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 1bkj_1_B DATA FIRST_RESID 2 DATA SEQUENCE NNTIETILAH RSIRKFTAVP ITDEQRQTII QAGLAASSSS MLQVVSIVRV DATA SEQUENCE TDSEKRNELA QFAGNQAYVE SAAEFLVFCI DYQRHATINP DVQADFTELT DATA SEQUENCE LIGAVDSGIM AQNCLLAAES MGLGGVYIGG LRNSAAQVDE LLGLPENSAV DATA SEQUENCE LFGMCLGHPD QNPEVKPRLP AHVVVHENQY QELNLDDIQS YDQTMQAYYX DATA SEQUENCE XXXXXXXXST WSQEVTGKLA GESRPHILPY LNSKGLAKR 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.513 175.510 0.006 0.000 1.280 2 N CA 0.000 53.053 53.050 0.004 0.000 0.885 2 N CB 0.000 38.489 38.487 0.004 0.000 1.341 3 N N -0.694 118.010 118.700 0.007 0.000 2.188 3 N HA -0.120 4.613 4.740 -0.012 0.000 0.184 3 N C 1.332 176.848 175.510 0.010 0.000 1.018 3 N CA 2.238 55.294 53.050 0.009 0.000 0.858 3 N CB -1.114 37.379 38.487 0.010 0.000 0.989 3 N HN 0.664 nan 8.380 nan 0.000 0.426 4 T N 0.317 114.876 114.554 0.009 0.000 2.746 4 T HA 0.056 4.399 4.350 -0.012 0.000 0.267 4 T C 1.966 176.671 174.700 0.008 0.000 1.039 4 T CA 1.052 63.157 62.100 0.009 0.000 1.142 4 T CB -0.205 68.667 68.868 0.006 0.000 0.866 4 T HN 0.534 nan 8.240 nan 0.000 0.444 5 I N 1.369 121.943 120.570 0.006 0.000 2.353 5 I HA -0.082 4.080 4.170 -0.012 0.000 0.248 5 I C 3.210 179.332 176.117 0.009 0.000 1.119 5 I CA 1.467 62.770 61.300 0.005 0.000 1.417 5 I CB -0.585 37.416 38.000 0.002 0.000 1.078 5 I HN 0.334 nan 8.210 nan 0.000 0.421 6 E N 0.690 120.897 120.200 0.010 0.000 2.106 6 E HA -0.200 4.143 4.350 -0.012 0.000 0.192 6 E C 2.147 178.759 176.600 0.020 0.000 0.984 6 E CA 1.984 58.392 56.400 0.013 0.000 0.806 6 E CB -1.273 28.434 29.700 0.011 0.000 0.750 6 E HN 0.487 nan 8.360 nan 0.000 0.458 7 T N 0.384 114.952 114.554 0.023 0.000 2.770 7 T HA 0.022 4.364 4.350 -0.012 0.000 0.263 7 T C 2.132 176.860 174.700 0.046 0.000 1.039 7 T CA 1.139 63.259 62.100 0.033 0.000 1.142 7 T CB -0.268 68.617 68.868 0.028 0.000 0.868 7 T HN 0.426 nan 8.240 nan 0.000 0.435 8 I N 0.941 121.530 120.570 0.032 0.000 2.163 8 I HA -0.142 4.021 4.170 -0.012 0.000 0.243 8 I C 2.113 178.261 176.117 0.051 0.000 1.085 8 I CA 1.379 62.697 61.300 0.031 0.000 1.347 8 I CB -0.374 37.630 38.000 0.007 0.000 1.044 8 I HN 0.190 nan 8.210 nan 0.000 0.408 9 L N 0.328 121.572 121.223 0.035 0.000 2.376 9 L HA -0.049 4.284 4.340 -0.012 0.000 0.219 9 L C 2.309 179.203 176.870 0.041 0.000 1.133 9 L CA 0.533 55.392 54.840 0.032 0.000 0.816 9 L CB -0.498 41.569 42.059 0.012 0.000 0.933 9 L HN 0.207 nan 8.230 nan 0.000 0.449 10 A N -1.496 121.353 122.820 0.049 0.000 2.275 10 A HA -0.039 4.274 4.320 -0.012 0.000 0.212 10 A C 0.675 178.284 177.584 0.041 0.000 1.201 10 A CA -0.185 51.873 52.037 0.035 0.000 0.843 10 A CB -0.788 18.228 19.000 0.027 0.000 0.873 10 A HN 0.440 nan 8.150 nan 0.000 0.492 11 H N 2.112 121.183 119.070 0.001 0.000 2.815 11 H HA 0.438 4.988 4.556 -0.010 0.000 0.350 11 H C 0.301 175.630 175.328 0.002 0.000 1.080 11 H CA 0.375 56.427 56.048 0.007 0.000 1.433 11 H CB 0.392 30.162 29.762 0.013 0.000 1.432 11 H HN 0.425 nan 8.280 nan 0.000 0.592 12 R N 2.802 122.771 120.500 -0.884 0.000 2.594 12 R HA 0.299 4.632 4.340 -0.012 0.000 0.265 12 R C -1.440 174.498 176.300 -0.604 0.000 1.070 12 R CA -0.843 54.853 56.100 -0.673 0.000 0.909 12 R CB 0.621 30.767 30.300 -0.257 0.000 1.243 12 R HN 0.556 nan 8.270 nan 0.000 0.455 13 S N 2.761 118.256 115.700 -0.342 0.000 2.531 13 S HA 0.281 4.744 4.470 -0.012 0.000 0.279 13 S C 0.358 174.888 174.600 -0.117 0.000 1.305 13 S CA -0.361 57.790 58.200 -0.081 0.000 1.058 13 S CB 0.163 63.385 63.200 0.036 0.000 0.899 13 S HN 0.326 nan 8.310 nan 0.000 0.493 14 I N 4.076 124.588 120.570 -0.097 0.000 2.339 14 I HA 0.344 4.506 4.170 -0.012 0.000 0.290 14 I C 0.947 176.806 176.117 -0.431 0.000 0.994 14 I CA -0.080 61.069 61.300 -0.252 0.000 1.191 14 I CB 1.215 39.087 38.000 -0.213 0.000 1.343 14 I HN 0.684 nan 8.210 nan 0.000 0.458 15 R N 4.213 124.364 120.500 -0.581 0.000 2.596 15 R HA 0.282 4.614 4.340 -0.012 0.000 0.369 15 R C -0.200 175.737 176.300 -0.606 0.000 1.042 15 R CA -0.222 55.411 56.100 -0.778 0.000 1.120 15 R CB 0.869 30.593 30.300 -0.961 0.000 1.353 15 R HN 0.365 nan 8.270 nan 0.000 0.564 16 K N 0.959 120.891 120.400 -0.780 0.000 2.565 16 K HA 0.335 4.648 4.320 -0.012 0.000 0.249 16 K C -1.478 174.720 176.600 -0.670 0.000 0.958 16 K CA -0.382 55.627 56.287 -0.464 0.000 0.806 16 K CB 1.726 34.086 32.500 -0.232 0.000 1.194 16 K HN -0.146 nan 8.250 nan 0.000 0.434 17 F N 0.117 120.109 119.950 0.070 0.000 2.579 17 F HA 0.357 4.877 4.527 -0.012 0.000 0.324 17 F C 1.235 177.081 175.800 0.077 0.000 1.058 17 F CA -0.807 57.243 58.000 0.082 0.000 0.944 17 F CB 1.598 40.658 39.000 0.100 0.000 1.245 17 F HN 0.395 nan 8.300 nan 0.000 0.477 18 T N -1.553 113.173 114.554 0.287 0.000 2.824 18 T HA 0.544 4.887 4.350 -0.012 0.000 0.277 18 T C 0.823 175.622 174.700 0.164 0.000 0.975 18 T CA -0.214 61.988 62.100 0.169 0.000 0.966 18 T CB 1.418 70.352 68.868 0.110 0.000 1.054 18 T HN 0.738 nan 8.240 nan 0.000 0.533 19 A N 0.491 123.368 122.820 0.095 0.000 2.238 19 A HA 0.423 4.736 4.320 -0.012 0.000 0.208 19 A C 0.861 178.480 177.584 0.057 0.000 1.177 19 A CA -0.338 51.743 52.037 0.074 0.000 0.804 19 A CB -0.600 18.428 19.000 0.048 0.000 0.823 19 A HN 0.702 nan 8.150 nan 0.000 0.482 20 V N 3.303 123.243 119.914 0.044 0.000 2.479 20 V HA 0.153 4.265 4.120 -0.012 0.000 0.281 20 V C -1.677 174.486 176.094 0.115 0.000 1.031 20 V CA -1.284 61.012 62.300 -0.007 0.000 1.038 20 V CB 0.420 32.098 31.823 -0.242 0.000 0.981 20 V HN 0.401 nan 8.190 nan 0.000 0.478 21 P HA 0.347 nan 4.420 nan 0.000 0.276 21 P C -0.507 176.892 177.300 0.164 0.000 1.252 21 P CA -0.481 62.684 63.100 0.109 0.000 0.802 21 P CB 1.285 33.020 31.700 0.058 0.000 1.035 22 I N 1.089 121.721 120.570 0.103 0.000 2.342 22 I HA 0.110 4.273 4.170 -0.012 0.000 0.291 22 I C 1.514 177.665 176.117 0.057 0.000 1.010 22 I CA -0.329 61.016 61.300 0.074 0.000 1.308 22 I CB 1.155 39.157 38.000 0.003 0.000 1.400 22 I HN 0.414 nan 8.210 nan 0.000 0.488 23 T N 0.950 115.542 114.554 0.063 0.000 2.802 23 T HA 0.044 4.387 4.350 -0.012 0.000 0.305 23 T C 0.869 175.583 174.700 0.024 0.000 1.053 23 T CA -0.592 61.534 62.100 0.042 0.000 1.058 23 T CB 0.933 69.828 68.868 0.044 0.000 0.988 23 T HN 0.486 nan 8.240 nan 0.000 0.539 24 D N 1.170 121.581 120.400 0.018 0.000 2.178 24 D HA -0.029 4.604 4.640 -0.012 0.000 0.201 24 D C 2.490 178.795 176.300 0.008 0.000 0.980 24 D CA 1.760 55.765 54.000 0.010 0.000 0.842 24 D CB -0.599 40.205 40.800 0.007 0.000 0.948 24 D HN 0.927 nan 8.370 nan 0.000 0.472 25 E N 1.027 121.235 120.200 0.012 0.000 2.106 25 E HA -0.176 4.167 4.350 -0.012 0.000 0.192 25 E C 1.949 178.556 176.600 0.011 0.000 0.984 25 E CA 1.006 57.412 56.400 0.011 0.000 0.806 25 E CB -0.801 28.908 29.700 0.014 0.000 0.750 25 E HN 0.400 nan 8.360 nan 0.000 0.458 26 Q N -1.051 118.757 119.800 0.014 0.000 2.083 26 Q HA -0.026 4.307 4.340 -0.012 0.000 0.198 26 Q C 2.521 178.522 176.000 0.002 0.000 0.969 26 Q CA 1.202 57.010 55.803 0.009 0.000 0.838 26 Q CB 0.004 28.749 28.738 0.011 0.000 0.900 26 Q HN 0.446 nan 8.270 nan 0.000 0.436 27 R N 0.431 120.931 120.500 0.000 0.000 2.075 27 R HA -0.179 4.154 4.340 -0.012 0.000 0.232 27 R C 2.502 178.799 176.300 -0.006 0.000 1.126 27 R CA 1.668 57.765 56.100 -0.006 0.000 0.963 27 R CB -0.151 30.144 30.300 -0.009 0.000 0.858 27 R HN 0.272 nan 8.270 nan 0.000 0.435 28 Q N -0.330 119.468 119.800 -0.003 0.000 2.170 28 Q HA -0.106 4.227 4.340 -0.012 0.000 0.203 28 Q C 1.936 177.937 176.000 0.001 0.000 0.976 28 Q CA 1.973 57.774 55.803 -0.003 0.000 0.858 28 Q CB -1.020 27.716 28.738 -0.002 0.000 0.907 28 Q HN 0.487 nan 8.270 nan 0.000 0.433 29 T N 0.583 115.140 114.554 0.004 0.000 2.812 29 T HA 0.039 4.382 4.350 -0.012 0.000 0.264 29 T C 1.992 176.698 174.700 0.010 0.000 1.042 29 T CA 1.104 63.209 62.100 0.007 0.000 1.140 29 T CB -0.221 68.651 68.868 0.008 0.000 0.870 29 T HN 0.555 nan 8.240 nan 0.000 0.445 