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 2bkj_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 0.000 175.515 175.510 0.008 0.000 1.280 2 N CA 0.000 53.054 53.050 0.006 0.000 0.885 2 N CB 0.000 38.490 38.487 0.005 0.000 1.341 3 N N -0.645 118.060 118.700 0.009 0.000 2.166 3 N HA -0.130 4.602 4.740 -0.013 0.000 0.186 3 N C 1.351 176.869 175.510 0.013 0.000 1.019 3 N CA 2.327 55.383 53.050 0.012 0.000 0.856 3 N CB -1.187 37.307 38.487 0.012 0.000 0.993 3 N HN 0.658 nan 8.380 nan 0.000 0.426 4 T N 0.472 115.033 114.554 0.011 0.000 2.708 4 T HA 0.015 4.357 4.350 -0.013 0.000 0.266 4 T C 2.000 176.706 174.700 0.011 0.000 1.037 4 T CA 1.212 63.319 62.100 0.011 0.000 1.146 4 T CB -0.260 68.613 68.868 0.009 0.000 0.865 4 T HN 0.531 nan 8.240 nan 0.000 0.435 5 I N 1.468 122.043 120.570 0.009 0.000 2.315 5 I HA -0.123 4.039 4.170 -0.013 0.000 0.248 5 I C 3.216 179.340 176.117 0.012 0.000 1.117 5 I CA 1.554 62.858 61.300 0.008 0.000 1.404 5 I CB -0.693 37.310 38.000 0.005 0.000 1.071 5 I HN 0.364 nan 8.210 nan 0.000 0.419 6 E N 0.819 121.027 120.200 0.013 0.000 2.077 6 E HA -0.212 4.130 4.350 -0.013 0.000 0.193 6 E C 2.153 178.767 176.600 0.024 0.000 0.989 6 E CA 2.050 58.460 56.400 0.016 0.000 0.800 6 E CB -1.344 28.365 29.700 0.014 0.000 0.746 6 E HN 0.495 nan 8.360 nan 0.000 0.452 7 T N 0.524 115.093 114.554 0.026 0.000 2.777 7 T HA -0.023 4.319 4.350 -0.013 0.000 0.266 7 T C 2.124 176.854 174.700 0.050 0.000 1.040 7 T CA 1.246 63.367 62.100 0.036 0.000 1.141 7 T CB -0.299 68.588 68.868 0.031 0.000 0.868 7 T HN 0.438 nan 8.240 nan 0.000 0.444 8 I N 0.847 121.439 120.570 0.036 0.000 2.179 8 I HA -0.138 4.024 4.170 -0.013 0.000 0.242 8 I C 2.169 178.321 176.117 0.058 0.000 1.088 8 I CA 1.350 62.672 61.300 0.036 0.000 1.357 8 I CB -0.400 37.607 38.000 0.012 0.000 1.051 8 I HN 0.198 nan 8.210 nan 0.000 0.409 9 L N 0.389 121.637 121.223 0.041 0.000 2.291 9 L HA -0.059 4.273 4.340 -0.013 0.000 0.214 9 L C 2.401 179.298 176.870 0.046 0.000 1.120 9 L CA 0.619 55.481 54.840 0.038 0.000 0.799 9 L CB -0.510 41.560 42.059 0.018 0.000 0.925 9 L HN 0.207 nan 8.230 nan 0.000 0.446 10 A N -1.432 121.420 122.820 0.053 0.000 2.251 10 A HA -0.068 4.244 4.320 -0.013 0.000 0.209 10 A C 0.708 178.322 177.584 0.049 0.000 1.187 10 A CA -0.141 51.919 52.037 0.040 0.000 0.823 10 A CB -0.847 18.172 19.000 0.032 0.000 0.846 10 A HN 0.440 nan 8.150 nan 0.000 0.486 11 H N 2.159 121.234 119.070 0.007 0.000 2.897 11 H HA 0.387 4.936 4.556 -0.012 0.000 0.347 11 H C 0.332 175.666 175.328 0.010 0.000 1.068 11 H CA 0.636 56.692 56.048 0.014 0.000 1.426 11 H CB 0.347 30.121 29.762 0.020 0.000 1.410 11 H HN 0.451 nan 8.280 nan 0.000 0.597 12 R N 2.767 122.713 120.500 -0.923 0.000 2.579 12 R HA 0.260 4.592 4.340 -0.013 0.000 0.260 12 R C -1.495 174.477 176.300 -0.546 0.000 1.103 12 R CA -0.787 54.889 56.100 -0.707 0.000 0.942 12 R CB 0.412 30.552 30.300 -0.267 0.000 1.251 12 R HN 0.559 nan 8.270 nan 0.000 0.450 13 S N 3.236 118.740 115.700 -0.327 0.000 2.533 13 S HA 0.255 4.717 4.470 -0.013 0.000 0.282 13 S C 0.452 174.990 174.600 -0.103 0.000 1.304 13 S CA -0.305 57.862 58.200 -0.055 0.000 1.063 13 S CB 0.172 63.399 63.200 0.044 0.000 0.881 13 S HN 0.334 nan 8.310 nan 0.000 0.493 14 I N 3.904 124.426 120.570 -0.080 0.000 2.336 14 I HA 0.340 4.502 4.170 -0.013 0.000 0.292 14 I C 0.959 176.810 176.117 -0.443 0.000 0.991 14 I CA -0.106 61.049 61.300 -0.241 0.000 1.227 14 I CB 1.278 39.163 38.000 -0.191 0.000 1.366 14 I HN 0.693 nan 8.210 nan 0.000 0.466 15 R N 4.067 124.206 120.500 -0.601 0.000 2.596 15 R HA 0.282 4.615 4.340 -0.013 0.000 0.369 15 R C -0.000 175.919 176.300 -0.635 0.000 1.042 15 R CA -0.228 55.383 56.100 -0.814 0.000 1.120 15 R CB 0.943 30.642 30.300 -1.002 0.000 1.353 15 R HN 0.371 nan 8.270 nan 0.000 0.564 16 K N 1.010 120.925 120.400 -0.809 0.000 2.565 16 K HA 0.347 4.659 4.320 -0.013 0.000 0.249 16 K C -1.609 174.600 176.600 -0.652 0.000 0.958 16 K CA -0.393 55.611 56.287 -0.472 0.000 0.806 16 K CB 1.435 33.794 32.500 -0.235 0.000 1.194 16 K HN -0.153 nan 8.250 nan 0.000 0.434 17 F N 0.160 120.152 119.950 0.069 0.000 2.593 17 F HA 0.363 4.881 4.527 -0.014 0.000 0.320 17 F C 1.141 176.989 175.800 0.079 0.000 1.060 17 F CA -0.754 57.295 58.000 0.081 0.000 0.940 17 F CB 1.667 40.725 39.000 0.096 0.000 1.268 17 F HN 0.400 nan 8.300 nan 0.000 0.475 18 T N -1.641 113.088 114.554 0.293 0.000 2.824 18 T HA 0.553 4.895 4.350 -0.013 0.000 0.277 18 T C 0.871 175.672 174.700 0.169 0.000 0.975 18 T CA -0.190 62.015 62.100 0.175 0.000 0.966 18 T CB 1.398 70.340 68.868 0.122 0.000 1.054 18 T HN 0.727 nan 8.240 nan 0.000 0.533 19 A N 0.298 123.179 122.820 0.101 0.000 2.238 19 A HA 0.385 4.698 4.320 -0.013 0.000 0.208 19 A C 0.967 178.591 177.584 0.066 0.000 1.177 19 A CA -0.234 51.850 52.037 0.079 0.000 0.804 19 A CB -0.635 18.395 19.000 0.051 0.000 0.823 19 A HN 0.705 nan 8.150 nan 0.000 0.482 20 V N 3.493 123.441 119.914 0.056 0.000 2.450 20 V HA 0.115 4.227 4.120 -0.013 0.000 0.281 20 V C -1.683 174.494 176.094 0.140 0.000 1.019 20 V CA -1.155 61.153 62.300 0.013 0.000 1.062 20 V CB 0.167 31.861 31.823 -0.214 0.000 0.979 20 V HN 0.400 nan 8.190 nan 0.000 0.477 21 P HA 0.310 nan 4.420 nan 0.000 0.274 21 P C -0.460 176.934 177.300 0.157 0.000 1.246 21 P CA -0.434 62.731 63.100 0.107 0.000 0.795 21 P CB 1.243 32.976 31.700 0.056 0.000 1.006 22 I N 1.252 121.878 120.570 0.094 0.000 2.325 22 I HA 0.106 4.269 4.170 -0.013 0.000 0.291 22 I C 1.506 177.654 176.117 0.051 0.000 1.019 22 I CA -0.369 60.972 61.300 0.068 0.000 1.302 22 I CB 1.068 39.063 38.000 -0.008 0.000 1.401 22 I HN 0.405 nan 8.210 nan 0.000 0.485 23 T N 0.952 115.542 114.554 0.061 0.000 2.855 23 T HA 0.017 4.359 4.350 -0.013 0.000 0.314 23 T C 0.883 175.596 174.700 0.021 0.000 1.077 23 T CA -0.562 61.562 62.100 0.039 0.000 1.095 23 T CB 0.914 69.807 68.868 0.042 0.000 0.987 23 T HN 0.487 nan 8.240 nan 0.000 0.546 24 D N 1.441 121.850 120.400 0.015 0.000 2.144 24 D HA -0.046 4.586 4.640 -0.013 0.000 0.199 24 D C 2.528 178.831 176.300 0.005 0.000 0.984 24 D CA 1.814 55.818 54.000 0.007 0.000 0.834 24 D CB -0.668 40.134 40.800 0.005 0.000 0.955 24 D HN 0.931 nan 8.370 nan 0.000 0.465 25 E N 1.210 121.416 120.200 0.010 0.000 2.077 25 E HA -0.219 4.123 4.350 -0.013 0.000 0.193 25 E C 1.971 178.576 176.600 0.008 0.000 0.989 25 E CA 1.268 57.674 56.400 0.009 0.000 0.800 25 E CB -0.899 28.808 29.700 0.013 0.000 0.746 25 E HN 0.432 nan 8.360 nan 0.000 0.452 26 Q N -0.984 118.823 119.800 0.011 0.000 2.079 26 Q HA -0.082 4.250 4.340 -0.013 0.000 0.200 26 Q C 2.549 178.547 176.000 -0.002 0.000 0.974 26 Q CA 1.384 57.191 55.803 0.007 0.000 0.840 26 Q CB -0.076 28.667 28.738 0.009 0.000 0.898 26 Q HN 0.478 nan 8.270 nan 0.000 0.430 27 R N 0.484 120.981 120.500 -0.005 0.000 2.081 27 R HA -0.214 4.118 4.340 -0.013 0.000 0.235 27 R C 2.570 178.863 176.300 -0.012 0.000 1.131 27 R CA 1.837 57.929 56.100 -0.013 0.000 0.960 27 R CB -0.218 30.073 30.300 -0.015 0.000 0.856 27 R HN 0.308 nan 8.270 nan 0.000 0.436 28 Q N -0.350 119.445 119.800 -0.008 0.000 2.124 28 Q HA -0.125 4.207 4.340 -0.013 0.000 0.202 28 Q C 2.026 178.024 176.000 -0.003 0.000 0.977 28 Q CA 2.057 57.855 55.803 -0.007 0.000 0.850 28 Q CB -1.214 27.522 28.738 -0.005 0.000 0.901 28 Q HN 0.512 nan 8.270 nan 0.000 0.429 29 T N 0.741 115.296 114.554 0.001 0.000 2.821 29 T HA 0.004 4.346 4.350 -0.013 0.000 0.267 29 T C 1.987 176.691 174.700 0.007 0.000 1.046 29 T CA 1.183 63.285 62.100 0.004 0.000 1.139 29 T CB -0.267 68.605 68.868 0.006 0.000 0.871 29 T HN 0.552 nan 8.240 nan 0.000 0.454 30 I N 0.844 121.417 120.570 0.004 0.000 2.226 30 I HA -0.143 4.019 4.170 -0.013 0.000 0.245 30 I C 2.136 178.264 176.117 0.019 0.000 1.100 30 I CA 0.918 62.224 61.300 0.010 0.000 1.374 30 I CB -0.322 37.679 38.000 0.003 0.000 1.057 30 I HN 0.195 nan 8.210 nan 0.000 0.413 31 I N 0.924 121.498 120.570 