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 3izk_1_A DATA FIRST_RESID 1 DATA SEQUENCE VLPENMKRYM GRDAQRMNIL AGRIIAETVR STLGPKGMDK MLVDDLGDVV DATA SEQUENCE VTNDGVTILR EMSVEHPAAK MLIEVAKTQE KEVGDGTTTA VVVAGELLRK DATA SEQUENCE AEELLDQNVH PTIVVKGYQA AAQKAQELLK TIACEVGAQD KEILTKIAMT DATA SEQUENCE SITGKGAEKA KEKLAEIIVE AVSAVVDDEG KVDKDLIKIE KKSGASIDDT DATA SEQUENCE ELIKGVLVDK ERVSAQMPKK VTDAKIALLN CAIEETASEM LKDMVAEIKA DATA SEQUENCE SGANVLFCQK GIDDLAQHYL AKEGIVAARR VKKSDMEKLA KATGANVIAA DATA SEQUENCE IAALSAQDLG DAGLVEERKI SGDSMIFVEE CKHPKAVTML IRGTTEHVIE DATA SEQUENCE EVARAVDDAV GVVGCTIEDG RIVSGGGSTE VELSMKLREY AEGISGREQL DATA SEQUENCE AVRAFADALE VIPRTLAENA GLDAIEILVK VRAAHASNGN KCAGLNVFTG DATA SEQUENCE AVEDMCENGV VEPLRVKTQA IQSAAESTEM LLRIDDVIAA E VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.088 176.094 -0.010 0.000 1.182 1 V CA 0.000 62.293 62.300 -0.011 0.000 1.235 1 V CB 0.000 31.816 31.823 -0.012 0.000 1.184 2 L N 1.835 123.051 121.223 -0.012 0.000 2.352 2 L HA 0.607 4.947 4.340 -0.001 0.000 0.269 2 L C -2.290 174.575 176.870 -0.009 0.000 1.034 2 L CA -1.673 53.161 54.840 -0.010 0.000 0.806 2 L CB 0.688 42.739 42.059 -0.012 0.000 1.244 2 L HN 0.139 nan 8.230 nan 0.000 0.447 3 P HA 0.011 nan 4.420 nan 0.000 0.265 3 P C -0.657 176.641 177.300 -0.004 0.000 1.193 3 P CA -0.258 62.840 63.100 -0.003 0.000 0.765 3 P CB 0.393 32.093 31.700 -0.001 0.000 0.823 4 E N 2.898 123.096 120.200 -0.004 0.000 2.480 4 E HA -0.051 4.298 4.350 -0.001 0.000 0.258 4 E C 0.689 177.288 176.600 -0.001 0.000 0.984 4 E CA 0.952 57.349 56.400 -0.005 0.000 0.930 4 E CB -0.322 29.375 29.700 -0.005 0.000 0.936 4 E HN 0.533 nan 8.360 nan 0.000 0.466 5 N N 2.104 120.804 118.700 -0.000 0.000 2.879 5 N HA -0.188 4.552 4.740 -0.001 0.000 0.156 5 N C -0.658 174.860 175.510 0.014 0.000 1.554 5 N CA 0.889 53.943 53.050 0.007 0.000 2.252 5 N CB -1.205 37.288 38.487 0.010 0.000 1.232 5 N HN 0.542 nan 8.380 nan 0.000 0.861 6 M N 1.661 121.267 119.600 0.009 0.000 2.249 6 M HA 0.319 4.798 4.480 -0.001 0.000 0.351 6 M C -0.763 175.539 176.300 0.004 0.000 1.180 6 M CA -0.095 55.215 55.300 0.017 0.000 1.127 6 M CB 0.596 33.202 32.600 0.010 0.000 1.546 6 M HN -0.046 nan 8.290 nan 0.000 0.461 7 K N 4.161 124.575 120.400 0.024 0.000 2.267 7 K HA 0.614 4.933 4.320 -0.001 0.000 0.246 7 K C -1.005 175.571 176.600 -0.040 0.000 0.954 7 K CA -0.758 55.505 56.287 -0.039 0.000 0.824 7 K CB 1.851 34.340 32.500 -0.017 0.000 1.167 7 K HN 0.674 nan 8.250 nan 0.000 0.431 8 R N 1.572 121.948 120.500 -0.206 0.000 2.686 8 R HA 0.446 4.786 4.340 -0.001 0.000 0.286 8 R C -0.906 175.166 176.300 -0.380 0.000 0.969 8 R CA -0.753 55.266 56.100 -0.135 0.000 0.898 8 R CB 1.275 31.535 30.300 -0.067 0.000 1.183 8 R HN 0.558 nan 8.270 nan 0.000 0.456 9 Y N 2.422 122.738 120.300 0.026 0.000 2.536 9 Y HA 0.578 5.128 4.550 -0.000 0.000 0.347 9 Y C 0.582 176.495 175.900 0.022 0.000 1.000 9 Y CA -0.982 57.134 58.100 0.026 0.000 1.051 9 Y CB 1.974 40.458 38.460 0.040 0.000 1.259 9 Y HN 0.362 nan 8.280 nan 0.000 0.468 10 M N 0.817 120.512 119.600 0.159 0.000 2.520 10 M HA 0.784 5.263 4.480 -0.001 0.000 0.280 10 M C 0.026 176.370 176.300 0.073 0.000 1.232 10 M CA -0.240 55.113 55.300 0.089 0.000 0.892 10 M CB 1.276 33.902 32.600 0.044 0.000 1.728 10 M HN 0.892 nan 8.290 nan 0.000 0.475 11 G N 2.728 111.558 108.800 0.050 0.000 2.561 11 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.289 11 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.289 11 G C 0.672 175.590 174.900 0.031 0.000 1.169 11 G CA 0.529 45.648 45.100 0.032 0.000 0.980 11 G HN 0.842 nan 8.290 nan 0.000 0.550 12 R N 1.081 121.594 120.500 0.023 0.000 2.152 12 R HA -0.023 4.317 4.340 -0.001 0.000 0.232 12 R C 2.101 178.420 176.300 0.032 0.000 1.117 12 R CA 1.785 57.895 56.100 0.015 0.000 0.981 12 R CB -0.794 29.510 30.300 0.007 0.000 0.870 12 R HN 0.611 nan 8.270 nan 0.000 0.451 13 D N 0.492 120.935 120.400 0.071 0.000 2.224 13 D HA -0.032 4.608 4.640 -0.001 0.000 0.205 13 D C 1.692 178.057 176.300 0.109 0.000 0.965 13 D CA 1.156 55.231 54.000 0.125 0.000 0.852 13 D CB -0.035 40.910 40.800 0.240 0.000 0.947 13 D HN 0.169 nan 8.370 nan 0.000 0.494 14 A N 0.656 123.541 122.820 0.108 0.000 1.929 14 A HA -0.160 4.159 4.320 -0.001 0.000 0.216 14 A C 2.092 179.694 177.584 0.030 0.000 1.176 14 A CA 0.991 53.085 52.037 0.094 0.000 0.628 14 A CB -0.205 18.850 19.000 0.092 0.000 0.816 14 A HN 0.036 nan 8.150 nan 0.000 0.444 15 Q N -0.445 119.362 119.800 0.012 0.000 2.016 15 Q HA -0.173 4.167 4.340 -0.001 0.000 0.200 15 Q C 2.252 178.227 176.000 -0.041 0.000 0.978 15 Q CA 1.892 57.688 55.803 -0.012 0.000 0.833 15 Q CB -0.469 28.260 28.738 -0.015 0.000 0.895 15 Q HN 0.631 nan 8.270 nan 0.000 0.427 16 R N 0.915 121.385 120.500 -0.051 0.000 2.075 16 R HA -0.031 4.308 4.340 -0.001 0.000 0.232 16 R C 2.183 178.386 176.300 -0.161 0.000 1.126 16 R CA 1.521 57.570 56.100 -0.085 0.000 0.963 16 R CB -0.617 29.644 30.300 -0.065 0.000 0.858 16 R HN 0.306 nan 8.270 nan 0.000 0.435 17 M N 0.295 119.759 119.600 -0.227 0.000 2.082 17 M HA -0.231 4.249 4.480 -0.001 0.000 0.258 17 M C 1.019 177.150 176.300 -0.280 0.000 1.069 17 M CA 2.103 57.188 55.300 -0.359 0.000 1.102 17 M CB -0.264 32.099 32.600 -0.396 0.000 1.336 17 M HN 0.178 nan 8.290 nan 0.000 0.404 18 N N 0.757 119.358 118.700 -0.165 0.000 2.188 18 N HA -0.101 4.638 4.740 -0.001 0.000 0.184 18 N C 1.656 177.073 175.510 -0.155 0.000 1.018 18 N CA 1.365 54.320 53.050 -0.158 0.000 0.858 18 N CB -0.429 38.039 38.487 -0.032 0.000 0.989 18 N HN 0.395 nan 8.380 nan 0.000 0.426 19 I N 0.550 121.051 120.570 -0.115 0.000 2.315 19 I HA -0.142 4.028 4.170 -0.001 0.000 0.248 19 I C 1.850 177.898 176.117 -0.114 0.000 1.117 19 I CA 0.684 61.930 61.300 -0.089 0.000 1.404 19 I CB -0.830 37.133 38.000 -0.061 0.000 1.071 19 I HN 0.053 nan 8.210 nan 0.000 0.419 20 L N 0.998 122.130 121.223 -0.151 0.000 2.093 20 L HA -0.054 4.286 4.340 -0.001 0.000 0.208 20 L C 2.722 179.488 176.870 -0.173 0.000 1.085 20 L CA 1.811 56.560 54.840 -0.153 0.000 0.755 20 L CB -1.339 40.613 42.059 -0.178 0.000 0.904 20 L HN 0.168 nan 8.230 nan 0.000 0.435 21 A N -0.549 122.115 122.820 -0.261 0.000 1.902 21 A HA -0.112 4.208 4.320 -0.001 0.000 0.217 21 A C 2.405 179.887 177.584 -0.170 0.000 1.181 21 A CA 1.699 53.560 52.037 -0.294 0.000 0.623 21 A CB -1.279 17.354 19.000 -0.611 0.000 0.818 21 A HN 0.432 nan 8.150 nan 0.000 0.443 22 G N -0.717 107.998 108.800 -0.141 0.000 2.422 22 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.218 22 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.218 22 G C 1.672 176.530 174.900 -0.069 0.000 1.140 22 G CA 1.139 46.190 45.100 -0.083 0.000 0.775 22 G HN 0.520 nan 8.290 nan 0.000 0.545 23 R N 0.636 121.089 120.500 -0.078 0.000 2.092 23 R HA 0.109 4.448 4.340 -0.001 0.000 0.231 23 R C 2.400 178.665 176.300 -0.058 0.000 1.119 23 R CA 0.985 57.047 56.100 -0.064 0.000 0.970 23 R CB -0.648 29.613 30.300 -0.065 0.000 0.864 23 R HN 0.427 nan 8.270 nan 0.000 0.440 24 I N 0.101 120.631 120.570 -0.066 0.000 2.127 24 I HA -0.293 3.877 4.170 -0.001 0.000 0.241 24 I C 1.775 177.867 176.117 -0.041 0.000 1.075 24 I CA 1.063 62.332 61.300 -0.052 0.000 1.334 24 I CB -0.283 37.684 38.000 -0.056 0.000 1.040 24 I HN 0.140 nan 8.210 nan 0.000 0.405 25 I N 0.900 121.445 120.570 -0.042 0.000 2.233 25 I HA -0.202 3.967 4.170 -0.001 0.000 0.243 25 I C 2.873 178.971 176.117 -0.032 0.000 1.093 25 I CA 1.598 62.879 61.300 -0.031 0.000 1.380 25 I CB -1.614 36.370 38.000 -0.027 0.000 1.067 25 I HN 0.167 nan 8.210 nan 0.000 0.413 26 A N 0.444 123.241 122.820 -0.038 0.000 1.940 26 A HA -0.257 4.062 4.320 -0.001 0.000 0.219 26 A C 2.282 179.843 177.584 -0.038 0.000 1.176 26 A CA 2.097 54.111 52.037 -0.038 0.000 0.631 26 A CB -0.574 18.400 19.000 -0.043 0.000 0.814 26 A HN 0.407 nan 8.150 nan 0.000 0.446 27 E N -0.492 119.685 120.200 -0.038 0.000 2.107 27 E HA -0.081 4.269 4.350 -0.001 0.000 0.191 27 E C 2.014 178.596 176.600 -0.031 0.000 0.982 27 E CA 1.780 58.159 56.400 -0.035 0.000 0.809 27 E CB -0.514 29.165 29.700 -0.035 0.000 0.756 27 E HN 0.505 nan 8.360 nan 0.000 0.459 28 T N 0.113 114.650 114.554 -0.029 0.000 2.746 28 T HA -0.140 4.210 4.350 -0.001 0.000 0.267 28 T C 1.880 176.565 174.700 -0.025 0.000 1.039 28 T CA 1.791 63.876 62.100 -0.025 0.000 1.142 28 T CB -0.321 68.534 68.868 -0.022 0.000 0.866 28 T HN 0.267 nan 8.240 nan 0.000 0.444 29 V N 1.864 121.762 119.914 -0.026 0.000 2.649 29 V HA 0.014 4.134 4.120 -0.001 0.000 0.248 29 V C 2.346 178.423 176.094 -0.030 0.000 1.054 29 V CA 1.308 63.593 62.300 -0.026 0.000 1.073 29 V CB -0.890 30.918 31.823 -0.025 0.000 0.699 29 V HN 0.480 nan 8.190 nan 0.000 0.463 30 R N 2.694 123.174 120.500 -0.033 0.000 2.241 30 R HA -0.061 4.278 4.340 -0.001 0.000 0.224 30 R C 2.015 178.292 176.300 -0.037 0.000 1.101 30 R CA 1.589 57.667 56.100 -0.038 0.000 0.995 30 R CB -0.983 29.292 30.300 -0.041 0.000 0.870 30 R HN 0.689 nan 8.270 nan 0.000 0.463 31 S N 0.031 115.711 115.700 -0.033 0.000 2.522 31 S HA -0.074 4.396 4.470 -0.001 0.000 0.227 31 S C 1.691 176.271 174.600 -0.033 0.000 0.986 31 S CA 0.684 58.865 58.200 -0.033 0.000 0.929 31 S CB 0.078 63.261 63.200 -0.029 0.000 0.769 31 S HN 0.551 nan 8.310 nan 0.000 0.529 32 T N -0.946 113.589 114.554 -0.031 0.000 3.069 32 T HA 0.353 4.703 4.350 -0.001 0.000 0.252 32 T C 0.322 175.003 174.700 -0.033 0.000 1.053 32 T CA -0.522 61.560 62.100 -0.029 0.000 0.964 32 T CB -0.435 68.419 68.868 -0.023 0.000 1.005 32 T HN 0.258 nan 8.240 nan 0.000 0.532 33 L N 2.927 124.128 121.223 -0.038 0.000 2.462 33 L HA 0.519 4.858 4.340 -0.001 0.000 0.272 33 L C 0.702 177.541 176.870 -0.052 0.000 1.166 33 L CA 1.609 56.424 54.840 -0.041 0.000 0.880 33 L CB -0.749 41.283 42.059 -0.044 0.000 1.142 33 L HN 0.697 nan 8.230 nan 0.000 0.473 34 G N 4.397 113.168 108.800 -0.048 0.000 2.663 34 G HA2 -0.132 3.828 3.960 -0.001 0.000 0.686 34 G HA3 -0.132 3.828 3.960 -0.001 0.000 0.686 34 G C -2.065 172.790 174.900 -0.075 0.000 1.288 34 G CA -0.340 44.719 45.100 -0.068 0.000 0.836 34 G HN 0.553 nan 8.290 nan 0.000 0.584 35 P HA 0.003 nan 4.420 nan 0.000 0.222 35 P C 1.122 178.329 177.300 -0.155 0.000 1.147 35 P CA 1.231 64.269 63.100 -0.103 0.000 0.790 35 P CB 0.112 31.725 31.700 -0.145 0.000 0.780 36 K N -0.210 120.062 120.400 -0.214 0.000 2.372 36 K HA 0.272 4.591 4.320 -0.001 0.000 0.200 36 K C 1.173 177.713 176.600 -0.100 0.000 1.022 36 K CA -0.140 56.047 56.287 -0.167 0.000 1.125 36 K CB -0.112 32.261 32.500 -0.212 0.000 0.855 36 K HN 0.067 nan 8.250 nan 0.000 0.524 37 G N 0.225 108.976 108.800 -0.082 0.000 2.616 37 G HA2 0.246 4.205 3.960 -0.001 0.000 0.268 37 G HA3 0.246 4.205 3.960 -0.001 0.000 0.268 37 G C 0.017 174.892 174.900 -0.041 0.000 1.213 37 G CA -0.513 44.553 45.100 -0.057 0.000 0.926 37 G HN -0.069 nan 8.290 nan 0.000 0.523 38 M N -0.047 119.533 119.600 -0.034 0.000 2.531 38 M HA 0.401 4.881 4.480 -0.001 0.000 0.262 38 M C -0.233 176.055 176.300 -0.021 0.000 1.168 38 M CA -0.678 54.607 55.300 -0.026 0.000 0.926 38 M CB 1.118 33.703 32.600 -0.025 0.000 1.445 38 M HN 0.726 nan 8.290 nan 0.000 0.531 39 D N -0.589 119.800 120.400 -0.018 0.000 2.493 39 D HA 0.562 5.202 4.640 -0.001 0.000 0.239 39 D C -1.300 174.990 176.300 -0.017 0.000 1.049 39 D CA -0.762 53.228 54.000 -0.016 0.000 1.008 39 D CB 1.272 42.064 40.800 -0.013 0.000 1.398 39 D HN 0.116 nan 8.370 nan 0.000 0.513 40 K N 0.346 120.736 120.400 -0.016 0.000 2.259 40 K HA 0.397 4.716 4.320 -0.001 0.000 0.252 40 K C -0.950 175.640 176.600 -0.017 0.000 0.936 40 K CA -0.719 55.558 56.287 -0.016 0.000 0.810 40 K CB 1.970 34.462 32.500 -0.014 0.000 1.143 40 K HN 0.677 nan 8.250 nan 0.000 0.427 41 M N 4.058 123.647 119.600 -0.019 0.000 2.047 41 M HA 0.253 4.733 4.480 -0.001 0.000 0.342 41 M C -1.493 174.797 176.300 -0.017 0.000 1.058 41 M CA -0.972 54.315 55.300 -0.022 0.000 0.991 41 M CB 0.367 32.951 32.600 -0.026 0.000 1.474 41 M HN 0.347 nan 8.290 nan 0.000 0.419 42 L N 6.058 127.271 121.223 -0.015 0.000 2.272 42 L HA 0.521 4.861 4.340 -0.001 0.000 0.289 42 L C -0.797 176.067 176.870 -0.011 0.000 1.032 42 L CA -0.253 54.581 54.840 -0.011 0.000 0.810 42 L CB 1.668 43.722 42.059 -0.008 0.000 1.205 42 L HN 0.414 nan 8.230 nan 0.000 0.422 43 V N 2.815 122.724 119.914 -0.009 0.000 2.407 43 V HA 0.370 4.489 4.120 -0.001 0.000 0.291 43 V C -0.350 175.741 176.094 -0.004 0.000 1.018 43 V CA -0.941 61.354 62.300 -0.009 0.000 0.842 43 V CB 1.527 33.343 31.823 -0.010 0.000 0.996 43 V HN 0.806 nan 8.190 nan 0.000 0.426 44 D N 2.247 122.646 120.400 -0.002 0.000 2.478 44 D HA 0.093 4.733 4.640 -0.001 0.000 0.269 44 D C 0.888 177.188 176.300 0.000 0.000 1.232 44 D CA -0.493 53.507 54.000 -0.000 0.000 1.059 44 D CB 0.704 41.505 40.800 0.001 0.000 1.104 44 D HN 0.400 nan 8.370 nan 0.000 0.566 45 D N -1.741 118.660 120.400 0.001 0.000 2.264 45 D HA -0.088 4.551 4.640 -0.001 0.000 0.208 45 D C 1.453 177.754 176.300 0.002 0.000 0.966 45 D CA 0.622 54.623 54.000 0.002 0.000 0.864 45 D CB 0.002 40.803 40.800 0.002 0.000 0.933 45 D HN 0.185 nan 8.370 nan 0.000 0.499 46 L N -1.002 120.222 121.223 0.003 0.000 2.558 46 L HA 0.351 4.690 4.340 -0.001 0.000 0.225 46 L C 1.952 178.824 176.870 0.004 0.000 1.128 46 L CA 0.911 55.753 54.840 0.004 0.000 0.868 46 L CB 0.143 42.205 42.059 0.004 0.000 1.006 46 L HN 0.256 nan 8.230 nan 0.000 0.454 47 G N -1.321 107.481 108.800 0.003 0.000 2.179 47 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.220 47 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.220 47 G C 0.243 175.144 174.900 0.002 0.000 0.990 47 G CA 0.101 45.202 45.100 0.002 0.000 0.646 47 G HN 0.322 nan 8.290 nan 0.000 0.517 48 D N 1.165 121.567 120.400 0.003 0.000 2.382 48 D HA 0.394 5.033 4.640 -0.001 0.000 0.259 48 D C 0.415 176.714 176.300 -0.003 0.000 1.224 48 D CA 0.161 54.164 54.000 0.005 0.000 0.894 48 D CB 1.099 41.903 40.800 0.008 0.000 1.127 48 D HN 0.195 nan 8.370 nan 0.000 0.487 49 V N 4.992 124.901 119.914 -0.009 0.000 2.347 49 V HA 0.280 4.400 4.120 -0.001 0.000 0.280 49 V C 0.128 176.205 176.094 -0.029 0.000 1.021 49 V CA -0.795 61.490 62.300 -0.025 0.000 0.847 49 V CB 1.580 33.377 31.823 -0.043 0.000 0.990 49 V HN 0.334 nan 8.190 nan 0.000 0.444 50 V N 6.044 125.945 119.914 -0.022 0.000 2.378 50 V HA 0.449 4.568 4.120 -0.001 0.000 0.288 50 V C -0.221 175.860 176.094 -0.022 0.000 1.016 50 V CA -0.561 61.729 62.300 -0.017 0.000 0.840 50 V CB 1.942 