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 2ojp_1_B DATA FIRST_RESID 1 DATA SEQUENCE MFTGSIVAIV TPMDEKGNVX RASLKKLIDY HVASGTSAIV SVGTTGESAT DATA SEQUENCE LNHDEHADVV MMTLDLADGR IPVIAGTGAN ATAEAISLTQ RFNDSGIVGC DATA SEQUENCE LTVTPYYNRP SQEGLYQHFK AIAEHTDLPQ ILYNVPSRTG CDLLPETVGR DATA SEQUENCE LAKVKNIIGI XEATGNLTRV NQIKELVSDD FVLLSGDDAS ALDFMQYGGH DATA SEQUENCE GVISVTANVA ARDMAQMCKL AAEGHFAEAR VINERLMPLH NKLFVEPNPI DATA SEQUENCE PVKWACKELG LVATDTLRLP MTPITDSGRE TVRAALKHAG LL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.121 176.300 -0.298 0.000 1.140 1 M CA 0.000 55.117 55.300 -0.305 0.000 0.988 1 M CB 0.000 32.322 32.600 -0.464 0.000 1.302 2 F N 3.641 123.538 119.950 -0.088 0.000 2.471 2 F HA 0.420 4.947 4.527 -0.000 0.000 0.365 2 F C 1.009 176.781 175.800 -0.047 0.000 1.095 2 F CA 0.830 58.788 58.000 -0.070 0.000 1.174 2 F CB 0.754 39.703 39.000 -0.085 0.000 1.105 2 F HN 0.218 nan 8.300 nan 0.000 0.535 3 T N 0.211 114.853 114.554 0.147 0.000 2.778 3 T HA 0.850 5.200 4.350 -0.000 0.000 0.293 3 T C 0.108 174.864 174.700 0.095 0.000 1.144 3 T CA -0.397 61.774 62.100 0.118 0.000 1.010 3 T CB 1.328 70.246 68.868 0.082 0.000 1.325 3 T HN 1.151 nan 8.240 nan 0.000 0.515 4 G N 0.787 109.640 108.800 0.088 0.000 2.553 4 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.242 4 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.242 4 G C 0.021 174.950 174.900 0.048 0.000 1.277 4 G CA -0.023 45.113 45.100 0.060 0.000 0.910 4 G HN 1.749 nan 8.290 nan 0.000 0.576 5 S N 0.021 115.741 115.700 0.034 0.000 2.411 5 S HA 0.637 5.107 4.470 -0.000 0.000 0.294 5 S C 0.182 174.782 174.600 0.001 0.000 1.115 5 S CA -0.561 57.654 58.200 0.024 0.000 1.071 5 S CB -0.349 62.873 63.200 0.036 0.000 0.967 5 S HN 0.635 nan 8.310 nan 0.000 0.488 6 I N 5.053 125.607 120.570 -0.027 0.000 2.362 6 I HA 0.361 4.531 4.170 -0.000 0.000 0.289 6 I C -0.056 176.000 176.117 -0.101 0.000 0.994 6 I CA -0.832 60.425 61.300 -0.072 0.000 1.158 6 I CB 1.873 39.817 38.000 -0.093 0.000 1.315 6 I HN 0.315 nan 8.210 nan 0.000 0.451 7 V N 6.908 126.728 119.914 -0.158 0.000 2.461 7 V HA 0.513 4.633 4.120 -0.000 0.000 0.275 7 V C 0.595 176.590 176.094 -0.164 0.000 1.047 7 V CA -0.346 61.851 62.300 -0.171 0.000 0.955 7 V CB 1.353 32.961 31.823 -0.357 0.000 0.988 7 V HN 0.831 nan 8.190 nan 0.000 0.471 8 A N 7.995 130.750 122.820 -0.109 0.000 2.671 8 A HA 0.409 4.728 4.320 -0.000 0.000 0.306 8 A C 0.045 177.586 177.584 -0.071 0.000 1.473 8 A CA -0.184 51.792 52.037 -0.103 0.000 1.155 8 A CB -0.445 18.504 19.000 -0.085 0.000 1.123 8 A HN 0.926 nan 8.150 nan 0.000 0.545 9 I N 3.628 124.143 120.570 -0.091 0.000 2.575 9 I HA 0.214 4.384 4.170 -0.000 0.000 0.285 9 I C 0.683 176.781 176.117 -0.032 0.000 1.085 9 I CA -0.376 60.892 61.300 -0.052 0.000 1.403 9 I CB 1.249 39.207 38.000 -0.069 0.000 1.409 9 I HN 0.567 nan 8.210 nan 0.000 0.557 10 V N 3.619 123.529 119.914 -0.006 0.000 2.999 10 V HA 0.162 4.282 4.120 -0.000 0.000 0.307 10 V C 0.257 176.338 176.094 -0.022 0.000 1.084 10 V CA -0.282 62.008 62.300 -0.017 0.000 1.155 10 V CB 0.664 32.480 31.823 -0.012 0.000 0.975 10 V HN 0.773 nan 8.190 nan 0.000 0.490 11 T N 6.132 120.667 114.554 -0.032 0.000 2.891 11 T HA 0.379 4.729 4.350 -0.000 0.000 0.315 11 T C -2.381 172.306 174.700 -0.022 0.000 1.054 11 T CA -0.693 61.388 62.100 -0.031 0.000 0.958 11 T CB 0.554 69.396 68.868 -0.043 0.000 1.008 11 T HN 0.806 nan 8.240 nan 0.000 0.521 12 P HA 0.284 nan 4.420 nan 0.000 0.271 12 P C -0.659 176.631 177.300 -0.016 0.000 1.216 12 P CA -0.277 62.811 63.100 -0.020 0.000 0.771 12 P CB 0.673 32.360 31.700 -0.021 0.000 0.864 13 M N 1.887 121.477 119.600 -0.017 0.000 2.591 13 M HA 0.280 4.759 4.480 -0.000 0.000 0.306 13 M C 0.318 176.610 176.300 -0.013 0.000 1.190 13 M CA -0.794 54.499 55.300 -0.012 0.000 0.889 13 M CB 1.878 34.471 32.600 -0.011 0.000 1.728 13 M HN 0.320 nan 8.290 nan 0.000 0.458 14 D N 0.165 120.559 120.400 -0.009 0.000 2.433 14 D HA 0.042 4.682 4.640 -0.000 0.000 0.255 14 D C 0.783 177.079 176.300 -0.007 0.000 1.226 14 D CA -0.341 53.654 54.000 -0.009 0.000 1.015 14 D CB 0.281 41.077 40.800 -0.007 0.000 1.091 14 D HN 0.780 nan 8.370 nan 0.000 0.527 15 E N -0.965 119.232 120.200 -0.006 0.000 2.219 15 E HA -0.246 4.104 4.350 -0.000 0.000 0.198 15 E C 1.202 177.801 176.600 -0.001 0.000 0.998 15 E CA 0.952 57.350 56.400 -0.003 0.000 0.818 15 E CB -0.362 29.337 29.700 -0.002 0.000 0.741 15 E HN 0.193 nan 8.360 nan 0.000 0.477 16 K N -0.197 120.202 120.400 -0.002 0.000 2.444 16 K HA 0.203 4.523 4.320 -0.000 0.000 0.193 16 K C 1.242 177.841 176.600 -0.002 0.000 1.024 16 K CA 0.536 56.822 56.287 -0.001 0.000 1.077 16 K CB 0.158 32.657 32.500 -0.000 0.000 0.833 16 K HN 0.589 nan 8.250 nan 0.000 0.517 17 G N 1.458 110.257 108.800 -0.003 0.000 2.136 17 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.242 17 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.242 17 G C -0.224 174.674 174.900 -0.003 0.000 0.989 17 G CA -0.031 45.067 45.100 -0.004 0.000 0.682 17 G HN 0.435 nan 8.290 nan 0.000 0.522 18 N N -0.163 118.536 118.700 -0.001 0.000 2.509 18 N HA 0.537 5.276 4.740 -0.000 0.000 0.287 18 N C 1.049 176.559 175.510 0.000 0.000 1.121 18 N CA -0.275 52.776 53.050 0.001 0.000 0.977 18 N CB 1.845 40.334 38.487 0.004 0.000 1.167 18 N HN 0.075 nan 8.380 nan 0.000 0.476 22 A N 0.977 123.796 122.820 -0.001 0.000 1.908 22 A HA -0.114 4.205 4.320 -0.000 0.000 0.218 22 A C 1.911 179.489 177.584 -0.009 0.000 1.181 22 A CA 2.256 54.290 52.037 -0.005 0.000 0.627 22 A CB -0.555 18.440 19.000 -0.010 0.000 0.818 22 A HN 0.372 nan 8.150 nan 0.000 0.445 23 S N -0.765 114.926 115.700 -0.015 0.000 2.371 23 S HA -0.077 4.393 4.470 -0.000 0.000 0.224 23 S C 1.835 176.429 174.600 -0.010 0.000 1.029 23 S CA 1.164 59.350 58.200 -0.024 0.000 0.978 23 S CB -0.383 62.797 63.200 -0.033 0.000 0.833 23 S HN 0.478 nan 8.310 nan 0.000 0.466 24 L N 2.522 123.745 121.223 0.001 0.000 2.042 24 L HA -0.077 4.262 4.340 -0.000 0.000 0.210 24 L C 2.158 179.046 176.870 0.030 0.000 1.076 24 L CA 1.897 56.747 54.840 0.016 0.000 0.749 24 L CB -0.626 41.441 42.059 0.013 0.000 0.893 24 L HN 0.193 nan 8.230 nan 0.000 0.432 25 K N -0.330 120.083 120.400 0.022 0.000 2.032 25 K HA -0.285 4.034 4.320 -0.000 0.000 0.209 25 K C 2.351 178.971 176.600 0.033 0.000 1.048 25 K CA 2.021 58.324 56.287 0.027 0.000 0.927 25 K CB -0.255 32.255 32.500 0.017 0.000 0.712 25 K HN 0.323 nan 8.250 nan 0.000 0.441 26 K N 0.668 121.077 120.400 0.016 0.000 2.032 26 K HA -0.144 4.175 4.320 -0.000 0.000 0.209 26 K C 2.181 178.803 176.600 0.038 0.000 1.048 26 K CA 1.590 57.883 56.287 0.010 0.000 0.927 26 K CB -0.130 32.352 32.500 -0.029 0.000 0.712 26 K HN 0.182 nan 8.250 nan 0.000 0.441 27 L N 0.640 121.889 121.223 0.042 0.000 2.012 27 L HA -0.221 4.118 4.340 -0.000 0.000 0.210 27 L C 2.446 179.464 176.870 0.246 0.000 1.073 27 L CA 1.332 56.243 54.840 0.117 0.000 0.748 27 L CB -0.428 41.706 42.059 0.125 0.000 0.891 27 L HN 0.258 nan 8.230 nan 0.000 0.431 28 I N -0.310 120.368 120.570 0.179 0.000 2.226 28 I HA -0.290 3.880 4.170 -0.000 0.000 0.245 28 I C 2.133 178.331 176.117 0.135 0.000 1.100 28 I CA 1.146 62.549 61.300 0.171 0.000 1.374 28 I CB -0.381 37.675 38.000 0.094 0.000 1.057 28 I HN 0.262 nan 8.210 nan 0.000 0.413 29 D N 0.094 120.553 120.400 0.098 0.000 2.117 29 D HA -0.246 4.393 4.640 -0.000 0.000 0.197 29 D C 1.909 178.253 176.300 0.073 0.000 0.987 29 D CA 1.355 55.397 54.000 0.070 0.000 0.829 29 D CB -0.389 40.442 40.800 0.053 0.000 0.961 29 D HN 0.388 nan 8.370 nan 0.000 0.460 30 Y N 1.334 121.595 120.300 -0.066 0.000 2.128 30 Y HA -0.260 4.290 4.550 -0.000 0.000 0.284 30 Y C 2.363 178.150 175.900 -0.189 0.000 1.154 30 Y CA 1.792 59.801 58.100 -0.152 0.000 1.149 30 Y CB -0.369 37.950 38.460 -0.235 0.000 0.976 30 Y HN 0.124 nan 8.280 nan 0.000 0.505 31 H N -1.022 117.997 119.070 -0.086 0.000 2.389 31 H HA -0.101 4.455 4.556 -0.000 0.000 0.299 31 H C 2.509 177.756 175.328 -0.135 0.000 1.081 31 H CA 1.683 57.621 56.048 -0.183 0.000 1.345 31 H CB -0.458 29.279 29.762 -0.042 0.000 1.393 31 H HN 0.349 nan 8.280 nan 0.000 0.520 32 V N 1.151 121.084 119.914 0.031 0.000 2.295 32 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 32 V C 2.810 178.880 176.094 -0.041 0.000 1.049 32 V CA 1.642 63.944 62.300 0.004 0.000 1.024 32 V CB -0.992 30.842 31.823 0.018 0.000 0.648 32 V HN 0.448 nan 8.190 nan 0.000 0.447 33 A N -0.672 122.106 122.820 -0.070 0.000 1.969 33 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 33 A C 2.364 179.873 177.584 -0.125 0.000 1.169 33 A CA 2.017 54.006 52.037 -0.080 0.000 0.635 33 A CB -0.436 18.529 19.000 -0.059 0.000 0.810 33 A HN 0.513 nan 8.150 nan 0.000 0.445 34 S N -1.858 113.706 115.700 -0.226 0.000 2.528 34 S HA 0.346 4.816 4.470 -0.000 0.000 0.219 34 S C 1.380 175.901 174.600 -0.131 0.000 0.985 34 S CA 0.777 58.825 58.200 -0.254 0.000 0.914 34 S CB 0.161 63.034 63.200 -0.544 0.000 0.776 34 S HN 1.612 nan 8.310 nan 0.000 0.526 35 G N 1.956 110.707 108.800 -0.083 0.000 2.132 35 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.234 35 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.234 35 G C 0.098 174.989 174.900 -0.014 0.000 0.989 35 G CA 0.132 45.209 45.100 -0.037 0.000 0.676 35 G HN 0.437 nan 8.290 nan 0.000 0.522 36 T N 1.188 115.742 114.554 0.001 0.000 2.934 36 T HA 0.365 4.715 4.350 -0.000 0.000 0.306 36 T C 1.873 176.580 174.700 0.011 0.000 1.042 36 T CA 0.846 62.965 62.100 0.031 0.000 1.145 36 T CB 1.334 70.268 68.868 0.110 0.000 0.982 36 T HN 1.066 nan 8.240 nan 0.000 0.544 37 S N 1.700 117.406 115.700 0.009 0.000 2.414 37 S HA 0.377 4.847 4.470 -0.000 0.000 0.227 37 S C 0.723 175.339 174.600 0.027 0.000 1.022 37 S CA 0.239 58.451 58.200 0.021 0.000 0.958 37 S CB 0.066 63.288 63.200 0.037 0.000 0.797 37 S HN 1.043 nan 8.310 nan 0.000 0.493 38 A N -0.214 122.605 122.820 -0.002 0.000 2.586 38 A HA 0.698 5.017 4.320 -0.000 0.000 0.291 38 A C -1.662 175.864 177.584 -0.097 0.000 1.062 38 A CA -0.905 51.123 52.037 -0.015 0.000 0.666 38 A CB 0.544 19.572 19.000 0.047 