30 I N 0.912 121.488 120.570 0.009 0.000 2.286 30 I HA -0.139 4.023 4.170 -0.012 0.000 0.248 30 I C 2.100 178.234 176.117 0.029 0.000 1.115 30 I CA 0.897 62.207 61.300 0.017 0.000 1.392 30 I CB -0.295 37.712 38.000 0.011 0.000 1.065 30 I HN 0.194 nan 8.210 nan 0.000 0.418 31 I N 0.803 121.382 120.570 0.016 0.000 2.233 31 I HA -0.258 3.905 4.170 -0.012 0.000 0.243 31 I C 3.147 179.276 176.117 0.019 0.000 1.093 31 I CA 1.826 63.134 61.300 0.014 0.000 1.380 31 I CB -1.733 36.260 38.000 -0.013 0.000 1.067 31 I HN 0.323 nan 8.210 nan 0.000 0.413 32 Q N 0.822 120.630 119.800 0.013 0.000 2.226 32 Q HA -0.063 4.270 4.340 -0.012 0.000 0.204 32 Q C 2.399 178.412 176.000 0.020 0.000 0.975 32 Q CA 1.764 57.574 55.803 0.013 0.000 0.866 32 Q CB -0.986 27.757 28.738 0.008 0.000 0.915 32 Q HN 0.616 nan 8.270 nan 0.000 0.440 33 A N 0.565 123.400 122.820 0.025 0.000 1.929 33 A HA 0.268 4.581 4.320 -0.012 0.000 0.216 33 A C 2.678 180.287 177.584 0.041 0.000 1.176 33 A CA 1.596 53.650 52.037 0.028 0.000 0.628 33 A CB -0.819 18.197 19.000 0.026 0.000 0.816 33 A HN 0.708 nan 8.150 nan 0.000 0.444 34 G N -0.018 108.817 108.800 0.059 0.000 2.402 34 G HA2 -0.141 3.812 3.960 -0.012 0.000 0.216 34 G HA3 -0.141 3.812 3.960 -0.012 0.000 0.216 34 G C 1.501 176.446 174.900 0.074 0.000 1.162 34 G CA 0.996 46.151 45.100 0.092 0.000 0.777 34 G HN 0.424 nan 8.290 nan 0.000 0.539 35 L N 0.705 121.958 121.223 0.050 0.000 2.201 35 L HA 0.022 4.355 4.340 -0.012 0.000 0.212 35 L C 3.156 180.044 176.870 0.029 0.000 1.105 35 L CA 0.715 55.576 54.840 0.035 0.000 0.775 35 L CB -0.236 41.834 42.059 0.018 0.000 0.913 35 L HN 0.294 nan 8.230 nan 0.000 0.440 36 A N 0.206 123.042 122.820 0.028 0.000 2.209 36 A HA 0.247 4.560 4.320 -0.012 0.000 0.212 36 A C 1.345 178.943 177.584 0.024 0.000 1.158 36 A CA 0.581 52.632 52.037 0.022 0.000 0.742 36 A CB -0.515 18.496 19.000 0.019 0.000 0.790 36 A HN 0.296 nan 8.150 nan 0.000 0.472 37 A N 0.092 122.931 122.820 0.032 0.000 2.425 37 A HA 0.496 4.809 4.320 -0.012 0.000 0.242 37 A C 0.779 178.381 177.584 0.030 0.000 1.077 37 A CA -0.124 51.933 52.037 0.033 0.000 0.781 37 A CB -0.005 19.021 19.000 0.044 0.000 1.020 37 A HN 0.349 nan 8.150 nan 0.000 0.494 38 S N 0.355 116.071 115.700 0.026 0.000 2.573 38 S HA 0.343 4.805 4.470 -0.012 0.000 0.277 38 S C 0.440 175.057 174.600 0.029 0.000 1.346 38 S CA 0.188 58.402 58.200 0.024 0.000 1.034 38 S CB 0.629 63.841 63.200 0.020 0.000 0.879 38 S HN 0.917 nan 8.310 nan 0.000 0.528 39 S N 1.464 117.181 115.700 0.028 0.000 2.594 39 S HA 0.384 4.847 4.470 -0.012 0.000 0.296 39 S C -0.540 174.080 174.600 0.033 0.000 1.124 39 S CA -0.791 57.428 58.200 0.032 0.000 1.011 39 S CB 0.821 64.040 63.200 0.032 0.000 1.016 39 S HN 0.588 nan 8.310 nan 0.000 0.485 40 S N 3.626 119.347 115.700 0.036 0.000 2.555 40 S HA 0.120 4.583 4.470 -0.012 0.000 0.293 40 S C 0.881 175.506 174.600 0.041 0.000 1.248 40 S CA 0.215 58.437 58.200 0.037 0.000 1.096 40 S CB 0.203 63.430 63.200 0.045 0.000 0.881 40 S HN 1.076 nan 8.310 nan 0.000 0.498 41 S N 2.379 118.099 115.700 0.034 0.000 3.402 41 S HA -0.251 4.212 4.470 -0.012 0.000 0.329 41 S C 0.782 175.408 174.600 0.042 0.000 1.194 41 S CA 0.899 59.120 58.200 0.034 0.000 0.951 41 S CB -1.456 61.765 63.200 0.036 0.000 0.975 41 S HN 1.039 nan 8.310 nan 0.000 0.574 42 M N -1.830 117.793 119.600 0.040 0.000 2.682 42 M HA -0.219 4.254 4.480 -0.012 0.000 0.196 42 M C 0.532 176.869 176.300 0.061 0.000 0.542 42 M CA 0.999 56.323 55.300 0.040 0.000 0.593 42 M CB -1.723 30.896 32.600 0.031 0.000 2.183 42 M HN 0.537 nan 8.290 nan 0.000 0.663 43 L N -0.363 120.907 121.223 0.080 0.000 2.201 43 L HA -0.095 4.238 4.340 -0.012 0.000 0.212 43 L C 1.115 178.090 176.870 0.176 0.000 1.105 43 L CA 1.002 55.928 54.840 0.143 0.000 0.775 43 L CB -0.331 41.788 42.059 0.100 0.000 0.913 43 L HN 0.591 nan 8.230 nan 0.000 0.440 44 Q N -0.234 119.610 119.800 0.073 0.000 2.443 44 Q HA -0.162 4.171 4.340 -0.012 0.000 0.362 44 Q C 0.505 176.522 176.000 0.027 0.000 1.423 44 Q CA 0.429 56.254 55.803 0.035 0.000 1.037 44 Q CB -1.190 27.555 28.738 0.012 0.000 1.208 44 Q HN 0.491 nan 8.270 nan 0.000 0.334 45 V N -2.551 117.334 119.914 -0.050 0.000 3.342 45 V HA 0.295 4.408 4.120 -0.012 0.000 0.322 45 V C 0.463 176.470 176.094 -0.145 0.000 1.370 45 V CA -0.158 62.017 62.300 -0.208 0.000 1.170 45 V CB 0.764 32.243 31.823 -0.574 0.000 1.101 45 V HN 0.219 nan 8.190 nan 0.000 0.442 46 V N 0.524 120.408 119.914 -0.051 0.000 2.483 46 V HA 0.633 4.746 4.120 -0.012 0.000 0.295 46 V C 0.184 176.253 176.094 -0.041 0.000 1.035 46 V CA -0.013 62.278 62.300 -0.014 0.000 0.896 46 V CB 1.481 33.347 31.823 0.071 0.000 0.986 46 V HN 0.424 nan 8.190 nan 0.000 0.447 47 S N 4.301 119.958 115.700 -0.071 0.000 2.513 47 S HA 0.744 5.207 4.470 -0.012 0.000 0.299 47 S C -0.649 173.822 174.600 -0.215 0.000 1.087 47 S CA -0.449 57.682 58.200 -0.114 0.000 1.012 47 S CB 1.444 64.590 63.200 -0.091 0.000 1.044 47 S HN 0.544 nan 8.310 nan 0.000 0.485 48 I N 2.546 122.950 120.570 -0.277 0.000 2.406 48 I HA 0.432 4.595 4.170 -0.012 0.000 0.290 48 I C -0.908 175.022 176.117 -0.312 0.000 0.999 48 I CA -0.843 60.176 61.300 -0.467 0.000 1.124 48 I CB 1.844 39.506 38.000 -0.562 0.000 1.289 48 I HN 0.220 nan 8.210 nan 0.000 0.441 49 V N 6.660 126.388 119.914 -0.308 0.000 2.328 49 V HA 0.357 4.470 4.120 -0.012 0.000 0.278 49 V C 0.285 176.268 176.094 -0.184 0.000 1.021 49 V CA -0.666 61.522 62.300 -0.185 0.000 0.838 49 V CB 1.309 33.062 31.823 -0.115 0.000 0.999 49 V HN 0.666 nan 8.190 nan 0.000 0.447 50 R N 4.076 124.496 120.500 -0.133 0.000 2.234 50 R HA 0.490 4.823 4.340 -0.012 0.000 0.324 50 R C -1.136 175.152 176.300 -0.021 0.000 1.054 50 R CA -0.324 55.721 56.100 -0.093 0.000 0.912 50 R CB 1.163 31.416 30.300 -0.078 0.000 1.030 50 R HN 0.535 nan 8.270 nan 0.000 0.455 51 V N 5.516 125.454 119.914 0.041 0.000 2.304 51 V HA 0.108 4.221 4.120 -0.012 0.000 0.269 51 V C 1.153 177.294 176.094 0.079 0.000 1.036 51 V CA -0.297 62.059 62.300 0.094 0.000 0.840 51 V CB 0.978 32.927 31.823 0.209 0.000 1.036 51 V HN 1.012 nan 8.190 nan 0.000 0.466 52 T N -0.667 113.912 114.554 0.041 0.000 3.014 52 T HA 0.059 4.402 4.350 -0.012 0.000 0.250 52 T C 0.646 175.358 174.700 0.021 0.000 1.060 52 T CA -0.083 62.034 62.100 0.028 0.000 1.040 52 T CB 0.146 69.023 68.868 0.014 0.000 0.971 52 T HN 0.503 nan 8.240 nan 0.000 0.497 53 D N 2.866 123.279 120.400 0.022 0.000 2.382 53 D HA 0.089 4.722 4.640 -0.012 0.000 0.259 53 D C 1.487 177.791 176.300 0.007 0.000 1.224 53 D CA 0.313 54.322 54.000 0.014 0.000 0.894 53 D CB 1.487 42.298 40.800 0.018 0.000 1.127 53 D HN 0.381 nan 8.370 nan 0.000 0.487 54 S N 2.500 118.199 115.700 -0.003 0.000 2.423 54 S HA -0.185 4.278 4.470 -0.012 0.000 0.231 54 S C 1.821 176.403 174.600 -0.029 0.000 1.014 54 S CA 1.279 59.469 58.200 -0.016 0.000 0.965 54 S CB -0.283 62.909 63.200 -0.014 0.000 0.785 54 S HN 0.564 nan 8.310 nan 0.000 0.495 55 E N 2.025 122.211 120.200 -0.023 0.000 2.107 55 E HA 0.008 4.350 4.350 -0.012 0.000 0.191 55 E C 1.932 178.510 176.600 -0.037 0.000 0.982 55 E CA 1.255 57.636 56.400 -0.032 0.000 0.809 55 E CB -0.782 28.906 29.700 -0.020 0.000 0.756 55 E HN 0.762 nan 8.360 nan 0.000 0.459 56 K N -0.530 119.862 120.400 -0.013 0.000 2.097 56 K HA -0.039 4.274 4.320 -0.012 0.000 0.205 56 K C 2.500 179.088 176.600 -0.020 0.000 1.050 56 K CA 0.763 57.053 56.287 0.006 0.000 0.938 56 K CB -0.008 32.518 32.500 0.043 0.000 0.718 56 K HN 0.096 nan 8.250 nan 0.000 0.442 57 R N 0.401 120.876 120.500 -0.041 0.000 2.081 57 R HA -0.152 4.181 4.340 -0.012 0.000 0.235 57 R C 2.313 178.518 176.300 -0.159 0.000 1.131 57 R CA 1.764 57.799 56.100 -0.108 0.000 0.960 57 R CB -1.424 28.818 30.300 -0.097 0.000 0.856 57 R HN 0.425 nan 8.270 nan 0.000 0.436 58 N N 1.495 120.117 118.700 -0.130 0.000 2.166 58 N HA -0.189 4.544 4.740 -0.012 0.000 0.186 58 N C 1.800 177.180 175.510 -0.216 0.000 1.019 58 N CA 1.557 54.515 53.050 -0.153 