0.006 0.000 2.252 31 I HA -0.280 3.882 4.170 -0.013 0.000 0.245 31 I C 3.179 179.303 176.117 0.012 0.000 1.102 31 I CA 1.911 63.213 61.300 0.003 0.000 1.385 31 I CB -1.759 36.229 38.000 -0.020 0.000 1.064 31 I HN 0.335 nan 8.210 nan 0.000 0.414 32 Q N 0.877 120.681 119.800 0.008 0.000 2.124 32 Q HA -0.121 4.211 4.340 -0.013 0.000 0.202 32 Q C 2.461 178.471 176.000 0.018 0.000 0.977 32 Q CA 2.018 57.827 55.803 0.010 0.000 0.850 32 Q CB -1.100 27.641 28.738 0.006 0.000 0.901 32 Q HN 0.611 nan 8.270 nan 0.000 0.429 33 A N 0.717 123.550 122.820 0.022 0.000 1.898 33 A HA 0.196 4.508 4.320 -0.013 0.000 0.216 33 A C 2.702 180.309 177.584 0.039 0.000 1.181 33 A CA 1.797 53.850 52.037 0.026 0.000 0.620 33 A CB -0.967 18.049 19.000 0.025 0.000 0.819 33 A HN 0.761 nan 8.150 nan 0.000 0.442 34 G N -0.248 108.584 108.800 0.055 0.000 2.408 34 G HA2 -0.115 3.837 3.960 -0.013 0.000 0.217 34 G HA3 -0.115 3.837 3.960 -0.013 0.000 0.217 34 G C 1.496 176.436 174.900 0.068 0.000 1.150 34 G CA 0.940 46.091 45.100 0.084 0.000 0.776 34 G HN 0.433 nan 8.290 nan 0.000 0.542 35 L N 0.651 121.901 121.223 0.045 0.000 2.201 35 L HA 0.042 4.374 4.340 -0.013 0.000 0.212 35 L C 3.097 179.983 176.870 0.027 0.000 1.105 35 L CA 0.682 55.541 54.840 0.031 0.000 0.775 35 L CB -0.198 41.870 42.059 0.015 0.000 0.913 35 L HN 0.291 nan 8.230 nan 0.000 0.440 36 A N 0.172 123.008 122.820 0.026 0.000 2.239 36 A HA 0.289 4.601 4.320 -0.013 0.000 0.209 36 A C 1.291 178.890 177.584 0.024 0.000 1.171 36 A CA 0.519 52.569 52.037 0.022 0.000 0.768 36 A CB -0.508 18.503 19.000 0.018 0.000 0.790 36 A HN 0.286 nan 8.150 nan 0.000 0.478 37 A N -0.025 122.814 122.820 0.032 0.000 2.386 37 A HA 0.516 4.829 4.320 -0.013 0.000 0.248 37 A C 0.754 178.355 177.584 0.029 0.000 1.082 37 A CA -0.167 51.889 52.037 0.032 0.000 0.789 37 A CB 0.029 19.055 19.000 0.044 0.000 1.025 37 A HN 0.329 nan 8.150 nan 0.000 0.490 38 S N 0.323 116.038 115.700 0.025 0.000 2.568 38 S HA 0.337 4.800 4.470 -0.013 0.000 0.282 38 S C 0.431 175.048 174.600 0.028 0.000 1.338 38 S CA 0.149 58.362 58.200 0.023 0.000 1.045 38 S CB 0.604 63.816 63.200 0.019 0.000 0.873 38 S HN 0.883 nan 8.310 nan 0.000 0.516 39 S N 1.560 117.276 115.700 0.027 0.000 2.557 39 S HA 0.393 4.855 4.470 -0.013 0.000 0.291 39 S C -0.486 174.132 174.600 0.031 0.000 1.116 39 S CA -0.776 57.442 58.200 0.031 0.000 0.992 39 S CB 0.881 64.100 63.200 0.031 0.000 1.028 39 S HN 0.583 nan 8.310 nan 0.000 0.484 40 S N 3.566 119.286 115.700 0.034 0.000 2.509 40 S HA 0.131 4.594 4.470 -0.013 0.000 0.287 40 S C 0.846 175.468 174.600 0.037 0.000 1.248 40 S CA 0.182 58.403 58.200 0.034 0.000 1.089 40 S CB 0.173 63.397 63.200 0.041 0.000 0.900 40 S HN 1.041 nan 8.310 nan 0.000 0.496 41 S N 2.512 118.230 115.700 0.030 0.000 3.445 41 S HA -0.254 4.208 4.470 -0.013 0.000 0.319 41 S C 0.760 175.384 174.600 0.039 0.000 1.209 41 S CA 0.919 59.137 58.200 0.030 0.000 0.934 41 S CB -1.478 61.740 63.200 0.030 0.000 0.999 41 S HN 1.047 nan 8.310 nan 0.000 0.582 42 M N -1.777 117.846 119.600 0.038 0.000 2.576 42 M HA -0.214 4.259 4.480 -0.013 0.000 0.200 42 M C 0.504 176.841 176.300 0.062 0.000 0.487 42 M CA 0.958 56.283 55.300 0.041 0.000 0.553 42 M CB -1.692 30.928 32.600 0.033 0.000 2.042 42 M HN 0.532 nan 8.290 nan 0.000 0.758 43 L N -0.372 120.896 121.223 0.076 0.000 2.156 43 L HA -0.079 4.253 4.340 -0.013 0.000 0.208 43 L C 1.130 178.102 176.870 0.170 0.000 1.095 43 L CA 1.039 55.959 54.840 0.134 0.000 0.770 43 L CB -0.284 41.824 42.059 0.082 0.000 0.914 43 L HN 0.607 nan 8.230 nan 0.000 0.439 44 Q N -0.228 119.615 119.800 0.073 0.000 2.448 44 Q HA -0.158 4.174 4.340 -0.013 0.000 0.356 44 Q C 0.438 176.456 176.000 0.030 0.000 1.430 44 Q CA 0.404 56.229 55.803 0.038 0.000 1.011 44 Q CB -1.247 27.501 28.738 0.018 0.000 1.203 44 Q HN 0.482 nan 8.270 nan 0.000 0.351 45 V N -2.565 117.323 119.914 -0.043 0.000 3.331 45 V HA 0.321 4.433 4.120 -0.013 0.000 0.332 45 V C 0.430 176.435 176.094 -0.147 0.000 1.341 45 V CA -0.188 61.994 62.300 -0.197 0.000 1.218 45 V CB 0.683 32.159 31.823 -0.579 0.000 1.152 45 V HN 0.210 nan 8.190 nan 0.000 0.445 46 V N 0.309 120.191 119.914 -0.054 0.000 2.555 46 V HA 0.650 4.762 4.120 -0.013 0.000 0.302 46 V C 0.123 176.193 176.094 -0.040 0.000 1.038 46 V CA -0.050 62.239 62.300 -0.019 0.000 0.887 46 V CB 1.643 33.502 31.823 0.060 0.000 0.991 46 V HN 0.433 nan 8.190 nan 0.000 0.434 47 S N 4.214 119.874 115.700 -0.066 0.000 2.526 47 S HA 0.748 5.210 4.470 -0.013 0.000 0.293 47 S C -0.691 173.789 174.600 -0.200 0.000 1.092 47 S CA -0.459 57.676 58.200 -0.108 0.000 0.980 47 S CB 1.514 64.662 63.200 -0.087 0.000 1.048 47 S HN 0.541 nan 8.310 nan 0.000 0.483 48 I N 2.412 122.825 120.570 -0.262 0.000 2.433 48 I HA 0.437 4.599 4.170 -0.013 0.000 0.292 48 I C -0.944 174.993 176.117 -0.299 0.000 1.001 48 I CA -0.866 60.169 61.300 -0.441 0.000 1.119 48 I CB 1.887 39.560 38.000 -0.545 0.000 1.289 48 I HN 0.226 nan 8.210 nan 0.000 0.438 49 V N 6.617 126.354 119.914 -0.295 0.000 2.311 49 V HA 0.344 4.456 4.120 -0.013 0.000 0.275 49 V C 0.288 176.277 176.094 -0.173 0.000 1.022 49 V CA -0.665 61.530 62.300 -0.175 0.000 0.830 49 V CB 1.217 32.976 31.823 -0.106 0.000 1.012 49 V HN 0.668 nan 8.190 nan 0.000 0.452 50 R N 4.139 124.561 120.500 -0.131 0.000 2.267 50 R HA 0.463 4.795 4.340 -0.013 0.000 0.319 50 R C -1.072 175.217 176.300 -0.019 0.000 1.067 50 R CA -0.314 55.730 56.100 -0.093 0.000 0.936 50 R CB 1.097 31.348 30.300 -0.081 0.000 1.006 50 R HN 0.526 nan 8.270 nan 0.000 0.452 51 V N 5.568 125.508 119.914 0.044 0.000 2.304 51 V HA 0.106 4.218 4.120 -0.013 0.000 0.269 51 V C 1.162 177.302 176.094 0.077 0.000 1.036 51 V CA -0.288 62.069 62.300 0.095 0.000 0.840 51 V CB 0.925 32.875 31.823 0.211 0.000 1.036 51 V HN 1.004 nan 8.190 nan 0.000 0.466 52 T N -0.779 113.798 114.554 0.039 0.000 3.022 52 T HA 0.067 4.409 4.350 -0.013 0.000 0.250 52 T C 0.606 175.317 174.700 0.019 0.000 1.060 52 T CA -0.123 61.993 62.100 0.026 0.000 1.013 52 T CB 0.156 69.031 68.868 0.012 0.000 0.982 52 T HN 0.506 nan 8.240 nan 0.000 0.508 53 D N 2.819 123.232 120.400 0.021 0.000 2.358 53 D HA 0.101 4.733 4.640 -0.013 0.000 0.258 53 D C 1.494 177.796 176.300 0.004 0.000 1.223 53 D CA 0.289 54.296 54.000 0.012 0.000 0.886 53 D CB 1.549 42.358 40.800 0.016 0.000 1.120 53 D HN 0.376 nan 8.370 nan 0.000 0.482 54 S N 2.671 118.368 115.700 -0.005 0.000 2.399 54 S HA -0.218 4.244 4.470 -0.013 0.000 0.231 54 S C 1.886 176.468 174.600 -0.031 0.000 1.022 54 S CA 1.394 59.584 58.200 -0.017 0.000 0.983 54 S CB -0.374 62.817 63.200 -0.015 0.000 0.803 54 S HN 0.578 nan 8.310 nan 0.000 0.480 55 E N 2.007 122.192 120.200 -0.024 0.000 2.106 55 E HA -0.050 4.292 4.350 -0.013 0.000 0.192 55 E C 1.930 178.506 176.600 -0.041 0.000 0.984 55 E CA 1.411 57.791 56.400 -0.034 0.000 0.806 55 E CB -0.821 28.866 29.700 -0.022 0.000 0.750 55 E HN 0.798 nan 8.360 nan 0.000 0.458 56 K N -0.660 119.729 120.400 -0.018 0.000 2.155 56 K HA -0.008 4.304 4.320 -0.013 0.000 0.203 56 K C 2.497 179.079 176.600 -0.030 0.000 1.052 56 K CA 0.610 56.896 56.287 -0.001 0.000 0.948 56 K CB 0.033 32.555 32.500 0.037 0.000 0.728 56 K HN 0.082 nan 8.250 nan 0.000 0.448 57 R N 0.592 121.062 120.500 -0.049 0.000 2.081 57 R HA -0.154 4.178 4.340 -0.013 0.000 0.235 57 R C 2.343 178.544 176.300 -0.165 0.000 1.131 57 R CA 1.794 57.825 56.100 -0.116 0.000 0.960 57 R CB -1.456 28.786 30.300 -0.097 0.000 0.856 57 R HN 0.422 nan 8.270 nan 0.000 0.436 58 N N 1.545 120.165 118.700 -0.134 0.000 2.120 58 N HA -0.204 4.528 4.740 -0.013 0.000 0.188 58 N C 1.821 177.199 175.510 -0.221 0.000 1.024 58 N CA 1.702 54.660 53.050 -0.155 0.000 0.852 58 N CB -0.405 38.010 38.487 -0.120 0.000 1.003 58 N HN 0.504 nan 8.380 nan 0.000 0.424 59 E N -0.032 120.024 120.200 -0.240 0.000 2.072 59 E HA 0.001 4.343 4.350 -0.013 0.000 0.191 59 E C 2.083 178.387 176.600 -0.494 0.000 0.985 59 E CA 