0.000 1.281 38 A HN 0.344 nan 8.150 nan 0.000 0.421 39 I N 0.974 121.479 120.570 -0.109 0.000 2.406 39 I HA 0.414 4.583 4.170 -0.000 0.000 0.290 39 I C -0.661 175.364 176.117 -0.153 0.000 0.999 39 I CA -0.980 60.223 61.300 -0.162 0.000 1.124 39 I CB 1.932 39.848 38.000 -0.140 0.000 1.289 39 I HN 0.327 nan 8.210 nan 0.000 0.441 40 V N 5.303 125.113 119.914 -0.173 0.000 2.385 40 V HA 0.158 4.278 4.120 -0.000 0.000 0.269 40 V C 0.386 176.393 176.094 -0.144 0.000 1.043 40 V CA -0.079 62.117 62.300 -0.172 0.000 0.906 40 V CB 1.330 33.036 31.823 -0.195 0.000 0.995 40 V HN 0.769 nan 8.190 nan 0.000 0.467 41 S N 4.234 119.850 115.700 -0.140 0.000 2.438 41 S HA 0.444 4.914 4.470 -0.000 0.000 0.293 41 S C 0.164 174.680 174.600 -0.141 0.000 1.141 41 S CA -0.383 57.739 58.200 -0.129 0.000 1.080 41 S CB 0.741 63.863 63.200 -0.129 0.000 0.978 41 S HN 1.072 nan 8.310 nan 0.000 0.479 42 V N 3.868 123.688 119.914 -0.156 0.000 6.110 42 V HA -0.190 3.930 4.120 -0.000 0.000 0.322 42 V C 1.072 177.075 176.094 -0.152 0.000 0.518 42 V CA 0.965 63.121 62.300 -0.240 0.000 0.655 42 V CB -2.613 28.872 31.823 -0.562 0.000 0.283 42 V HN 0.979 nan 8.190 nan 0.000 0.990 43 G N 0.370 109.117 108.800 -0.088 0.000 2.509 43 G HA2 0.427 4.387 3.960 -0.000 0.000 0.269 43 G HA3 0.427 4.387 3.960 -0.000 0.000 0.269 43 G C 1.012 175.915 174.900 0.005 0.000 1.416 43 G CA 0.437 45.523 45.100 -0.023 0.000 1.052 43 G HN 0.435 nan 8.290 nan 0.000 0.542 44 T N 0.131 114.730 114.554 0.076 0.000 2.720 44 T HA -0.146 4.204 4.350 -0.000 0.000 0.268 44 T C 2.541 177.253 174.700 0.021 0.000 1.037 44 T CA 2.055 64.197 62.100 0.070 0.000 1.144 44 T CB -0.479 68.480 68.868 0.152 0.000 0.864 44 T HN 0.418 nan 8.240 nan 0.000 0.444 45 T N 0.980 115.543 114.554 0.016 0.000 2.962 45 T HA 0.042 4.392 4.350 -0.000 0.000 0.270 45 T C 1.974 176.656 174.700 -0.029 0.000 1.088 45 T CA 1.031 63.129 62.100 -0.003 0.000 1.127 45 T CB -0.395 68.472 68.868 -0.001 0.000 0.883 45 T HN 0.518 nan 8.240 nan 0.000 0.493 46 G N 0.594 109.366 108.800 -0.046 0.000 3.181 46 G HA2 0.178 4.137 3.960 -0.000 0.000 0.219 46 G HA3 0.178 4.137 3.960 -0.000 0.000 0.219 46 G C 0.084 174.937 174.900 -0.078 0.000 1.182 46 G CA -0.312 44.747 45.100 -0.069 0.000 0.791 46 G HN 0.546 nan 8.290 nan 0.000 0.537 47 E N -0.129 120.035 120.200 -0.060 0.000 2.320 47 E HA -0.270 4.080 4.350 -0.000 0.000 0.234 47 E C 1.836 178.387 176.600 -0.082 0.000 1.183 47 E CA 0.226 56.589 56.400 -0.061 0.000 0.713 47 E CB -1.480 28.190 29.700 -0.050 0.000 1.226 47 E HN 0.627 nan 8.360 nan 0.000 0.382 48 S N -0.849 114.795 115.700 -0.093 0.000 2.387 48 S HA -0.264 4.206 4.470 -0.000 0.000 0.230 48 S C 2.141 176.717 174.600 -0.040 0.000 1.035 48 S CA 1.092 59.233 58.200 -0.100 0.000 1.014 48 S CB -0.132 63.048 63.200 -0.033 0.000 0.836 48 S HN 0.551 nan 8.310 nan 0.000 0.466 49 A N 1.913 124.697 122.820 -0.060 0.000 1.940 49 A HA -0.041 4.279 4.320 -0.000 0.000 0.219 49 A C 2.441 179.994 177.584 -0.051 0.000 1.176 49 A CA 2.062 54.057 52.037 -0.070 0.000 0.631 49 A CB -1.238 17.696 19.000 -0.109 0.000 0.814 49 A HN 0.847 nan 8.150 nan 0.000 0.446 50 T N -3.168 111.357 114.554 -0.048 0.000 3.054 50 T HA 0.537 4.887 4.350 -0.000 0.000 0.255 50 T C 0.216 174.898 174.700 -0.030 0.000 1.035 50 T CA -0.344 61.732 62.100 -0.039 0.000 0.941 50 T CB -0.276 68.570 68.868 -0.037 0.000 1.026 50 T HN 0.158 nan 8.240 nan 0.000 0.533 51 L N 3.565 124.771 121.223 -0.029 0.000 2.289 51 L HA 0.479 4.819 4.340 -0.000 0.000 0.285 51 L C 0.415 177.284 176.870 -0.002 0.000 1.049 51 L CA -1.117 53.718 54.840 -0.007 0.000 0.804 51 L CB 0.864 42.916 42.059 -0.011 0.000 1.195 51 L HN 0.302 nan 8.230 nan 0.000 0.428 52 N N 0.482 119.182 118.700 0.000 0.000 2.317 52 N HA -0.027 4.713 4.740 -0.000 0.000 0.245 52 N C 0.779 176.297 175.510 0.013 0.000 1.294 52 N CA 0.045 53.072 53.050 -0.038 0.000 0.924 52 N CB 0.293 38.782 38.487 0.002 0.000 1.186 52 N HN 0.454 nan 8.380 nan 0.000 0.495 53 H N -1.513 117.607 119.070 0.084 0.000 2.319 53 H HA -0.103 4.453 4.556 -0.000 0.000 0.299 53 H C 0.703 176.068 175.328 0.063 0.000 1.092 53 H CA 2.119 58.200 56.048 0.055 0.000 1.302 53 H CB 0.066 29.823 29.762 -0.008 0.000 1.373 53 H HN 0.597 nan 8.280 nan 0.000 0.497 54 D N 0.412 120.915 120.400 0.171 0.000 2.117 54 D HA -0.115 4.524 4.640 -0.000 0.000 0.198 54 D C 1.933 178.311 176.300 0.130 0.000 0.982 54 D CA 1.018 55.086 54.000 0.115 0.000 0.828 54 D CB -0.207 40.640 40.800 0.078 0.000 0.967 54 D HN 0.544 nan 8.370 nan 0.000 0.464 55 E N -0.233 120.042 120.200 0.124 0.000 2.051 55 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 55 E C 2.002 178.708 176.600 0.176 0.000 0.991 55 E CA 0.765 57.233 56.400 0.114 0.000 0.799 55 E CB -0.206 29.538 29.700 0.073 0.000 0.748 55 E HN 0.507 nan 8.360 nan 0.000 0.449 56 H N 0.187 119.316 119.070 0.099 0.000 2.319 56 H HA -0.162 4.394 4.556 0.000 0.000 0.297 56 H C 2.095 177.574 175.328 0.252 0.000 1.097 56 H CA 1.425 57.563 56.048 0.150 0.000 1.285 56 H CB 0.058 29.921 29.762 0.168 0.000 1.368 56 H HN 0.193 nan 8.280 nan 0.000 0.495 57 A N 0.302 123.395 122.820 0.454 0.000 1.902 57 A HA -0.230 4.089 4.320 -0.000 0.000 0.217 57 A C 2.147 179.924 177.584 0.323 0.000 1.181 57 A CA 1.956 54.258 52.037 0.440 0.000 0.623 57 A CB -0.653 18.427 19.000 0.133 0.000 0.818 57 A HN 0.646 nan 8.150 nan 0.000 0.443 58 D N -0.451 120.072 120.400 0.206 0.000 2.097 58 D HA -0.119 4.521 4.640 -0.000 0.000 0.195 58 D C 1.836 178.207 176.300 0.118 0.000 0.989 58 D CA 1.552 55.633 54.000 0.136 0.000 0.827 58 D CB -0.158 40.700 40.800 0.095 0.000 0.966 58 D HN 0.145 nan 8.370 nan 0.000 0.456 59 V N -0.114 119.869 119.914 0.114 0.000 2.343 59 V HA -0.215 3.905 4.120 -0.000 0.000 0.247 59 V C 2.657 178.781 176.094 0.050 0.000 1.051 59 V CA 1.330 63.666 62.300 0.060 0.000 1.036 59 V CB -0.425 31.409 31.823 0.019 0.000 0.654 59 V HN 0.142 nan 8.190 nan 0.000 0.451 60 V N -0.595 119.369 119.914 0.084 0.000 2.295 60 V HA -0.318 3.802 4.120 -0.000 0.000 0.246 60 V C 2.329 178.447 176.094 0.040 0.000 1.049 60 V CA 2.419 64.718 62.300 -0.001 0.000 1.024 60 V CB -0.539 31.186 31.823 -0.164 0.000 0.648 60 V HN 0.459 nan 8.190 nan 0.000 0.447 61 M N -1.530 118.140 119.600 0.117 0.000 2.200 61 M HA -0.135 4.345 4.480 -0.000 0.000 0.265 61 M C 2.274 178.611 176.300 0.063 0.000 1.066 61 M CA 1.779 57.140 55.300 0.102 0.000 1.127 61 M CB -0.327 32.350 32.600 0.129 0.000 1.379 61 M HN 0.273 nan 8.290 nan 0.000 0.420 62 M N -0.635 118.999 119.600 0.057 0.000 2.117 62 M HA -0.165 4.315 4.480 -0.000 0.000 0.262 62 M C 2.041 178.358 176.300 0.028 0.000 1.065 62 M CA 1.610 56.934 55.300 0.039 0.000 1.114 62 M CB -0.619 32.003 32.600 0.036 0.000 1.361 62 M HN 0.260 nan 8.290 nan 0.000 0.408 63 T N 1.247 115.812 114.554 0.020 0.000 2.746 63 T HA -0.103 4.247 4.350 -0.000 0.000 0.267 63 T C 1.814 176.520 174.700 0.009 0.000 1.039 63 T CA 1.103 63.207 62.100 0.007 0.000 1.142 63 T CB -0.336 68.523 68.868 -0.015 0.000 0.866 63 T HN 0.295 nan 8.240 nan 0.000 0.444 64 L N 0.965 122.194 121.223 0.010 0.000 1.989 64 L HA -0.156 4.184 4.340 -0.000 0.000 0.211 64 L C 2.672 179.555 176.870 0.022 0.000 1.071 64 L CA 1.512 56.361 54.840 0.016 0.000 0.749 64 L CB -0.576 41.498 42.059 0.025 0.000 0.890 64 L HN 0.222 nan 8.230 nan 0.000 0.431 65 D N 0.376 120.793 120.400 0.028 0.000 2.103 65 D HA -0.210 4.429 4.640 -0.000 0.000 0.190 65 D C 2.248 178.562 176.300 0.023 0.000 0.997 65 D CA 1.691 55.707 54.000 0.026 0.000 0.833 65 D CB -0.138 40.679 40.800 0.029 0.000 0.961 65 D HN 0.205 nan 8.370 nan 0.000 0.447 66 L N 0.122 121.359 121.223 0.023 0.000 2.093 66 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 66 L C 2.727 179.612 176.870 0.025 0.000 1.085 66 L CA 1.059 55.913 54.840 0.024 0.000 0.755 66 L CB -0.527 41.548 42.059 0.026 0.000 0.904 66 L HN 0.031 nan 8.230 nan 0.000 0.435 67 A N -0.542 122.292 122.820 0.024 0.000 1.948 67 A HA -0.301 4.019 4.320 -0.000 0.000 0.220 67 A C 1.213 178.809 177.584 0.021 0.000 1.177 67 A CA 1.603 53.654 52.037 0.023 0.000 0.636 67 A CB -0.553 18.457 19.000 0.017 0.000 0.815 67 A HN 0.564 nan 8.150 nan 0.000 0.449 68 D N -2.947 117.464 120.400 0.019 0.000 2.686 68 D HA -0.114 4.526 4.640 -0.000 0.000 0.235 68 D C 0.923 177.232 176.300 0.015 0.000 1.160 68 D CA 1.906 55.916 54.000 0.017 0.000 0.645 68 D CB -1.584 39.226 40.800 0.016 0.000 1.039 68 D HN 1.494 nan 8.370 nan 0.000 0.423 69 G N -0.327 108.482 108.800 0.015 0.000 2.189 69 G HA2 -0.440 3.519 3.960 -0.000 0.000 0.267 69 G HA3 -0.440 3.519 3.960 -0.000 0.000 0.267 69 G C 1.202 176.109 174.900 0.012 0.000 0.975 69 G CA 0.751 45.859 45.100 0.013 0.000 0.644 69 G HN 0.583 nan 8.290 nan 0.000 0.537 70 R N -0.724 119.784 120.500 0.013 0.000 2.246 70 R HA 0.512 4.852 4.340 -0.000 0.000 0.199 70 R C 1.009 177.317 176.300 0.013 0.000 0.984 70 R CA 1.037 57.144 56.100 0.012 0.000 1.015 70 R CB 0.614 30.922 30.300 0.014 0.000 0.930 70 R HN 0.562 nan 8.270 nan 0.000 0.475 71 I N 0.892 121.471 120.570 0.016 0.000 2.680 71 I HA 0.312 4.482 4.170 -0.000 0.000 0.291 71 I C -2.791 173.336 176.117 0.017 0.000 1.244 71 I CA -2.773 58.536 61.300 0.016 0.000 1.042 71 I CB 2.521 40.533 38.000 0.020 0.000 1.277 71 I HN -0.179 nan 8.210 nan 0.000 0.423 72 P HA 0.229 nan 4.420 nan 0.000 0.269 72 P C -1.283 176.030 177.300 0.023 0.000 1.209 72 P CA -0.199 62.927 63.100 0.044 0.000 0.776 72 P CB 0.836 32.593 31.700 0.094 0.000 0.876 73 V N 4.161 124.083 119.914 0.013 0.000 2.495 73 V HA 0.416 4.536 4.120 -0.000 0.000 0.298 73 V C 0.184 176.247 176.094 -0.052 0.000 1.031 73 V CA -0.500 61.779 62.300 -0.035 0.000 0.871 73 V CB 1.617 33.413 31.823 -0.046 0.000 0.988 73 V HN 0.374 nan 8.190 nan 0.000 0.432 74 I N 3.619 124.119 120.570 -0.116 0.000 2.378 74 I HA 0.680 4.850 4.170 -0.000 0.000 0.291 74 I C 0.436 176.443 176.117 -0.182 0.000 0.992 74 I CA -0.473 60.725 61.300 -0.170 0.000 1.154 74 I CB 1.831 39.655 38.000 -0.294 0.000 1.315 74 I HN 0.694 nan 8.210 nan 0.000 0.448 75 A N 4.644 127.343 122.820 -0.203 0.000 2.309 75 A HA 0.663 4.983 