0.000 0.856 58 N CB -0.317 38.100 38.487 -0.118 0.000 0.993 58 N HN 0.498 nan 8.380 nan 0.000 0.426 59 E N -0.111 119.950 120.200 -0.231 0.000 2.072 59 E HA 0.040 4.383 4.350 -0.012 0.000 0.191 59 E C 2.018 178.332 176.600 -0.476 0.000 0.985 59 E CA 0.779 56.925 56.400 -0.424 0.000 0.801 59 E CB -0.094 29.425 29.700 -0.302 0.000 0.750 59 E HN 0.578 nan 8.360 nan 0.000 0.452 60 L N 0.547 121.679 121.223 -0.151 0.000 2.141 60 L HA -0.138 4.195 4.340 -0.012 0.000 0.209 60 L C 2.512 179.323 176.870 -0.099 0.000 1.094 60 L CA 0.772 55.620 54.840 0.013 0.000 0.763 60 L CB -0.360 41.708 42.059 0.015 0.000 0.908 60 L HN 0.149 nan 8.230 nan 0.000 0.437 61 A N -0.237 122.452 122.820 -0.218 0.000 1.930 61 A HA -0.229 4.084 4.320 -0.012 0.000 0.217 61 A C 2.446 179.927 177.584 -0.172 0.000 1.175 61 A CA 1.941 53.841 52.037 -0.228 0.000 0.627 61 A CB -0.730 18.126 19.000 -0.240 0.000 0.815 61 A HN 0.445 nan 8.150 nan 0.000 0.443 62 Q N -1.585 118.085 119.800 -0.217 0.000 2.123 62 Q HA -0.015 4.318 4.340 -0.012 0.000 0.199 62 Q C 1.866 177.816 176.000 -0.084 0.000 0.966 62 Q CA 1.514 57.197 55.803 -0.200 0.000 0.845 62 Q CB -0.958 27.592 28.738 -0.314 0.000 0.907 62 Q HN 0.673 nan 8.270 nan 0.000 0.439 63 F N 0.797 120.720 119.950 -0.045 0.000 2.234 63 F HA 0.211 4.732 4.527 -0.011 0.000 0.299 63 F C 2.513 178.306 175.800 -0.010 0.000 1.087 63 F CA 0.297 58.281 58.000 -0.027 0.000 1.340 63 F CB -0.580 38.410 39.000 -0.017 0.000 1.031 63 F HN 0.362 nan 8.300 nan 0.000 0.500 64 A N -0.516 122.403 122.820 0.165 0.000 2.235 64 A HA 0.420 4.733 4.320 -0.012 0.000 0.208 64 A C 1.732 179.359 177.584 0.071 0.000 1.172 64 A CA 0.791 52.897 52.037 0.115 0.000 0.786 64 A CB -1.165 17.881 19.000 0.077 0.000 0.804 64 A HN 0.610 nan 8.150 nan 0.000 0.479 65 G N 0.069 108.901 108.800 0.052 0.000 2.207 65 G HA2 -0.185 3.768 3.960 -0.012 0.000 0.216 65 G HA3 -0.185 3.768 3.960 -0.012 0.000 0.216 65 G C -0.061 174.833 174.900 -0.010 0.000 1.053 65 G CA -0.122 44.998 45.100 0.033 0.000 0.764 65 G HN 0.720 nan 8.290 nan 0.000 0.495 66 N N -0.851 117.820 118.700 -0.048 0.000 2.727 66 N HA -0.162 4.571 4.740 -0.012 0.000 0.251 66 N C 0.165 175.590 175.510 -0.141 0.000 1.040 66 N CA 1.673 54.671 53.050 -0.087 0.000 0.712 66 N CB -0.804 37.651 38.487 -0.053 0.000 0.912 66 N HN 0.894 nan 8.380 nan 0.000 0.545 67 Q N -0.250 119.407 119.800 -0.239 0.000 2.456 67 Q HA 0.483 4.816 4.340 -0.012 0.000 0.234 67 Q C 1.245 176.863 176.000 -0.638 0.000 1.061 67 Q CA 0.021 55.499 55.803 -0.541 0.000 0.896 67 Q CB 0.880 29.276 28.738 -0.569 0.000 1.233 67 Q HN 0.415 nan 8.270 nan 0.000 0.506 68 A N 2.622 125.171 122.820 -0.451 0.000 1.986 68 A HA -0.245 4.068 4.320 -0.012 0.000 0.220 68 A C 1.396 178.896 177.584 -0.140 0.000 1.171 68 A CA 1.475 53.380 52.037 -0.221 0.000 0.640 68 A CB -0.650 18.321 19.000 -0.048 0.000 0.811 68 A HN 0.846 nan 8.150 nan 0.000 0.451 69 Y N -1.591 118.762 120.300 0.089 0.000 2.574 69 Y HA 0.075 4.617 4.550 -0.013 0.000 0.294 69 Y C 1.837 177.804 175.900 0.111 0.000 1.142 69 Y CA 0.477 58.695 58.100 0.197 0.000 1.314 69 Y CB -1.185 37.470 38.460 0.325 0.000 0.991 69 Y HN 0.015 nan 8.280 nan 0.000 0.555 70 V N 0.929 120.753 119.914 -0.150 0.000 2.548 70 V HA -0.178 3.935 4.120 -0.012 0.000 0.249 70 V C 2.592 178.487 176.094 -0.332 0.000 1.055 70 V CA 2.123 64.194 62.300 -0.383 0.000 1.065 70 V CB -0.978 30.475 31.823 -0.617 0.000 0.681 70 V HN 0.645 nan 8.190 nan 0.000 0.462 71 E N 0.269 120.354 120.200 -0.191 0.000 2.086 71 E HA -0.174 4.169 4.350 -0.012 0.000 0.190 71 E C 2.225 178.804 176.600 -0.035 0.000 0.975 71 E CA 1.323 57.650 56.400 -0.121 0.000 0.813 71 E CB -0.635 29.004 29.700 -0.101 0.000 0.768 71 E HN 0.799 nan 8.360 nan 0.000 0.457 72 S N -0.179 115.546 115.700 0.043 0.000 2.562 72 S HA 0.534 4.997 4.470 -0.012 0.000 0.221 72 S C 1.378 176.037 174.600 0.098 0.000 0.975 72 S CA 0.351 58.616 58.200 0.109 0.000 0.918 72 S CB -0.222 63.092 63.200 0.190 0.000 0.772 72 S HN 0.854 nan 8.310 nan 0.000 0.531 73 A N 1.109 123.919 122.820 -0.016 0.000 2.445 73 A HA 0.744 5.057 4.320 -0.012 0.000 0.242 73 A C 1.578 179.048 177.584 -0.190 0.000 1.075 73 A CA 0.086 51.907 52.037 -0.360 0.000 0.777 73 A CB -0.132 18.635 19.000 -0.389 0.000 1.013 73 A HN 0.641 nan 8.150 nan 0.000 0.493 74 A N 1.196 123.879 122.820 -0.228 0.000 1.902 74 A HA 0.085 4.398 4.320 -0.012 0.000 0.217 74 A C 0.810 178.364 177.584 -0.050 0.000 1.181 74 A CA 1.292 53.283 52.037 -0.077 0.000 0.623 74 A CB -0.142 18.838 19.000 -0.033 0.000 0.818 74 A HN 0.749 nan 8.150 nan 0.000 0.443 75 E N -2.207 117.948 120.200 -0.074 0.000 2.293 75 E HA 0.539 4.882 4.350 -0.012 0.000 0.270 75 E C -2.007 174.641 176.600 0.079 0.000 0.879 75 E CA -0.518 55.879 56.400 -0.004 0.000 0.756 75 E CB 1.754 31.438 29.700 -0.027 0.000 1.208 75 E HN 0.172 nan 8.360 nan 0.000 0.428 76 F N 3.200 123.118 119.950 -0.054 0.000 2.577 76 F HA 0.409 4.930 4.527 -0.011 0.000 0.344 76 F C -1.416 174.374 175.800 -0.017 0.000 1.145 76 F CA -0.640 57.350 58.000 -0.017 0.000 0.996 76 F CB 0.573 39.572 39.000 -0.002 0.000 1.248 76 F HN 0.283 nan 8.300 nan 0.000 0.447 77 L N 6.432 127.371 121.223 -0.473 0.000 2.309 77 L HA 0.693 5.026 4.340 -0.012 0.000 0.282 77 L C -0.804 175.685 176.870 -0.635 0.000 1.036 77 L CA -1.244 53.317 54.840 -0.465 0.000 0.806 77 L CB 1.750 43.611 42.059 -0.330 0.000 1.220 77 L HN 0.235 nan 8.230 nan 0.000 0.429 78 V N 2.742 122.322 119.914 -0.557 0.000 2.384 78 V HA 0.373 4.486 4.120 -0.012 0.000 0.287 78 V C -0.445 175.347 176.094 -0.504 0.000 1.020 78 V CA -0.426 61.629 62.300 -0.408 0.000 0.850 78 V CB 1.302 32.994 31.823 -0.219 0.000 0.987 78 V HN 0.357 nan 8.190 nan 0.000 0.436 79 F N 3.397 123.091 119.950 -0.427 0.000 2.411 79 F HA 0.579 5.099 4.527 -0.012 0.000 0.350 79 F C 0.510 176.068 175.800 -0.403 0.000 1.114 79 F CA -0.270 57.441 58.000 -0.482 0.000 1.135 79 F CB 1.052 39.557 39.000 -0.824 0.000 1.120 79 F HN 0.410 nan 8.300 nan 0.000 0.495 80 C N 4.520 123.743 119.300 -0.128 0.000 2.634 80 C HA 0.589 5.042 4.460 -0.012 0.000 0.313 80 C C 0.207 175.182 174.990 -0.024 0.000 1.198 80 C CA -1.387 57.594 59.018 -0.061 0.000 1.605 80 C CB 1.385 29.095 27.740 -0.051 0.000 2.196 80 C HN 0.638 nan 8.230 nan 0.000 0.486 81 I N 2.411 122.990 120.570 0.015 0.000 2.529 81 I HA 0.226 4.389 4.170 -0.012 0.000 0.284 81 I C -0.213 175.899 176.117 -0.008 0.000 1.082 81 I CA 1.080 62.391 61.300 0.019 0.000 1.406 81 I CB 0.485 38.547 38.000 0.103 0.000 1.405 81 I HN 0.630 nan 8.210 nan 0.000 0.548 82 D N 5.691 126.023 120.400 -0.114 0.000 2.479 82 D HA 0.208 4.841 4.640 -0.012 0.000 0.246 82 D C -0.673 175.521 176.300 -0.177 0.000 1.336 82 D CA -0.290 53.665 54.000 -0.076 0.000 0.967 82 D CB 0.748 41.517 40.800 -0.050 0.000 1.275 82 D HN 0.310 nan 8.370 nan 0.000 0.577 83 Y N 1.694 122.045 120.300 0.085 0.000 2.531 83 Y HA 0.105 4.644 4.550 -0.017 0.000 0.249 83 Y C 1.889 177.895 175.900 0.177 0.000 1.168 83 Y CA -0.140 58.017 58.100 0.096 0.000 1.226 83 Y CB 0.754 39.178 38.460 -0.059 0.000 1.177 83 Y HN 0.331 nan 8.280 nan 0.000 0.527 84 Q N 0.895 120.825 119.800 0.217 0.000 2.123 84 Q HA -0.072 4.260 4.340 -0.012 0.000 0.199 84 Q C 1.941 178.008 176.000 0.112 0.000 0.966 84 Q CA 1.528 57.413 55.803 0.137 0.000 0.845 84 Q CB 0.032 28.814 28.738 0.073 0.000 0.907 84 Q HN 0.296 nan 8.270 nan 0.000 0.439 85 R N -0.966 119.583 120.500 0.081 0.000 2.091 85 R HA -0.165 4.168 4.340 -0.012 0.000 0.238 85 R C 2.054 178.311 176.300 -0.071 0.000 1.136 85 R CA 1.710 57.779 56.100 -0.053 0.000 0.959 85 R CB -0.377 29.806 30.300 -0.195 0.000 0.856 85 R HN 0.524 nan 8.270 nan 0.000 0.437 86 H N -0.393 118.701 119.070 0.040 0.000 2.395 86 H HA 0.051 4.602 4.556 -0.009 0.000 0.299 86 H C 1.909 177.276 175.328 0.065 0.000 1.070 86 H CA 1.280 57.367 56.048 0.066 0.000 1.356 86 H CB -0.142 29.697 29.762 0.129 0.000 1.401 86 H HN 0.262 nan 8.280 nan 0.000 0.524 87 A N 0.052 122.997 