33.762 31.823 -0.004 0.000 0.994 50 V HN 0.589 nan 8.190 nan 0.000 0.431 51 V N 4.449 124.345 119.914 -0.029 0.000 2.357 51 V HA 0.769 4.888 4.120 -0.001 0.000 0.284 51 V C 0.104 176.190 176.094 -0.014 0.000 1.018 51 V CA 0.020 62.303 62.300 -0.028 0.000 0.841 51 V CB 1.586 33.383 31.823 -0.044 0.000 0.991 51 V HN 0.976 nan 8.190 nan 0.000 0.437 52 T N 2.642 117.190 114.554 -0.011 0.000 2.739 52 T HA 0.305 4.655 4.350 -0.001 0.000 0.303 52 T C 0.128 174.824 174.700 -0.007 0.000 1.389 52 T CA -0.360 61.737 62.100 -0.005 0.000 1.001 52 T CB 2.058 70.925 68.868 -0.001 0.000 1.436 52 T HN 0.602 nan 8.240 nan 0.000 0.500 53 N N 0.325 119.023 118.700 -0.004 0.000 2.210 53 N HA 0.085 4.825 4.740 -0.001 0.000 0.203 53 N C -0.780 174.726 175.510 -0.006 0.000 1.175 53 N CA -0.020 53.026 53.050 -0.006 0.000 0.894 53 N CB 0.445 38.930 38.487 -0.004 0.000 1.041 53 N HN 0.552 nan 8.380 nan 0.000 0.506 54 D N 0.360 120.759 120.400 -0.003 0.000 2.450 54 D HA 0.093 4.733 4.640 -0.001 0.000 0.247 54 D C 1.282 177.580 176.300 -0.004 0.000 1.162 54 D CA 0.175 54.173 54.000 -0.002 0.000 0.879 54 D CB 1.275 42.075 40.800 0.001 0.000 1.163 54 D HN 0.290 nan 8.370 nan 0.000 0.472 55 G N 1.659 110.456 108.800 -0.006 0.000 2.414 55 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.215 55 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.215 55 G C 1.496 176.393 174.900 -0.005 0.000 1.188 55 G CA 0.305 45.400 45.100 -0.008 0.000 0.783 55 G HN 0.452 nan 8.290 nan 0.000 0.537 56 V N 0.824 120.736 119.914 -0.003 0.000 2.515 56 V HA -0.102 4.017 4.120 -0.001 0.000 0.250 56 V C 2.970 179.064 176.094 0.000 0.000 1.058 56 V CA 2.740 65.040 62.300 -0.001 0.000 1.064 56 V CB -0.563 31.261 31.823 0.001 0.000 0.675 56 V HN 0.401 nan 8.190 nan 0.000 0.461 57 T N 0.566 115.120 114.554 0.000 0.000 2.777 57 T HA -0.076 4.273 4.350 -0.001 0.000 0.266 57 T C 1.752 176.452 174.700 -0.000 0.000 1.040 57 T CA 1.970 64.071 62.100 0.001 0.000 1.141 57 T CB -0.257 68.612 68.868 0.001 0.000 0.868 57 T HN 0.461 nan 8.240 nan 0.000 0.444 58 I N 0.627 121.196 120.570 -0.002 0.000 2.208 58 I HA -0.146 4.024 4.170 -0.001 0.000 0.245 58 I C 1.982 178.098 176.117 -0.002 0.000 1.097 58 I CA 0.943 62.241 61.300 -0.003 0.000 1.363 58 I CB -0.265 37.731 38.000 -0.006 0.000 1.051 58 I HN 0.162 nan 8.210 nan 0.000 0.413 59 L N 0.172 121.394 121.223 -0.001 0.000 2.217 59 L HA -0.079 4.261 4.340 -0.001 0.000 0.211 59 L C 2.459 179.331 176.870 0.004 0.000 1.107 59 L CA 1.561 56.401 54.840 0.001 0.000 0.783 59 L CB -0.751 41.309 42.059 0.001 0.000 0.919 59 L HN 0.104 nan 8.230 nan 0.000 0.442 60 R N -1.070 119.432 120.500 0.003 0.000 2.093 60 R HA -0.035 4.305 4.340 -0.001 0.000 0.224 60 R C 1.963 178.265 176.300 0.004 0.000 1.101 60 R CA 0.662 56.765 56.100 0.004 0.000 0.979 60 R CB 0.002 30.304 30.300 0.004 0.000 0.877 60 R HN 0.273 nan 8.270 nan 0.000 0.441 61 E N 0.985 121.186 120.200 0.003 0.000 2.086 61 E HA -0.058 4.291 4.350 -0.001 0.000 0.190 61 E C 1.284 177.885 176.600 0.002 0.000 0.975 61 E CA 0.560 56.961 56.400 0.002 0.000 0.813 61 E CB -0.105 29.596 29.700 0.001 0.000 0.768 61 E HN 0.333 nan 8.360 nan 0.000 0.457 62 M N -0.208 119.393 119.600 0.002 0.000 2.184 62 M HA 0.099 4.578 4.480 -0.001 0.000 0.296 62 M C 0.518 176.821 176.300 0.005 0.000 1.165 62 M CA 0.360 55.662 55.300 0.002 0.000 1.175 62 M CB 0.479 33.079 32.600 0.001 0.000 1.392 62 M HN -0.239 nan 8.290 nan 0.000 0.457 63 S N 1.535 117.239 115.700 0.007 0.000 2.466 63 S HA 0.491 4.960 4.470 -0.001 0.000 0.313 63 S C -0.894 173.715 174.600 0.015 0.000 1.078 63 S CA -0.805 57.401 58.200 0.010 0.000 1.115 63 S CB -0.014 63.191 63.200 0.010 0.000 1.006 63 S HN 0.508 nan 8.310 nan 0.000 0.487 64 V N 5.730 125.655 119.914 0.018 0.000 2.439 64 V HA 0.425 4.545 4.120 -0.001 0.000 0.282 64 V C 0.611 176.726 176.094 0.035 0.000 1.039 64 V CA -0.404 61.913 62.300 0.028 0.000 0.913 64 V CB 1.622 33.461 31.823 0.027 0.000 0.983 64 V HN 0.793 nan 8.190 nan 0.000 0.460 65 E N 1.146 121.377 120.200 0.052 0.000 2.228 65 E HA 0.091 4.441 4.350 -0.001 0.000 0.197 65 E C 0.722 177.357 176.600 0.058 0.000 0.909 65 E CA 0.111 56.539 56.400 0.046 0.000 0.911 65 E CB -0.005 29.722 29.700 0.044 0.000 0.887 65 E HN 0.693 nan 8.360 nan 0.000 0.481 66 H N 2.735 121.809 119.070 0.006 0.000 2.803 66 H HA 0.043 4.598 4.556 -0.001 0.000 0.330 66 H C -1.713 173.618 175.328 0.005 0.000 1.057 66 H CA -1.409 54.643 56.048 0.007 0.000 1.458 66 H CB 1.529 31.291 29.762 -0.001 0.000 1.470 66 H HN -0.206 nan 8.280 nan 0.000 0.560 67 P HA -0.147 nan 4.420 nan 0.000 0.216 67 P C 1.075 178.485 177.300 0.183 0.000 1.150 67 P CA 2.023 65.158 63.100 0.058 0.000 0.843 67 P CB 0.118 31.793 31.700 -0.042 0.000 0.787 68 A N 0.012 123.096 122.820 0.440 0.000 1.877 68 A HA -0.090 4.230 4.320 -0.001 0.000 0.216 68 A C 2.329 179.962 177.584 0.083 0.000 1.186 68 A CA 2.075 54.231 52.037 0.198 0.000 0.620 68 A CB -1.565 17.460 19.000 0.043 0.000 0.822 68 A HN 0.201 nan 8.150 nan 0.000 0.443 69 A N -0.364 122.506 122.820 0.084 0.000 1.969 69 A HA -0.103 4.217 4.320 -0.001 0.000 0.218 69 A C 2.078 179.688 177.584 0.043 0.000 1.169 69 A CA 1.657 53.714 52.037 0.034 0.000 0.635 69 A CB -0.359 18.657 19.000 0.027 0.000 0.810 69 A HN 0.542 nan 8.150 nan 0.000 0.445 70 K N -0.957 119.482 120.400 0.065 0.000 2.097 70 K HA -0.034 4.286 4.320 -0.001 0.000 0.205 70 K C 1.856 178.477 176.600 0.035 0.000 1.050 70 K CA 1.292 57.605 56.287 0.043 0.000 0.938 70 K CB -0.190 32.334 32.500 0.041 0.000 0.718 70 K HN 0.347 nan 8.250 nan 0.000 0.442 71 M N 0.625 120.250 119.600 0.041 0.000 2.254 71 M HA -0.052 4.427 4.480 -0.001 0.000 0.265 71 M C 2.169 178.483 176.300 0.024 0.000 1.066 71 M CA 1.036 56.355 55.300 0.032 0.000 1.123 71 M CB -0.670 31.952 32.600 0.037 0.000 1.388 71 M HN 0.200 nan 8.290 nan 0.000 0.425 72 L N 0.369 121.605 121.223 0.021 0.000 2.046 72 L HA -0.217 4.123 4.340 -0.001 0.000 0.208 72 L C 2.224 179.099 176.870 0.009 0.000 1.077 72 L CA 1.225 56.071 54.840 0.010 0.000 0.747 72 L CB -0.175 41.885 42.059 0.001 0.000 0.896 72 L HN 0.156 nan 8.230 nan 0.000 0.432 73 I N -0.334 120.243 120.570 0.012 0.000 2.208 73 I HA -0.284 3.886 4.170 -0.001 0.000 0.245 73 I C 2.468 178.590 176.117 0.010 0.000 1.097 73 I CA 1.052 62.358 61.300 0.009 0.000 1.363 73 I CB -0.403 37.604 38.000 0.012 0.000 1.051 73 I HN 0.310 nan 8.210 nan 0.000 0.413 74 E N 0.468 120.675 120.200 0.013 0.000 2.118 74 E HA -0.165 4.185 4.350 -0.001 0.000 0.195 74 E C 2.419 179.026 176.600 0.011 0.000 0.992 74 E CA 1.161 57.568 56.400 0.012 0.000 0.804 74 E CB -0.259 29.450 29.700 0.015 0.000 0.741 74 E HN 0.367 nan 8.360 nan 0.000 0.458 75 V N 1.469 121.390 119.914 0.011 0.000 2.358 75 V HA -0.219 3.900 4.120 -0.001 0.000 0.246 75 V C 2.462 178.559 176.094 0.006 0.000 1.047 75 V CA 1.716 64.022 62.300 0.010 0.000 1.035 75 V CB -0.808 31.021 31.823 0.009 0.000 0.658 75 V HN 0.239 nan 8.190 nan 0.000 0.452 76 A N -0.319 122.503 122.820 0.004 0.000 1.933 76 A HA -0.223 4.097 4.320 -0.001 0.000 0.218 76 A C 2.283 179.869 177.584 0.003 0.000 1.175 76 A CA 1.820 53.858 52.037 0.001 0.000 0.628 76 A CB -0.400 18.600 19.000 -0.000 0.000 0.814 76 A HN 0.543 nan 8.150 nan 0.000 0.444 77 K N -0.928 119.475 120.400 0.005 0.000 2.155 77 K HA -0.062 4.258 4.320 -0.001 0.000 0.203 77 K C 1.969 178.573 176.600 0.006 0.000 1.052 77 K CA 1.514 57.804 56.287 0.005 0.000 0.948 77 K CB -0.279 32.225 32.500 0.006 0.000 0.728 77 K HN 0.460 nan 8.250 nan 0.000 0.448 78 T N 1.189 115.747 114.554 0.007 0.000 2.777 78 T HA -0.181 4.168 4.350 -0.001 0.000 0.266 78 T C 1.830 176.534 174.700 0.007 0.000 1.040 78 T CA 1.359 63.463 62.100 0.008 0.000 1.141 78 T CB -0.128 68.746 68.868 0.010 0.000 0.868 78 T HN 0.179 nan 8.240 nan 0.000 0.444 79 Q N 1.394 121.197 119.800 0.005 0.000 2.096 79 Q HA -0.127 4.213 4.340 -0.001 0.000 0.204 79 Q C 2.099 178.101 176.000 0.004 0.000 0.982 79 Q CA 1.918 57.723 55.803 0.004 0.000 0.850 79 Q CB -0.263 28.475 28.738 0.001 0.000 0.901 79 Q HN 0.679 nan 8.270 nan 0.000 0.422 80 E N -0.741 119.461 120.200 0.003 0.000 2.072 80 E HA -0.183 4.166 4.350 -0.001 0.000 0.191 80 E C 1.590 178.192 176.600 0.004 0.000 0.985 80 E CA 0.971 57.373 56.400 0.003 0.000 0.801 80 E CB 0.063 29.765 29.700 0.003 0.000 0.750 80 E HN 0.139 nan 8.360 nan 0.000 0.452 81 K N 0.373 120.776 120.400 0.004 0.000 2.147 81 K HA -0.116 4.204 4.320 -0.001 0.000 0.205 81 K C 1.940 178.543 176.600 0.005 0.000 1.049 81 K CA 1.000 57.290 56.287 0.005 0.000 0.936 81 K CB 0.026 32.529 32.500 0.005 0.000 0.722 81 K HN 0.239 nan 8.250 nan 0.000 0.446 82 E N -0.011 120.192 120.200 0.006 0.000 2.045 82 E HA -0.022 4.328 4.350 -0.001 0.000 0.190 82 E C 2.228 178.832 176.600 0.006 0.000 0.968 82 E CA 0.758 57.162 56.400 0.006 0.000 0.813 82 E CB -0.049 29.656 29.700 0.008 0.000 0.780 82 E HN -0.025 nan 8.360 nan 0.000 0.455 83 V N -0.786 119.131 119.914 0.006 0.000 2.788 83 V HA 0.207 4.326 4.120 -0.001 0.000 0.241 83 V C 1.680 177.777 176.094 0.005 0.000 1.083 83 V CA 1.161 63.464 62.300 0.006 0.000 1.103 83 V CB 0.274 32.101 31.823 0.005 0.000 0.800 83 V HN 0.509 nan 8.190 nan 0.000 0.476 84 G N 0.295 109.098 108.800 0.004 0.000 4.677 84 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.215 84 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.215 84 G C 0.169 175.071 174.900 0.004 0.000 1.506 84 G CA 0.327 45.429 45.100 0.004 0.000 1.016 84 G HN 0.482 nan 8.290 nan 0.000 0.653 85 D N 1.668 122.071 120.400 0.005 0.000 2.377 85 D HA 0.486 5.125 4.640 -0.001 0.000 0.245 85 D C 1.483 177.784 176.300 0.003 0.000 1.196 85 D CA 1.589 55.592 54.000 0.005 0.000 0.962 85 D CB 0.390 41.195 40.800 0.008 0.000 1.127 85 D HN 1.800 nan 8.370 nan 0.000 0.471 86 G N 0.232 109.033 108.800 0.001 0.000 2.147 86 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.244 86 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.244 86 G C 1.020 175.916 174.900 -0.007 0.000 1.005 86 G CA 1.328 46.425 45.100 -0.004 0.000 0.713 86 G HN 0.658 nan 8.290 nan 0.000 0.515 87 T N -3.387 111.164 114.554 -0.006 0.000 2.833 87 T HA -0.084 4.266 4.350 -0.001 0.000 0.269 87 T C 2.202 176.895 174.700 -0.012 0.000 1.054 87 T CA 2.463 64.558 62.100 -0.007 0.000 1.135 87 T CB -0.367 68.498 68.868 -0.005 0.000 0.869 87 T HN 0.308 nan 8.240 nan 0.000 0.466 88 T N 1.882 116.427 114.554 -0.015 0.000 2.732 88 T HA -0.044 4.305 4.350 -0.001 0.000 0.261 88 T C 2.294 176.978 174.700 -0.027 0.000 1.040 88 T CA 1.695 63.782 62.100 -0.021 0.000 1.145 88 T CB -0.923 67.932 68.868 -0.022 0.000 0.866 88 T HN 0.472 nan 8.240 nan 0.000 0.427 89 T N 2.331 116.869 114.554 -0.026 0.000 2.665 89 T HA -0.128 4.221 4.350 -0.001 0.000 0.268 89 T C 2.365 177.041 174.700 -0.038 0.000 1.035 89 T CA 1.357 63.437 62.100 -0.034 0.000 1.151 89 T CB -0.645 68.206 68.868 -0.029 0.000 0.862 89 T HN 0.424 nan 8.240 nan 0.000 0.438 90 A N 0.789 123.591 122.820 -0.030 0.000 1.908 90 A HA -0.081 4.238 4.320 -0.001 0.000 0.218 90 A C 2.596 180.160 177.584 -0.034 0.000 1.181 90 A CA 1.623 53.642 52.037 -0.029 0.000 0.627 90 A CB -0.976 18.014 19.000 -0.017 0.000 0.818 90 A HN 0.384 nan 8.150 nan 0.000 0.445 91 V N -0.604 119.291 119.914 -0.030 0.000 2.453 91 V HA -0.175 3.944 4.120 -0.001 0.000 0.247 91 V C 2.545 178.613 176.094 -0.043 0.000 1.048 91 V CA 1.710 63.991 62.300 -0.031 0.000 1.049 91 V CB -0.590 31.218 31.823 -0.026 0.000 0.672 91 V HN 0.365 nan 8.190 nan 0.000 0.457 92 V N -0.196 119.690 119.914 -0.047 0.000 2.343 92 V HA -0.214 3.906 4.120 -0.001 0.000 0.247 92 V C 2.438 178.488 176.094 -0.074 0.000 1.051 92 V CA 1.877 64.143 62.300 -0.056 0.000 1.036 92 V CB -0.414 31.376 31.823 -0.055 0.000 0.654 92 V HN 0.400 nan 8.190 nan 0.000 0.451 93 V N 0.358 120.222 119.914 -0.083 0.000 2.295 93 V HA -0.257 3.863 4.120 -0.001 0.000 0.246 93 V C 2.704 178.721 176.094 -0.128 0.000 1.049 93 V CA 2.104 64.332 62.300 -0.119 0.000 1.024 93 V CB -1.122 30.628 31.823 -0.121 0.000 0.648 93 V HN 0.562 nan 8.190 nan 0.000 0.447 94 A N 0.325 123.092 122.820 -0.089 0.000 1.972 94 A HA -0.048 4.271 4.320 -0.001 0.000 0.219 94 A C 2.375 179.924 177.584 -0.058 0.000 1.169 94 A CA 1.794 53.790 52.037 -0.068 0.000 0.635 94 A CB -1.064 17.915 19.000 -0.035 0.000 0.810 94 A HN 0.534 nan 8.150 nan 0.000 0.446 95 G N -0.373 108.392 108.800 -0.059 0.000 2.404 95 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.215 95 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.215 95 G C 1.483 176.350 174.900 -0.054 0.000 1.174 95 G CA 1.274 46.344 45.100 -0.051 0.000 0.780 95 G HN 0.544 nan 8.290 nan 0.000 0.537 96 E N -0.001 120.155 120.200 -0.074 0.000 2.152 96 E HA -0.033 4.317 4.350 -0.001 0.000 0.192 96 E C 2.284 178.832 176.600 -0.086 0.000 0.983 96 E CA 0.370 56.722 56.400 -0.078 0.000 0.818 96 E CB -0.407 29.235 29.700 -0.098 0.000 0.758 96 E HN 0.257 nan 8.360 nan 0.000 0.467 97 L N 0.113 121.261 121.223 -0.126 0.000 2.083 97 L HA -0.069 4.271 4.340 -0.001 0.000 0.209 97 L C 2.026 178.893 176.870 -0.004 0.000 1.083 97 L CA 1.587 56.328 54.840 -0.165 0.000 0.752 97 L CB -0.413 41.498 42.059 -0.246 0.000 0.899 97 L HN 0.256 nan 8.230 nan 0.000 0.433 98 L N -1.165 120.066 121.223 0.013 0.000 2.093 98 L HA -0.147 4.192 4.340 -0.001 0.000 0.208 98 L C 2.732 179.627 176.870 0.042 0.000 1.085 98 L CA 0.980 55.852 54.840 0.054 0.000 0.755 98 L CB -0.446 41.623 42.059 0.017 0.000 0.904 98 L HN 0.216 nan 8.230 nan 0.000 0.435 99 R N -0.122 120.383 120.500 0.009 0.000 2.081 99 R HA -0.120 4.220 4.340 -0.001 0.000 0.235 99 R C 2.285 178.602 176.300 0.028 0.000 1.131 99 R CA 0.925 57.027 56.100 0.004 0.000 0.960 99 R CB -0.143 30.146 30.300 -0.017 0.000 0.856 99 R HN 0.218 nan 8.270 nan 0.000 0.436 100 K N 0.375 120.803 120.400 0.046 0.000 2.148 100 K HA -0.027 4.292 4.320 -0.001 0.000 0.204 100 K C 2.025 178.723 176.600 0.163 0.000 1.050 100 K CA 1.197 57.538 56.287 0.090 0.000 0.942 100 K CB -0.160 32.388 32.500 0.080 0.000 0.724 100 K HN 0.142 nan 8.250 nan 0.000 0.446 101 A N 1.605 124.556 122.820 0.219 0.000 1.898 101 A HA -0.167 4.153 4.320 -0.001 0.000 0.216 101 A C 2.137 179.756 177.584 0.059 0.000 1.181 101 A CA 1.368 53.512 52.037 0.178 0.000 0.620 101 A CB -0.288 18.851 19.000 0.231 0.000 0.819 101 A HN 0.247 nan 8.150 nan 0.000 0.442 102 E N 0.267 120.494 120.200 0.046 0.000 2.150 102 E HA -0.182 4.168 4.350 -0.001 0.000 0.193 102 E C 1.775 178.381 176.600 0.010 