4.320 -0.000 0.000 0.298 75 A C 0.477 177.997 177.584 -0.106 0.000 1.165 75 A CA -0.436 51.441 52.037 -0.266 0.000 0.821 75 A CB 0.501 19.117 19.000 -0.639 0.000 1.102 75 A HN 0.847 nan 8.150 nan 0.000 0.500 76 G N 0.989 109.779 108.800 -0.017 0.000 2.343 76 G HA2 0.412 4.372 3.960 -0.000 0.000 0.254 76 G HA3 0.412 4.372 3.960 -0.000 0.000 0.254 76 G C 0.627 175.705 174.900 0.297 0.000 1.277 76 G CA 0.574 45.749 45.100 0.126 0.000 0.909 76 G HN 1.246 nan 8.290 nan 0.000 0.502 77 T N -0.282 114.429 114.554 0.262 0.000 3.209 77 T HA 0.358 4.708 4.350 -0.000 0.000 0.295 77 T C 0.987 175.845 174.700 0.264 0.000 0.977 77 T CA 0.208 62.472 62.100 0.273 0.000 0.922 77 T CB 0.440 69.450 68.868 0.237 0.000 1.152 77 T HN 0.717 nan 8.240 nan 0.000 0.527 78 G N 0.829 109.815 108.800 0.310 0.000 2.483 78 G HA2 0.606 4.566 3.960 -0.000 0.000 0.248 78 G HA3 0.606 4.566 3.960 -0.000 0.000 0.248 78 G C -0.332 174.757 174.900 0.315 0.000 1.248 78 G CA -0.068 45.230 45.100 0.331 0.000 0.838 78 G HN 0.888 nan 8.290 nan 0.000 0.566 79 A N 1.483 124.451 122.820 0.248 0.000 2.604 79 A HA 0.579 4.899 4.320 -0.000 0.000 0.295 79 A C 0.450 177.958 177.584 -0.127 0.000 1.067 79 A CA -0.507 51.614 52.037 0.140 0.000 0.683 79 A CB 1.297 20.385 19.000 0.147 0.000 1.281 79 A HN 0.763 nan 8.150 nan 0.000 0.407 80 N N 0.415 118.861 118.700 -0.425 0.000 2.398 80 N HA 0.288 5.028 4.740 -0.000 0.000 0.188 80 N C 0.194 175.533 175.510 -0.285 0.000 1.122 80 N CA 0.790 53.493 53.050 -0.579 0.000 0.866 80 N CB 0.368 38.313 38.487 -0.904 0.000 0.970 80 N HN 0.942 nan 8.380 nan 0.000 0.462 81 A N -0.284 122.469 122.820 -0.111 0.000 2.304 81 A HA 0.546 4.865 4.320 -0.000 0.000 0.314 81 A C 0.909 178.527 177.584 0.056 0.000 1.187 81 A CA -0.609 51.409 52.037 -0.033 0.000 0.810 81 A CB 0.792 19.784 19.000 -0.014 0.000 1.183 81 A HN 0.136 nan 8.150 nan 0.000 0.487 82 T N 2.088 116.697 114.554 0.092 0.000 2.759 82 T HA -0.167 4.183 4.350 -0.000 0.000 0.269 82 T C 2.230 176.883 174.700 -0.078 0.000 1.042 82 T CA 2.174 64.306 62.100 0.054 0.000 1.140 82 T CB -0.196 68.699 68.868 0.044 0.000 0.864 82 T HN 0.904 nan 8.240 nan 0.000 0.455 83 A N 1.326 124.107 122.820 -0.066 0.000 1.902 83 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 83 A C 2.235 179.761 177.584 -0.096 0.000 1.181 83 A CA 1.918 53.894 52.037 -0.101 0.000 0.623 83 A CB -0.626 18.328 19.000 -0.076 0.000 0.818 83 A HN 0.607 nan 8.150 nan 0.000 0.443 84 E N -0.283 119.889 120.200 -0.047 0.000 2.077 84 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 84 E C 2.160 178.748 176.600 -0.019 0.000 0.989 84 E CA 0.944 57.328 56.400 -0.027 0.000 0.800 84 E CB -0.241 29.493 29.700 0.056 0.000 0.746 84 E HN 0.546 nan 8.360 nan 0.000 0.452 85 A N 1.011 123.829 122.820 -0.004 0.000 1.902 85 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 85 A C 2.140 179.689 177.584 -0.059 0.000 1.181 85 A CA 1.298 53.332 52.037 -0.004 0.000 0.623 85 A CB -0.618 18.355 19.000 -0.045 0.000 0.818 85 A HN 0.314 nan 8.150 nan 0.000 0.443 86 I N -0.281 120.208 120.570 -0.135 0.000 2.179 86 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 86 I C 2.731 178.769 176.117 -0.132 0.000 1.088 86 I CA 1.552 62.748 61.300 -0.174 0.000 1.357 86 I CB -0.318 37.470 38.000 -0.353 0.000 1.051 86 I HN 0.236 nan 8.210 nan 0.000 0.409 87 S N 0.664 116.277 115.700 -0.144 0.000 2.368 87 S HA -0.172 4.298 4.470 -0.000 0.000 0.225 87 S C 1.911 176.403 174.600 -0.180 0.000 1.030 87 S CA 1.201 59.305 58.200 -0.160 0.000 0.999 87 S CB -0.391 62.693 63.200 -0.193 0.000 0.844 87 S HN 0.245 nan 8.310 nan 0.000 0.459 88 L N 1.775 122.912 121.223 -0.144 0.000 2.017 88 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 88 L C 2.391 179.193 176.870 -0.115 0.000 1.073 88 L CA 1.887 56.635 54.840 -0.154 0.000 0.745 88 L CB -1.506 40.548 42.059 -0.008 0.000 0.894 88 L HN 0.253 nan 8.230 nan 0.000 0.432 89 T N -1.026 113.535 114.554 0.012 0.000 2.684 89 T HA -0.248 4.101 4.350 -0.000 0.000 0.267 89 T C 1.813 176.534 174.700 0.035 0.000 1.036 89 T CA 1.709 63.868 62.100 0.099 0.000 1.148 89 T CB -0.211 68.707 68.868 0.083 0.000 0.863 89 T HN 0.439 nan 8.240 nan 0.000 0.436 90 Q N 0.388 120.164 119.800 -0.040 0.000 2.124 90 Q HA -0.038 4.302 4.340 -0.000 0.000 0.202 90 Q C 2.593 178.520 176.000 -0.122 0.000 0.977 90 Q CA 1.030 56.804 55.803 -0.049 0.000 0.850 90 Q CB -0.172 28.536 28.738 -0.050 0.000 0.901 90 Q HN 0.422 nan 8.270 nan 0.000 0.429 91 R N -0.371 119.958 120.500 -0.285 0.000 2.117 91 R HA -0.155 4.185 4.340 -0.000 0.000 0.243 91 R C 1.191 177.238 176.300 -0.421 0.000 1.143 91 R CA 1.268 57.087 56.100 -0.467 0.000 0.968 91 R CB -0.054 29.725 30.300 -0.869 0.000 0.863 91 R HN 0.233 nan 8.270 nan 0.000 0.444 92 F N -0.208 119.744 119.950 0.003 0.000 2.727 92 F HA 0.140 4.667 4.527 0.001 0.000 0.302 92 F C 0.563 176.376 175.800 0.022 0.000 1.097 92 F CA -0.957 57.053 58.000 0.017 0.000 1.330 92 F CB -0.534 38.481 39.000 0.025 0.000 1.084 92 F HN -0.101 nan 8.300 nan 0.000 0.578 93 N N 1.350 120.130 118.700 0.133 0.000 2.412 93 N HA -0.068 4.672 4.740 -0.000 0.000 0.258 93 N C 0.162 175.720 175.510 0.080 0.000 1.236 93 N CA 0.814 53.920 53.050 0.092 0.000 0.882 93 N CB 0.061 38.579 38.487 0.052 0.000 1.066 93 N HN 0.121 nan 8.380 nan 0.000 0.465 94 D N 0.275 120.720 120.400 0.075 0.000 3.059 94 D HA -0.226 4.414 4.640 -0.000 0.000 0.220 94 D C 0.876 177.221 176.300 0.075 0.000 1.169 94 D CA 1.337 55.374 54.000 0.061 0.000 0.902 94 D CB -1.659 39.166 40.800 0.042 0.000 1.116 94 D HN 0.617 nan 8.370 nan 0.000 0.417 95 S N -1.334 114.434 115.700 0.112 0.000 2.406 95 S HA 0.174 4.644 4.470 -0.000 0.000 0.228 95 S C 1.956 176.608 174.600 0.087 0.000 1.020 95 S CA 1.698 59.975 58.200 0.128 0.000 0.965 95 S CB 0.529 63.863 63.200 0.225 0.000 0.798 95 S HN 1.072 nan 8.310 nan 0.000 0.488 96 G N 1.435 110.278 108.800 0.073 0.000 2.255 96 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.196 96 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.196 96 G C 0.165 175.090 174.900 0.042 0.000 0.998 96 G CA -0.280 44.850 45.100 0.050 0.000 0.656 96 G HN 0.970 nan 8.290 nan 0.000 0.490 97 I N 0.299 120.893 120.570 0.040 0.000 2.892 97 I HA 0.461 4.631 4.170 -0.000 0.000 0.287 97 I C 1.794 177.944 176.117 0.056 0.000 1.205 97 I CA -0.056 61.256 61.300 0.020 0.000 1.409 97 I CB 1.049 39.029 38.000 -0.034 0.000 1.367 97 I HN 0.334 nan 8.210 nan 0.000 0.597 98 V N 1.316 121.280 119.914 0.084 0.000 3.650 98 V HA 0.640 4.760 4.120 -0.000 0.000 0.271 98 V C 0.760 176.997 176.094 0.239 0.000 1.281 98 V CA 0.659 63.049 62.300 0.150 0.000 1.120 98 V CB -0.923 31.016 31.823 0.192 0.000 0.856 98 V HN 1.203 nan 8.190 nan 0.000 0.443 99 G N -1.678 107.206 108.800 0.141 0.000 2.451 99 G HA2 0.472 4.432 3.960 -0.000 0.000 0.292 99 G HA3 0.472 4.432 3.960 -0.000 0.000 0.292 99 G C -1.697 173.184 174.900 -0.032 0.000 1.427 99 G CA 0.012 45.168 45.100 0.092 0.000 0.792 99 G HN 0.241 nan 8.290 nan 0.000 0.498 100 C N -0.425 118.852 119.300 -0.038 0.000 2.563 100 C HA 0.763 5.223 4.460 -0.000 0.000 0.314 100 C C -0.343 174.612 174.990 -0.058 0.000 1.199 100 C CA -0.615 58.388 59.018 -0.026 0.000 1.564 100 C CB 0.870 28.646 27.740 0.060 0.000 2.173 100 C HN 0.805 nan 8.230 nan 0.000 0.485 101 L N 2.754 123.951 121.223 -0.043 0.000 2.280 101 L HA 0.651 4.991 4.340 -0.000 0.000 0.287 101 L C 0.082 177.036 176.870 0.141 0.000 1.023 101 L CA 0.580 55.408 54.840 -0.020 0.000 0.819 101 L CB 1.242 43.231 42.059 -0.117 0.000 1.212 101 L HN 0.787 nan 8.230 nan 0.000 0.420 102 T N 4.901 119.586 114.554 0.217 0.000 2.864 102 T HA 0.404 4.754 4.350 -0.000 0.000 0.299 102 T C -0.833 174.171 174.700 0.507 0.000 1.011 102 T CA -0.354 61.966 62.100 0.366 0.000 0.975 102 T CB 0.744 69.844 68.868 0.388 0.000 0.962 102 T HN 0.462 nan 8.240 nan 0.000 0.448 103 V N 6.229 126.427 119.914 0.474 0.000 2.881 103 V HA 0.519 4.639 4.120 -0.000 0.000 0.303 103 V C 0.984 177.319 176.094 0.402 0.000 1.070 103 V CA -0.100 62.397 62.300 0.328 0.000 1.074 103 V CB 1.263 33.135 31.823 0.082 0.000 1.012 103 V HN 1.105 nan 8.190 nan 0.000 0.482 104 T N 5.478 120.237 114.554 0.343 0.000 2.934 104 T HA 0.162 4.512 4.350 -0.000 0.000 0.306 104 T C -2.484 172.199 174.700 -0.028 0.000 1.042 104 T CA -0.882 61.346 62.100 0.214 0.000 1.145 104 T CB 0.389 69.350 68.868 0.155 0.000 0.982 104 T HN 0.629 nan 8.240 nan 0.000 0.544 105 P HA 0.036 nan 4.420 nan 0.000 0.261 105 P C -0.623 176.515 177.300 -0.270 0.000 1.165 105 P CA 0.238 63.048 63.100 -0.482 0.000 0.759 105 P CB -0.161 31.171 31.700 -0.613 0.000 0.772 106 Y N 2.220 122.497 120.300 -0.038 0.000 2.453 106 Y HA 0.453 5.003 4.550 -0.000 0.000 0.326 106 Y C 1.408 177.376 175.900 0.112 0.000 1.186 106 Y CA -1.190 56.922 58.100 0.021 0.000 1.200 106 Y CB 0.203 38.678 38.460 0.026 0.000 1.247 106 Y HN 0.496 nan 8.280 nan 0.000 0.482 107 Y N 1.200 121.571 120.300 0.119 0.000 2.786 107 Y HA -0.441 4.108 4.550 -0.001 0.000 0.482 107 Y C 1.259 177.156 175.900 -0.006 0.000 1.231 107 Y CA 2.287 60.428 58.100 0.069 0.000 2.675 107 Y CB -1.642 36.893 38.460 0.124 0.000 0.944 107 Y HN 0.830 nan 8.280 nan 0.000 0.535 108 N N 1.553 120.158 118.700 -0.157 0.000 2.412 108 N HA 0.048 4.788 4.740 -0.000 0.000 0.184 108 N C 0.035 175.435 175.510 -0.183 0.000 1.101 108 N CA 0.979 53.878 53.050 -0.252 0.000 0.881 108 N CB -0.375 37.998 38.487 -0.189 0.000 0.969 108 N HN 0.594 nan 8.380 nan 0.000 0.459 109 R N 0.304 120.725 120.500 -0.132 0.000 3.127 109 R HA -0.096 4.244 4.340 -0.000 0.000 0.247 109 R C -2.032 174.214 176.300 -0.090 0.000 0.896 109 R CA 0.325 56.370 56.100 -0.093 0.000 0.624 109 R CB -1.895 28.356 30.300 -0.081 0.000 1.154 109 R HN 0.472 nan 8.270 nan 0.000 0.474 110 P HA 0.021 nan 4.420 nan 0.000 0.272 110 P C 0.316 177.590 177.300 -0.043 0.000 1.240 110 P CA -0.230 62.819 63.100 -0.086 0.000 0.791 110 P CB 0.651 32.273 31.700 -0.129 0.000 0.978 111 S N 0.677 116.363 115.700 -0.023 0.000 2.617 111 S HA 0.032 4.501 4.470 -0.000 0.000 0.259 111 S C 1.356 175.974 174.600 0.030 0.000 1.301 111 S CA -0.491 