0.870 57.001 56.400 -0.447 0.000 0.801 59 E CB -0.131 29.363 29.700 -0.343 0.000 0.750 59 E HN 0.587 nan 8.360 nan 0.000 0.452 60 L N 0.584 121.706 121.223 -0.169 0.000 2.083 60 L HA -0.162 4.170 4.340 -0.013 0.000 0.209 60 L C 2.565 179.370 176.870 -0.109 0.000 1.083 60 L CA 0.855 55.691 54.840 -0.007 0.000 0.752 60 L CB -0.425 41.623 42.059 -0.017 0.000 0.899 60 L HN 0.152 nan 8.230 nan 0.000 0.433 61 A N -0.197 122.489 122.820 -0.223 0.000 1.902 61 A HA -0.264 4.048 4.320 -0.013 0.000 0.217 61 A C 2.451 179.935 177.584 -0.167 0.000 1.181 61 A CA 2.146 54.049 52.037 -0.223 0.000 0.623 61 A CB -0.819 18.043 19.000 -0.230 0.000 0.818 61 A HN 0.455 nan 8.150 nan 0.000 0.443 62 Q N -1.562 118.109 119.800 -0.215 0.000 2.083 62 Q HA -0.056 4.277 4.340 -0.013 0.000 0.198 62 Q C 1.898 177.856 176.000 -0.069 0.000 0.969 62 Q CA 1.595 57.282 55.803 -0.194 0.000 0.838 62 Q CB -1.012 27.539 28.738 -0.311 0.000 0.900 62 Q HN 0.675 nan 8.270 nan 0.000 0.436 63 F N 0.837 120.761 119.950 -0.044 0.000 2.269 63 F HA 0.166 4.686 4.527 -0.012 0.000 0.301 63 F C 2.458 178.252 175.800 -0.009 0.000 1.082 63 F CA 0.355 58.339 58.000 -0.027 0.000 1.360 63 F CB -0.604 38.386 39.000 -0.017 0.000 1.041 63 F HN 0.370 nan 8.300 nan 0.000 0.512 64 A N -0.641 122.278 122.820 0.164 0.000 2.259 64 A HA 0.455 4.767 4.320 -0.013 0.000 0.208 64 A C 1.736 179.359 177.584 0.066 0.000 1.201 64 A CA 0.718 52.824 52.037 0.116 0.000 0.824 64 A CB -1.100 17.951 19.000 0.086 0.000 0.838 64 A HN 0.595 nan 8.150 nan 0.000 0.485 65 G N 0.023 108.852 108.800 0.049 0.000 2.164 65 G HA2 -0.192 3.760 3.960 -0.013 0.000 0.212 65 G HA3 -0.192 3.760 3.960 -0.013 0.000 0.212 65 G C 0.016 174.905 174.900 -0.020 0.000 1.031 65 G CA -0.070 45.046 45.100 0.026 0.000 0.730 65 G HN 0.708 nan 8.290 nan 0.000 0.501 66 N N -0.984 117.683 118.700 -0.056 0.000 2.754 66 N HA -0.161 4.571 4.740 -0.013 0.000 0.248 66 N C 0.274 175.694 175.510 -0.150 0.000 1.093 66 N CA 1.639 54.634 53.050 -0.093 0.000 0.699 66 N CB -0.973 37.479 38.487 -0.059 0.000 1.016 66 N HN 0.886 nan 8.380 nan 0.000 0.552 67 Q N -0.080 119.580 119.800 -0.234 0.000 2.423 67 Q HA 0.463 4.795 4.340 -0.013 0.000 0.235 67 Q C 1.401 177.033 176.000 -0.613 0.000 1.100 67 Q CA 0.219 55.711 55.803 -0.519 0.000 0.908 67 Q CB 0.682 29.078 28.738 -0.571 0.000 1.312 67 Q HN 0.397 nan 8.270 nan 0.000 0.497 68 A N 2.833 125.400 122.820 -0.422 0.000 1.958 68 A HA -0.269 4.043 4.320 -0.013 0.000 0.221 68 A C 1.438 178.951 177.584 -0.119 0.000 1.178 68 A CA 1.727 53.642 52.037 -0.203 0.000 0.642 68 A CB -0.773 18.201 19.000 -0.044 0.000 0.816 68 A HN 0.869 nan 8.150 nan 0.000 0.453 69 Y N -1.404 118.952 120.300 0.093 0.000 2.569 69 Y HA 0.067 4.609 4.550 -0.014 0.000 0.293 69 Y C 1.852 177.839 175.900 0.146 0.000 1.144 69 Y CA 0.474 58.695 58.100 0.202 0.000 1.321 69 Y CB -1.235 37.403 38.460 0.297 0.000 0.982 69 Y HN 0.021 nan 8.280 nan 0.000 0.558 70 V N 0.936 120.798 119.914 -0.088 0.000 2.548 70 V HA -0.189 3.923 4.120 -0.013 0.000 0.249 70 V C 2.577 178.496 176.094 -0.291 0.000 1.055 70 V CA 2.199 64.325 62.300 -0.291 0.000 1.065 70 V CB -0.953 30.563 31.823 -0.512 0.000 0.681 70 V HN 0.656 nan 8.190 nan 0.000 0.462 71 E N 0.048 120.149 120.200 -0.164 0.000 2.140 71 E HA -0.152 4.190 4.350 -0.013 0.000 0.191 71 E C 2.225 178.813 176.600 -0.019 0.000 0.973 71 E CA 1.226 57.560 56.400 -0.109 0.000 0.829 71 E CB -0.535 29.107 29.700 -0.096 0.000 0.781 71 E HN 0.795 nan 8.360 nan 0.000 0.466 72 S N -0.109 115.628 115.700 0.061 0.000 2.527 72 S HA 0.505 4.967 4.470 -0.013 0.000 0.222 72 S C 1.461 176.136 174.600 0.124 0.000 0.985 72 S CA 0.399 58.675 58.200 0.126 0.000 0.921 72 S CB -0.246 63.077 63.200 0.205 0.000 0.772 72 S HN 0.877 nan 8.310 nan 0.000 0.529 73 A N 1.177 124.021 122.820 0.040 0.000 2.462 73 A HA 0.721 5.033 4.320 -0.013 0.000 0.243 73 A C 1.595 179.076 177.584 -0.172 0.000 1.076 73 A CA 0.144 52.003 52.037 -0.297 0.000 0.773 73 A CB -0.183 18.620 19.000 -0.328 0.000 1.010 73 A HN 0.689 nan 8.150 nan 0.000 0.493 74 A N 1.451 124.134 122.820 -0.228 0.000 1.902 74 A HA 0.057 4.369 4.320 -0.013 0.000 0.217 74 A C 0.834 178.385 177.584 -0.056 0.000 1.181 74 A CA 1.340 53.327 52.037 -0.084 0.000 0.623 74 A CB -0.140 18.828 19.000 -0.053 0.000 0.818 74 A HN 0.753 nan 8.150 nan 0.000 0.443 75 E N -2.191 117.959 120.200 -0.082 0.000 2.272 75 E HA 0.529 4.871 4.350 -0.013 0.000 0.269 75 E C -2.005 174.637 176.600 0.070 0.000 0.877 75 E CA -0.514 55.878 56.400 -0.014 0.000 0.755 75 E CB 1.729 31.403 29.700 -0.043 0.000 1.192 75 E HN 0.179 nan 8.360 nan 0.000 0.422 76 F N 3.406 123.321 119.950 -0.058 0.000 2.500 76 F HA 0.401 4.921 4.527 -0.012 0.000 0.349 76 F C -1.344 174.441 175.800 -0.025 0.000 1.127 76 F CA -0.644 57.342 58.000 -0.022 0.000 0.998 76 F CB 0.543 39.542 39.000 -0.002 0.000 1.237 76 F HN 0.281 nan 8.300 nan 0.000 0.439 77 L N 6.505 127.432 121.223 -0.494 0.000 2.309 77 L HA 0.650 4.982 4.340 -0.013 0.000 0.282 77 L C -0.751 175.736 176.870 -0.639 0.000 1.036 77 L CA -1.198 53.351 54.840 -0.484 0.000 0.806 77 L CB 1.647 43.484 42.059 -0.369 0.000 1.220 77 L HN 0.231 nan 8.230 nan 0.000 0.429 78 V N 3.142 122.731 119.914 -0.541 0.000 2.357 78 V HA 0.354 4.466 4.120 -0.013 0.000 0.284 78 V C -0.349 175.467 176.094 -0.464 0.000 1.018 78 V CA -0.406 61.663 62.300 -0.385 0.000 0.841 78 V CB 1.187 32.896 31.823 -0.190 0.000 0.991 78 V HN 0.358 nan 8.190 nan 0.000 0.437 79 F N 3.487 123.177 119.950 -0.434 0.000 2.411 79 F HA 0.562 5.082 4.527 -0.013 0.000 0.350 79 F C 0.567 176.135 175.800 -0.387 0.000 1.114 79 F CA -0.203 57.506 58.000 -0.486 0.000 1.135 79 F CB 0.974 39.461 39.000 -0.855 0.000 1.120 79 F HN 0.404 nan 8.300 nan 0.000 0.495 80 C N 4.380 123.618 119.300 -0.105 0.000 2.707 80 C HA 0.587 5.039 4.460 -0.013 0.000 0.313 80 C C 0.149 175.131 174.990 -0.014 0.000 1.209 80 C CA -1.364 57.627 59.018 -0.045 0.000 1.635 80 C CB 1.553 29.271 27.740 -0.036 0.000 2.206 80 C HN 0.625 nan 8.230 nan 0.000 0.485 81 I N 2.322 122.905 120.570 0.022 0.000 2.441 81 I HA 0.233 4.396 4.170 -0.013 0.000 0.287 81 I C -0.325 175.789 176.117 -0.005 0.000 1.049 81 I CA 0.975 62.288 61.300 0.021 0.000 1.381 81 I CB 0.531 38.592 38.000 0.101 0.000 1.409 81 I HN 0.622 nan 8.210 nan 0.000 0.523 82 D N 5.784 126.118 120.400 -0.110 0.000 2.402 82 D HA 0.222 4.854 4.640 -0.013 0.000 0.252 82 D C -0.574 175.639 176.300 -0.146 0.000 1.294 82 D CA -0.279 53.678 54.000 -0.071 0.000 0.948 82 D CB 0.745 41.514 40.800 -0.052 0.000 1.202 82 D HN 0.305 nan 8.370 nan 0.000 0.561 83 Y N 1.627 122.001 120.300 0.123 0.000 2.531 83 Y HA 0.103 4.643 4.550 -0.017 0.000 0.249 83 Y C 1.900 177.927 175.900 0.212 0.000 1.168 83 Y CA -0.122 58.088 58.100 0.183 0.000 1.226 83 Y CB 0.689 39.151 38.460 0.003 0.000 1.177 83 Y HN 0.337 nan 8.280 nan 0.000 0.527 84 Q N 0.867 120.799 119.800 0.220 0.000 2.172 84 Q HA -0.068 4.264 4.340 -0.013 0.000 0.200 84 Q C 1.898 177.951 176.000 0.089 0.000 0.964 84 Q CA 1.453 57.334 55.803 0.130 0.000 0.855 84 Q CB 0.024 28.805 28.738 0.070 0.000 0.918 84 Q HN 0.292 nan 8.270 nan 0.000 0.444 85 R N -1.044 119.481 120.500 0.042 0.000 2.081 85 R HA -0.145 4.187 4.340 -0.013 0.000 0.235 85 R C 2.042 178.275 176.300 -0.112 0.000 1.131 85 R CA 1.682 57.724 56.100 -0.096 0.000 0.960 85 R CB -0.355 29.799 30.300 -0.243 0.000 0.856 85 R HN 0.528 nan 8.270 nan 0.000 0.436 86 H N -0.194 118.903 119.070 0.044 0.000 2.357 86 H HA 0.029 4.579 4.556 -0.010 0.000 0.301 86 H C 1.955 177.322 175.328 0.064 0.000 1.082 86 H CA 1.341 57.430 56.048 0.068 0.000 1.342 86 H CB -0.182 29.660 29.762 0.133 0.000 1.389 86 H HN 0.265 nan 8.280 nan 0.000 0.511 87 A N 0.124 123.066 122.820 0.202 0.000 2.015 87 A HA -0.146 4.166 4.320 -0.013 0.000 0.219 87 A C 2.218 179.843 177.584 0.070 0.000 1.163 87 A CA 1.840 53.949 52.037 0.120 0.000 0.646 87 A CB -0.737 18.327 19.000 0.106 0.000 0.806 