0.000 0.985 102 E CA 1.279 57.687 56.400 0.012 0.000 0.814 102 E CB -0.150 29.551 29.700 0.001 0.000 0.752 102 E HN 0.762 nan 8.360 nan 0.000 0.466 103 E N 0.206 120.419 120.200 0.023 0.000 2.106 103 E HA -0.117 4.232 4.350 -0.001 0.000 0.192 103 E C 2.344 178.956 176.600 0.019 0.000 0.984 103 E CA 0.679 57.091 56.400 0.019 0.000 0.806 103 E CB -0.005 29.710 29.700 0.026 0.000 0.750 103 E HN 0.252 nan 8.360 nan 0.000 0.458 104 L N 0.308 121.547 121.223 0.027 0.000 2.046 104 L HA -0.198 4.142 4.340 -0.001 0.000 0.208 104 L C 2.224 179.089 176.870 -0.009 0.000 1.077 104 L CA 0.507 55.355 54.840 0.012 0.000 0.747 104 L CB -0.238 41.824 42.059 0.006 0.000 0.896 104 L HN 0.168 nan 8.230 nan 0.000 0.432 105 L N -0.178 121.033 121.223 -0.019 0.000 2.093 105 L HA -0.224 4.115 4.340 -0.001 0.000 0.208 105 L C 2.106 178.962 176.870 -0.023 0.000 1.085 105 L CA 1.720 56.540 54.840 -0.035 0.000 0.755 105 L CB -0.788 41.246 42.059 -0.041 0.000 0.904 105 L HN 0.248 nan 8.230 nan 0.000 0.435 106 D N -1.280 119.113 120.400 -0.011 0.000 2.144 106 D HA -0.171 4.469 4.640 -0.001 0.000 0.200 106 D C 1.792 178.090 176.300 -0.002 0.000 0.978 106 D CA 0.773 54.770 54.000 -0.006 0.000 0.833 106 D CB 0.162 40.961 40.800 -0.002 0.000 0.961 106 D HN 0.224 nan 8.370 nan 0.000 0.470 107 Q N 0.082 119.882 119.800 0.001 0.000 2.466 107 Q HA 0.010 4.349 4.340 -0.001 0.000 0.210 107 Q C 0.209 176.211 176.000 0.004 0.000 0.961 107 Q CA 0.192 55.998 55.803 0.005 0.000 0.953 107 Q CB -0.077 28.667 28.738 0.011 0.000 1.011 107 Q HN 0.319 nan 8.270 nan 0.000 0.516 108 N N -0.622 118.077 118.700 -0.002 0.000 2.776 108 N HA -0.154 4.586 4.740 -0.001 0.000 0.249 108 N C -1.322 174.193 175.510 0.008 0.000 1.111 108 N CA 0.301 53.351 53.050 0.000 0.000 0.711 108 N CB -1.150 37.341 38.487 0.008 0.000 1.065 108 N HN -0.025 nan 8.380 nan 0.000 0.556 109 V N 1.926 121.839 119.914 -0.001 0.000 2.385 109 V HA 0.126 4.246 4.120 -0.001 0.000 0.269 109 V C 0.934 177.029 176.094 0.000 0.000 1.043 109 V CA -0.729 61.577 62.300 0.009 0.000 0.906 109 V CB 1.016 32.836 31.823 -0.005 0.000 0.995 109 V HN 0.326 nan 8.190 nan 0.000 0.467 110 H N 8.338 127.389 119.070 -0.032 0.000 3.034 110 H HA 0.041 4.596 4.556 -0.001 0.000 0.324 110 H C -1.684 173.612 175.328 -0.052 0.000 1.015 110 H CA -1.222 54.806 56.048 -0.034 0.000 1.429 110 H CB 1.644 31.390 29.762 -0.028 0.000 1.429 110 H HN 0.380 nan 8.280 nan 0.000 0.585 111 P HA -0.178 nan 4.420 nan 0.000 0.217 111 P C 1.522 178.853 177.300 0.051 0.000 1.148 111 P CA 1.801 64.838 63.100 -0.106 0.000 0.834 111 P CB 0.069 31.665 31.700 -0.174 0.000 0.783 112 T N -1.746 113.001 114.554 0.321 0.000 2.915 112 T HA -0.078 4.271 4.350 -0.001 0.000 0.269 112 T C 1.572 176.296 174.700 0.040 0.000 1.071 112 T CA 0.755 62.946 62.100 0.152 0.000 1.132 112 T CB -0.515 68.403 68.868 0.084 0.000 0.878 112 T HN -0.149 nan 8.240 nan 0.000 0.479 113 I N 0.719 121.319 120.570 0.049 0.000 2.333 113 I HA -0.014 4.156 4.170 -0.001 0.000 0.246 113 I C 2.538 178.593 176.117 -0.105 0.000 1.106 113 I CA 0.814 62.103 61.300 -0.019 0.000 1.411 113 I CB -1.313 36.690 38.000 0.004 0.000 1.082 113 I HN 0.151 nan 8.210 nan 0.000 0.420 114 V N 0.734 120.547 119.914 -0.167 0.000 2.343 114 V HA -0.222 3.897 4.120 -0.001 0.000 0.247 114 V C 2.699 178.468 176.094 -0.542 0.000 1.051 114 V CA 1.303 63.347 62.300 -0.427 0.000 1.036 114 V CB -0.556 31.031 31.823 -0.395 0.000 0.654 114 V HN 0.167 nan 8.190 nan 0.000 0.451 115 V N 0.059 119.824 119.914 -0.249 0.000 2.261 115 V HA -0.274 3.846 4.120 -0.001 0.000 0.246 115 V C 2.485 178.540 176.094 -0.066 0.000 1.047 115 V CA 2.380 64.611 62.300 -0.116 0.000 1.015 115 V CB -0.673 31.128 31.823 -0.037 0.000 0.642 115 V HN 0.531 nan 8.190 nan 0.000 0.446 116 K N 1.115 121.476 120.400 -0.065 0.000 2.026 116 K HA -0.105 4.214 4.320 -0.001 0.000 0.208 116 K C 2.051 178.628 176.600 -0.039 0.000 1.048 116 K CA 1.945 58.208 56.287 -0.040 0.000 0.929 116 K CB -1.167 31.312 32.500 -0.035 0.000 0.713 116 K HN 0.387 nan 8.250 nan 0.000 0.439 117 G N -0.807 107.963 108.800 -0.051 0.000 2.418 117 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.217 117 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.217 117 G C 1.210 176.145 174.900 0.058 0.000 1.158 117 G CA 0.837 45.940 45.100 0.005 0.000 0.771 117 G HN 0.268 nan 8.290 nan 0.000 0.545 118 Y N 0.404 120.627 120.300 -0.128 0.000 2.200 118 Y HA -0.044 4.505 4.550 -0.001 0.000 0.290 118 Y C 2.891 178.545 175.900 -0.409 0.000 1.137 118 Y CA 1.077 59.016 58.100 -0.267 0.000 1.163 118 Y CB -0.946 37.544 38.460 0.051 0.000 0.988 118 Y HN 0.270 nan 8.280 nan 0.000 0.518 119 Q N 0.320 120.108 119.800 -0.019 0.000 2.123 119 Q HA -0.031 4.309 4.340 -0.001 0.000 0.199 119 Q C 2.290 178.220 176.000 -0.118 0.000 0.966 119 Q CA 1.529 57.301 55.803 -0.052 0.000 0.845 119 Q CB -0.404 28.329 28.738 -0.008 0.000 0.907 119 Q HN 0.328 nan 8.270 nan 0.000 0.439 120 A N 0.271 123.018 122.820 -0.120 0.000 1.855 120 A HA -0.006 4.314 4.320 -0.001 0.000 0.215 120 A C 2.278 179.769 177.584 -0.156 0.000 1.191 120 A CA 1.861 53.835 52.037 -0.106 0.000 0.613 120 A CB -1.196 17.765 19.000 -0.066 0.000 0.829 120 A HN 0.494 nan 8.150 nan 0.000 0.442 121 A N -0.319 122.317 122.820 -0.307 0.000 1.930 121 A HA 0.232 4.552 4.320 -0.001 0.000 0.217 121 A C 2.458 179.793 177.584 -0.415 0.000 1.175 121 A CA 1.874 53.683 52.037 -0.380 0.000 0.627 121 A CB -0.904 17.731 19.000 -0.608 0.000 0.815 121 A HN 1.028 nan 8.150 nan 0.000 0.443 122 A N -1.078 121.363 122.820 -0.632 0.000 1.930 122 A HA -0.156 4.164 4.320 -0.001 0.000 0.217 122 A C 2.098 179.662 177.584 -0.033 0.000 1.175 122 A CA 1.543 53.472 52.037 -0.180 0.000 0.627 122 A CB -0.399 18.546 19.000 -0.093 0.000 0.815 122 A HN 0.481 nan 8.150 nan 0.000 0.443 123 Q N -0.072 119.690 119.800 -0.063 0.000 2.119 123 Q HA -0.111 4.229 4.340 -0.001 0.000 0.201 123 Q C 1.750 177.758 176.000 0.013 0.000 0.972 123 Q CA 1.209 57.002 55.803 -0.017 0.000 0.847 123 Q CB -0.267 28.452 28.738 -0.031 0.000 0.903 123 Q HN 0.516 nan 8.270 nan 0.000 0.433 124 K N 0.227 120.643 120.400 0.027 0.000 2.167 124 K HA 0.100 4.419 4.320 -0.001 0.000 0.203 124 K C 1.944 178.633 176.600 0.148 0.000 1.052 124 K CA 0.800 57.147 56.287 0.100 0.000 0.956 124 K CB -0.101 32.507 32.500 0.179 0.000 0.735 124 K HN 0.113 nan 8.250 nan 0.000 0.451 125 A N 1.573 124.472 122.820 0.132 0.000 1.902 125 A HA -0.200 4.119 4.320 -0.001 0.000 0.217 125 A C 2.131 179.779 177.584 0.107 0.000 1.181 125 A CA 1.372 53.498 52.037 0.148 0.000 0.623 125 A CB -0.380 18.757 19.000 0.229 0.000 0.818 125 A HN 0.350 nan 8.150 nan 0.000 0.443 126 Q N -0.878 118.974 119.800 0.087 0.000 2.172 126 Q HA -0.124 4.216 4.340 -0.001 0.000 0.200 126 Q C 1.882 177.916 176.000 0.057 0.000 0.964 126 Q CA 1.101 56.942 55.803 0.064 0.000 0.855 126 Q CB -0.090 28.679 28.738 0.051 0.000 0.918 126 Q HN 0.581 nan 8.270 nan 0.000 0.444 127 E N 0.530 120.767 120.200 0.062 0.000 2.110 127 E HA -0.150 4.200 4.350 -0.001 0.000 0.193 127 E C 1.948 178.593 176.600 0.075 0.000 0.988 127 E CA 0.799 57.234 56.400 0.058 0.000 0.804 127 E CB 0.005 29.736 29.700 0.052 0.000 0.745 127 E HN 0.218 nan 8.360 nan 0.000 0.458 128 L N 0.455 121.738 121.223 0.100 0.000 2.093 128 L HA -0.095 4.244 4.340 -0.001 0.000 0.208 128 L C 2.423 179.335 176.870 0.069 0.000 1.085 128 L CA 1.122 56.022 54.840 0.100 0.000 0.755 128 L CB -0.820 41.305 42.059 0.111 0.000 0.904 128 L HN 0.095 nan 8.230 nan 0.000 0.435 129 L N -1.031 120.229 121.223 0.062 0.000 2.093 129 L HA -0.220 4.120 4.340 -0.001 0.000 0.208 129 L C 2.431 179.325 176.870 0.041 0.000 1.085 129 L CA 1.194 56.062 54.840 0.047 0.000 0.755 129 L CB -0.450 41.635 42.059 0.043 0.000 0.904 129 L HN 0.231 nan 8.230 nan 0.000 0.435 130 K N -0.772 119.652 120.400 0.041 0.000 2.155 130 K HA -0.083 4.237 4.320 -0.001 0.000 0.203 130 K C 2.045 178.665 176.600 0.034 0.000 1.052 130 K CA 1.443 57.750 56.287 0.033 0.000 0.948 130 K CB -0.134 32.384 32.500 0.030 0.000 0.728 130 K HN 0.263 nan 8.250 nan 0.000 0.448 131 T N 1.950 116.529 114.554 0.042 0.000 2.777 131 T HA -0.075 4.274 4.350 -0.001 0.000 0.266 131 T C 1.852 176.574 174.700 0.037 0.000 1.040 131 T CA 1.264 63.389 62.100 0.042 0.000 1.141 131 T CB -0.120 68.782 68.868 0.057 0.000 0.868 131 T HN 0.384 nan 8.240 nan 0.000 0.444 132 I N -0.454 120.140 120.570 0.040 0.000 3.728 132 I HA 0.473 4.643 4.170 -0.001 0.000 0.307 132 I C 1.018 177.153 176.117 0.030 0.000 1.276 132 I CA -0.597 60.725 61.300 0.037 0.000 1.285 132 I CB -0.427 37.602 38.000 0.048 0.000 1.038 132 I HN -0.056 nan 8.210 nan 0.000 0.445 133 A N 1.501 124.338 122.820 0.028 0.000 2.567 133 A HA 0.121 4.441 4.320 -0.001 0.000 0.240 133 A C 0.098 177.693 177.584 0.019 0.000 1.053 133 A CA 0.000 52.051 52.037 0.023 0.000 0.755 133 A CB -0.184 18.829 19.000 0.022 0.000 0.978 133 A HN 0.639 nan 8.150 nan 0.000 0.507 134 C N 3.759 123.069 119.300 0.016 0.000 2.273 134 C HA 0.448 4.907 4.460 -0.001 0.000 0.328 134 C C 0.317 175.313 174.990 0.011 0.000 1.275 134 C CA -0.682 58.343 59.018 0.013 0.000 1.704 134 C CB -0.792 26.955 27.740 0.012 0.000 2.326 134 C HN 0.881 nan 8.230 nan 0.000 0.517 135 E N 3.689 123.894 120.200 0.010 0.000 2.316 135 E HA 0.423 4.773 4.350 -0.001 0.000 0.275 135 E C -0.113 176.491 176.600 0.007 0.000 1.029 135 E CA -0.062 56.343 56.400 0.008 0.000 0.871 135 E CB 1.165 30.869 29.700 0.008 0.000 1.022 135 E HN 0.700 nan 8.360 nan 0.000 0.418 136 V N -0.510 119.408 119.914 0.006 0.000 3.040 136 V HA 0.729 4.849 4.120 -0.001 0.000 0.312 136 V C 0.321 176.418 176.094 0.005 0.000 1.115 136 V CA -1.135 61.168 62.300 0.005 0.000 0.998 136 V CB 1.673 33.499 31.823 0.005 0.000 1.042 136 V HN 0.660 nan 8.190 nan 0.000 0.433 137 G N 0.614 109.416 108.800 0.004 0.000 2.365 137 G HA2 0.481 4.441 3.960 -0.001 0.000 0.249 137 G HA3 0.481 4.441 3.960 -0.001 0.000 0.249 137 G C 0.966 175.868 174.900 0.004 0.000 1.288 137 G CA 0.127 45.229 45.100 0.003 0.000 0.887 137 G HN 1.657 nan 8.290 nan 0.000 0.524 138 A N 2.346 125.168 122.820 0.004 0.000 1.940 138 A HA -0.057 4.262 4.320 -0.001 0.000 0.219 138 A C 1.943 179.529 177.584 0.004 0.000 1.176 138 A CA 1.198 53.238 52.037 0.004 0.000 0.631 138 A CB -0.003 19.000 19.000 0.004 0.000 0.814 138 A HN 0.516 nan 8.150 nan 0.000 0.446 139 Q N 0.005 119.808 119.800 0.003 0.000 2.201 139 Q HA 0.107 4.447 4.340 -0.001 0.000 0.236 139 Q C -0.944 175.057 176.000 0.002 0.000 0.857 139 Q CA -0.132 55.673 55.803 0.003 0.000 1.025 139 Q CB 0.025 28.765 28.738 0.003 0.000 1.124 139 Q HN 0.720 nan 8.270 nan 0.000 0.473 140 D N 0.729 121.130 120.400 0.002 0.000 2.344 140 D HA 0.005 4.644 4.640 -0.001 0.000 0.253 140 D C 1.250 177.551 176.300 0.001 0.000 1.255 140 D CA 0.064 54.065 54.000 0.001 0.000 0.894 140 D CB 0.883 41.684 40.800 0.001 0.000 1.067 140 D HN -0.218 nan 8.370 nan 0.000 0.492 141 K N 3.408 123.808 120.400 0.000 0.000 2.077 141 K HA -0.293 4.027 4.320 -0.001 0.000 0.213 141 K C 1.553 178.152 176.600 -0.002 0.000 1.051 141 K CA 2.069 58.355 56.287 -0.001 0.000 0.929 141 K CB -0.105 32.394 32.500 -0.001 0.000 0.715 141 K HN 0.660 nan 8.250 nan 0.000 0.451 142 E N -0.451 119.748 120.200 -0.003 0.000 2.023 142 E HA -0.222 4.128 4.350 -0.001 0.000 0.196 142 E C 1.993 178.591 176.600 -0.004 0.000 1.003 142 E CA 1.658 58.056 56.400 -0.004 0.000 0.809 142 E CB -0.274 29.423 29.700 -0.004 0.000 0.755 142 E HN 0.340 nan 8.360 nan 0.000 0.449 143 I N 0.581 121.150 120.570 -0.002 0.000 2.454 143 I HA -0.203 3.967 4.170 -0.001 0.000 0.254 143 I C 1.878 177.995 176.117 0.000 0.000 1.156 143 I CA 0.728 62.028 61.300 -0.000 0.000 1.433 143 I CB -0.059 37.942 38.000 0.002 0.000 1.082 143 I HN 0.212 nan 8.210 nan 0.000 0.432 144 L N 0.065 121.288 121.223 -0.000 0.000 2.141 144 L HA -0.141 4.199 4.340 -0.001 0.000 0.209 144 L C 2.644 179.514 176.870 -0.001 0.000 1.094 144 L CA 2.297 57.138 54.840 0.001 0.000 0.763 144 L CB -1.567 40.493 42.059 0.001 0.000 0.908 144 L HN 0.493 nan 8.230 nan 0.000 0.437 145 T N -4.947 109.605 114.554 -0.003 0.000 3.035 145 T HA -0.068 4.281 4.350 -0.001 0.000 0.259 145 T C 1.898 176.593 174.700 -0.009 0.000 1.078 145 T CA 0.436 62.532 62.100 -0.006 0.000 1.132 145 T CB -0.065 68.798 68.868 -0.008 0.000 0.900 145 T HN 0.178 nan 8.240 nan 0.000 0.480 146 K N 0.615 121.010 120.400 -0.007 0.000 2.057 146 K HA 0.098 4.417 4.320 -0.001 0.000 0.206 146 K C 2.144 178.743 176.600 -0.003 0.000 1.050 146 K CA 0.964 57.246 56.287 -0.008 0.000 0.935 146 K CB -0.183 32.314 32.500 -0.006 0.000 0.715 146 K HN 0.252 nan 8.250 nan 0.000 0.439 147 I N 1.301 121.872 120.570 0.001 0.000 2.179 147 I HA -0.218 3.951 4.170 -0.001 0.000 0.242 147 I C 2.518 178.638 176.117 0.006 0.000 1.088 147 I CA 1.264 62.567 61.300 0.005 0.000 1.357 147 I CB -1.344 36.659 38.000 0.006 0.000 1.051 147 I HN 0.104 nan 8.210 nan 0.000 0.409 148 A N 0.773 123.595 122.820 0.003 0.000 1.865 148 A HA -0.234 4.086 4.320 -0.001 0.000 0.217 148 A C 2.397 179.982 177.584 0.002 0.000 1.191 148 A CA 1.903 53.941 52.037 0.003 0.000 0.623 148 A CB -0.660 18.340 19.000 0.000 0.000 0.826 148 A HN 0.356 nan 8.150 nan 0.000 0.444 149 M N -0.841 118.756 119.600 -0.005 0.000 2.159 149 M HA -0.122 4.357 4.480 -0.001 0.000 0.263 149 M C 2.207 178.504 176.300 -0.006 0.000 1.063 149 M CA 1.789 57.080 55.300 -0.014 0.000 1.110 149 M CB -0.639 31.943 32.600 -0.031 0.000 1.374 149 M HN 0.472 nan 8.290 nan 0.000 0.411 150 T N -0.246 114.311 114.554 0.004 0.000 2.665 150 T HA -0.182 4.168 4.350 -0.001 0.000 0.268 150 T C 1.954 176.679 174.700 0.043 0.000 1.035 150 T CA 2.020 64.135 62.100 0.026 0.000 1.151 150 T CB -0.319 68.564 68.868 0.026 0.000 0.862 150 T HN 0.398 nan 8.240 nan 0.000 0.438 151 S N 0.206 115.924 115.700 0.029 0.000 2.371 151 S HA 0.034 4.503 4.470 -0.001 0.000 0.224 151 S C 2.057 176.679 174.600 0.037 0.000 1.029 151 S CA 0.570 58.789 58.200 0.031 0.000 0.978 151 S CB -0.429 62.783 63.200 0.021 0.000 0.833 151 S HN 0.451 nan 8.310 nan 0.000 0.466 152 I N 1.679 122.266 120.570 0.028 0.000 2.226 152 I HA -0.105 4.065 4.170 -0.001 0.000 0.245 152 I C 1.322 177.466 176.117 0.045 0.000 1.100 152 I CA 0.967 62.282 61.300 0.026 0.000 1.374 152 I CB -0.935 37.071 38.000 0.010 0.000 1.057 152 I HN 0.415 nan 8.210 nan 0.000 0.413 153 T N -0.410 114.177 114.554 0.055 0.000 2.903 153 T HA 0.326 4.676 4.350 -0.001 0.000 0.314 153 T C 1.083 175.912 174.700 0.215 