57.710 58.200 0.002 0.000 0.984 111 S CB 0.321 63.524 63.200 0.005 0.000 0.954 111 S HN 0.391 nan 8.310 nan 0.000 0.572 112 Q N 0.438 120.264 119.800 0.044 0.000 2.135 112 Q HA -0.156 4.184 4.340 -0.000 0.000 0.204 112 Q C 2.008 178.078 176.000 0.115 0.000 0.981 112 Q CA 1.971 57.822 55.803 0.080 0.000 0.856 112 Q CB -0.679 28.095 28.738 0.060 0.000 0.902 112 Q HN 0.937 nan 8.270 nan 0.000 0.425 113 E N 0.204 120.455 120.200 0.084 0.000 2.106 113 E HA -0.099 4.251 4.350 -0.000 0.000 0.192 113 E C 1.957 178.647 176.600 0.150 0.000 0.984 113 E CA 1.427 57.896 56.400 0.116 0.000 0.806 113 E CB -0.668 29.069 29.700 0.061 0.000 0.750 113 E HN 0.358 nan 8.360 nan 0.000 0.458 114 G N 0.868 109.716 108.800 0.081 0.000 2.446 114 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 114 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 114 G C 1.606 176.537 174.900 0.052 0.000 1.168 114 G CA 0.999 46.125 45.100 0.044 0.000 0.771 114 G HN 0.310 nan 8.290 nan 0.000 0.551 115 L N -0.985 120.282 121.223 0.073 0.000 2.042 115 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 115 L C 2.593 179.622 176.870 0.266 0.000 1.076 115 L CA 1.482 56.392 54.840 0.117 0.000 0.749 115 L CB -0.578 41.613 42.059 0.219 0.000 0.893 115 L HN 0.302 nan 8.230 nan 0.000 0.432 116 Y N 0.982 121.385 120.300 0.171 0.000 2.097 116 Y HA -0.319 4.231 4.550 -0.000 0.000 0.282 116 Y C 2.748 178.740 175.900 0.152 0.000 1.152 116 Y CA 1.832 60.039 58.100 0.178 0.000 1.136 116 Y CB -0.267 38.260 38.460 0.111 0.000 0.975 116 Y HN 0.173 nan 8.280 nan 0.000 0.498 117 Q N -1.552 118.311 119.800 0.104 0.000 2.119 117 Q HA -0.238 4.102 4.340 -0.000 0.000 0.201 117 Q C 2.088 178.066 176.000 -0.036 0.000 0.972 117 Q CA 1.546 57.351 55.803 0.004 0.000 0.847 117 Q CB -0.388 28.404 28.738 0.089 0.000 0.903 117 Q HN 0.650 nan 8.270 nan 0.000 0.433 118 H N 0.065 119.054 119.070 -0.135 0.000 2.265 118 H HA -0.182 4.374 4.556 -0.001 0.000 0.295 118 H C 1.478 176.678 175.328 -0.214 0.000 1.084 118 H CA 2.083 57.984 56.048 -0.245 0.000 1.261 118 H CB -0.198 29.300 29.762 -0.439 0.000 1.360 118 H HN 0.142 nan 8.280 nan 0.000 0.487 119 F N 0.648 120.569 119.950 -0.049 0.000 2.259 119 F HA 0.022 4.549 4.527 0.001 0.000 0.298 119 F C 2.632 178.345 175.800 -0.145 0.000 1.088 119 F CA 1.266 59.205 58.000 -0.101 0.000 1.358 119 F CB -0.410 38.603 39.000 0.022 0.000 1.040 119 F HN 0.181 nan 8.300 nan 0.000 0.505 120 K N 0.571 120.930 120.400 -0.068 0.000 2.026 120 K HA -0.160 4.160 4.320 -0.000 0.000 0.208 120 K C 2.315 178.883 176.600 -0.053 0.000 1.048 120 K CA 1.334 57.527 56.287 -0.158 0.000 0.929 120 K CB -0.334 31.919 32.500 -0.412 0.000 0.713 120 K HN 0.157 nan 8.250 nan 0.000 0.439 121 A N 1.227 124.016 122.820 -0.051 0.000 1.908 121 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 121 A C 2.101 179.748 177.584 0.104 0.000 1.181 121 A CA 1.673 53.731 52.037 0.037 0.000 0.627 121 A CB -0.644 18.339 19.000 -0.029 0.000 0.818 121 A HN 0.370 nan 8.150 nan 0.000 0.445 122 I N -0.186 120.362 120.570 -0.037 0.000 2.127 122 I HA -0.307 3.862 4.170 -0.000 0.000 0.241 122 I C 2.978 179.149 176.117 0.091 0.000 1.075 122 I CA 1.225 62.520 61.300 -0.009 0.000 1.334 122 I CB -0.378 37.585 38.000 -0.062 0.000 1.040 122 I HN 0.347 nan 8.210 nan 0.000 0.405 123 A N 0.213 123.081 122.820 0.079 0.000 1.940 123 A HA -0.236 4.083 4.320 -0.000 0.000 0.219 123 A C 2.146 179.763 177.584 0.055 0.000 1.176 123 A CA 1.766 53.846 52.037 0.071 0.000 0.631 123 A CB -0.627 18.408 19.000 0.058 0.000 0.814 123 A HN 0.493 nan 8.150 nan 0.000 0.446 124 E N -1.405 118.826 120.200 0.051 0.000 2.418 124 E HA -0.103 4.247 4.350 -0.000 0.000 0.197 124 E C 0.372 176.874 176.600 -0.164 0.000 1.026 124 E CA 0.578 56.953 56.400 -0.041 0.000 0.862 124 E CB -0.066 29.594 29.700 -0.066 0.000 0.799 124 E HN 0.825 nan 8.360 nan 0.000 0.518 125 H N -1.091 117.972 119.070 -0.011 0.000 2.487 125 H HA 0.233 4.789 4.556 -0.000 0.000 0.290 125 H C -0.437 174.892 175.328 0.002 0.000 1.081 125 H CA 0.173 56.214 56.048 -0.010 0.000 1.116 125 H CB 0.931 30.678 29.762 -0.024 0.000 1.560 125 H HN -0.119 nan 8.280 nan 0.000 0.548 126 T N -1.411 113.188 114.554 0.075 0.000 2.853 126 T HA 0.131 4.481 4.350 -0.000 0.000 0.311 126 T C -0.409 174.317 174.700 0.043 0.000 1.307 126 T CA -0.677 61.464 62.100 0.067 0.000 1.019 126 T CB 1.416 70.336 68.868 0.086 0.000 1.264 126 T HN 0.039 nan 8.240 nan 0.000 0.497 127 D N 1.529 121.956 120.400 0.044 0.000 2.369 127 D HA 0.265 4.905 4.640 -0.000 0.000 0.211 127 D C 0.440 176.769 176.300 0.049 0.000 1.077 127 D CA 0.180 54.202 54.000 0.038 0.000 0.842 127 D CB 0.357 41.174 40.800 0.029 0.000 0.947 127 D HN 0.401 nan 8.370 nan 0.000 0.509 128 L N 1.856 123.118 121.223 0.065 0.000 2.371 128 L HA 0.262 4.602 4.340 -0.000 0.000 0.272 128 L C -2.111 174.808 176.870 0.083 0.000 1.124 128 L CA -1.756 53.130 54.840 0.077 0.000 0.816 128 L CB 0.577 42.690 42.059 0.090 0.000 1.129 128 L HN -0.341 nan 8.230 nan 0.000 0.448 129 P HA -0.051 nan 4.420 nan 0.000 0.264 129 P C -1.152 176.204 177.300 0.092 0.000 1.183 129 P CA 0.140 63.313 63.100 0.121 0.000 0.763 129 P CB 0.354 32.191 31.700 0.230 0.000 0.807 130 Q N 2.906 122.742 119.800 0.060 0.000 2.333 130 Q HA 0.441 4.781 4.340 -0.000 0.000 0.265 130 Q C -0.212 175.767 176.000 -0.035 0.000 0.989 130 Q CA -0.368 55.451 55.803 0.026 0.000 0.842 130 Q CB 1.641 30.407 28.738 0.048 0.000 1.262 130 Q HN 0.465 nan 8.270 nan 0.000 0.451 131 I N 3.839 124.360 120.570 -0.081 0.000 2.328 131 I HA 0.247 4.417 4.170 -0.000 0.000 0.287 131 I C 0.203 176.266 176.117 -0.091 0.000 1.012 131 I CA -0.540 60.679 61.300 -0.135 0.000 1.195 131 I CB 0.785 38.654 38.000 -0.219 0.000 1.350 131 I HN 0.311 nan 8.210 nan 0.000 0.464 132 L N 6.042 127.187 121.223 -0.131 0.000 2.467 132 L HA 0.159 4.499 4.340 -0.000 0.000 0.270 132 L C -0.658 176.242 176.870 0.049 0.000 1.205 132 L CA -0.067 54.653 54.840 -0.200 0.000 0.828 132 L CB 0.147 41.998 42.059 -0.346 0.000 1.101 132 L HN 0.474 nan 8.230 nan 0.000 0.479 133 Y N 2.458 122.737 120.300 -0.035 0.000 2.322 133 Y HA 0.381 4.931 4.550 -0.000 0.000 0.324 133 Y C -1.046 174.910 175.900 0.094 0.000 1.027 133 Y CA -1.858 56.264 58.100 0.036 0.000 1.179 133 Y CB 1.305 39.798 38.460 0.055 0.000 1.136 133 Y HN 0.567 nan 8.280 nan 0.000 0.449 134 N N 4.268 123.097 118.700 0.215 0.000 2.417 134 N HA 0.544 5.284 4.740 -0.000 0.000 0.274 134 N C -1.903 173.619 175.510 0.021 0.000 0.987 134 N CA -0.282 52.808 53.050 0.067 0.000 0.912 134 N CB 1.669 40.221 38.487 0.109 0.000 1.177 134 N HN 0.443 nan 8.380 nan 0.000 0.490 135 V N 6.875 126.726 119.914 -0.104 0.000 2.666 135 V HA 0.393 4.513 4.120 -0.000 0.000 0.261 135 V C -2.082 173.984 176.094 -0.048 0.000 0.892 135 V CA -1.441 60.816 62.300 -0.072 0.000 0.937 135 V CB 1.430 33.176 31.823 -0.127 0.000 1.063 135 V HN 0.624 nan 8.190 nan 0.000 0.494 136 P HA -0.139 nan 4.420 nan 0.000 0.218 136 P C 1.881 179.185 177.300 0.006 0.000 1.148 136 P CA 2.097 65.200 63.100 0.005 0.000 0.822 136 P CB 0.157 31.865 31.700 0.014 0.000 0.784 137 S N -0.700 115.000 115.700 0.001 0.000 2.419 137 S HA -0.140 4.330 4.470 -0.000 0.000 0.235 137 S C 1.916 176.521 174.600 0.007 0.000 1.019 137 S CA 0.960 59.163 58.200 0.004 0.000 0.982 137 S CB -0.755 62.445 63.200 -0.001 0.000 0.789 137 S HN 0.171 nan 8.310 nan 0.000 0.490 138 R N 0.450 120.948 120.500 -0.003 0.000 2.206 138 R HA 0.115 4.455 4.340 -0.000 0.000 0.198 138 R C 2.404 178.713 176.300 0.016 0.000 0.986 138 R CA 1.268 57.363 56.100 -0.008 0.000 1.029 138 R CB -0.169 30.109 30.300 -0.037 0.000 0.966 138 R HN 0.728 nan 8.270 nan 0.000 0.487 139 T N -3.863 110.711 114.554 0.033 0.000 3.023 139 T HA 0.177 4.527 4.350 -0.000 0.000 0.249 139 T C 1.472 176.230 174.700 0.096 0.000 1.050 139 T CA 0.631 62.792 62.100 0.101 0.000 1.088 139 T CB 0.791 69.705 68.868 0.077 0.000 0.946 139 T HN 0.294 nan 8.240 nan 0.000 0.480 140 G N 0.583 109.417 108.800 0.056 0.000 2.148 140 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.254 140 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.254 140 G C 0.165 175.078 174.900 0.022 0.000 0.981 140 G CA -0.003 45.121 45.100 0.040 0.000 0.670 140 G HN 1.014 nan 8.290 nan 0.000 0.528 141 C N 0.358 119.673 119.300 0.024 0.000 2.535 141 C HA 0.719 5.179 4.460 -0.000 0.000 0.319 141 C C -1.226 173.782 174.990 0.030 0.000 1.171 141 C CA -0.726 58.303 59.018 0.018 0.000 1.394 141 C CB 1.889 29.634 27.740 0.008 0.000 1.990 141 C HN 0.415 nan 8.230 nan 0.000 0.466 142 D N 4.303 124.724 120.400 0.036 0.000 2.462 142 D HA 0.332 4.972 4.640 -0.000 0.000 0.245 142 D C -0.743 175.596 176.300 0.067 0.000 1.122 142 D CA -0.266 53.762 54.000 0.046 0.000 0.864 142 D CB 1.347 42.168 40.800 0.035 0.000 1.098 142 D HN 0.585 nan 8.370 nan 0.000 0.541 143 L N 5.333 126.612 121.223 0.093 0.000 2.407 143 L HA 0.310 4.649 4.340 -0.000 0.000 0.282 143 L C -0.866 176.061 176.870 0.095 0.000 1.110 143 L CA 0.040 54.953 54.840 0.122 0.000 0.863 143 L CB -0.067 42.091 42.059 0.164 0.000 1.207 143 L HN 0.364 nan 8.230 nan 0.000 0.454 144 L N 7.469 128.741 121.223 0.081 0.000 2.418 144 L HA 0.315 4.654 4.340 -0.000 0.000 0.265 144 L C -1.142 175.762 176.870 0.056 0.000 1.143 144 L CA -1.685 53.191 54.840 0.059 0.000 0.809 144 L CB 0.274 42.359 42.059 0.043 0.000 1.124 144 L HN 0.443 nan 8.230 nan 0.000 0.456 145 P HA -0.240 nan 4.420 nan 0.000 0.216 145 P C 1.535 178.839 177.300 0.006 0.000 1.157 145 P CA 1.179 64.293 63.100 0.025 0.000 0.880 145 P CB 0.176 31.885 31.700 0.016 0.000 0.791 146 E N -0.858 119.346 120.200 0.007 0.000 2.097 146 E HA -0.232 4.118 4.350 -0.000 0.000 0.196 146 E C 1.854 178.459 176.600 0.009 0.000 1.000 146 E CA 2.271 58.669 56.400 -0.003 0.000 0.804 146 E CB -1.773 27.925 29.700 -0.005 0.000 0.740 146 E HN 0.362 nan 8.360 nan 0.000 0.454 147 T N -0.018 114.561 114.554 0.042 0.000 2.857 147 T HA -0.055 4.295 4.350 -0.000 0.000 0.266 147 T C 2.007 176.775 174.700 0.114 0.000 1.048 147 T CA 1.236 63.392 62.100 0.094 0.000 1.139 147 T CB -0.296 68.652 68.868 