122.820 0.207 0.000 2.014 87 A HA -0.114 4.199 4.320 -0.012 0.000 0.218 87 A C 2.212 179.839 177.584 0.073 0.000 1.163 87 A CA 1.680 53.791 52.037 0.122 0.000 0.652 87 A CB -0.668 18.397 19.000 0.107 0.000 0.808 87 A HN 0.398 nan 8.150 nan 0.000 0.449 88 T N 0.212 114.801 114.554 0.057 0.000 2.857 88 T HA -0.009 4.334 4.350 -0.012 0.000 0.266 88 T C 1.748 176.460 174.700 0.019 0.000 1.048 88 T CA 1.359 63.475 62.100 0.027 0.000 1.139 88 T CB -0.316 68.559 68.868 0.011 0.000 0.874 88 T HN 0.435 nan 8.240 nan 0.000 0.455 89 I N 0.813 121.394 120.570 0.019 0.000 2.252 89 I HA -0.016 4.147 4.170 -0.012 0.000 0.245 89 I C 0.919 177.052 176.117 0.027 0.000 1.102 89 I CA 0.687 61.995 61.300 0.012 0.000 1.385 89 I CB 0.067 38.067 38.000 -0.001 0.000 1.064 89 I HN 0.142 nan 8.210 nan 0.000 0.414 90 N N -0.149 118.579 118.700 0.047 0.000 2.533 90 N HA 0.207 4.940 4.740 -0.012 0.000 0.289 90 N C -2.302 173.239 175.510 0.052 0.000 1.103 90 N CA -1.809 51.268 53.050 0.046 0.000 0.877 90 N CB 1.815 40.334 38.487 0.054 0.000 1.419 90 N HN -0.260 nan 8.380 nan 0.000 0.517 91 P HA 0.051 nan 4.420 nan 0.000 0.225 91 P C 0.621 177.941 177.300 0.032 0.000 1.148 91 P CA 1.319 64.439 63.100 0.034 0.000 0.779 91 P CB 0.127 31.841 31.700 0.023 0.000 0.780 92 D N -0.729 119.691 120.400 0.034 0.000 2.363 92 D HA 0.017 4.650 4.640 -0.012 0.000 0.220 92 D C 0.810 177.134 176.300 0.039 0.000 0.994 92 D CA 0.101 54.120 54.000 0.031 0.000 0.890 92 D CB -0.667 40.150 40.800 0.028 0.000 0.906 92 D HN -0.014 nan 8.370 nan 0.000 0.530 93 V N 1.362 121.307 119.914 0.051 0.000 2.557 93 V HA 0.074 4.187 4.120 -0.012 0.000 0.301 93 V C 0.426 176.543 176.094 0.037 0.000 1.026 93 V CA 0.353 62.688 62.300 0.058 0.000 1.137 93 V CB 0.967 32.847 31.823 0.094 0.000 0.917 93 V HN 0.504 nan 8.190 nan 0.000 0.484 94 Q N 3.815 123.643 119.800 0.047 0.000 2.430 94 Q HA 0.501 4.834 4.340 -0.012 0.000 0.245 94 Q C 0.531 176.533 176.000 0.003 0.000 1.021 94 Q CA -0.146 55.686 55.803 0.048 0.000 0.867 94 Q CB 1.379 30.223 28.738 0.177 0.000 1.210 94 Q HN 0.877 nan 8.270 nan 0.000 0.487 95 A N 2.565 125.322 122.820 -0.105 0.000 2.308 95 A HA -0.032 4.281 4.320 -0.012 0.000 0.217 95 A C 1.018 178.439 177.584 -0.272 0.000 1.216 95 A CA 0.070 51.941 52.037 -0.277 0.000 0.864 95 A CB 0.217 19.069 19.000 -0.247 0.000 0.902 95 A HN 0.726 nan 8.150 nan 0.000 0.499 96 D N -0.935 119.328 120.400 -0.227 0.000 2.349 96 D HA 0.009 4.642 4.640 -0.012 0.000 0.215 96 D C -0.010 176.113 176.300 -0.294 0.000 1.016 96 D CA -0.209 53.627 54.000 -0.274 0.000 0.870 96 D CB -0.418 40.199 40.800 -0.304 0.000 0.917 96 D HN 0.284 nan 8.370 nan 0.000 0.524 97 F N 1.622 121.478 119.950 -0.157 0.000 2.495 97 F HA 0.107 4.634 4.527 -0.001 0.000 0.365 97 F C 2.088 177.819 175.800 -0.116 0.000 1.090 97 F CA 0.025 57.953 58.000 -0.121 0.000 1.235 97 F CB 0.947 39.878 39.000 -0.116 0.000 1.119 97 F HN -0.246 nan 8.300 nan 0.000 0.562 98 T N 0.914 115.527 114.554 0.098 0.000 2.778 98 T HA -0.275 4.068 4.350 -0.012 0.000 0.269 98 T C 1.890 176.619 174.700 0.048 0.000 1.050 98 T CA 1.752 63.878 62.100 0.044 0.000 1.137 98 T CB -0.228 68.661 68.868 0.035 0.000 0.860 98 T HN 0.650 nan 8.240 nan 0.000 0.468 99 E N 1.376 121.615 120.200 0.066 0.000 2.097 99 E HA -0.128 4.214 4.350 -0.012 0.000 0.196 99 E C 1.906 178.525 176.600 0.032 0.000 1.000 99 E CA 1.251 57.671 56.400 0.033 0.000 0.804 99 E CB -0.648 29.051 29.700 -0.002 0.000 0.740 99 E HN 0.521 nan 8.360 nan 0.000 0.454 100 L N -0.161 121.062 121.223 0.001 0.000 2.201 100 L HA -0.082 4.251 4.340 -0.012 0.000 0.212 100 L C 2.290 179.214 176.870 0.089 0.000 1.105 100 L CA 1.468 56.280 54.840 -0.046 0.000 0.775 100 L CB -0.458 41.336 42.059 -0.440 0.000 0.913 100 L HN 0.188 nan 8.230 nan 0.000 0.440 101 T N 0.008 114.594 114.554 0.055 0.000 2.942 101 T HA -0.007 4.336 4.350 -0.012 0.000 0.265 101 T C 2.003 176.765 174.700 0.103 0.000 1.062 101 T CA 0.748 62.906 62.100 0.097 0.000 1.139 101 T CB -0.009 68.887 68.868 0.047 0.000 0.883 101 T HN 0.177 nan 8.240 nan 0.000 0.468 102 L N 0.354 121.623 121.223 0.078 0.000 2.093 102 L HA 0.012 4.344 4.340 -0.012 0.000 0.208 102 L C 2.374 179.293 176.870 0.083 0.000 1.085 102 L CA 1.156 56.037 54.840 0.069 0.000 0.755 102 L CB -0.498 41.589 42.059 0.046 0.000 0.904 102 L HN 0.265 nan 8.230 nan 0.000 0.435 103 I N -0.230 120.401 120.570 0.102 0.000 2.226 103 I HA -0.203 3.960 4.170 -0.012 0.000 0.245 103 I C 2.610 178.798 176.117 0.117 0.000 1.100 103 I CA 1.409 62.775 61.300 0.109 0.000 1.374 103 I CB -0.729 37.355 38.000 0.140 0.000 1.057 103 I HN 0.263 nan 8.210 nan 0.000 0.413 104 G N 0.412 109.308 108.800 0.160 0.000 2.418 104 G HA2 -0.246 3.707 3.960 -0.012 0.000 0.217 104 G HA3 -0.246 3.707 3.960 -0.012 0.000 0.217 104 G C 1.837 176.808 174.900 0.118 0.000 1.158 104 G CA 0.858 46.035 45.100 0.128 0.000 0.771 104 G HN 0.492 nan 8.290 nan 0.000 0.545 105 A N -0.030 122.866 122.820 0.127 0.000 1.873 105 A HA 0.142 4.455 4.320 -0.012 0.000 0.215 105 A C 2.616 180.276 177.584 0.128 0.000 1.186 105 A CA 1.741 53.864 52.037 0.142 0.000 0.616 105 A CB -0.631 18.442 19.000 0.122 0.000 0.823 105 A HN 0.238 nan 8.150 nan 0.000 0.442 106 V N 0.730 120.698 119.914 0.089 0.000 2.261 106 V HA -0.246 3.867 4.120 -0.012 0.000 0.246 106 V C 2.166 178.302 176.094 0.070 0.000 1.047 106 V CA 2.424 64.762 62.300 0.063 0.000 1.015 106 V CB -0.904 30.947 31.823 0.046 0.000 0.642 106 V HN 0.498 nan 8.190 nan 0.000 0.446 107 D N -0.065 120.381 120.400 0.076 0.000 2.178 107 D HA -0.120 4.513 4.640 -0.012 0.000 0.201 107 D C 2.409 178.769 176.300 0.101 0.000 0.980 107 D CA 1.519 55.563 54.000 0.073 0.000 0.842 107 D CB -0.229 40.606 40.800 0.059 0.000 0.948 107 D HN 0.357 nan 8.370 nan 0.000 0.472 108 S N -0.340 115.443 115.700 0.138 0.000 2.383 108 S HA -0.041 4.422 4.470 -0.012 0.000 0.227 108 S C 2.101 176.841 174.600 0.234 0.000 1.026 108 S CA 1.059 59.378 58.200 0.199 0.000 0.981 108 S CB -0.449 62.876 63.200 0.209 0.000 0.818 108 S HN 0.412 nan 8.310 nan 0.000 0.472 109 G N 1.730 110.648 108.800 0.197 0.000 2.418 109 G HA2 -0.121 3.832 3.960 -0.012 0.000 0.217 109 G HA3 -0.121 3.832 3.960 -0.012 0.000 0.217 109 G C 1.332 176.246 174.900 0.024 0.000 1.158 109 G CA 0.589 45.728 45.100 0.066 0.000 0.771 109 G HN 0.474 nan 8.290 nan 0.000 0.545 110 I N 0.218 120.810 120.570 0.036 0.000 2.179 110 I HA -0.166 3.997 4.170 -0.012 0.000 0.242 110 I C 2.774 178.912 176.117 0.036 0.000 1.088 110 I CA 1.405 62.721 61.300 0.026 0.000 1.357 110 I CB -0.219 37.800 38.000 0.031 0.000 1.051 110 I HN 0.220 nan 8.210 nan 0.000 0.409 111 M N 0.854 120.491 119.600 0.062 0.000 2.067 111 M HA -0.214 4.259 4.480 -0.012 0.000 0.260 111 M C 2.457 178.784 176.300 0.045 0.000 1.069 111 M CA 2.291 57.646 55.300 0.092 0.000 1.117 111 M CB -0.161 32.547 32.600 0.181 0.000 1.334 111 M HN 0.247 nan 8.290 nan 0.000 0.407 112 A N -0.275 122.461 122.820 -0.140 0.000 1.940 112 A HA -0.261 4.052 4.320 -0.012 0.000 0.219 112 A C 1.936 179.439 177.584 -0.136 0.000 1.176 112 A CA 2.067 53.845 52.037 -0.433 0.000 0.631 112 A CB -0.897 17.752 19.000 -0.585 0.000 0.814 112 A HN 0.673 nan 8.150 nan 0.000 0.446 113 Q N 0.204 120.004 119.800 0.000 0.000 2.167 113 Q HA -0.118 4.214 4.340 -0.012 0.000 0.202 113 Q C 1.722 177.720 176.000 -0.003 0.000 0.970 113 Q CA 1.946 57.767 55.803 0.029 0.000 0.855 113 Q CB -0.398 28.354 28.738 0.024 0.000 0.911 113 Q HN 0.626 nan 8.270 nan 0.000 0.438 114 N N -1.012 117.694 118.700 0.009 0.000 2.188 114 N HA -0.104 4.628 4.740 -0.012 0.000 0.184 114 N C 1.536 177.059 175.510 0.022 0.000 1.018 114 N CA 1.298 54.358 53.050 0.018 0.000 0.858 114 N CB -0.563 37.944 38.487 0.032 0.000 0.989 114 N HN 0.302 nan 8.380 nan 0.000 0.426 115 C N -0.038 119.284 119.300 0.035 0.000 2.432 115 C HA -0.003 4.450 4.460 -0.012 0.000 0.277 115 C C 2.655 177.648 174.990 0.006 0.000 1.249 115 C CA 0.099 59.149 59.018 0.052 0.000 1.725 115 C CB -1.113 