 117.467 114.554 0.126 0.000 2.855 76 T HA 0.696 5.046 4.350 -0.000 0.000 0.281 76 T C -0.668 173.971 174.700 -0.102 0.000 1.007 76 T CA -0.822 61.328 62.100 0.084 0.000 1.009 76 T CB 1.265 70.144 68.868 0.019 0.000 0.983 76 T HN 0.521 nan 8.240 nan 0.000 0.455 77 L N 2.841 123.830 121.223 -0.390 0.000 2.322 77 L HA 0.765 5.105 4.340 -0.000 0.000 0.281 77 L C -0.068 176.565 176.870 -0.395 0.000 1.014 77 L CA -0.148 54.300 54.840 -0.654 0.000 0.815 77 L CB 2.134 43.285 42.059 -1.513 0.000 1.247 77 L HN 1.045 nan 8.230 nan 0.000 0.421 78 T N 3.479 117.875 114.554 -0.264 0.000 2.815 78 T HA 0.454 4.803 4.350 -0.000 0.000 0.289 78 T C -0.802 173.759 174.700 -0.231 0.000 1.000 78 T CA -0.587 61.383 62.100 -0.218 0.000 0.958 78 T CB 1.193 69.971 68.868 -0.149 0.000 0.944 78 T HN 0.629 nan 8.240 nan 0.000 0.442 79 V N 6.635 126.385 119.914 -0.273 0.000 2.408 79 V HA 0.612 4.732 4.120 -0.000 0.000 0.267 79 V C 0.520 176.434 176.094 -0.301 0.000 1.047 79 V CA 0.178 62.255 62.300 -0.372 0.000 0.937 79 V CB 0.413 32.032 31.823 -0.340 0.000 0.999 79 V HN 1.202 nan 8.190 nan 0.000 0.472 80 T N 2.541 116.896 114.554 -0.332 0.000 2.912 80 T HA 0.420 4.769 4.350 -0.000 0.000 0.280 80 T C 0.567 175.146 174.700 -0.202 0.000 0.989 80 T CA 0.103 62.070 62.100 -0.221 0.000 0.995 80 T CB 1.332 70.086 68.868 -0.189 0.000 1.077 80 T HN 1.505 nan 8.240 nan 0.000 0.531 81 S N 0.055 115.678 115.700 -0.129 0.000 3.477 81 S HA -0.156 4.314 4.470 -0.000 0.000 0.371 81 S C 0.526 175.089 174.600 -0.063 0.000 0.965 81 S CA 0.081 58.229 58.200 -0.087 0.000 1.239 81 S CB -1.979 61.172 63.200 -0.083 0.000 0.918 81 S HN 1.558 nan 8.310 nan 0.000 0.498 82 A N 1.681 124.464 122.820 -0.062 0.000 2.531 82 A HA 0.449 4.769 4.320 -0.000 0.000 0.236 82 A C -0.020 177.595 177.584 0.052 0.000 1.062 82 A CA 0.752 52.774 52.037 -0.026 0.000 0.760 82 A CB 0.114 19.092 19.000 -0.036 0.000 0.995 82 A HN 0.944 nan 8.150 nan 0.000 0.501 83 H N 1.953 121.016 119.070 -0.012 0.000 2.717 83 H HA 0.472 5.027 4.556 -0.000 0.000 0.366 83 H C -2.226 173.130 175.328 0.047 0.000 1.132 83 H CA -1.640 54.417 56.048 0.015 0.000 1.180 83 H CB 2.034 31.807 29.762 0.019 0.000 1.678 83 H HN 0.305 nan 8.280 nan 0.000 0.537 84 P HA -0.272 nan 4.420 nan 0.000 0.219 84 P C 0.775 178.165 177.300 0.149 0.000 1.151 84 P CA 2.132 65.184 63.100 -0.080 0.000 0.850 84 P CB 0.143 31.722 31.700 -0.202 0.000 0.784 85 E N -0.932 119.519 120.200 0.417 0.000 2.478 85 E HA -0.153 4.197 4.350 -0.000 0.000 0.198 85 E C 0.727 177.518 176.600 0.317 0.000 1.046 85 E CA 0.786 57.406 56.400 0.367 0.000 0.870 85 E CB -0.623 29.293 29.700 0.360 0.000 0.818 85 E HN 0.256 nan 8.360 nan 0.000 0.527 