0.135 0.000 0.874 147 T HN 0.279 nan 8.240 nan 0.000 0.455 148 V N 1.723 121.676 119.914 0.066 0.000 2.343 148 V HA -0.117 4.003 4.120 -0.000 0.000 0.247 148 V C 2.879 178.933 176.094 -0.067 0.000 1.051 148 V CA 1.929 64.244 62.300 0.025 0.000 1.036 148 V CB -1.469 30.365 31.823 0.018 0.000 0.654 148 V HN 0.580 nan 8.190 nan 0.000 0.451 149 G N -0.004 108.749 108.800 -0.077 0.000 2.446 149 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 149 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 149 G C 1.723 176.603 174.900 -0.035 0.000 1.168 149 G CA 0.640 45.677 45.100 -0.105 0.000 0.771 149 G HN 0.333 nan 8.290 nan 0.000 0.551 150 R N 0.013 120.529 120.500 0.027 0.000 2.096 150 R HA -0.002 4.337 4.340 -0.000 0.000 0.240 150 R C 2.702 179.154 176.300 0.252 0.000 1.139 150 R CA 0.993 57.152 56.100 0.099 0.000 0.952 150 R CB -0.991 29.328 30.300 0.031 0.000 0.854 150 R HN 0.394 nan 8.270 nan 0.000 0.436 151 L N 0.261 121.640 121.223 0.259 0.000 2.141 151 L HA -0.096 4.244 4.340 -0.000 0.000 0.209 151 L C 2.502 179.455 176.870 0.138 0.000 1.094 151 L CA 1.025 55.995 54.840 0.216 0.000 0.763 151 L CB -0.467 41.694 42.059 0.170 0.000 0.908 151 L HN 0.178 nan 8.230 nan 0.000 0.437 152 A N -0.257 122.601 122.820 0.062 0.000 2.121 152 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 152 A C 2.166 179.795 177.584 0.076 0.000 1.154 152 A CA 1.090 53.157 52.037 0.051 0.000 0.679 152 A CB -0.252 18.581 19.000 -0.279 0.000 0.795 152 A HN 0.338 nan 8.150 nan 0.000 0.458 153 K N -0.315 120.129 120.400 0.073 0.000 2.366 153 K HA 0.106 4.426 4.320 -0.000 0.000 0.198 153 K C -0.098 176.556 176.600 0.090 0.000 1.044 153 K CA 0.129 56.461 56.287 0.076 0.000 0.973 153 K CB 0.033 32.578 32.500 0.074 0.000 0.767 153 K HN 0.299 nan 8.250 nan 0.000 0.475 154 V N 2.707 122.684 119.914 0.103 0.000 2.614 154 V HA 0.037 4.157 4.120 -0.000 0.000 0.291 154 V C 0.449 176.588 176.094 0.075 0.000 1.049 154 V CA -0.522 61.825 62.300 0.079 0.000 1.038 154 V CB 1.055 32.910 31.823 0.052 0.000 0.980 154 V HN 0.133 nan 8.190 nan 0.000 0.481 155 K N 4.301 124.735 120.400 0.057 0.000 2.448 155 K HA 0.052 4.372 4.320 -0.000 0.000 0.278 155 K C 0.703 177.335 176.600 0.054 0.000 1.009 155 K CA 0.323 56.641 56.287 0.051 0.000 0.995 155 K CB 0.075 32.596 32.500 0.035 0.000 0.917 155 K HN 0.848 nan 8.250 nan 0.000 0.481 156 N N 1.056 119.792 118.700 0.059 0.000 2.962 156 N HA -0.203 4.537 4.740 -0.000 0.000 0.206 156 N C -0.658 174.896 175.510 0.073 0.000 0.907 156 N CA 1.122 54.208 53.050 0.061 0.000 1.029 156 N CB -1.147 37.373 38.487 0.056 0.000 1.009 156 N HN 0.506 nan 8.380 nan 0.000 0.587 157 I N 2.246 122.872 120.570 0.093 0.000 2.287 157 I HA 0.176 4.346 4.170 -0.000 0.000 0.290 157 I C 1.024 177.251 176.117 0.182 0.000 1.069 157 I CA -0.287 61.083 61.300 0.116 0.000 1.237 157 I CB 0.255 38.332 38.000 0.129 0.000 1.418 157 I HN 0.056 nan 8.210 nan 0.000 0.481 158 I N 2.213 122.802 120.570 0.032 0.000 4.338 158 I HA 0.626 4.796 4.170 -0.000 0.000 0.329 158 I C 0.461 176.159 176.117 -0.698 0.000 1.378 158 I CA -0.384 60.854 61.300 -0.103 0.000 1.170 158 I CB 0.434 38.425 38.000 -0.015 0.000 1.206 158 I HN 0.395 nan 8.210 nan 0.000 0.432 159 G N 0.339 108.595 108.800 -0.908 0.000 2.506 159 G HA2 0.678 4.638 3.960 -0.000 0.000 0.292 159 G HA3 0.678 4.638 3.960 -0.000 0.000 0.292 159 G C -1.983 172.613 174.900 -0.506 0.000 1.425 159 G CA -0.382 44.055 45.100 -1.105 0.000 0.788 159 G HN 0.206 nan 8.290 nan 0.000 0.490 163 A N 2.191 125.042 122.820 0.051 0.000 2.465 163 A HA 0.103 4.422 4.320 -0.000 0.000 0.255 163 A C 1.481 179.060 177.584 -0.008 0.000 1.274 163 A CA 0.819 52.863 52.037 0.011 0.000 0.920 163 A CB -0.141 18.947 19.000 0.147 0.000 1.033 163 A HN 0.488 nan 8.150 nan 0.000 0.516 164 T N -3.838 110.725 114.554 0.016 0.000 2.995 164 T HA 0.241 4.591 4.350 -0.000 0.000 0.269 164 T C 1.709 176.399 174.700 -0.016 0.000 1.091 164 T CA 1.299 63.404 62.100 0.008 0.000 1.128 164 T CB -0.364 68.523 68.868 0.031 0.000 0.891 164 T HN 1.567 nan 8.240 nan 0.000 0.492 165 G N 1.675 110.462 108.800 -0.021 0.000 2.189 165 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.267 165 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.267 165 G C 0.076 174.968 174.900 -0.014 0.000 0.975 165 G CA 0.144 45.226 45.100 -0.031 0.000 0.644 165 G HN 0.792 nan 8.290 nan 0.000 0.537 166 N N 0.740 119.445 118.700 0.009 0.000 2.439 166 N HA 0.406 5.146 4.740 -0.000 0.000 0.243 166 N C 1.637 177.129 175.510 -0.030 0.000 1.088 166 N CA -0.343 52.697 53.050 -0.015 0.000 0.940 166 N CB 0.400 38.888 38.487 0.002 0.000 1.180 166 N HN 0.249 nan 8.380 nan 0.000 0.505 167 L N 2.033 123.169 121.223 -0.146 0.000 2.275 167 L HA -0.106 4.234 4.340 -0.000 0.000 0.215 167 L C 2.290 179.017 176.870 -0.239 0.000 1.119 167 L CA 1.145 55.794 54.840 -0.319 0.000 0.790 167 L CB -0.554 41.020 42.059 -0.809 0.000 0.919 167 L HN 0.602 nan 8.230 nan 0.000 0.443 168 T N -2.982 111.499 114.554 -0.122 0.000 2.881 168 T HA -0.156 4.194 4.350 -0.000 0.000 0.270 168 T C 2.055 176.744 174.700 -0.019 0.000 1.068 168 T CA 0.520 62.597 62.100 -0.039 0.000 1.131 168 T CB -0.180 68.679 68.868 -0.016 0.000 0.871 168 T HN 0.170 nan 8.240 nan 0.000 0.479 169 R N 0.922 121.416 120.500 -0.009 0.000 2.120 169 R HA 0.035 4.375 4.340 -0.000 0.000 0.234 169 R C 2.516 178.821 176.300 0.009 0.000 1.123 169 R CA 0.873 56.989 56.100 0.026 0.000 0.975 169 R CB -1.409 28.938 30.300 0.078 0.000 0.866 169 R HN 0.428 nan 8.270 nan 0.000 0.446 170 V N 2.225 122.095 119.914 -0.074 0.000 2.231 170 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 170 V C 1.928 177.980 176.094 -0.070 0.000 1.054 170 V CA 2.033 64.227 62.300 -0.177 0.000 1.015 170 V CB -0.432 31.144 31.823 -0.411 0.000 0.638 170 V HN 0.368 nan 8.190 nan 0.000 0.444 171 N N -0.754 117.923 118.700 -0.039 0.000 2.415 171 N HA -0.066 4.674 4.740 -0.000 0.000 0.176 171 N C 1.887 177.394 175.510 -0.005 0.000 1.042 171 N CA 0.547 53.587 53.050 -0.016 0.000 0.902 171 N CB -0.023 38.459 38.487 -0.007 0.000 0.986 171 N HN 0.607 nan 8.380 nan 0.000 0.447 172 Q N 0.584 120.384 119.800 -0.001 0.000 2.170 172 Q HA -0.033 4.307 4.340 -0.000 0.000 0.203 172 Q C 1.855 177.852 176.000 -0.004 0.000 0.976 172 Q CA 0.984 56.788 55.803 0.000 0.000 0.858 172 Q CB 0.088 28.830 28.738 0.007 0.000 0.907 172 Q HN 0.405 nan 8.270 nan 0.000 0.433 173 I N 0.235 120.809 120.570 0.007 0.000 2.296 173 I HA -0.209 3.961 4.170 -0.000 0.000 0.242 173 I C 2.111 178.213 176.117 -0.024 0.000 1.087 173 I CA 0.859 62.157 61.300 -0.004 0.000 1.393 173 I CB -0.107 37.932 38.000 0.066 0.000 1.093 173 I HN 0.036 nan 8.210 nan 0.000 0.421 174 K N 1.017 121.429 120.400 0.020 0.000 2.113 174 K HA -0.245 4.074 4.320 -0.000 0.000 0.208 174 K C 1.868 178.470 176.600 0.002 0.000 1.047 174 K CA 1.931 58.242 56.287 0.040 0.000 0.928 174 K CB -0.241 32.289 32.500 0.050 0.000 0.716 174 K HN 0.503 nan 8.250 nan 0.000 0.446 175 E N 0.792 120.985 120.200 -0.011 0.000 2.409 175 E HA -0.156 4.194 4.350 -0.000 0.000 0.198 175 E C 1.347 177.928 176.600 -0.032 0.000 1.024 175 E CA 0.791 57.181 56.400 -0.016 0.000 0.861 175 E CB -0.056 29.636 29.700 -0.014 0.000 0.788 175 E HN 0.306 nan 8.360 nan 0.000 0.521 176 L N 1.214 122.402 121.223 -0.059 0.000 2.693 176 L HA 0.249 4.589 4.340 -0.000 0.000 0.235 176 L C 0.454 177.249 176.870 -0.124 0.000 1.127 176 L CA -0.461 54.331 54.840 -0.080 0.000 0.914 176 L CB 1.014 43.021 42.059 -0.087 0.000 1.193 176 L HN 0.103 nan 8.230 nan 0.000 0.502 177 V N -4.686 115.144 119.914 -0.140 0.000 3.141 177 V HA 0.658 4.778 4.120 -0.000 0.000 0.312 177 V C 0.215 176.279 176.094 -0.050 0.000 1.157 177 V CA -0.839 61.343 62.300 -0.197 0.000 1.041 177 V CB 1.646 33.144 31.823 -0.543 0.000 1.071 177 V HN 0.104 nan 8.190 nan 0.000 0.441 178 S N 0.081 115.784 115.700 0.006 0.000 2.584 178 S HA 0.146 4.616 4.470 -0.000 0.000 0.270 178 S C 0.591 175.255 174.600 0.107 0.000 1.346 178 S CA 0.468 58.705 58.200 0.063 0.000 1.018 178 S CB 0.682 63.930 63.200 0.079 0.000 0.899 178 S HN 0.827 nan 8.310 nan 0.000 0.542 179 D N 0.664 121.113 120.400 0.080 0.000 2.265 179 D HA -0.059 4.581 4.640 -0.000 0.000 0.208 179 D C 0.813 177.156 176.300 0.072 0.000 0.977 179 D CA 1.098 55.149 54.000 0.085 0.000 0.871 179 D CB -0.214 40.620 40.800 0.057 0.000 0.925 179 D HN 0.619 nan 8.370 nan 0.000 0.485 180 D N -0.744 119.696 120.400 0.067 0.000 2.354 180 D HA -0.032 4.608 4.640 -0.000 0.000 0.209 180 D C 0.367 176.680 176.300 0.021 0.000 1.015 180 D CA -0.210 53.797 54.000 0.012 0.000 0.867 180 D CB 0.007 40.812 40.800 0.010 0.000 0.933 180 D HN 0.170 nan 8.370 nan 0.000 0.520 181 F N 2.710 122.642 119.950 -0.030 0.000 2.543 181 F HA 0.078 4.605 4.527 -0.000 0.000 0.375 181 F C 0.406 176.194 175.800 -0.020 0.000 1.075 181 F CA -0.736 57.264 58.000 -0.000 0.000 1.225 181 F CB 0.647 39.670 39.000 0.038 0.000 1.099 181 F HN -0.292 nan 8.300 nan 0.000 0.561 182 V N 6.602 126.285 119.914 -0.385 0.000 2.481 182 V HA 0.453 4.573 4.120 -0.000 0.000 0.286 182 V C -0.637 175.500 176.094 0.071 0.000 1.042 182 V CA -0.966 61.231 62.300 -0.171 0.000 0.928 182 V CB 1.436 33.170 31.823 -0.147 0.000 0.986 182 V HN 0.575 nan 8.190 nan 0.000 0.462 183 L N 6.017 127.551 121.223 0.519 0.000 2.265 183 L HA 0.589 4.929 4.340 -0.000 0.000 0.289 183 L C -0.450 176.742 176.870 0.535 0.000 1.033 183 L CA -0.126 55.008 54.840 0.491 0.000 0.814 183 L CB 1.202 43.495 42.059 0.390 0.000 1.203 183 L HN 0.694 nan 8.230 nan 0.000 0.423 184 L N 2.238 123.653 121.223 0.320 0.000 2.362 184 L HA 0.367 4.707 4.340 -0.000 0.000 0.275 184 L C 0.502 177.138 176.870 -0.390 0.000 0.998 184 L CA -0.410 54.470 54.840 0.067 0.000 0.820 184 L CB 2.242 44.284 42.059 -0.029 0.000 1.270 184 L HN 0.530 nan 8.230 nan 0.000 0.415 185 S N 1.283 116.483 115.700 -0.834 0.000 2.533 185 S HA 0.262 4.731 4.470 -0.000 0.000 0.282 185 S C 0.899 175.194 174.600 -0.509 0.000 1.304 185 S CA -0.004 57.515 58.200 -1.134 0.000 1.063 185 S CB 0.779 63.441 63.200 -0.897 0.000 0.881 185 S HN 0.812 nan 8.310 nan 