26.715 27.740 0.147 0.000 2.028 115 C HN 0.406 nan 8.230 nan 0.000 0.477 116 L N 0.475 121.670 121.223 -0.046 0.000 2.056 116 L HA -0.049 4.284 4.340 -0.012 0.000 0.207 116 L C 2.289 179.152 176.870 -0.012 0.000 1.078 116 L CA 1.737 56.540 54.840 -0.062 0.000 0.749 116 L CB -0.754 41.215 42.059 -0.150 0.000 0.901 116 L HN 0.296 nan 8.230 nan 0.000 0.433 117 L N -0.881 120.337 121.223 -0.009 0.000 2.083 117 L HA -0.188 4.145 4.340 -0.012 0.000 0.209 117 L C 2.596 179.473 176.870 0.013 0.000 1.083 117 L CA 1.105 55.949 54.840 0.006 0.000 0.752 117 L CB -0.737 41.322 42.059 0.000 0.000 0.899 117 L HN 0.390 nan 8.230 nan 0.000 0.433 118 A N -0.155 122.671 122.820 0.011 0.000 1.898 118 A HA -0.155 4.157 4.320 -0.012 0.000 0.216 118 A C 2.509 180.099 177.584 0.009 0.000 1.181 118 A CA 1.657 53.701 52.037 0.012 0.000 0.620 118 A CB -0.659 18.350 19.000 0.015 0.000 0.819 118 A HN 0.401 nan 8.150 nan 0.000 0.442 119 A N -0.177 122.647 122.820 0.007 0.000 1.873 119 A HA -0.161 4.152 4.320 -0.012 0.000 0.215 119 A C 1.897 179.486 177.584 0.008 0.000 1.186 119 A CA 1.620 53.656 52.037 -0.001 0.000 0.616 119 A CB -0.565 18.433 19.000 -0.003 0.000 0.823 119 A HN 0.616 nan 8.150 nan 0.000 0.442 120 E N 0.272 120.489 120.200 0.028 0.000 2.204 120 E HA -0.141 4.202 4.350 -0.012 0.000 0.195 120 E C 2.208 178.827 176.600 0.033 0.000 0.990 120 E CA 1.279 57.705 56.400 0.044 0.000 0.821 120 E CB -0.146 29.599 29.700 0.076 0.000 0.750 120 E HN 0.806 nan 8.360 nan 0.000 0.477 121 S N 0.083 115.798 115.700 0.024 0.000 2.461 121 S HA -0.036 4.427 4.470 -0.012 0.000 0.228 121 S C 1.834 176.445 174.600 0.019 0.000 1.005 121 S CA 0.493 58.705 58.200 0.021 0.000 0.942 121 S CB -0.042 63.169 63.200 0.018 0.000 0.776 121 S HN 0.152 nan 8.310 nan 0.000 0.514 122 M N 0.789 120.397 119.600 0.013 0.000 2.556 122 M HA 0.288 4.760 4.480 -0.012 0.000 0.245 122 M C 1.544 177.853 176.300 0.015 0.000 1.128 122 M CA 0.656 55.963 55.300 0.011 0.000 1.069 122 M CB 0.253 32.852 32.600 -0.001 0.000 1.469 122 M HN 0.604 nan 8.290 nan 0.000 0.494 123 G N 0.952 109.762 108.800 0.016 0.000 2.163 123 G HA2 -0.182 3.771 3.960 -0.012 0.000 0.213 123 G HA3 -0.182 3.771 3.960 -0.012 0.000 0.213 123 G C -0.017 174.890 174.900 0.011 0.000 0.991 123 G CA -0.460 44.657 45.100 0.029 0.000 0.653 123 G HN 0.340 nan 8.290 nan 0.000 0.518 124 L N 0.058 121.262 121.223 -0.032 0.000 2.469 124 L HA 0.785 5.118 4.340 -0.012 0.000 0.253 124 L C 1.165 178.058 176.870 0.039 0.000 1.143 124 L CA -0.271 54.531 54.840 -0.063 0.000 0.804 124 L CB 1.162 43.147 42.059 -0.123 0.000 1.214 124 L HN 0.241 nan 8.230 nan 0.000 0.476 125 G N -1.467 107.402 108.800 0.116 0.000 2.658 125 G HA2 0.754 4.706 3.960 -0.012 0.000 0.292 125 G HA3 0.754 4.706 3.960 -0.012 0.000 0.292 125 G C -1.191 173.888 174.900 0.298 0.000 1.320 125 G CA -0.282 44.926 45.100 0.180 0.000 0.933 125 G HN 0.871 nan 8.290 nan 0.000 0.476 126 G N -2.301 106.661 108.800 0.270 0.000 2.550 126 G HA2 0.687 4.640 3.960 -0.012 0.000 0.293 126 G HA3 0.687 4.640 3.960 -0.012 0.000 0.293 126 G C -2.004 173.046 174.900 0.250 0.000 1.402 126 G CA 0.054 45.330 45.100 0.293 0.000 0.784 126 G HN 1.679 nan 8.290 nan 0.000 0.482 127 V N -0.562 119.498 119.914 0.243 0.000 3.000 127 V HA 0.645 4.758 4.120 -0.012 0.000 0.300 127 V C -1.649 174.588 176.094 0.239 0.000 1.251 127 V CA -1.029 61.421 62.300 0.249 0.000 0.972 127 V CB 1.619 33.581 31.823 0.232 0.000 1.065 127 V HN 0.786 nan 8.190 nan 0.000 0.431 128 Y N 5.700 126.102 120.300 0.170 0.000 2.336 128 Y HA 0.537 5.080 4.550 -0.011 0.000 0.331 128 Y C 0.632 176.676 175.900 0.240 0.000 1.211 128 Y CA -0.302 57.883 58.100 0.143 0.000 1.346 128 Y CB 1.088 39.509 38.460 -0.066 0.000 1.271 128 Y HN 0.370 nan 8.280 nan 0.000 0.538 129 I N 2.972 123.840 120.570 0.496 0.000 2.502 129 I HA 0.169 4.332 4.170 -0.012 0.000 0.276 129 I C 0.953 177.327 176.117 0.427 0.000 1.057 129 I CA -0.203 61.376 61.300 0.465 0.000 1.163 129 I CB 0.671 39.015 38.000 0.573 0.000 1.288 129 I HN 0.925 nan 8.210 nan 0.000 0.479 130 G N 3.701 112.694 108.800 0.321 0.000 2.712 130 G HA2 -0.049 3.904 3.960 -0.012 0.000 0.212 130 G HA3 -0.049 3.904 3.960 -0.012 0.000 0.212 130 G C 1.390 176.428 174.900 0.230 0.000 1.142 130 G CA 0.568 45.833 45.100 0.273 0.000 0.789 130 G HN 0.655 nan 8.290 nan 0.000 0.535 131 G N 1.157 110.094 108.800 0.227 0.000 2.501 131 G HA2 -0.179 3.774 3.960 -0.012 0.000 0.220 131 G HA3 -0.179 3.774 3.960 -0.012 0.000 0.220 131 G C 1.630 176.638 174.900 0.179 0.000 1.114 131 G CA 0.409 45.620 45.100 0.185 0.000 0.757 131 G HN 0.447 nan 8.290 nan 0.000 0.559 132 L N -0.384 120.969 121.223 0.217 0.000 2.191 132 L HA -0.052 4.281 4.340 -0.012 0.000 0.212 132 L C 2.962 179.887 176.870 0.092 0.000 1.103 132 L CA 0.768 55.718 54.840 0.184 0.000 0.769 132 L CB -0.285 41.910 42.059 0.228 0.000 0.908 132 L HN 0.222 nan 8.230 nan 0.000 0.438 133 R N -0.257 120.310 120.500 0.111 0.000 2.280 133 R HA -0.074 4.259 4.340 -0.012 0.000 0.207 133 R C 1.752 178.150 176.300 0.164 0.000 1.043 133 R CA 0.414 56.561 56.100 0.078 0.000 1.006 133 R CB -0.299 30.056 30.300 0.092 0.000 0.885 133 R HN 0.420 nan 8.270 nan 0.000 0.467 134 N N 0.652 119.435 118.700 0.138 0.000 2.104 134 N HA -0.087 4.646 4.740 -0.012 0.000 0.190 134 N C 0.359 175.845 175.510 -0.040 0.000 1.024 134 N CA 1.288 54.413 53.050 0.125 0.000 0.853 134 N CB 0.089 38.631 38.487 0.092 0.000 1.008 134 N HN -0.027 nan 8.380 nan 0.000 0.424 135 S N -0.361 115.281 115.700 -0.097 0.000 2.422 135 S HA 0.477 4.940 4.470 -0.012 0.000 0.226 135 S C 1.040 175.414 174.600 -0.378 0.000 1.242 135 S CA -0.291 57.735 58.200 -0.289 0.000 1.231 135 S CB 0.979 63.972 63.200 -0.345 0.000 1.067 135 S HN 0.365 nan 8.310 nan 0.000 0.462 136 A N 1.964 124.586 122.820 -0.330 0.000 1.917 136 A HA -0.091 4.222 4.320 -0.012 0.000 0.219 136 A C 2.304 179.454 177.584 -0.723 0.000 1.182 136 A CA 2.051 53.718 52.037 -0.616 0.000 0.633 136 A CB -0.919 17.510 19.000 -0.952 0.000 0.819 136 A HN 0.721 nan 8.150 nan 0.000 0.448 137 A N -1.750 120.778 122.820 -0.487 0.000 1.930 137 A HA 0.081 4.394 4.320 -0.012 0.000 0.217 137 A C 2.374 179.847 177.584 -0.185 0.000 1.175 137 A CA 2.387 54.328 52.037 -0.161 0.000 0.627 137 A CB -0.968 18.023 19.000 -0.017 0.000 0.815 137 A HN 0.857 nan 8.150 nan 0.000 0.443 138 Q N -0.893 118.688 119.800 -0.365 0.000 2.187 138 Q HA 0.115 4.448 4.340 -0.012 0.000 0.199 138 Q C 2.184 177.886 176.000 -0.497 0.000 0.957 138 Q CA 1.486 56.996 55.803 -0.488 0.000 0.857 138 Q CB -1.162 27.062 28.738 -0.856 0.000 0.929 138 Q HN 0.481 nan 8.270 nan 0.000 0.453 139 V N 1.677 121.292 119.914 -0.497 0.000 2.358 139 V HA -0.242 3.871 4.120 -0.012 0.000 0.246 139 V C 2.328 178.385 176.094 -0.061 0.000 1.047 139 V CA 1.991 64.166 62.300 -0.209 0.000 1.035 139 V CB -0.316 31.428 31.823 -0.130 0.000 0.658 139 V HN 0.757 nan 8.190 nan 0.000 0.452 140 D N 0.507 120.870 120.400 -0.062 0.000 2.097 140 D HA -0.209 4.424 4.640 -0.012 0.000 0.195 140 D C 2.251 178.579 176.300 0.046 0.000 0.989 140 D CA 2.010 56.045 54.000 0.058 0.000 0.827 140 D CB 0.255 41.179 40.800 0.207 0.000 0.966 140 D HN 0.545 nan 8.370 nan 0.000 0.456 141 E N 0.784 120.994 120.200 0.016 0.000 2.110 141 E HA -0.163 4.180 4.350 -0.012 0.000 0.193 141 E C 2.101 178.723 176.600 0.036 0.000 0.988 141 E CA 1.084 57.498 56.400 0.024 0.000 0.804 141 E CB -0.976 28.730 29.700 0.010 0.000 0.745 141 E HN 0.291 nan 8.360 nan 0.000 0.458 142 L N -0.343 120.907 121.223 0.046 0.000 2.093 142 L HA 0.061 4.394 4.340 -0.012 0.000 0.208 142 L C 2.279 179.191 176.870 0.070 0.000 1.085 142 L CA 1.487 56.379 54.840 0.086 0.000 0.755 142 L CB -0.034 42.121 42.059 0.161 0.000 0.904 142 L HN 0.381 nan 8.230 nan 0.000 0.435 143 L N -0.692 120.567 121.223 0.060 0.000 2.591 143 L HA 0.263 4.596 4.340 -0.012 0.000 0.228 143 L C 1.351 178.240 176.870 0.033 0.000 1.133 143 L CA 0.447 55.315 54.840 0.047 0.000 0.880 143 L CB -0.767 41.318 42.059 0.044 0.000 1.033 143 L HN 0.478 nan 8.230 nan 0.000 0.450 144 G N 1.352 110.173 108.800 0.035 0.000 2.249 144 G HA2 -0.284 3.669 3.960 -0.012 0.000 0.273 144 G HA3 -0.284 3.669 3.960 -0.012 0.000 0.273 144 G C 0.176 175.092 174.900 0.027 0.000 1.036 144 G CA -0.163 44.954 45.100 0.029 0.000 0.824 144 G HN 0.261 nan 8.290 nan 0.000 0.504 145 L N 1.411 122.655 121.223 0.036 0.000 2.462 145 L HA 0.278 4.611 4.340 -0.012 0.000 0.272 145 L C -0.512 176.378 176.870 0.033 0.000 1.166 145 L CA -1.512 53.350 54.840 0.036 0.000 0.880 145 L CB 0.311 42.404 42.059 0.056 0.000 1.142 145 L HN 0.146 nan 8.230 nan 0.000 0.473 146 P HA 0.194 nan 4.420 nan 0.000 0.289 146 P C -0.291 177.020 177.300 0.018 0.000 1.299 146 P CA -0.391 62.722 63.100 0.021 0.000 0.766 146 P CB 0.401 32.113 31.700 0.020 0.000 1.226 147 E N -0.453 119.755 120.200 0.013 0.000 2.422 147 E HA 0.034 4.376 4.350 -0.012 0.000 0.260 147 E C 0.687 177.300 176.600 0.023 0.000 1.108 147 E CA -0.142 56.260 56.400 0.003 0.000 0.943 147 E CB -0.977 28.723 29.700 -0.000 0.000 0.961 147 E HN 0.556 nan 8.360 nan 0.000 0.443 148 N N -1.192 117.518 118.700 0.017 0.000 2.782 148 N HA -0.149 4.584 4.740 -0.012 0.000 0.251 148 N C -0.452 175.124 175.510 0.110 0.000 1.101 148 N CA 1.419 54.510 53.050 0.067 0.000 0.764 148 N CB -1.593 36.961 38.487 0.111 0.000 1.122 148 N HN 0.720 nan 8.380 nan 0.000 0.561 149 S N -1.142 114.589 115.700 0.052 0.000 2.541 149 S HA 0.874 5.337 4.470 -0.012 0.000 0.280 149 S C -1.272 173.345 174.600 0.028 0.000 1.112 149 S CA 0.173 58.404 58.200 0.053 0.000 0.925 149 S CB 2.067 65.291 63.200 0.041 0.000 1.067 149 S HN 0.589 nan 8.310 nan 0.000 0.479 150 A N 2.484 125.338 122.820 0.057 0.000 2.574 150 A HA 0.711 5.024 4.320 -0.012 0.000 0.297 150 A C -0.792 176.892 177.584 0.167 0.000 1.062 150 A CA -0.564 51.541 52.037 0.114 0.000 0.686 150 A CB 1.359 20.370 19.000 0.019 0.000 1.285 150 A HN 1.246 nan 8.150 nan 0.000 0.403 151 V N 3.302 123.376 119.914 0.267 0.000 2.649 151 V HA 0.462 4.575 4.120 -0.012 0.000 0.292 151 V C 0.278 176.461 176.094 0.148 0.000 1.055 151 V CA 0.193 62.576 62.300 0.138 0.000 1.023 151 V CB 0.777 32.653 31.823 0.088 0.000 0.992 151 V HN 0.846 nan 8.190 nan 0.000 0.480 152 L N 5.462 126.713 121.223 0.047 0.000 2.588 152 L HA 0.494 4.827 4.340 -0.012 0.000 0.194 152 L C -0.071 176.940 176.870 0.235 0.000 1.070 152 L CA 0.289 55.197 54.840 0.114 0.000 0.852 152 L CB 0.384 42.474 42.059 0.052 0.000 1.199 152 L HN 0.760 nan 8.230 nan 0.000 0.486 153 F N -2.077 117.986 119.950 0.188 0.000 2.773 153 F HA 0.734 5.252 4.527 -0.015 0.000 0.314 153 F C -0.408 175.524 175.800 0.220 0.000 1.160 153 F CA -1.001 57.123 58.000 0.205 0.000 0.920 153 F CB 0.480 39.607 39.000 0.211 0.000 1.323 153 F HN -0.150 nan 8.300 nan 0.000 0.457 154 G N 0.322 109.380 108.800 0.431 0.000 2.667 154 G HA2 0.708 4.661 3.960 -0.012 0.000 0.310 154 G HA3 0.708 4.661 3.960 -0.012 0.000 0.310 154 G C -1.887 173.163 174.900 0.250 0.000 1.259 154 G CA -1.147 43.998 45.100 0.075 0.000 1.019 154 G HN 0.977 nan 8.290 nan 0.000 0.496 155 M N 0.164 119.700 119.600 -0.107 0.000 2.255 155 M HA 0.381 4.854 4.480 -0.012 0.000 0.275 155 M C -1.546 174.818 176.300 0.107 0.000 1.050 155 M CA -0.512 54.834 55.300 0.075 0.000 0.978 155 M CB 1.354 34.002 32.600 0.080 0.000 1.761 155 M HN 0.491 nan 8.290 nan 0.000 0.479 156 C N 5.196 124.678 119.300 0.303 0.000 2.452 156 C HA 0.713 5.166 4.460 -0.012 0.000 0.379 156 C C -0.221 174.790 174.990 0.035 0.000 1.275 156 C CA -0.476 58.703 59.018 0.268 0.000 2.056 156 C CB 0.008 27.980 27.740 0.387 0.000 2.506 156 C HN 0.768 nan 8.230 nan 0.000 0.560 157 L N 2.883 124.005 121.223 -0.170 0.000 2.422 157 L HA 0.900 5.233 4.340 -0.012 0.000 0.264 157 L C 0.320 176.950 176.870 -0.400 0.000 0.984 157 L CA 0.038 54.773 54.840 -0.176 0.000 0.819 157 L CB 2.127 44.143 42.059 -0.073 0.000 1.330 157 L HN 0.938 nan 8.230 nan 0.000 0.410 158 G N -0.298 108.371 108.800 -0.217 0.000 2.313 158 G HA2 0.166 4.119 3.960 -0.012 0.000 0.296 158 G HA3 0.166 4.119 3.960 -0.012 0.000 0.296 158 G C -1.696 173.310 174.900 0.177 0.000 1.356 158 G CA -0.861 44.168 45.100 -0.118 0.000 0.833 158 G HN 0.488 nan 8.290 nan 0.000 0.552 159 H N 0.818 120.040 119.070 0.253 0.000 2.767 159 H HA 0.276 4.825 4.556 -0.011 0.000 0.316 159 H C -2.058 173.428 175.328 0.263 0.000 1.059 159 H CA -0.516 55.659 56.048 0.212 0.000 1.461 159 H CB 1.248 31.087 29.762 0.129 0.000 1.475 159 H HN 0.089 nan 8.280 nan 0.000 0.531 160 P HA -0.017 nan 4.420 nan 0.000 0.271 160 P C 0.270 177.589 177.300 0.031 0.000 1.216 160 P CA 0.109 63.243 63.100 0.057 0.000 0.776 160 P CB 0.695 32.406 31.700 0.018 0.000 0.881 161 D N 1.068 121.431 120.400 -0.062 0.000 2.623 161 D HA 0.095 4.728 4.640 -0.012 0.000 0.252 161 D C -0.389 175.869 176.300 -0.072 0.000 1.294 161 D CA -0.002 53.977 54.000 -0.036 0.000 0.824 161 D CB 0.252 41.046 40.800 -0.010 0.000 1.070 161 D HN 0.430 nan 8.370 nan 0.000 0.487 162 Q N -1.208 118.536 119.800 -0.093 0.000 2.575 162 Q HA 0.434 4.766 4.340 -0.012 0.000 0.290 162 Q C -1.535 174.419 176.000 -0.077 0.000 0.963 162 Q CA -1.116 54.633 55.803 -0.090 0.000 0.783 162 Q CB 0.798 29.461 28.738 -0.125 0.000 1.467 162 Q HN -0.109 nan 8.270 nan 0.000 0.402 163 N N 1.043 119.706 118.700 -0.063 0.000 2.750 163 N HA 0.404 5.137 4.740 -0.012 0.000 0.253 163 N C -2.747 172.732 175.510 -0.051 0.000 1.408 163 N CA -1.093 51.926 53.050 -0.051 0.000 0.780 163 N CB 1.046 39.512 38.487 -0.035 0.000 1.191 163 N HN 0.497 nan 8.380 nan 0.000 0.511 164 P HA 0.290 nan 4.420 nan 0.000 0.272 164 P C -0.151 177.142 177.300 -0.011 0.000 1.223 164 P CA -0.091 62.987 63.100 -0.036 0.000 0.784 164 P CB 0.435 32.115 31.700 -0.033 0.000 0.923 165 E N 1.071 121.287 120.200 0.027 0.000 2.343 165 E HA 0.308 4.651 4.350 -0.012 0.000 0.269 165 E C -0.157 176.530 176.600 0.145 0.000 1.047 165 E CA -0.762 55.684 56.400 0.076 0.000 0.874 165 E CB 0.246 29.984 29.700 0.063 0.000 1.033 165 E HN 0.374 nan 8.360 nan 0.000 0.409 166 V N 3.329 123.279 119.914 0.061 0.000 2.599 166 V HA 0.071 4.183 4.120 -0.012 0.000 0.300 166 V C 0.775 176.811 176.094 -0.098 0.000 1.034 166 V CA 0.150 62.437 62.300 -0.022 0.000 1.115 166 V CB 0.631 32.439 31.823 -0.026 0.000 0.934 166 V HN 0.719 nan 8.190 nan 0.000 0.485 167 K N 6.839 127.074 120.400 -0.274 0.000 2.258 167 K HA 0.329 4.642 4.320 -0.012 0.000 0.284 167 K C -2.122 174.276 176.600 -0.338 0.000 1.051 167 K CA -1.384 54.545 56.287 -0.597 0.000 0.923 167 K CB 1.103 33.292 32.500 -0.519 0.000 1.046 167 K HN 0.519 nan 8.250 nan 0.000 0.474 168 P HA 0.198 nan 4.420 nan 0.000 0.275 168 P C -0.700 176.574 177.300 -0.044 0.000 1.228 168 P CA -0.365 62.661 63.100 -0.122 0.000 0.786 168 P CB 1.045 32.709 31.700 -0.059 0.000 0.927 169 R N 0.602 121.041 120.500 -0.101 0.000 2.893 169 R HA 0.551 4.884 4.340 -0.012 0.000 0.245 169 R C -0.004 175.940 176.300 -0.593 0.000 1.192 169 R CA -1.124 54.805 56.100 -0.285 0.000 1.077 169 R CB 0.111 30.266 30.300 -0.242 0.000 1.253 169 R HN 0.391 nan 8.270 nan 0.000 0.505 170 L N 3.551 124.184 121.223 -0.983 0.000 2.483 170 L HA 0.168 4.501 4.340 -0.012 0.000 0.276 170 L C -1.577 174.968 176.870 -0.542 0.000 1.213 170 L CA -1.212 53.006 54.840 -1.036 0.000 0.843 170 L CB 0.250 41.814 42.059 -0.826 0.000 1.107 170 L HN 0.423 nan 8.230 nan 0.000 0.487 171 P HA -0.009 nan 4.420 nan 0.000 0.269 171 P C 0.066 177.161 177.300 -0.341 0.000 1.215 171 P CA -0.234 62.667 63.100 -0.331 0.000 0.780 171 P CB 0.820 32.330 31.700 -0.316 0.000 0.898 172 A N 2.404 125.108 122.820 -0.193 0.000 1.948 172 A HA -0.239 4.074 4.320 -0.012 0.000 0.220 172 A C 2.049 179.537 177.584 -0.161 0.000 1.177 172 A CA 1.850 53.800 52.037 -0.146 0.000 0.636 172 A CB -1.730 17.229 19.000 -0.068 0.000 0.815 172 A HN 0.833 nan 8.150 nan 0.000 0.449 173 H N -1.493 117.489 119.070 -0.147 0.000 2.521 173 H HA 0.056 4.605 4.556 -0.012 0.000 0.286 