87 A HN 0.419 nan 8.150 nan 0.000 0.448 88 T N 0.069 114.654 114.554 0.051 0.000 2.857 88 T HA 0.020 4.362 4.350 -0.013 0.000 0.266 88 T C 1.748 176.458 174.700 0.018 0.000 1.048 88 T CA 1.298 63.412 62.100 0.023 0.000 1.139 88 T CB -0.289 68.582 68.868 0.005 0.000 0.874 88 T HN 0.445 nan 8.240 nan 0.000 0.455 89 I N 0.744 121.325 120.570 0.018 0.000 2.286 89 I HA 0.009 4.172 4.170 -0.013 0.000 0.245 89 I C 0.899 177.034 176.117 0.030 0.000 1.104 89 I CA 0.659 61.968 61.300 0.014 0.000 1.397 89 I CB 0.075 38.078 38.000 0.004 0.000 1.072 89 I HN 0.135 nan 8.210 nan 0.000 0.417 90 N N 0.047 118.777 118.700 0.050 0.000 2.558 90 N HA 0.211 4.943 4.740 -0.013 0.000 0.285 90 N C -2.295 173.247 175.510 0.053 0.000 1.112 90 N CA -1.833 51.247 53.050 0.049 0.000 0.857 90 N CB 1.834 40.356 38.487 0.057 0.000 1.376 90 N HN -0.255 nan 8.380 nan 0.000 0.526 91 P HA 0.019 nan 4.420 nan 0.000 0.225 91 P C 0.067 177.385 177.300 0.031 0.000 1.148 91 P CA 0.838 63.958 63.100 0.033 0.000 0.779 91 P CB 0.419 32.133 31.700 0.022 0.000 0.780 92 D N -1.319 119.101 120.400 0.033 0.000 2.349 92 D HA -0.005 4.627 4.640 -0.013 0.000 0.224 92 D C 0.372 176.695 176.300 0.038 0.000 1.029 92 D CA 0.290 54.309 54.000 0.030 0.000 0.879 92 D CB -0.213 40.604 40.800 0.028 0.000 0.906 92 D HN 0.015 nan 8.370 nan 0.000 0.528 93 V N 1.706 121.650 119.914 0.049 0.000 2.599 93 V HA -0.078 4.035 4.120 -0.013 0.000 0.300 93 V C 0.627 176.740 176.094 0.032 0.000 1.034 93 V CA 0.403 62.735 62.300 0.054 0.000 1.115 93 V CB 0.621 32.498 31.823 0.090 0.000 0.934 93 V HN 0.038 nan 8.190 nan 0.000 0.485 94 Q N 3.672 123.494 119.800 0.037 0.000 2.398 94 Q HA 0.534 4.866 4.340 -0.013 0.000 0.251 94 Q C 0.411 176.404 176.000 -0.013 0.000 0.999 94 Q CA -0.203 55.620 55.803 0.034 0.000 0.874 94 Q CB 1.478 30.309 28.738 0.155 0.000 1.215 94 Q HN 0.869 nan 8.270 nan 0.000 0.470 95 A N 2.562 125.313 122.820 -0.115 0.000 2.430 95 A HA -0.002 4.310 4.320 -0.013 0.000 0.243 95 A C 0.846 178.272 177.584 -0.264 0.000 1.254 95 A CA -0.111 51.756 52.037 -0.283 0.000 0.914 95 A CB 0.255 19.093 19.000 -0.270 0.000 0.998 95 A HN 0.721 nan 8.150 nan 0.000 0.515 96 D N -0.924 119.334 120.400 -0.237 0.000 2.340 96 D HA 0.028 4.660 4.640 -0.013 0.000 0.220 96 D C -0.058 176.061 176.300 -0.301 0.000 1.039 96 D CA -0.229 53.605 54.000 -0.277 0.000 0.866 96 D CB -0.412 40.205 40.800 -0.305 0.000 0.913 96 D HN 0.278 nan 8.370 nan 0.000 0.523 97 F N 1.626 121.485 119.950 -0.152 0.000 2.495 97 F HA 0.120 4.644 4.527 -0.004 0.000 0.365 97 F C 2.059 177.793 175.800 -0.111 0.000 1.090 97 F CA -0.017 57.912 58.000 -0.118 0.000 1.235 97 F CB 1.005 39.936 39.000 -0.115 0.000 1.119 97 F HN -0.245 nan 8.300 nan 0.000 0.562 98 T N 0.912 115.527 114.554 0.102 0.000 2.778 98 T HA -0.274 4.068 4.350 -0.013 0.000 0.269 98 T C 1.888 176.619 174.700 0.052 0.000 1.050 98 T CA 1.750 63.879 62.100 0.048 0.000 1.137 98 T CB -0.220 68.671 68.868 0.038 0.000 0.860 98 T HN 0.647 nan 8.240 nan 0.000 0.468 99 E N 1.363 121.604 120.200 0.068 0.000 2.118 99 E HA -0.121 4.221 4.350 -0.013 0.000 0.195 99 E C 1.916 178.536 176.600 0.033 0.000 0.992 99 E CA 1.209 57.628 56.400 0.032 0.000 0.804 99 E CB -0.638 29.058 29.700 -0.007 0.000 0.741 99 E HN 0.517 nan 8.360 nan 0.000 0.458 100 L N -0.186 121.042 121.223 0.008 0.000 2.201 100 L HA -0.088 4.244 4.340 -0.013 0.000 0.212 100 L C 2.341 179.276 176.870 0.108 0.000 1.105 100 L CA 1.482 56.306 54.840 -0.027 0.000 0.775 100 L CB -0.510 41.310 42.059 -0.398 0.000 0.913 100 L HN 0.192 nan 8.230 nan 0.000 0.440 101 T N 0.134 114.728 114.554 0.066 0.000 2.904 101 T HA -0.028 4.315 4.350 -0.013 0.000 0.267 101 T C 2.009 176.772 174.700 0.104 0.000 1.059 101 T CA 0.825 62.986 62.100 0.102 0.000 1.137 101 T CB -0.025 68.874 68.868 0.051 0.000 0.879 101 T HN 0.180 nan 8.240 nan 0.000 0.467 102 L N 0.358 121.627 121.223 0.078 0.000 2.056 102 L HA 0.005 4.338 4.340 -0.013 0.000 0.207 102 L C 2.396 179.314 176.870 0.080 0.000 1.078 102 L CA 1.182 56.062 54.840 0.066 0.000 0.749 102 L CB -0.518 41.568 42.059 0.044 0.000 0.901 102 L HN 0.271 nan 8.230 nan 0.000 0.433 103 I N -0.137 120.492 120.570 0.098 0.000 2.226 103 I HA -0.212 3.950 4.170 -0.013 0.000 0.245 103 I C 2.605 178.789 176.117 0.112 0.000 1.100 103 I CA 1.447 62.809 61.300 0.104 0.000 1.374 103 I CB -0.768 37.312 38.000 0.133 0.000 1.057 103 I HN 0.277 nan 8.210 nan 0.000 0.413 104 G N 0.417 109.309 108.800 0.153 0.000 2.418 104 G HA2 -0.220 3.732 3.960 -0.013 0.000 0.217 104 G HA3 -0.220 3.732 3.960 -0.013 0.000 0.217 104 G C 1.857 176.825 174.900 0.113 0.000 1.158 104 G CA 0.823 45.994 45.100 0.119 0.000 0.771 104 G HN 0.487 nan 8.290 nan 0.000 0.545 105 A N 0.096 122.990 122.820 0.122 0.000 1.873 105 A HA 0.101 4.413 4.320 -0.013 0.000 0.215 105 A C 2.621 180.275 177.584 0.117 0.000 1.186 105 A CA 1.836 53.955 52.037 0.135 0.000 0.616 105 A CB -0.704 18.364 19.000 0.113 0.000 0.823 105 A HN 0.243 nan 8.150 nan 0.000 0.442 106 V N 0.722 120.684 119.914 0.081 0.000 2.261 106 V HA -0.258 3.854 4.120 -0.013 0.000 0.246 106 V C 2.182 178.313 176.094 0.062 0.000 1.047 106 V CA 2.447 64.780 62.300 0.055 0.000 1.015 106 V CB -0.950 30.898 31.823 0.041 0.000 0.642 106 V HN 0.501 nan 8.190 nan 0.000 0.446 107 D N -0.102 120.339 120.400 0.069 0.000 2.178 107 D HA -0.117 4.515 4.640 -0.013 0.000 0.201 107 D C 2.421 178.776 176.300 0.091 0.000 0.980 107 D CA 1.482 55.522 54.000 0.067 0.000 0.842 107 D CB -0.236 40.597 40.800 0.055 0.000 0.948 107 D HN 0.350 nan 8.370 nan 0.000 0.472 108 S N -0.288 115.487 115.700 0.125 0.000 2.355 108 S HA -0.069 4.393 4.470 -0.013 0.000 0.222 108 S C 2.128 176.844 174.600 0.194 0.000 1.031 108 S CA 1.177 59.483 58.200 0.177 0.000 0.993 108 S CB -0.592 62.730 63.200 0.202 0.000 0.859 108 S HN 0.418 nan 8.310 nan 0.000 0.453 109 G N 1.732 110.634 108.800 0.171 0.000 2.418 109 G HA2 -0.149 3.803 3.960 -0.013 0.000 0.217 109 G HA3 -0.149 3.803 3.960 -0.013 0.000 0.217 109 G C 1.335 176.246 174.900 0.018 0.000 1.158 109 G CA 0.696 45.825 45.100 0.048 0.000 0.771 109 G HN 0.480 nan 8.290 nan 0.000 0.545 110 I N 0.204 120.792 120.570 0.031 0.000 2.179 110 I HA -0.192 3.970 4.170 -0.013 0.000 0.242 110 I C 2.781 178.921 176.117 0.039 0.000 1.088 110 I CA 1.495 62.810 61.300 0.025 0.000 1.357 110 I CB -0.249 37.769 38.000 0.030 0.000 1.051 110 I HN 0.233 nan 8.210 nan 0.000 0.409 111 M N 0.895 120.533 119.600 0.064 0.000 2.067 111 M HA -0.203 4.269 4.480 -0.013 0.000 0.260 111 M C 2.482 178.827 176.300 0.075 0.000 1.069 111 M CA 2.258 57.617 55.300 0.098 0.000 1.117 111 M CB -0.160 32.543 32.600 0.172 0.000 1.334 111 M HN 0.244 nan 8.290 nan 0.000 0.407 112 A N -0.173 122.602 122.820 -0.076 0.000 1.940 112 A HA -0.271 4.041 4.320 -0.013 0.000 0.219 112 A C 1.937 179.486 177.584 -0.058 0.000 1.176 112 A CA 2.122 53.972 52.037 -0.310 0.000 0.631 112 A CB -0.936 17.749 19.000 -0.524 0.000 0.814 112 A HN 0.677 nan 8.150 nan 0.000 0.446 113 Q N 0.201 120.025 119.800 0.040 0.000 2.119 113 Q HA -0.128 4.204 4.340 -0.013 0.000 0.201 113 Q C 1.723 177.733 176.000 0.017 0.000 0.972 113 Q CA 1.994 57.830 55.803 0.056 0.000 0.847 113 Q CB -0.419 28.337 28.738 0.030 0.000 0.903 113 Q HN 0.628 nan 8.270 nan 0.000 0.433 114 N N -0.971 117.745 118.700 0.025 0.000 2.188 114 N HA -0.111 4.622 4.740 -0.013 0.000 0.184 114 N C 1.534 177.064 175.510 0.032 0.000 1.018 114 N CA 1.308 54.375 53.050 0.028 0.000 0.858 114 N CB -0.573 37.937 38.487 0.039 0.000 0.989 114 N HN 0.307 nan 8.380 nan 0.000 0.426 115 C N -0.075 119.255 119.300 0.050 0.000 2.432 115 C HA -0.002 4.451 4.460 -0.013 0.000 0.277 115 C C 2.660 177.660 174.990 0.016 0.000 1.249 115 C CA 0.085 59.139 59.018 0.060 0.000 1.725 115 C CB -1.123 26.708 27.740 0.152 0.000 2.028 115 C HN 0.412 nan 8.230 nan 0.000 0.477 116 L N 0.518 121.727 121.223 -0.024 0.000 2.017 116 L HA -0.073 4.259 4.340 -0.013 0.000 0.208 