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 2dcu_1_A DATA FIRST_RESID 6 DATA SEQUENCE KTRQAEVNIG MVGHVDHGKT TLTKALTGVW TDTHSEELRR GITIKIGFAD DATA SEQUENCE AEIRRCSNCG RYSTSPICPY CGHETEFIRR VSFIDSPGHE ALMTTMLAGA DATA SEQUENCE SLMDGAILVI AANEPCPRPQ TREHLMALQI IGQKNIIIAQ NKIELVDKEK DATA SEQUENCE ALENYRQIKE FIKGTVAENA PIIPISALHG ANIDVLVKAI EEFIPTPKRD DATA SEQUENCE SNKPPKMLVL RSFDVNKPGT PPEKLVGGVL DGSIVQGKLK VGDEIEIRPG DATA SEQUENCE VPYEEHGRIK YEPITTEIVS LQAGGQFVEE AYPGGLVGIG TKLDPYLTKG DATA SEQUENCE DLMAGNVVGK PGKLPPVWTD LRLEVHLLER VVGTEQELNV EPIKRKEVLL DATA SEQUENCE LNVGTARTMG LVTALGKDEI ELKLQIPVCA EPGERVAISR QIGSRWRLIG DATA SEQUENCE YGIIKEL 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 6 K HA 0.000 nan 4.320 nan 0.000 0.191 6 K C 0.000 176.568 176.600 -0.053 0.000 0.988 6 K CA 0.000 56.258 56.287 -0.049 0.000 0.838 6 K CB 0.000 32.280 32.500 -0.367 0.000 1.064 7 T N 0.779 115.281 114.554 -0.088 0.000 2.948 7 T HA 0.461 4.812 4.350 0.001 0.000 0.285 7 T C 0.639 175.270 174.700 -0.116 0.000 1.019 7 T CA -0.877 61.191 62.100 -0.053 0.000 1.013 7 T CB 1.492 70.390 68.868 0.050 0.000 1.117 7 T HN 0.430 nan 8.240 nan 0.000 0.533 8 R N 0.442 120.855 120.500 -0.145 0.000 2.391 8 R HA 0.078 4.418 4.340 0.001 0.000 0.249 8 R C 0.998 177.273 176.300 -0.041 0.000 0.957 8 R CA -0.190 55.792 56.100 -0.196 0.000 1.093 8 R CB -0.008 29.942 30.300 -0.583 0.000 1.156 8 R HN 0.674 nan 8.270 nan 0.000 0.526 9 Q N 0.241 120.026 119.800 -0.026 0.000 2.651 9 Q HA 0.228 4.569 4.340 0.001 0.000 0.224 9 Q C -0.304 175.711 176.000 0.025 0.000 1.094 9 Q CA -0.231 55.576 55.803 0.007 0.000 1.018 9 Q CB 0.487 29.250 28.738 0.041 0.000 1.292 9 Q HN 0.044 nan 8.270 nan 0.000 0.588 10 A N 0.953 123.785 122.820 0.020 0.000 2.548 10 A HA -0.011 4.310 4.320 0.001 0.000 0.247 10 A C 0.223 177.811 177.584 0.006 0.000 1.067 10 A CA 0.091 52.133 52.037 0.009 0.000 0.757 10 A CB -0.068 18.942 19.000 0.017 0.000 0.996 10 A HN 0.886 nan 8.150 nan 0.000 0.504 11 E N 0.631 120.821 120.200 -0.016 0.000 2.415 11 E HA 0.177 4.527 4.350 0.001 0.000 0.197 11 E C 0.004 176.589 176.600 -0.026 0.000 1.007 11 E CA 0.765 57.151 56.400 -0.023 0.000 0.890 11 E CB 0.496 30.176 29.700 -0.034 0.000 0.891 11 E HN 0.725 nan 8.360 nan 0.000 0.496 12 V N -1.145 118.740 119.914 -0.048 0.000 2.969 12 V HA 0.452 4.573 4.120 0.001 0.000 0.304 12 V C -1.375 174.665 176.094 -0.090 0.000 1.192 12 V CA -1.359 60.906 62.300 -0.058 0.000 0.962 12 V CB 1.975 33.754 31.823 -0.073 0.000 1.045 12 V HN -0.119 nan 8.190 nan 0.000 0.428 13 N N 3.347 122.010 118.700 -0.062 0.000 2.439 13 N HA 0.601 5.342 4.740 0.001 0.000 0.249 13 N C -0.686 174.736 175.510 -0.146 0.000 1.003 13 N CA -0.146 52.852 53.050 -0.087 0.000 0.942 13 N CB 1.366 39.850 38.487 -0.006 0.000 1.115 13 N HN 0.793 nan 8.380 nan 0.000 0.505 14 I N 0.834 121.253 120.570 -0.251 0.000 2.321 14 I HA 0.321 4.492 4.170 0.001 0.000 0.291 14 I C 1.150 177.203 176.117 -0.108 0.000 0.998 14 I CA -0.859 60.316 61.300 -0.207 0.000 1.227 14 I CB 1.389 39.178 38.000 -0.351 0.000 1.368 14 I HN 0.325 nan 8.210 nan 0.000 0.466 15 G N 7.236 115.996 108.800 -0.067 0.000 2.372 15 G HA2 0.454 4.415 3.960 0.001 0.000 0.283 15 G HA3 0.454 4.415 3.960 0.001 0.000 0.283 15 G C -0.160 174.738 174.900 -0.003 0.000 1.177 15 G CA -0.635 44.428 45.100 -0.062 0.000 0.842 15 G HN 0.367 nan 8.290 nan 0.000 0.503 16 M N 3.116 122.716 119.600 -0.001 0.000 2.111 16 M HA 0.261 4.741 4.480 0.001 0.000 0.351 16 M C 0.044 176.300 176.300 -0.073 0.000 1.214 16 M CA -0.742 54.564 55.300 0.010 0.000 1.120 16 M CB 0.232 32.845 32.600 0.021 0.000 1.443 16 M HN 0.381 nan 8.290 nan 0.000 0.429 17 V N 0.841 120.709 119.914 -0.076 0.000 2.914 17 V HA 1.155 5.276 4.120 0.001 0.000 0.314 17 V C -0.022 176.084 176.094 0.020 0.000 1.084 17 V CA -0.326 61.867 62.300 -0.179 0.000 0.963 17 V CB 1.826 33.474 31.823 -0.291 0.000 1.025 17 V HN 0.943 nan 8.190 nan 0.000 0.432 18 G N 0.885 109.794 108.800 0.182 0.000 2.327 18 G HA2 0.214 4.175 3.960 0.001 0.000 0.291 18 G HA3 0.214 4.175 3.960 0.001 0.000 0.291 18 G C -1.062 173.981 174.900 0.238 0.000 1.290 18 G CA -0.382 44.885 45.100 0.277 0.000 0.857 18 G HN 1.289 nan 8.290 nan 0.000 0.520 19 H N -0.993 117.957 119.070 -0.199 0.000 2.830 19 H HA 0.171 4.728 4.556 0.001 0.000 0.382 19 H C 0.956 176.191 175.328 -0.155 0.000 1.423 19 H CA 0.979 56.804 56.048 -0.371 0.000 1.464 19 H CB 1.405 30.570 29.762 -0.995 0.000 1.495 19 H HN 0.236 nan 8.280 nan 0.000 0.617 20 V N 1.992 121.402 119.914 -0.841 0.000 3.636 20 V HA -0.030 4.090 4.120 0.001 0.000 0.279 20 V C 0.153 176.180 176.094 -0.112 0.000 1.263 20 V CA 1.411 63.488 62.300 -0.372 0.000 1.182 20 V CB -0.446 31.143 31.823 -0.389 0.000 0.955 20 V HN 0.660 nan 8.190 nan 0.000 0.443 21 D N -2.571 117.878 120.400 0.081 0.000 2.475 21 D HA 0.083 4.723 4.640 0.001 0.000 0.306 21 D C 1.277 177.744 176.300 0.279 0.000 1.304 21 D CA -0.156 53.958 54.000 0.190 0.000 0.862 21 D CB 0.223 41.159 40.800 0.226 0.000 1.306 21 D HN 0.520 nan 8.370 nan 0.000 0.494 22 H N 0.524 119.674 119.070 0.134 0.000 2.543 22 H HA 0.087 4.643 4.556 0.001 0.000 0.286 22 H C 1.287 176.640 175.328 0.041 0.000 1.037 22 H CA 0.910 57.004 56.048 0.078 0.000 1.250 22 H CB 0.574 30.390 29.762 0.089 0.000 1.373 22 H HN 0.232 nan 8.280 nan 0.000 0.580 23 G N 0.767 109.658 108.800 0.151 0.000 2.157 23 G HA2 -0.213 3.748 3.960 0.001 0.000 0.118 23 G HA3 -0.213 3.748 3.960 0.001 0.000 0.118 23 G C 0.990 175.911 174.900 0.035 0.000 1.032 23 G CA 0.166 45.306 45.100 0.067 0.000 0.697 23 G HN 0.411 nan 8.290 nan 0.000 0.495 24 K N -0.496 119.928 120.400 0.040 0.000 2.026 24 K HA -0.056 4.265 4.320 0.001 0.000 0.208 24 K C 2.159 178.742 176.600 -0.027 0.000 1.048 24 K CA 1.820 58.111 56.287 0.007 0.000 0.929 24 K CB -0.558 31.946 32.500 0.008 0.000 0.713 24 K HN 0.179 nan 8.250 nan 0.000 0.439 25 T N 1.114 115.656 114.554 -0.019 0.000 2.867 25 T HA -0.087 4.263 4.350 0.001 0.000 0.268 25 T C 1.901 176.575 174.700 -0.044 0.000 1.057 25 T CA 1.701 63.783 62.100 -0.031 0.000 1.136 25 T CB -0.349 68.510 68.868 -0.015 0.000 0.874 25 T HN 0.349 nan 8.240 nan 0.000 0.466 26 T N 2.315 116.845 114.554 -0.039 0.000 2.701 26 T HA -0.001 4.350 4.350 0.001 0.000 0.263 26 T C 1.895 176.550 174.700 -0.074 0.000 1.040 26 T CA 0.807 62.877 62.100 -0.049 0.000 1.147 26 T CB -0.476 68.367 68.868 -0.043 0.000 0.865 26 T HN 0.140 nan 8.240 nan 0.000 0.426 27 L N 1.061 122.235 121.223 -0.081 0.000 2.079 27 L HA -0.112 4.228 4.340 0.001 0.000 0.210 27 L C 2.437 179.187 176.870 -0.200 0.000 1.081 27 L CA 1.789 56.560 54.840 -0.115 0.000 0.752 27 L CB -1.100 40.901 42.059 -0.097 0.000 0.896 27 L HN 0.216 nan 8.230 nan 0.000 0.433 28 T N -0.369 114.056 114.554 -0.214 0.000 2.614 28 T HA -0.211 4.139 4.350 0.001 0.000 0.263 28 T C 1.855 176.437 174.700 -0.197 0.000 1.055 28 T CA 1.835 63.752 62.100 -0.304 0.000 1.162 28 T CB -0.203 68.555 68.868 -0.184 0.000 0.863 28 T HN 0.328 nan 8.240 nan 0.000 0.414 29 K N 1.182 121.518 120.400 -0.106 0.000 2.034 29 K HA -0.135 4.185 4.320 0.001 0.000 0.214 29 K C 2.674 179.230 176.600 -0.072 0.000 1.051 29 K CA 1.417 57.666 56.287 -0.064 0.000 0.931 29 K CB -0.503 31.969 32.500 -0.047 0.000 0.715 29 K HN 0.308 nan 8.250 nan 0.000 0.446 30 A N 1.315 124.083 122.820 -0.086 0.000 1.958 30 A HA -0.186 4.135 4.320 0.001 0.000 0.221 30 A C 2.076 179.617 177.584 -0.073 0.000 1.178 30 A CA 1.593 53.582 52.037 -0.079 0.000 0.642 30 A CB -0.598 18.355 19.000 -0.078 0.000 0.816 30 A HN 0.226 nan 8.150 nan 0.000 0.453 31 L N -1.111 120.053 121.223 -0.098 0.000 2.416 31 L HA -0.010 4.331 4.340 0.001 0.000 0.216 31 L C 2.515 179.430 176.870 0.075 0.000 1.098 31 L CA 1.408 56.222 54.840 -0.043 0.000 0.840 31 L CB -0.211 41.746 42.059 -0.169 0.000 0.981 31 L HN 0.631 nan 8.230 nan 0.000 0.462 32 T N -4.924 109.655 114.554 0.042 0.000 2.990 32 T HA 0.116 4.466 4.350 0.001 0.000 0.250 32 T C 1.933 176.690 174.700 0.094 0.000 1.041 32 T CA 0.499 62.712 62.100 0.188 0.000 1.010 32 T CB 0.136 69.111 68.868 0.179 0.000 1.003 32 T HN 0.218 nan 8.240 nan 0.000 0.499 33 G N 1.866 110.659 108.800 -0.011 0.000 2.624 33 G HA2 -0.263 3.698 3.960 0.001 0.000 0.221 33 G HA3 -0.263 3.698 3.960 0.001 0.000 0.221 33 G C 1.427 176.256 174.900 -0.119 0.000 1.169 33 G CA 1.213 46.280 45.100 -0.054 0.000 0.771 33 G HN 0.520 nan 8.290 nan 0.000 0.598 34 V N -0.148 119.589 119.914 -0.294 0.000 3.546 34 V HA 0.150 4.271 4.120 0.001 0.000 0.272 34 V C 0.249 175.935 176.094 -0.680 0.000 1.228 34 V CA 0.491 62.462 62.300 -0.547 0.000 1.184 34 V CB -0.628 30.716 31.823 -0.800 0.000 0.886 34 V HN 0.518 nan 8.190 nan 0.000 0.508 35 W N -0.769 120.560 121.300 0.048 0.000 1.380 35 W HA 0.451 5.112 4.660 0.002 0.000 0.298 35 W C 0.148 176.700 176.519 0.056 0.000 0.837 35 W CA -0.526 56.856 57.345 0.062 0.000 2.343 35 W CB 0.878 30.390 29.460 0.088 0.000 2.070 35 W HN -0.085 nan 8.180 nan 0.000 0.500 36 T N 0.757 115.422 114.554 0.186 0.000 3.160 36 T HA 0.012 4.363 4.350 0.001 0.000 0.344 36 T C 0.305 175.051 174.700 0.076 0.000 0.981 36 T CA -0.470 61.706 62.100 0.127 0.000 1.170 36 T CB 0.683 69.607 68.868 0.092 0.000 1.016 36 T HN 0.122 nan 8.240 nan 0.000 0.492 37 D N 1.333 121.785 120.400 0.086 0.000 2.414 37 D HA 0.044 4.685 4.640 0.001 0.000 0.237 37 D C 0.849 177.171 176.300 0.036 0.000 0.975 37 D CA 0.533 54.567 54.000 0.057 0.000 0.917 37 D CB -0.062 40.783 40.800 0.074 0.000 1.061 37 D HN 0.533 nan 8.370 nan 0.000 0.480 38 T N -2.831 111.754 114.554 0.052 0.000 2.879 38 T HA 0.405 4.756 4.350 0.001 0.000 0.290 38 T C -0.288 174.468 174.700 0.092 0.000 0.993 38 T CA -0.663 61.464 62.100 0.044 0.000 0.975 38 T CB 1.385 70.298 68.868 0.075 0.000 0.981 38 T HN 0.262 nan 8.240 nan 0.000 0.439 39 H N 0.091 119.171 119.070 0.017 0.000 2.931 39 H HA -0.138 4.419 4.556 0.001 0.000 0.290 39 H C -0.664 174.673 175.328 0.016 0.000 1.264 39 H CA 0.992 57.046 56.048 0.011 0.000 1.140 39 H CB -1.535 28.224 29.762 -0.004 0.000 1.343 39 H HN 0.786 nan 8.280 nan 0.000 0.403 40 S N 0.848 116.562 115.700 0.024 0.000 2.325 40 S HA 0.140 4.611 4.470 0.001 0.000 0.228 40 S C -0.315 174.295 174.600 0.017 0.000 0.942 40 S CA -0.784 57.442 58.200 0.043 0.000 1.070 40 S CB 1.427 64.669 63.200 0.071 0.000 1.232 40 S HN 0.260 nan 8.310 nan 0.000 0.405 41 E N 2.407 122.606 120.200 -0.000 0.000 2.404 41 E HA 0.070 4.421 4.350 0.001 0.000 0.261 41 E C 1.482 178.091 176.600 0.016 0.000 1.074 41 E CA -0.319 56.077 56.400 -0.006 0.000 0.917 41 E CB 0.417 30.108 29.700 -0.014 0.000 0.965 41 E HN 0.685 nan 8.360 nan 0.000 0.433 42 E N 2.792 123.000 120.200 0.014 0.000 2.355 42 E HA -0.269 4.081 4.350 0.001 0.000 0.209 42 E C -0.088 176.535 176.600 0.037 0.000 1.050 42 E CA 1.315 57.730 56.400 0.026 0.000 0.843 42 E CB 0.032 29.736 29.700 0.007 0.000 0.742 42 E HN 0.235 nan 8.360 nan 0.000 0.489 43 L N 0.368 121.610 121.223 0.033 0.000 2.549 43 L HA 0.399 4.740 4.340 0.001 0.000 0.259 43 L C -0.896 175.998 176.870 0.039 0.000 0.934 43 L CA -0.821 54.042 54.840 0.038 0.000 0.865 43 L CB 2.151 44.223 42.059 0.021 0.000 1.352 43 L HN 0.227 nan 8.230 nan 0.000 0.410 44 R N 2.174 122.705 120.500 0.051 0.000 2.634 44 R HA 0.586 4.927 4.340 0.001 0.000 0.263 44 R C -1.578 174.756 176.300 0.057 0.000 1.060 44 R CA -1.006 55.125 56.100 0.052 0.000 0.898 44 R CB 1.101 31.437 30.300 0.061 0.000 1.253 44 R HN 0.624 nan 8.270 nan 0.000 0.461 45 R N 0.638 121.167 120.500 0.048 0.000 2.549 45 R HA 0.777 5.118 4.340 0.001 0.000 0.259 45 R C 0.828 177.164 176.300 0.059 0.000 1.095 45 R CA -0.444 55.684 56.100 0.047 0.000 1.148 45 R CB 0.576 30.894 30.300 0.029 0.000 1.181 45 R HN 0.760 nan 8.270 nan 0.000 0.571 46 G N -0.035 108.800 108.800 0.059 0.000 2.773 46 G HA2 0.287 4.248 3.960 0.001 0.000 0.186 46 G HA3 0.287 4.248 3.960 0.001 0.000 0.186 46 G C 0.095 175.018 174.900 0.038 0.000 1.411 46 G CA -0.494 44.644 45.100 0.064 0.000 1.054 46 G HN 0.484 nan 8.290 nan 0.000 0.579 47 I N -1.099 119.488 120.570 0.028 0.000 5.955 47 I HA 0.160 4.331 4.170 0.001 0.000 0.214 47 I C 2.634 178.743 176.117 -0.012 0.000 0.896 47 I CA 1.487 62.785 61.300 -0.005 0.000 1.593 47 I CB -0.060 37.918 38.000 -0.037 0.000 1.367 47 I HN 0.441 nan 8.210 nan 0.000 0.446 48 T N 0.536 115.072 114.554 -0.029 0.000 2.894 48 T HA 0.161 4.512 4.350 0.001 0.000 0.258 48 T C 1.016 175.700 174.700 -0.027 0.000 1.043 48 T CA 0.681 62.759 62.100 -0.037 0.000 1.141 48 T CB -0.305 68.524 68.868 -0.064 0.000 0.873 48 T HN 0.253 nan 8.240 nan 0.000 0.449 49 I N 2.677 123.238 120.570 -0.016 0.000 2.293 49 I HA 0.149 4.319 4.170 0.001 0.000 0.299 49 I C 1.022 177.149 176.117 0.017 0.000 1.153 49 I CA -0.232 61.065 61.300 -0.005 0.000 1.302 49 I CB 0.374 38.380 38.000 0.009 0.000 1.460 49 I HN -0.027 nan 8.210 nan 0.000 0.552 50 K N 6.414 126.819 120.400 0.008 0.000 2.809 50 K HA -0.013 4.308 4.320 0.001 0.000 0.224 50 K C 0.709 177.327 176.600 0.030 0.000 0.946 50 K CA 0.072 56.371 56.287 0.021 0.000 1.059 50 K CB -0.343 32.166 32.500 0.014 0.000 0.877 50 K HN 0.601 nan 8.250 nan 0.000 0.478 51 I N 0.283 120.879 120.570 0.043 0.000 2.752 51 I HA 0.032 4.203 4.170 0.001 0.000 0.287 51 I C 0.168 176.350 176.117 0.109 0.000 1.188 51 I CA 0.260 61.584 61.300 0.039 0.000 1.427 51 I CB 0.504 38.552 38.000 0.080 0.000 1.365 51 I HN 0.205 nan 8.210 nan 0.000 0.585 52 G N 6.490 115.306 108.800 0.026 0.000 2.643 52 G HA2 0.584 4.545 3.960 0.001 0.000 0.305 52 G HA3 0.584 4.545 3.960 0.001 0.000 0.305 52 G C -1.538 173.380 174.900 0.030 0.000 1.387 52 G CA -0.437 44.736 45.100 0.120 0.000 0.982 52 G HN 0.424 nan 8.290 nan 0.000 0.501 53 F N 1.494 121.481 119.950 0.061 0.000 2.411 53 F HA 0.654 5.182 4.527 0.001 0.000 0.352 53 F C 0.595 176.454 175.800 0.098 0.000 1.123 53 F CA -0.836 57.208 58.000 0.073 0.000 1.044 53 F CB 2.384 41.415 39.000 0.052 0.000 1.135 53 F HN 0.585 nan 8.300 nan 0.000 0.461 54 A N 3.249 126.212 122.820 0.239 0.000 2.311 54 A HA 0.614 4.935 4.320 0.001 0.000 0.306 54 A C -0.941 176.825 177.584 0.304 0.000 1.189 54 A CA -0.749 51.438 52.037 0.250 0.000 0.791 54 A CB 0.480 