0.000 1.078 153 T CA 0.089 62.250 62.100 0.101 0.000 1.114 153 T CB 1.226 70.119 68.868 0.042 0.000 0.987 153 T HN 0.636 nan 8.240 nan 0.000 0.548 154 G N 0.492 109.469 108.800 0.294 0.000 2.141 154 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.242 154 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.242 154 G C -0.134 174.831 174.900 0.109 0.000 0.982 154 G CA 0.317 45.548 45.100 0.220 0.000 0.662 154 G HN 0.947 nan 8.290 nan 0.000 0.527 155 K N -0.203 120.254 120.400 0.095 0.000 2.328 155 K HA 0.707 5.027 4.320 -0.001 0.000 0.246 155 K C 1.565 178.196 176.600 0.052 0.000 0.955 155 K CA 0.179 56.500 56.287 0.058 0.000 0.817 155 K CB 0.972 33.499 32.500 0.045 0.000 1.208 155 K HN 0.282 nan 8.250 nan 0.000 0.432 156 G N 1.149 109.973 108.800 0.039 0.000 2.450 156 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.220 156 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.220 156 G C 1.048 175.965 174.900 0.028 0.000 1.130 156 G CA 1.034 46.154 45.100 0.033 0.000 0.760 156 G HN 0.638 nan 8.290 nan 0.000 0.557 157 A N 1.345 124.181 122.820 0.027 0.000 2.209 157 A HA 0.092 4.412 4.320 -0.001 0.000 0.212 157 A C 2.090 179.683 177.584 0.015 0.000 1.158 157 A CA 1.495 53.544 52.037 0.020 0.000 0.742 157 A CB -0.380 18.632 19.000 0.020 0.000 0.790 157 A HN 0.660 nan 8.150 nan 0.000 0.472 158 E N 1.380 121.591 120.200 0.019 0.000 2.333 158 E HA -0.283 4.067 4.350 -0.001 0.000 0.198 158 E C 1.557 178.154 176.600 -0.006 0.000 1.007 158 E CA 1.303 57.706 56.400 0.005 0.000 0.845 158 E CB -0.541 29.164 29.700 0.009 0.000 0.766 158 E HN 0.792 nan 8.360 nan 0.000 0.507 159 K N 0.799 121.200 120.400 0.002 0.000 2.281 159 K HA -0.080 4.240 4.320 -0.001 0.000 0.203 159 K C 1.467 178.064 176.600 -0.005 0.000 1.046 159 K CA 1.465 57.751 56.287 -0.002 0.000 0.938 159 K CB -0.008 32.495 32.500 0.005 0.000 0.737 159 K HN 0.164 nan 8.250 nan 0.000 0.458 160 A N 1.785 124.603 122.820 -0.003 0.000 2.606 160 A HA 0.137 4.456 4.320 -0.001 0.000 0.290 160 A C 1.348 178.929 177.584 -0.006 0.000 1.174 160 A CA -0.561 51.474 52.037 -0.004 0.000 0.958 160 A CB -0.042 18.959 19.000 0.001 0.000 1.194 160 A HN 0.414 nan 8.150 nan 0.000 0.526 161 K N 0.189 120.582 120.400 -0.011 0.000 2.281 161 K HA -0.198 4.122 4.320 -0.001 0.000 0.203 161 K C 0.834 177.425 176.600 -0.015 0.000 1.046 161 K CA 1.907 58.185 56.287 -0.014 0.000 0.938 161 K CB -0.115 32.370 32.500 -0.026 0.000 0.737 161 K HN 0.314 nan 8.250 nan 0.000 0.458 162 E N 1.298 121.488 120.200 -0.016 0.000 2.072 162 E HA -0.098 4.252 4.350 -0.001 0.000 0.190 162 E C 1.754 178.349 176.600 -0.008 0.000 0.982 162 E CA 1.244 57.636 56.400 -0.014 0.000 0.803 162 E CB 0.050 29.740 29.700 -0.015 0.000 0.755 162 E HN 0.258 nan 8.360 nan 0.000 0.453 163 K N 0.331 120.727 120.400 -0.005 0.000 2.057 163 K HA 0.006 4.326 4.320 -0.001 0.000 0.206 163 K C 1.971 178.571 176.600 0.001 0.000 1.050 163 K CA 0.750 57.037 56.287 -0.001 0.000 0.935 163 K CB -0.305 32.195 32.500 0.001 0.000 0.715 163 K HN 0.057 nan 8.250 nan 0.000 0.439 164 L N 0.100 121.323 121.223 0.000 0.000 2.046 164 L HA -0.185 4.154 4.340 -0.001 0.000 0.208 164 L C 2.373 179.244 176.870 0.001 0.000 1.077 164 L CA 1.403 56.245 54.840 0.002 0.000 0.747 164 L CB -0.603 41.458 42.059 0.003 0.000 0.896 164 L HN 0.196 nan 8.230 nan 0.000 0.432 165 A N -0.240 122.579 122.820 -0.002 0.000 1.933 165 A HA -0.245 4.075 4.320 -0.001 0.000 0.218 165 A C 2.176 179.759 177.584 -0.001 0.000 1.175 165 A CA 1.810 53.845 52.037 -0.003 0.000 0.628 165 A CB -0.427 18.569 19.000 -0.007 0.000 0.814 165 A HN 0.387 nan 8.150 nan 0.000 0.444 166 E N 0.199 120.398 120.200 -0.001 0.000 2.051 166 E HA -0.161 4.188 4.350 -0.001 0.000 0.192 166 E C 1.755 178.357 176.600 0.003 0.000 0.991 166 E CA 1.423 57.823 56.400 0.000 0.000 0.799 166 E CB -0.230 29.470 29.700 -0.000 0.000 0.748 166 E HN 0.468 nan 8.360 nan 0.000 0.449 167 I N 0.275 120.848 120.570 0.004 0.000 2.226 167 I HA -0.200 3.969 4.170 -0.001 0.000 0.245 167 I C 2.137 178.257 176.117 0.006 0.000 1.100 167 I CA 0.956 62.259 61.300 0.006 0.000 1.374 167 I CB -0.799 37.206 38.000 0.008 0.000 1.057 167 I HN 0.197 nan 8.210 nan 0.000 0.413 168 I N -0.062 120.510 120.570 0.004 0.000 2.406 168 I HA -0.149 4.021 4.170 -0.001 0.000 0.249 168 I C 2.487 178.606 176.117 0.004 0.000 1.122 168 I CA 0.898 62.200 61.300 0.004 0.000 1.431 168 I CB -0.404 37.598 38.000 0.004 0.000 1.087 168 I HN -0.095 nan 8.210 nan 0.000 0.424 169 V N 0.280 120.195 119.914 0.003 0.000 2.358 169 V HA -0.197 3.922 4.120 -0.001 0.000 0.246 169 V C 2.449 178.545 176.094 0.004 0.000 1.047 169 V CA 1.528 63.830 62.300 0.003 0.000 1.035 169 V CB -0.580 31.243 31.823 0.002 0.000 0.658 169 V HN 0.380 nan 8.190 nan 0.000 0.452 170 E N 0.387 120.589 120.200 0.004 0.000 2.072 170 E HA -0.132 4.218 4.350 -0.001 0.000 0.191 170 E C 2.378 178.982 176.600 0.006 0.000 0.985 170 E CA 1.415 57.818 56.400 0.005 0.000 0.801 170 E CB -0.459 29.244 29.700 0.006 0.000 0.750 170 E HN 0.555 nan 8.360 nan 0.000 0.452 171 A N 1.138 123.962 122.820 0.006 0.000 1.902 171 A HA -0.138 4.182 4.320 -0.001 0.000 0.217 171 A C 2.623 180.210 177.584 0.005 0.000 1.181 171 A CA 1.450 53.491 52.037 0.006 0.000 0.623 171 A CB -0.690 18.313 19.000 0.005 0.000 0.818 171 A HN 0.124 nan 8.150 nan 0.000 0.443 172 V N -0.260 119.657 119.914 0.004 0.000 2.261 172 V HA -0.212 3.907 4.120 -0.001 0.000 0.246 172 V C 2.762 178.859 176.094 0.005 0.000 1.047 172 V CA 2.369 64.671 62.300 0.004 0.000 1.015 172 V CB -0.833 30.993 31.823 0.004 0.000 0.642 172 V HN 0.549 nan 8.190 nan 0.000 0.446 173 S N 0.008 115.712 115.700 0.005 0.000 2.419 173 S HA -0.125 4.345 4.470 -0.001 0.000 0.233 173 S C 2.137 176.742 174.600 0.007 0.000 1.016 173 S CA 1.236 59.440 58.200 0.006 0.000 0.974 173 S CB -0.393 62.810 63.200 0.006 0.000 0.786 173 S HN 0.645 nan 8.310 nan 0.000 0.492 174 A N 1.058 123.882 122.820 0.008 0.000 1.930 174 A HA -0.020 4.300 4.320 -0.001 0.000 0.217 174 A C 2.240 179.830 177.584 0.011 0.000 1.175 174 A CA 1.656 53.699 52.037 0.010 0.000 0.627 174 A CB -0.538 18.468 19.000 0.009 0.000 0.815 174 A HN 0.580 nan 8.150 nan 0.000 0.443 175 V N -3.657 116.262 119.914 0.008 0.000 3.660 175 V HA 0.134 4.254 4.120 -0.001 0.000 0.276 175 V C 1.871 177.969 176.094 0.006 0.000 1.317 175 V CA 0.869 63.174 62.300 0.007 0.000 1.097 175 V CB -0.302 31.523 31.823 0.004 0.000 0.863 175 V HN 0.156 nan 8.190 nan 0.000 0.438 176 V N 1.001 120.918 119.914 0.006 0.000 2.568 176 V HA -0.185 3.935 4.120 -0.001 0.000 0.253 176 V C 1.624 177.721 176.094 0.006 0.000 1.072 176 V CA 2.602 64.905 62.300 0.005 0.000 1.084 176 V CB -0.597 31.229 31.823 0.005 0.000 0.676 176 V HN 0.897 nan 8.190 nan 0.000 0.469 177 D N -1.055 119.349 120.400 0.008 0.000 4.438 177 D HA -0.222 4.417 4.640 -0.001 0.000 0.158 177 D C 0.617 176.921 176.300 0.007 0.000 0.686 177 D CA 1.921 55.926 54.000 0.008 0.000 1.183 177 D CB -1.234 39.569 40.800 0.005 0.000 0.623 177 D HN 0.573 nan 8.370 nan 0.000 0.521 178 D N 1.618 122.021 120.400 0.004 0.000 2.414 178 D HA 0.216 4.855 4.640 -0.001 0.000 0.251 178 D C -0.199 176.103 176.300 0.004 0.000 1.252 178 D CA 0.300 54.302 54.000 0.003 0.000 0.999 178 D CB 0.406 41.207 40.800 0.002 0.000 1.093 178 D HN 0.199 nan 8.370 nan 0.000 0.515 179 E N -0.304 119.898 120.200 0.003 0.000 2.373 179 E HA 0.549 4.898 4.350 -0.001 0.000 0.233 179 E C -0.238 176.363 176.600 0.003 0.000 1.035 179 E CA -0.622 55.780 56.400 0.004 0.000 0.930 179 E CB 0.626 30.328 29.700 0.004 0.000 1.278 179 E HN 0.450 nan 8.360 nan 0.000 0.452 180 G N 1.453 110.255 108.800 0.003 0.000 2.340 180 G HA2 0.258 4.218 3.960 -0.001 0.000 0.298 180 G HA3 0.258 4.218 3.960 -0.001 0.000 0.298 180 G C -1.744 173.157 174.900 0.003 0.000 1.498 180 G CA -0.736 44.366 45.100 0.003 0.000 0.847 180 G HN 0.021 nan 8.290 nan 0.000 0.594 181 K N 0.467 120.869 120.400 0.003 0.000 2.550 181 K HA 0.541 4.861 4.320 -0.001 0.000 0.252 181 K C -1.384 175.218 176.600 0.003 0.000 0.943 181 K CA -0.541 55.747 56.287 0.003 0.000 0.806 181 K CB 2.261 34.762 32.500 0.002 0.000 1.289 181 K HN 0.512 nan 8.250 nan 0.000 0.435 182 V N 3.415 123.331 119.914 0.003 0.000 2.370 182 V HA 0.205 4.325 4.120 -0.001 0.000 0.279 182 V C -0.249 175.845 176.094 0.002 0.000 1.029 182 V CA -0.717 61.585 62.300 0.002 0.000 0.870 182 V CB 1.319 33.144 31.823 0.003 0.000 0.984 182 V HN 0.606 nan 8.190 nan 0.000 0.451 183 D N 4.023 124.424 120.400 0.001 0.000 2.427 183 D HA 0.197 4.837 4.640 -0.001 0.000 0.226 183 D C 0.975 177.274 176.300 -0.002 0.000 1.076 183 D CA -0.386 53.614 54.000 -0.001 0.000 0.849 183 D CB 1.424 42.223 40.800 -0.002 0.000 1.052 183 D HN 0.511 nan 8.370 nan 0.000 0.515 184 K N 2.753 123.152 120.400 -0.002 0.000 2.218 184 K HA -0.231 4.089 4.320 -0.001 0.000 0.205 184 K C 0.964 177.560 176.600 -0.006 0.000 1.046 184 K CA 1.320 57.605 56.287 -0.003 0.000 0.933 184 K CB 0.161 32.660 32.500 -0.002 0.000 0.728 184 K HN 0.331 nan 8.250 nan 0.000 0.454 185 D N 0.192 120.588 120.400 -0.007 0.000 2.309 185 D HA -0.110 4.530 4.640 -0.001 0.000 0.212 185 D C 1.389 177.682 176.300 -0.012 0.000 0.968 185 D CA 0.700 54.693 54.000 -0.010 0.000 0.882 185 D CB 0.129 40.923 40.800 -0.010 0.000 0.918 185 D HN 0.263 nan 8.370 nan 0.000 0.503 186 L N -0.304 120.913 121.223 -0.009 0.000 2.554 186 L HA 0.171 4.511 4.340 -0.001 0.000 0.226 186 L C 0.371 177.235 176.870 -0.010 0.000 1.137 186 L CA 0.181 55.016 54.840 -0.009 0.000 0.863 186 L CB 0.085 42.141 42.059 -0.004 0.000 0.985 186 L HN 0.009 nan 8.230 nan 0.000 0.451 187 I N 0.269 120.833 120.570 -0.010 0.000 2.382 187 I HA 0.235 4.405 4.170 -0.001 0.000 0.286 187 I C 0.075 176.182 176.117 -0.015 0.000 1.002 187 I CA -0.461 60.833 61.300 -0.010 0.000 1.135 187 I CB 1.682 39.679 38.000 -0.005 0.000 1.288 187 I HN -0.113 nan 8.210 nan 0.000 0.448 188 K N 6.625 127.012 120.400 -0.021 0.000 2.172 188 K HA 0.427 4.747 4.320 -0.001 0.000 0.276 188 K C -0.705 175.881 176.600 -0.023 0.000 1.013 188 K CA -0.595 55.675 56.287 -0.028 0.000 0.913 188 K CB 1.266 33.741 32.500 -0.042 0.000 1.055 188 K HN 0.452 nan 8.250 nan 0.000 0.461 189 I N 3.976 124.533 120.570 -0.021 0.000 2.307 189 I HA 0.174 4.344 4.170 -0.001 0.000 0.287 189 I C 0.100 176.204 176.117 -0.022 0.000 1.054 189 I CA -0.583 60.708 61.300 -0.016 0.000 1.218 189 I CB 0.578 38.572 38.000 -0.010 0.000 1.398 189 I HN 0.517 nan 8.210 nan 0.000 0.475 190 E N 7.312 127.498 120.200 -0.025 0.000 2.199 190 E HA 0.548 4.898 4.350 -0.001 0.000 0.269 190 E C -0.948 175.641 176.600 -0.019 0.000 0.899 190 E CA -0.745 55.635 56.400 -0.032 0.000 0.772 190 E CB 1.405 31.073 29.700 -0.054 0.000 1.155 190 E HN 0.541 nan 8.360 nan 0.000 0.408 191 K N 2.910 123.298 120.400 -0.019 0.000 2.471 191 K HA 0.613 4.933 4.320 -0.001 0.000 0.252 191 K C -0.929 175.663 176.600 -0.014 0.000 0.938 191 K CA -1.104 55.176 56.287 -0.011 0.000 0.796 191 K CB 1.592 34.086 32.500 -0.009 0.000 1.161 191 K HN 0.097 nan 8.250 nan 0.000 0.425 192 K N 2.027 122.424 120.400 -0.006 0.000 2.507 192 K HA 0.218 4.537 4.320 -0.001 0.000 0.251 192 K C -0.645 175.953 176.600 -0.002 0.000 0.943 192 K CA -0.582 55.702 56.287 -0.005 0.000 0.794 192 K CB 2.138 34.644 32.500 0.009 0.000 1.188 192 K HN 0.992 nan 8.250 nan 0.000 0.428 193 S N 0.429 116.121 115.700 -0.014 0.000 2.584 193 S HA 0.675 5.144 4.470 -0.001 0.000 0.270 193 S C 0.565 175.164 174.600 -0.001 0.000 1.346 193 S CA 0.325 58.518 58.200 -0.013 0.000 1.018 193 S CB 0.824 64.007 63.200 -0.029 0.000 0.899 193 S HN 0.931 nan 8.310 nan 0.000 0.542 194 G N -0.195 108.606 108.800 0.002 0.000 2.640 194 G HA2 0.475 4.435 3.960 -0.001 0.000 0.686 194 G HA3 0.475 4.435 3.960 -0.001 0.000 0.686 194 G C -0.042 174.864 174.900 0.010 0.000 1.229 194 G CA -0.125 44.979 45.100 0.007 0.000 0.796 194 G HN 2.405 nan 8.290 nan 0.000 0.654 195 A N -0.332 122.494 122.820 0.009 0.000 5.953 195 A HA 0.387 4.707 4.320 -0.001 0.000 0.267 195 A C 1.187 178.777 177.584 0.009 0.000 2.116 195 A CA 1.972 54.015 52.037 0.010 0.000 0.711 195 A CB -1.624 17.383 19.000 0.012 0.000 1.100 195 A HN 2.749 nan 8.150 nan 0.000 0.364 196 S N -2.834 112.872 115.700 0.009 0.000 2.851 196 S HA 0.691 5.160 4.470 -0.001 0.000 0.317 196 S C 1.197 175.803 174.600 0.010 0.000 1.144 196 S CA -0.109 58.097 58.200 0.010 0.000 0.862 196 S CB 0.628 63.833 63.200 0.008 0.000 1.259 196 S HN 1.019 nan 8.310 nan 0.000 0.564 197 I N 2.010 122.586 120.570 0.010 0.000 2.546 197 I HA -0.033 4.136 4.170 -0.001 0.000 0.255 197 I C 1.515 177.637 176.117 0.009 0.000 1.163 197 I CA 1.183 62.489 61.300 0.010 0.000 1.457 197 I CB -1.347 36.659 38.000 0.011 0.000 1.092 197 I HN 0.586 nan 8.210 nan 0.000 0.434 198 D N 1.247 121.651 120.400 0.007 0.000 2.218 198 D HA -0.172 4.467 4.640 -0.001 0.000 0.204 198 D C 1.342 177.646 176.300 0.007 0.000 0.976 198 D CA 1.193 55.197 54.000 0.005 0.000 0.853 198 D CB -0.115 40.687 40.800 0.004 0.000 0.939 198 D HN 0.432 nan 8.370 nan 0.000 0.481 199 D N -0.175 120.230 120.400 0.009 0.000 2.347 199 D HA -0.034 4.605 4.640 -0.001 0.000 0.215 199 D C 0.329 176.639 176.300 0.016 0.000 0.976 199 D CA 0.424 54.431 54.000 0.012 0.000 0.884 199 D CB -0.015 40.793 40.800 0.012 0.000 0.915 199 D HN -0.045 nan 8.370 nan 0.000 0.526 200 T N 1.787 116.350 114.554 0.016 0.000 2.905 200 T HA 0.063 4.412 4.350 -0.001 0.000 0.299 200 T C 0.228 174.940 174.700 0.020 0.000 1.024 200 T CA 0.383 62.494 62.100 0.019 0.000 1.151 200 T CB 0.222 69.099 68.868 0.014 0.000 0.987 200 T HN 0.303 nan 8.240 nan 0.000 0.535 201 E N 2.040 122.256 120.200 0.027 0.000 2.408 201 E HA 0.596 4.946 4.350 -0.001 0.000 0.275 201 E C -1.489 175.131 176.600 0.033 0.000 0.935 201 E CA -1.189 55.228 56.400 0.029 0.000 0.775 201 E CB 1.303 31.024 29.700 0.034 0.000 1.277 201 E HN 0.326 nan 8.360 nan 0.000 0.455 202 L N 2.506 123.746 121.223 0.028 0.000 2.275 202 L HA 0.484 4.823 4.340 -0.001 0.000 0.288 202 L C -1.234 175.659 176.870 0.038 0.000 1.046 202 L CA -0.390 54.467 54.840 0.028 0.000 0.805 202 L CB 0.881 42.951 42.059 0.018 0.000 1.193 202 L HN 0.610 nan 8.230 nan 0.000 0.426 203 I N 5.221 125.819 120.570 0.047 0.000 2.359 203 I HA 0.257 4.427 4.170 -0.001 0.000 0.284 203 I C -0.128 176.018 176.117 0.047 0.000 1.018 203 I CA -0.855 60.486 61.300 0.068 0.000 1.173 203 I CB 0.994 39.069 38.000 0.124 0.000 1.326 203 I HN 0.477 nan 8.210 nan 0.000 0.462 204 K N 5.299 125.722 