116 L C 2.314 179.182 176.870 -0.005 0.000 1.073 116 L CA 1.784 56.597 54.840 -0.045 0.000 0.745 116 L CB -0.755 41.235 42.059 -0.116 0.000 0.894 116 L HN 0.299 nan 8.230 nan 0.000 0.432 117 L N -0.862 120.360 121.223 -0.002 0.000 2.083 117 L HA -0.201 4.132 4.340 -0.013 0.000 0.209 117 L C 2.633 179.513 176.870 0.016 0.000 1.083 117 L CA 1.150 55.996 54.840 0.010 0.000 0.752 117 L CB -0.812 41.249 42.059 0.004 0.000 0.899 117 L HN 0.400 nan 8.230 nan 0.000 0.433 118 A N -0.034 122.794 122.820 0.014 0.000 1.877 118 A HA -0.203 4.109 4.320 -0.013 0.000 0.216 118 A C 2.515 180.105 177.584 0.010 0.000 1.186 118 A CA 1.838 53.884 52.037 0.014 0.000 0.620 118 A CB -0.711 18.299 19.000 0.016 0.000 0.822 118 A HN 0.417 nan 8.150 nan 0.000 0.443 119 A N -0.221 122.603 122.820 0.007 0.000 1.877 119 A HA -0.167 4.145 4.320 -0.013 0.000 0.216 119 A C 1.904 179.492 177.584 0.008 0.000 1.186 119 A CA 1.623 53.658 52.037 -0.003 0.000 0.620 119 A CB -0.591 18.404 19.000 -0.009 0.000 0.822 119 A HN 0.629 nan 8.150 nan 0.000 0.443 120 E N 0.342 120.559 120.200 0.028 0.000 2.153 120 E HA -0.151 4.191 4.350 -0.013 0.000 0.194 120 E C 2.207 178.829 176.600 0.037 0.000 0.988 120 E CA 1.355 57.783 56.400 0.047 0.000 0.811 120 E CB -0.192 29.554 29.700 0.076 0.000 0.746 120 E HN 0.800 nan 8.360 nan 0.000 0.466 121 S N 0.208 115.924 115.700 0.028 0.000 2.481 121 S HA -0.044 4.418 4.470 -0.013 0.000 0.231 121 S C 1.791 176.405 174.600 0.023 0.000 0.996 121 S CA 0.574 58.789 58.200 0.025 0.000 0.942 121 S CB -0.074 63.139 63.200 0.021 0.000 0.768 121 S HN 0.164 nan 8.310 nan 0.000 0.520 122 M N 0.794 120.405 119.600 0.018 0.000 2.495 122 M HA 0.305 4.777 4.480 -0.013 0.000 0.237 122 M C 1.513 177.828 176.300 0.025 0.000 1.131 122 M CA 0.540 55.851 55.300 0.018 0.000 1.032 122 M CB 0.285 32.889 32.600 0.005 0.000 1.513 122 M HN 0.577 nan 8.290 nan 0.000 0.488 123 G N 1.136 109.953 108.800 0.028 0.000 2.157 123 G HA2 -0.206 3.746 3.960 -0.013 0.000 0.239 123 G HA3 -0.206 3.746 3.960 -0.013 0.000 0.239 123 G C 0.022 174.940 174.900 0.030 0.000 0.982 123 G CA -0.318 44.808 45.100 0.043 0.000 0.650 123 G HN 0.373 nan 8.290 nan 0.000 0.527 124 L N 0.037 121.250 121.223 -0.016 0.000 2.469 124 L HA 0.768 5.100 4.340 -0.013 0.000 0.253 124 L C 1.143 178.038 176.870 0.042 0.000 1.143 124 L CA -0.303 54.504 54.840 -0.056 0.000 0.804 124 L CB 1.177 43.159 42.059 -0.129 0.000 1.214 124 L HN 0.236 nan 8.230 nan 0.000 0.476 125 G N -1.347 107.522 108.800 0.114 0.000 2.605 125 G HA2 0.742 4.695 3.960 -0.013 0.000 0.296 125 G HA3 0.742 4.695 3.960 -0.013 0.000 0.296 125 G C -1.164 173.914 174.900 0.298 0.000 1.304 125 G CA -0.317 44.896 45.100 0.189 0.000 0.941 125 G HN 0.860 nan 8.290 nan 0.000 0.475 126 G N -2.229 106.734 108.800 0.271 0.000 2.608 126 G HA2 0.708 4.660 3.960 -0.013 0.000 0.291 126 G HA3 0.708 4.660 3.960 -0.013 0.000 0.291 126 G C -1.983 173.065 174.900 0.245 0.000 1.425 126 G CA -0.110 45.157 45.100 0.278 0.000 0.787 126 G HN 1.652 nan 8.290 nan 0.000 0.484 127 V N -0.431 119.620 119.914 0.229 0.000 2.924 127 V HA 0.593 4.705 4.120 -0.013 0.000 0.300 127 V C -1.610 174.617 176.094 0.221 0.000 1.227 127 V CA -1.020 61.421 62.300 0.235 0.000 0.954 127 V CB 1.460 33.415 31.823 0.221 0.000 1.055 127 V HN 0.773 nan 8.190 nan 0.000 0.429 128 Y N 5.888 126.289 120.300 0.169 0.000 2.397 128 Y HA 0.478 5.021 4.550 -0.012 0.000 0.335 128 Y C 0.706 176.749 175.900 0.238 0.000 1.213 128 Y CA -0.129 58.057 58.100 0.143 0.000 1.391 128 Y CB 0.915 39.340 38.460 -0.057 0.000 1.293 128 Y HN 0.375 nan 8.280 nan 0.000 0.557 129 I N 3.053 123.909 120.570 0.475 0.000 2.555 129 I HA 0.156 4.318 4.170 -0.013 0.000 0.275 129 I C 0.977 177.342 176.117 0.413 0.000 1.082 129 I CA -0.183 61.388 61.300 0.452 0.000 1.167 129 I CB 0.625 38.963 38.000 0.563 0.000 1.312 129 I HN 0.922 nan 8.210 nan 0.000 0.493 130 G N 3.575 112.562 108.800 0.312 0.000 2.712 130 G HA2 -0.056 3.896 3.960 -0.013 0.000 0.212 130 G HA3 -0.056 3.896 3.960 -0.013 0.000 0.212 130 G C 1.391 176.426 174.900 0.225 0.000 1.142 130 G CA 0.575 45.833 45.100 0.263 0.000 0.789 130 G HN 0.644 nan 8.290 nan 0.000 0.535 131 G N 1.101 110.035 108.800 0.222 0.000 2.501 131 G HA2 -0.164 3.788 3.960 -0.013 0.000 0.220 131 G HA3 -0.164 3.788 3.960 -0.013 0.000 0.220 131 G C 1.640 176.646 174.900 0.177 0.000 1.114 131 G CA 0.391 45.599 45.100 0.180 0.000 0.757 131 G HN 0.449 nan 8.290 nan 0.000 0.559 132 L N -0.313 121.040 121.223 0.218 0.000 2.187 132 L HA -0.066 4.266 4.340 -0.013 0.000 0.213 132 L C 2.973 179.908 176.870 0.107 0.000 1.100 132 L CA 0.811 55.766 54.840 0.192 0.000 0.765 132 L CB -0.273 41.930 42.059 0.239 0.000 0.904 132 L HN 0.205 nan 8.230 nan 0.000 0.437 133 R N -0.156 120.417 120.500 0.121 0.000 2.285 133 R HA -0.090 4.242 4.340 -0.013 0.000 0.213 133 R C 1.726 178.127 176.300 0.168 0.000 1.068 133 R CA 0.531 56.684 56.100 0.089 0.000 1.004 133 R CB -0.387 29.972 30.300 0.098 0.000 0.873 133 R HN 0.443 nan 8.270 nan 0.000 0.467 134 N N 0.617 119.402 118.700 0.141 0.000 2.166 134 N HA -0.085 4.647 4.740 -0.013 0.000 0.186 134 N C 0.389 175.884 175.510 -0.025 0.000 1.019 134 N CA 1.258 54.384 53.050 0.126 0.000 0.856 134 N CB 0.094 38.634 38.487 0.089 0.000 0.993 134 N HN -0.015 nan 8.380 nan 0.000 0.426 135 S N -0.299 115.354 115.700 -0.079 0.000 2.422 135 S HA 0.495 4.958 4.470 -0.013 0.000 0.226 135 S C 1.101 175.491 174.600 -0.350 0.000 1.242 135 S CA -0.264 57.775 58.200 -0.269 0.000 1.231 135 S CB 0.928 63.919 63.200 -0.348 0.000 1.067 135 S HN 0.367 nan 8.310 nan 0.000 0.462 136 A N 2.238 124.882 122.820 -0.295 0.000 1.884 136 A HA -0.132 4.180 4.320 -0.013 0.000 0.219 136 A C 2.359 179.520 177.584 -0.704 0.000 1.197 136 A CA 2.156 53.847 52.037 -0.577 0.000 0.637 136 A CB -1.145 17.320 19.000 -0.892 0.000 0.827 136 A HN 0.741 nan 8.150 nan 0.000 0.450 137 A N -1.496 121.007 122.820 -0.530 0.000 1.908 137 A HA -0.195 4.118 4.320 -0.013 0.000 0.218 137 A C 2.090 179.549 177.584 -0.207 0.000 1.181 137 A CA 2.058 53.968 52.037 -0.213 0.000 0.627 137 A CB -0.495 18.471 19.000 -0.056 0.000 0.818 137 A HN 0.557 nan 8.150 nan 0.000 0.445 138 Q N -0.644 118.932 119.800 -0.374 0.000 2.123 138 Q HA -0.003 4.329 4.340 -0.013 0.000 0.199 138 Q C 2.039 177.755 176.000 -0.473 0.000 0.966 138 Q CA 1.395 56.902 55.803 -0.493 0.000 0.845 138 Q CB -0.455 27.730 28.738 -0.922 0.000 0.907 138 Q HN 0.441 nan 8.270 nan 0.000 0.439 139 V N 1.185 120.817 119.914 -0.470 0.000 2.427 139 V HA -0.237 3.875 4.120 -0.013 0.000 0.248 139 V C 1.973 178.038 176.094 -0.049 0.000 1.051 139 V CA 1.912 64.105 62.300 -0.179 0.000 1.048 139 V CB -0.522 31.242 31.823 -0.098 0.000 0.666 139 V HN 0.473 nan 8.190 nan 0.000 0.456 140 D N 0.614 120.980 120.400 -0.058 0.000 2.084 140 D HA -0.208 4.424 4.640 -0.013 0.000 0.194 140 D C 2.263 178.592 176.300 0.049 0.000 0.990 140 D CA 2.029 56.065 54.000 0.059 0.000 0.826 140 D CB 0.261 41.180 40.800 0.198 0.000 0.971 140 D HN 0.541 nan 8.370 nan 0.000 0.453 141 E N 0.848 121.060 120.200 0.020 0.000 2.110 141 E HA -0.164 4.178 4.350 -0.013 0.000 0.193 141 E C 2.123 178.746 176.600 0.039 0.000 0.988 141 E CA 1.089 57.505 56.400 0.027 0.000 0.804 141 E CB -1.029 28.678 29.700 0.012 0.000 0.745 141 E HN 0.288 nan 8.360 nan 0.000 0.458 142 L N -0.248 121.004 121.223 0.049 0.000 2.083 142 L HA 0.009 4.341 4.340 -0.013 0.000 0.209 142 L C 2.328 179.242 176.870 0.073 0.000 1.083 142 L CA 1.577 56.471 54.840 0.089 0.000 0.752 142 L CB -0.079 42.079 42.059 0.166 0.000 0.899 142 L HN 0.394 nan 8.230 nan 0.000 0.433 143 L N -0.747 120.514 121.223 0.063 0.000 2.558 143 L HA 0.240 4.572 4.340 -0.013 0.000 0.225 143 L C 1.332 178.223 176.870 0.036 0.000 1.128 143 L CA 0.448 55.318 54.840 0.051 0.000 0.868 143 L CB -0.784 41.305 42.059 0.049 0.000 1.006 143 L HN 0.490 nan 8.230 nan 0.000 0.454 144 G N 1.472 110.295 108.800 0.038 0.000 