19.606 19.000 0.211 0.000 1.172 54 A HN 0.621 nan 8.150 nan 0.000 0.481 55 D N 1.027 121.582 120.400 0.258 0.000 2.313 55 D HA 0.680 5.321 4.640 0.001 0.000 0.247 55 D C 0.073 176.538 176.300 0.274 0.000 1.094 55 D CA 0.809 54.931 54.000 0.204 0.000 0.925 55 D CB 1.556 42.427 40.800 0.119 0.000 1.188 55 D HN 0.848 nan 8.370 nan 0.000 0.430 56 A N 1.355 124.259 122.820 0.140 0.000 2.513 56 A HA 0.376 4.697 4.320 0.001 0.000 0.296 56 A C -1.048 176.418 177.584 -0.196 0.000 1.052 56 A CA -0.722 51.414 52.037 0.165 0.000 0.714 56 A CB 1.085 20.410 19.000 0.541 0.000 1.279 56 A HN 0.473 nan 8.150 nan 0.000 0.397 57 E N 2.246 122.083 120.200 -0.605 0.000 2.046 57 E HA 0.332 4.683 4.350 0.001 0.000 0.279 57 E C -0.620 175.914 176.600 -0.110 0.000 0.989 57 E CA -0.271 55.851 56.400 -0.464 0.000 0.798 57 E CB 0.961 30.189 29.700 -0.787 0.000 1.086 57 E HN 0.587 nan 8.360 nan 0.000 0.399 58 I N 4.913 125.384 120.570 -0.165 0.000 2.505 58 I HA 0.049 4.220 4.170 0.001 0.000 0.287 58 I C 0.569 176.604 176.117 -0.138 0.000 1.104 58 I CA 0.497 61.776 61.300 -0.035 0.000 1.387 58 I CB 0.034 38.030 38.000 -0.007 0.000 1.404 58 I HN 0.312 nan 8.210 nan 0.000 0.528 59 R N 6.121 126.610 120.500 -0.019 0.000 2.888 59 R HA 0.638 4.979 4.340 0.001 0.000 0.266 59 R C -0.564 175.586 176.300 -0.250 0.000 1.020 59 R CA -1.080 54.960 56.100 -0.101 0.000 0.963 59 R CB 2.326 32.648 30.300 0.037 0.000 1.197 59 R HN 0.507 nan 8.270 nan 0.000 0.481 60 R N 1.214 121.497 120.500 -0.361 0.000 2.393 60 R HA 0.230 4.571 4.340 0.001 0.000 0.315 60 R C -0.885 175.278 176.300 -0.228 0.000 0.952 60 R CA -0.442 55.318 56.100 -0.568 0.000 0.842 60 R CB 1.511 31.360 30.300 -0.751 0.000 1.163 60 R HN 0.732 nan 8.270 nan 0.000 0.450 61 C N 4.435 123.652 119.300 -0.137 0.000 2.657 61 C HA 0.056 4.517 4.460 0.001 0.000 0.404 61 C C 1.896 176.854 174.990 -0.054 0.000 1.369 61 C CA 0.083 59.083 59.018 -0.030 0.000 1.665 61 C CB -0.449 27.313 27.740 0.037 0.000 2.453 61 C HN 0.958 nan 8.230 nan 0.000 0.599 62 S N 3.997 119.678 115.700 -0.031 0.000 2.447 62 S HA -0.162 4.308 4.470 0.001 0.000 0.233 62 S C 1.540 176.100 174.600 -0.066 0.000 1.006 62 S CA 1.584 59.763 58.200 -0.037 0.000 0.957 62 S CB -0.354 62.844 63.200 -0.004 0.000 0.773 62 S HN 0.906 nan 8.310 nan 0.000 0.507 63 N N 1.282 119.915 118.700 -0.112 0.000 2.258 63 N HA -0.030 4.711 4.740 0.001 0.000 0.183 63 N C 1.951 177.376 175.510 -0.142 0.000 1.029 63 N CA 1.535 54.459 53.050 -0.211 0.000 0.857 63 N CB -0.416 37.742 38.487 -0.548 0.000 1.008 63 N HN 0.660 nan 8.380 nan 0.000 0.433 64 C N -2.167 117.072 119.300 -0.102 0.000 2.590 64 C HA 0.609 5.070 4.460 0.001 0.000 0.272 64 C C 1.684 176.638 174.990 -0.061 0.000 1.338 64 C CA 0.233 59.204 59.018 -0.078 0.000 1.746 64 C CB -0.521 27.176 27.740 -0.072 0.000 2.020 64 C HN 0.527 nan 8.230 nan 0.000 0.531 65 G N 0.889 109.659 108.800 -0.049 0.000 2.141 65 G HA2 -0.170 3.791 3.960 0.001 0.000 0.242 65 G HA3 -0.170 3.791 3.960 0.001 0.000 0.242 65 G C 0.013 174.922 174.900 0.015 0.000 0.982 65 G CA 0.032 45.117 45.100 -0.026 0.000 0.662 65 G HN 0.721 nan 8.290 nan 0.000 0.527 66 R N -0.852 119.647 120.500 -0.001 0.000 2.536 66 R HA 0.597 4.938 4.340 0.001 0.000 0.279 66 R C -0.502 175.883 176.300 0.142 0.000 1.001 66 R CA -0.624 55.523 56.100 0.078 0.000 1.027 66 R CB 0.796 31.029 30.300 -0.112 0.000 1.096 66 R HN 0.164 nan 8.270 nan 0.000 0.502 67 Y N 0.041 120.381 120.300 0.066 0.000 2.376 67 Y HA 0.283 4.834 4.550 0.001 0.000 0.325 67 Y C 0.887 176.882 175.900 0.158 0.000 1.199 67 Y CA -0.026 58.132 58.100 0.097 0.000 1.206 67 Y CB 1.733 40.233 38.460 0.067 0.000 1.229 67 Y HN 0.745 nan 8.280 nan 0.000 0.480 68 S N -0.972 114.895 115.700 0.279 0.000 2.703 68 S HA 0.298 4.769 4.470 0.001 0.000 0.273 68 S C -0.282 174.447 174.600 0.216 0.000 1.178 68 S CA -0.365 57.974 58.200 0.231 0.000 0.838 68 S CB 1.465 64.779 63.200 0.190 0.000 1.178 68 S HN 0.518 nan 8.310 nan 0.000 0.494 69 T N 0.608 115.287 114.554 0.208 0.000 3.174 69 T HA 0.459 4.810 4.350 0.001 0.000 0.269 69 T C 0.071 174.967 174.700 0.327 0.000 1.017 69 T CA 0.417 62.704 62.100 0.311 0.000 0.899 69 T CB -0.759 68.288 68.868 0.298 0.000 1.077 69 T HN 0.920 nan 8.240 nan 0.000 0.552 70 S N 0.387 116.199 115.700 0.186 0.000 2.532 70 S HA 0.598 5.069 4.470 0.001 0.000 0.301 70 S C -2.151 172.526 174.600 0.128 0.000 1.083 70 S CA -1.440 56.803 58.200 0.072 0.000 1.025 70 S CB 1.979 65.161 63.200 -0.031 0.000 1.056 70 S HN -0.051 nan 8.310 nan 0.000 0.494 71 P HA 0.117 nan 4.420 nan 0.000 0.216 71 P C -0.252 177.096 177.300 0.081 0.000 1.153 71 P CA 1.061 64.239 63.100 0.129 0.000 0.848 71 P CB 0.054 31.793 31.700 0.064 0.000 0.787 72 I N -0.706 119.882 120.570 0.030 0.000 2.330 72 I HA 0.130 4.301 4.170 0.001 0.000 0.289 72 I C 0.340 176.478 176.117 0.034 0.000 1.001 72 I CA -1.204 60.115 61.300 0.032 0.000 1.193 72 I CB 0.887 38.886 38.000 -0.001 0.000 1.345 72 I HN -0.085 nan 8.210 nan 0.000 0.461 73 C N 9.564 128.914 119.300 0.083 0.000 2.106 73 C HA -0.033 4.427 4.460 0.001 0.000 0.402 73 C C -0.714 174.290 174.990 0.024 0.000 1.548 73 C CA -0.729 58.359 59.018 0.117 0.000 1.432 73 C CB -0.229 27.629 27.740 0.196 0.000 2.584 73 C HN 0.654 nan 8.230 nan 0.000 0.604 74 P HA -0.112 nan 4.420 nan 0.000 0.217 74 P C 0.369 177.431 177.300 -0.397 0.000 1.148 74 P CA 1.932 64.794 63.100 -0.398 0.000 0.828 74 P CB -0.012 31.255 31.700 -0.722 0.000 0.783 75 Y N -0.951 119.372 120.300 0.039 0.000 2.254 75 Y HA -0.035 4.516 4.550 0.001 0.000 0.274 75 Y C 2.803 178.732 175.900 0.048 0.000 1.093 75 Y CA 0.732 58.855 58.100 0.037 0.000 1.105 75 Y CB -1.946 36.534 38.460 0.033 0.000 1.041 75 Y HN 0.024 nan 8.280 nan 0.000 0.489 76 C N -0.321 119.148 119.300 0.283 0.000 2.446 76 C HA 0.438 4.899 4.460 0.001 0.000 0.277 76 C C 2.293 177.418 174.990 0.225 0.000 1.275 76 C CA 0.555 59.700 59.018 0.212 0.000 1.727 76 C CB -0.873 26.966 27.740 0.164 0.000 2.010 76 C HN 0.941 nan 8.230 nan 0.000 0.486 77 G N -0.559 108.364 108.800 0.205 0.000 2.184 77 G HA2 -0.115 3.846 3.960 0.001 0.000 0.206 77 G HA3 -0.115 3.846 3.960 0.001 0.000 0.206 77 G C -0.179 174.782 174.900 0.102 0.000 0.995 77 G CA 0.293 45.464 45.100 0.118 0.000 0.651 77 G HN 0.744 nan 8.290 nan 0.000 0.511 78 H N 0.451 119.546 119.070 0.041 0.000 2.581 78 H HA 0.589 5.145 4.556 0.001 0.000 0.369 78 H C 0.624 175.974 175.328 0.036 0.000 1.351 78 H CA 0.102 56.171 56.048 0.034 0.000 1.434 78 H CB 0.412 30.194 29.762 0.033 0.000 1.558 78 H HN 0.337 nan 8.280 nan 0.000 0.608 79 E N 0.312 120.608 120.200 0.160 0.000 2.338 79 E HA 0.140 4.490 4.350 0.001 0.000 0.272 79 E C -0.200 176.465 176.600 0.109 0.000 1.029 79 E CA -0.419 56.045 56.400 0.107 0.000 0.872 79 E CB 0.564 30.313 29.700 0.083 0.000 1.015 79 E HN 0.666 nan 8.360 nan 0.000 0.417 80 T N 0.695 115.307 114.554 0.097 0.000 2.897 80 T HA 0.390 4.741 4.350 0.001 0.000 0.278 80 T C -0.043 174.701 174.700 0.074 0.000 0.981 80 T CA -0.960 61.183 62.100 0.072 0.000 0.973 80 T CB 1.128 70.040 68.868 0.074 0.000 1.092 80 T HN 0.344 nan 8.240 nan 0.000 0.543 81 E N -0.033 120.187 120.200 0.032 0.000 2.199 81 E HA 0.392 4.743 4.350 0.001 0.000 0.269 81 E C -1.287 175.354 176.600 0.068 0.000 0.899 81 E CA -0.790 55.645 56.400 0.059 0.000 0.772 81 E CB 1.781 31.494 29.700 0.022 0.000 1.155 81 E HN 0.582 nan 8.360 nan 0.000 0.408 82 F N 3.345 123.291 119.950 -0.006 0.000 2.538 82 F HA 0.126 4.654 4.527 0.001 0.000 0.371 82 F C 0.435 176.219 175.800 -0.027 0.000 1.087 82 F CA 0.450 58.439 58.000 -0.019 0.000 1.250 82 F CB 0.320 39.300 39.000 -0.032 0.000 1.110 82 F HN 0.475 nan 8.300 nan 0.000 0.570 83 I N 3.711 123.924 120.570 -0.594 0.000 3.971 83 I HA 0.249 4.420 4.170 0.001 0.000 0.303 83 I C 0.340 176.175 176.117 -0.470 0.000 1.233 83 I CA -0.164 60.951 61.300 -0.309 0.000 1.346 83 I CB 0.411 38.315 38.000 -0.160 0.000 1.273 83 I HN 0.547 nan 8.210 nan 0.000 0.448 84 R N 0.732 120.599 120.500 -1.056 0.000 2.765 84 R HA 0.428 4.769 4.340 0.001 0.000 0.277 84 R C -1.577 174.308 176.300 -0.691 0.000 1.028 84 R CA -0.715 55.000 56.100 -0.641 0.000 0.860 84 R CB 1.968 32.135 30.300 -0.223 0.000 1.270 84 R HN -0.063 nan 8.270 nan 0.000 0.484 85 R N 1.935 122.341 120.500 -0.157 0.000 2.480 85 R HA 0.575 4.915 4.340 0.001 0.000 0.306 85 R C -1.181 175.066 176.300 -0.088 0.000 0.958 85 R CA -0.523 55.528 56.100 -0.082 0.000 0.861 85 R CB 1.755 32.124 30.300 0.116 0.000 1.171 85 R HN 0.451 nan 8.270 nan 0.000 0.445 86 V N -0.012 119.828 119.914 -0.124 0.000 3.126 86 V HA 0.797 4.918 4.120 0.001 0.000 0.314 86 V C -0.881 175.110 176.094 -0.170 0.000 1.138 86 V CA -0.827 61.368 62.300 -0.174 0.000 1.034 86 V CB 2.066 33.717 31.823 -0.287 0.000 1.075 86 V HN 0.671 nan 8.190 nan 0.000 0.442 87 S N 0.677 116.236 115.700 -0.235 0.000 2.672 87 S HA 0.772 5.242 4.470 0.001 0.000 0.291 87 S C -1.277 173.166 174.600 -0.261 0.000 1.145 87 S CA -0.422 57.714 58.200 -0.106 0.000 1.013 87 S CB 0.610 63.863 63.200 0.090 0.000 1.017 87 S HN 0.565 nan 8.310 nan 0.000 0.487 88 F N 3.862 123.805 119.950 -0.012 0.000 2.385 88 F HA 0.532 5.060 4.527 0.002 0.000 0.336 88 F C 0.520 176.208 175.800 -0.187 0.000 1.100 88 F CA -0.753 57.203 58.000 -0.073 0.000 1.116 88 F CB 0.917 39.897 39.000 -0.033 0.000 1.166 88 F HN 0.395 nan 8.300 nan 0.000 0.511 89 I N 3.121 123.621 120.570 -0.116 0.000 2.347 89 I HA 0.167 4.338 4.170 0.001 0.000 0.283 89 I C -0.559 175.462 176.117 -0.160 0.000 1.058 89 I CA -0.320 60.774 61.300 -0.342 0.000 1.202 89 I CB 0.481 38.188 38.000 -0.488 0.000 1.386 89 I HN 0.506 nan 8.210 nan 0.000 0.475 90 D N 4.168 124.506 120.400 -0.104 0.000 2.228 90 D HA 0.505 5.146 4.640 0.001 0.000 0.247 90 D C -0.928 175.336 176.300 -0.060 0.000 0.995 90 D CA -0.202 53.763 54.000 -0.059 0.000 0.903 90 D CB 2.130 42.916 40.800 -0.022 0.000 1.205 90 D HN 0.321 nan 8.370 nan 0.000 0.459 91 S N 2.191 117.861 115.700 -0.050 0.000 2.599 91 S HA 0.422 4.893 4.470 0.001 0.000 0.269 91 S C -2.979 171.609 174.600 -0.019 0.000 1.135 91 S CA -1.000 57.180 58.200 -0.034 0.000 1.027 91 S CB 1.240 64.410 63.200 -0.050 0.000 1.129 91 S HN 0.156 nan 8.310 nan 0.000 0.458 92 P HA 0.529 nan 4.420 nan 0.000 0.276 92 P C -0.166 177.141 177.300 0.012 0.000 1.253 92 P CA 0.519 63.622 63.100 0.005 0.000 0.766 92 P CB 0.824 32.529 31.700 0.008 0.000 0.845 93 G N 2.553 111.366 108.800 0.022 0.000 2.781 93 G HA2 -0.129 3.832 3.960 0.001 0.000 0.468 93 G HA3 -0.129 3.832 3.960 0.001 0.000 0.468 93 G C 0.328 175.261 174.900 0.054 0.000 1.186 93 G CA -0.457 44.665 45.100 0.036 0.000 1.220 93 G HN 0.583 nan 8.290 nan 0.000 0.564 94 H N 0.928 120.000 119.070 0.004 0.000 2.437 94 H HA -0.180 4.377 4.556 0.001 0.000 0.296 94 H C 2.024 177.397 175.328 0.075 0.000 1.121 94 H CA 3.067 59.143 56.048 0.046 0.000 1.255 94 H CB 0.332 30.076 29.762 -0.030 0.000 1.366 94 H HN 0.650 nan 8.280 nan 0.000 0.512 95 E N -0.250 119.876 120.200 -0.123 0.000 2.008 95 E HA -0.031 4.319 4.350 0.001 0.000 0.191 95 E C 2.468 179.001 176.600 -0.111 0.000 0.986 95 E CA 1.217 57.526 56.400 -0.151 0.000 0.807 95 E CB -0.573 29.121 29.700 -0.011 0.000 0.766 95 E HN 0.506 nan 8.360 nan 0.000 0.450 96 A N 1.257 124.047 122.820 -0.050 0.000 1.915 96 A HA -0.270 4.050 4.320 0.001 0.000 0.220 96 A C 2.331 179.877 177.584 -0.064 0.000 1.198 96 A CA 1.835 53.847 52.037 -0.041 0.000 0.647 96 A CB -1.091 17.898 19.000 -0.018 0.000 0.825 96 A HN 0.423 nan 8.150 nan 0.000 0.456 97 L N -1.406 119.769 121.223 -0.081 0.000 1.989 97 L HA -0.227 4.114 4.340 0.001 0.000 0.211 97 L C 2.883 179.686 176.870 -0.112 0.000 1.071 97 L CA 1.826 56.601 54.840 -0.110 0.000 0.749 97 L CB -0.390 41.581 42.059 -0.147 0.000 0.890 97 L HN 0.408 nan 8.230 nan 0.000 0.431 98 M N -0.799 118.727 119.600 -0.122 0.000 2.073 98 M HA -0.239 4.242 4.480 0.001 0.000 0.258 98 M C 2.257 178.511 176.300 -0.075 0.000 1.070 98 M CA 2.272 57.514 55.300 -0.097 0.000 1.103 98 M CB -1.526 30.965 32.600 -0.182 0.000 1.321 98 M HN 0.305 nan 8.290 nan 0.000 0.405 99 T N 0.318 114.829 114.554 -0.072 0.000 2.652 99 T HA -0.137 4.214 4.350 0.001 0.000 0.267 99 T C 1.794 176.461 174.700 -0.055 0.000 1.039 99 T CA 2.133 64.202 62.100 -0.052 0.000 1.153 99 T CB -0.572 68.269 68.868 -0.046 0.000 0.863 99 T HN 0.430 nan 8.240 nan 0.000 0.428 100 T N 2.715 117.235 114.554 -0.057 0.000 2.607 100 T HA -0.126 4.225 4.350 0.001 0.000 0.267 100 T C 2.090 176.754 174.700 -0.059 0.000 1.049 100 T CA 1.423 63.492 62.100 -0.050 0.000 1.162 100 T CB -0.494 68.342 68.868 -0.054 0.000 0.863 100 T HN 0.285 nan 8.240 nan 0.000 0.424 101 M N 0.436 119.991 119.600 -0.076 0.000 2.073 101 M HA -0.110 4.371 4.480 0.001 0.000 0.258 101 M C 2.396 178.642 176.300 -0.089 0.000 1.070 101 M CA 1.825 57.076 55.300 -0.081 0.000 1.103 101 M CB -0.805 31.745 32.600 -0.084 0.000 1.321 101 M HN 0.229 nan 8.290 nan 0.000 0.405 102 L N -0.546 120.617 121.223 -0.099 0.000 1.994 102 L HA -0.176 4.165 4.340 0.001 0.000 0.208 102 L C 2.850 179.657 176.870 -0.106 0.000 1.071 102 L CA 1.300 56.054 54.840 -0.143 0.000 0.745 102 L CB -1.073 40.897 42.059 -0.148 0.000 0.892 102 L HN 0.309 nan 8.230 nan 0.000 0.431 103 A N 0.381 123.160 122.820 -0.068 0.000 1.834 103 A HA -0.111 4.209 4.320 0.001 0.000 0.216 103 A C 1.891 179.449 177.584 -0.044 0.000 1.203 103 A CA 1.741 53.748 52.037 -0.050 0.000 0.621 103 A CB -1.319 17.654 19.000 -0.044 0.000 0.841 103 A HN 0.431 nan 8.150 nan 0.000 0.446 104 G N -1.178 107.601 108.800 -0.035 0.000 3.882 104 G HA2 0.428 4.389 3.960 0.001 0.000 0.283 104 G HA3 0.428 4.389 3.960 0.001 0.000 0.283 104 G C 0.863 175.750 174.900 -0.022 0.000 1.283 104 G CA 0.686 45.775 45.100 -0.018 0.000 1.402 104 G HN 0.753 nan 8.290 nan 0.000 0.618 105 A N 0.739 123.534 122.820 -0.041 0.000 2.131 105 A HA -0.058 4.263 4.320 0.001 0.000 0.220 105 A C 2.521 180.089 177.584 -0.027 0.000 1.158 105 A CA 1.808 53.817 52.037 -0.046 0.000 0.665 105 A CB -0.220 18.740 19.000 -0.067 0.000 0.795 105 A HN 0.854 nan 8.150 nan 0.000 0.460 106 S N -0.863 114.829 115.700 -0.014 0.000 2.607 106 S HA 0.140 4.611 4.470 0.001 0.000 0.224 106 S C 