0.000 0.493 186 G N 2.867 111.430 108.800 -0.394 0.000 3.707 186 G HA2 0.262 4.221 3.960 -0.000 0.000 0.286 186 G HA3 0.262 4.221 3.960 -0.000 0.000 0.286 186 G C -0.505 174.281 174.900 -0.190 0.000 1.112 186 G CA -0.361 44.605 45.100 -0.224 0.000 0.861 186 G HN 0.705 nan 8.290 nan 0.000 0.534 187 D N -0.549 119.694 120.400 -0.262 0.000 2.386 187 D HA 0.212 4.852 4.640 -0.000 0.000 0.247 187 D C 0.621 176.744 176.300 -0.295 0.000 1.336 187 D CA -0.521 53.313 54.000 -0.276 0.000 0.976 187 D CB 1.097 41.759 40.800 -0.229 0.000 1.257 187 D HN -0.149 nan 8.370 nan 0.000 0.570 188 D N 2.391 122.604 120.400 -0.311 0.000 2.123 188 D HA -0.179 4.461 4.640 -0.000 0.000 0.196 188 D C 1.800 177.763 176.300 -0.560 0.000 0.992 188 D CA 1.169 54.944 54.000 -0.375 0.000 0.833 188 D CB 0.224 40.924 40.800 -0.167 0.000 0.954 188 D HN 0.547 nan 8.370 nan 0.000 0.455 189 A N 0.656 123.271 122.820 -0.342 0.000 2.019 189 A HA -0.113 4.206 4.320 -0.000 0.000 0.219 189 A C 2.072 179.585 177.584 -0.118 0.000 1.164 189 A CA 1.799 53.732 52.037 -0.172 0.000 0.644 189 A CB -0.118 18.835 19.000 -0.078 0.000 0.805 189 A HN 0.288 nan 8.150 nan 0.000 0.449 190 S N -1.807 113.811 115.700 -0.136 0.000 2.593 190 S HA 0.561 5.031 4.470 -0.000 0.000 0.236 190 S C 1.466 176.057 174.600 -0.015 0.000 0.991 190 S CA 0.538 58.705 58.200 -0.056 0.000 0.963 190 S CB 0.235 63.406 63.200 -0.049 0.000 0.865 190 S HN 0.658 nan 8.310 nan 0.000 0.488 191 A N 1.986 124.753 122.820 -0.088 0.000 1.902 191 A HA 0.093 4.413 4.320 -0.000 0.000 0.217 191 A C 2.044 179.703 177.584 0.125 0.000 1.181 191 A CA 1.406 53.419 52.037 -0.039 0.000 0.623 191 A CB -0.712 18.207 19.000 -0.135 0.000 0.818 191 A HN 0.534 nan 8.150 nan 0.000 0.443 192 L N 0.047 121.345 121.223 0.125 0.000 2.056 192 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 192 L C 1.638 178.661 176.870 0.255 0.000 1.078 192 L CA 2.351 57.326 54.840 0.225 0.000 0.749 192 L CB -0.710 41.483 42.059 0.224 0.000 0.901 192 L HN 0.313 nan 8.230 nan 0.000 0.433 193 D N -0.837 119.671 120.400 0.181 0.000 2.104 193 D HA -0.266 4.374 4.640 -0.000 0.000 0.194 193 D C 2.054 178.483 176.300 0.215 0.000 0.994 193 D CA 1.618 55.719 54.000 0.169 0.000 0.830 193 D CB -0.380 40.465 40.800 0.075 0.000 0.959 193 D HN 0.393 nan 8.370 nan 0.000 0.452 194 F N 0.945 120.907 119.950 0.021 0.000 2.091 194 F HA -0.213 4.314 4.527 -0.000 0.000 0.299 194 F C 2.426 178.277 175.800 0.086 0.000 1.103 194 F CA 1.458 59.465 58.000 0.013 0.000 1.228 194 F CB -0.188 38.801 39.000 -0.018 0.000 0.984 194 F HN -0.124 nan 8.300 nan 0.000 0.477 195 M N -0.455 119.361 119.600 0.361 0.000 2.117 195 M HA -0.258 4.222 4.480 -0.000 0.000 0.262 195 M C 2.339 178.778 176.300 0.233 0.000 1.065 195 M CA 1.842 57.315 55.300 0.289 0.000 1.114 195 M CB -0.675 32.136 32.600 0.351 0.000 1.361 195 M HN 0.259 nan 8.290 nan 0.000 0.408 196 Q N -0.386 119.503 119.800 0.147 0.000 2.226 196 Q HA -0.194 4.146 4.340 -0.000 0.000 0.204 196 Q C 1.201 177.052 176.000 -0.248 0.000 0.975 196 Q CA 1.497 57.055 55.803 -0.408 0.000 0.866 196 Q CB 0.064 28.427 28.738 -0.625 0.000 0.915 196 Q HN 0.514 nan 8.270 nan 0.000 0.440 197 Y N -1.638 118.528 120.300 -0.222 0.000 2.529 197 Y HA 0.172 4.721 4.550 -0.000 0.000 0.290 197 Y C 1.407 177.159 175.900 -0.246 0.000 1.177 197 Y CA 0.891 58.855 58.100 -0.227 0.000 1.305 197 Y CB 0.983 39.307 38.460 -0.227 0.000 1.047 197 Y HN 0.275 nan 8.280 nan 0.000 0.522 198 G N -1.367 107.356 108.800 -0.128 0.000 2.227 198 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.168 198 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.168 198 G C 0.731 175.413 174.900 -0.363 0.000 1.006 198 G CA -0.401 44.582 45.100 -0.195 0.000 0.684 198 G HN 0.635 nan 8.290 nan 0.000 0.489 199 G N -0.851 107.721 108.800 -0.380 0.000 2.664 199 G HA2 0.438 4.398 3.960 -0.000 0.000 0.242 199 G HA3 0.438 4.398 3.960 -0.000 0.000 0.242 199 G C 0.336 175.131 174.900 -0.176 0.000 1.225 199 G CA 0.340 45.271 45.100 -0.280 0.000 0.849 199 G HN 0.458 nan 8.290 nan 0.000 0.581 200 H N -0.582 118.626 119.070 0.230 0.000 2.740 200 H HA 0.403 4.959 4.556 -0.000 0.000 0.265 200 H C 1.263 176.676 175.328 0.142 0.000 0.978 200 H CA 0.639 56.780 56.048 0.155 0.000 1.198 200 H CB 1.031 30.866 29.762 0.121 0.000 1.467 200 H HN 0.858 nan 8.280 nan 0.000 0.511 201 G N -0.465 108.493 108.800 0.263 0.000 2.323 201 G HA2 0.325 4.284 3.960 -0.000 0.000 0.291 201 G HA3 0.325 4.284 3.960 -0.000 0.000 0.291 201 G C -1.955 172.996 174.900 0.086 0.000 1.278 201 G CA -0.072 45.122 45.100 0.157 0.000 0.860 201 G HN 0.114 nan 8.290 nan 0.000 0.504 202 V N 0.045 119.963 119.914 0.007 0.000 2.851 202 V HA 0.661 4.781 4.120 -0.000 0.000 0.307 202 V C -1.075 174.962 176.094 -0.094 0.000 1.129 202 V CA -0.854 61.394 62.300 -0.086 0.000 0.932 202 V CB 1.655 33.434 31.823 -0.073 0.000 1.024 202 V HN 0.744 nan 8.190 nan 0.000 0.426 203 I N 5.743 126.220 120.570 -0.154 0.000 2.291 203 I HA 0.417 4.587 4.170 -0.000 0.000 0.290 203 I C 0.278 176.319 176.117 -0.126 0.000 1.050 203 I CA 0.217 61.420 61.300 -0.161 0.000 1.245 203 I CB 1.424 39.280 38.000 -0.241 0.000 1.405 203 I HN 0.628 nan 8.210 nan 0.000 0.478 204 S N 4.629 120.289 115.700 -0.067 0.000 2.501 204 S HA 0.430 4.900 4.470 -0.000 0.000 0.301 204 S C 0.751 175.382 174.600 0.052 0.000 1.096 204 S CA -0.703 57.498 58.200 0.002 0.000 1.063 204 S CB 1.883 65.102 63.200 0.032 0.000 1.042 204 S HN 0.355 nan 8.310 nan 0.000 0.494 205 V N 4.346 124.342 119.914 0.137 0.000 2.379 205 V HA -0.048 4.072 4.120 -0.000 0.000 0.243 205 V C 2.530 178.707 176.094 0.139 0.000 1.035 205 V CA 2.039 64.422 62.300 0.139 0.000 1.035 205 V CB -1.156 30.785 31.823 0.196 0.000 0.673 205 V HN 0.953 nan 8.190 nan 0.000 0.457 206 T N 1.077 115.759 114.554 0.214 0.000 2.778 206 T HA -0.224 4.126 4.350 -0.000 0.000 0.269 206 T C 1.977 176.791 174.700 0.189 0.000 1.050 206 T CA 1.656 63.890 62.100 0.224 0.000 1.137 206 T CB -0.452 68.645 68.868 0.380 0.000 0.860 206 T HN 0.554 nan 8.240 nan 0.000 0.468 207 A N 1.980 124.910 122.820 0.183 0.000 2.125 207 A HA -0.137 4.182 4.320 -0.000 0.000 0.219 207 A C 2.211 179.996 177.584 0.336 0.000 1.156 207 A CA 1.085 53.249 52.037 0.213 0.000 0.671 207 A CB -0.557 18.537 19.000 0.156 0.000 0.794 207 A HN 0.445 nan 8.150 nan 0.000 0.459 208 N N -0.089 118.769 118.700 0.264 0.000 2.205 208 N HA -0.148 4.592 4.740 -0.000 0.000 0.186 208 N C 1.491 177.132 175.510 0.218 0.000 1.015 208 N CA 2.183 55.406 53.050 0.290 0.000 0.862 208 N CB 0.014 38.583 38.487 0.136 0.000 0.986 208 N HN 0.618 nan 8.380 nan 0.000 0.429 209 V N -4.548 115.462 119.914 0.161 0.000 3.451 209 V HA 0.591 4.711 4.120 -0.000 0.000 0.288 209 V C 0.587 176.769 176.094 0.147 0.000 1.502 209 V CA 0.169 62.510 62.300 0.069 0.000 1.026 209 V CB 0.558 32.383 31.823 0.005 0.000 0.840 209 V HN 0.069 nan 8.190 nan 0.000 0.437 210 A N 0.191 123.126 122.820 0.193 0.000 3.176 210 A HA 0.883 5.203 4.320 -0.000 0.000 0.265 210 A C 1.392 179.063 177.584 0.145 0.000 0.936 210 A CA 0.482 52.612 52.037 0.156 0.000 1.033 210 A CB 0.358 19.422 19.000 0.105 0.000 1.158 210 A HN 0.750 nan 8.150 nan 0.000 0.485 211 A N 0.647 123.558 122.820 0.153 0.000 1.902 211 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 211 A C 2.101 179.662 177.584 -0.039 0.000 1.181 211 A CA 1.806 53.850 52.037 0.012 0.000 0.623 211 A CB -0.368 18.417 19.000 -0.358 0.000 0.818 211 A HN 0.625 nan 8.150 nan 0.000 0.443 212 R N -0.342 120.116 120.500 -0.070 0.000 2.073 212 R HA -0.148 4.192 4.340 -0.000 0.000 0.234 212 R C 1.598 177.900 176.300 0.002 0.000 1.134 212 R CA 1.839 57.911 56.100 -0.048 0.000 0.952 212 R CB -0.307 29.969 30.300 -0.041 0.000 0.850 212 R HN 0.518 nan 8.270 nan 0.000 0.433 213 D N -0.049 120.369 120.400 0.029 0.000 2.117 213 D HA -0.180 4.460 4.640 -0.000 0.000 0.197 213 D C 1.939 178.276 176.300 0.061 0.000 0.987 213 D CA 1.146 55.173 54.000 0.045 0.000 0.829 213 D CB -0.030 40.803 40.800 0.055 0.000 0.961 213 D HN 0.245 nan 8.370 nan 0.000 0.460 214 M N 0.820 120.467 119.600 0.079 0.000 2.117 214 M HA -0.080 4.399 4.480 -0.000 0.000 0.262 214 M C 2.389 178.726 176.300 0.062 0.000 1.065 214 M CA 0.713 56.069 55.300 0.094 0.000 1.114 214 M CB -1.090 31.579 32.600 0.115 0.000 1.361 214 M HN -0.066 nan 8.290 nan 0.000 0.408 215 A N -0.520 122.324 122.820 0.040 0.000 1.902 215 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 215 A C 2.192 179.788 177.584 0.019 0.000 1.181 215 A CA 1.421 53.471 52.037 0.023 0.000 0.623 215 A CB -0.621 18.382 19.000 0.004 0.000 0.818 215 A HN 0.430 nan 8.150 nan 0.000 0.443 216 Q N -0.848 118.963 119.800 0.019 0.000 2.079 216 Q HA -0.147 4.193 4.340 -0.000 0.000 0.200 216 Q C 2.122 178.132 176.000 0.017 0.000 0.974 216 Q CA 1.805 57.617 55.803 0.015 0.000 0.840 216 Q CB -0.364 28.384 28.738 0.015 0.000 0.898 216 Q HN 0.776 nan 8.270 nan 0.000 0.430 217 M N -0.777 118.844 119.600 0.034 0.000 2.086 217 M HA -0.213 4.267 4.480 -0.000 0.000 0.261 217 M C 2.208 178.516 176.300 0.013 0.000 1.067 217 M CA 1.581 56.904 55.300 0.038 0.000 1.116 217 M CB -0.140 32.508 32.600 0.081 0.000 1.348 217 M HN 0.256 nan 8.290 nan 0.000 0.407 218 C N 0.400 119.717 119.300 0.027 0.000 2.425 218 C HA -0.128 4.332 4.460 -0.000 0.000 0.277 218 C C 2.718 177.701 174.990 -0.012 0.000 1.280 218 C CA 1.104 60.135 59.018 0.022 0.000 1.744 218 C CB -1.053 26.712 27.740 0.042 0.000 1.989 218 C HN 0.587 nan 8.230 nan 0.000 0.491 219 K N 0.736 121.130 120.400 -0.011 0.000 2.026 219 K HA -0.115 4.205 4.320 -0.000 0.000 0.208 219 K C 1.932 178.499 176.600 -0.054 0.000 1.048 219 K CA 1.372 57.648 56.287 -0.020 0.000 0.929 219 K CB -0.282 32.216 32.500 -0.003 0.000 0.713 219 K HN 0.444 nan 8.250 nan 0.000 0.439 220 L N 0.615 121.805 121.223 -0.054 0.000 2.083 220 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 220 L C 2.660 179.350 176.870 -0.300 0.000 1.083 220 L CA 1.249 56.044 54.840 -0.076 0.000 0.752 220 L CB -0.533 41.508 42.059 -0.029 0.000 0.899 220 L HN 0.290 nan 8.230 nan 0.000 0.433 221 A N 0.098 122.696 122.820 -0.369 0.000 1.877 221 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 221 A C 2.535 179.831 177.584 -0.481 0.000 1.186 221 A CA 1.809 53.413 52.037 -0.723 0.000 0.620 221 A CB -0.794 18.035 19.000 -0.284 0.000 0.822 221 A HN 0.397 nan 8.150 nan 0.000 0.443 222 A N -0.653 122.049 122.820 -0.196 0.000 1.972 222 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 222 A C 1.696 179.198 177.584 -0.138 0.000 1.169 222 A CA 1.880 53.862 52.037 -0.091 0.000 0.635 222 A CB -0.338 18.647 19.000 -0.025 0.000 0.810 222 A HN 0.418 nan 8.150 nan 0.000 0.446 223 E N -1.189 118.878 120.200 -0.222 0.000 2.476 223 E HA 0.317 4.667 4.350 -0.000 0.000 0.191 223 E C 1.149 177.426 176.600 -0.538 0.000 1.064 223 E CA 0.556 56.773 56.400 -0.305 0.000 0.866 223 E CB -0.334 29.221 29.700 -0.242 0.000 0.952 223 E HN 0.699 nan 8.360 nan 0.000 0.492 224 G N 0.848 109.390 108.800 -0.430 0.000 2.148 224 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.254 224 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.254 224 G C -0.113 174.627 174.900 -0.267 0.000 0.981 224 G CA 0.246 45.184 45.100 -0.271 0.000 0.670 224 G HN 0.531 nan 8.290 nan 0.000 0.528 225 H N -0.514 118.416 119.070 -0.234 0.000 2.652 225 H HA 0.475 5.031 4.556 -0.000 0.000 0.233 225 H C 1.039 176.265 175.328 -0.172 0.000 1.762 225 H CA -0.783 55.191 56.048 -0.123 0.000 1.285 225 H CB -0.046 29.661 29.762 -0.091 0.000 1.668 225 H HN 0.257 nan 8.280 nan 0.000 0.550 226 F N 0.745 120.762 119.950 0.112 0.000 2.367 226 F HA -0.054 4.473 4.527 -0.000 0.000 0.298 226 F C 2.433 178.280 175.800 0.080 0.000 1.094 226 F CA 0.713 58.761 58.000 0.081 0.000 1.409 226 F CB -0.030 39.002 39.000 0.053 0.000 1.064 226 F HN 0.562 nan 8.300 nan 0.000 0.528 227 A N 0.264 123.221 122.820 0.228 0.000 1.865 227 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 227 A C 2.036 179.683 177.584 0.105 0.000 1.191 227 A CA 2.068 54.191 52.037 0.144 0.000 0.623 227 A CB -0.725 18.339 19.000 0.106 0.000 0.826 227 A HN 0.308 nan 8.150 nan 0.000 0.444 228 E N -0.089 120.160 120.200 0.082 0.000 2.106 228 E HA 0.034 4.383 4.350 -0.000 0.000 0.192 228 E C 2.214 178.846 176.600 0.053 0.000 0.984 228 E CA 1.210 57.638 56.400 0.046 0.000 0.806 228 E CB -0.453 29.253 29.700 0.009 0.000 0.750 228 E HN 0.579 nan 8.360 nan 0.000 0.458 229 A N 1.116 123.969 122.820 0.055 0.000 1.933 229 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 229 A C 1.995 179.645 177.584 0.111 0.000 1.175 229 A CA 1.254 53.325 52.037 0.056 0.000 0.628 229 A CB -0.288 18.709 19.000 -0.004 0.000 0.814 229 A HN 0.010 nan 8.150 nan 0.000 0.444 230 R N -0.355 120.230 120.500 0.141 0.000 2.105 230 R HA -0.104 4.236 4.340 -0.000 0.000 0.239 230 R C 2.099 178.464 176.300 0.109 0.000 1.135 230 R CA 1.424 57.608 56.100 0.141 0.000 0.967 230 R CB -1.186 29.197 30.300 0.138 0.000 0.861 230 R HN 0.448 nan 8.270 nan 0.000 0.442 231 V N 1.531 121.497 119.914 0.086 0.000 2.332 231 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 231 V C 2.404 178.540 176.094 0.070 0.000 1.055 231 V CA 1.748 64.088 62.300 0.067 0.000 1.038 231 V CB -0.414 31.436 31.823 0.045 0.000 0.651 231 V HN 0.223 nan 8.190 nan 0.000 0.450 232 I N 0.071 120.684 120.570 0.072 0.000 2.252 232 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 232 I C 2.506 178.680 176.117 0.096 0.000 1.102 232 I CA 1.724 63.068 61.300 0.073 0.000 1.385 232 I CB -0.622 37.419 38.000 0.069 0.000 1.064 232 I HN 0.417 nan 8.210 nan 0.000 0.414 233 N N 0.877 119.654 118.700 0.129 0.000 2.120 233 N HA -0.213 4.527 4.740 -0.000 0.000 0.188 233 N C 1.758 177.344 175.510 0.128 0.000 1.024 233 N CA 1.241 54.395 53.050 0.174 0.000 0.852 233 N CB 0.127 38.739 38.487 0.207 0.000 1.003 233 N HN 0.311 nan 8.380 nan 0.000 0.424 234 E N 0.932 121.204 120.200 0.120 0.000 2.077 234 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 234 E C 2.043 178.749 176.600 0.177 0.000 0.989 234 E CA 0.653 57.129 56.400 0.127 0.000 0.800 234 E CB -0.255 29.517 29.700 0.120 0.000 0.746 234 E HN 0.375 nan 8.360 nan 0.000 0.452 235 R N 0.457 121.046 120.500 0.149 0.000 2.091 235 R HA -0.083 4.257 4.340 -0.000 0.000 0.238 235 R C 2.266 178.673 176.300 0.177 0.000 1.136 235 R CA 1.049 57.255 56.100 0.176 0.000 0.959 235 R CB -0.101 30.242 30.300 0.071 0.000 0.856 235 R HN 0.124 nan 8.270 nan 0.000 0.437 236 L N -0.134 121.085 121.223 -0.006 0.000 2.567 236 L HA 0.089 4.429 4.340 -0.000 0.000 0.225 236 L C 2.237 178.828 176.870 -0.466 0.000 1.119 236 L CA -0.080 54.615 54.840 -0.242 0.000 0.871 236 L CB -0.119 41.717 42.059 -0.372 0.000 1.036 236 L HN 0.311 nan 8.230 nan 0.000 0.459 237 M N 1.020 120.489 119.600 -0.218 0.000 2.117 237 M HA -0.133 4.347 4.480 -0.000 0.000 0.262 237 M C -0.632 175.605 176.300 -0.106 0.000 1.065 237 M CA 2.210 57.450 55.300 -0.099 0.000 1.114 237 M CB -0.610 31.994 32.600 0.007 0.000 1.361 237 M HN 0.022 nan 8.290 nan 0.000 0.408 238 P HA -0.146 nan 4.420 nan 0.000 0.216 238 P C 1.513 178.780 177.300 -0.054 0.000 1.150 238 P CA 1.269 64.271 63.100 -0.164 0.000 0.837 238 P CB -0.144 31.368 31.700 -0.314 0.000 0.786 239 L N -1.616 119.563 121.223 -0.073 0.000 2.017 239 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 239 L C 2.616 179.568 176.870 0.137 0.000 1.073 239 L CA 1.461 56.302 54.840 0.002 0.000 0.745 239 L CB -1.048 40.992 42.059 -0.030 0.000 0.894 239 L HN 0.114 nan 8.230 nan 0.000 0.432 240 H N -0.080 119.072 119.070 0.137 0.000 2.426 240 H HA -0.143 4.413 4.556 -0.000 0.000 0.298 240 H C 2.046 177.533 175.328 0.265 0.000 1.107 240 H CA 1.311 57.482 56.048 0.204 0.000 1.298 240 H CB -0.322 29.502 29.762 0.103 0.000 1.377 240 H HN 0.401 nan 8.280 nan 0.000 0.519 241 N N 0.291 119.159 118.700 0.280 0.000 2.258 241 N HA -0.065 4.675 4.740 -0.000 0.000 0.183 241 N C 1.719 177.366 175.510 0.227 0.000 1.029 241 N CA 0.496 53.677 53.050 0.217 0.000 0.857 241 N CB 0.140 38.689 38.487 0.102 0.000 1.008 241 N HN 0.155 nan 8.380 nan 0.000 0.433 242 K N 1.263 121.742 120.400 0.131 0.000 2.432 242 K HA 0.146 4.465 4.320 -0.000 0.000 0.196 242 K C 1.651 178.263 176.600 0.021 0.000 1.038 242 K CA 0.084 56.409 56.287 0.064 0.000 0.986 242 K CB -0.148 32.364 32.500 0.019 0.000 0.782 242 K HN 0.249 nan 8.250 nan 0.000 0.485 243 L N -0.318 120.908 121.223 0.005 0.000 2.610 243 L HA 0.008 4.348 4.340 -0.000 0.000 0.232 243 L C 0.649 177.121 176.870 -0.663 0.000 1.149 243 L CA 0.623 55.278 54.840 -0.308 0.000 0.872 243 L CB -0.137 41.682 42.059 -0.399 0.000 0.992 243 L HN 0.024 nan 8.230 nan 0.000 0.447 244 F N -3.618 116.348 119.950 0.027 0.000 2.856 244 F HA 0.138 4.665 4.527 -0.000 0.000 0.338 244 F C 1.578 177.381 175.800 0.005 0.000 1.100 244 F CA -0.109 57.901 58.000 0.017 0.000 1.150 244 F CB 0.027 39.039 39.000 0.020 0.000 1.101 244 F HN -0.293 nan 8.300 nan 0.000 0.548 245 V N -0.175 119.811 119.914 0.120 0.000 2.283 245 V HA -0.139 3.981 4.120 -0.000 0.000 0.243 245 V C 1.080 177.194 176.094 0.033 0.000 1.039 245 V CA 1.369 63.711 62.300 0.069 0.000 1.016 245 V CB -0.304 31.539 31.823 0.034 0.000 0.650 245 V HN 0.177 nan 8.190 nan 0.000 0.449 246 E N 0.653 120.852 120.200 -0.002 0.000 2.349 246 E HA 0.229 4.579 4.350 -0.000 0.000 0.265 246 E C -2.464 174.130 176.600 -0.010 0.000 1.064 246 E CA -2.103 54.286 56.400 -0.018 0.000 0.886 246 E CB 0.370 30.041 29.700 -0.049 0.000 1.036 246 E HN 0.247 nan 8.360 nan 0.000 0.413 247 P HA -0.089 nan 4.420 nan 0.000 0.266 247 P C -0.486 176.801 177.300 -0.022 0.000 1.215 247 P CA 0.218 63.323 63.100 0.008 0.000 0.763 247 P CB 0.239 31.940 31.700 0.001 0.000 0.806 248 N N 5.177 123.867 118.700 -0.016 0.000 2.412 248 N HA -0.028 4.711 4.740 -0.000 0.000 0.258 248 N C -1.551 173.941 175.510 -0.030 0.000 1.236 248 N CA -0.841 52.161 53.050 -0.080 0.000 0.882 248 N CB 0.501 38.968 38.487 -0.035 0.000 1.066 248 N HN 0.260 nan 8.380 nan 0.000 0.465 249 P HA 0.188 nan 4.420 nan 0.000 0.254 249 P C 1.017 178.287 177.300 -0.051 0.000 1.620 249 P CA -0.045 63.014 63.100 -0.069 0.000 1.050 249 P CB 0.090 31.764 31.700 -0.044 0.000 1.539 250 I N 1.190 121.733 120.570 -0.044 0.000 2.127 250 I HA -0.153 4.017 4.170 -0.000 0.000 0.241 250 I C -0.547 175.574 176.117 0.007 0.000 1.075 250 I CA 1.681 62.971 61.300 -0.016 0.000 1.334 250 I CB -1.937 36.049 38.000 -0.024 0.000 1.040 250 I HN 0.057 nan 8.210 nan 0.000 0.405 251 P HA -0.150 nan 4.420 nan 0.000 0.216 251 P C 2.003 179.335 177.300 0.054 0.000 1.153 251 P CA 1.133 64.232 63.100 -0.002 0.000 0.848 251 P CB 0.020 31.666 31.700 -0.091 0.000 0.787 252 V N -0.150 119.739 119.914 -0.040 0.000 2.515 252 V HA -0.216 3.903 4.120 -0.000 0.000 0.250 252 V C 2.113 178.209 176.094 0.003 0.000 1.058 252 V CA 1.856 64.138 62.300 -0.029 0.000 1.064 252 V CB -0.800 30.973 31.823 -0.084 0.000 0.675 252 V HN 0.046 nan 8.190 nan 0.000 0.461 253 K N -1.434 118.976 120.400 0.016 0.000 2.057 253 K HA -0.220 4.099 4.320 -0.000 0.000 0.206 253 K C 1.848 178.464 176.600 0.027 0.000 1.050 253 K CA 1.910 58.203 56.287 0.010 0.000 0.935 253 K CB -0.337 32.172 32.500 0.014 0.000 0.715 253 K HN 0.682 nan 8.250 nan 0.000 0.439 254 W N 1.547 122.810 121.300 -0.061 0.000 2.358 254 W HA -0.232 4.428 4.660 -0.000 0.000 0.303 254 W C 2.099 178.584 176.519 -0.056 0.000 1.208 254 W CA 2.207 59.520 57.345 -0.053 0.000 1.274 254 W CB -0.292 29.138 29.460 -0.050 0.000 1.138 254 W HN 0.075 nan 8.180 nan 0.000 0.515 255 A N -0.509 122.355 122.820 0.075 0.000 1.902 255 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 255 A C 1.999 179.438 177.584 -0.240 0.000 1.181 255 A CA 1.895 53.878 52.037 -0.091 0.000 0.623 255 A CB -1.530 17.510 19.000 0.066 0.000 0.818 255 A HN 0.410 nan 8.150 nan 0.000 0.443 256 C N -0.686 118.509 119.300 -0.176 0.000 2.413 256 C HA -0.110 4.350 4.460 -0.000 0.000 0.276 256 C C 2.729 177.562 174.990 -0.262 0.000 1.248 256 C CA 1.472 60.368 59.018 -0.203 0.000 1.742 256 C CB -0.945 26.710 27.740 -0.142 0.000 2.017 256 C HN 0.704 nan 8.230 nan 0.000 0.481 257 K N 0.700 120.916 120.400 -0.306 0.000 2.057 257 K HA -0.189 4.130 4.320 -0.000 0.000 0.206 