2.273 144 G HA2 -0.280 3.672 3.960 -0.013 0.000 0.280 144 G HA3 -0.280 3.672 3.960 -0.013 0.000 0.280 144 G C 0.125 175.043 174.900 0.030 0.000 1.047 144 G CA -0.150 44.969 45.100 0.031 0.000 0.869 144 G HN 0.256 nan 8.290 nan 0.000 0.502 145 L N 1.267 122.514 121.223 0.040 0.000 2.410 145 L HA 0.317 4.649 4.340 -0.013 0.000 0.273 145 L C -0.522 176.370 176.870 0.036 0.000 1.152 145 L CA -1.651 53.213 54.840 0.040 0.000 0.855 145 L CB 0.412 42.508 42.059 0.061 0.000 1.129 145 L HN 0.147 nan 8.230 nan 0.000 0.463 146 P HA 0.196 nan 4.420 nan 0.000 0.297 146 P C -0.327 176.986 177.300 0.021 0.000 1.303 146 P CA -0.378 62.736 63.100 0.023 0.000 0.753 146 P CB 0.393 32.106 31.700 0.021 0.000 1.281 147 E N -0.549 119.660 120.200 0.016 0.000 2.404 147 E HA 0.069 4.411 4.350 -0.013 0.000 0.261 147 E C 0.664 177.280 176.600 0.028 0.000 1.074 147 E CA -0.219 56.186 56.400 0.007 0.000 0.917 147 E CB -0.953 28.749 29.700 0.003 0.000 0.965 147 E HN 0.549 nan 8.360 nan 0.000 0.433 148 N N -1.152 117.560 118.700 0.021 0.000 2.800 148 N HA -0.148 4.585 4.740 -0.013 0.000 0.250 148 N C -0.431 175.148 175.510 0.115 0.000 1.078 148 N CA 1.418 54.512 53.050 0.074 0.000 0.804 148 N CB -1.582 36.976 38.487 0.118 0.000 1.135 148 N HN 0.678 nan 8.380 nan 0.000 0.565 149 S N -1.071 114.662 115.700 0.055 0.000 2.541 149 S HA 0.879 5.341 4.470 -0.013 0.000 0.280 149 S C -1.178 173.439 174.600 0.028 0.000 1.112 149 S CA 0.192 58.425 58.200 0.054 0.000 0.925 149 S CB 2.018 65.244 63.200 0.043 0.000 1.067 149 S HN 0.574 nan 8.310 nan 0.000 0.479 150 A N 2.468 125.321 122.820 0.056 0.000 2.594 150 A HA 0.720 5.032 4.320 -0.013 0.000 0.295 150 A C -0.907 176.778 177.584 0.169 0.000 1.071 150 A CA -0.567 51.535 52.037 0.109 0.000 0.685 150 A CB 1.337 20.331 19.000 -0.010 0.000 1.285 150 A HN 1.152 nan 8.150 nan 0.000 0.405 151 V N 2.989 123.069 119.914 0.276 0.000 2.583 151 V HA 0.469 4.581 4.120 -0.013 0.000 0.287 151 V C 0.276 176.470 176.094 0.167 0.000 1.051 151 V CA 0.102 62.495 62.300 0.155 0.000 1.010 151 V CB 0.809 32.697 31.823 0.108 0.000 0.988 151 V HN 0.835 nan 8.190 nan 0.000 0.478 152 L N 5.703 126.972 121.223 0.076 0.000 2.519 152 L HA 0.492 4.824 4.340 -0.013 0.000 0.194 152 L C -0.047 176.997 176.870 0.290 0.000 1.072 152 L CA 0.326 55.261 54.840 0.158 0.000 0.845 152 L CB 0.350 42.483 42.059 0.122 0.000 1.138 152 L HN 0.759 nan 8.230 nan 0.000 0.487 153 F N -2.216 117.846 119.950 0.187 0.000 2.807 153 F HA 0.716 5.233 4.527 -0.016 0.000 0.316 153 F C -0.426 175.505 175.800 0.219 0.000 1.162 153 F CA -0.998 57.124 58.000 0.202 0.000 0.910 153 F CB 0.425 39.546 39.000 0.202 0.000 1.314 153 F HN -0.151 nan 8.300 nan 0.000 0.454 154 G N 0.357 109.415 108.800 0.429 0.000 2.820 154 G HA2 0.720 4.672 3.960 -0.013 0.000 0.291 154 G HA3 0.720 4.672 3.960 -0.013 0.000 0.291 154 G C -1.852 173.174 174.900 0.211 0.000 1.323 154 G CA -1.143 43.999 45.100 0.069 0.000 1.055 154 G HN 0.996 nan 8.290 nan 0.000 0.520 155 M N 0.016 119.519 119.600 -0.162 0.000 2.255 155 M HA 0.373 4.845 4.480 -0.013 0.000 0.275 155 M C -1.627 174.706 176.300 0.055 0.000 1.050 155 M CA -0.515 54.804 55.300 0.031 0.000 0.978 155 M CB 1.332 33.965 32.600 0.053 0.000 1.761 155 M HN 0.501 nan 8.290 nan 0.000 0.479 156 C N 5.172 124.627 119.300 0.258 0.000 2.388 156 C HA 0.750 5.202 4.460 -0.013 0.000 0.362 156 C C -0.226 174.766 174.990 0.004 0.000 1.266 156 C CA -0.487 58.673 59.018 0.238 0.000 2.028 156 C CB 0.098 28.076 27.740 0.396 0.000 2.440 156 C HN 0.778 nan 8.230 nan 0.000 0.547 157 L N 2.696 123.792 121.223 -0.212 0.000 2.409 157 L HA 0.918 5.251 4.340 -0.013 0.000 0.262 157 L C 0.343 176.927 176.870 -0.476 0.000 0.992 157 L CA 0.010 54.711 54.840 -0.231 0.000 0.817 157 L CB 2.199 44.193 42.059 -0.108 0.000 1.350 157 L HN 0.944 nan 8.230 nan 0.000 0.411 158 G N -0.472 108.143 108.800 -0.309 0.000 2.327 158 G HA2 0.144 4.096 3.960 -0.013 0.000 0.291 158 G HA3 0.144 4.096 3.960 -0.013 0.000 0.291 158 G C -1.738 173.190 174.900 0.047 0.000 1.290 158 G CA -0.871 44.097 45.100 -0.221 0.000 0.857 158 G HN 0.491 nan 8.290 nan 0.000 0.520 159 H N 0.878 120.081 119.070 0.222 0.000 2.690 159 H HA 0.321 4.870 4.556 -0.012 0.000 0.314 159 H C -2.100 173.398 175.328 0.283 0.000 1.069 159 H CA -0.729 55.444 56.048 0.209 0.000 1.436 159 H CB 1.258 31.096 29.762 0.125 0.000 1.462 159 H HN 0.072 nan 8.280 nan 0.000 0.511 160 P HA -0.046 nan 4.420 nan 0.000 0.268 160 P C 0.279 177.611 177.300 0.053 0.000 1.205 160 P CA 0.308 63.462 63.100 0.089 0.000 0.771 160 P CB 0.639 32.367 31.700 0.047 0.000 0.858 161 D N 1.385 121.759 120.400 -0.044 0.000 2.740 161 D HA 0.115 4.748 4.640 -0.013 0.000 0.301 161 D C -0.610 175.651 176.300 -0.064 0.000 1.408 161 D CA -0.068 53.917 54.000 -0.025 0.000 0.808 161 D CB 0.123 40.922 40.800 -0.001 0.000 1.128 161 D HN 0.407 nan 8.370 nan 0.000 0.465 162 Q N -1.151 118.602 119.800 -0.079 0.000 2.647 162 Q HA 0.372 4.704 4.340 -0.013 0.000 0.283 162 Q C -1.698 174.261 176.000 -0.069 0.000 0.943 162 Q CA -1.101 54.653 55.803 -0.080 0.000 0.813 162 Q CB 0.542 29.209 28.738 -0.117 0.000 1.477 162 Q HN -0.091 nan 8.270 nan 0.000 0.393 163 N N 1.249 119.915 118.700 -0.057 0.000 2.790 163 N HA 0.424 5.157 4.740 -0.013 0.000 0.256 163 N C -2.717 172.763 175.510 -0.050 0.000 1.409 163 N CA -1.129 51.893 53.050 -0.047 0.000 0.799 163 N CB 1.084 39.552 38.487 -0.031 0.000 1.170 163 N HN 0.488 nan 8.380 nan 0.000 0.507 164 P HA 0.286 nan 4.420 nan 0.000 0.274 164 P C -0.172 177.117 177.300 -0.019 0.000 1.231 164 P CA -0.117 62.959 63.100 -0.041 0.000 0.790 164 P CB 0.459 32.135 31.700 -0.041 0.000 0.951 165 E N 1.032 121.240 120.200 0.014 0.000 2.349 165 E HA 0.313 4.655 4.350 -0.013 0.000 0.265 165 E C -0.188 176.488 176.600 0.128 0.000 1.064 165 E CA -0.755 55.683 56.400 0.063 0.000 0.886 165 E CB 0.276 30.008 29.700 0.052 0.000 1.036 165 E HN 0.369 nan 8.360 nan 0.000 0.413 166 V N 3.314 123.262 119.914 0.056 0.000 2.585 166 V HA 0.092 4.204 4.120 -0.013 0.000 0.296 166 V C 0.698 176.732 176.094 -0.100 0.000 1.035 166 V CA 0.058 62.344 62.300 -0.024 0.000 1.084 166 V CB 0.615 32.422 31.823 -0.028 0.000 0.953 166 V HN 0.718 nan 8.190 nan 0.000 0.483 167 K N 6.761 127.005 120.400 -0.261 0.000 2.276 167 K HA 0.335 4.648 4.320 -0.013 0.000 0.283 167 K C -2.173 174.239 176.600 -0.314 0.000 1.044 167 K CA -1.312 54.642 56.287 -0.555 0.000 0.944 167 K CB 1.026 33.246 32.500 -0.468 0.000 1.012 167 K HN 0.517 nan 8.250 nan 0.000 0.472 168 P HA 0.233 nan 4.420 nan 0.000 0.278 168 P C -0.761 176.527 177.300 -0.020 0.000 1.238 168 P CA -0.461 62.568 63.100 -0.119 0.000 0.794 168 P CB 1.112 32.766 31.700 -0.077 0.000 0.955 169 R N 0.886 121.345 120.500 -0.068 0.000 2.797 169 R HA 0.541 4.873 4.340 -0.013 0.000 0.251 169 R C 0.007 175.996 176.300 -0.519 0.000 1.107 169 R CA -1.146 54.819 56.100 -0.225 0.000 1.084 169 R CB 0.054 30.235 30.300 -0.199 0.000 1.205 169 R HN 0.409 nan 8.270 nan 0.000 0.515 170 L N 3.737 124.408 121.223 -0.919 0.000 2.514 170 L HA 0.151 4.483 4.340 -0.013 0.000 0.280 170 L C -1.557 174.996 176.870 -0.529 0.000 1.223 170 L CA -1.176 53.063 54.840 -1.001 0.000 0.864 170 L CB 0.181 41.751 42.059 -0.816 0.000 1.118 170 L HN 0.418 nan 8.230 nan 0.000 0.494 171 P HA -0.041 nan 4.420 nan 0.000 0.268 171 P C 0.091 177.161 177.300 -0.384 0.000 1.208 171 P CA -0.156 62.726 63.100 -0.363 0.000 0.777 171 P CB 0.803 32.258 31.700 -0.408 0.000 0.875 172 A N 2.650 125.337 122.820 -0.222 0.000 1.940 172 A HA -0.231 4.081 4.320 -0.013 0.000 0.219 172 A C 2.038 179.516 177.584 -0.177 0.000 1.176 172 A CA 1.754 53.694 52.037 -0.163 0.000 0.631 172 A CB -1.703 17.251 19.000 -0.076 0.000 0.814 172 A HN 0.830 nan 8.150 nan 0.000 0.446 173 H N -1.569 117.415 119.070 -0.144 0.000 2.545 173 H HA 0.057 4.605 4.556 -0.013 0.000 0.282 173 H C 1.549 176.736 175.328 -0.236 0.000 1.020 173 H CA 1.422 57.370 56.048 -0.167 