1.408 176.017 174.600 0.014 0.000 0.969 106 S CA 0.824 59.023 58.200 -0.001 0.000 0.927 106 S CB -0.442 62.760 63.200 0.002 0.000 0.772 106 S HN 0.497 nan 8.310 nan 0.000 0.533 107 L N -0.202 121.034 121.223 0.021 0.000 2.286 107 L HA 0.341 4.681 4.340 0.001 0.000 0.203 107 L C 1.258 178.145 176.870 0.029 0.000 1.068 107 L CA 0.289 55.161 54.840 0.054 0.000 0.811 107 L CB -0.328 41.790 42.059 0.099 0.000 0.989 107 L HN 0.287 nan 8.230 nan 0.000 0.467 108 M N 0.354 119.948 119.600 -0.011 0.000 2.241 108 M HA 0.048 4.529 4.480 0.001 0.000 0.335 108 M C 0.086 176.369 176.300 -0.027 0.000 1.122 108 M CA 0.424 55.703 55.300 -0.036 0.000 1.164 108 M CB 0.921 33.487 32.600 -0.057 0.000 1.459 108 M HN 0.025 nan 8.290 nan 0.000 0.461 109 D N 0.469 120.847 120.400 -0.035 0.000 2.500 109 D HA 0.305 4.946 4.640 0.001 0.000 0.218 109 D C 0.364 176.647 176.300 -0.028 0.000 1.140 109 D CA 0.305 54.288 54.000 -0.027 0.000 0.830 109 D CB 1.522 42.306 40.800 -0.027 0.000 1.055 109 D HN 0.842 nan 8.370 nan 0.000 0.512 110 G N 0.159 108.936 108.800 -0.038 0.000 2.506 110 G HA2 0.590 4.551 3.960 0.001 0.000 0.292 110 G HA3 0.590 4.551 3.960 0.001 0.000 0.292 110 G C -1.900 172.978 174.900 -0.035 0.000 1.425 110 G CA -0.096 44.989 45.100 -0.027 0.000 0.788 110 G HN 0.144 nan 8.290 nan 0.000 0.490 111 A N -0.586 122.223 122.820 -0.019 0.000 2.574 111 A HA 0.771 5.091 4.320 0.001 0.000 0.297 111 A C -1.313 176.278 177.584 0.012 0.000 1.062 111 A CA -0.540 51.489 52.037 -0.012 0.000 0.686 111 A CB 1.261 20.246 19.000 -0.027 0.000 1.285 111 A HN 0.860 nan 8.150 nan 0.000 0.403 112 I N 2.279 122.873 120.570 0.040 0.000 2.359 112 I HA 0.214 4.385 4.170 0.001 0.000 0.284 112 I C -0.753 175.394 176.117 0.049 0.000 1.018 112 I CA -0.674 60.659 61.300 0.054 0.000 1.173 112 I CB 1.443 39.507 38.000 0.108 0.000 1.326 112 I HN 0.540 nan 8.210 nan 0.000 0.462 113 L N 9.075 130.327 121.223 0.049 0.000 2.342 113 L HA 0.250 4.591 4.340 0.001 0.000 0.285 113 L C -0.206 176.726 176.870 0.105 0.000 1.095 113 L CA 0.108 54.999 54.840 0.086 0.000 0.843 113 L CB 0.730 42.850 42.059 0.102 0.000 1.201 113 L HN 0.251 nan 8.230 nan 0.000 0.445 114 V N 7.557 127.542 119.914 0.118 0.000 2.385 114 V HA 0.330 4.451 4.120 0.001 0.000 0.269 114 V C 0.371 176.605 176.094 0.233 0.000 1.043 114 V CA -0.176 62.206 62.300 0.136 0.000 0.906 114 V CB 0.749 32.640 31.823 0.113 0.000 0.995 114 V HN 0.539 nan 8.190 nan 0.000 0.467 115 I N 4.469 125.174 120.570 0.224 0.000 2.410 115 I HA 0.545 4.715 4.170 0.001 0.000 0.286 115 I C 0.608 176.749 176.117 0.040 0.000 1.009 115 I CA -0.603 60.888 61.300 0.317 0.000 1.111 115 I CB 1.725 39.850 38.000 0.207 0.000 1.262 115 I HN 0.635 nan 8.210 nan 0.000 0.443 116 A N 4.355 126.927 122.820 -0.414 0.000 2.520 116 A HA 0.430 4.751 4.320 0.001 0.000 0.245 116 A C 1.239 178.621 177.584 -0.336 0.000 1.072 116 A CA 0.403 52.118 52.037 -0.536 0.000 0.761 116 A CB 0.508 18.939 19.000 -0.949 0.000 1.004 116 A HN 0.950 nan 8.150 nan 0.000 0.499 117 A N 2.418 125.137 122.820 -0.169 0.000 2.123 117 A HA -0.033 4.287 4.320 0.001 0.000 0.214 117 A C 1.393 178.916 177.584 -0.102 0.000 1.152 117 A CA 0.976 52.955 52.037 -0.097 0.000 0.728 117 A CB -0.349 18.626 19.000 -0.042 0.000 0.814 117 A HN 0.958 nan 8.150 nan 0.000 0.464 118 N N 0.071 118.692 118.700 -0.132 0.000 2.327 118 N HA 0.085 4.826 4.740 0.001 0.000 0.231 118 N C -0.465 174.975 175.510 -0.118 0.000 1.130 118 N CA 0.132 53.122 53.050 -0.100 0.000 0.845 118 N CB 0.234 38.675 38.487 -0.076 0.000 1.073 118 N HN 0.521 nan 8.380 nan 0.000 0.496 119 E N 0.179 120.287 120.200 -0.153 0.000 2.392 119 E HA 0.371 4.722 4.350 0.001 0.000 0.279 119 E C -2.910 173.618 176.600 -0.121 0.000 0.964 119 E CA -2.093 54.224 56.400 -0.139 0.000 0.777 119 E CB 2.215 31.814 29.700 -0.169 0.000 1.249 119 E HN 0.024 nan 8.360 nan 0.000 0.449 120 P HA -0.122 nan 4.420 nan 0.000 0.263 120 P C 0.565 177.795 177.300 -0.116 0.000 1.175 120 P CA 0.063 63.105 63.100 -0.097 0.000 0.761 120 P CB 0.386 32.029 31.700 -0.096 0.000 0.794 121 C N 5.837 125.068 119.300 -0.115 0.000 2.382 121 C HA -0.106 4.355 4.460 0.001 0.000 0.281 121 C C -1.189 173.633 174.990 -0.280 0.000 1.191 121 C CA 1.171 60.104 59.018 -0.142 0.000 1.772 121 C CB -2.031 25.642 27.740 -0.112 0.000 2.013 121 C HN 0.531 nan 8.230 nan 0.000 0.437 122 P HA 0.275 nan 4.420 nan 0.000 0.273 122 P C -0.684 176.394 177.300 -0.370 0.000 1.428 122 P CA 0.409 63.084 63.100 -0.707 0.000 0.995 122 P CB 0.025 31.227 31.700 -0.831 0.000 1.286 123 R N 4.817 125.145 120.500 -0.287 0.000 2.459 123 R HA 0.257 4.598 4.340 0.001 0.000 0.281 123 R C -1.514 174.685 176.300 -0.169 0.000 1.050 123 R CA -2.677 53.283 56.100 -0.234 0.000 1.055 123 R CB -0.572 29.498 30.300 -0.383 0.000 1.045 123 R HN 0.195 nan 8.270 nan 0.000 0.495 124 P HA -0.277 nan 4.420 nan 0.000 0.222 124 P C 0.830 178.036 177.300 -0.156 0.000 1.157 124 P CA 1.822 64.859 63.100 -0.106 0.000 0.905 124 P CB 0.305 31.956 31.700 -0.082 0.000 0.792 125 Q N -2.043 117.652 119.800 -0.175 0.000 2.096 125 Q HA -0.071 4.270 4.340 0.001 0.000 0.197 125 Q C 2.144 177.928 176.000 -0.359 0.000 0.964 125 Q CA 1.546 57.071 55.803 -0.463 0.000 0.838 125 Q CB -0.703 27.635 28.738 -0.666 0.000 0.906 125 Q HN 0.247 nan 8.270 nan 0.000 0.444 126 T N 1.043 115.509 114.554 -0.147 0.000 2.803 126 T HA -0.154 4.197 4.350 0.001 0.000 0.269 126 T C 1.641 176.392 174.700 0.085 0.000 1.052 126 T CA 1.158 63.236 62.100 -0.036 0.000 1.136 126 T CB -0.101 68.740 68.868 -0.045 0.000 0.864 126 T HN 0.266 nan 8.240 nan 0.000 0.467 127 R N 0.990 121.507 120.500 0.028 0.000 2.075 127 R HA -0.012 4.329 4.340 0.001 0.000 0.232 127 R C 2.512 178.901 176.300 0.149 0.000 1.126 127 R CA 1.124 57.348 56.100 0.206 0.000 0.963 127 R CB -0.228 30.131 30.300 0.097 0.000 0.858 127 R HN 0.512 nan 8.270 nan 0.000 0.435 128 E N 0.157 120.376 120.200 0.032 0.000 2.160 128 E HA -0.192 4.158 4.350 0.001 0.000 0.195 128 E C 1.859 178.532 176.600 0.121 0.000 0.991 128 E CA 1.098 57.538 56.400 0.067 0.000 0.810 128 E CB -0.115 29.661 29.700 0.127 0.000 0.742 128 E HN 0.515 nan 8.360 nan 0.000 0.466 129 H N 0.714 119.878 119.070 0.157 0.000 2.307 129 H HA 0.007 4.564 4.556 0.001 0.000 0.303 129 H C 2.286 177.652 175.328 0.064 0.000 1.073 129 H CA 0.527 56.631 56.048 0.093 0.000 1.338 129 H CB -0.618 29.203 29.762 0.098 0.000 1.389 129 H HN 0.096 nan 8.280 nan 0.000 0.503 130 L N 0.408 121.768 121.223 0.228 0.000 2.187 130 L HA -0.198 4.143 4.340 0.001 0.000 0.213 130 L C 2.431 179.327 176.870 0.042 0.000 1.100 130 L CA 1.112 56.007 54.840 0.092 0.000 0.765 130 L CB -0.240 41.839 42.059 0.033 0.000 0.904 130 L HN 0.274 nan 8.230 nan 0.000 0.437 131 M N -1.156 118.493 119.600 0.082 0.000 2.156 131 M HA -0.153 4.327 4.480 0.001 0.000 0.264 131 M C 2.169 178.480 176.300 0.018 0.000 1.067 131 M CA 1.796 57.124 55.300 0.048 0.000 1.131 131 M CB -0.024 32.618 32.600 0.071 0.000 1.368 131 M HN 0.272 nan 8.290 nan 0.000 0.416 132 A N 0.563 123.407 122.820 0.040 0.000 1.872 132 A HA -0.066 4.255 4.320 0.001 0.000 0.214 132 A C 1.989 179.550 177.584 -0.039 0.000 1.187 132 A CA 1.119 53.150 52.037 -0.010 0.000 0.614 132 A CB -0.952 18.065 19.000 0.027 0.000 0.826 132 A HN 0.561 nan 8.150 nan 0.000 0.442 133 L N -0.767 120.451 121.223 -0.008 0.000 2.079 133 L HA -0.256 4.085 4.340 0.001 0.000 0.210 133 L C 2.877 179.718 176.870 -0.047 0.000 1.081 133 L CA 1.819 56.641 54.840 -0.029 0.000 0.752 133 L CB -0.390 41.661 42.059 -0.013 0.000 0.896 133 L HN 0.519 nan 8.230 nan 0.000 0.433 134 Q N 0.622 120.395 119.800 -0.045 0.000 2.119 134 Q HA -0.164 4.177 4.340 0.001 0.000 0.201 134 Q C 1.991 177.950 176.000 -0.068 0.000 0.972 134 Q CA 1.683 57.453 55.803 -0.055 0.000 0.847 134 Q CB -0.170 28.538 28.738 -0.050 0.000 0.903 134 Q HN 0.511 nan 8.270 nan 0.000 0.433 135 I N 0.525 121.040 120.570 -0.092 0.000 2.546 135 I HA -0.140 4.031 4.170 0.001 0.000 0.255 135 I C 1.649 177.669 176.117 -0.163 0.000 1.163 135 I CA 0.818 62.029 61.300 -0.149 0.000 1.457 135 I CB -0.213 37.637 38.000 -0.250 0.000 1.092 135 I HN 0.336 nan 8.210 nan 0.000 0.434 136 I N -1.796 118.694 120.570 -0.133 0.000 3.855 136 I HA 0.423 4.594 4.170 0.001 0.000 0.327 136 I C 1.181 177.255 176.117 -0.072 0.000 1.359 136 I CA 0.085 61.318 61.300 -0.112 0.000 1.142 136 I CB -0.343 37.593 38.000 -0.107 0.000 1.041 136 I HN 0.176 nan 8.210 nan 0.000 0.403 137 G N 2.281 111.043 108.800 -0.063 0.000 2.283 137 G HA2 -0.352 3.609 3.960 0.001 0.000 0.280 137 G HA3 -0.352 3.609 3.960 0.001 0.000 0.280 137 G C 0.073 174.951 174.900 -0.037 0.000 1.029 137 G CA 0.625 45.698 45.100 -0.044 0.000 0.840 137 G HN 0.626 nan 8.290 nan 0.000 0.505 138 Q N 0.048 119.825 119.800 -0.040 0.000 2.406 138 Q HA 0.530 4.871 4.340 0.001 0.000 0.242 138 Q C 1.337 177.321 176.000 -0.026 0.000 1.036 138 Q CA -0.161 55.623 55.803 -0.031 0.000 0.904 138 Q CB 0.458 29.174 28.738 -0.036 0.000 1.244 138 Q HN 0.510 nan 8.270 nan 0.000 0.478 139 K N 2.065 122.455 120.400 -0.016 0.000 2.284 139 K HA 0.162 4.483 4.320 0.001 0.000 0.198 139 K C -0.102 176.502 176.600 0.006 0.000 1.048 139 K CA 0.016 56.297 56.287 -0.010 0.000 0.987 139 K CB 0.458 32.954 32.500 -0.006 0.000 0.800 139 K HN 0.394 nan 8.250 nan 0.000 0.486 140 N N 2.368 121.077 118.700 0.015 0.000 2.454 140 N HA 0.100 4.840 4.740 0.001 0.000 0.285 140 N C -0.681 174.843 175.510 0.024 0.000 1.233 140 N CA 0.704 53.780 53.050 0.042 0.000 1.036 140 N CB -0.071 38.441 38.487 0.041 0.000 1.423 140 N HN 0.181 nan 8.380 nan 0.000 0.495 141 I N 1.811 122.385 120.570 0.007 0.000 2.608 141 I HA 0.463 4.634 4.170 0.001 0.000 0.295 141 I C -0.011 176.053 176.117 -0.090 0.000 1.049 141 I CA -0.811 60.473 61.300 -0.027 0.000 1.063 141 I CB 2.037 40.019 38.000 -0.031 0.000 1.248 141 I HN 0.017 nan 8.210 nan 0.000 0.424 142 I N 5.973 126.489 120.570 -0.090 0.000 2.436 142 I HA 0.441 4.612 4.170 0.001 0.000 0.289 142 I C -0.519 175.554 176.117 -0.073 0.000 1.010 142 I CA -0.574 60.629 61.300 -0.162 0.000 1.098 142 I CB 2.130 40.043 38.000 -0.145 0.000 1.266 142 I HN 0.340 nan 8.210 nan 0.000 0.434 143 I N 5.310 125.837 120.570 -0.072 0.000 2.331 143 I HA 0.420 4.591 4.170 0.001 0.000 0.292 143 I C 0.304 176.428 176.117 0.012 0.000 0.998 143 I CA -0.339 60.962 61.300 0.001 0.000 1.267 143 I CB 1.629 39.645 38.000 0.027 0.000 1.386 143 I HN 0.625 nan 8.210 nan 0.000 0.476 144 A N 6.815 129.659 122.820 0.041 0.000 2.394 144 A HA 0.287 4.608 4.320 0.001 0.000 0.333 144 A C -0.128 177.488 177.584 0.054 0.000 1.397 144 A CA -0.490 51.570 52.037 0.039 0.000 0.884 144 A CB 0.370 19.393 19.000 0.037 0.000 1.147 144 A HN 0.757 nan 8.150 nan 0.000 0.505 145 Q N 2.590 122.419 119.800 0.049 0.000 2.300 145 Q HA 0.108 4.449 4.340 0.001 0.000 0.262 145 Q C -0.250 175.762 176.000 0.021 0.000 1.109 145 Q CA -0.088 55.741 55.803 0.043 0.000 0.905 145 Q CB 0.236 29.007 28.738 0.055 0.000 1.280 145 Q HN 0.752 nan 8.270 nan 0.000 0.426 146 N N 2.752 121.459 118.700 0.010 0.000 2.478 146 N HA 0.213 4.954 4.740 0.001 0.000 0.275 146 N C -0.956 174.541 175.510 -0.021 0.000 1.221 146 N CA -0.220 52.831 53.050 0.001 0.000 0.979 146 N CB 0.742 39.236 38.487 0.013 0.000 1.202 146 N HN 0.624 nan 8.380 nan 0.000 0.564 147 K N 0.092 120.484 120.400 -0.013 0.000 3.117 147 K HA -0.200 4.120 4.320 0.001 0.000 0.269 147 K C 0.597 177.195 176.600 -0.004 0.000 1.098 147 K CA 0.159 56.437 56.287 -0.015 0.000 0.785 147 K CB -1.639 30.837 32.500 -0.039 0.000 1.242 147 K HN 0.417 nan 8.250 nan 0.000 0.491 148 I N 2.245 122.821 120.570 0.010 0.000 2.454 148 I HA -0.225 3.946 4.170 0.001 0.000 0.254 148 I C 2.392 178.521 176.117 0.020 0.000 1.156 148 I CA 1.786 63.092 61.300 0.010 0.000 1.433 148 I CB -0.011 37.997 38.000 0.012 0.000 1.082 148 I HN 0.287 nan 8.210 nan 0.000 0.432 149 E N -0.341 119.887 120.200 0.047 0.000 2.515 149 E HA -0.160 4.191 4.350 0.001 0.000 0.201 149 E C 1.538 178.160 176.600 0.038 0.000 1.071 149 E CA 0.851 57.286 56.400 0.058 0.000 0.880 149 E CB -0.456 29.328 29.700 0.139 0.000 0.828 149 E HN 0.361 nan 8.360 nan 0.000 0.540 150 L N 0.615 121.850 121.223 0.020 0.000 2.664 150 L HA 0.149 4.490 4.340 0.001 0.000 0.233 150 L C 0.329 177.196 176.870 -0.005 0.000 1.113 150 L CA 0.050 54.894 54.840 0.007 0.000 0.896 150 L CB 0.952 43.009 42.059 -0.003 0.000 1.163 150 L HN 0.094 nan 8.230 nan 0.000 0.497 151 V N -2.489 117.421 119.914 -0.006 0.000 2.531 151 V HA 0.486 4.607 4.120 0.001 0.000 0.301 151 V C -0.479 175.611 176.094 -0.006 0.000 1.034 151 V CA -1.260 61.034 62.300 -0.010 0.000 0.865 151 V CB 1.407 33.221 31.823 -0.015 0.000 0.995 151 V HN 0.239 nan 8.190 nan 0.000 0.424 152 D N 3.362 123.758 120.400 -0.006 0.000 2.390 152 D HA -0.062 4.579 4.640 0.001 0.000 0.236 152 D C 0.845 177.142 176.300 -0.005 0.000 1.189 152 D CA -0.334 53.662 54.000 -0.006 0.000 0.887 152 D CB 1.231 42.028 40.800 -0.006 0.000 1.198 152 D HN 0.683 nan 8.370 nan 0.000 0.444 153 K N 0.289 120.685 120.400 -0.007 0.000 2.286 153 K HA -0.242 4.079 4.320 0.001 0.000 0.203 153 K C 1.697 178.296 176.600 -0.002 0.000 1.045 153 K CA 1.264 57.546 56.287 -0.008 0.000 0.935 153 K CB -0.010 32.483 32.500 -0.012 0.000 0.737 153 K HN 0.616 nan 8.250 nan 0.000 0.460 154 E N 0.782 120.982 120.200 0.000 0.000 2.015 154 E HA -0.182 4.169 4.350 0.001 0.000 0.191 154 E C 1.703 178.308 176.600 0.009 0.000 0.991 154 E CA 1.185 57.588 56.400 0.005 0.000 0.802 154 E CB 0.116 29.817 29.700 0.002 0.000 0.759 154 E HN 0.205 nan 8.360 nan 0.000 0.447 155 K N 0.349 120.751 120.400 0.004 0.000 2.063 155 K HA -0.141 4.179 4.320 0.001 0.000 0.208 155 K C 2.183 178.791 176.600 0.013 0.000 1.048 155 K CA 1.088 57.377 56.287 0.003 0.000 0.928 155 K CB -0.208 32.288 32.500 -0.007 0.000 0.713 155 K HN 0.169 nan 8.250 nan 0.000 0.442 156 A N 1.554 124.381 122.820 0.012 0.000 1.873 156 A HA -0.201 4.120 4.320 0.001 0.000 0.218 156 A C 2.145 179.766 177.584 0.062 0.000 1.193 156 A CA 1.539 53.589 52.037 0.023 0.000 0.629 156 A CB -0.827 18.175 19.000 0.004 0.000 0.826 156 A HN 0.196 nan 8.150 nan 0.000 0.447 157 L N -1.122 120.135 121.223 0.058 