86 D N 1.029 121.615 120.400 0.309 0.000 2.348 86 D HA 0.025 4.664 4.640 -0.000 0.000 0.211 86 D C 0.076 176.577 176.300 0.336 0.000 0.998 86 D CA 0.187 54.394 54.000 0.345 0.000 0.873 86 D CB 0.219 41.205 40.800 0.309 0.000 0.925 86 D HN 0.006 nan 8.370 nan 0.000 0.524 87 S N 0.452 116.297 115.700 0.241 0.000 2.573 87 S HA 0.383 4.853 4.470 -0.000 0.000 0.297 87 S C 0.781 175.482 174.600 0.169 0.000 1.280 87 S CA 0.380 58.703 58.200 0.205 0.000 1.061 87 S CB 0.919 64.207 63.200 0.146 0.000 0.812 87 S HN 0.462 nan 8.310 nan 0.000 0.500 88 G N 1.403 110.298 108.800 0.159 0.000 2.337 88 G HA2 0.330 4.290 3.960 -0.000 0.000 0.298 88 G HA3 0.330 4.290 3.960 -0.000 0.000 0.298 88 G C -1.862 173.073 174.900 0.058 0.000 1.335 88 G CA -1.051 44.060 45.100 0.018 0.000 0.875 88 G HN 0.449 nan 8.290 nan 0.000 0.579 89 F N 0.957 120.789 119.950 -0.195 0.000 2.411 89 F HA 0.723 5.250 4.527 -0.000 0.000 0.350 89 F C -0.559 175.096 175.800 -0.241 0.000 1.114 89 F CA -0.826 57.117 58.000 -0.094 0.000 1.135 89 F CB 0.845 39.818 39.000 -0.045 0.000 1.120 89 F HN 0.334 nan 8.300 nan 0.000 0.495 90 Y N 5.226 125.388 120.300 -0.231 0.000 2.334 90 Y HA 0.518 5.068 4.550 -0.000 0.000 0.336 90 Y C -0.386 175.508 175.900 -0.009 0.000 0.960 90 Y CA -0.890 57.201 58.100 -0.015 0.000 1.164 90 Y CB 1.713 40.212 38.460 0.066 0.000 1.155 90 Y HN 0.395 nan 8.280 nan 0.000 0.478 91 V N 4.647 124.714 119.914 0.256 0.000 2.531 91 V HA 0.701 4.820 4.120 -0.000 0.000 0.301 91 V C -0.178 176.034 176.094 0.196 0.000 1.034 91 V CA -0.883 61.522 62.300 0.174 0.000 0.865 91 V CB 0.517 32.439 31.823 0.164 0.000 0.995 91 V HN 1.007 nan 8.190 nan 0.000 0.424 92 c N 4.358 122.829 118.600 -0.215 0.000 2.352 92 c HA 1.038 5.607 4.570 -0.000 0.000 0.387 92 c C 0.357 174.331 174.090 -0.194 0.000 1.294 92 c CA 0.237 56.238 56.329 -0.546 0.000 2.137 92 c CB 0.907 42.596 42.510 -1.368 0.000 2.146 92 c HN 1.932 nan 8.230 nan 0.000 0.559 93 S N -0.113 115.436 115.700 -0.253 0.000 2.558 93 S HA 0.690 5.160 4.470 -0.000 0.000 0.277 93 S C -0.962 173.555 174.600 -0.138 0.000 1.143 93 S CA 0.067 58.071 58.200 -0.327 0.000 0.865 93 S CB 0.599 63.236 63.200 -0.938 0.000 1.102 93 S HN 2.370 nan 8.310 nan 0.000 0.454 94 A N 1.534 124.295 122.820 -0.098 0.000 2.320 94 A HA 0.897 5.217 4.320 -0.000 0.000 0.334 94 A C -0.688 176.944 177.584 0.080 0.000 1.147 94 A CA -0.885 51.149 52.037 -0.004 0.000 0.820 94 A CB 0.559 19.525 19.000 -0.056 0.000 1.218 94 A HN 1.621 nan 8.150 nan 0.000 0.482 95 L N -0.874 120.389 121.223 0.066 0.000 2.341 95 L HA 0.937 5.277 4.340 -0.000 0.000 0.267 95 L C 0.016 176.865 176.870 -0.034 0.000 1.009 95 L CA -1.097 53.786 54.840 0.071 