0.000 1.243 173 H CB -0.446 29.241 29.762 -0.125 0.000 1.377 173 H HN 0.282 nan 8.280 nan 0.000 0.581 174 V N 0.772 120.363 119.914 -0.539 0.000 2.575 174 V HA -0.107 4.005 4.120 -0.013 0.000 0.242 174 V C 2.736 178.599 176.094 -0.386 0.000 1.045 174 V CA 0.795 62.835 62.300 -0.434 0.000 1.065 174 V CB 0.165 31.726 31.823 -0.437 0.000 0.717 174 V HN 0.233 nan 8.190 nan 0.000 0.467 175 V N -0.215 119.513 119.914 -0.310 0.000 2.591 175 V HA 0.022 4.134 4.120 -0.013 0.000 0.249 175 V C 0.900 176.909 176.094 -0.142 0.000 1.053 175 V CA 0.727 62.918 62.300 -0.181 0.000 1.068 175 V CB 0.170 31.904 31.823 -0.148 0.000 0.689 175 V HN 0.318 nan 8.190 nan 0.000 0.462 176 V N 1.421 121.212 119.914 -0.205 0.000 2.407 176 V HA 0.350 4.462 4.120 -0.013 0.000 0.278 176 V C -0.290 175.653 176.094 -0.253 0.000 1.037 176 V CA -0.630 61.598 62.300 -0.120 0.000 0.900 176 V CB 0.793 32.572 31.823 -0.073 0.000 0.983 176 V HN 0.440 nan 8.190 nan 0.000 0.459 177 H N 2.521 121.544 119.070 -0.079 0.000 2.469 177 H HA 0.567 5.117 4.556 -0.009 0.000 0.342 177 H C 0.157 175.461 175.328 -0.040 0.000 1.115 177 H CA -0.322 55.674 56.048 -0.087 0.000 1.204 177 H CB 1.915 31.602 29.762 -0.124 0.000 1.492 177 H HN 0.772 nan 8.280 nan 0.000 0.499 178 E N 2.482 122.720 120.200 0.063 0.000 2.081 178 E HA 0.124 4.466 4.350 -0.013 0.000 0.281 178 E C 0.639 177.270 176.600 0.052 0.000 0.986 178 E CA -0.682 55.743 56.400 0.041 0.000 0.796 178 E CB -0.040 29.668 29.700 0.013 0.000 1.085 178 E HN 0.786 nan 8.360 nan 0.000 0.398 179 N N -0.607 118.123 118.700 0.049 0.000 2.804 179 N HA -0.228 4.504 4.740 -0.013 0.000 0.220 179 N C 0.666 176.207 175.510 0.052 0.000 0.878 179 N CA 2.345 55.420 53.050 0.042 0.000 1.387 179 N CB -0.923 37.582 38.487 0.031 0.000 0.940 179 N HN 1.519 nan 8.380 nan 0.000 0.592 180 Q N -0.785 119.058 119.800 0.071 0.000 2.462 180 Q HA 0.592 4.924 4.340 -0.013 0.000 0.285 180 Q C -1.237 174.837 176.000 0.123 0.000 1.035 180 Q CA -0.539 55.315 55.803 0.085 0.000 0.799 180 Q CB 1.027 29.809 28.738 0.074 0.000 1.452 180 Q HN 0.308 nan 8.270 nan 0.000 0.404 181 Y N 1.477 121.757 120.300 -0.033 0.000 2.544 181 Y HA 0.448 4.989 4.550 -0.015 0.000 0.330 181 Y C 0.660 176.622 175.900 0.103 0.000 1.136 181 Y CA 1.397 59.436 58.100 -0.102 0.000 1.417 181 Y CB 0.470 38.813 38.460 -0.195 0.000 1.229 181 Y HN 0.991 nan 8.280 nan 0.000 0.532 182 Q N 3.535 123.375 119.800 0.066 0.000 2.235 182 Q HA 0.636 4.968 4.340 -0.013 0.000 0.256 182 Q C -0.049 175.954 176.000 0.006 0.000 0.951 182 Q CA -0.406 55.432 55.803 0.058 0.000 0.890 182 Q CB 0.495 29.238 28.738 0.009 0.000 1.279 182 Q HN 0.948 nan 8.270 nan 0.000 0.444 183 E N 0.831 121.084 120.200 0.088 0.000 2.392 183 E HA 0.481 4.823 4.350 -0.013 0.000 0.264 183 E C -0.169 176.468 176.600 0.063 0.000 1.024 183 E CA -0.369 56.101 56.400 0.117 0.000 0.903 183 E CB 0.701 30.462 29.700 0.100 0.000 0.963 183 E HN 1.039 nan 8.360 nan 0.000 0.432 184 L N 2.331 123.608 121.223 0.089 0.000 2.410 184 L HA 0.238 4.570 4.340 -0.013 0.000 0.273 184 L C 0.037 176.940 176.870 0.056 0.000 1.152 184 L CA -0.174 54.703 54.840 0.061 0.000 0.855 184 L CB 1.243 43.358 42.059 0.092 0.000 1.129 184 L HN 0.654 nan 8.230 nan 0.000 0.463 185 N N 4.643 123.370 118.700 0.044 0.000 2.462 185 N HA 0.150 4.883 4.740 -0.013 0.000 0.242 185 N C 0.747 176.293 175.510 0.060 0.000 1.010 185 N CA -0.124 52.956 53.050 0.049 0.000 0.939 185 N CB 0.588 39.104 38.487 0.048 0.000 1.127 185 N HN 0.790 nan 8.380 nan 0.000 0.509 186 L N 1.712 122.972 121.223 0.063 0.000 2.349 186 L HA -0.144 4.188 4.340 -0.013 0.000 0.220 186 L C 1.012 177.928 176.870 0.076 0.000 1.130 186 L CA 0.750 55.634 54.840 0.074 0.000 0.791 186 L CB -0.078 42.021 42.059 0.067 0.000 0.918 186 L HN 0.468 nan 8.230 nan 0.000 0.444 187 D N -0.029 120.410 120.400 0.065 0.000 2.144 187 D HA -0.159 4.473 4.640 -0.013 0.000 0.200 187 D C 1.773 178.120 176.300 0.077 0.000 0.978 187 D CA 0.982 55.020 54.000 0.064 0.000 0.833 187 D CB -0.034 40.796 40.800 0.050 0.000 0.961 187 D HN 0.275 nan 8.370 nan 0.000 0.470 188 D N 0.093 120.543 120.400 0.083 0.000 2.178 188 D HA -0.091 4.541 4.640 -0.013 0.000 0.202 188 D C 2.065 178.418 176.300 0.088 0.000 0.974 188 D CA 0.324 54.375 54.000 0.085 0.000 0.841 188 D CB 0.120 40.963 40.800 0.071 0.000 0.953 188 D HN 0.210 nan 8.370 nan 0.000 0.478 189 I N 0.846 121.483 120.570 0.112 0.000 2.353 189 I HA -0.171 3.991 4.170 -0.013 0.000 0.248 189 I C 2.415 178.655 176.117 0.205 0.000 1.119 189 I CA 0.857 62.270 61.300 0.189 0.000 1.417 189 I CB -0.972 37.156 38.000 0.214 0.000 1.078 189 I HN 0.086 nan 8.210 nan 0.000 0.421 190 Q N 0.754 120.638 119.800 0.141 0.000 2.119 190 Q HA -0.146 4.186 4.340 -0.013 0.000 0.201 190 Q C 2.310 178.368 176.000 0.098 0.000 0.972 190 Q CA 1.894 57.765 55.803 0.114 0.000 0.847 190 Q CB 0.215 29.003 28.738 0.083 0.000 0.903 190 Q HN 0.372 nan 8.270 nan 0.000 0.433 191 S N -0.048 115.711 115.700 0.097 0.000 2.368 191 S HA -0.170 4.292 4.470 -0.013 0.000 0.225 191 S C 1.518 176.173 174.600 0.091 0.000 1.030 191 S CA 1.173 59.422 58.200 0.082 0.000 0.999 191 S CB -0.507 62.742 63.200 0.083 0.000 0.844 191 S HN 0.517 nan 8.310 nan 0.000 0.459 192 Y N 2.673 122.954 120.300 -0.032 0.000 2.200 192 Y HA -0.146 4.397 4.550 -0.011 0.000 0.290 192 Y C 1.836 177.708 175.900 -0.047 0.000 1.137 192 Y CA 1.300 59.339 58.100 -0.101 0.000 1.163 192 Y CB -0.629 37.701 38.460 -0.218 0.000 0.988 192 Y HN 0.135 nan 8.280 nan 0.000 0.518 193 D N -0.115 120.265 120.400 -0.032 0.000 2.123 193 D HA -0.224 4.409 4.640 -0.013 0.000 0.196 193 D C 2.435 178.706 176.300 -0.048 0.000 0.992 193 D CA 2.035 56.022 54.000 -0.022 0.000 0.833 193 D CB -0.586 40.285 40.800 0.119 0.000 0.954 193 D HN 0.610 nan 8.370 nan 0.000 0.455 194 Q N 0.184 119.974 119.800 -0.016 0.000 2.167 194 Q HA -0.109 4.223 4.340 -0.013 0.000 0.202 194 Q C 2.301 178.283 176.000 -0.030 0.000 0.970 194 Q CA 1.884 57.685 55.803 -0.003 0.000 0.855 194 Q CB -1.394 27.354 28.738 0.016 0.000 0.911 194 Q HN 0.323 nan 8.270 nan 0.000 0.438 195 T N 0.849 115.355 114.554 -0.081 0.000 2.821 195 T HA -0.079 4.263 4.350 -0.013 0.000 0.267 195 T C 1.955 176.580 174.700 -0.125 0.000 1.046 195 T CA 1.416 63.461 62.100 -0.092 0.000 1.139 195 T CB -0.146 68.666 68.868 -0.094 0.000 0.871 195 T HN 0.443 nan 8.240 nan 0.000 0.454 196 M N 1.229 120.680 119.600 -0.248 0.000 2.254 196 M HA 0.000 4.472 4.480 -0.013 0.000 0.265 196 M C 2.956 179.341 176.300 0.142 0.000 1.066 196 M CA 1.197 56.413 55.300 -0.139 0.000 1.123 196 M CB -1.571 30.869 32.600 -0.266 0.000 1.388 196 M HN 0.455 nan 8.290 nan 0.000 0.425 197 Q N 0.005 119.861 119.800 0.093 0.000 2.119 197 Q HA 0.105 4.437 4.340 -0.013 0.000 0.201 197 Q C 2.255 178.324 176.000 0.114 0.000 0.972 197 Q CA 1.803 57.689 55.803 0.138 0.000 0.847 197 Q CB -1.160 27.622 28.738 0.074 0.000 0.903 197 Q HN 0.635 nan 8.270 nan 0.000 0.433 198 A N -0.974 121.883 122.820 0.062 0.000 2.015 198 A HA 0.011 4.323 4.320 -0.013 0.000 0.219 198 A C 2.106 179.703 177.584 0.021 0.000 1.163 198 A CA 1.474 53.531 52.037 0.033 0.000 0.646 198 A CB -0.545 18.465 19.000 0.017 0.000 0.806 198 A HN 0.784 nan 8.150 nan 0.000 0.448 199 Y N -1.018 119.217 120.300 -0.109 0.000 2.220 199 Y HA 0.019 4.562 4.550 -0.012 0.000 0.291 199 Y C 0.663 176.405 175.900 -0.263 0.000 1.129 199 Y CA 0.621 58.584 58.100 -0.227 0.000 1.161 199 Y CB -0.223 38.020 38.460 -0.362 0.000 0.997 199 Y HN 0.309 nan 8.280 nan 0.000 0.522 211 T N 0.772 115.341 114.554 0.025 0.000 2.862 211 T HA 0.419 4.761 4.350 -0.013 0.000 0.276 211 T C 0.972 175.734 174.700 0.104 0.000 0.974 211 T CA -0.212 61.934 62.100 0.078 0.000 0.966 211 T CB 0.606 69.534 68.868 0.101 0.000 1.072 211 T HN 0.867 nan 8.240 nan 0.000 0.538 212 W N 1.103 122.399 121.300 -0.006 0.000 2.355 212 W HA -0.161 4.490 4.660 -0.015 0.000 0.309 212 W C 2.626 179.178 176.519 0.054 