0.000 2.131 157 L HA -0.184 4.157 4.340 0.001 0.000 0.210 157 L C 2.640 179.592 176.870 0.137 0.000 1.092 157 L CA 1.607 56.515 54.840 0.113 0.000 0.759 157 L CB -0.370 41.731 42.059 0.070 0.000 0.903 157 L HN 0.449 nan 8.230 nan 0.000 0.435 158 E N 0.271 120.514 120.200 0.073 0.000 2.150 158 E HA -0.208 4.143 4.350 0.001 0.000 0.193 158 E C 1.918 178.544 176.600 0.043 0.000 0.985 158 E CA 1.012 57.440 56.400 0.047 0.000 0.814 158 E CB -0.123 29.590 29.700 0.021 0.000 0.752 158 E HN 0.306 nan 8.360 nan 0.000 0.466 159 N N -0.609 118.123 118.700 0.054 0.000 2.109 159 N HA -0.200 4.541 4.740 0.001 0.000 0.188 159 N C 1.858 177.417 175.510 0.083 0.000 1.034 159 N CA 1.313 54.388 53.050 0.042 0.000 0.846 159 N CB -0.467 38.038 38.487 0.030 0.000 1.010 159 N HN 0.231 nan 8.380 nan 0.000 0.425 160 Y N 2.052 122.352 120.300 0.001 0.000 2.014 160 Y HA -0.270 4.281 4.550 0.001 0.000 0.272 160 Y C 2.635 178.547 175.900 0.020 0.000 1.164 160 Y CA 2.350 60.456 58.100 0.010 0.000 1.114 160 Y CB -0.781 37.681 38.460 0.005 0.000 0.961 160 Y HN 0.011 nan 8.280 nan 0.000 0.489 161 R N 0.211 120.647 120.500 -0.108 0.000 2.112 161 R HA -0.263 4.078 4.340 0.001 0.000 0.242 161 R C 2.494 178.708 176.300 -0.144 0.000 1.137 161 R CA 2.435 58.414 56.100 -0.200 0.000 0.944 161 R CB -0.622 29.654 30.300 -0.041 0.000 0.857 161 R HN 0.573 nan 8.270 nan 0.000 0.435 162 Q N -0.058 119.709 119.800 -0.056 0.000 2.062 162 Q HA -0.238 4.102 4.340 0.001 0.000 0.209 162 Q C 2.219 178.224 176.000 0.009 0.000 0.996 162 Q CA 2.044 57.833 55.803 -0.024 0.000 0.859 162 Q CB -0.345 28.379 28.738 -0.022 0.000 0.920 162 Q HN 0.409 nan 8.270 nan 0.000 0.415 163 I N 0.639 121.213 120.570 0.007 0.000 2.118 163 I HA -0.328 3.843 4.170 0.001 0.000 0.241 163 I C 2.510 178.648 176.117 0.035 0.000 1.070 163 I CA 1.088 62.442 61.300 0.090 0.000 1.327 163 I CB -0.395 37.648 38.000 0.072 0.000 1.034 163 I HN 0.148 nan 8.210 nan 0.000 0.405 164 K N 0.841 121.149 120.400 -0.153 0.000 2.074 164 K HA -0.271 4.050 4.320 0.001 0.000 0.209 164 K C 1.960 178.512 176.600 -0.080 0.000 1.048 164 K CA 2.011 58.186 56.287 -0.187 0.000 0.926 164 K CB -0.411 31.874 32.500 -0.359 0.000 0.713 164 K HN 0.512 nan 8.250 nan 0.000 0.444 165 E N -0.601 119.576 120.200 -0.038 0.000 2.150 165 E HA -0.175 4.176 4.350 0.001 0.000 0.193 165 E C 1.946 178.594 176.600 0.079 0.000 0.985 165 E CA 0.668 57.072 56.400 0.008 0.000 0.814 165 E CB -0.245 29.462 29.700 0.013 0.000 0.752 165 E HN 0.200 nan 8.360 nan 0.000 0.466 166 F N 2.368 122.286 119.950 -0.054 0.000 2.146 166 F HA -0.066 4.462 4.527 0.002 0.000 0.298 166 F C 1.964 177.747 175.800 -0.028 0.000 1.096 166 F CA 1.544 59.524 58.000 -0.033 0.000 1.275 166 F CB -0.292 38.693 39.000 -0.025 0.000 1.008 166 F HN 0.166 nan 8.300 nan 0.000 0.480 167 I N -1.539 118.888 120.570 -0.238 0.000 2.716 167 I HA 0.024 4.195 4.170 0.001 0.000 0.259 167 I C 1.150 177.145 176.117 -0.202 0.000 1.172 167 I CA 0.123 61.217 61.300 -0.343 0.000 1.478 167 I CB -0.929 36.943 38.000 -0.213 0.000 1.104 167 I HN -0.127 nan 8.210 nan 0.000 0.439 168 K N 2.657 122.985 120.400 -0.120 0.000 2.550 168 K HA 0.088 4.409 4.320 0.001 0.000 0.280 168 K C 1.039 177.587 176.600 -0.086 0.000 0.987 168 K CA 1.242 57.480 56.287 -0.082 0.000 1.048 168 K CB 0.030 32.499 32.500 -0.053 0.000 0.879 168 K HN 0.569 nan 8.250 nan 0.000 0.491 169 G N 2.350 111.109 108.800 -0.069 0.000 2.198 169 G HA2 -0.259 3.702 3.960 0.001 0.000 0.257 169 G HA3 -0.259 3.702 3.960 0.001 0.000 0.257 169 G C -0.046 174.805 174.900 -0.083 0.000 1.042 169 G CA 0.626 45.689 45.100 -0.061 0.000 0.791 169 G HN 0.943 nan 8.290 nan 0.000 0.502 170 T N -5.065 109.426 114.554 -0.104 0.000 2.778 170 T HA 0.654 5.005 4.350 0.001 0.000 0.293 170 T C 1.300 175.943 174.700 -0.095 0.000 1.144 170 T CA 0.353 62.380 62.100 -0.121 0.000 1.010 170 T CB 1.476 70.218 68.868 -0.210 0.000 1.325 170 T HN 1.047 nan 8.240 nan 0.000 0.515 171 V N -0.584 119.277 119.914 -0.088 0.000 2.970 171 V HA 0.316 4.437 4.120 0.001 0.000 0.260 171 V C 2.244 178.302 176.094 -0.061 0.000 1.100 171 V CA 1.203 63.465 62.300 -0.062 0.000 1.122 171 V CB -1.562 30.230 31.823 -0.052 0.000 0.721 171 V HN 1.025 nan 8.190 nan 0.000 0.483 172 A N -0.124 122.641 122.820 -0.092 0.000 2.577 172 A HA 0.257 4.577 4.320 0.001 0.000 0.280 172 A C 1.857 179.388 177.584 -0.089 0.000 1.331 172 A CA 0.268 52.255 52.037 -0.085 0.000 0.935 172 A CB -0.399 18.540 19.000 -0.101 0.000 1.082 172 A HN 0.540 nan 8.150 nan 0.000 0.525 173 E N 0.386 120.539 120.200 -0.079 0.000 2.150 173 E HA -0.152 4.199 4.350 0.001 0.000 0.193 173 E C 0.304 176.882 176.600 -0.037 0.000 0.985 173 E CA 1.030 57.389 56.400 -0.068 0.000 0.814 173 E CB 0.019 29.685 29.700 -0.057 0.000 0.752 173 E HN 0.503 nan 8.360 nan 0.000 0.466 174 N N 0.082 118.772 118.700 -0.017 0.000 2.320 174 N HA 0.200 4.940 4.740 0.001 0.000 0.237 174 N C -1.208 174.309 175.510 0.012 0.000 1.129 174 N CA 0.129 53.187 53.050 0.014 0.000 0.854 174 N CB 1.266 39.777 38.487 0.041 0.000 1.083 174 N HN 0.103 nan 8.380 nan 0.000 0.504 175 A N 0.878 123.675 122.820 -0.038 0.000 2.309 175 A HA 0.638 4.959 4.320 0.001 0.000 0.298 175 A C -2.257 175.249 177.584 -0.129 0.000 1.165 175 A CA -1.204 50.766 52.037 -0.112 0.000 0.821 175 A CB 0.467 19.404 19.000 -0.104 0.000 1.102 175 A HN 0.005 nan 8.150 nan 0.000 0.500 176 P HA 0.305 nan 4.420 nan 0.000 0.272 176 P C -0.808 176.441 177.300 -0.086 0.000 1.223 176 P CA 0.085 63.076 63.100 -0.182 0.000 0.784 176 P CB 0.487 31.965 31.700 -0.369 0.000 0.923 177 I N 2.911 123.494 120.570 0.022 0.000 2.460 177 I HA 0.298 4.469 4.170 0.001 0.000 0.277 177 I C -0.113 176.023 176.117 0.032 0.000 1.057 177 I CA -0.343 61.005 61.300 0.080 0.000 1.179 177 I CB 0.323 38.483 38.000 0.267 0.000 1.329 177 I HN 0.130 nan 8.210 nan 0.000 0.478 178 I N 7.761 128.329 120.570 -0.003 0.000 2.301 178 I HA 0.260 4.431 4.170 0.001 0.000 0.292 178 I C -2.246 173.873 176.117 0.003 0.000 1.046 178 I CA -1.825 59.468 61.300 -0.012 0.000 1.282 178 I CB 0.872 38.860 38.000 -0.020 0.000 1.409 178 I HN 0.169 nan 8.210 nan 0.000 0.484 179 P HA 0.256 nan 4.420 nan 0.000 0.276 179 P C -0.593 176.712 177.300 0.008 0.000 1.264 179 P CA 0.059 63.158 63.100 -0.003 0.000 0.769 179 P CB 0.409 32.094 31.700 -0.025 0.000 0.840 180 I N -0.850 119.730 120.570 0.016 0.000 3.354 180 I HA 0.758 4.928 4.170 0.001 0.000 0.316 180 I C -1.021 175.112 176.117 0.027 0.000 1.182 180 I CA -1.140 60.175 61.300 0.025 0.000 0.942 180 I CB 2.545 40.560 38.000 0.025 0.000 1.299 180 I HN 0.081 nan 8.210 nan 0.000 0.473 181 S N 1.553 117.274 115.700 0.036 0.000 2.524 181 S HA 0.632 5.103 4.470 0.001 0.000 0.227 181 S C 0.610 175.208 174.600 -0.003 0.000 1.304 181 S CA 0.036 58.255 58.200 0.031 0.000 1.185 181 S CB 0.969 64.231 63.200 0.102 0.000 1.104 181 S HN 0.970 nan 8.310 nan 0.000 0.475 182 A N 4.016 126.819 122.820 -0.027 0.000 2.076 182 A HA -0.034 4.287 4.320 0.001 0.000 0.220 182 A C 1.827 179.359 177.584 -0.086 0.000 1.160 182 A CA 1.427 53.436 52.037 -0.046 0.000 0.653 182 A CB -0.439 18.534 19.000 -0.045 0.000 0.801 182 A HN 0.765 nan 8.150 nan 0.000 0.455 183 L N -1.267 119.864 121.223 -0.153 0.000 2.049 183 L HA -0.037 4.304 4.340 0.001 0.000 0.203 183 L C 2.165 178.848 176.870 -0.313 0.000 1.074 183 L CA 1.972 56.640 54.840 -0.288 0.000 0.749 183 L CB -0.554 41.221 42.059 -0.472 0.000 0.907 183 L HN 0.523 nan 8.230 nan 0.000 0.439 184 H N -0.917 118.148 119.070 -0.008 0.000 2.595 184 H HA 0.368 4.925 4.556 0.001 0.000 0.265 184 H C 1.304 176.630 175.328 -0.004 0.000 0.953 184 H CA 0.646 56.690 56.048 -0.007 0.000 1.197 184 H CB 0.207 29.969 29.762 -0.001 0.000 1.438 184 H HN 0.418 nan 8.280 nan 0.000 0.531 185 G N 0.982 109.833 108.800 0.086 0.000 2.164 185 G HA2 -0.190 3.771 3.960 0.001 0.000 0.212 185 G HA3 -0.190 3.771 3.960 0.001 0.000 0.212 185 G C 0.284 175.243 174.900 0.098 0.000 1.031 185 G CA 0.096 45.235 45.100 0.066 0.000 0.730 185 G HN 0.639 nan 8.290 nan 0.000 0.501 186 A N 0.442 123.322 122.820 0.101 0.000 2.457 186 A HA 0.606 4.927 4.320 0.001 0.000 0.298 186 A C 1.330 178.958 177.584 0.073 0.000 1.288 186 A CA 0.807 52.899 52.037 0.091 0.000 0.956 186 A CB -0.138 18.911 19.000 0.082 0.000 1.135 186 A HN 1.263 nan 8.150 nan 0.000 0.535 187 N N 1.025 119.777 118.700 0.087 0.000 3.003 187 N HA -0.146 4.594 4.740 0.001 0.000 0.237 187 N C 0.733 176.293 175.510 0.082 0.000 0.969 187 N CA 0.886 53.979 53.050 0.071 0.000 0.941 187 N CB -1.088 37.423 38.487 0.039 0.000 1.098 187 N HN 0.574 nan 8.380 nan 0.000 0.563 188 I N 1.670 122.303 120.570 0.105 0.000 2.335 188 I HA -0.220 3.951 4.170 0.001 0.000 0.251 188 I C 2.383 178.582 176.117 0.137 0.000 1.129 188 I CA 1.907 63.269 61.300 0.103 0.000 1.402 188 I CB -0.865 37.192 38.000 0.095 0.000 1.069 188 I HN 0.341 nan 8.210 nan 0.000 0.424 189 D N 1.140 121.650 120.400 0.183 0.000 2.117 189 D HA -0.143 4.498 4.640 0.001 0.000 0.197 189 D C 2.087 178.454 176.300 0.112 0.000 0.987 189 D CA 1.174 55.294 54.000 0.199 0.000 0.829 189 D CB -0.771 40.145 40.800 0.193 0.000 0.961 189 D HN 0.223 nan 8.370 nan 0.000 0.460 190 V N 0.935 120.891 119.914 0.069 0.000 2.295 190 V HA -0.219 3.902 4.120 0.001 0.000 0.246 190 V C 2.677 178.786 176.094 0.026 0.000 1.049 190 V CA 1.434 63.750 62.300 0.028 0.000 1.024 190 V CB -0.727 31.109 31.823 0.021 0.000 0.648 190 V HN 0.157 nan 8.190 nan 0.000 0.447 191 L N 0.243 121.493 121.223 0.046 0.000 1.943 191 L HA -0.137 4.203 4.340 0.001 0.000 0.215 191 L C 2.427 179.336 176.870 0.066 0.000 1.074 191 L CA 2.058 56.928 54.840 0.049 0.000 0.759 191 L CB -0.843 41.250 42.059 0.057 0.000 0.888 191 L HN 0.124 nan 8.230 nan 0.000 0.433 192 V N 0.318 120.291 119.914 0.099 0.000 2.277 192 V HA -0.404 3.717 4.120 0.001 0.000 0.253 192 V C 2.692 178.807 176.094 0.035 0.000 1.067 192 V CA 2.447 64.824 62.300 0.129 0.000 1.047 192 V CB -1.005 30.938 31.823 0.200 0.000 0.649 192 V HN 0.646 nan 8.190 nan 0.000 0.447 193 K N 1.278 121.622 120.400 -0.093 0.000 2.063 193 K HA -0.168 4.153 4.320 0.001 0.000 0.208 193 K C 2.020 178.519 176.600 -0.168 0.000 1.048 193 K CA 2.033 58.073 56.287 -0.412 0.000 0.928 193 K CB -0.757 31.467 32.500 -0.459 0.000 0.713 193 K HN 0.389 nan 8.250 nan 0.000 0.442 194 A N 0.806 123.631 122.820 0.008 0.000 1.978 194 A HA -0.092 4.229 4.320 0.001 0.000 0.220 194 A C 2.204 179.944 177.584 0.260 0.000 1.170 194 A CA 1.656 53.822 52.037 0.216 0.000 0.636 194 A CB -0.709 18.370 19.000 0.132 0.000 0.810 194 A HN 0.424 nan 8.150 nan 0.000 0.448 195 I N -0.514 120.128 120.570 0.119 0.000 2.567 195 I HA -0.191 3.980 4.170 0.001 0.000 0.257 195 I C 2.231 178.382 176.117 0.058 0.000 1.184 195 I CA 1.002 62.361 61.300 0.099 0.000 1.451 195 I CB -0.156 37.894 38.000 0.084 0.000 1.089 195 I HN 0.320 nan 8.210 nan 0.000 0.441 196 E N 0.199 120.405 120.200 0.011 0.000 2.127 196 E HA -0.141 4.210 4.350 0.001 0.000 0.191 196 E C 1.921 178.476 176.600 -0.075 0.000 0.964 196 E CA 0.595 56.972 56.400 -0.039 0.000 0.832 196 E CB 0.013 29.667 29.700 -0.078 0.000 0.790 196 E HN 0.322 nan 8.360 nan 0.000 0.465 197 E N 0.013 120.154 120.200 -0.098 0.000 2.031 197 E HA -0.081 4.270 4.350 0.001 0.000 0.193 197 E C -0.037 176.279 176.600 -0.473 0.000 0.994 197 E CA 0.920 57.125 56.400 -0.325 0.000 0.800 197 E CB 0.019 29.476 29.700 -0.406 0.000 0.752 197 E HN -0.026 nan 8.360 nan 0.000 0.447 198 F N -0.773 119.150 119.950 -0.046 0.000 2.483 198 F HA 0.398 4.925 4.527 0.001 0.000 0.329 198 F C 0.606 176.383 175.800 -0.039 0.000 1.064 198 F CA -1.107 56.872 58.000 -0.035 0.000 0.986 198 F CB 0.765 39.751 39.000 -0.025 0.000 1.218 198 F HN -0.124 nan 8.300 nan 0.000 0.484 199 I N 0.217 120.865 120.570 0.131 0.000 6.480 199 I HA -0.166 4.005 4.170 0.001 0.000 0.126 199 I C -2.626 173.492 176.117 0.002 0.000 1.824 199 I CA -0.468 60.861 61.300 0.048 0.000 2.046 199 I CB -1.875 36.146 38.000 0.036 0.000 3.493 199 I HN 0.275 nan 8.210 nan 0.000 0.172 200 P HA 0.230 nan 4.420 nan 0.000 0.281 200 P C -0.020 177.262 177.300 -0.030 0.000 1.264 200 P CA -0.118 62.963 63.100 -0.032 0.000 0.824 200 P CB 0.778 32.451 31.700 -0.045 0.000 1.092 201 T N 3.195 117.729 114.554 -0.033 0.000 2.817 201 T HA 0.197 4.547 4.350 0.001 0.000 0.295 201 T C -1.864 172.822 174.700 -0.023 0.000 0.958 201 T CA -0.182 61.901 62.100 -0.030 0.000 1.157 201 T CB -0.861 67.987 68.868 -0.033 0.000 0.898 201 T HN 0.373 nan 8.240 nan 0.000 0.536 202 P HA 0.212 nan 4.420 nan 0.000 0.273 202 P C -0.287 177.008 177.300 -0.009 0.000 1.250 202 P CA -0.637 62.456 63.100 -0.012 0.000 0.793 202 P CB 0.512 32.208 31.700 -0.007 0.000 1.011 203 K N 2.315 122.711 120.400 -0.006 0.000 2.267 203 K HA 0.294 4.615 4.320 0.001 0.000 0.282 203 K C 0.114 176.717 176.600 0.006 0.000 1.078 203 K CA 0.085 56.370 56.287 -0.002 0.000 0.903 203 K CB 0.576 33.074 32.500 -0.004 0.000 1.111 203 K HN 0.418 nan 8.250 nan 0.000 0.475 204 R N 1.555 122.062 120.500 0.012 0.000 2.494 204 R HA 0.199 4.540 4.340 0.001 0.000 0.305 204 R C -0.457 175.861 176.300 0.031 0.000 0.959 204 R CA -0.810 55.305 56.100 0.024 0.000 0.864 204 R CB 1.718 32.039 30.300 0.035 0.000 1.159 204 R HN 0.430 nan 8.270 nan 0.000 0.446 205 D N 2.159 122.576 120.400 0.028 0.000 2.402 205 D HA 0.005 4.646 4.640 0.001 0.000 0.235 205 D C 0.692 177.015 176.300 0.039 0.000 1.226 205 D CA 0.048 54.066 54.000 0.029 0.000 0.918 205 D CB 0.910 41.722 40.800 0.020 0.000 1.043 205 D HN 0.577 nan 8.370 nan 0.000 0.506 206 S N 3.321 119.056 115.700 0.057 0.000 2.423 206 S HA -0.279 4.192 4.470 0.001 0.000 0.238 206 S C 1.443 176.066 174.600 0.037 0.000 1.028 206 S CA 1.148 59.391 58.200 0.071 0.000 1.000 206 S CB -0.429 62.840 63.200 0.116 0.000 0.797 206 S HN 0.587 nan 8.310 nan 0.000 0.487 207 N N 1.347 120.064 118.700 0.029 0.000 2.453 207 N HA 0.014 4.755 4.740 0.001 0.000 0.183 207 N C 0.200 175.717 175.510 0.011 0.000 1.041 207 N CA 0.558 53.618 53.050 0.017 0.000 0.900 207 N CB -0.169 38.328 38.487 0.016 0.000 0.961 207 N HN 0.483 nan 8.380 nan 0.000 0.443 208 K N 1.915 122.323 120.400 0.014 0.000 2.440 208 K HA 0.036 4.357 