257 K C 1.982 178.327 176.600 -0.424 0.000 1.050 257 K CA 1.716 57.804 56.287 -0.332 0.000 0.935 257 K CB -0.209 32.091 32.500 -0.334 0.000 0.715 257 K HN 0.393 nan 8.250 nan 0.000 0.439 258 E N 0.852 120.659 120.200 -0.655 0.000 2.153 258 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 258 E C 1.685 178.069 176.600 -0.360 0.000 0.988 258 E CA 1.002 57.015 56.400 -0.645 0.000 0.811 258 E CB -0.040 29.034 29.700 -1.043 0.000 0.746 258 E HN 0.334 nan 8.360 nan 0.000 0.466 259 L N -1.175 119.863 121.223 -0.308 0.000 2.554 259 L HA 0.185 4.525 4.340 -0.000 0.000 0.226 259 L C 1.450 178.195 176.870 -0.207 0.000 1.137 259 L CA 0.440 55.145 54.840 -0.224 0.000 0.863 259 L CB -0.205 41.721 42.059 -0.222 0.000 0.985 259 L HN 0.436 nan 8.230 nan 0.000 0.451 260 G N 0.036 108.706 108.800 -0.215 0.000 2.143 260 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.249 260 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.249 260 G C 0.782 175.575 174.900 -0.178 0.000 0.981 260 G CA 0.371 45.366 45.100 -0.174 0.000 0.665 260 G HN 0.334 nan 8.290 nan 0.000 0.528 261 L N -0.471 120.618 121.223 -0.224 0.000 2.179 261 L HA 0.281 4.621 4.340 -0.000 0.000 0.208 261 L C 1.607 178.378 176.870 -0.165 0.000 1.096 261 L CA 1.371 56.066 54.840 -0.242 0.000 0.779 261 L CB -0.059 41.782 42.059 -0.364 0.000 0.922 261 L HN 0.505 nan 8.230 nan 0.000 0.443 262 V N -5.371 114.454 119.914 -0.149 0.000 3.001 262 V HA 0.707 4.827 4.120 -0.000 0.000 0.314 262 V C 0.669 176.702 176.094 -0.102 0.000 1.099 262 V CA -0.367 61.870 62.300 -0.106 0.000 0.989 262 V CB 1.545 33.314 31.823 -0.089 0.000 1.040 262 V HN -0.068 nan 8.190 nan 0.000 0.434 263 A N 1.857 124.632 122.820 -0.074 0.000 1.930 263 A HA 0.344 4.664 4.320 -0.000 0.000 0.215 263 A C 1.318 178.863 177.584 -0.064 0.000 1.176 263 A CA 1.600 53.599 52.037 -0.065 0.000 0.632 263 A CB -0.438 18.535 19.000 -0.045 0.000 0.819 263 A HN 1.731 nan 8.150 nan 0.000 0.445 264 T N -2.342 112.179 114.554 -0.055 0.000 2.903 264 T HA 0.441 4.791 4.350 -0.000 0.000 0.299 264 T C -0.705 173.971 174.700 -0.040 0.000 1.093 264 T CA 0.054 62.128 62.100 -0.043 0.000 1.002 264 T CB 1.869 70.724 68.868 -0.022 0.000 1.127 264 T HN 0.159 nan 8.240 nan 0.000 0.488 265 D N 0.794 121.181 120.400 -0.021 0.000 2.336 265 D HA 0.141 4.781 4.640 -0.000 0.000 0.228 265 D C 0.315 176.629 176.300 0.024 0.000 1.120 265 D CA -0.254 53.751 54.000 0.008 0.000 0.839 265 D CB -0.542 40.296 40.800 0.063 0.000 0.932 265 D HN 0.517 nan 8.370 nan 0.000 0.509 266 T N 0.841 115.400 114.554 0.009 0.000 2.940 266 T HA 0.335 4.685 4.350 -0.000 0.000 0.309 266 T C 0.381 175.082 174.700 0.002 0.000 1.056 266 T CA -0.009 62.096 62.100 0.008 0.000 1.137 266 T CB 0.774 69.643 68.868 0.001 0.000 0.976 266 T HN 0.050 nan 8.240 nan 0.000 0.547 267 L N 2.012 123.236 121.223 0.002 0.000 2.235 267 L HA 0.658 4.998 4.340 -0.000 0.000 0.260 267 L C 0.449 177.314 176.870 -0.009 0.000 1.025 267 L CA -1.183 53.653 54.840 -0.006 0.000 0.836 267 L CB 1.153 43.208 42.059 -0.007 0.000 1.395 267 L HN 0.409 nan 8.230 nan 0.000 0.443 268 R N 0.143 120.634 120.500 -0.015 0.000 2.589 268 R HA 0.605 4.945 4.340 -0.000 0.000 0.293 268 R C -1.177 175.112 176.300 -0.019 0.000 0.963 268 R CA -0.919 55.172 56.100 -0.016 0.000 0.905 268 R CB 1.324 31.613 30.300 -0.019 0.000 1.144 268 R HN 0.383 nan 8.270 nan 0.000 0.459 269 L N 4.112 125.324 121.223 -0.018 0.000 2.514 269 L HA 0.029 4.368 4.340 -0.000 0.000 0.280 269 L C -0.943 175.911 176.870 -0.027 0.000 1.223 269 L CA -0.742 54.086 54.840 -0.020 0.000 0.864 269 L CB 0.355 42.404 42.059 -0.017 0.000 1.118 269 L HN 0.502 nan 8.230 nan 0.000 0.494 270 P HA 0.040 nan 4.420 nan 0.000 0.257 270 P C -0.007 177.278 177.300 -0.025 0.000 1.281 270 P CA 0.115 63.199 63.100 -0.028 0.000 0.826 270 P CB 0.405 32.086 31.700 -0.033 0.000 1.237 271 M N 1.152 120.737 119.600 -0.025 0.000 2.239 271 M HA 0.165 4.645 4.480 -0.000 0.000 0.348 271 M C 0.970 177.261 176.300 -0.016 0.000 1.239 271 M CA 0.702 55.989 55.300 -0.021 0.000 1.114 271 M CB 0.247 32.834 32.600 -0.020 0.000 1.641 271 M HN 0.010 nan 8.290 nan 0.000 0.453 272 T N 1.012 115.556 114.554 -0.016 0.000 2.907 272 T HA 0.797 5.147 4.350 -0.000 0.000 0.290 272 T C -2.772 171.920 174.700 -0.012 0.000 1.066 272 T CA -1.900 60.192 62.100 -0.013 0.000 1.012 272 T CB 1.508 70.366 68.868 -0.016 0.000 1.184 272 T HN 0.315 nan 8.240 nan 0.000 0.522 273 P HA 0.266 nan 4.420 nan 0.000 0.269 273 P C 0.097 177.377 177.300 -0.033 0.000 1.215 273 P CA -0.622 62.475 63.100 -0.005 0.000 0.780 273 P CB 0.242 31.943 31.700 0.001 0.000 0.898 274 I N 1.398 121.940 120.570 -0.047 0.000 2.872 274 I HA -0.024 4.145 4.170 -0.000 0.000 0.291 274 I C 0.873 176.900 176.117 -0.149 0.000 1.216 274 I CA 0.459 61.684 61.300 -0.125 0.000 1.424 274 I CB 0.560 38.421 38.000 -0.231 0.000 1.351 274 I HN 0.470 nan 8.210 nan 0.000 0.592 275 T N 1.234 115.695 114.554 -0.156 0.000 2.862 275 T HA 0.158 4.508 4.350 -0.000 0.000 0.276 275 T C 0.701 175.287 174.700 -0.190 0.000 0.974 275 T CA -0.220 61.798 62.100 -0.137 0.000 0.966 275 T CB 1.327 70.135 68.868 -0.100 0.000 1.072 275 T HN 0.737 nan 8.240 nan 0.000 0.538 276 D N 0.244 120.556 120.400 -0.145 0.000 2.117 276 D HA -0.161 4.479 4.640 -0.000 0.000 0.197 276 D C 2.329 178.529 176.300 -0.168 0.000 0.987 276 D CA 1.980 55.889 54.000 -0.153 0.000 0.829 276 D CB -0.169 40.574 40.800 -0.095 0.000 0.961 276 D HN 0.653 nan 8.370 nan 0.000 0.460 277 S N -0.814 114.808 115.700 -0.131 0.000 2.382 277 S HA -0.096 4.374 4.470 -0.000 0.000 0.228 277 S C 2.298 176.804 174.600 -0.156 0.000 1.027 277 S CA 1.150 59.281 58.200 -0.116 0.000 0.991 277 S CB -1.152 62.000 63.200 -0.080 0.000 0.823 277 S HN 0.330 nan 8.310 nan 0.000 0.469 278 G N 2.171 110.855 108.800 -0.193 0.000 2.459 278 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.217 278 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.217 278 G C 1.677 176.331 174.900 -0.409 0.000 1.183 278 G CA 0.685 45.639 45.100 -0.244 0.000 0.776 278 G HN 0.524 nan 8.290 nan 0.000 0.552 279 R N 0.093 120.227 120.500 -0.610 0.000 2.096 279 R HA -0.084 4.256 4.340 -0.000 0.000 0.240 279 R C 2.562 178.526 176.300 -0.559 0.000 1.139 279 R CA 1.462 56.940 56.100 -1.037 0.000 0.952 279 R CB -0.234 29.557 30.300 -0.849 0.000 0.854 279 R HN 0.285 nan 8.270 nan 0.000 0.436 280 E N -0.198 119.830 120.200 -0.288 0.000 2.047 280 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 280 E C 2.178 178.730 176.600 -0.081 0.000 0.987 280 E CA 1.959 58.282 56.400 -0.129 0.000 0.799 280 E CB -0.512 29.135 29.700 -0.087 0.000 0.752 280 E HN 0.493 nan 8.360 nan 0.000 0.449 281 T N -0.902 113.594 114.554 -0.097 0.000 2.821 281 T HA -0.066 4.284 4.350 -0.000 0.000 0.267 281 T C 2.188 176.875 174.700 -0.023 0.000 1.046 281 T CA 1.236 63.306 62.100 -0.051 0.000 1.139 281 T CB -0.627 68.210 68.868 -0.051 0.000 0.871 281 T HN -0.046 nan 8.240 nan 0.000 0.454 282 V N 1.618 121.504 119.914 -0.046 0.000 2.358 282 V HA -0.065 4.055 4.120 -0.000 0.000 0.246 282 V C 2.977 179.175 176.094 0.174 0.000 1.047 282 V CA 1.866 64.201 62.300 0.059 0.000 1.035 282 V CB -0.807 31.070 31.823 0.091 0.000 0.658 282 V HN 0.466 nan 8.190 nan 0.000 0.452 283 R N 0.382 121.000 120.500 0.196 0.000 2.073 283 R HA -0.182 4.158 4.340 -0.000 0.000 0.234 283 R C 2.334 178.717 176.300 0.138 0.000 1.134 283 R CA 1.765 58.021 56.100 0.260 0.000 0.952 283 R CB -0.479 29.982 30.300 0.268 0.000 0.850 283 R HN 0.474 nan 8.270 nan 0.000 0.433 284 A N 0.696 123.568 122.820 0.086 0.000 1.908 284 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 284 A C 2.349 179.989 177.584 0.093 0.000 1.181 284 A CA 1.823 53.906 52.037 0.075 0.000 0.627 284 A CB -0.768 18.261 19.000 0.047 0.000 0.818 284 A HN 0.565 nan 8.150 nan 0.000 0.445 285 A N -0.380 122.483 122.820 0.070 0.000 1.898 285 A HA -0.005 4.315 4.320 -0.000 0.000 0.216 285 A C 2.166 179.806 177.584 0.092 0.000 1.181 285 A CA 1.426 53.496 52.037 0.056 0.000 0.620 285 A CB -0.569 18.443 19.000 0.021 0.000 0.819 285 A HN 0.474 nan 8.150 nan 0.000 0.442 286 L N -0.752 120.528 121.223 0.095 0.000 2.046 286 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 286 L C 2.636 179.552 176.870 0.076 0.000 1.077 286 L CA 1.965 56.853 54.840 0.080 0.000 0.747 286 L CB -0.404 41.701 42.059 0.077 0.000 0.896 286 L HN 0.433 nan 8.230 nan 0.000 0.432 287 K N -0.896 119.555 120.400 0.086 0.000 2.057 287 K HA -0.252 4.067 4.320 -0.000 0.000 0.207 287 K C 2.352 178.996 176.600 0.074 0.000 1.049 287 K CA 1.231 57.558 56.287 0.067 0.000 0.931 287 K CB -0.182 32.357 32.500 0.065 0.000 0.714 287 K HN 0.313 nan 8.250 nan 0.000 0.440 288 H N -0.158 118.920 119.070 0.013 0.000 2.422 288 H HA -0.065 4.491 4.556 -0.000 0.000 0.298 288 H C 1.297 176.625 175.328 0.001 0.000 1.098 288 H CA 1.608 57.660 56.048 0.007 0.000 1.315 288 H CB 0.188 29.953 29.762 0.005 0.000 1.382 288 H HN 0.327 nan 8.280 nan 0.000 0.523 289 A N -0.375 122.529 122.820 0.140 0.000 2.238 289 A HA 0.232 4.552 4.320 -0.000 0.000 0.208 289 A C 1.862 179.462 177.584 0.028 0.000 1.177 289 A CA 0.961 53.047 52.037 0.081 0.000 0.804 289 A CB -0.415 18.626 19.000 0.068 0.000 0.823 289 A HN 0.593 nan 8.150 nan 0.000 0.482 290 G N -1.095 107.712 108.800 0.012 0.000 2.147 290 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.244 290 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.244 290 G C 0.600 175.506 174.900 0.009 0.000 1.005 290 G CA 0.564 45.663 45.100 -0.000 0.000 0.713 290 G HN 0.496 nan 8.290 nan 0.000 0.515 291 L N -1.453 119.781 121.223 0.017 0.000 2.513 291 L HA 0.516 4.856 4.340 -0.000 0.000 0.222 291 L C 1.451 178.319 176.870 -0.003 0.000 1.096 291 L CA 0.362 55.208 54.840 0.011 0.000 0.857 291 L CB 0.098 42.167 42.059 0.016 0.000 1.026 291 L HN 0.270 nan 8.230 nan 0.000 0.469 292 L N 0.000 121.226 121.223 0.004 0.000 2.949 292 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 292 L CA 0.000 54.840 54.840 -0.000 0.000 0.813 292 L CB 0.000 42.065 42.059 0.010 0.000 0.961 292 L HN 0.000 nan 8.230 nan 0.000 0.502