0.000 1.206 212 W CA 2.535 59.894 57.345 0.023 0.000 1.284 212 W CB -0.670 28.797 29.460 0.012 0.000 1.145 212 W HN 0.836 nan 8.180 nan 0.000 0.502 213 S N 0.205 115.979 115.700 0.124 0.000 2.382 213 S HA -0.257 4.205 4.470 -0.013 0.000 0.228 213 S C 2.017 176.491 174.600 -0.210 0.000 1.027 213 S CA 2.067 60.163 58.200 -0.172 0.000 0.991 213 S CB -1.334 61.974 63.200 0.181 0.000 0.823 213 S HN 0.538 nan 8.310 nan 0.000 0.469 214 Q N 0.773 120.519 119.800 -0.091 0.000 2.123 214 Q HA 0.064 4.396 4.340 -0.013 0.000 0.199 214 Q C 2.264 178.188 176.000 -0.127 0.000 0.966 214 Q CA 2.131 57.885 55.803 -0.082 0.000 0.845 214 Q CB -1.908 26.812 28.738 -0.031 0.000 0.907 214 Q HN 1.025 nan 8.270 nan 0.000 0.439 215 E N 0.414 120.517 120.200 -0.161 0.000 2.028 215 E HA -0.024 4.318 4.350 -0.013 0.000 0.191 215 E C 2.486 178.952 176.600 -0.225 0.000 0.988 215 E CA 2.264 58.565 56.400 -0.164 0.000 0.799 215 E CB -1.234 28.384 29.700 -0.136 0.000 0.755 215 E HN 1.120 nan 8.360 nan 0.000 0.447 216 V N 0.061 119.732 119.914 -0.406 0.000 2.343 216 V HA -0.212 3.900 4.120 -0.013 0.000 0.247 216 V C 2.780 178.713 176.094 -0.268 0.000 1.051 216 V CA 2.666 64.726 62.300 -0.400 0.000 1.036 216 V CB -1.374 30.030 31.823 -0.697 0.000 0.654 216 V HN 0.639 nan 8.190 nan 0.000 0.451 217 T N -1.684 112.713 114.554 -0.262 0.000 2.951 217 T HA 0.093 4.435 4.350 -0.013 0.000 0.268 217 T C 2.015 176.653 174.700 -0.104 0.000 1.073 217 T CA 1.229 63.236 62.100 -0.155 0.000 1.134 217 T CB -0.760 68.034 68.868 -0.125 0.000 0.884 217 T HN 0.664 nan 8.240 nan 0.000 0.479 218 G N 1.587 110.324 108.800 -0.106 0.000 2.408 218 G HA2 -0.164 3.788 3.960 -0.013 0.000 0.217 218 G HA3 -0.164 3.788 3.960 -0.013 0.000 0.217 218 G C 1.539 176.403 174.900 -0.059 0.000 1.150 218 G CA 0.852 45.910 45.100 -0.070 0.000 0.776 218 G HN 0.594 nan 8.290 nan 0.000 0.542 219 K N 0.125 120.483 120.400 -0.071 0.000 2.057 219 K HA 0.104 4.416 4.320 -0.013 0.000 0.206 219 K C 2.335 178.910 176.600 -0.041 0.000 1.050 219 K CA 0.669 56.926 56.287 -0.050 0.000 0.935 219 K CB -0.264 32.203 32.500 -0.055 0.000 0.715 219 K HN 0.325 nan 8.250 nan 0.000 0.439 220 L N 0.546 121.737 121.223 -0.054 0.000 2.376 220 L HA -0.018 4.314 4.340 -0.013 0.000 0.219 220 L C 2.365 179.216 176.870 -0.031 0.000 1.133 220 L CA 0.570 55.385 54.840 -0.041 0.000 0.816 220 L CB -0.288 41.741 42.059 -0.050 0.000 0.933 220 L HN 0.260 nan 8.230 nan 0.000 0.449 221 A N 0.113 122.913 122.820 -0.034 0.000 2.066 221 A HA 0.151 4.463 4.320 -0.013 0.000 0.218 221 A C 1.532 179.107 177.584 -0.016 0.000 1.157 221 A CA 1.008 53.030 52.037 -0.024 0.000 0.670 221 A CB -0.549 18.435 19.000 -0.026 0.000 0.804 221 A HN 0.377 nan 8.150 nan 0.000 0.453 222 G N -0.698 108.093 108.800 -0.015 0.000 2.574 222 G HA2 0.482 4.434 3.960 -0.013 0.000 0.248 222 G HA3 0.482 4.434 3.960 -0.013 0.000 0.248 222 G C -0.587 174.311 174.900 -0.002 0.000 1.422 222 G CA -0.617 44.479 45.100 -0.006 0.000 1.051 222 G HN 0.396 nan 8.290 nan 0.000 0.560 223 E N -0.033 120.171 120.200 0.006 0.000 2.197 223 E HA 0.382 4.724 4.350 -0.013 0.000 0.281 223 E C -0.819 175.788 176.600 0.013 0.000 0.995 223 E CA -0.180 56.225 56.400 0.010 0.000 0.808 223 E CB 1.530 31.242 29.700 0.019 0.000 1.093 223 E HN 0.148 nan 8.360 nan 0.000 0.394 224 S N 3.335 119.037 115.700 0.003 0.000 2.415 224 S HA 0.153 4.615 4.470 -0.013 0.000 0.313 224 S C -0.171 174.418 174.600 -0.019 0.000 1.067 224 S CA -0.636 57.563 58.200 -0.001 0.000 1.099 224 S CB 0.234 63.429 63.200 -0.008 0.000 0.991 224 S HN 0.481 nan 8.310 nan 0.000 0.491 225 R N 1.989 122.488 120.500 -0.002 0.000 2.879 225 R HA -0.141 4.191 4.340 -0.013 0.000 0.241 225 R C -1.871 174.304 176.300 -0.208 0.000 0.845 225 R CA 0.192 56.239 56.100 -0.088 0.000 0.599 225 R CB -1.185 29.005 30.300 -0.184 0.000 1.213 225 R HN 0.521 nan 8.270 nan 0.000 0.510 226 P HA -0.198 nan 4.420 nan 0.000 0.226 226 P C 0.799 178.101 177.300 0.002 0.000 1.146 226 P CA 1.429 64.526 63.100 -0.006 0.000 0.773 226 P CB -0.103 31.627 31.700 0.049 0.000 0.772 227 H N -1.859 117.230 119.070 0.032 0.000 2.548 227 H HA 0.128 4.677 4.556 -0.011 0.000 0.265 227 H C 1.703 177.082 175.328 0.085 0.000 0.969 227 H CA -0.236 55.838 56.048 0.044 0.000 1.155 227 H CB -0.435 29.340 29.762 0.021 0.000 1.394 227 H HN 0.018 nan 8.280 nan 0.000 0.570 228 I N 1.190 121.575 120.570 -0.308 0.000 2.179 228 I HA -0.232 3.930 4.170 -0.013 0.000 0.242 228 I C 2.519 178.676 176.117 0.068 0.000 1.088 228 I CA 0.651 61.899 61.300 -0.087 0.000 1.357 228 I CB -0.868 37.054 38.000 -0.131 0.000 1.051 228 I HN 0.265 nan 8.210 nan 0.000 0.409 229 L N 1.753 122.987 121.223 0.018 0.000 2.017 229 L HA -0.080 4.253 4.340 -0.013 0.000 0.208 229 L C -0.541 176.345 176.870 0.027 0.000 1.073 229 L CA 2.243 57.094 54.840 0.018 0.000 0.745 229 L CB -1.928 40.132 42.059 0.001 0.000 0.894 229 L HN 0.060 nan 8.230 nan 0.000 0.432 230 P HA -0.223 nan 4.420 nan 0.000 0.216 230 P C 1.224 178.574 177.300 0.082 0.000 1.150 230 P CA 1.437 64.573 63.100 0.060 0.000 0.837 230 P CB -0.274 31.477 31.700 0.084 0.000 0.786 231 Y N 0.475 120.792 120.300 0.028 0.000 2.145 231 Y HA -0.176 4.366 4.550 -0.013 0.000 0.286 231 Y C 1.968 177.879 175.900 0.018 0.000 1.145 231 Y CA 1.426 59.546 58.100 0.034 0.000 1.148 231 Y CB -1.229 37.268 38.460 0.062 0.000 0.981 231 Y HN -0.207 nan 8.280 nan 0.000 0.507 232 L N 0.413 121.471 121.223 -0.275 0.000 2.042 232 L HA -0.285 4.048 4.340 -0.013 0.000 0.210 232 L C 2.140 178.866 176.870 -0.241 0.000 1.076 232 L CA 2.076 56.715 54.840 -0.335 0.000 0.749 232 L CB -0.773 41.215 42.059 -0.119 0.000 0.893 232 L HN 0.357 nan 8.230 nan 0.000 0.432 233 N N -0.455 118.162 118.700 -0.138 0.000 2.166 233 N HA -0.190 4.542 4.740 -0.013 0.000 0.186 233 N C 1.960 177.406 175.510 -0.107 0.000 1.019 233 N CA 1.368 54.356 53.050 -0.104 0.000 0.856 233 N CB -0.103 38.347 38.487 -0.061 0.000 0.993 233 N HN 0.353 nan 8.380 nan 0.000 0.426 234 S N 0.617 116.253 115.700 -0.106 0.000 2.442 234 S HA -0.011 4.451 4.470 -0.013 0.000 0.236 234 S C 1.417 175.954 174.600 -0.105 0.000 1.007 234 S CA 0.849 59.004 58.200 -0.075 0.000 0.965 234 S CB 0.084 63.273 63.200 -0.018 0.000 0.773 234 S HN 0.106 nan 8.310 nan 0.000 0.504 235 K N 0.868 121.155 120.400 -0.188 0.000 2.387 235 K HA 0.319 4.631 4.320 -0.013 0.000 0.198 235 K C 1.229 177.762 176.600 -0.112 0.000 1.022 235 K CA 0.482 56.672 56.287 -0.161 0.000 1.128 235 K CB -0.253 32.092 32.500 -0.257 0.000 0.853 235 K HN 0.578 nan 8.250 nan 0.000 0.523 236 G N 1.448 110.181 108.800 -0.112 0.000 2.137 236 G HA2 -0.242 3.710 3.960 -0.013 0.000 0.237 236 G HA3 -0.242 3.710 3.960 -0.013 0.000 0.237 236 G C -0.146 174.685 174.900 -0.115 0.000 1.002 236 G CA 0.025 45.065 45.100 -0.100 0.000 0.702 236 G HN 0.223 nan 8.290 nan 0.000 0.515 237 L N -1.198 119.950 121.223 -0.124 0.000 2.333 237 L HA 0.722 5.054 4.340 -0.013 0.000 0.269 237 L C 1.384 178.189 176.870 -0.107 0.000 1.010 237 L CA -0.633 54.138 54.840 -0.114 0.000 0.818 237 L CB 1.886 43.895 42.059 -0.085 0.000 1.306 237 L HN 1.198 nan 8.230 nan 0.000 0.430 238 A N 1.286 124.051 122.820 -0.093 0.000 2.687 238 A HA -0.219 4.093 4.320 -0.013 0.000 0.299 238 A C 1.091 178.624 177.584 -0.085 0.000 1.497 238 A CA 1.407 53.403 52.037 -0.069 0.000 0.751 238 A CB -1.601 17.376 19.000 -0.038 0.000 1.048 238 A HN 0.881 nan 8.150 nan 0.000 0.464 239 K N -0.884 119.439 120.400 -0.128 0.000 2.356 239 K HA 0.086 4.398 4.320 -0.013 0.000 0.195 239 K C 0.960 177.479 176.600 -0.135 0.000 1.037 239 K CA 1.184 57.393 56.287 -0.130 0.000 1.014 239 K CB 0.242 32.649 32.500 -0.154 0.000 0.815 239 K HN 0.949 nan 8.250 nan 0.000 0.507 240 R N 0.000 120.403 120.500 -0.161 0.000 2.786 240 R HA 0.000 4.332 4.340 -0.013 0.000 0.208 240 R CA 0.000 56.026 56.100 -0.123 0.000 0.921 240 R CB 0.000 30.171 30.300 -0.215 0.000 0.687 240 R HN 0.000 nan 8.270 nan 0.000 0.535