4.320 0.001 0.000 0.270 208 K C -2.313 174.290 176.600 0.005 0.000 0.980 208 K CA -1.133 55.160 56.287 0.010 0.000 0.953 208 K CB -0.020 32.488 32.500 0.013 0.000 0.925 208 K HN 0.041 nan 8.250 nan 0.000 0.497 209 P HA 0.059 nan 4.420 nan 0.000 0.268 209 P C -2.577 174.720 177.300 -0.004 0.000 1.204 209 P CA -1.140 61.959 63.100 -0.001 0.000 0.768 209 P CB -0.078 31.623 31.700 0.001 0.000 0.842 210 P HA 0.188 nan 4.420 nan 0.000 0.266 210 P C -0.349 176.944 177.300 -0.011 0.000 1.195 210 P CA 0.427 63.517 63.100 -0.018 0.000 0.768 210 P CB 0.345 32.027 31.700 -0.031 0.000 0.838 211 K N 2.786 123.180 120.400 -0.011 0.000 2.588 211 K HA 0.571 4.892 4.320 0.001 0.000 0.250 211 K C -1.580 175.014 176.600 -0.011 0.000 0.972 211 K CA -0.550 55.733 56.287 -0.006 0.000 0.821 211 K CB 1.131 33.633 32.500 0.003 0.000 1.249 211 K HN 0.435 nan 8.250 nan 0.000 0.442 212 M N 6.462 126.052 119.600 -0.017 0.000 2.393 212 M HA 0.419 4.900 4.480 0.001 0.000 0.299 212 M C -1.791 174.494 176.300 -0.025 0.000 1.103 212 M CA -0.868 54.417 55.300 -0.024 0.000 0.910 212 M CB 1.362 33.942 32.600 -0.034 0.000 1.659 212 M HN 0.603 nan 8.290 nan 0.000 0.445 213 L N 5.634 126.841 121.223 -0.027 0.000 2.259 213 L HA 0.377 4.718 4.340 0.001 0.000 0.288 213 L C -0.480 176.362 176.870 -0.046 0.000 1.051 213 L CA -0.995 53.827 54.840 -0.029 0.000 0.824 213 L CB 0.971 43.021 42.059 -0.016 0.000 1.206 213 L HN 0.465 nan 8.230 nan 0.000 0.429 214 V N 4.864 124.749 119.914 -0.049 0.000 2.450 214 V HA -0.100 4.021 4.120 0.001 0.000 0.281 214 V C 1.045 177.097 176.094 -0.070 0.000 1.019 214 V CA 0.174 62.439 62.300 -0.058 0.000 1.062 214 V CB 1.162 32.950 31.823 -0.058 0.000 0.979 214 V HN 0.679 nan 8.190 nan 0.000 0.477 215 L N 5.442 126.619 121.223 -0.077 0.000 2.298 215 L HA 0.301 4.642 4.340 0.001 0.000 0.209 215 L C 1.125 177.933 176.870 -0.104 0.000 1.084 215 L CA 1.298 56.094 54.840 -0.073 0.000 0.816 215 L CB -0.004 42.006 42.059 -0.082 0.000 0.967 215 L HN 0.605 nan 8.230 nan 0.000 0.460 216 R N -1.344 119.075 120.500 -0.135 0.000 2.710 216 R HA 0.506 4.847 4.340 0.001 0.000 0.270 216 R C -1.277 174.762 176.300 -0.434 0.000 1.021 216 R CA -0.163 55.728 56.100 -0.349 0.000 0.889 216 R CB 2.067 32.116 30.300 -0.419 0.000 1.243 216 R HN 0.079 nan 8.270 nan 0.000 0.464 217 S N 0.860 116.120 115.700 -0.735 0.000 2.541 217 S HA 0.853 5.324 4.470 0.001 0.000 0.280 217 S C -0.931 173.286 174.600 -0.639 0.000 1.112 217 S CA -0.704 57.241 58.200 -0.425 0.000 0.925 217 S CB 1.347 64.431 63.200 -0.193 0.000 1.067 217 S HN 0.378 nan 8.310 nan 0.000 0.479 218 F N 0.138 120.071 119.950 -0.028 0.000 2.824 218 F HA 0.670 5.197 4.527 0.001 0.000 0.330 218 F C -0.439 175.352 175.800 -0.016 0.000 1.175 218 F CA -1.269 56.717 58.000 -0.024 0.000 0.974 218 F CB 0.839 39.824 39.000 -0.026 0.000 1.430 218 F HN 0.624 nan 8.300 nan 0.000 0.507 219 D N 0.859 121.396 120.400 0.228 0.000 2.400 219 D HA 0.136 4.776 4.640 0.001 0.000 0.272 219 D C 0.658 177.009 176.300 0.085 0.000 1.220 219 D CA 0.031 54.103 54.000 0.120 0.000 0.897 219 D CB 1.569 42.420 40.800 0.086 0.000 1.134 219 D HN 0.478 nan 8.370 nan 0.000 0.507 220 V N 2.287 122.230 119.914 0.048 0.000 3.140 220 V HA -0.058 4.062 4.120 0.001 0.000 0.269 220 V C 0.568 176.657 176.094 -0.008 0.000 1.149 220 V CA 0.705 62.994 62.300 -0.019 0.000 1.162 220 V CB -0.601 31.185 31.823 -0.061 0.000 0.756 220 V HN 0.358 nan 8.190 nan 0.000 0.523 221 N N 1.975 120.687 118.700 0.021 0.000 2.479 221 N HA 0.266 5.007 4.740 0.001 0.000 0.257 221 N C -0.563 174.958 175.510 0.018 0.000 1.232 221 N CA 0.488 53.550 53.050 0.021 0.000 0.920 221 N CB 0.732 39.240 38.487 0.036 0.000 1.105 221 N HN 0.689 nan 8.380 nan 0.000 0.444 222 K N 0.773 121.181 120.400 0.014 0.000 2.562 222 K HA 0.303 4.624 4.320 0.001 0.000 0.267 222 K C -2.833 173.777 176.600 0.016 0.000 0.938 222 K CA -1.404 54.892 56.287 0.015 0.000 0.840 222 K CB 1.246 33.748 32.500 0.004 0.000 1.390 222 K HN 0.128 nan 8.250 nan 0.000 0.428 223 P HA -0.039 nan 4.420 nan 0.000 0.229 223 P C 0.241 177.550 177.300 0.015 0.000 1.485 223 P CA 0.485 63.596 63.100 0.018 0.000 1.217 223 P CB -0.232 31.480 31.700 0.019 0.000 1.852 224 G N -0.066 108.741 108.800 0.012 0.000 2.656 224 G HA2 -0.034 3.926 3.960 0.001 0.000 0.211 224 G HA3 -0.034 3.926 3.960 0.001 0.000 0.211 224 G C 0.816 175.721 174.900 0.009 0.000 1.137 224 G CA 0.734 45.840 45.100 0.010 0.000 0.802 224 G HN 0.307 nan 8.290 nan 0.000 0.527 225 T N -0.504 114.055 114.554 0.009 0.000 7.880 225 T HA -0.164 4.186 4.350 0.001 0.000 0.303 225 T C -1.966 172.737 174.700 0.005 0.000 2.087 225 T CA 1.000 63.104 62.100 0.008 0.000 3.396 225 T CB -2.104 66.768 68.868 0.007 0.000 1.703 225 T HN 0.407 nan 8.240 nan 0.000 0.997 226 P HA 0.211 nan 4.420 nan 0.000 0.263 226 P C -2.030 175.271 177.300 0.001 0.000 1.195 226 P CA -0.722 62.379 63.100 0.001 0.000 0.762 226 P CB 0.470 32.170 31.700 -0.001 0.000 0.799 227 P HA -0.069 nan 4.420 nan 0.000 0.235 227 P C 0.861 178.160 177.300 -0.001 0.000 1.177 227 P CA 0.625 63.725 63.100 0.000 0.000 0.785 227 P CB 0.118 31.818 31.700 -0.001 0.000 0.885 228 E N 0.915 121.113 120.200 -0.003 0.000 4.419 228 E HA -0.123 4.228 4.350 0.001 0.000 0.578 228 E C 0.427 177.026 176.600 -0.003 0.000 0.554 228 E CA 0.785 57.183 56.400 -0.004 0.000 3.917 228 E CB -0.843 28.854 29.700 -0.006 0.000 1.893 228 E HN -0.092 nan 8.360 nan 0.000 0.303 229 K N 0.925 121.321 120.400 -0.006 0.000 3.173 229 K HA 0.286 4.607 4.320 0.001 0.000 0.255 229 K C -0.275 176.323 176.600 -0.004 0.000 1.235 229 K CA -0.251 56.033 56.287 -0.005 0.000 1.250 229 K CB -0.709 31.786 32.500 -0.009 0.000 1.382 229 K HN 0.280 nan 8.250 nan 0.000 0.421 230 L N 2.084 123.306 121.223 -0.000 0.000 2.462 230 L HA 0.056 4.397 4.340 0.001 0.000 0.272 230 L C 0.666 177.542 176.870 0.010 0.000 1.166 230 L CA -0.054 54.787 54.840 0.003 0.000 0.880 230 L CB 0.138 42.200 42.059 0.005 0.000 1.142 230 L HN 0.004 nan 8.230 nan 0.000 0.473 231 V N 2.847 122.768 119.914 0.012 0.000 3.005 231 V HA -0.034 4.087 4.120 0.001 0.000 0.287 231 V C 1.190 177.302 176.094 0.029 0.000 1.344 231 V CA 0.495 62.809 62.300 0.022 0.000 1.410 231 V CB -0.645 31.195 31.823 0.028 0.000 0.913 231 V HN 0.989 nan 8.190 nan 0.000 0.525 232 G N 1.926 110.746 108.800 0.034 0.000 2.782 232 G HA2 0.604 4.565 3.960 0.001 0.000 0.201 232 G HA3 0.604 4.565 3.960 0.001 0.000 0.201 232 G C 0.418 175.350 174.900 0.052 0.000 1.374 232 G CA -0.500 44.625 45.100 0.041 0.000 1.039 232 G HN 1.285 nan 8.290 nan 0.000 0.576 233 G N -1.657 107.177 108.800 0.056 0.000 2.484 233 G HA2 0.421 4.382 3.960 0.001 0.000 0.235 233 G HA3 0.421 4.382 3.960 0.001 0.000 0.235 233 G C -0.706 174.238 174.900 0.074 0.000 1.282 233 G CA 0.127 45.267 45.100 0.068 0.000 0.857 233 G HN 0.697 nan 8.290 nan 0.000 0.571 234 V N 2.947 122.929 119.914 0.114 0.000 2.638 234 V HA 0.480 4.600 4.120 0.001 0.000 0.306 234 V C -0.019 176.202 176.094 0.212 0.000 1.052 234 V CA -0.627 61.746 62.300 0.121 0.000 0.885 234 V CB 1.690 33.556 31.823 0.072 0.000 0.999 234 V HN 0.632 nan 8.190 nan 0.000 0.424 235 L N 3.194 124.499 121.223 0.137 0.000 2.346 235 L HA 0.709 5.050 4.340 0.001 0.000 0.274 235 L C -1.219 175.728 176.870 0.129 0.000 1.007 235 L CA -0.619 54.303 54.840 0.136 0.000 0.818 235 L CB 2.251 44.335 42.059 0.042 0.000 1.284 235 L HN 0.557 nan 8.230 nan 0.000 0.424 236 D N 1.576 122.081 120.400 0.176 0.000 2.408 236 D HA 0.708 5.349 4.640 0.001 0.000 0.243 236 D C -0.083 176.201 176.300 -0.027 0.000 1.075 236 D CA -0.006 54.046 54.000 0.087 0.000 0.832 236 D CB 2.263 43.192 40.800 0.215 0.000 1.162 236 D HN 0.704 nan 8.370 nan 0.000 0.515 237 G N -0.177 108.565 108.800 -0.097 0.000 2.682 237 G HA2 0.516 4.477 3.960 0.001 0.000 0.303 237 G HA3 0.516 4.477 3.960 0.001 0.000 0.303 237 G C -1.297 173.491 174.900 -0.186 0.000 1.341 237 G CA -0.781 44.235 45.100 -0.140 0.000 0.784 237 G HN 0.234 nan 8.290 nan 0.000 0.497 238 S N 0.423 116.034 115.700 -0.149 0.000 2.520 238 S HA 0.438 4.908 4.470 0.001 0.000 0.324 238 S C 0.351 174.928 174.600 -0.038 0.000 1.069 238 S CA -0.356 57.782 58.200 -0.103 0.000 1.121 238 S CB 0.601 63.778 63.200 -0.039 0.000 0.971 238 S HN 0.475 nan 8.310 nan 0.000 0.463 239 I N 2.966 123.518 120.570 -0.031 0.000 2.775 239 I HA -0.006 4.165 4.170 0.001 0.000 0.290 239 I C 1.194 177.316 176.117 0.008 0.000 1.203 239 I CA 0.086 61.377 61.300 -0.015 0.000 1.433 239 I CB 0.603 38.594 38.000 -0.015 0.000 1.354 239 I HN 0.552 nan 8.210 nan 0.000 0.579 240 V N 1.942 121.861 119.914 0.009 0.000 3.398 240 V HA 0.368 4.489 4.120 0.001 0.000 0.298 240 V C -0.050 176.055 176.094 0.018 0.000 1.496 240 V CA -0.080 62.231 62.300 0.018 0.000 1.044 240 V CB 0.059 31.892 31.823 0.016 0.000 0.880 240 V HN 0.903 nan 8.190 nan 0.000 0.443 241 Q N -0.174 119.635 119.800 0.015 0.000 2.443 241 Q HA 0.508 4.849 4.340 0.001 0.000 0.258 241 Q C 0.179 176.185 176.000 0.010 0.000 0.967 241 Q CA 0.396 56.208 55.803 0.016 0.000 0.951 241 Q CB 1.583 30.328 28.738 0.013 0.000 1.459 241 Q HN 1.097 nan 8.270 nan 0.000 0.415 242 G N 3.170 111.982 108.800 0.019 0.000 2.531 242 G HA2 -0.329 3.632 3.960 0.001 0.000 0.274 242 G HA3 -0.329 3.632 3.960 0.001 0.000 0.274 242 G C -0.950 173.944 174.900 -0.010 0.000 1.159 242 G CA 0.536 45.642 45.100 0.010 0.000 0.969 242 G HN 0.981 nan 8.290 nan 0.000 0.554 243 K N -1.511 118.854 120.400 -0.058 0.000 2.625 243 K HA 0.720 5.041 4.320 0.001 0.000 0.284 243 K C -1.217 175.295 176.600 -0.146 0.000 0.984 243 K CA -1.167 55.030 56.287 -0.151 0.000 0.865 243 K CB 1.006 33.344 32.500 -0.270 0.000 1.468 243 K HN 0.700 nan 8.250 nan 0.000 0.407 244 L N 1.154 122.263 121.223 -0.189 0.000 2.334 244 L HA 0.614 4.955 4.340 0.001 0.000 0.273 244 L C -0.683 176.090 176.870 -0.162 0.000 1.013 244 L CA -0.937 53.822 54.840 -0.135 0.000 0.816 244 L CB 1.958 43.955 42.059 -0.104 0.000 1.278 244 L HN 0.697 nan 8.230 nan 0.000 0.431 245 K N 1.381 121.718 120.400 -0.105 0.000 2.482 245 K HA 0.416 4.737 4.320 0.001 0.000 0.251 245 K C -1.069 175.503 176.600 -0.048 0.000 0.936 245 K CA -0.691 55.543 56.287 -0.089 0.000 0.791 245 K CB 2.383 34.836 32.500 -0.079 0.000 1.213 245 K HN 0.282 nan 8.250 nan 0.000 0.428 246 V N 3.013 122.909 119.914 -0.031 0.000 2.752 246 V HA 0.027 4.147 4.120 0.001 0.000 0.306 246 V C 1.399 177.487 176.094 -0.010 0.000 1.099 246 V CA 2.091 64.386 62.300 -0.009 0.000 1.240 246 V CB 0.566 32.393 31.823 0.008 0.000 0.887 246 V HN 1.156 nan 8.190 nan 0.000 0.499 247 G N 3.537 112.334 108.800 -0.005 0.000 2.175 247 G HA2 -0.190 3.771 3.960 0.001 0.000 0.244 247 G HA3 -0.190 3.771 3.960 0.001 0.000 0.244 247 G C -0.208 174.686 174.900 -0.008 0.000 0.982 247 G CA 0.095 45.192 45.100 -0.005 0.000 0.641 247 G HN 0.745 nan 8.290 nan 0.000 0.527 248 D N 0.481 120.873 120.400 -0.014 0.000 2.302 248 D HA 0.486 5.127 4.640 0.001 0.000 0.248 248 D C 0.322 176.616 176.300 -0.010 0.000 1.094 248 D CA -0.058 53.932 54.000 -0.016 0.000 0.897 248 D CB 1.025 41.810 40.800 -0.026 0.000 1.200 248 D HN 0.351 nan 8.370 nan 0.000 0.429 249 E N 2.448 122.642 120.200 -0.009 0.000 2.115 249 E HA 0.328 4.679 4.350 0.001 0.000 0.282 249 E C -0.552 176.044 176.600 -0.006 0.000 0.987 249 E CA -0.539 55.858 56.400 -0.004 0.000 0.797 249 E CB 0.388 30.087 29.700 -0.002 0.000 1.086 249 E HN 0.449 nan 8.360 nan 0.000 0.397 250 I N 0.627 121.194 120.570 -0.005 0.000 2.863 250 I HA 0.555 4.725 4.170 0.001 0.000 0.311 250 I C -0.397 175.719 176.117 -0.002 0.000 1.026 250 I CA -0.986 60.310 61.300 -0.006 0.000 1.077 250 I CB 1.850 39.845 38.000 -0.009 0.000 1.262 250 I HN 0.421 nan 8.210 nan 0.000 0.461 251 E N 4.574 124.773 120.200 -0.002 0.000 2.155 251 E HA 0.412 4.763 4.350 0.001 0.000 0.264 251 E C -0.921 175.678 176.600 -0.001 0.000 0.886 251 E CA -0.785 55.615 56.400 0.001 0.000 0.752 251 E CB 1.400 31.101 29.700 0.002 0.000 1.133 251 E HN 0.518 nan 8.360 nan 0.000 0.414 252 I N 3.181 123.751 120.570 -0.000 0.000 2.823 252 I HA 0.117 4.288 4.170 0.001 0.000 0.290 252 I C 1.400 177.514 176.117 -0.004 0.000 1.091 252 I CA -0.281 61.016 61.300 -0.006 0.000 1.365 252 I CB 0.656 38.652 38.000 -0.007 0.000 1.427 252 I HN 0.616 nan 8.210 nan 0.000 0.583 253 R N 5.428 125.921 120.500 -0.012 0.000 1.841 253 R HA 0.143 4.484 4.340 0.001 0.000 0.157 253 R C -0.975 175.318 176.300 -0.011 0.000 1.339 253 R CA 0.254 56.349 56.100 -0.009 0.000 1.482 253 R CB -1.703 28.592 30.300 -0.008 0.000 0.808 253 R HN 0.258 nan 8.270 nan 0.000 0.551 254 P HA -0.083 nan 4.420 nan 0.000 0.218 254 P C 0.050 177.356 177.300 0.009 0.000 1.165 254 P CA 2.345 65.403 63.100 -0.070 0.000 0.922 254 P CB -0.138 31.412 31.700 -0.250 0.000 0.794 255 G N -3.043 105.752 108.800 -0.009 0.000 2.549 255 G HA2 -0.093 3.868 3.960 0.001 0.000 0.404 255 G HA3 -0.093 3.868 3.960 0.001 0.000 0.404 255 G C -0.896 174.081 174.900 0.129 0.000 1.292 255 G CA -0.528 44.604 45.100 0.053 0.000 0.935 255 G HN 0.164 nan 8.290 nan 0.000 0.512 256 V N 2.138 122.093 119.914 0.069 0.000 2.546 256 V HA 0.489 4.610 4.120 0.001 0.000 0.284 256 V C -1.478 174.592 176.094 -0.040 0.000 1.050 256 V CA -0.834 61.475 62.300 0.015 0.000 0.981 256 V CB 1.363 33.115 31.823 -0.118 0.000 0.990 256 V HN 0.679 nan 8.190 nan 0.000 0.474 257 P HA 0.295 nan 4.420 nan 0.000 0.272 257 P C -1.249 175.895 177.300 -0.260 0.000 1.240 257 P CA -0.004 62.927 63.100 -0.283 0.000 0.791 257 P CB 0.435 31.967 31.700 -0.280 0.000 0.978 258 Y N -0.907 119.343 120.300 -0.084 0.000 2.665 258 Y HA 0.306 4.857 4.550 0.001 0.000 0.336 258 Y C 0.481 176.395 175.900 0.024 0.000 1.085 258 Y CA -1.230 56.886 58.100 0.027 0.000 1.096 258 Y CB 1.255 39.786 38.460 0.118 0.000 1.301 258 Y HN 0.301 nan 8.280 nan 0.000 0.493 259 E N 1.723 122.113 120.200 0.316 0.000 2.217 259 E HA 0.096 4.447 4.350 0.001 0.000 0.279 259 E C -0.649 175.877 176.600 -0.124 0.000 1.068 259 E CA -0.304 56.117 56.400 0.035 0.000 0.882 259 E CB 0.282 29.957 29.700 -0.041 0.000 1.039 259 E HN 0.559 nan 8.360 nan 0.000 0.418 260 E N 3.533 123.707 120.200 -0.042 0.000 3.484 260 E HA -0.239 4.111 4.350 0.001 