120.400 0.039 0.000 2.081 204 K HA 0.441 4.761 4.320 -0.001 0.000 0.230 204 K C 0.306 176.924 176.600 0.029 0.000 1.199 204 K CA -0.077 56.226 56.287 0.026 0.000 1.130 204 K CB -0.032 32.479 32.500 0.018 0.000 1.386 204 K HN 0.848 nan 8.250 nan 0.000 0.280 205 G N -1.252 107.564 108.800 0.027 0.000 2.335 205 G HA2 0.267 4.227 3.960 -0.001 0.000 0.291 205 G HA3 0.267 4.227 3.960 -0.001 0.000 0.291 205 G C -1.704 173.194 174.900 -0.003 0.000 1.261 205 G CA -0.804 44.309 45.100 0.022 0.000 0.871 205 G HN 0.033 nan 8.290 nan 0.000 0.491 206 V N 0.715 120.616 119.914 -0.022 0.000 2.409 206 V HA 0.655 4.775 4.120 -0.001 0.000 0.291 206 V C -0.717 175.302 176.094 -0.126 0.000 1.020 206 V CA -0.602 61.651 62.300 -0.077 0.000 0.848 206 V CB 1.241 33.000 31.823 -0.106 0.000 0.990 206 V HN 0.818 nan 8.190 nan 0.000 0.430 207 L N 7.911 129.018 121.223 -0.193 0.000 2.313 207 L HA 0.852 5.192 4.340 -0.001 0.000 0.283 207 L C -0.349 176.358 176.870 -0.271 0.000 1.013 207 L CA -0.149 54.465 54.840 -0.375 0.000 0.816 207 L CB 1.750 43.489 42.059 -0.535 0.000 1.236 207 L HN 0.562 nan 8.230 nan 0.000 0.419 208 V N 1.533 121.297 119.914 -0.250 0.000 2.864 208 V HA 0.611 4.730 4.120 -0.001 0.000 0.314 208 V C -0.358 175.662 176.094 -0.123 0.000 1.073 208 V CA -0.516 61.697 62.300 -0.145 0.000 0.956 208 V CB 1.858 33.631 31.823 -0.082 0.000 1.023 208 V HN 0.828 nan 8.190 nan 0.000 0.435 209 D N 1.055 121.410 120.400 -0.076 0.000 3.085 209 D HA 0.287 4.926 4.640 -0.001 0.000 0.243 209 D C -0.153 176.141 176.300 -0.010 0.000 1.232 209 D CA -0.276 53.695 54.000 -0.048 0.000 0.913 209 D CB 0.310 41.086 40.800 -0.040 0.000 1.108 209 D HN 0.527 nan 8.370 nan 0.000 0.468 210 K N 0.473 120.879 120.400 0.009 0.000 2.340 210 K HA 0.419 4.738 4.320 -0.001 0.000 0.244 210 K C 0.161 176.785 176.600 0.041 0.000 0.973 210 K CA -0.810 55.500 56.287 0.038 0.000 0.828 210 K CB 2.270 34.822 32.500 0.087 0.000 1.226 210 K HN 0.265 nan 8.250 nan 0.000 0.437 211 E N 0.544 120.761 120.200 0.029 0.000 2.334 211 E HA 0.489 4.839 4.350 -0.001 0.000 0.256 211 E C -0.657 175.943 176.600 0.000 0.000 0.958 211 E CA -1.153 55.261 56.400 0.023 0.000 0.821 211 E CB 0.899 30.609 29.700 0.017 0.000 1.269 211 E HN 0.091 nan 8.360 nan 0.000 0.413 212 R N 1.202 121.699 120.500 -0.006 0.000 2.242 212 R HA 0.084 4.423 4.340 -0.001 0.000 0.334 212 R C 0.853 177.134 176.300 -0.032 0.000 1.071 212 R CA -0.154 55.928 56.100 -0.030 0.000 0.922 212 R CB 0.877 31.164 30.300 -0.022 0.000 1.023 212 R HN 0.581 nan 8.270 nan 0.000 0.458 213 V N 1.977 121.862 119.914 -0.048 0.000 2.546 213 V HA -0.177 3.943 4.120 -0.001 0.000 0.254 213 V C 0.737 176.801 176.094 -0.050 0.000 1.076 213 V CA 2.010 64.280 62.300 -0.050 0.000 1.087 213 V CB 0.032 31.816 31.823 -0.065 0.000 0.674 213 V HN 0.714 nan 8.190 nan 0.000 0.470 214 S N -2.207 113.467 115.700 -0.044 0.000 2.536 214 S HA 0.671 5.141 4.470 -0.001 0.000 0.287 214 S C 0.749 175.342 174.600 -0.012 0.000 1.101 214 S CA -0.183 57.997 58.200 -0.032 0.000 0.950 214 S CB 1.840 65.017 63.200 -0.038 0.000 1.056 214 S HN 0.516 nan 8.310 nan 0.000 0.481 215 A N 2.988 125.807 122.820 -0.002 0.000 2.125 215 A HA -0.069 4.251 4.320 -0.001 0.000 0.219 215 A C 1.868 179.459 177.584 0.011 0.000 1.156 215 A CA 1.624 53.664 52.037 0.006 0.000 0.671 215 A CB -0.586 18.420 19.000 0.009 0.000 0.794 215 A HN 0.894 nan 8.150 nan 0.000 0.459 216 Q N -1.087 118.724 119.800 0.018 0.000 2.389 216 Q HA 0.118 4.458 4.340 -0.001 0.000 0.204 216 Q C 0.489 176.499 176.000 0.018 0.000 0.944 216 Q CA 0.046 55.865 55.803 0.026 0.000 0.908 216 Q CB -0.062 28.706 28.738 0.050 0.000 1.002 216 Q HN 0.684 nan 8.270 nan 0.000 0.493 217 M N 1.898 121.502 119.600 0.007 0.000 2.255 217 M HA 0.275 4.755 4.480 -0.001 0.000 0.336 217 M C -2.080 174.219 176.300 -0.002 0.000 1.135 217 M CA -2.022 53.278 55.300 -0.001 0.000 1.145 217 M CB 0.683 33.273 32.600 -0.017 0.000 1.473 217 M HN -0.084 nan 8.290 nan 0.000 0.462 218 P HA 0.015 nan 4.420 nan 0.000 0.266 218 P C -0.471 176.827 177.300 -0.003 0.000 1.193 218 P CA 0.280 63.379 63.100 -0.001 0.000 0.770 218 P CB 0.455 32.153 31.700 -0.002 0.000 0.836 219 K N 1.443 121.845 120.400 0.003 0.000 2.393 219 K HA 0.046 4.365 4.320 -0.001 0.000 0.193 219 K C 0.590 177.200 176.600 0.016 0.000 1.026 219 K CA 0.542 56.835 56.287 0.009 0.000 1.064 219 K CB 0.094 32.600 32.500 0.010 0.000 0.833 219 K HN 0.507 nan 8.250 nan 0.000 0.521 220 K N -0.874 119.534 120.400 0.012 0.000 2.568 220 K HA 0.395 4.714 4.320 -0.001 0.000 0.273 220 K C -1.329 175.279 176.600 0.014 0.000 0.951 220 K CA -0.921 55.378 56.287 0.019 0.000 0.854 220 K CB 2.125 34.635 32.500 0.017 0.000 1.424 220 K HN -0.279 nan 8.250 nan 0.000 0.427 221 V N 1.447 121.374 119.914 0.021 0.000 2.525 221 V HA 0.400 4.520 4.120 -0.001 0.000 0.299 221 V C -0.404 175.705 176.094 0.025 0.000 1.034 221 V CA -0.598 61.712 62.300 0.017 0.000 0.863 221 V CB 1.807 33.638 31.823 0.013 0.000 0.999 221 V HN 1.005 nan 8.190 nan 0.000 0.423 222 T N -0.052 114.513 114.554 0.018 0.000 2.902 222 T HA 0.539 4.888 4.350 -0.001 0.000 0.283 222 T C 0.167 174.878 174.700 0.018 0.000 1.009 222 T CA -0.221 61.890 62.100 0.018 0.000 1.051 222 T CB 1.275 70.150 68.868 0.011 0.000 0.999 222 T HN 0.799 nan 8.240 nan 0.000 0.474 223 D N 0.397 120.809 120.400 0.019 0.000 2.689 223 D HA -0.160 4.479 4.640 -0.001 0.000 0.237 223 D C 0.323 176.639 176.300 0.025 0.000 1.148 223 D CA 0.836 54.848 54.000 0.019 0.000 0.656 223 D CB -1.258 39.551 40.800 0.014 0.000 1.050 223 D HN 1.107 nan 8.370 nan 0.000 0.426 224 A N 1.393 124.234 122.820 0.034 0.000 2.477 224 A HA 0.353 4.672 4.320 -0.001 0.000 0.246 224 A C 0.505 178.118 177.584 0.047 0.000 1.078 224 A CA 0.189 52.252 52.037 0.043 0.000 0.770 224 A CB 0.547 19.584 19.000 0.062 0.000 1.011 224 A HN 0.156 nan 8.150 nan 0.000 0.494 225 K N 3.019 123.445 120.400 0.044 0.000 2.347 225 K HA 0.386 4.705 4.320 -0.001 0.000 0.262 225 K C -1.195 175.442 176.600 0.061 0.000 1.052 225 K CA -0.243 56.071 56.287 0.046 0.000 0.946 225 K CB 0.931 33.450 32.500 0.032 0.000 1.220 225 K HN 0.524 nan 8.250 nan 0.000 0.450 226 I N 2.141 122.764 120.570 0.088 0.000 2.342 226 I HA 0.202 4.372 4.170 -0.001 0.000 0.291 226 I C 0.372 176.561 176.117 0.120 0.000 1.010 226 I CA -0.172 61.213 61.300 0.142 0.000 1.308 226 I CB 1.363 39.483 38.000 0.199 0.000 1.400 226 I HN 0.508 nan 8.210 nan 0.000 0.488 227 A N 7.590 130.485 122.820 0.125 0.000 2.330 227 A HA 0.847 5.166 4.320 -0.001 0.000 0.327 227 A C -0.767 176.904 177.584 0.145 0.000 1.155 227 A CA -0.562 51.535 52.037 0.099 0.000 0.803 227 A CB 0.640 19.675 19.000 0.058 0.000 1.208 227 A HN 0.658 nan 8.150 nan 0.000 0.477 228 L N 3.454 124.742 121.223 0.108 0.000 2.318 228 L HA 0.463 4.803 4.340 -0.001 0.000 0.277 228 L C -1.045 175.866 176.870 0.069 0.000 1.008 228 L CA -0.101 54.802 54.840 0.105 0.000 0.846 228 L CB 1.036 43.136 42.059 0.067 0.000 1.220 228 L HN 0.571 nan 8.230 nan 0.000 0.423 229 L N 3.117 124.383 121.223 0.071 0.000 2.341 229 L HA 0.370 4.710 4.340 -0.001 0.000 0.278 229 L C 0.530 177.426 176.870 0.044 0.000 1.005 229 L CA -0.567 54.301 54.840 0.047 0.000 0.818 229 L CB 1.964 44.047 42.059 0.039 0.000 1.259 229 L HN 0.584 nan 8.230 nan 0.000 0.418 230 N N 0.188 118.907 118.700 0.031 0.000 2.353 230 N HA -0.019 4.721 4.740 -0.001 0.000 0.185 230 N C 0.238 175.760 175.510 0.020 0.000 1.098 230 N CA -0.209 52.855 53.050 0.025 0.000 0.872 230 N CB 0.173 38.671 38.487 0.018 0.000 0.970 230 N HN 0.412 nan 8.380 nan 0.000 0.467 231 C N 1.506 120.818 119.300 0.019 0.000 2.435 231 C HA 0.767 5.226 4.460 -0.001 0.000 0.375 231 C C 0.949 175.948 174.990 0.015 0.000 1.281 231 C CA -0.986 58.041 59.018 0.015 0.000 1.963 231 C CB -1.248 26.501 27.740 0.015 0.000 2.490 231 C HN 0.577 nan 8.230 nan 0.000 0.557 232 A N 6.576 129.402 122.820 0.010 0.000 2.520 232 A HA 0.362 4.682 4.320 -0.001 0.000 0.235 232 A C 0.420 178.008 177.584 0.005 0.000 1.065 232 A CA 0.004 52.045 52.037 0.006 0.000 0.764 232 A CB 0.072 19.074 19.000 0.003 0.000 1.002 232 A HN 0.815 nan 8.150 nan 0.000 0.502 233 I N 2.442 123.012 120.570 0.001 0.000 2.191 233 I HA 0.186 4.356 4.170 -0.001 0.000 0.289 233 I C 0.116 176.230 176.117 -0.005 0.000 1.141 233 I CA 0.727 62.028 61.300 0.001 0.000 1.430 233 I CB -1.539 36.459 38.000 -0.004 0.000 1.497 233 I HN 0.609 nan 8.210 nan 0.000 0.636 234 E N 2.943 123.143 120.200 -0.000 0.000 2.283 234 E HA 0.453 4.803 4.350 -0.001 0.000 0.258 234 E C -0.794 175.809 176.600 0.006 0.000 0.893 234 E CA -0.488 55.910 56.400 -0.003 0.000 0.798 234 E CB 2.335 32.032 29.700 -0.006 0.000 1.242 234 E HN 0.199 nan 8.360 nan 0.000 0.414 235 E N 1.893 122.098 120.200 0.009 0.000 2.278 235 E HA 0.180 4.530 4.350 -0.001 0.000 0.272 235 E C -1.155 175.456 176.600 0.018 0.000 0.890 235 E CA -0.553 55.857 56.400 0.017 0.000 0.770 235 E CB 1.894 31.611 29.700 0.028 0.000 1.212 235 E HN 0.276 nan 8.360 nan 0.000 0.415 236 T N 2.891 117.454 114.554 0.016 0.000 2.940 236 T HA 0.483 4.833 4.350 -0.001 0.000 0.309 236 T C -0.241 174.475 174.700 0.026 0.000 1.056 236 T CA 0.894 63.004 62.100 0.017 0.000 1.137 236 T CB -0.253 68.623 68.868 0.013 0.000 0.976 236 T HN 1.325 nan 8.240 nan 0.000 0.547 237 A N 3.178 126.015 122.820 0.029 0.000 2.435 237 A HA -0.046 4.274 4.320 -0.001 0.000 0.686 237 A C 1.255 178.881 177.584 0.069 0.000 0.138 237 A CA 0.499 52.561 52.037 0.042 0.000 0.024 237 A CB -1.853 17.169 19.000 0.036 0.000 3.974 237 A HN 1.874 nan 8.150 nan 0.000 0.548 238 S N 0.623 116.381 115.700 0.096 0.000 2.489 238 S HA -0.012 4.458 4.470 -0.001 0.000 0.228 238 S C 1.366 176.085 174.600 0.199 0.000 0.995 238 S CA 1.427 59.742 58.200 0.192 0.000 0.934 238 S CB 0.078 63.416 63.200 0.229 0.000 0.771 238 S HN 1.161 nan 8.310 nan 0.000 0.522 239 E N 1.883 122.144 120.200 0.102 0.000 2.046 239 E HA 0.046 4.396 4.350 -0.001 0.000 0.190 239 E C 1.994 178.621 176.600 0.046 0.000 0.982 239 E CA 1.405 57.837 56.400 0.053 0.000 0.800 239 E CB -0.417 29.302 29.700 0.032 0.000 0.756 239 E HN 0.594 nan 8.360 nan 0.000 0.449 240 M N -0.523 119.109 119.600 0.053 0.000 2.200 240 M HA -0.041 4.439 4.480 -0.001 0.000 0.265 240 M C 2.038 178.374 176.300 0.060 0.000 1.066 240 M CA 0.647 55.973 55.300 0.043 0.000 1.127 240 M CB -0.110 32.511 32.600 0.035 0.000 1.379 240 M HN 0.194 nan 8.290 nan 0.000 0.420 241 L N 0.962 122.241 121.223 0.093 0.000 2.093 241 L HA -0.153 4.187 4.340 -0.001 0.000 0.208 241 L C 2.410 179.392 176.870 0.186 0.000 1.085 241 L CA 1.826 56.740 54.840 0.123 0.000 0.755 241 L CB -0.697 41.437 42.059 0.125 0.000 0.904 241 L HN 0.147 nan 8.230 nan 0.000 0.435 242 K N -0.375 120.149 120.400 0.207 0.000 2.057 242 K HA -0.198 4.122 4.320 -0.001 0.000 0.207 242 K C 1.568 178.165 176.600 -0.004 0.000 1.049 242 K CA 1.823 58.139 56.287 0.049 0.000 0.931 242 K CB -0.297 32.078 32.500 -0.207 0.000 0.714 242 K HN 0.374 nan 8.250 nan 0.000 0.440 243 D N 0.616 121.022 120.400 0.009 0.000 2.178 243 D HA -0.111 4.529 4.640 -0.001 0.000 0.202 243 D C 2.013 178.322 176.300 0.015 0.000 0.974 243 D CA 1.025 55.026 54.000 0.001 0.000 0.841 243 D CB -0.083 40.720 40.800 0.005 0.000 0.953 243 D HN 0.290 nan 8.370 nan 0.000 0.478 244 M N -0.132 119.489 119.600 0.034 0.000 2.117 244 M HA -0.127 4.353 4.480 -0.001 0.000 0.262 244 M C 2.251 178.574 176.300 0.037 0.000 1.065 244 M CA 0.865 56.187 55.300 0.036 0.000 1.114 244 M CB -0.042 32.584 32.600 0.044 0.000 1.361 244 M HN -0.115 nan 8.290 nan 0.000 0.408 245 V N 0.202 120.150 119.914 0.056 0.000 2.358 245 V HA -0.208 3.912 4.120 -0.001 0.000 0.246 245 V C 2.579 178.689 176.094 0.026 0.000 1.047 245 V CA 1.903 64.238 62.300 0.058 0.000 1.035 245 V CB -1.127 30.766 31.823 0.117 0.000 0.658 245 V HN 0.511 nan 8.190 nan 0.000 0.452 246 A N -0.083 122.741 122.820 0.006 0.000 1.969 246 A HA -0.227 4.093 4.320 -0.001 0.000 0.218 246 A C 2.175 179.759 177.584 -0.001 0.000 1.169 246 A CA 1.926 53.957 52.037 -0.010 0.000 0.635 246 A CB -0.410 18.574 19.000 -0.027 0.000 0.810 246 A HN 0.551 nan 8.150 nan 0.000 0.445 247 E N 0.283 120.487 120.200 0.006 0.000 2.107 247 E HA -0.082 4.268 4.350 -0.001 0.000 0.191 247 E C 1.654 178.260 176.600 0.011 0.000 0.982 247 E CA 1.154 57.558 56.400 0.008 0.000 0.809 247 E CB -0.357 29.349 29.700 0.011 0.000 0.756 247 E HN 0.644 nan 8.360 nan 0.000 0.459 248 I N 0.245 120.824 120.570 0.014 0.000 2.252 248 I HA -0.223 3.947 4.170 -0.001 0.000 0.245 248 I C 2.270 178.394 176.117 0.011 0.000 1.102 248 I CA 1.138 62.446 61.300 0.014 0.000 1.385 248 I CB -0.239 37.771 38.000 0.016 0.000 1.064 248 I HN 0.061 nan 8.210 nan 0.000 0.414 249 K N 1.795 122.201 120.400 0.009 0.000 2.057 249 K HA -0.134 4.186 4.320 -0.001 0.000 0.207 249 K C 2.035 178.638 176.600 0.005 0.000 1.049 249 K CA 1.729 58.019 56.287 0.006 0.000 0.931 249 K CB -0.391 32.110 32.500 0.002 0.000 0.714 249 K HN 0.269 nan 8.250 nan 0.000 0.440 250 A N 0.279 123.102 122.820 0.004 0.000 1.972 250 A HA -0.165 4.154 4.320 -0.001 0.000 0.219 250 A C 2.140 179.728 177.584 0.007 0.000 1.169 250 A CA 2.136 54.175 52.037 0.004 0.000 0.635 250 A CB -1.014 17.988 19.000 0.003 0.000 0.810 250 A HN 0.567 nan 8.150 nan 0.000 0.446 251 S N -1.669 114.037 115.700 0.009 0.000 2.442 251 S HA 0.239 4.708 4.470 -0.001 0.000 0.236 251 S C 1.646 176.254 174.600 0.013 0.000 1.007 251 S CA 1.453 59.661 58.200 0.012 0.000 0.965 251 S CB -0.559 62.651 63.200 0.016 0.000 0.773 251 S HN 1.987 nan 8.310 nan 0.000 0.504 252 G N 0.656 109.463 108.800 0.011 0.000 2.175 252 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.244 252 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.244 252 G C 0.254 175.162 174.900 0.014 0.000 0.982 252 G CA 0.027 45.134 45.100 0.012 0.000 0.641 252 G HN 1.368 nan 8.290 nan 0.000 0.527 253 A N 0.001 122.830 122.820 0.015 0.000 2.498 253 A HA 0.594 4.914 4.320 -0.001 0.000 0.239 253 A C 1.171 178.760 177.584 0.008 0.000 1.068 253 A CA 0.960 53.008 52.037 0.017 0.000 0.766 253 A CB 0.196 19.207 19.000 0.020 0.000 1.003 253 A HN 0.364 nan 8.150 nan 0.000 0.497 254 N N 0.338 119.042 118.700 0.007 0.000 2.382 254 N HA 0.114 4.853 4.740 -0.001 0.000 0.200 254 N C -0.642 174.851 175.510 -0.027 0.000 1.122 254 N CA 0.492 53.539 53.050 -0.004 0.000 0.870 254 N CB 0.883 39.373 38.487 0.004 0.000 1.176 254 N HN 0.381 nan 8.380 nan 0.000 0.474 255 V N 2.357 122.253 119.914 -0.030 0.000 2.495 255 V HA 0.441 