0.000 0.819 95 L CB 1.329 43.467 42.059 0.131 0.000 1.323 95 L HN 0.744 nan 8.230 nan 0.000 0.425 96 A N 0.674 123.567 122.820 0.121 0.000 2.276 96 A HA 0.790 5.110 4.320 -0.000 0.000 0.316 96 A C 0.468 178.218 177.584 0.277 0.000 1.229 96 A CA -0.014 52.115 52.037 0.153 0.000 0.851 96 A CB 0.197 19.275 19.000 0.130 0.000 1.165 96 A HN 1.094 nan 8.150 nan 0.000 0.513 97 G N 0.903 109.949 108.800 0.410 0.000 2.606 97 G HA2 0.405 4.365 3.960 -0.000 0.000 0.252 97 G HA3 0.405 4.365 3.960 -0.000 0.000 0.252 97 G C 0.700 175.653 174.900 0.088 0.000 1.206 97 G CA 0.359 45.610 45.100 0.253 0.000 0.861 97 G HN 0.666 nan 8.290 nan 0.000 0.561 98 S N 0.008 115.712 115.700 0.007 0.000 2.433 98 S HA 0.324 4.794 4.470 -0.000 0.000 0.216 98 S C 1.982 176.573 174.600 -0.015 0.000 1.031 98 S CA 0.871 59.012 58.200 -0.099 0.000 0.931 98 S CB -0.824 62.308 63.200 -0.114 0.000 0.875 98 S HN 1.559 nan 8.310 nan 0.000 0.553 99 G N 1.235 110.042 108.800 0.013 0.000 2.602 99 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.317 99 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.317 99 G C 0.716 175.639 174.900 0.038 0.000 1.327 99 G CA 0.784 45.906 45.100 0.038 0.000 0.971 99 G HN 0.533 nan 8.290 nan 0.000 0.540 100 S N -1.764 113.977 115.700 0.069 0.000 3.799 100 S HA 0.546 5.016 4.470 -0.000 0.000 0.170 100 S C 0.409 175.084 174.600 0.124 0.000 0.840 100 S CA 1.094 59.339 58.200 0.076 0.000 1.025 100 S CB 0.168 63.397 63.200 0.048 0.000 1.455 100 S HN 2.105 nan 8.310 nan 0.000 0.804 101 S N 2.168 117.929 115.700 0.102 0.000 3.066 101 S HA -0.057 4.412 4.470 -0.000 0.000 0.845 101 S C -0.208 174.424 174.600 0.052 0.000 0.957 101 S CA 0.500 58.739 58.200 0.064 0.000 1.344 101 S CB -1.663 61.569 63.200 0.052 0.000 0.987 101 S HN 1.681 nan 8.310 nan 0.000 0.359 102 T N -1.034 113.544 114.554 0.040 0.000 3.357 102 T HA 0.002 4.352 4.350 -0.000 0.000 0.422 102 T C -0.627 174.100 174.700 0.044 0.000 0.768 102 T CA 1.307 63.426 62.100 0.033 0.000 2.153 102 T CB -1.297 67.587 68.868 0.025 0.000 1.688 102 T HN 1.158 nan 8.240 nan 0.000 0.659 106 Q N 1.293 121.036 119.800 -0.095 0.000 2.322 106 Q HA 0.549 4.889 4.340 -0.000 0.000 0.265 106 Q C -1.547 174.341 176.000 -0.188 0.000 0.985 106 Q CA -0.727 54.996 55.803 -0.133 0.000 0.849 106 Q CB 1.031 29.606 28.738 -0.272 0.000 1.274 106 Q HN 0.641 nan 8.270 nan 0.000 0.449 107 Y N 2.600 122.800 120.300 -0.167 0.000 2.328 107 Y HA 0.348 4.898 4.550 -0.000 0.000 0.337 107 Y C -0.525 175.268 175.900 -0.178 0.000 1.008 107 Y CA -0.410 57.653 58.100 -0.061 0.000 1.129 107 Y CB 0.728 39.168 38.460 -0.033 0.000 1.185 107 Y HN 0.505 nan 8.280 nan 0.000 0.476 108 F N 1.101 121.100 