0.000 0.226 260 E C -0.556 175.977 176.600 -0.112 0.000 0.976 260 E CA 0.920 57.304 56.400 -0.027 0.000 0.922 260 E CB 0.014 29.700 29.700 -0.024 0.000 0.897 260 E HN 0.550 nan 8.360 nan 0.000 0.572 261 H N 2.723 121.782 119.070 -0.018 0.000 2.368 261 H HA 0.230 4.787 4.556 0.001 0.000 0.311 261 H C 1.547 176.865 175.328 -0.017 0.000 1.042 261 H CA 0.888 56.921 56.048 -0.026 0.000 1.377 261 H CB -0.203 29.537 29.762 -0.037 0.000 1.473 261 H HN 0.528 nan 8.280 nan 0.000 0.593 262 G N 0.068 108.970 108.800 0.169 0.000 3.086 262 G HA2 0.185 4.146 3.960 0.001 0.000 0.159 262 G HA3 0.185 4.146 3.960 0.001 0.000 0.159 262 G C 0.871 175.806 174.900 0.058 0.000 1.654 262 G CA -0.234 44.912 45.100 0.078 0.000 1.078 262 G HN 0.191 nan 8.290 nan 0.000 0.558 263 R N -0.889 119.634 120.500 0.039 0.000 2.040 263 R HA 0.324 4.664 4.340 0.001 0.000 0.209 263 R C 0.126 176.429 176.300 0.005 0.000 1.281 263 R CA 0.389 56.501 56.100 0.021 0.000 1.064 263 R CB -0.198 30.113 30.300 0.018 0.000 0.950 263 R HN 0.459 nan 8.270 nan 0.000 0.462 264 I N -0.039 120.522 120.570 -0.016 0.000 2.498 264 I HA 0.495 4.665 4.170 0.001 0.000 0.290 264 I C -0.801 175.242 176.117 -0.125 0.000 1.032 264 I CA -0.869 60.371 61.300 -0.099 0.000 1.073 264 I CB 2.142 40.077 38.000 -0.109 0.000 1.251 264 I HN -0.135 nan 8.210 nan 0.000 0.426 265 K N 4.930 125.200 120.400 -0.216 0.000 2.553 265 K HA 0.447 4.767 4.320 0.001 0.000 0.250 265 K C -2.072 174.385 176.600 -0.237 0.000 0.953 265 K CA -0.745 55.460 56.287 -0.137 0.000 0.800 265 K CB 2.239 34.732 32.500 -0.012 0.000 1.243 265 K HN 0.591 nan 8.250 nan 0.000 0.435 266 Y N 1.194 121.522 120.300 0.047 0.000 2.330 266 Y HA 0.303 4.854 4.550 0.001 0.000 0.336 266 Y C 0.334 176.252 175.900 0.029 0.000 1.036 266 Y CA -0.665 57.449 58.100 0.023 0.000 1.125 266 Y CB 1.686 40.151 38.460 0.009 0.000 1.194 266 Y HN 0.483 nan 8.280 nan 0.000 0.469 267 E N 5.720 126.015 120.200 0.159 0.000 2.179 267 E HA 0.404 4.754 4.350 0.001 0.000 0.275 267 E C -2.749 173.904 176.600 0.088 0.000 0.945 267 E CA -2.812 53.660 56.400 0.120 0.000 0.792 267 E CB 1.248 31.043 29.700 0.158 0.000 1.125 267 E HN 0.197 nan 8.360 nan 0.000 0.397 268 P HA 0.083 nan 4.420 nan 0.000 0.271 268 P C -0.593 176.728 177.300 0.036 0.000 1.220 268 P CA -0.046 63.079 63.100 0.042 0.000 0.768 268 P CB 0.581 32.298 31.700 0.029 0.000 0.848 269 I N 2.197 122.781 120.570 0.024 0.000 2.648 269 I HA 0.620 4.791 4.170 0.001 0.000 0.304 269 I C -0.373 175.753 176.117 0.015 0.000 1.009 269 I CA -0.403 60.909 61.300 0.020 0.000 1.114 269 I CB 2.376 40.383 38.000 0.012 0.000 1.293 269 I HN 0.349 nan 8.210 nan 0.000 0.449 270 T N 2.348 116.913 114.554 0.017 0.000 2.856 270 T HA 0.717 5.068 4.350 0.001 0.000 0.283 270 T C -0.337 174.371 174.700 0.013 0.000 1.008 270 T CA -0.513 61.595 62.100 0.013 0.000 0.997 270 T CB 1.634 70.510 68.868 0.013 0.000 0.992 270 T HN 0.877 nan 8.240 nan 0.000 0.454 271 T N 0.683 115.243 114.554 0.010 0.000 2.754 271 T HA 0.523 4.874 4.350 0.001 0.000 0.296 271 T C -1.838 172.867 174.700 0.007 0.000 1.205 271 T CA -0.674 61.432 62.100 0.011 0.000 1.009 271 T CB 2.103 70.979 68.868 0.013 0.000 1.368 271 T HN 0.861 nan 8.240 nan 0.000 0.509 272 E N 1.333 121.538 120.200 0.008 0.000 2.187 272 E HA 0.512 4.862 4.350 0.001 0.000 0.268 272 E C -0.589 176.015 176.600 0.007 0.000 0.896 272 E CA -0.655 55.748 56.400 0.006 0.000 0.766 272 E CB 1.006 30.709 29.700 0.006 0.000 1.142 272 E HN 0.523 nan 8.360 nan 0.000 0.408 273 I N 5.000 125.572 120.570 0.003 0.000 2.517 273 I HA -0.027 4.143 4.170 0.001 0.000 0.285 273 I C 0.930 177.054 176.117 0.011 0.000 1.106 273 I CA -0.069 61.234 61.300 0.005 0.000 1.402 273 I CB 0.979 38.976 38.000 -0.005 0.000 1.399 273 I HN 0.537 nan 8.210 nan 0.000 0.535 274 V N 4.902 124.828 119.914 0.021 0.000 2.672 274 V HA -0.001 4.120 4.120 0.001 0.000 0.242 274 V C 0.807 176.927 176.094 0.044 0.000 1.059 274 V CA 1.174 63.489 62.300 0.025 0.000 1.081 274 V CB 0.560 32.399 31.823 0.026 0.000 0.752 274 V HN 0.905 nan 8.190 nan 0.000 0.472 275 S N -0.909 114.829 115.700 0.065 0.000 2.618 275 S HA 0.769 5.240 4.470 0.001 0.000 0.277 275 S C -1.289 173.362 174.600 0.085 0.000 1.138 275 S CA -0.663 57.609 58.200 0.121 0.000 0.844 275 S CB 2.441 65.773 63.200 0.221 0.000 1.127 275 S HN 0.047 nan 8.310 nan 0.000 0.474 276 L N 1.119 122.400 121.223 0.096 0.000 2.528 276 L HA 0.459 4.800 4.340 0.001 0.000 0.267 276 L C -0.952 175.854 176.870 -0.107 0.000 0.961 276 L CA -0.373 54.460 54.840 -0.012 0.000 0.866 276 L CB 2.186 44.233 42.059 -0.021 0.000 1.248 276 L HN 0.747 nan 8.230 nan 0.000 0.404 277 Q N 2.590 122.236 119.800 -0.256 0.000 2.271 277 Q HA 0.815 5.156 4.340 0.001 0.000 0.258 277 Q C -0.636 175.224 176.000 -0.232 0.000 0.936 277 Q CA -0.545 54.991 55.803 -0.444 0.000 0.909 277 Q CB 2.788 31.142 28.738 -0.639 0.000 1.253 277 Q HN 0.667 nan 8.270 nan 0.000 0.440 278 A N 1.150 123.864 122.820 -0.177 0.000 2.513 278 A HA 0.585 4.906 4.320 0.001 0.000 0.285 278 A C 0.233 177.782 177.584 -0.060 0.000 1.047 278 A CA 0.167 52.151 52.037 -0.088 0.000 0.864 278 A CB 0.515 19.496 19.000 -0.032 0.000 1.373 278 A HN 0.865 nan 8.150 nan 0.000 0.403 279 G N 0.729 109.500 108.800 -0.048 0.000 2.141 279 G HA2 0.284 4.244 3.960 0.001 0.000 0.231 279 G HA3 0.284 4.244 3.960 0.001 0.000 0.231 279 G C 1.590 176.473 174.900 -0.028 0.000 0.984 279 G CA 1.212 46.292 45.100 -0.034 0.000 0.660 279 G HN 2.894 nan 8.290 nan 0.000 0.525 280 G N -1.618 107.153 108.800 -0.049 0.000 2.234 280 G HA2 -0.150 3.810 3.960 0.001 0.000 0.235 280 G HA3 -0.150 3.810 3.960 0.001 0.000 0.235 280 G C 0.372 175.243 174.900 -0.048 0.000 0.997 280 G CA 1.268 46.352 45.100 -0.028 0.000 0.623 280 G HN 1.337 nan 8.290 nan 0.000 0.514 281 Q N -0.920 118.844 119.800 -0.061 0.000 2.576 281 Q HA 0.788 5.129 4.340 0.001 0.000 0.249 281 Q C -0.935 174.994 176.000 -0.119 0.000 1.041 281 Q CA -1.018 54.793 55.803 0.012 0.000 0.928 281 Q CB 1.080 29.858 28.738 0.067 0.000 1.302 281 Q HN 0.159 nan 8.270 nan 0.000 0.504 282 F N 0.930 120.877 119.950 -0.004 0.000 2.436 282 F HA 0.487 5.015 4.527 0.001 0.000 0.340 282 F C 0.058 175.855 175.800 -0.004 0.000 1.113 282 F CA -0.808 57.187 58.000 -0.007 0.000 1.022 282 F CB 1.611 40.605 39.000 -0.010 0.000 1.128 282 F HN 0.308 nan 8.300 nan 0.000 0.466 283 V N -0.099 119.891 119.914 0.127 0.000 3.113 283 V HA 0.599 4.720 4.120 0.001 0.000 0.316 283 V C 0.053 176.189 176.094 0.070 0.000 1.125 283 V CA -0.790 61.562 62.300 0.086 0.000 1.026 283 V CB 2.083 33.943 31.823 0.062 0.000 1.080 283 V HN 0.789 nan 8.190 nan 0.000 0.444 284 E N 0.002 120.230 120.200 0.048 0.000 2.481 284 E HA 0.311 4.661 4.350 0.001 0.000 0.198 284 E C -0.106 176.483 176.600 -0.017 0.000 1.027 284 E CA 0.247 56.661 56.400 0.023 0.000 0.900 284 E CB 0.798 30.512 29.700 0.024 0.000 0.993 284 E HN 0.819 nan 8.360 nan 0.000 0.482 285 E N 0.626 120.806 120.200 -0.033 0.000 2.343 285 E HA 0.484 4.834 4.350 0.001 0.000 0.288 285 E C -1.790 174.659 176.600 -0.251 0.000 0.907 285 E CA -0.446 55.853 56.400 -0.168 0.000 0.792 285 E CB 1.517 31.128 29.700 -0.149 0.000 1.275 285 E HN 0.120 nan 8.360 nan 0.000 0.402 286 A N 3.182 125.780 122.820 -0.371 0.000 2.337 286 A HA 0.829 5.150 4.320 0.001 0.000 0.331 286 A C -1.598 175.693 177.584 -0.488 0.000 1.137 286 A CA -0.378 51.511 52.037 -0.247 0.000 0.807 286 A CB 0.588 19.525 19.000 -0.106 0.000 1.250 286 A HN 0.522 nan 8.150 nan 0.000 0.468 287 Y N -0.323 119.965 120.300 -0.020 0.000 2.634 287 Y HA 0.586 5.137 4.550 0.001 0.000 0.340 287 Y C -2.362 173.529 175.900 -0.015 0.000 1.058 287 Y CA -2.895 55.197 58.100 -0.014 0.000 1.081 287 Y CB 0.908 39.363 38.460 -0.009 0.000 1.295 287 Y HN 0.443 nan 8.280 nan 0.000 0.487 288 P HA 0.315 nan 4.420 nan 0.000 0.268 288 P C -0.279 177.070 177.300 0.082 0.000 1.205 288 P CA 0.418 63.570 63.100 0.087 0.000 0.771 288 P CB 0.794 32.536 31.700 0.070 0.000 0.858 289 G N 0.811 109.652 108.800 0.068 0.000 3.220 289 G HA2 0.468 4.429 3.960 0.001 0.000 0.636 289 G HA3 0.468 4.429 3.960 0.001 0.000 0.636 289 G C -0.135 174.808 174.900 0.071 0.000 1.226 289 G CA 0.235 45.373 45.100 0.063 0.000 1.177 289 G HN 0.885 nan 8.290 nan 0.000 0.527 290 G N -0.177 108.701 108.800 0.131 0.000 2.660 290 G HA2 0.243 4.204 3.960 0.001 0.000 0.215 290 G HA3 0.243 4.204 3.960 0.001 0.000 0.215 290 G C -0.514 174.373 174.900 -0.022 0.000 1.345 290 G CA 0.031 45.216 45.100 0.141 0.000 0.877 290 G HN 1.821 nan 8.290 nan 0.000 0.549 291 L N -0.488 120.667 121.223 -0.115 0.000 2.334 291 L HA 0.765 5.106 4.340 0.001 0.000 0.275 291 L C 0.311 177.092 176.870 -0.148 0.000 1.036 291 L CA -0.645 54.030 54.840 -0.274 0.000 0.807 291 L CB 1.958 43.836 42.059 -0.302 0.000 1.231 291 L HN 0.723 nan 8.230 nan 0.000 0.438 292 V N 2.321 122.147 119.914 -0.146 0.000 2.487 292 V HA 0.627 4.748 4.120 0.001 0.000 0.298 292 V C 0.309 176.347 176.094 -0.095 0.000 1.028 292 V CA -0.684 61.553 62.300 -0.104 0.000 0.860 292 V CB 1.511 33.285 31.823 -0.082 0.000 0.991 292 V HN 0.839 nan 8.190 nan 0.000 0.427 293 G N 4.689 113.422 108.800 -0.112 0.000 2.504 293 G HA2 0.564 4.525 3.960 0.001 0.000 0.326 293 G HA3 0.564 4.525 3.960 0.001 0.000 0.326 293 G C -0.616 174.240 174.900 -0.075 0.000 1.073 293 G CA -0.307 44.731 45.100 -0.102 0.000 1.030 293 G HN 0.737 nan 8.290 nan 0.000 0.448 294 I N 2.100 122.652 120.570 -0.030 0.000 2.472 294 I HA 0.763 4.934 4.170 0.001 0.000 0.290 294 I C 0.404 176.529 176.117 0.014 0.000 1.016 294 I CA -0.867 60.426 61.300 -0.011 0.000 1.348 294 I CB 1.670 39.664 38.000 -0.010 0.000 1.417 294 I HN 0.297 nan 8.210 nan 0.000 0.521 295 G N 5.224 114.040 108.800 0.027 0.000 2.368 295 G HA2 0.588 4.549 3.960 0.001 0.000 0.320 295 G HA3 0.588 4.549 3.960 0.001 0.000 0.320 295 G C -0.380 174.540 174.900 0.033 0.000 1.158 295 G CA -0.101 45.024 45.100 0.042 0.000 0.912 295 G HN 0.915 nan 8.290 nan 0.000 0.456 296 T N -0.909 113.665 114.554 0.034 0.000 2.927 296 T HA 0.465 4.816 4.350 0.001 0.000 0.286 296 T C 0.714 175.430 174.700 0.027 0.000 1.040 296 T CA -0.914 61.202 62.100 0.027 0.000 1.010 296 T CB 2.178 71.062 68.868 0.026 0.000 1.177 296 T HN 0.337 nan 8.240 nan 0.000 0.546 297 K N 0.143 120.556 120.400 0.022 0.000 2.417 297 K HA 0.314 4.635 4.320 0.001 0.000 0.196 297 K C 0.340 176.955 176.600 0.025 0.000 1.023 297 K CA -0.160 56.140 56.287 0.021 0.000 1.122 297 K CB -0.152 32.358 32.500 0.016 0.000 0.850 297 K HN 0.405 nan 8.250 nan 0.000 0.521 298 L N 1.716 122.956 121.223 0.029 0.000 2.452 298 L HA 0.051 4.392 4.340 0.001 0.000 0.267 298 L C 0.590 177.486 176.870 0.045 0.000 1.188 298 L CA -0.396 54.464 54.840 0.034 0.000 0.821 298 L CB 0.306 42.384 42.059 0.032 0.000 1.102 298 L HN 0.122 nan 8.230 nan 0.000 0.470 299 D N 3.086 123.517 120.400 0.053 0.000 2.363 299 D HA 0.038 4.679 4.640 0.001 0.000 0.263 299 D C -1.662 174.699 176.300 0.102 0.000 1.258 299 D CA -1.537 52.508 54.000 0.075 0.000 0.907 299 D CB 1.447 42.299 40.800 0.087 0.000 1.107 299 D HN 0.190 nan 8.370 nan 0.000 0.495 300 P HA -0.184 nan 4.420 nan 0.000 0.218 300 P C 0.973 178.350 177.300 0.128 0.000 1.146 300 P CA 0.857 64.018 63.100 0.101 0.000 0.820 300 P CB -0.087 31.669 31.700 0.094 0.000 0.778 301 Y N -0.259 120.048 120.300 0.012 0.000 2.483 301 Y HA -0.117 4.434 4.550 0.001 0.000 0.291 301 Y C 1.771 177.671 175.900 0.001 0.000 1.143 301 Y CA 1.245 59.349 58.100 0.007 0.000 1.289 301 Y CB -0.646 37.817 38.460 0.005 0.000 0.983 301 Y HN -0.084 nan 8.280 nan 0.000 0.556 302 L N -1.456 119.816 121.223 0.081 0.000 2.463 302 L HA -0.003 4.337 4.340 0.001 0.000 0.219 302 L C 2.097 178.950 176.870 -0.028 0.000 1.088 302 L CA 1.237 56.082 54.840 0.009 0.000 0.849 302 L CB -0.214 41.868 42.059 0.038 0.000 1.012 302 L HN 0.208 nan 8.230 nan 0.000 0.468 303 T N -4.214 110.334 114.554 -0.010 0.000 2.990 303 T HA 0.049 4.399 4.350 0.001 0.000 0.250 303 T C 0.936 175.608 174.700 -0.048 0.000 1.041 303 T CA -0.308 61.777 62.100 -0.025 0.000 1.010 303 T CB 0.223 69.104 68.868 0.022 0.000 1.003 303 T HN -0.033 nan 8.240 nan 0.000 0.499 304 K N 1.241 121.618 120.400 -0.037 0.000 2.542 304 K HA 0.265 4.586 4.320 0.001 0.000 0.276 304 K C 1.347 177.893 176.600 -0.090 0.000 0.963 304 K CA 1.148 57.409 56.287 -0.043 0.000 0.975 304 K CB -0.326 32.137 32.500 -0.061 0.000 0.901 304 K HN 0.443 nan 8.250 nan 0.000 0.506 305 G N 2.886 111.640 108.800 -0.077 0.000 2.233 305 G HA2 -0.299 3.662 3.960 0.001 0.000 0.270 305 G HA3 -0.299 3.662 3.960 0.001 0.000 0.270 305 G C -0.131 174.688 174.900 -0.136 0.000 1.011 305 G CA 0.689 45.733 45.100 -0.094 0.000 0.762 305 G HN 1.012 nan 8.290 nan 0.000 0.511 306 D N -1.799 118.480 120.400 -0.201 0.000 2.723 306 D HA -0.184 4.457 4.640 0.001 0.000 0.236 306 D C 1.649 177.848 176.300 -0.169 0.000 1.138 306 D CA 1.205 55.053 54.000 -0.253 0.000 0.676 306 D CB -1.073 39.565 40.800 -0.270 0.000 1.069 306 D HN 0.540 nan 8.370 nan 0.000 0.430 307 L N -0.516 120.627 121.223 -0.134 0.000 2.179 307 L HA -0.052 4.289 4.340 0.001 0.000 0.208 307 L C 2.668 179.479 176.870 -0.098 0.000 1.096 307 L CA 0.602 55.382 54.840 -0.100 0.000 0.779 307 L CB -0.208 41.802 42.059 -0.083 0.000 0.922 307 L HN 0.176 nan 8.230 nan 0.000 0.443 308 M N -0.076 119.461 119.600 -0.105 0.000 2.476 308 M HA 0.046 4.527 4.480 0.001 0.000 0.262 308 M C 1.208 177.442 176.300 -0.111 0.000 1.079 308 M CA 0.247 55.491 55.300 -0.094 0.000 1.104 308 M CB -0.920 31.636 32.600 -0.073 0.000 1.409 308 M HN 0.134 nan 8.290 nan 0.000 0.467 309 A N 0.709 123.447 122.820 -0.136 0.000 2.584 309 A HA 0.331 4.652 4.320 0.001 0.000 0.239 309 A C 1.436 178.951 177.584 -0.114 0.000 1.043 309 A CA 1.142 53.099 52.037 -0.134 0.000 0.756 309 A CB -0.498 18.411 19.000 -0.153 0.000 0.963 309 A HN 0.814 nan 8.150 nan 0.000 0.511 310 G N 2.223 110.965 108.800 -0.098 0.000 2.238 310 G HA2 -0.226 3.735 3.960 0.001 0.000 0.217 310 G HA3 -0.226 3.735 3.960 0.001 0.000 0.217 310 G C 0.239 175.087 174.900 -0.085 0.000 0.996 310 G CA 0.213 45.258 45.100 -0.092 0.000 0.632 310 G HN 0.910 nan 8.290 nan 0.000 0.503 311 N N -0.378 118.270 