4.560 4.120 -0.001 0.000 0.298 255 V C -0.874 175.148 176.094 -0.119 0.000 1.031 255 V CA -0.825 61.414 62.300 -0.103 0.000 0.871 255 V CB 2.365 34.161 31.823 -0.045 0.000 0.988 255 V HN 0.002 nan 8.190 nan 0.000 0.432 256 L N 5.627 126.703 121.223 -0.245 0.000 2.372 256 L HA 0.670 5.010 4.340 -0.001 0.000 0.274 256 L C -1.326 175.347 176.870 -0.329 0.000 0.988 256 L CA 0.013 54.751 54.840 -0.170 0.000 0.833 256 L CB 1.286 43.292 42.059 -0.089 0.000 1.236 256 L HN 0.472 nan 8.230 nan 0.000 0.410 257 F N 4.946 124.897 119.950 0.002 0.000 2.361 257 F HA 0.419 4.946 4.527 -0.001 0.000 0.364 257 F C 0.256 176.054 175.800 -0.003 0.000 1.117 257 F CA -0.314 57.684 58.000 -0.003 0.000 1.071 257 F CB 1.240 40.238 39.000 -0.004 0.000 1.188 257 F HN 0.489 nan 8.300 nan 0.000 0.464 258 C N 5.166 124.541 119.300 0.125 0.000 2.295 258 C HA 0.220 4.679 4.460 -0.001 0.000 0.331 258 C C 1.680 176.716 174.990 0.077 0.000 1.280 258 C CA -0.463 58.601 59.018 0.076 0.000 1.746 258 C CB 0.638 28.396 27.740 0.029 0.000 2.328 258 C HN 0.938 nan 8.230 nan 0.000 0.521 259 Q N 3.337 123.173 119.800 0.061 0.000 2.084 259 Q HA -0.055 4.285 4.340 -0.001 0.000 0.202 259 Q C 0.851 176.869 176.000 0.029 0.000 0.978 259 Q CA 1.631 57.459 55.803 0.043 0.000 0.844 259 Q CB 0.172 28.927 28.738 0.029 0.000 0.898 259 Q HN 0.760 nan 8.270 nan 0.000 0.426 260 K N -1.146 119.268 120.400 0.023 0.000 2.646 260 K HA 0.421 4.741 4.320 -0.001 0.000 0.270 260 K C 0.393 176.998 176.600 0.009 0.000 1.026 260 K CA -0.191 56.104 56.287 0.013 0.000 1.043 260 K CB 0.063 32.569 32.500 0.009 0.000 1.383 260 K HN 0.105 nan 8.250 nan 0.000 0.513 261 G N 0.279 109.079 108.800 0.000 0.000 2.634 261 G HA2 0.397 4.357 3.960 -0.001 0.000 0.255 261 G HA3 0.397 4.357 3.960 -0.001 0.000 0.255 261 G C -0.498 174.393 174.900 -0.015 0.000 1.205 261 G CA -0.523 44.572 45.100 -0.009 0.000 0.884 261 G HN 0.371 nan 8.290 nan 0.000 0.549 262 I N 0.453 121.006 120.570 -0.028 0.000 2.447 262 I HA 0.161 4.331 4.170 -0.001 0.000 0.287 262 I C -0.516 175.566 176.117 -0.059 0.000 1.023 262 I CA -0.748 60.528 61.300 -0.041 0.000 1.083 262 I CB 2.038 40.009 38.000 -0.049 0.000 1.245 262 I HN 0.414 nan 8.210 nan 0.000 0.434 263 D N 5.366 125.730 120.400 -0.059 0.000 2.414 263 D HA -0.042 4.597 4.640 -0.001 0.000 0.242 263 D C 0.668 176.892 176.300 -0.127 0.000 1.129 263 D CA 0.163 54.118 54.000 -0.074 0.000 0.885 263 D CB 1.314 42.079 40.800 -0.058 0.000 1.198 263 D HN 0.500 nan 8.370 nan 0.000 0.437 264 D N 3.189 123.503 120.400 -0.144 0.000 2.190 264 D HA -0.182 4.457 4.640 -0.001 0.000 0.200 264 D C 1.844 177.927 176.300 -0.362 0.000 0.992 264 D CA 0.554 54.403 54.000 -0.251 0.000 0.854 264 D CB 0.155 40.849 40.800 -0.177 0.000 0.936 264 D HN 0.475 nan 8.370 nan 0.000 0.462 265 L N 0.529 121.632 121.223 -0.201 0.000 2.056 265 L HA -0.157 4.182 4.340 -0.001 0.000 0.207 265 L C 2.328 178.981 176.870 -0.362 0.000 1.078 265 L CA 1.247 55.958 54.840 -0.215 0.000 0.749 265 L CB -0.144 41.818 42.059 -0.162 0.000 0.901 265 L HN -0.046 nan 8.230 nan 0.000 0.433 266 A N -0.847 121.840 122.820 -0.221 0.000 1.969 266 A HA -0.242 4.077 4.320 -0.001 0.000 0.218 266 A C 2.063 179.579 177.584 -0.114 0.000 1.169 266 A CA 1.449 53.411 52.037 -0.125 0.000 0.635 266 A CB -0.408 18.562 19.000 -0.050 0.000 0.810 266 A HN 0.595 nan 8.150 nan 0.000 0.445 267 Q N -1.117 118.563 119.800 -0.199 0.000 2.170 267 Q HA -0.170 4.170 4.340 -0.001 0.000 0.203 267 Q C 1.933 177.841 176.000 -0.154 0.000 0.976 267 Q CA 1.358 57.046 55.803 -0.192 0.000 0.858 267 Q CB -0.252 28.317 28.738 -0.280 0.000 0.907 267 Q HN 0.748 nan 8.270 nan 0.000 0.433 268 H N -0.797 118.207 119.070 -0.110 0.000 2.321 268 H HA -0.123 4.433 4.556 -0.001 0.000 0.300 268 H C 1.744 177.112 175.328 0.068 0.000 1.087 268 H CA 1.261 57.262 56.048 -0.077 0.000 1.319 268 H CB -0.216 29.432 29.762 -0.189 0.000 1.379 268 H HN 0.305 nan 8.280 nan 0.000 0.501 269 Y N 0.657 121.025 120.300 0.113 0.000 2.314 269 Y HA -0.057 4.493 4.550 -0.001 0.000 0.293 269 Y C 2.810 178.726 175.900 0.028 0.000 1.129 269 Y CA 0.110 58.244 58.100 0.057 0.000 1.201 269 Y CB -0.902 37.582 38.460 0.041 0.000 0.999 269 Y HN 0.056 nan 8.280 nan 0.000 0.541 270 L N -0.761 120.562 121.223 0.167 0.000 2.046 270 L HA -0.224 4.116 4.340 -0.001 0.000 0.208 270 L C 2.631 179.534 176.870 0.056 0.000 1.077 270 L CA 1.255 56.140 54.840 0.076 0.000 0.747 270 L CB -0.778 41.293 42.059 0.021 0.000 0.896 270 L HN 0.158 nan 8.230 nan 0.000 0.432 271 A N -0.052 122.807 122.820 0.065 0.000 1.930 271 A HA -0.199 4.121 4.320 -0.001 0.000 0.217 271 A C 2.299 179.923 177.584 0.066 0.000 1.175 271 A CA 1.505 53.576 52.037 0.056 0.000 0.627 271 A CB -0.307 18.733 19.000 0.067 0.000 0.815 271 A HN 0.313 nan 8.150 nan 0.000 0.443 272 K N -0.381 120.079 120.400 0.100 0.000 2.211 272 K HA -0.084 4.235 4.320 -0.001 0.000 0.203 272 K C 1.190 177.817 176.600 0.044 0.000 1.050 272 K CA 1.163 57.498 56.287 0.079 0.000 0.945 272 K CB 0.006 32.572 32.500 0.110 0.000 0.732 272 K HN 0.359 nan 8.250 nan 0.000 0.451 273 E N -0.471 119.756 120.200 0.045 0.000 2.489 273 E HA 0.024 4.373 4.350 -0.001 0.000 0.193 273 E C 0.876 177.485 176.600 0.016 0.000 1.057 273 E CA 0.421 56.834 56.400 0.022 0.000 0.866 273 E CB 0.643 30.357 29.700 0.022 0.000 0.916 273 E HN 0.451 nan 8.360 nan 0.000 0.500 274 G N 1.921 110.732 108.800 0.019 0.000 2.147 274 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.244 274 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.244 274 G C 0.234 175.134 174.900 0.000 0.000 1.005 274 G CA 0.173 45.279 45.100 0.010 0.000 0.713 274 G HN 0.268 nan 8.290 nan 0.000 0.515 275 I N 1.043 121.613 120.570 -0.000 0.000 2.342 275 I HA 0.422 4.592 4.170 -0.001 0.000 0.291 275 I C 1.019 177.114 176.117 -0.036 0.000 1.010 275 I CA -1.088 60.202 61.300 -0.017 0.000 1.308 275 I CB 1.551 39.544 38.000 -0.012 0.000 1.400 275 I HN 0.148 nan 8.210 nan 0.000 0.488 276 V N 3.807 123.685 119.914 -0.061 0.000 2.509 276 V HA 0.912 5.031 4.120 -0.001 0.000 0.284 276 V C 0.063 176.062 176.094 -0.158 0.000 1.047 276 V CA -0.282 61.963 62.300 -0.092 0.000 0.952 276 V CB 1.172 32.942 31.823 -0.089 0.000 0.988 276 V HN 0.820 nan 8.190 nan 0.000 0.469 277 A N 3.620 126.343 122.820 -0.162 0.000 2.515 277 A HA 0.999 5.318 4.320 -0.001 0.000 0.298 277 A C -0.330 177.136 177.584 -0.197 0.000 1.059 277 A CA -0.315 51.600 52.037 -0.202 0.000 0.698 277 A CB 1.878 20.805 19.000 -0.121 0.000 1.289 277 A HN 2.330 nan 8.150 nan 0.000 0.404 278 A N 1.908 124.586 122.820 -0.237 0.000 2.359 278 A HA 0.739 5.058 4.320 -0.001 0.000 0.303 278 A C -0.008 177.562 177.584 -0.023 0.000 1.066 278 A CA -0.649 51.323 52.037 -0.109 0.000 0.730 278 A CB 0.779 19.733 19.000 -0.076 0.000 1.211 278 A HN 1.205 nan 8.150 nan 0.000 0.439 279 R N 1.840 122.336 120.500 -0.007 0.000 2.700 279 R HA 0.718 5.057 4.340 -0.001 0.000 0.253 279 R C -0.362 175.954 176.300 0.027 0.000 1.091 279 R CA -0.782 55.323 56.100 0.009 0.000 1.104 279 R CB 0.405 30.698 30.300 -0.012 0.000 1.202 279 R HN 0.492 nan 8.270 nan 0.000 0.532 280 R N -0.926 119.588 120.500 0.023 0.000 3.516 280 R HA -0.111 4.229 4.340 -0.001 0.000 0.271 280 R C -0.682 175.638 176.300 0.032 0.000 1.098 280 R CA 0.568 56.681 56.100 0.021 0.000 0.732 280 R CB -2.619 27.687 30.300 0.010 0.000 1.152 280 R HN 0.528 nan 8.270 nan 0.000 0.455 281 V N 1.410 121.356 119.914 0.053 0.000 2.572 281 V HA 0.036 4.156 4.120 -0.001 0.000 0.291 281 V C 1.467 177.575 176.094 0.024 0.000 1.039 281 V CA -0.023 62.314 62.300 0.061 0.000 1.055 281 V CB 1.183 33.075 31.823 0.114 0.000 0.969 281 V HN 0.153 nan 8.190 nan 0.000 0.482 282 K N 3.308 123.712 120.400 0.005 0.000 2.382 282 K HA 0.030 4.350 4.320 -0.001 0.000 0.275 282 K C 1.209 177.800 176.600 -0.015 0.000 1.009 282 K CA -0.319 55.963 56.287 -0.008 0.000 0.970 282 K CB 0.549 33.039 32.500 -0.017 0.000 0.934 282 K HN 0.608 nan 8.250 nan 0.000 0.479 283 K N 1.976 122.369 120.400 -0.012 0.000 2.074 283 K HA -0.199 4.121 4.320 -0.001 0.000 0.209 283 K C 1.914 178.499 176.600 -0.026 0.000 1.048 283 K CA 2.229 58.507 56.287 -0.014 0.000 0.926 283 K CB -0.554 31.940 32.500 -0.010 0.000 0.713 283 K HN 0.583 nan 8.250 nan 0.000 0.444 284 S N 0.182 115.864 115.700 -0.029 0.000 2.359 284 S HA -0.171 4.299 4.470 -0.001 0.000 0.224 284 S C 1.401 175.967 174.600 -0.058 0.000 1.035 284 S CA 1.786 59.963 58.200 -0.038 0.000 1.018 284 S CB -0.555 62.625 63.200 -0.034 0.000 0.876 284 S HN 0.424 nan 8.310 nan 0.000 0.448 285 D N 0.913 121.273 120.400 -0.067 0.000 2.144 285 D HA -0.060 4.580 4.640 -0.001 0.000 0.199 285 D C 2.001 178.214 176.300 -0.146 0.000 0.984 285 D CA 0.978 54.912 54.000 -0.111 0.000 0.834 285 D CB -0.273 40.466 40.800 -0.101 0.000 0.955 285 D HN 0.382 nan 8.370 nan 0.000 0.465 286 M N 0.479 120.022 119.600 -0.096 0.000 2.159 286 M HA -0.087 4.393 4.480 -0.001 0.000 0.263 286 M C 1.888 178.140 176.300 -0.080 0.000 1.063 286 M CA 1.201 56.450 55.300 -0.085 0.000 1.110 286 M CB -0.753 31.828 32.600 -0.031 0.000 1.374 286 M HN 0.119 nan 8.290 nan 0.000 0.411 287 E N 0.016 120.177 120.200 -0.065 0.000 2.076 287 E HA -0.122 4.228 4.350 -0.001 0.000 0.190 287 E C 2.064 178.625 176.600 -0.064 0.000 0.979 287 E CA 0.794 57.163 56.400 -0.052 0.000 0.807 287 E CB 0.015 29.692 29.700 -0.038 0.000 0.761 287 E HN 0.494 nan 8.360 nan 0.000 0.454 288 K N 0.680 121.031 120.400 -0.082 0.000 2.097 288 K HA -0.093 4.226 4.320 -0.001 0.000 0.206 288 K C 2.197 178.733 176.600 -0.107 0.000 1.049 288 K CA 0.834 57.069 56.287 -0.086 0.000 0.933 288 K CB -0.084 32.359 32.500 -0.095 0.000 0.717 288 K HN 0.106 nan 8.250 nan 0.000 0.442 289 L N 0.476 121.602 121.223 -0.162 0.000 2.093 289 L HA -0.164 4.175 4.340 -0.001 0.000 0.208 289 L C 2.580 179.385 176.870 -0.108 0.000 1.085 289 L CA 1.033 55.753 54.840 -0.200 0.000 0.755 289 L CB -0.537 41.296 42.059 -0.377 0.000 0.904 289 L HN 0.193 nan 8.230 nan 0.000 0.435 290 A N 0.085 122.858 122.820 -0.078 0.000 1.930 290 A HA -0.198 4.121 4.320 -0.001 0.000 0.217 290 A C 2.321 179.890 177.584 -0.025 0.000 1.175 290 A CA 1.526 53.540 52.037 -0.037 0.000 0.627 290 A CB -0.280 18.703 19.000 -0.028 0.000 0.815 290 A HN 0.306 nan 8.150 nan 0.000 0.443 291 K N -0.314 120.067 120.400 -0.032 0.000 2.026 291 K HA -0.040 4.279 4.320 -0.001 0.000 0.208 291 K C 2.334 178.929 176.600 -0.008 0.000 1.048 291 K CA 1.197 57.473 56.287 -0.019 0.000 0.929 291 K CB -0.283 32.202 32.500 -0.024 0.000 0.713 291 K HN 0.437 nan 8.250 nan 0.000 0.439 292 A N 1.024 123.832 122.820 -0.020 0.000 1.855 292 A HA -0.124 4.195 4.320 -0.001 0.000 0.213 292 A C 2.287 179.877 177.584 0.010 0.000 1.195 292 A CA 2.035 54.068 52.037 -0.007 0.000 0.610 292 A CB -0.942 18.042 19.000 -0.027 0.000 0.837 292 A HN 0.452 nan 8.150 nan 0.000 0.444 293 T N -4.302 110.252 114.554 0.001 0.000 3.043 293 T HA 0.357 4.707 4.350 -0.001 0.000 0.263 293 T C 1.485 176.203 174.700 0.030 0.000 1.094 293 T CA 1.234 63.346 62.100 0.020 0.000 1.127 293 T CB -0.133 68.748 68.868 0.021 0.000 0.905 293 T HN 1.772 nan 8.240 nan 0.000 0.490 294 G N 1.527 110.339 108.800 0.020 0.000 2.143 294 G HA2 -0.052 3.908 3.960 -0.001 0.000 0.248 294 G HA3 -0.052 3.908 3.960 -0.001 0.000 0.248 294 G C 0.282 175.194 174.900 0.020 0.000 0.991 294 G CA 0.035 45.148 45.100 0.022 0.000 0.689 294 G HN 1.208 nan 8.290 nan 0.000 0.522 295 A N -0.327 122.504 122.820 0.018 0.000 2.445 295 A HA 0.561 4.880 4.320 -0.001 0.000 0.242 295 A C 0.458 178.052 177.584 0.017 0.000 1.075 295 A CA 0.550 52.602 52.037 0.025 0.000 0.777 295 A CB 0.378 19.398 19.000 0.034 0.000 1.013 295 A HN 0.817 nan 8.150 nan 0.000 0.493 296 N N 1.658 120.371 118.700 0.021 0.000 2.444 296 N HA 0.358 5.098 4.740 -0.001 0.000 0.262 296 N C -0.874 174.648 175.510 0.020 0.000 0.974 296 N CA -0.356 52.704 53.050 0.016 0.000 0.933 296 N CB 1.158 39.654 38.487 0.015 0.000 1.137 296 N HN 0.288 nan 8.380 nan 0.000 0.498 297 V N 4.912 124.835 119.914 0.014 0.000 2.485 297 V HA 0.141 4.261 4.120 -0.001 0.000 0.287 297 V C 0.400 176.504 176.094 0.017 0.000 1.022 297 V CA -0.064 62.246 62.300 0.017 0.000 1.067 297 V CB -0.124 31.705 31.823 0.009 0.000 0.967 297 V HN 0.516 nan 8.190 nan 0.000 0.479 298 I N 4.133 124.716 120.570 0.022 0.000 2.441 298 I HA 0.438 4.608 4.170 -0.001 0.000 0.295 298 I C 0.986 177.114 176.117 0.018 0.000 0.994 298 I CA -0.338 60.974 61.300 0.019 0.000 1.144 298 I CB 1.314 39.327 38.000 0.021 0.000 1.314 298 I HN 0.635 nan 8.210 nan 0.000 0.445 299 A N 5.621 128.450 122.820 0.014 0.000 1.832 299 A HA 0.355 4.674 4.320 -0.001 0.000 0.214 299 A C 1.079 178.671 177.584 0.014 0.000 1.204 299 A CA 1.095 53.140 52.037 0.013 0.000 0.606 299 A CB -0.175 18.831 19.000 0.010 0.000 0.849 299 A HN 0.733 nan 8.150 nan 0.000 0.445 300 A N -1.022 121.805 122.820 0.013 0.000 2.317 300 A HA 0.645 4.965 4.320 -0.001 0.000 0.327 300 A C 0.737 178.329 177.584 0.014 0.000 1.178 300 A CA -0.593 51.451 52.037 0.013 0.000 0.817 300 A CB 0.403 19.409 19.000 0.011 0.000 1.189 300 A HN 0.364 nan 8.150 nan 0.000 0.489 301 I N 1.821 122.400 120.570 0.015 0.000 2.335 301 I HA -0.331 3.838 4.170 -0.001 0.000 0.251 301 I C 2.755 178.881 176.117 0.014 0.000 1.129 301 I CA 1.636 62.946 61.300 0.016 0.000 1.402 301 I CB -0.246 37.764 38.000 0.016 0.000 1.069 301 I HN 0.779 nan 8.210 nan 0.000 0.424 302 A N 0.819 123.646 122.820 0.012 0.000 1.917 302 A HA -0.233 4.087 4.320 -0.001 0.000 0.219 302 A C 2.505 180.095 177.584 0.010 0.000 1.182 302 A CA 2.091 54.134 52.037 0.010 0.000 0.633 302 A CB -0.745 18.260 19.000 0.009 0.000 0.819 302 A HN 0.460 nan 8.150 nan 0.000 0.448 303 A N -1.298 121.529 122.820 0.011 0.000 2.067 303 A HA 0.291 4.611 4.320 -0.001 0.000 0.217 303 A C 1.023 178.615 177.584 0.012 0.000 1.156 303 A CA 0.473 52.516 52.037 0.011 0.000 0.683 303 A CB -0.451 18.555 19.000 0.010 0.000 0.808 303 A HN 0.598 nan 8.150 nan 0.000 0.455 304 L N 1.818 123.050 121.223 0.014 0.000 2.477 304 L HA 0.361 4.700 4.340 -0.001 0.000 0.272 304 L C 0.379 177.257 176.870 0.015 0.000 1.157 304 L CA 0.502 55.351 54.840 0.016 0.000 0.889 304 L CB 0.388 42.459 42.059 0.019 0.000 1.158 304 L HN 0.343 nan 8.230 nan 0.000 0.473 305 S N 3.376 119.085 115.700 0.015 0.000 2.704 305 S HA 0.781 5.250 4.470 -0.001 0.000 0.296 305 S C 0.837 175.446 174.600 0.016 0.000 1.138 305 S CA -0.349 57.859 58.200 0.014 0.000 0.875 305 S CB 1.278 64.485 63.200 0.012 0.000 1.151 