119.950 0.081 0.000 2.399 108 F HA 0.605 5.132 4.527 -0.000 0.000 0.328 108 F C 1.071 176.885 175.800 0.023 0.000 1.084 108 F CA -0.706 57.307 58.000 0.022 0.000 1.053 108 F CB 1.040 40.019 39.000 -0.035 0.000 1.209 108 F HN 0.571 nan 8.300 nan 0.000 0.502 109 G N 1.466 110.355 108.800 0.147 0.000 2.599 109 G HA2 0.319 4.279 3.960 -0.000 0.000 0.264 109 G HA3 0.319 4.279 3.960 -0.000 0.000 0.264 109 G C -1.825 173.158 174.900 0.137 0.000 1.200 109 G CA -1.044 44.104 45.100 0.081 0.000 0.896 109 G HN 0.477 nan 8.290 nan 0.000 0.536 110 P HA 0.120 nan 4.420 nan 0.000 0.229 110 P C 0.896 178.323 177.300 0.210 0.000 1.160 110 P CA 1.249 64.442 63.100 0.155 0.000 0.777 110 P CB 0.162 31.940 31.700 0.130 0.000 0.814 111 G N -0.736 108.085 108.800 0.035 0.000 2.663 111 G HA2 0.043 4.003 3.960 -0.000 0.000 0.686 111 G HA3 0.043 4.003 3.960 -0.000 0.000 0.686 111 G C -0.934 173.672 174.900 -0.490 0.000 1.246 111 G CA -0.328 44.541 45.100 -0.385 0.000 0.795 111 G HN 0.426 nan 8.290 nan 0.000 0.627 112 T N 0.386 114.483 114.554 -0.761 0.000 2.991 112 T HA 0.572 4.922 4.350 -0.000 0.000 0.303 112 T C -0.513 174.049 174.700 -0.231 0.000 1.015 112 T CA -0.384 61.542 62.100 -0.290 0.000 1.007 112 T CB 1.734 70.585 68.868 -0.029 0.000 1.034 112 T HN 0.685 nan 8.240 nan 0.000 0.446 113 Q N 3.107 122.953 119.800 0.076 0.000 2.279 113 Q HA 0.380 4.720 4.340 -0.000 0.000 0.256 113 Q C -0.866 175.253 176.000 0.198 0.000 0.937 113 Q CA -0.519 55.446 55.803 0.270 0.000 0.933 113 Q CB 1.438 30.371 28.738 0.325 0.000 1.189 113 Q HN 0.700 nan 8.270 nan 0.000 0.417 114 L N 3.112 124.490 121.223 0.259 0.000 2.307 114 L HA 0.498 4.838 4.340 -0.000 0.000 0.284 114 L C -0.838 176.137 176.870 0.175 0.000 1.023 114 L CA 0.107 55.065 54.840 0.197 0.000 0.810 114 L CB 2.044 44.242 42.059 0.232 0.000 1.231 114 L HN 0.397 nan 8.230 nan 0.000 0.423 115 T N 4.757 119.378 114.554 0.112 0.000 2.812 115 T HA 0.520 4.869 4.350 -0.000 0.000 0.282 115 T C -1.141 173.596 174.700 0.061 0.000 0.990 115 T CA -0.363 61.791 62.100 0.091 0.000 0.960 115 T CB 1.542 70.453 68.868 0.072 0.000 0.948 115 T HN 0.549 nan 8.240 nan 0.000 0.438 116 V N 6.254 126.201 119.914 0.056 0.000 2.417 116 V HA 0.648 4.768 4.120 -0.000 0.000 0.291 116 V C -0.485 175.606 176.094 -0.005 0.000 1.024 116 V CA -0.725 61.588 62.300 0.021 0.000 0.861 116 V CB 0.542 32.377 31.823 0.020 0.000 0.985 116 V HN 0.797 nan 8.190 nan 0.000 0.436 117 L N 0.000 121.214 121.223 -0.015 0.000 2.949 117 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 117 L CA 0.000 54.824 54.840 -0.026 0.000 0.813 117 L CB 0.000 42.050 42.059 -0.015 0.000 0.961 117 L HN 0.000 nan 8.230 nan 0.000 0.502