118.700 -0.086 0.000 2.317 311 N HA 0.496 5.237 4.740 0.001 0.000 0.245 311 N C -0.335 175.147 175.510 -0.047 0.000 1.294 311 N CA 0.305 53.313 53.050 -0.070 0.000 0.924 311 N CB 1.302 39.749 38.487 -0.067 0.000 1.186 311 N HN 0.147 nan 8.380 nan 0.000 0.495 312 V N 0.901 120.796 119.914 -0.032 0.000 2.823 312 V HA 0.461 4.582 4.120 0.001 0.000 0.312 312 V C -0.082 176.002 176.094 -0.016 0.000 1.072 312 V CA -0.783 61.505 62.300 -0.020 0.000 0.937 312 V CB 1.875 33.695 31.823 -0.005 0.000 1.013 312 V HN 0.302 nan 8.190 nan 0.000 0.430 313 V N 1.621 121.525 119.914 -0.016 0.000 2.919 313 V HA 1.068 5.188 4.120 0.001 0.000 0.316 313 V C 0.553 176.640 176.094 -0.012 0.000 1.077 313 V CA 0.203 62.494 62.300 -0.015 0.000 0.977 313 V CB 1.623 33.435 31.823 -0.019 0.000 1.039 313 V HN 1.235 nan 8.190 nan 0.000 0.441 314 G N 1.458 110.251 108.800 -0.011 0.000 2.428 314 G HA2 0.378 4.338 3.960 0.001 0.000 0.304 314 G HA3 0.378 4.338 3.960 0.001 0.000 0.304 314 G C -1.699 173.195 174.900 -0.010 0.000 1.303 314 G CA -0.943 44.151 45.100 -0.010 0.000 0.825 314 G HN 0.515 nan 8.290 nan 0.000 0.484 315 K N 1.901 122.296 120.400 -0.009 0.000 2.249 315 K HA 0.359 4.680 4.320 0.001 0.000 0.280 315 K C -2.173 174.424 176.600 -0.004 0.000 1.033 315 K CA -1.437 54.845 56.287 -0.008 0.000 0.946 315 K CB 1.434 33.929 32.500 -0.009 0.000 1.005 315 K HN 0.251 nan 8.250 nan 0.000 0.469 316 P HA -0.174 nan 4.420 nan 0.000 0.258 316 P C 0.582 177.881 177.300 -0.002 0.000 1.172 316 P CA 1.080 64.179 63.100 -0.001 0.000 0.762 316 P CB 0.616 32.317 31.700 0.000 0.000 0.764 317 G N 4.453 113.252 108.800 -0.002 0.000 2.850 317 G HA2 -0.224 3.737 3.960 0.001 0.000 0.207 317 G HA3 -0.224 3.737 3.960 0.001 0.000 0.207 317 G C -0.053 174.845 174.900 -0.003 0.000 1.302 317 G CA -0.346 44.752 45.100 -0.004 0.000 0.832 317 G HN 0.526 nan 8.290 nan 0.000 0.543 318 K N 1.232 121.631 120.400 -0.002 0.000 2.142 318 K HA 0.654 4.975 4.320 0.001 0.000 0.250 318 K C -0.588 176.015 176.600 0.004 0.000 1.148 318 K CA 0.026 56.313 56.287 0.001 0.000 1.040 318 K CB 0.479 32.980 32.500 0.001 0.000 1.569 318 K HN 0.272 nan 8.250 nan 0.000 0.361 319 L N 1.713 122.939 121.223 0.006 0.000 2.389 319 L HA 0.561 4.902 4.340 0.001 0.000 0.249 319 L C -2.366 174.518 176.870 0.022 0.000 1.083 319 L CA -2.111 52.737 54.840 0.012 0.000 0.876 319 L CB 1.336 43.401 42.059 0.009 0.000 1.489 319 L HN 0.254 nan 8.230 nan 0.000 0.412 320 P HA 0.394 nan 4.420 nan 0.000 0.277 320 P C -2.728 174.607 177.300 0.058 0.000 1.271 320 P CA -1.326 61.817 63.100 0.072 0.000 0.795 320 P CB 0.009 31.771 31.700 0.104 0.000 1.101 321 P HA 0.165 nan 4.420 nan 0.000 0.292 321 P C -0.675 176.583 177.300 -0.070 0.000 1.287 321 P CA -0.209 62.836 63.100 -0.092 0.000 0.800 321 P CB 0.686 32.233 31.700 -0.256 0.000 0.945 322 V N 4.678 124.529 119.914 -0.105 0.000 2.834 322 V HA 0.378 4.499 4.120 0.001 0.000 0.301 322 V C -1.046 174.984 176.094 -0.107 0.000 1.066 322 V CA 0.041 62.360 62.300 0.033 0.000 1.052 322 V CB 0.082 31.919 31.823 0.024 0.000 1.021 322 V HN 0.495 nan 8.190 nan 0.000 0.480 323 W N 2.826 124.125 121.300 -0.002 0.000 2.844 323 W HA 0.592 5.252 4.660 0.001 0.000 0.340 323 W C 0.744 177.270 176.519 0.012 0.000 1.093 323 W CA -0.421 56.926 57.345 0.004 0.000 1.212 323 W CB 1.857 31.316 29.460 -0.002 0.000 1.422 323 W HN 0.450 nan 8.180 nan 0.000 0.515 324 T N -0.741 113.955 114.554 0.236 0.000 2.954 324 T HA 0.162 4.512 4.350 0.001 0.000 0.252 324 T C -0.428 174.363 174.700 0.151 0.000 0.983 324 T CA 0.588 62.784 62.100 0.159 0.000 0.941 324 T CB -0.150 68.782 68.868 0.106 0.000 1.141 324 T HN 0.344 nan 8.240 nan 0.000 0.500 325 D N 0.324 120.843 120.400 0.197 0.000 2.531 325 D HA 0.599 5.240 4.640 0.001 0.000 0.244 325 D C -1.656 174.773 176.300 0.214 0.000 1.090 325 D CA -0.428 53.669 54.000 0.161 0.000 0.989 325 D CB 2.532 43.408 40.800 0.127 0.000 1.433 325 D HN 0.081 nan 8.370 nan 0.000 0.492 326 L N 1.359 122.651 121.223 0.115 0.000 2.588 326 L HA 0.308 4.649 4.340 0.001 0.000 0.263 326 L C -0.732 176.142 176.870 0.006 0.000 0.935 326 L CA -0.476 54.391 54.840 0.044 0.000 0.891 326 L CB 1.921 43.935 42.059 -0.075 0.000 1.318 326 L HN 0.452 nan 8.230 nan 0.000 0.409 327 R N 4.171 124.674 120.500 0.005 0.000 2.668 327 R HA 0.982 5.323 4.340 0.001 0.000 0.279 327 R C -1.736 174.531 176.300 -0.057 0.000 0.976 327 R CA -0.536 55.560 56.100 -0.008 0.000 0.978 327 R CB 1.430 31.745 30.300 0.026 0.000 1.133 327 R HN 0.578 nan 8.270 nan 0.000 0.484 328 L N 1.280 122.467 121.223 -0.060 0.000 2.465 328 L HA 0.365 4.706 4.340 0.001 0.000 0.257 328 L C -0.748 176.068 176.870 -0.088 0.000 0.988 328 L CA -0.860 53.931 54.840 -0.081 0.000 0.827 328 L CB 2.470 44.475 42.059 -0.091 0.000 1.397 328 L HN 0.772 nan 8.230 nan 0.000 0.410 329 E N 1.862 122.007 120.200 -0.092 0.000 1.924 329 E HA 0.263 4.614 4.350 0.001 0.000 0.261 329 E C -0.986 175.467 176.600 -0.244 0.000 1.088 329 E CA -0.517 55.802 56.400 -0.135 0.000 0.909 329 E CB 0.784 30.450 29.700 -0.056 0.000 1.112 329 E HN 0.326 nan 8.360 nan 0.000 0.425 330 V N 4.882 124.631 119.914 -0.274 0.000 2.585 330 V HA -0.017 4.103 4.120 0.001 0.000 0.296 330 V C 0.175 175.951 176.094 -0.530 0.000 1.035 330 V CA 0.360 62.469 62.300 -0.317 0.000 1.084 330 V CB 0.533 32.236 31.823 -0.200 0.000 0.953 330 V HN 0.625 nan 8.190 nan 0.000 0.483 331 H N 5.028 123.849 119.070 -0.414 0.000 3.036 331 H HA 0.383 4.940 4.556 0.001 0.000 0.295 331 H C -0.498 174.673 175.328 -0.261 0.000 1.124 331 H CA -0.518 55.291 56.048 -0.398 0.000 1.507 331 H CB 1.321 30.665 29.762 -0.696 0.000 1.591 331 H HN 0.477 nan 8.280 nan 0.000 0.510 332 L N 3.980 125.190 121.223 -0.022 0.000 2.426 332 L HA 0.211 4.551 4.340 0.001 0.000 0.271 332 L C 0.595 177.518 176.870 0.089 0.000 1.169 332 L CA -0.212 54.645 54.840 0.029 0.000 0.836 332 L CB 0.747 42.814 42.059 0.014 0.000 1.112 332 L HN 0.283 nan 8.230 nan 0.000 0.465 333 L N 2.070 123.359 121.223 0.111 0.000 2.379 333 L HA 0.253 4.594 4.340 0.001 0.000 0.269 333 L C 0.358 177.279 176.870 0.086 0.000 1.084 333 L CA -0.698 54.216 54.840 0.123 0.000 0.802 333 L CB 1.015 43.157 42.059 0.138 0.000 1.175 333 L HN 0.632 nan 8.230 nan 0.000 0.448 334 E N 1.614 121.862 120.200 0.080 0.000 2.069 334 E HA 0.230 4.581 4.350 0.001 0.000 0.254 334 E C -0.751 175.885 176.600 0.060 0.000 1.088 334 E CA -0.638 55.799 56.400 0.061 0.000 1.017 334 E CB 0.223 29.956 29.700 0.056 0.000 1.226 334 E HN 0.329 nan 8.360 nan 0.000 0.458 335 R N 1.518 122.055 120.500 0.060 0.000 2.539 335 R HA 0.147 4.487 4.340 0.001 0.000 0.275 335 R C 0.829 177.154 176.300 0.042 0.000 1.077 335 R CA -0.047 56.090 56.100 0.061 0.000 1.097 335 R CB 1.285 31.627 30.300 0.070 0.000 1.018 335 R HN 0.486 nan 8.270 nan 0.000 0.483 336 V N -0.739 119.194 119.914 0.032 0.000 3.359 336 V HA 0.104 4.224 4.120 0.001 0.000 0.245 336 V C 0.900 176.988 176.094 -0.009 0.000 1.247 336 V CA -0.106 62.199 62.300 0.008 0.000 1.145 336 V CB 0.312 32.133 31.823 -0.004 0.000 0.906 336 V HN 0.419 nan 8.190 nan 0.000 0.464 337 V N 2.985 122.889 119.914 -0.017 0.000 2.488 337 V HA 0.755 4.876 4.120 0.001 0.000 0.277 337 V C 0.448 176.542 176.094 0.000 0.000 1.046 337 V CA 1.256 63.528 62.300 -0.047 0.000 0.986 337 V CB 0.006 31.732 31.823 -0.163 0.000 0.989 337 V HN 1.210 nan 8.190 nan 0.000 0.475 338 G N 4.675 113.471 108.800 -0.006 0.000 2.270 338 G HA2 0.232 4.193 3.960 0.001 0.000 0.268 338 G HA3 0.232 4.193 3.960 0.001 0.000 0.268 338 G C -0.313 174.589 174.900 0.003 0.000 1.312 338 G CA -0.098 45.007 45.100 0.009 0.000 1.050 338 G HN 1.699 nan 8.290 nan 0.000 0.474 339 T N -1.891 112.666 114.554 0.005 0.000 2.885 339 T HA 0.605 4.956 4.350 0.001 0.000 0.285 339 T C 1.367 176.069 174.700 0.003 0.000 1.019 339 T CA 0.751 62.852 62.100 0.001 0.000 1.010 339 T CB 2.131 70.999 68.868 -0.001 0.000 1.022 339 T HN 1.357 nan 8.240 nan 0.000 0.466 340 E N 1.685 121.886 120.200 0.001 0.000 2.172 340 E HA -0.382 3.969 4.350 0.001 0.000 0.213 340 E C 1.455 178.057 176.600 0.003 0.000 1.051 340 E CA 1.968 58.370 56.400 0.002 0.000 0.860 340 E CB -0.678 29.022 29.700 0.000 0.000 0.755 340 E HN 0.735 nan 8.360 nan 0.000 0.462 341 Q N 1.254 121.054 119.800 0.001 0.000 1.921 341 Q HA -0.197 4.144 4.340 0.001 0.000 0.208 341 Q C 2.147 178.149 176.000 0.003 0.000 0.994 341 Q CA 2.474 58.277 55.803 -0.000 0.000 0.857 341 Q CB -0.669 28.066 28.738 -0.005 0.000 0.925 341 Q HN 0.419 nan 8.270 nan 0.000 0.421 342 E N 0.277 120.479 120.200 0.004 0.000 2.136 342 E HA -0.211 4.140 4.350 0.001 0.000 0.202 342 E C 1.996 178.608 176.600 0.020 0.000 1.019 342 E CA 1.377 57.784 56.400 0.011 0.000 0.819 342 E CB -0.404 29.305 29.700 0.015 0.000 0.739 342 E HN 0.242 nan 8.360 nan 0.000 0.458 343 L N 0.812 122.046 121.223 0.018 0.000 1.915 343 L HA -0.204 4.137 4.340 0.001 0.000 0.225 343 L C 0.740 177.623 176.870 0.023 0.000 1.084 343 L CA 1.698 56.550 54.840 0.021 0.000 0.788 343 L CB -0.660 41.408 42.059 0.015 0.000 0.892 343 L HN 0.045 nan 8.230 nan 0.000 0.434 344 N N -0.380 118.330 118.700 0.017 0.000 2.416 344 N HA 0.005 4.745 4.740 0.001 0.000 0.291 344 N C -0.624 174.896 175.510 0.016 0.000 1.257 344 N CA 0.002 53.062 53.050 0.016 0.000 1.043 344 N CB -0.025 38.468 38.487 0.011 0.000 1.441 344 N HN 0.197 nan 8.380 nan 0.000 0.490 345 V N 3.162 123.089 119.914 0.022 0.000 2.540 345 V HA -0.010 4.111 4.120 0.001 0.000 0.297 345 V C 0.238 176.341 176.094 0.015 0.000 1.024 345 V CA -0.050 62.263 62.300 0.022 0.000 1.105 345 V CB 0.298 32.139 31.823 0.031 0.000 0.938 345 V HN 0.548 nan 8.190 nan 0.000 0.482 346 E N 8.622 128.830 120.200 0.012 0.000 2.331 346 E HA 0.322 4.673 4.350 0.001 0.000 0.272 346 E C -2.202 174.402 176.600 0.007 0.000 1.036 346 E CA -1.561 54.843 56.400 0.007 0.000 0.864 346 E CB 1.019 30.722 29.700 0.005 0.000 1.035 346 E HN 0.660 nan 8.360 nan 0.000 0.408 347 P HA 0.026 nan 4.420 nan 0.000 0.267 347 P C 0.256 177.557 177.300 0.001 0.000 1.200 347 P CA 0.104 63.202 63.100 -0.003 0.000 0.772 347 P CB 0.574 32.268 31.700 -0.010 0.000 0.855 348 I N 1.019 121.588 120.570 -0.001 0.000 2.932 348 I HA -0.058 4.113 4.170 0.001 0.000 0.295 348 I C 1.274 177.393 176.117 0.003 0.000 1.227 348 I CA 0.794 62.097 61.300 0.006 0.000 1.429 348 I CB -0.232 37.768 38.000 0.000 0.000 1.339 348 I HN 0.333 nan 8.210 nan 0.000 0.589 349 K N 4.266 124.672 120.400 0.009 0.000 2.267 349 K HA 0.487 4.808 4.320 0.001 0.000 0.246 349 K C -0.668 175.938 176.600 0.010 0.000 0.954 349 K CA -0.850 55.441 56.287 0.007 0.000 0.824 349 K CB 1.362 33.867 32.500 0.009 0.000 1.167 349 K HN 0.320 nan 8.250 nan 0.000 0.431 350 R N 2.310 122.814 120.500 0.007 0.000 2.522 350 R HA -0.001 4.340 4.340 0.001 0.000 0.284 350 R C -0.140 176.169 176.300 0.014 0.000 1.032 350 R CA 0.813 56.919 56.100 0.009 0.000 1.049 350 R CB 0.127 30.431 30.300 0.007 0.000 0.956 350 R HN 0.687 nan 8.270 nan 0.000 0.422 351 K N -0.252 120.159 120.400 0.018 0.000 3.533 351 K HA -0.226 4.095 4.320 0.001 0.000 0.289 351 K C -0.245 176.374 176.600 0.031 0.000 1.317 351 K CA 1.330 57.631 56.287 0.023 0.000 0.967 351 K CB -0.716 31.796 32.500 0.019 0.000 1.323 351 K HN 0.741 nan 8.250 nan 0.000 0.477 352 E N 0.885 121.105 120.200 0.034 0.000 2.390 352 E HA 0.234 4.585 4.350 0.001 0.000 0.261 352 E C -0.749 175.892 176.600 0.068 0.000 1.076 352 E CA -0.324 56.105 56.400 0.048 0.000 0.905 352 E CB 0.837 30.564 29.700 0.045 0.000 0.984 352 E HN 0.071 nan 8.360 nan 0.000 0.427 353 V N 6.081 126.056 119.914 0.102 0.000 2.318 353 V HA 0.236 4.357 4.120 0.001 0.000 0.271 353 V C 0.103 176.325 176.094 0.213 0.000 1.030 353 V CA -0.429 61.953 62.300 0.136 0.000 0.844 353 V CB 0.322 32.241 31.823 0.159 0.000 1.015 353 V HN 0.569 nan 8.190 nan 0.000 0.460 354 L N 4.561 125.861 121.223 0.127 0.000 2.387 354 L HA 0.594 4.935 4.340 0.001 0.000 0.266 354 L C -0.417 176.404 176.870 -0.081 0.000 1.059 354 L CA -0.889 54.016 54.840 0.108 0.000 0.801 354 L CB 1.352 43.443 42.059 0.053 0.000 1.223 354 L HN 0.402 nan 8.230 nan 0.000 0.456 355 L N 2.246 123.331 121.223 -0.229 0.000 2.298 355 L HA 0.497 4.838 4.340 0.001 0.000 0.284 355 L C -0.810 175.910 176.870 -0.251 0.000 1.013 355 L CA 0.044 54.592 54.840 -0.486 0.000 0.824 355 L CB 0.867 42.324 42.059 -1.003 0.000 1.221 355 L HN 0.347 nan 8.230 nan 0.000 0.418 356 L N 5.213 126.314 121.223 -0.203 0.000 2.325 356 L HA 0.578 4.919 4.340 0.001 0.000 0.278 356 L C -0.323 176.468 176.870 -0.132 0.000 1.023 356 L CA -0.598 54.162 54.840 -0.134 0.000 0.811 356 L CB 1.537 43.532 42.059 -0.107 0.000 1.249 356 L HN 0.610 nan 8.230 nan 0.000 0.431 357 N N 2.256 120.897 118.700 -0.099 0.000 2.410 357 N HA 0.521 5.262 4.740 0.001 0.000 0.287 357 N C -1.633 173.834 175.510 -0.071 0.000 1.044 357 N CA -0.186 52.812 53.050 -0.087 0.000 0.881 357 N CB 3.251 41.692 38.487 -0.076 0.000 1.405 357 N HN 0.242 nan 8.380 nan 0.000 0.490 358 V N 1.280 121.149 119.914 -0.075 0.000 2.777 358 V HA 0.670 4.791 4.120 0.001 0.000 0.306 358 V C 0.637 176.696 176.094 -0.058 0.000 1.112 358 V CA 0.554 62.812 62.300 -0.071 0.000 0.917 358 V CB 1.014 32.777 31.823 -0.100 0.000 1.018 358 V HN 0.936 nan 8.190 nan 0.000 0.426 359 G N 5.334 114.108 108.800 -0.043 0.000 2.596 359 G HA2 -0.332 3.629 3.960 0.001 0.000 0.295 359 G HA3 -0.332 3.629 3.960 0.001 0.000 0.295 359 G C 0.884 175.767 174.900 -0.030 0.000 1.240 359 G CA 1.148 46.230 45.100 -0.030 0.000 0.985 359 G HN 2.132 nan 8.290 nan 0.000 0.555 360 T N -1.179 113.356 114.554 -0.032 0.000 3.086 360 T HA 0.662 5.013 4.350 0.001 0.000 0.250 360 T C 0.959 175.625 174.700 -0.056 0.000 1.074 360 T CA 1.330 63.409 62.100 -0.034 0.000 0.988 360 T CB 0.239 69.089 68.868 -0.031 0.000 0.988 360 T HN 1.935 nan 8.240 nan 0.000 0.530 361 A N 1.916 124.697 122.820 -0.065 0.000 2.354 361 A HA 0.674 4.995 4.320 0.001 0.000 0.269 361 A C 0.313 177.842 177.584 -0.091 0.000 1.109 361 A CA -0.853 51.134 52.037 -0.083 0.000 0.800 361 A CB 0.374 19.323 19.000 -0.084 0.000 1.045 361 A HN 0.573 nan 8.150 nan 0.000 0.489 362 R N 1.301 121.739 120.500 -0.104 0.000 2.532 362 R HA 0.628 4.969 