305 S HN 0.811 nan 8.310 nan 0.000 0.500 306 A N 0.374 123.203 122.820 0.015 0.000 2.024 306 A HA -0.082 4.237 4.320 -0.001 0.000 0.220 306 A C 2.021 179.616 177.584 0.018 0.000 1.164 306 A CA 1.529 53.576 52.037 0.016 0.000 0.643 306 A CB -1.060 17.949 19.000 0.014 0.000 0.806 306 A HN 0.857 nan 8.150 nan 0.000 0.451 307 Q N -0.521 119.289 119.800 0.016 0.000 2.436 307 Q HA -0.100 4.240 4.340 -0.001 0.000 0.209 307 Q C 0.546 176.557 176.000 0.018 0.000 0.965 307 Q CA 0.981 56.793 55.803 0.016 0.000 0.910 307 Q CB 0.012 28.757 28.738 0.013 0.000 0.980 307 Q HN 0.612 nan 8.270 nan 0.000 0.491 308 D N -0.204 120.208 120.400 0.020 0.000 2.350 308 D HA 0.015 4.655 4.640 -0.001 0.000 0.213 308 D C -0.148 176.169 176.300 0.028 0.000 1.031 308 D CA 0.221 54.234 54.000 0.022 0.000 0.861 308 D CB 0.375 41.188 40.800 0.021 0.000 0.926 308 D HN 0.096 nan 8.370 nan 0.000 0.520 309 L N 0.966 122.207 121.223 0.031 0.000 2.380 309 L HA 0.325 4.665 4.340 -0.001 0.000 0.273 309 L C 1.284 178.178 176.870 0.040 0.000 1.138 309 L CA -0.032 54.831 54.840 0.039 0.000 0.832 309 L CB 1.016 43.097 42.059 0.036 0.000 1.124 309 L HN -0.174 nan 8.230 nan 0.000 0.454 310 G N 1.182 110.011 108.800 0.048 0.000 2.488 310 G HA2 0.535 4.494 3.960 -0.001 0.000 0.318 310 G HA3 0.535 4.494 3.960 -0.001 0.000 0.318 310 G C -1.111 173.820 174.900 0.051 0.000 1.188 310 G CA -0.460 44.667 45.100 0.046 0.000 0.944 310 G HN 0.529 nan 8.290 nan 0.000 0.495 311 D N -0.394 120.034 120.400 0.047 0.000 2.350 311 D HA 0.661 5.301 4.640 -0.001 0.000 0.245 311 D C -0.250 176.076 176.300 0.044 0.000 1.036 311 D CA 0.066 54.093 54.000 0.045 0.000 0.848 311 D CB 1.971 42.794 40.800 0.039 0.000 1.307 311 D HN 0.592 nan 8.370 nan 0.000 0.469 312 A N 0.303 123.151 122.820 0.046 0.000 2.488 312 A HA 0.623 4.942 4.320 -0.001 0.000 0.298 312 A C 0.961 178.567 177.584 0.037 0.000 1.044 312 A CA -0.413 51.651 52.037 0.045 0.000 0.693 312 A CB 1.614 20.655 19.000 0.069 0.000 1.272 312 A HN 0.487 nan 8.150 nan 0.000 0.402 313 G N 0.326 109.141 108.800 0.025 0.000 2.408 313 G HA2 0.300 4.260 3.960 -0.001 0.000 0.217 313 G HA3 0.300 4.260 3.960 -0.001 0.000 0.217 313 G C 0.284 175.199 174.900 0.026 0.000 1.150 313 G CA 1.652 46.763 45.100 0.018 0.000 0.776 313 G HN 1.221 nan 8.290 nan 0.000 0.542 314 L N 0.120 121.366 121.223 0.039 0.000 2.562 314 L HA 0.583 4.923 4.340 -0.001 0.000 0.266 314 L C -1.332 175.584 176.870 0.077 0.000 0.949 314 L CA -0.733 54.136 54.840 0.047 0.000 0.879 314 L CB 2.419 44.498 42.059 0.033 0.000 1.278 314 L HN -0.148 nan 8.230 nan 0.000 0.404 315 V N 4.494 124.459 119.914 0.084 0.000 2.334 315 V HA 0.625 4.745 4.120 -0.001 0.000 0.281 315 V C -0.364 175.792 176.094 0.103 0.000 1.016 315 V CA -0.425 61.947 62.300 0.121 0.000 0.832 315 V CB 1.389 33.294 31.823 0.136 0.000 0.999 315 V HN 0.823 nan 8.190 nan 0.000 0.439 316 E N 3.269 123.551 120.200 0.138 0.000 2.292 316 E HA 0.389 4.739 4.350 -0.001 0.000 0.272 316 E C -0.880 175.820 176.600 0.167 0.000 0.881 316 E CA -0.681 55.784 56.400 0.108 0.000 0.754 316 E CB 2.066 31.800 29.700 0.057 0.000 1.201 316 E HN 0.742 nan 8.360 nan 0.000 0.425 317 E N 4.421 124.689 120.200 0.114 0.000 2.129 317 E HA 0.200 4.550 4.350 -0.001 0.000 0.283 317 E C -0.866 175.800 176.600 0.110 0.000 1.080 317 E CA -0.159 56.317 56.400 0.128 0.000 0.867 317 E CB 0.602 30.345 29.700 0.072 0.000 1.056 317 E HN 0.346 nan 8.360 nan 0.000 0.404 318 R N 3.597 124.207 120.500 0.183 0.000 2.750 318 R HA 0.412 4.752 4.340 -0.001 0.000 0.281 318 R C -0.683 175.707 176.300 0.149 0.000 0.972 318 R CA -0.924 55.229 56.100 0.088 0.000 0.912 318 R CB 1.968 32.186 30.300 -0.136 0.000 1.187 318 R HN 0.329 nan 8.270 nan 0.000 0.464 319 K N 1.973 122.416 120.400 0.072 0.000 2.159 319 K HA 0.459 4.778 4.320 -0.001 0.000 0.266 319 K C -0.756 175.888 176.600 0.073 0.000 0.975 319 K CA -0.458 55.873 56.287 0.074 0.000 0.865 319 K CB 1.737 34.260 32.500 0.039 0.000 1.087 319 K HN 0.435 nan 8.250 nan 0.000 0.446 320 I N 1.412 122.037 120.570 0.091 0.000 2.468 320 I HA 0.057 4.226 4.170 -0.001 0.000 0.285 320 I C -0.635 175.513 176.117 0.051 0.000 1.039 320 I CA -0.018 61.331 61.300 0.080 0.000 1.074 320 I CB 1.324 39.403 38.000 0.132 0.000 1.228 320 I HN 0.700 nan 8.210 nan 0.000 0.436 321 S N 4.743 120.463 115.700 0.033 0.000 3.587 321 S HA -0.198 4.272 4.470 -0.001 0.000 0.337 321 S C 1.070 175.681 174.600 0.019 0.000 1.119 321 S CA 1.182 59.395 58.200 0.021 0.000 0.976 321 S CB -1.612 61.599 63.200 0.018 0.000 0.922 321 S HN 1.595 nan 8.310 nan 0.000 0.503 322 G N 0.089 108.902 108.800 0.022 0.000 2.284 322 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.230 322 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.230 322 G C -0.417 174.499 174.900 0.026 0.000 1.021 322 G CA 0.123 45.235 45.100 0.020 0.000 0.619 322 G HN 0.596 nan 8.290 nan 0.000 0.510 323 D N 1.261 121.680 120.400 0.031 0.000 2.308 323 D HA 0.471 5.111 4.640 -0.001 0.000 0.251 323 D C 0.302 176.635 176.300 0.054 0.000 1.127 323 D CA 0.496 54.517 54.000 0.034 0.000 0.876 323 D CB 1.614 42.429 40.800 0.025 0.000 1.176 323 D HN 0.197 nan 8.370 nan 0.000 0.446 324 S N 2.909 118.638 115.700 0.048 0.000 2.481 324 S HA 0.399 4.869 4.470 -0.001 0.000 0.276 324 S C -0.229 174.413 174.600 0.070 0.000 1.247 324 S CA -0.401 57.839 58.200 0.067 0.000 1.053 324 S CB 0.035 63.264 63.200 0.047 0.000 0.925 324 S HN 0.313 nan 8.310 nan 0.000 0.491 325 M N 4.475 124.145 119.600 0.117 0.000 2.619 325 M HA 0.532 5.012 4.480 -0.001 0.000 0.297 325 M C -1.069 175.305 176.300 0.123 0.000 1.229 325 M CA -0.638 54.700 55.300 0.062 0.000 0.860 325 M CB 2.152 34.737 32.600 -0.026 0.000 1.741 325 M HN 0.438 nan 8.290 nan 0.000 0.462 326 I N 1.686 122.269 120.570 0.021 0.000 2.339 326 I HA 0.362 4.532 4.170 -0.001 0.000 0.290 326 I C -1.346 174.753 176.117 -0.030 0.000 0.994 326 I CA -0.368 61.002 61.300 0.116 0.000 1.191 326 I CB 0.931 39.033 38.000 0.169 0.000 1.343 326 I HN 0.437 nan 8.210 nan 0.000 0.458 327 F N 5.971 125.957 119.950 0.061 0.000 2.385 327 F HA 0.379 4.906 4.527 -0.001 0.000 0.360 327 F C 0.092 175.926 175.800 0.056 0.000 1.122 327 F CA -0.771 57.255 58.000 0.044 0.000 1.090 327 F CB 1.361 40.378 39.000 0.027 0.000 1.150 327 F HN 0.016 nan 8.300 nan 0.000 0.472 328 V N 4.423 124.431 119.914 0.157 0.000 2.311 328 V HA 0.398 4.518 4.120 -0.001 0.000 0.275 328 V C -0.299 175.851 176.094 0.094 0.000 1.022 328 V CA -0.534 61.837 62.300 0.117 0.000 0.830 328 V CB 0.568 32.425 31.823 0.057 0.000 1.012 328 V HN 0.838 nan 8.190 nan 0.000 0.452 329 E N 3.140 123.398 120.200 0.097 0.000 2.446 329 E HA 0.622 4.971 4.350 -0.001 0.000 0.276 329 E C -0.669 175.958 176.600 0.044 0.000 0.969 329 E CA -0.877 55.566 56.400 0.072 0.000 0.800 329 E CB 1.681 31.436 29.700 0.091 0.000 1.341 329 E HN 0.220 nan 8.360 nan 0.000 0.460 330 E N -1.201 119.013 120.200 0.023 0.000 3.181 330 E HA -0.156 4.193 4.350 -0.001 0.000 0.293 330 E C -0.552 176.042 176.600 -0.009 0.000 0.936 330 E CA 0.748 57.150 56.400 0.002 0.000 0.975 330 E CB -2.397 27.306 29.700 0.006 0.000 1.496 330 E HN 0.593 nan 8.360 nan 0.000 0.429 331 C N 0.967 120.264 119.300 -0.005 0.000 2.689 331 C HA 0.068 4.527 4.460 -0.001 0.000 0.409 331 C C 2.304 177.257 174.990 -0.061 0.000 1.293 331 C CA -0.027 58.985 59.018 -0.011 0.000 2.136 331 C CB 0.419 28.162 27.740 0.005 0.000 2.719 331 C HN 0.355 nan 8.230 nan 0.000 0.644 332 K N 0.416 120.773 120.400 -0.072 0.000 2.001 332 K HA -0.132 4.187 4.320 -0.001 0.000 0.214 332 K C 0.063 176.374 176.600 -0.481 0.000 1.050 332 K CA 1.783 57.937 56.287 -0.221 0.000 0.934 332 K CB -0.136 32.325 32.500 -0.064 0.000 0.718 332 K HN 0.732 nan 8.250 nan 0.000 0.443 333 H N -0.407 118.667 119.070 0.007 0.000 2.488 333 H HA 0.201 4.757 4.556 -0.001 0.000 0.237 333 H C -2.592 172.737 175.328 0.002 0.000 1.395 333 H CA -1.750 54.300 56.048 0.005 0.000 1.491 333 H CB 0.700 30.464 29.762 0.003 0.000 1.567 333 H HN 0.120 nan 8.280 nan 0.000 0.508 334 P HA 0.063 nan 4.420 nan 0.000 0.271 334 P C 0.147 177.471 177.300 0.040 0.000 1.220 334 P CA -0.519 62.604 63.100 0.037 0.000 0.768 334 P CB 1.570 33.279 31.700 0.015 0.000 0.848 335 K N 1.051 121.467 120.400 0.027 0.000 2.399 335 K HA 0.459 4.779 4.320 -0.001 0.000 0.204 335 K C 0.371 176.973 176.600 0.004 0.000 1.023 335 K CA -0.292 56.006 56.287 0.019 0.000 1.127 335 K CB 0.493 33.002 32.500 0.015 0.000 0.856 335 K HN 0.543 nan 8.250 nan 0.000 0.514 336 A N 0.513 123.332 122.820 -0.002 0.000 2.486 336 A HA 0.662 4.981 4.320 -0.001 0.000 0.300 336 A C -0.597 176.981 177.584 -0.010 0.000 1.048 336 A CA -0.726 51.304 52.037 -0.012 0.000 0.696 336 A CB 1.474 20.457 19.000 -0.027 0.000 1.278 336 A HN -0.040 nan 8.150 nan 0.000 0.405 337 V N -1.087 118.821 119.914 -0.010 0.000 3.074 337 V HA 0.966 5.086 4.120 -0.001 0.000 0.314 337 V C -0.434 175.652 176.094 -0.014 0.000 1.117 337 V CA -0.579 61.718 62.300 -0.006 0.000 1.014 337 V CB 1.714 33.539 31.823 0.003 0.000 1.057 337 V HN 0.853 nan 8.190 nan 0.000 0.438 338 T N 4.093 118.641 114.554 -0.010 0.000 2.841 338 T HA 0.513 4.862 4.350 -0.001 0.000 0.285 338 T C -0.516 174.182 174.700 -0.003 0.000 0.991 338 T CA -0.212 61.876 62.100 -0.021 0.000 0.966 338 T CB 1.346 70.184 68.868 -0.049 0.000 0.962 338 T HN 0.957 nan 8.240 nan 0.000 0.438 339 M N 4.895 124.491 119.600 -0.006 0.000 2.063 339 M HA 0.477 4.956 4.480 -0.001 0.000 0.348 339 M C -1.153 175.149 176.300 0.003 0.000 1.180 339 M CA -0.708 54.594 55.300 0.004 0.000 1.059 339 M CB 0.273 32.875 32.600 0.002 0.000 1.544 339 M HN 0.532 nan 8.290 nan 0.000 0.447 340 L N 7.305 128.540 121.223 0.019 0.000 2.259 340 L HA 0.467 4.806 4.340 -0.001 0.000 0.288 340 L C -1.042 175.843 176.870 0.025 0.000 1.051 340 L CA -0.410 54.445 54.840 0.025 0.000 0.824 340 L CB 0.442 42.540 42.059 0.064 0.000 1.206 340 L HN 0.754 nan 8.230 nan 0.000 0.429 341 I N 5.534 126.113 120.570 0.014 0.000 2.325 341 I HA 0.319 4.488 4.170 -0.001 0.000 0.291 341 I C 0.226 176.352 176.117 0.014 0.000 1.019 341 I CA -0.305 61.002 61.300 0.013 0.000 1.302 341 I CB 0.862 38.867 38.000 0.007 0.000 1.401 341 I HN 0.578 nan 8.210 nan 0.000 0.485 342 R N 4.029 124.539 120.500 0.016 0.000 2.828 342 R HA 0.898 5.237 4.340 -0.001 0.000 0.264 342 R C -0.239 176.068 176.300 0.012 0.000 1.022 342 R CA -0.975 55.135 56.100 0.016 0.000 1.021 342 R CB 2.156 32.468 30.300 0.020 0.000 1.163 342 R HN 0.831 nan 8.270 nan 0.000 0.494 343 G N -0.906 107.900 108.800 0.010 0.000 2.340 343 G HA2 -0.001 3.958 3.960 -0.001 0.000 0.298 343 G HA3 -0.001 3.958 3.960 -0.001 0.000 0.298 343 G C -0.090 174.815 174.900 0.007 0.000 1.498 343 G CA -0.479 44.627 45.100 0.010 0.000 0.847 343 G HN 0.413 nan 8.290 nan 0.000 0.594 344 T N -0.668 113.892 114.554 0.010 0.000 2.995 344 T HA 0.278 4.628 4.350 -0.001 0.000 0.269 344 T C 0.783 175.487 174.700 0.006 0.000 1.091 344 T CA 2.171 64.276 62.100 0.009 0.000 1.128 344 T CB -0.219 68.657 68.868 0.013 0.000 0.891 344 T HN 0.701 nan 8.240 nan 0.000 0.492 345 T N 1.031 115.588 114.554 0.006 0.000 2.956 345 T HA 0.272 4.622 4.350 -0.001 0.000 0.312 345 T C 0.276 174.960 174.700 -0.026 0.000 1.151 345 T CA -0.776 61.321 62.100 -0.004 0.000 1.024 345 T CB 2.165 71.050 68.868 0.029 0.000 1.140 345 T HN -0.108 nan 8.240 nan 0.000 0.473 346 E N 1.015 121.159 120.200 -0.093 0.000 2.070 346 E HA -0.198 4.152 4.350 -0.001 0.000 0.197 346 E C 1.667 178.193 176.600 -0.125 0.000 1.004 346 E CA 1.673 57.983 56.400 -0.151 0.000 0.805 346 E CB -0.071 29.469 29.700 -0.266 0.000 0.744 346 E HN 0.560 nan 8.360 nan 0.000 0.451 347 H N -0.239 118.834 119.070 0.005 0.000 2.491 347 H HA -0.010 4.546 4.556 -0.001 0.000 0.290 347 H C 2.265 177.596 175.328 0.005 0.000 1.050 347 H CA 0.615 56.665 56.048 0.004 0.000 1.309 347 H CB -0.040 29.724 29.762 0.004 0.000 1.392 347 H HN -0.009 nan 8.280 nan 0.000 0.554 348 V N 1.895 121.875 119.914 0.109 0.000 2.323 348 V HA -0.181 3.938 4.120 -0.001 0.000 0.244 348 V C 2.582 178.702 176.094 0.044 0.000 1.041 348 V CA 1.603 63.942 62.300 0.065 0.000 1.025 348 V CB -0.455 31.396 31.823 0.046 0.000 0.656 348 V HN 0.413 nan 8.190 nan 0.000 0.451 349 I N -1.904 118.683 120.570 0.028 0.000 3.111 349 I HA -0.035 4.135 4.170 -0.001 0.000 0.272 349 I C 2.061 178.189 176.117 0.019 0.000 1.268 349 I CA 1.217 62.527 61.300 0.017 0.000 1.467 349 I CB -0.557 37.446 38.000 0.004 0.000 1.087 349 I HN 0.280 nan 8.210 nan 0.000 0.467 350 E N 1.532 121.751 120.200 0.032 0.000 2.106 350 E HA -0.162 4.188 4.350 -0.001 0.000 0.192 350 E C 1.960 178.583 176.600 0.039 0.000 0.984 350 E CA 1.113 57.538 56.400 0.042 0.000 0.806 350 E CB 0.041 29.790 29.700 0.082 0.000 0.750 350 E HN 0.537 nan 8.360 nan 0.000 0.458 351 E N 0.329 120.555 120.200 0.043 0.000 2.107 351 E HA -0.098 4.251 4.350 -0.001 0.000 0.191 351 E C 2.315 178.930 176.600 0.025 0.000 0.982 351 E CA 0.551 56.971 56.400 0.032 0.000 0.809 351 E CB -0.041 29.680 29.700 0.034 0.000 0.756 351 E HN 0.126 nan 8.360 nan 0.000 0.459 352 V N 1.839 121.767 119.914 0.024 0.000 2.358 352 V HA -0.235 3.885 4.120 -0.001 0.000 0.246 352 V C 2.498 178.601 176.094 0.014 0.000 1.047 352 V CA 1.723 64.034 62.300 0.018 0.000 1.035 352 V CB -0.884 30.949 31.823 0.017 0.000 0.658 352 V HN 0.223 nan 8.190 nan 0.000 0.452 353 A N 0.442 123.270 122.820 0.013 0.000 1.892 353 A HA -0.306 4.014 4.320 -0.001 0.000 0.218 353 A C 2.318 179.907 177.584 0.009 0.000 1.188 353 A CA 2.477 54.520 52.037 0.009 0.000 0.631 353 A CB -0.549 18.455 19.000 0.007 0.000 0.822 353 A HN 0.467 nan 8.150 nan 0.000 0.447 354 R N -0.069 120.438 120.500 0.012 0.000 2.092 354 R HA 0.069 4.409 4.340 -0.001 0.000 0.231 354 R C 2.160 178.467 176.300 0.011 0.000 1.119 354 R CA 1.759 57.865 56.100 0.011 0.000 0.970 354 R CB -0.882 29.426 30.300 0.012 0.000 0.864 354 R HN 0.390 nan 8.270 nan 0.000 0.440 355 A N 0.143 122.971 122.820 0.013 0.000 1.908 355 A HA -0.130 4.190 4.320 -0.001 0.000 0.218 355 A C 2.161 179.752 177.584 0.012 0.000 1.181 355 A CA 1.970 54.015 52.037 0.014 0.000 0.627 355 A CB -0.851 18.159 19.000 0.017 0.000 0.818 355 A HN 0.314 nan 8.150 nan 0.000 0.445 356 V N -2.279 117.641 119.914 0.010 0.000 2.951 356 V HA -0.046 4.074 4.120 -0.001 0.000 0.255 356 V C 1.775 177.873 176.094 0.006 0.000 1.088 356 V CA 2.140 64.445 62.300 0.008 0.000 1.109 356 V CB -0.665 31.162 31.823 0.007 0.000 0.724 356 V HN 0.452 nan 8.190 nan 0.000 0.471 357 D