173 H C 1.615 176.800 175.328 -0.238 0.000 1.034 173 H CA 1.432 57.378 56.048 -0.170 0.000 1.278 173 H CB -0.513 29.173 29.762 -0.127 0.000 1.386 173 H HN 0.277 nan 8.280 nan 0.000 0.567 174 V N 0.857 120.432 119.914 -0.565 0.000 2.426 174 V HA -0.125 3.988 4.120 -0.012 0.000 0.242 174 V C 2.825 178.684 176.094 -0.391 0.000 1.036 174 V CA 0.929 62.956 62.300 -0.455 0.000 1.044 174 V CB -0.035 31.524 31.823 -0.440 0.000 0.688 174 V HN 0.239 nan 8.190 nan 0.000 0.462 175 V N -0.116 119.613 119.914 -0.309 0.000 2.488 175 V HA -0.012 4.101 4.120 -0.012 0.000 0.246 175 V C 0.917 176.923 176.094 -0.147 0.000 1.046 175 V CA 0.760 62.951 62.300 -0.181 0.000 1.053 175 V CB -0.008 31.725 31.823 -0.150 0.000 0.679 175 V HN 0.328 nan 8.190 nan 0.000 0.458 176 V N 1.454 121.242 119.914 -0.210 0.000 2.407 176 V HA 0.349 4.462 4.120 -0.012 0.000 0.278 176 V C -0.284 175.649 176.094 -0.268 0.000 1.037 176 V CA -0.614 61.610 62.300 -0.127 0.000 0.900 176 V CB 0.731 32.509 31.823 -0.075 0.000 0.983 176 V HN 0.441 nan 8.190 nan 0.000 0.459 177 H N 3.364 122.383 119.070 -0.084 0.000 2.469 177 H HA 0.450 5.000 4.556 -0.009 0.000 0.342 177 H C -0.734 174.568 175.328 -0.042 0.000 1.115 177 H CA -0.759 55.234 56.048 -0.093 0.000 1.204 177 H CB 2.314 31.995 29.762 -0.135 0.000 1.492 177 H HN 0.591 nan 8.280 nan 0.000 0.499 178 E N 2.806 123.043 120.200 0.062 0.000 2.115 178 E HA 0.067 4.410 4.350 -0.012 0.000 0.282 178 E C 0.468 177.100 176.600 0.053 0.000 0.987 178 E CA -0.395 56.030 56.400 0.041 0.000 0.797 178 E CB 1.103 30.812 29.700 0.014 0.000 1.086 178 E HN 0.635 nan 8.360 nan 0.000 0.397 179 N N 0.332 119.062 118.700 0.049 0.000 2.804 179 N HA -0.276 4.457 4.740 -0.012 0.000 0.220 179 N C 0.371 175.912 175.510 0.052 0.000 0.878 179 N CA 2.242 55.318 53.050 0.043 0.000 1.387 179 N CB -0.662 37.844 38.487 0.031 0.000 0.940 179 N HN 0.720 nan 8.380 nan 0.000 0.592 180 Q N -0.757 119.086 119.800 0.071 0.000 2.418 180 Q HA 0.587 4.920 4.340 -0.012 0.000 0.282 180 Q C -1.232 174.841 176.000 0.122 0.000 1.044 180 Q CA -0.549 55.305 55.803 0.085 0.000 0.813 180 Q CB 1.052 29.834 28.738 0.073 0.000 1.428 180 Q HN 0.310 nan 8.270 nan 0.000 0.402 181 Y N 1.426 121.700 120.300 -0.043 0.000 2.544 181 Y HA 0.447 4.988 4.550 -0.014 0.000 0.330 181 Y C 0.635 176.581 175.900 0.076 0.000 1.136 181 Y CA 1.428 59.450 58.100 -0.129 0.000 1.417 181 Y CB 0.544 38.875 38.460 -0.215 0.000 1.229 181 Y HN 0.987 nan 8.280 nan 0.000 0.532 182 Q N 3.581 123.413 119.800 0.053 0.000 2.245 182 Q HA 0.637 4.970 4.340 -0.012 0.000 0.256 182 Q C -0.055 175.948 176.000 0.006 0.000 0.942 182 Q CA -0.410 55.434 55.803 0.069 0.000 0.896 182 Q CB 0.586 29.344 28.738 0.032 0.000 1.272 182 Q HN 0.959 nan 8.270 nan 0.000 0.442 183 E N 0.861 121.120 120.200 0.099 0.000 2.404 183 E HA 0.495 4.837 4.350 -0.012 0.000 0.261 183 E C -0.164 176.477 176.600 0.068 0.000 1.074 183 E CA -0.352 56.125 56.400 0.129 0.000 0.917 183 E CB 0.687 30.457 29.700 0.117 0.000 0.965 183 E HN 1.048 nan 8.360 nan 0.000 0.433 184 L N 2.119 123.397 121.223 0.093 0.000 2.367 184 L HA 0.252 4.585 4.340 -0.012 0.000 0.275 184 L C 0.005 176.910 176.870 0.058 0.000 1.129 184 L CA -0.190 54.688 54.840 0.064 0.000 0.839 184 L CB 1.277 43.392 42.059 0.093 0.000 1.133 184 L HN 0.660 nan 8.230 nan 0.000 0.453 185 N N 4.496 123.224 118.700 0.047 0.000 2.439 185 N HA 0.162 4.894 4.740 -0.012 0.000 0.249 185 N C 0.698 176.245 175.510 0.062 0.000 1.003 185 N CA -0.132 52.949 53.050 0.052 0.000 0.942 185 N CB 0.705 39.223 38.487 0.052 0.000 1.115 185 N HN 0.782 nan 8.380 nan 0.000 0.505 186 L N 1.837 123.098 121.223 0.064 0.000 2.353 186 L HA -0.124 4.208 4.340 -0.012 0.000 0.220 186 L C 0.960 177.877 176.870 0.079 0.000 1.133 186 L CA 0.701 55.586 54.840 0.075 0.000 0.798 186 L CB -0.061 42.038 42.059 0.067 0.000 0.922 186 L HN 0.481 nan 8.230 nan 0.000 0.445 187 D N 0.001 120.442 120.400 0.069 0.000 2.178 187 D HA -0.168 4.465 4.640 -0.012 0.000 0.202 187 D C 1.743 178.093 176.300 0.085 0.000 0.974 187 D CA 1.022 55.063 54.000 0.069 0.000 0.841 187 D CB -0.064 40.770 40.800 0.056 0.000 0.953 187 D HN 0.290 nan 8.370 nan 0.000 0.478 188 D N 0.105 120.558 120.400 0.088 0.000 2.178 188 D HA -0.084 4.548 4.640 -0.012 0.000 0.202 188 D C 2.082 178.444 176.300 0.102 0.000 0.974 188 D CA 0.299 54.351 54.000 0.087 0.000 0.841 188 D CB 0.130 40.963 40.800 0.055 0.000 0.953 188 D HN 0.200 nan 8.370 nan 0.000 0.478 189 I N 0.845 121.493 120.570 0.131 0.000 2.353 189 I HA -0.166 3.997 4.170 -0.012 0.000 0.248 189 I C 2.407 178.662 176.117 0.230 0.000 1.119 189 I CA 0.874 62.309 61.300 0.225 0.000 1.417 189 I CB -0.935 37.207 38.000 0.235 0.000 1.078 189 I HN 0.079 nan 8.210 nan 0.000 0.421 190 Q N 0.571 120.464 119.800 0.154 0.000 2.119 190 Q HA -0.147 4.186 4.340 -0.012 0.000 0.201 190 Q C 2.335 178.399 176.000 0.107 0.000 0.972 190 Q CA 1.757 57.633 55.803 0.121 0.000 0.847 190 Q CB 0.213 29.004 28.738 0.087 0.000 0.903 190 Q HN 0.344 nan 8.270 nan 0.000 0.433 191 S N -0.233 115.532 115.700 0.109 0.000 2.382 191 S HA -0.156 4.307 4.470 -0.012 0.000 0.228 191 S C 1.454 176.119 174.600 0.108 0.000 1.027 191 S CA 1.045 59.301 58.200 0.093 0.000 0.991 191 S CB -0.377 62.878 63.200 0.093 0.000 0.823 191 S HN 0.508 nan 8.310 nan 0.000 0.469 192 Y N 2.494 122.792 120.300 -0.003 0.000 2.220 192 Y HA -0.090 4.454 4.550 -0.010 0.000 0.291 192 Y C 1.811 177.710 175.900 -0.001 0.000 1.129 192 Y CA 1.161 59.225 58.100 -0.059 0.000 1.161 192 Y CB -0.521 37.843 38.460 -0.160 0.000 0.997 192 Y HN 0.132 nan 8.280 nan 0.000 0.522 193 D N -0.058 120.326 120.400 -0.027 0.000 2.149 193 D HA -0.204 4.429 4.640 -0.012 0.000 0.198 193 D C 2.397 178.671 176.300 -0.043 0.000 0.990 193 D CA 1.861 55.854 54.000 -0.012 0.000 0.839 193 D CB -0.481 40.393 40.800 0.124 0.000 0.948 193 D HN 0.617 nan 8.370 nan 0.000 0.460 194 Q N 0.177 119.969 119.800 -0.015 0.000 2.119 194 Q HA -0.090 4.243 4.340 -0.012 0.000 0.201 194 Q C 2.292 178.276 176.000 -0.026 0.000 0.972 194 Q CA 1.797 57.599 55.803 -0.001 0.000 0.847 194 Q CB -1.343 27.407 28.738 0.020 0.000 0.903 194 Q HN 0.307 nan 8.270 nan 0.000 0.433 195 T N 0.831 115.340 114.554 -0.075 0.000 2.821 195 T HA -0.054 4.288 4.350 -0.012 0.000 0.267 195 T C 1.918 176.548 174.700 -0.117 0.000 1.046 195 T CA 1.340 63.392 62.100 -0.081 0.000 1.139 195 T CB -0.121 68.709 68.868 -0.065 0.000 0.871 195 T HN 0.426 nan 8.240 nan 0.000 0.454 196 M N 1.164 120.620 119.600 -0.239 0.000 2.349 196 M HA 0.032 4.504 4.480 -0.012 0.000 0.266 196 M C 2.913 179.287 176.300 0.123 0.000 1.076 196 M CA 0.969 56.187 55.300 -0.137 0.000 1.126 196 M CB -1.424 31.020 32.600 -0.260 0.000 1.392 196 M HN 0.452 nan 8.290 nan 0.000 0.440 197 Q N 0.027 119.879 119.800 0.086 0.000 2.123 197 Q HA 0.127 4.459 4.340 -0.012 0.000 0.199 197 Q C 2.232 178.298 176.000 0.110 0.000 0.966 197 Q CA 1.677 57.559 55.803 0.132 0.000 0.845 197 Q CB -1.062 27.721 28.738 0.074 0.000 0.907 197 Q HN 0.621 nan 8.270 nan 0.000 0.439 198 A N -0.931 121.926 122.820 0.061 0.000 1.968 198 A HA 0.012 4.325 4.320 -0.012 0.000 0.217 198 A C 2.116 179.708 177.584 0.013 0.000 1.169 198 A CA 1.474 53.530 52.037 0.032 0.000 0.638 198 A CB -0.559 18.453 19.000 0.019 0.000 0.812 198 A HN 0.775 nan 8.150 nan 0.000 0.446 199 Y N -0.931 119.305 120.300 -0.105 0.000 2.200 199 Y HA -0.020 4.524 4.550 -0.011 0.000 0.290 199 Y C 0.744 176.498 175.900 -0.243 0.000 1.137 199 Y CA 0.710 58.681 58.100 -0.215 0.000 1.163 199 Y CB -0.279 37.977 38.460 -0.341 0.000 0.988 199 Y HN 0.306 nan 8.280 nan 0.000 0.518 211 T N 1.070 115.634 114.554 0.016 0.000 2.816 211 T HA 0.345 4.688 4.350 -0.012 0.000 0.282 211 T C 1.104 175.849 174.700 0.075 0.000 0.993 211 T CA -0.125 62.013 62.100 0.063 0.000 0.994 211 T CB 0.502 69.417 68.868 0.079 0.000 1.025 211 T HN 0.838 nan 8.240 nan 0.000 0.529 212 W N 1.466 122.766 121.300 -0.000 0.000 2.317 212 W HA -0.205 4.447 4.660 -0.014 0.000 0.318 