4.340 0.001 0.000 0.297 362 R C -1.273 174.950 176.300 -0.128 0.000 0.984 362 R CA 0.005 56.031 56.100 -0.123 0.000 0.884 362 R CB 1.750 31.973 30.300 -0.128 0.000 1.182 362 R HN 0.789 nan 8.270 nan 0.000 0.442 363 T N 3.780 118.250 114.554 -0.140 0.000 2.889 363 T HA 0.375 4.726 4.350 0.001 0.000 0.315 363 T C -0.808 173.807 174.700 -0.141 0.000 1.291 363 T CA -0.775 61.252 62.100 -0.122 0.000 1.028 363 T CB 1.249 70.066 68.868 -0.085 0.000 1.235 363 T HN 0.482 nan 8.240 nan 0.000 0.491 364 M N 2.622 122.153 119.600 -0.114 0.000 2.274 364 M HA 0.525 5.006 4.480 0.001 0.000 0.344 364 M C 0.726 176.999 176.300 -0.046 0.000 1.161 364 M CA -0.379 54.860 55.300 -0.103 0.000 1.126 364 M CB 0.851 33.418 32.600 -0.054 0.000 1.522 364 M HN 0.845 nan 8.290 nan 0.000 0.461 365 G N 2.113 110.894 108.800 -0.031 0.000 2.571 365 G HA2 0.632 4.593 3.960 0.001 0.000 0.304 365 G HA3 0.632 4.593 3.960 0.001 0.000 0.304 365 G C -2.109 172.800 174.900 0.016 0.000 1.314 365 G CA -0.534 44.562 45.100 -0.007 0.000 0.975 365 G HN 0.570 nan 8.290 nan 0.000 0.485 366 L N 2.489 123.726 121.223 0.023 0.000 2.280 366 L HA 0.544 4.884 4.340 0.001 0.000 0.287 366 L C 0.042 176.926 176.870 0.024 0.000 1.023 366 L CA -0.693 54.165 54.840 0.030 0.000 0.819 366 L CB 1.647 43.726 42.059 0.033 0.000 1.212 366 L HN 0.287 nan 8.230 nan 0.000 0.420 367 V N 4.648 124.576 119.914 0.023 0.000 2.425 367 V HA 0.119 4.240 4.120 0.001 0.000 0.276 367 V C 1.325 177.428 176.094 0.016 0.000 1.017 367 V CA 0.768 63.077 62.300 0.016 0.000 1.062 367 V CB 0.073 31.905 31.823 0.014 0.000 0.997 367 V HN 0.962 nan 8.190 nan 0.000 0.476 368 T N 0.957 115.520 114.554 0.015 0.000 3.085 368 T HA 0.675 5.026 4.350 0.001 0.000 0.264 368 T C 0.185 174.892 174.700 0.012 0.000 1.019 368 T CA 0.384 62.494 62.100 0.016 0.000 0.910 368 T CB 0.399 69.279 68.868 0.021 0.000 1.059 368 T HN 1.033 nan 8.240 nan 0.000 0.542 369 A N 0.492 123.316 122.820 0.008 0.000 2.608 369 A HA 0.754 5.074 4.320 0.001 0.000 0.292 369 A C -2.278 175.304 177.584 -0.003 0.000 1.066 369 A CA -0.799 51.241 52.037 0.004 0.000 0.676 369 A CB 1.214 20.218 19.000 0.006 0.000 1.277 369 A HN 0.247 nan 8.150 nan 0.000 0.413 370 L N 0.305 121.525 121.223 -0.006 0.000 2.422 370 L HA 0.861 5.202 4.340 0.001 0.000 0.264 370 L C 0.572 177.432 176.870 -0.015 0.000 0.984 370 L CA 0.657 55.489 54.840 -0.013 0.000 0.819 370 L CB 2.228 44.281 42.059 -0.011 0.000 1.330 370 L HN 1.358 nan 8.230 nan 0.000 0.410 371 G N 0.869 109.654 108.800 -0.024 0.000 2.911 371 G HA2 0.359 4.320 3.960 0.001 0.000 0.299 371 G HA3 0.359 4.320 3.960 0.001 0.000 0.299 371 G C -1.427 173.452 174.900 -0.035 0.000 1.283 371 G CA -0.656 44.429 45.100 -0.025 0.000 0.805 371 G HN 0.356 nan 8.290 nan 0.000 0.548 372 K N 1.086 121.463 120.400 -0.037 0.000 2.250 372 K HA 0.331 4.652 4.320 0.001 0.000 0.280 372 K C -0.760 175.797 176.600 -0.072 0.000 1.098 372 K CA -0.009 56.251 56.287 -0.045 0.000 0.916 372 K CB 0.019 32.498 32.500 -0.034 0.000 1.209 372 K HN 0.397 nan 8.250 nan 0.000 0.461 373 D N 2.193 122.537 120.400 -0.092 0.000 2.716 373 D HA -0.202 4.438 4.640 0.001 0.000 0.239 373 D C -0.623 175.578 176.300 -0.164 0.000 1.125 373 D CA 1.235 55.143 54.000 -0.153 0.000 0.681 373 D CB -0.765 39.924 40.800 -0.185 0.000 1.070 373 D HN 0.788 nan 8.370 nan 0.000 0.432 374 E N 0.004 120.136 120.200 -0.114 0.000 2.380 374 E HA 0.545 4.896 4.350 0.001 0.000 0.281 374 E C -1.128 175.433 176.600 -0.065 0.000 0.999 374 E CA -0.899 55.444 56.400 -0.094 0.000 0.800 374 E CB 1.896 31.556 29.700 -0.068 0.000 1.228 374 E HN 0.255 nan 8.360 nan 0.000 0.436 375 I N -1.143 119.393 120.570 -0.056 0.000 3.279 375 I HA 0.676 4.847 4.170 0.001 0.000 0.315 375 I C -1.206 174.896 176.117 -0.024 0.000 1.225 375 I CA -0.984 60.294 61.300 -0.037 0.000 0.947 375 I CB 2.401 40.379 38.000 -0.037 0.000 1.293 375 I HN 0.501 nan 8.210 nan 0.000 0.468 376 E N 1.434 121.628 120.200 -0.011 0.000 2.277 376 E HA 0.843 5.194 4.350 0.001 0.000 0.266 376 E C -1.782 174.820 176.600 0.004 0.000 0.901 376 E CA -0.665 55.737 56.400 0.002 0.000 0.782 376 E CB 2.695 32.404 29.700 0.014 0.000 1.228 376 E HN 0.550 nan 8.360 nan 0.000 0.424 377 L N 2.017 123.246 121.223 0.011 0.000 2.505 377 L HA 0.431 4.772 4.340 0.001 0.000 0.259 377 L C -0.938 175.950 176.870 0.029 0.000 0.952 377 L CA -0.678 54.170 54.840 0.012 0.000 0.840 377 L CB 2.013 44.069 42.059 -0.006 0.000 1.358 377 L HN 0.305 nan 8.230 nan 0.000 0.409 378 K N 2.805 123.225 120.400 0.033 0.000 2.156 378 K HA 0.670 4.991 4.320 0.001 0.000 0.271 378 K C -1.154 175.470 176.600 0.040 0.000 0.995 378 K CA -0.540 55.775 56.287 0.046 0.000 0.890 378 K CB 0.963 33.489 32.500 0.044 0.000 1.073 378 K HN 0.513 nan 8.250 nan 0.000 0.454 379 L N 4.283 125.538 121.223 0.053 0.000 2.326 379 L HA 0.163 4.504 4.340 0.001 0.000 0.278 379 L C 1.544 178.444 176.870 0.050 0.000 1.092 379 L CA -0.269 54.595 54.840 0.041 0.000 0.810 379 L CB 1.434 43.523 42.059 0.050 0.000 1.153 379 L HN 0.833 nan 8.230 nan 0.000 0.439 380 Q N 3.191 123.010 119.800 0.032 0.000 2.172 380 Q HA 0.036 4.376 4.340 0.001 0.000 0.200 380 Q C -0.081 175.964 176.000 0.075 0.000 0.964 380 Q CA 1.003 56.833 55.803 0.045 0.000 0.855 380 Q CB 0.339 29.088 28.738 0.019 0.000 0.918 380 Q HN 0.642 nan 8.270 nan 0.000 0.444 381 I N 0.541 121.138 120.570 0.045 0.000 2.571 381 I HA 0.409 4.580 4.170 0.001 0.000 0.289 381 I C -2.520 173.587 176.117 -0.015 0.000 1.115 381 I CA -2.813 58.504 61.300 0.028 0.000 1.045 381 I CB 2.002 39.958 38.000 -0.073 0.000 1.238 381 I HN -0.171 nan 8.210 nan 0.000 0.424 382 P HA 0.044 nan 4.420 nan 0.000 0.265 382 P C -0.778 176.496 177.300 -0.044 0.000 1.187 382 P CA -0.110 63.004 63.100 0.024 0.000 0.766 382 P CB 0.618 32.359 31.700 0.068 0.000 0.820 383 V N 1.273 121.214 119.914 0.044 0.000 2.531 383 V HA 0.395 4.516 4.120 0.001 0.000 0.301 383 V C -0.516 175.652 176.094 0.124 0.000 1.034 383 V CA -1.049 61.261 62.300 0.015 0.000 0.865 383 V CB 1.308 33.108 31.823 -0.038 0.000 0.995 383 V HN 0.716 nan 8.190 nan 0.000 0.424 384 C N 6.196 125.543 119.300 0.078 0.000 2.520 384 C HA 0.847 5.308 4.460 0.001 0.000 0.369 384 C C 0.625 175.697 174.990 0.136 0.000 1.244 384 C CA 0.642 59.742 59.018 0.136 0.000 1.677 384 C CB -1.445 26.330 27.740 0.058 0.000 2.324 384 C HN 1.683 nan 8.230 nan 0.000 0.557 385 A N 4.995 127.978 122.820 0.271 0.000 2.515 385 A HA 0.690 5.011 4.320 0.001 0.000 0.298 385 A C -1.087 176.682 177.584 0.308 0.000 1.059 385 A CA -0.485 51.640 52.037 0.147 0.000 0.698 385 A CB 1.066 19.991 19.000 -0.125 0.000 1.289 385 A HN 0.770 nan 8.150 nan 0.000 0.404 386 E N 2.448 122.743 120.200 0.158 0.000 2.229 386 E HA 0.449 4.800 4.350 0.001 0.000 0.283 386 E C -2.322 174.368 176.600 0.150 0.000 1.030 386 E CA -1.818 54.686 56.400 0.172 0.000 0.836 386 E CB 0.943 30.699 29.700 0.093 0.000 1.068 386 E HN 0.423 nan 8.360 nan 0.000 0.401 387 P HA 0.057 nan 4.420 nan 0.000 0.268 387 P C 0.473 177.821 177.300 0.081 0.000 1.204 387 P CA 0.708 63.915 63.100 0.179 0.000 0.768 387 P CB 1.002 32.883 31.700 0.301 0.000 0.842 388 G N 2.069 110.886 108.800 0.029 0.000 2.238 388 G HA2 -0.181 3.780 3.960 0.001 0.000 0.217 388 G HA3 -0.181 3.780 3.960 0.001 0.000 0.217 388 G C 0.055 174.963 174.900 0.013 0.000 0.996 388 G CA -0.370 44.748 45.100 0.029 0.000 0.632 388 G HN 0.557 nan 8.290 nan 0.000 0.503 389 E N 0.822 121.016 120.200 -0.009 0.000 2.392 389 E HA 0.371 4.722 4.350 0.001 0.000 0.264 389 E C 0.624 177.210 176.600 -0.024 0.000 1.024 389 E CA -0.383 56.005 56.400 -0.020 0.000 0.903 389 E CB 0.655 30.335 29.700 -0.034 0.000 0.963 389 E HN 0.325 nan 8.360 nan 0.000 0.432 390 R N 1.923 122.420 120.500 -0.004 0.000 2.340 390 R HA 0.228 4.569 4.340 0.001 0.000 0.300 390 R C -1.138 175.168 176.300 0.010 0.000 1.069 390 R CA -0.311 55.811 56.100 0.037 0.000 0.984 390 R CB 0.650 30.953 30.300 0.005 0.000 1.003 390 R HN 0.226 nan 8.270 nan 0.000 0.459 391 V N 3.700 123.639 119.914 0.041 0.000 2.448 391 V HA 0.429 4.550 4.120 0.001 0.000 0.295 391 V C -0.122 176.004 176.094 0.053 0.000 1.025 391 V CA -0.976 61.322 62.300 -0.003 0.000 0.859 391 V CB 1.621 33.405 31.823 -0.066 0.000 0.988 391 V HN 0.948 nan 8.190 nan 0.000 0.431 392 A N 6.418 129.249 122.820 0.018 0.000 2.409 392 A HA 0.711 5.032 4.320 0.001 0.000 0.267 392 A C -0.367 177.225 177.584 0.014 0.000 1.127 392 A CA -0.067 51.992 52.037 0.036 0.000 0.795 392 A CB -0.093 18.904 19.000 -0.005 0.000 1.061 392 A HN 0.771 nan 8.150 nan 0.000 0.502 393 I N 2.310 122.908 120.570 0.046 0.000 2.378 393 I HA 0.318 4.489 4.170 0.001 0.000 0.291 393 I C -0.158 175.984 176.117 0.043 0.000 0.992 393 I CA -0.004 61.310 61.300 0.022 0.000 1.154 393 I CB 1.975 39.988 38.000 0.022 0.000 1.315 393 I HN 0.537 nan 8.210 nan 0.000 0.448 394 S N 6.104 121.824 115.700 0.033 0.000 2.594 394 S HA 0.511 4.982 4.470 0.001 0.000 0.296 394 S C -0.490 174.255 174.600 0.242 0.000 1.124 394 S CA -0.760 57.505 58.200 0.108 0.000 1.011 394 S CB 2.097 65.340 63.200 0.071 0.000 1.016 394 S HN 0.570 nan 8.310 nan 0.000 0.485 395 R N 1.500 122.166 120.500 0.277 0.000 2.573 395 R HA 0.337 4.678 4.340 0.001 0.000 0.272 395 R C 1.202 177.703 176.300 0.334 0.000 1.009 395 R CA -0.481 55.813 56.100 0.324 0.000 1.059 395 R CB 0.798 31.188 30.300 0.151 0.000 1.112 395 R HN 0.799 nan 8.270 nan 0.000 0.517 396 Q N 2.505 122.323 119.800 0.030 0.000 1.890 396 Q HA -0.009 4.332 4.340 0.001 0.000 0.208 396 Q C -0.218 175.623 176.000 -0.266 0.000 0.982 396 Q CA 1.889 57.379 55.803 -0.521 0.000 0.856 396 Q CB -0.039 28.177 28.738 -0.870 0.000 0.915 396 Q HN 0.673 nan 8.270 nan 0.000 0.427 397 I N 0.229 120.685 120.570 -0.191 0.000 7.021 397 I HA -0.310 3.861 4.170 0.001 0.000 0.126 397 I C 0.437 176.467 176.117 -0.145 0.000 1.833 397 I CA 0.207 61.437 61.300 -0.117 0.000 2.038 397 I CB -1.637 36.330 38.000 -0.054 0.000 3.582 397 I HN 0.861 nan 8.210 nan 0.000 0.169 398 G N 3.815 112.527 108.800 -0.147 0.000 2.527 398 G HA2 -0.321 3.640 3.960 0.001 0.000 0.262 398 G HA3 -0.321 3.640 3.960 0.001 0.000 0.262 398 G C 0.508 175.295 174.900 -0.188 0.000 1.153 398 G CA 0.451 45.471 45.100 -0.134 0.000 0.954 398 G HN 0.656 nan 8.290 nan 0.000 0.552 399 S N 0.950 116.552 115.700 -0.163 0.000 2.483 399 S HA 0.267 4.738 4.470 0.001 0.000 0.221 399 S C 1.329 175.783 174.600 -0.243 0.000 1.030 399 S CA 0.475 58.568 58.200 -0.177 0.000 0.925 399 S CB 0.097 63.239 63.200 -0.097 0.000 0.795 399 S HN 0.591 nan 8.310 nan 0.000 0.511 400 R N 0.063 120.440 120.500 -0.206 0.000 2.531 400 R HA 0.355 4.696 4.340 0.001 0.000 0.260 400 R C -1.175 174.945 176.300 -0.299 0.000 1.144 400 R CA -0.562 55.440 56.100 -0.164 0.000 1.171 400 R CB 0.083 30.363 30.300 -0.034 0.000 1.199 400 R HN 0.248 nan 8.270 nan 0.000 0.594 401 W N 0.618 121.922 121.300 0.006 0.000 2.471 401 W HA 0.435 5.096 4.660 0.001 0.000 0.318 401 W C 0.489 177.013 176.519 0.008 0.000 1.034 401 W CA -0.581 56.767 57.345 0.006 0.000 1.224 401 W CB 1.157 30.618 29.460 0.003 0.000 1.335 401 W HN 0.139 nan 8.180 nan 0.000 0.452 402 R N 3.773 124.417 120.500 0.239 0.000 2.445 402 R HA 0.499 4.840 4.340 0.001 0.000 0.308 402 R C -0.985 175.404 176.300 0.149 0.000 0.961 402 R CA -1.063 55.128 56.100 0.152 0.000 0.862 402 R CB 1.294 31.648 30.300 0.091 0.000 1.144 402 R HN 0.606 nan 8.270 nan 0.000 0.447 403 L N 6.931 128.219 121.223 0.108 0.000 2.418 403 L HA 0.159 4.500 4.340 0.001 0.000 0.274 403 L C 0.658 177.581 176.870 0.088 0.000 1.135 403 L CA 0.574 55.466 54.840 0.087 0.000 0.870 403 L CB 0.667 42.757 42.059 0.051 0.000 1.154 403 L HN 0.803 nan 8.230 nan 0.000 0.462 404 I N 1.835 122.460 120.570 0.091 0.000 4.070 404 I HA 0.647 4.818 4.170 0.001 0.000 0.328 404 I C 0.809 176.979 176.117 0.088 0.000 1.298 404 I CA 0.303 61.651 61.300 0.081 0.000 1.173 404 I CB -0.030 38.012 38.000 0.070 0.000 1.051 404 I HN 0.659 nan 8.210 nan 0.000 0.409 405 G N 1.090 109.955 108.800 0.109 0.000 2.335 405 G HA2 0.375 4.336 3.960 0.001 0.000 0.291 405 G HA3 0.375 4.336 3.960 0.001 0.000 0.291 405 G C -2.048 172.984 174.900 0.219 0.000 1.261 405 G CA -0.153 45.040 45.100 0.156 0.000 0.871 405 G HN 0.329 nan 8.290 nan 0.000 0.491 406 Y N -1.550 118.774 120.300 0.041 0.000 2.625 406 Y HA 0.856 5.406 4.550 0.001 0.000 0.338 406 Y C 0.055 175.977 175.900 0.037 0.000 1.123 406 Y CA -1.036 57.078 58.100 0.023 0.000 1.046 406 Y CB 1.318 39.787 38.460 0.016 0.000 1.299 406 Y HN 1.235 nan 8.280 nan 0.000 0.464 407 G N 1.298 110.114 108.800 0.027 0.000 2.537 407 G HA2 0.678 4.639 3.960 0.001 0.000 0.308 407 G HA3 0.678 4.639 3.960 0.001 0.000 0.308 407 G C -1.784 173.138 174.900 0.037 0.000 1.237 407 G CA -1.227 43.830 45.100 -0.071 0.000 0.968 407 G HN 0.740 nan 8.290 nan 0.000 0.481 408 I N 1.294 121.863 120.570 -0.001 0.000 2.362 408 I HA 0.263 4.434 4.170 0.001 0.000 0.289 408 I C 0.091 176.183 176.117 -0.042 0.000 0.994 408 I CA -0.620 60.699 61.300 0.032 0.000 1.158 408 I CB 1.914 39.962 38.000 0.080 0.000 1.315 408 I HN 0.241 nan 8.210 nan 0.000 0.451 409 I N 7.283 127.797 120.570 -0.093 0.000 2.752 409 I HA -0.057 4.114 4.170 0.001 0.000 0.286 409 I C 0.485 176.546 176.117 -0.093 0.000 1.180 409 I CA 0.697 61.878 61.300 -0.198 0.000 1.404 409 I CB -0.201 37.598 38.000 -0.335 0.000 1.389 409 I HN 0.483 nan 8.210 nan 0.000 0.549 410 K N 5.535 125.898 120.400 -0.063 0.000 2.313 410 K HA 0.505 4.826 4.320 0.001 0.000 0.235 410 K C -0.607 176.086 176.600 0.156 0.000 1.035 410 K CA -0.976 55.337 56.287 0.043 0.000 0.868 410 K CB 1.389 33.906 32.500 0.028 0.000 1.232 410 K HN 0.365 nan 8.250 nan 0.000 0.459 411 E N 0.519 120.833 120.200 0.190 0.000 2.283 411 E HA 0.326 4.677 4.350 0.001 0.000 0.271 411 E C -0.488 176.217 176.600 0.174 0.000 1.031 411 E CA -0.353 56.200 56.400 0.255 0.000 0.868 411 E CB 1.008 30.802 29.700 0.157 0.000 1.094 411 E HN 0.299 nan 8.360 nan 0.000 0.401 412 L N 0.000 121.330 121.223 0.178 0.000 2.949 412 L HA 0.000 4.341 4.340 0.001 0.000 0.249 412 L CA 0.000 54.908 54.840 0.114 0.000 0.813 412 L CB 0.000 42.135 42.059 0.127 0.000 0.961 412 L HN 0.000 nan 8.230 nan 0.000 0.502