212 W C 2.657 179.208 176.519 0.055 0.000 1.227 212 W CA 2.895 60.257 57.345 0.029 0.000 1.269 212 W CB -0.842 28.622 29.460 0.006 0.000 1.155 212 W HN 0.867 nan 8.180 nan 0.000 0.484 213 S N 0.119 115.781 115.700 -0.062 0.000 2.383 213 S HA -0.277 4.186 4.470 -0.012 0.000 0.229 213 S C 2.013 176.445 174.600 -0.280 0.000 1.030 213 S CA 2.292 60.300 58.200 -0.321 0.000 1.002 213 S CB -1.361 61.876 63.200 0.062 0.000 0.829 213 S HN 0.558 nan 8.310 nan 0.000 0.467 214 Q N 0.699 120.414 119.800 -0.141 0.000 2.123 214 Q HA 0.106 4.439 4.340 -0.012 0.000 0.199 214 Q C 2.250 178.165 176.000 -0.143 0.000 0.966 214 Q CA 1.981 57.718 55.803 -0.110 0.000 0.845 214 Q CB -1.874 26.834 28.738 -0.051 0.000 0.907 214 Q HN 1.028 nan 8.270 nan 0.000 0.439 215 E N 0.404 120.500 120.200 -0.172 0.000 2.047 215 E HA -0.017 4.326 4.350 -0.012 0.000 0.191 215 E C 2.444 178.920 176.600 -0.207 0.000 0.987 215 E CA 2.163 58.468 56.400 -0.158 0.000 0.799 215 E CB -1.115 28.511 29.700 -0.124 0.000 0.752 215 E HN 1.114 nan 8.360 nan 0.000 0.449 216 V N -0.224 119.467 119.914 -0.372 0.000 2.379 216 V HA -0.166 3.947 4.120 -0.012 0.000 0.245 216 V C 2.779 178.723 176.094 -0.250 0.000 1.044 216 V CA 2.503 64.590 62.300 -0.355 0.000 1.036 216 V CB -1.015 30.459 31.823 -0.581 0.000 0.664 216 V HN 0.619 nan 8.190 nan 0.000 0.453 217 T N -1.705 112.692 114.554 -0.262 0.000 2.951 217 T HA 0.088 4.431 4.350 -0.012 0.000 0.268 217 T C 2.004 176.641 174.700 -0.104 0.000 1.073 217 T CA 1.268 63.273 62.100 -0.158 0.000 1.134 217 T CB -0.747 68.039 68.868 -0.137 0.000 0.884 217 T HN 0.665 nan 8.240 nan 0.000 0.479 218 G N 1.545 110.281 108.800 -0.107 0.000 2.408 218 G HA2 -0.023 3.930 3.960 -0.012 0.000 0.217 218 G HA3 -0.023 3.930 3.960 -0.012 0.000 0.217 218 G C 1.940 176.807 174.900 -0.056 0.000 1.150 218 G CA 1.173 46.230 45.100 -0.071 0.000 0.776 218 G HN 0.777 nan 8.290 nan 0.000 0.542 219 K N 0.727 121.088 120.400 -0.065 0.000 2.097 219 K HA 0.280 4.592 4.320 -0.012 0.000 0.205 219 K C 2.307 178.886 176.600 -0.035 0.000 1.050 219 K CA 1.152 57.414 56.287 -0.043 0.000 0.938 219 K CB -0.707 31.767 32.500 -0.043 0.000 0.718 219 K HN 0.366 nan 8.250 nan 0.000 0.442 220 L N -0.065 121.130 121.223 -0.048 0.000 2.478 220 L HA 0.101 4.433 4.340 -0.012 0.000 0.223 220 L C 2.832 179.685 176.870 -0.028 0.000 1.140 220 L CA 0.629 55.447 54.840 -0.036 0.000 0.842 220 L CB -0.093 41.940 42.059 -0.044 0.000 0.953 220 L HN 0.422 nan 8.230 nan 0.000 0.452 221 A N 0.049 122.850 122.820 -0.031 0.000 2.119 221 A HA 0.208 4.521 4.320 -0.012 0.000 0.216 221 A C 1.456 179.031 177.584 -0.015 0.000 1.152 221 A CA 0.843 52.866 52.037 -0.023 0.000 0.708 221 A CB -0.453 18.531 19.000 -0.027 0.000 0.805 221 A HN 0.358 nan 8.150 nan 0.000 0.460 222 G N -0.648 108.143 108.800 -0.013 0.000 2.531 222 G HA2 0.486 4.439 3.960 -0.012 0.000 0.281 222 G HA3 0.486 4.439 3.960 -0.012 0.000 0.281 222 G C -0.593 174.307 174.900 -0.001 0.000 1.382 222 G CA -0.628 44.469 45.100 -0.005 0.000 1.045 222 G HN 0.399 nan 8.290 nan 0.000 0.533 223 E N -0.116 120.088 120.200 0.007 0.000 2.227 223 E HA 0.379 4.722 4.350 -0.012 0.000 0.282 223 E C -0.783 175.824 176.600 0.012 0.000 1.015 223 E CA -0.152 56.254 56.400 0.010 0.000 0.823 223 E CB 1.485 31.196 29.700 0.018 0.000 1.081 223 E HN 0.148 nan 8.360 nan 0.000 0.396 224 S N 3.242 118.943 115.700 0.002 0.000 2.434 224 S HA 0.165 4.628 4.470 -0.012 0.000 0.318 224 S C -0.257 174.328 174.600 -0.025 0.000 1.062 224 S CA -0.674 57.525 58.200 -0.002 0.000 1.116 224 S CB 0.312 63.508 63.200 -0.007 0.000 0.977 224 S HN 0.478 nan 8.310 nan 0.000 0.480 225 R N 1.958 122.449 120.500 -0.015 0.000 2.879 225 R HA -0.138 4.195 4.340 -0.012 0.000 0.241 225 R C -1.910 174.254 176.300 -0.227 0.000 0.845 225 R CA 0.194 56.222 56.100 -0.120 0.000 0.599 225 R CB -1.223 28.950 30.300 -0.212 0.000 1.213 225 R HN 0.518 nan 8.270 nan 0.000 0.510 226 P HA -0.197 nan 4.420 nan 0.000 0.226 226 P C 0.882 178.180 177.300 -0.004 0.000 1.146 226 P CA 1.418 64.509 63.100 -0.015 0.000 0.773 226 P CB -0.134 31.591 31.700 0.041 0.000 0.772 227 H N -1.668 117.423 119.070 0.034 0.000 2.551 227 H HA 0.105 4.655 4.556 -0.010 0.000 0.266 227 H C 1.691 177.072 175.328 0.088 0.000 0.977 227 H CA -0.148 55.928 56.048 0.046 0.000 1.163 227 H CB -0.450 29.327 29.762 0.026 0.000 1.381 227 H HN 0.032 nan 8.280 nan 0.000 0.581 228 I N 1.138 121.551 120.570 -0.261 0.000 2.179 228 I HA -0.230 3.933 4.170 -0.012 0.000 0.242 228 I C 2.522 178.685 176.117 0.075 0.000 1.088 228 I CA 0.648 61.911 61.300 -0.062 0.000 1.357 228 I CB -0.830 37.093 38.000 -0.129 0.000 1.051 228 I HN 0.271 nan 8.210 nan 0.000 0.409 229 L N 1.788 123.026 121.223 0.024 0.000 2.046 229 L HA -0.065 4.268 4.340 -0.012 0.000 0.208 229 L C -0.575 176.309 176.870 0.024 0.000 1.077 229 L CA 2.189 57.040 54.840 0.018 0.000 0.747 229 L CB -1.891 40.169 42.059 0.001 0.000 0.896 229 L HN 0.055 nan 8.230 nan 0.000 0.432 230 P HA -0.201 nan 4.420 nan 0.000 0.218 230 P C 1.118 178.462 177.300 0.073 0.000 1.149 230 P CA 1.280 64.413 63.100 0.054 0.000 0.817 230 P CB -0.218 31.529 31.700 0.079 0.000 0.785 231 Y N 0.541 120.859 120.300 0.030 0.000 2.133 231 Y HA -0.163 4.380 4.550 -0.012 0.000 0.287 231 Y C 1.949 177.860 175.900 0.018 0.000 1.134 231 Y CA 1.450 59.572 58.100 0.036 0.000 1.133 231 Y CB -1.226 37.275 38.460 0.068 0.000 0.987 231 Y HN -0.222 nan 8.280 nan 0.000 0.502 232 L N 0.512 121.540 121.223 -0.326 0.000 2.042 232 L HA -0.289 4.044 4.340 -0.012 0.000 0.210 232 L C 2.126 178.847 176.870 -0.249 0.000 1.076 232 L CA 2.078 56.705 54.840 -0.356 0.000 0.749 232 L CB -0.801 41.183 42.059 -0.125 0.000 0.893 232 L HN 0.360 nan 8.230 nan 0.000 0.432 233 N N -0.497 118.115 118.700 -0.148 0.000 2.166 233 N HA -0.183 4.550 4.740 -0.012 0.000 0.186 233 N C 1.960 177.401 175.510 -0.114 0.000 1.019 233 N CA 1.322 54.306 53.050 -0.110 0.000 0.856 233 N CB -0.074 38.373 38.487 -0.067 0.000 0.993 233 N HN 0.354 nan 8.380 nan 0.000 0.426 234 S N 0.403 116.031 115.700 -0.121 0.000 2.447 234 S HA 0.026 4.489 4.470 -0.012 0.000 0.233 234 S C 1.421 175.950 174.600 -0.119 0.000 1.006 234 S CA 0.760 58.906 58.200 -0.090 0.000 0.957 234 S CB 0.143 63.321 63.200 -0.036 0.000 0.773 234 S HN 0.087 nan 8.310 nan 0.000 0.507 235 K N 0.722 121.001 120.400 -0.202 0.000 2.374 235 K HA 0.327 4.640 4.320 -0.012 0.000 0.196 235 K C 1.282 177.811 176.600 -0.119 0.000 1.023 235 K CA 0.516 56.699 56.287 -0.173 0.000 1.103 235 K CB -0.130 32.208 32.500 -0.270 0.000 0.848 235 K HN 0.569 nan 8.250 nan 0.000 0.528 236 G N 1.355 110.084 108.800 -0.118 0.000 2.141 236 G HA2 -0.239 3.714 3.960 -0.012 0.000 0.242 236 G HA3 -0.239 3.714 3.960 -0.012 0.000 0.242 236 G C -0.107 174.721 174.900 -0.121 0.000 0.982 236 G CA -0.018 45.020 45.100 -0.104 0.000 0.662 236 G HN 0.211 nan 8.290 nan 0.000 0.527 237 L N -0.877 120.269 121.223 -0.129 0.000 2.330 237 L HA 0.706 5.039 4.340 -0.012 0.000 0.271 237 L C 1.433 178.236 176.870 -0.112 0.000 1.013 237 L CA -0.488 54.280 54.840 -0.120 0.000 0.816 237 L CB 1.823 43.829 42.059 -0.088 0.000 1.287 237 L HN 1.200 nan 8.230 nan 0.000 0.435 238 A N 1.412 124.173 122.820 -0.099 0.000 2.745 238 A HA -0.223 4.090 4.320 -0.012 0.000 0.296 238 A C 1.164 178.694 177.584 -0.090 0.000 1.500 238 A CA 1.412 53.405 52.037 -0.074 0.000 0.766 238 A CB -1.673 17.302 19.000 -0.041 0.000 1.030 238 A HN 0.891 nan 8.150 nan 0.000 0.489 239 K N -0.848 119.471 120.400 -0.135 0.000 2.314 239 K HA 0.058 4.371 4.320 -0.012 0.000 0.198 239 K C 1.027 177.540 176.600 -0.145 0.000 1.045 239 K CA 1.248 57.453 56.287 -0.138 0.000 0.988 239 K CB 0.192 32.596 32.500 -0.161 0.000 0.783 239 K HN 0.941 nan 8.250 nan 0.000 0.484 240 R N 0.000 120.393 120.500 -0.179 0.000 2.786 240 R HA 0.000 4.333 4.340 -0.012 0.000 0.208 240 R CA 0.000 56.013 56.100 -0.144 0.000 0.921 240 R CB 0.000 30.152 30.300 -0.247 0.000 0.687 240 R HN 0.000 nan 8.270 nan 0.000 0.535