N 1.152 121.555 120.400 0.005 0.000 2.178 357 D HA -0.189 4.450 4.640 -0.001 0.000 0.201 357 D C 1.682 177.985 176.300 0.004 0.000 0.980 357 D CA 1.774 55.776 54.000 0.004 0.000 0.842 357 D CB -0.043 40.759 40.800 0.003 0.000 0.948 357 D HN 0.514 nan 8.370 nan 0.000 0.472 358 D N -0.512 119.892 120.400 0.006 0.000 2.149 358 D HA 0.034 4.674 4.640 -0.001 0.000 0.206 358 D C 2.042 178.347 176.300 0.007 0.000 0.967 358 D CA 1.254 55.258 54.000 0.007 0.000 0.848 358 D CB -0.612 40.193 40.800 0.009 0.000 0.998 358 D HN 0.253 nan 8.370 nan 0.000 0.474 359 A N 0.848 123.673 122.820 0.008 0.000 1.908 359 A HA -0.156 4.163 4.320 -0.001 0.000 0.218 359 A C 2.368 179.955 177.584 0.006 0.000 1.181 359 A CA 1.425 53.467 52.037 0.008 0.000 0.627 359 A CB -0.923 18.082 19.000 0.008 0.000 0.818 359 A HN 0.188 nan 8.150 nan 0.000 0.445 360 V N -0.155 119.762 119.914 0.005 0.000 2.759 360 V HA -0.072 4.047 4.120 -0.001 0.000 0.256 360 V C 2.258 178.354 176.094 0.004 0.000 1.080 360 V CA 2.111 64.413 62.300 0.004 0.000 1.101 360 V CB -0.614 31.211 31.823 0.003 0.000 0.698 360 V HN 0.569 nan 8.190 nan 0.000 0.477 361 G N -0.240 108.562 108.800 0.004 0.000 2.395 361 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.214 361 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.214 361 G C 1.616 176.519 174.900 0.005 0.000 1.177 361 G CA 1.218 46.321 45.100 0.004 0.000 0.794 361 G HN 0.660 nan 8.290 nan 0.000 0.532 362 V N -1.075 118.842 119.914 0.006 0.000 2.871 362 V HA 0.002 4.122 4.120 -0.001 0.000 0.256 362 V C 2.574 178.672 176.094 0.006 0.000 1.082 362 V CA 1.197 63.501 62.300 0.007 0.000 1.105 362 V CB -0.362 31.466 31.823 0.008 0.000 0.713 362 V HN 0.114 nan 8.190 nan 0.000 0.473 363 V N 2.013 121.930 119.914 0.006 0.000 2.379 363 V HA -0.005 4.114 4.120 -0.001 0.000 0.245 363 V C 2.920 179.017 176.094 0.005 0.000 1.044 363 V CA 2.125 64.428 62.300 0.005 0.000 1.036 363 V CB -1.318 30.508 31.823 0.004 0.000 0.664 363 V HN 0.605 nan 8.190 nan 0.000 0.453 364 G N -1.367 107.436 108.800 0.005 0.000 2.418 364 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.217 364 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.217 364 G C 1.887 176.790 174.900 0.005 0.000 1.158 364 G CA 1.200 46.303 45.100 0.004 0.000 0.771 364 G HN 0.529 nan 8.290 nan 0.000 0.545 365 C N 0.533 119.836 119.300 0.005 0.000 2.429 365 C HA -0.021 4.438 4.460 -0.001 0.000 0.277 365 C C 3.150 178.144 174.990 0.007 0.000 1.262 365 C CA 2.001 61.022 59.018 0.006 0.000 1.733 365 C CB -1.051 26.693 27.740 0.007 0.000 2.010 365 C HN 0.400 nan 8.230 nan 0.000 0.483 366 T N 1.017 115.575 114.554 0.007 0.000 2.833 366 T HA -0.088 4.261 4.350 -0.001 0.000 0.269 366 T C 1.570 176.273 174.700 0.006 0.000 1.054 366 T CA 1.813 63.917 62.100 0.007 0.000 1.135 366 T CB -0.247 68.625 68.868 0.006 0.000 0.869 366 T HN 0.590 nan 8.240 nan 0.000 0.466 367 I N 0.632 121.205 120.570 0.005 0.000 2.286 367 I HA -0.074 4.096 4.170 -0.001 0.000 0.245 367 I C 2.538 178.658 176.117 0.005 0.000 1.104 367 I CA 1.202 62.505 61.300 0.005 0.000 1.397 367 I CB -0.254 37.749 38.000 0.005 0.000 1.072 367 I HN 0.261 nan 8.210 nan 0.000 0.417 368 E N 0.163 120.366 120.200 0.005 0.000 2.152 368 E HA -0.081 4.268 4.350 -0.001 0.000 0.192 368 E C -0.114 176.490 176.600 0.006 0.000 0.983 368 E CA 0.700 57.103 56.400 0.005 0.000 0.818 368 E CB 0.220 29.924 29.700 0.005 0.000 0.758 368 E HN 0.375 nan 8.360 nan 0.000 0.467 369 D N -0.534 119.870 120.400 0.007 0.000 2.505 369 D HA 0.139 4.779 4.640 -0.001 0.000 0.250 369 D C -0.061 176.244 176.300 0.008 0.000 1.164 369 D CA -0.165 53.840 54.000 0.008 0.000 0.870 369 D CB 1.720 42.525 40.800 0.009 0.000 1.160 369 D HN 0.085 nan 8.370 nan 0.000 0.549 370 G N 2.060 110.865 108.800 0.008 0.000 3.279 370 G HA2 0.005 3.964 3.960 -0.001 0.000 0.230 370 G HA3 0.005 3.964 3.960 -0.001 0.000 0.230 370 G C 0.616 175.521 174.900 0.009 0.000 1.230 370 G CA -0.095 45.010 45.100 0.007 0.000 0.891 370 G HN 0.096 nan 8.290 nan 0.000 0.518 371 R N -0.069 120.437 120.500 0.010 0.000 2.437 371 R HA 0.608 4.948 4.340 -0.001 0.000 0.310 371 R C -0.477 175.830 176.300 0.012 0.000 0.955 371 R CA -0.574 55.533 56.100 0.012 0.000 0.851 371 R CB 1.520 31.828 30.300 0.013 0.000 1.161 371 R HN 0.304 nan 8.270 nan 0.000 0.446 372 I N -0.195 120.382 120.570 0.013 0.000 3.042 372 I HA 0.843 5.012 4.170 -0.001 0.000 0.310 372 I C -0.546 175.580 176.117 0.016 0.000 1.117 372 I CA -1.245 60.063 61.300 0.013 0.000 1.003 372 I CB 2.160 40.167 38.000 0.011 0.000 1.228 372 I HN 0.315 nan 8.210 nan 0.000 0.443 373 V N 0.141 120.065 119.914 0.017 0.000 3.130 373 V HA 0.840 4.959 4.120 -0.001 0.000 0.310 373 V C 0.072 176.179 176.094 0.023 0.000 1.158 373 V CA -0.405 61.908 62.300 0.021 0.000 1.029 373 V CB 1.162 32.999 31.823 0.024 0.000 1.057 373 V HN 1.156 nan 8.190 nan 0.000 0.436 374 S N 1.512 117.229 115.700 0.028 0.000 2.576 374 S HA 0.701 5.170 4.470 -0.001 0.000 0.276 374 S C 0.487 175.106 174.600 0.031 0.000 1.339 374 S CA 0.153 58.372 58.200 0.030 0.000 1.039 374 S CB 0.898 64.120 63.200 0.037 0.000 0.902 374 S HN 1.802 nan 8.310 nan 0.000 0.516 375 G N 0.070 108.888 108.800 0.031 0.000 2.641 375 G HA2 0.556 4.516 3.960 -0.001 0.000 0.239 375 G HA3 0.556 4.516 3.960 -0.001 0.000 0.239 375 G C 0.893 175.812 174.900 0.031 0.000 1.402 375 G CA -0.563 44.554 45.100 0.029 0.000 1.046 375 G HN 2.025 nan 8.290 nan 0.000 0.565 376 G N -2.224 106.594 108.800 0.029 0.000 2.155 376 G HA2 0.237 4.196 3.960 -0.001 0.000 0.257 376 G HA3 0.237 4.196 3.960 -0.001 0.000 0.257 376 G C 1.460 176.361 174.900 0.003 0.000 0.983 376 G CA 1.159 46.274 45.100 0.025 0.000 0.676 376 G HN 2.515 nan 8.290 nan 0.000 0.528 377 G N -1.294 107.500 108.800 -0.009 0.000 2.157 377 G HA2 -0.083 3.876 3.960 -0.001 0.000 0.248 377 G HA3 -0.083 3.876 3.960 -0.001 0.000 0.248 377 G C 1.417 176.287 174.900 -0.049 0.000 0.979 377 G CA 1.654 46.732 45.100 -0.036 0.000 0.650 377 G HN 1.938 nan 8.290 nan 0.000 0.529 378 S N 0.056 115.752 115.700 -0.007 0.000 2.368 378 S HA -0.162 4.308 4.470 -0.001 0.000 0.225 378 S C 2.799 177.390 174.600 -0.015 0.000 1.030 378 S CA 2.800 61.015 58.200 0.026 0.000 0.999 378 S CB -0.527 62.740 63.200 0.112 0.000 0.844 378 S HN 1.409 nan 8.310 nan 0.000 0.459 379 T N -0.395 114.159 114.554 0.001 0.000 2.701 379 T HA -0.046 4.303 4.350 -0.001 0.000 0.263 379 T C 1.564 176.230 174.700 -0.058 0.000 1.040 379 T CA 1.540 63.639 62.100 -0.001 0.000 1.147 379 T CB -0.873 67.999 68.868 0.008 0.000 0.865 379 T HN 0.405 nan 8.240 nan 0.000 0.426 380 E N 1.054 121.208 120.200 -0.076 0.000 2.130 380 E HA -0.077 4.273 4.350 -0.001 0.000 0.196 380 E C 2.289 178.797 176.600 -0.153 0.000 0.998 380 E CA 1.079 57.416 56.400 -0.105 0.000 0.806 380 E CB -0.767 28.872 29.700 -0.101 0.000 0.738 380 E HN 0.434 nan 8.360 nan 0.000 0.459 381 V N 0.437 120.213 119.914 -0.230 0.000 2.323 381 V HA -0.221 3.898 4.120 -0.001 0.000 0.244 381 V C 2.286 178.140 176.094 -0.399 0.000 1.041 381 V CA 1.842 63.926 62.300 -0.360 0.000 1.025 381 V CB -0.436 31.053 31.823 -0.555 0.000 0.656 381 V HN 0.212 nan 8.190 nan 0.000 0.451 382 E N 0.618 120.577 120.200 -0.401 0.000 2.097 382 E HA -0.232 4.118 4.350 -0.001 0.000 0.196 382 E C 2.033 178.599 176.600 -0.057 0.000 1.000 382 E CA 1.714 58.080 56.400 -0.056 0.000 0.804 382 E CB -0.398 29.383 29.700 0.135 0.000 0.740 382 E HN 0.557 nan 8.360 nan 0.000 0.454 383 L N -0.150 121.030 121.223 -0.072 0.000 2.056 383 L HA -0.147 4.193 4.340 -0.001 0.000 0.207 383 L C 2.542 179.364 176.870 -0.080 0.000 1.078 383 L CA 1.269 56.076 54.840 -0.056 0.000 0.749 383 L CB -0.390 41.653 42.059 -0.027 0.000 0.901 383 L HN 0.110 nan 8.230 nan 0.000 0.433 384 S N -0.561 115.080 115.700 -0.099 0.000 2.382 384 S HA -0.148 4.322 4.470 -0.001 0.000 0.228 384 S C 2.015 176.560 174.600 -0.091 0.000 1.027 384 S CA 1.224 59.370 58.200 -0.091 0.000 0.991 384 S CB -0.110 63.028 63.200 -0.104 0.000 0.823 384 S HN 0.270 nan 8.310 nan 0.000 0.469 385 M N 1.384 120.925 119.600 -0.097 0.000 2.064 385 M HA -0.049 4.430 4.480 -0.001 0.000 0.260 385 M C 2.042 178.258 176.300 -0.140 0.000 1.073 385 M CA 1.608 56.862 55.300 -0.077 0.000 1.124 385 M CB -1.106 31.484 32.600 -0.018 0.000 1.326 385 M HN 0.225 nan 8.290 nan 0.000 0.410 386 K N 0.251 120.521 120.400 -0.216 0.000 2.103 386 K HA 0.002 4.321 4.320 -0.001 0.000 0.204 386 K C 2.061 178.149 176.600 -0.854 0.000 1.052 386 K CA 0.872 56.867 56.287 -0.486 0.000 0.945 386 K CB -0.178 32.049 32.500 -0.455 0.000 0.722 386 K HN 0.261 nan 8.250 nan 0.000 0.443 387 L N 0.535 121.465 121.223 -0.488 0.000 2.201 387 L HA -0.118 4.222 4.340 -0.001 0.000 0.212 387 L C 2.340 179.153 176.870 -0.096 0.000 1.105 387 L CA 0.963 55.646 54.840 -0.262 0.000 0.775 387 L CB -0.275 41.778 42.059 -0.009 0.000 0.913 387 L HN 0.129 nan 8.230 nan 0.000 0.440 388 R N 0.043 120.484 120.500 -0.098 0.000 2.115 388 R HA -0.149 4.191 4.340 -0.001 0.000 0.230 388 R C 2.082 178.379 176.300 -0.005 0.000 1.111 388 R CA 1.223 57.306 56.100 -0.027 0.000 0.976 388 R CB -0.126 30.157 30.300 -0.028 0.000 0.870 388 R HN 0.463 nan 8.270 nan 0.000 0.445 389 E N -0.523 119.647 120.200 -0.051 0.000 2.107 389 E HA -0.143 4.206 4.350 -0.001 0.000 0.191 389 E C 1.576 178.297 176.600 0.202 0.000 0.982 389 E CA 0.809 57.236 56.400 0.044 0.000 0.809 389 E CB 0.015 29.729 29.700 0.023 0.000 0.756 389 E HN 0.320 nan 8.360 nan 0.000 0.459 390 Y N 0.653 120.968 120.300 0.026 0.000 2.224 390 Y HA -0.087 4.463 4.550 -0.001 0.000 0.289 390 Y C 2.399 178.310 175.900 0.019 0.000 1.146 390 Y CA 0.587 58.699 58.100 0.020 0.000 1.182 390 Y CB -1.157 37.315 38.460 0.020 0.000 0.983 390 Y HN 0.033 nan 8.280 nan 0.000 0.524 391 A N 0.268 123.199 122.820 0.186 0.000 1.940 391 A HA -0.168 4.151 4.320 -0.001 0.000 0.219 391 A C 2.175 179.810 177.584 0.085 0.000 1.176 391 A CA 1.672 53.778 52.037 0.114 0.000 0.631 391 A CB -0.394 18.661 19.000 0.092 0.000 0.814 391 A HN 0.319 nan 8.150 nan 0.000 0.446 392 E N -0.547 119.704 120.200 0.084 0.000 2.106 392 E HA -0.111 4.238 4.350 -0.001 0.000 0.192 392 E C 2.147 178.781 176.600 0.055 0.000 0.984 392 E CA 1.139 57.576 56.400 0.062 0.000 0.806 392 E CB -0.610 29.125 29.700 0.058 0.000 0.750 392 E HN 0.595 nan 8.360 nan 0.000 0.458 393 G N 0.920 109.761 108.800 0.069 0.000 2.430 393 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.216 393 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.216 393 G C 1.742 176.658 174.900 0.027 0.000 1.146 393 G CA 0.162 45.288 45.100 0.043 0.000 0.793 393 G HN 0.142 nan 8.290 nan 0.000 0.537 394 I N -0.104 120.488 120.570 0.037 0.000 2.163 394 I HA -0.025 4.144 4.170 -0.001 0.000 0.240 394 I C 1.762 177.891 176.117 0.019 0.000 1.081 394 I CA 0.832 62.146 61.300 0.023 0.000 1.353 394 I CB -0.306 37.714 38.000 0.034 0.000 1.054 394 I HN 0.308 nan 8.210 nan 0.000 0.407 395 S N -1.138 114.578 115.700 0.028 0.000 3.633 395 S HA -0.119 4.351 4.470 -0.001 0.000 0.637 395 S C 0.448 175.058 174.600 0.017 0.000 2.289 395 S CA 0.755 58.969 58.200 0.022 0.000 2.476 395 S CB -1.419 61.790 63.200 0.016 0.000 0.330 395 S HN 1.459 nan 8.310 nan 0.000 1.787 396 G N 0.665 109.472 108.800 0.013 0.000 2.601 396 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.261 396 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.261 396 G C 0.329 175.235 174.900 0.011 0.000 1.289 396 G CA 0.967 46.072 45.100 0.008 0.000 0.920 396 G HN 1.090 nan 8.290 nan 0.000 0.571 397 R N 0.213 120.718 120.500 0.007 0.000 2.115 397 R HA 0.026 4.365 4.340 -0.001 0.000 0.226 397 R C 2.534 178.841 176.300 0.011 0.000 1.100 397 R CA 1.371 57.477 56.100 0.010 0.000 0.980 397 R CB -0.234 30.070 30.300 0.007 0.000 0.875 397 R HN 0.716 nan 8.270 nan 0.000 0.445 398 E N 0.951 121.155 120.200 0.007 0.000 2.171 398 E HA -0.262 4.087 4.350 -0.001 0.000 0.197 398 E C 2.058 178.676 176.600 0.030 0.000 0.997 398 E CA 1.075 57.479 56.400 0.008 0.000 0.810 398 E CB 0.101 29.801 29.700 0.001 0.000 0.738 398 E HN 0.205 nan 8.360 nan 0.000 0.467 399 Q N 0.596 120.417 119.800 0.035 0.000 2.226 399 Q HA -0.164 4.175 4.340 -0.001 0.000 0.204 399 Q C 2.145 178.183 176.000 0.063 0.000 0.975 399 Q CA 0.925 56.759 55.803 0.051 0.000 0.866 399 Q CB -0.068 28.696 28.738 0.043 0.000 0.915 399 Q HN 0.431 nan 8.270 nan 0.000 0.440 400 L N 0.050 121.305 121.223 0.053 0.000 2.027 400 L HA -0.141 4.199 4.340 -0.001 0.000 0.206 400 L C 2.607 179.535 176.870 0.096 0.000 1.074 400 L CA 1.267 56.143 54.840 0.060 0.000 0.745 400 L CB -0.658 41.425 42.059 0.039 0.000 0.898 400 L HN 0.167 nan 8.230 nan 0.000 0.433 401 A N -0.548 122.327 122.820 0.092 0.000 1.929 401 A HA -0.093 4.226 4.320 -0.001 0.000 0.216 401 A C 2.312 180.098 177.584 0.336 0.000 1.176 401 A CA 1.285 53.422 52.037 0.166 0.000 0.628 401 A CB -0.681 18.302 19.000 -0.029 0.000 0.816 401 A HN 0.178 nan 8.150 nan 0.000 0.444 402 V N 0.137 120.176 119.914 0.209 0.000 2.343 402 V HA -0.229 3.890 4.120 -0.001 0.000 0.247 402 V C 2.673 178.897 176.094 0.217 0.000 1.051 402 V CA 2.329 64.749 62.300 0.200 0.000 1.036 402 V CB -0.790 31.100 31.823 0.112 0.000 0.654 402 V HN 0.623 nan 8.190 nan 0.000 0.451 403 R N 1.127 121.723 120.500 0.160 0.000 2.081 403 R HA -0.064 4.275 4.340 -0.001 0.000 0.235 403 R C 2.158 178.532 176.300 0.124 0.000 1.131 403 R CA 1.922 58.093 56.100 0.118 0.000 0.960 403 R CB -0.992 29.357 30.300 0.081 0.000 0.856 403 R HN 0.431 nan 8.270 nan 0.000 0.436 404 A N -0.454 122.465 122.820 0.165 0.000 1.933 404 A HA -0.120 4.200 4.320 -0.001 0.000 0.218 404 A C 2.157 179.808 177.584 0.111 0.000 1.175 404 A CA 1.331 53.459 52.037 0.151 0.000 0.628 404 A CB -0.840 18.291 19.000 0.218 0.000 0.814 404 A HN 0.486 nan 8.150 nan 0.000 0.444 405 F N 0.984 120.945 119.950 0.018 0.000 2.075 405 F HA -0.104 4.423 4.527 -0.001 0.000 0.297 405 F C 2.537 178.258 175.800 -0.130 0.000 1.113 405 F CA 1.518 59.401 58.000 -0.194 0.000 1.218 405 F CB -0.399 38.516 39.000 -0.142 0.000 0.984 405 F HN 0.245 nan 8.300 nan 0.000 0.472 406 A N -0.171 122.722 122.820 0.121 0.000 1.902 406 A HA -0.187 4.133 4.320 -0.001 0.000 0.217 406 A C 1.889 179.420 177.584 -0.089 0.000 1.181 406 A CA 1.967 54.013 52.037 0.014 0.000 0.623 406 A CB -0.978 18.063 19.000 0.069 0.000 0.818 406 A HN 0.457 nan 8.150 nan 0.000 0.443 407 D N 0.017 120.383 120.400 -0.058 0.000 2.219 407 D HA 0.025 4.665 4.640 -0.001 0.000 0.205 407 D C 2.116 178.348 176.300 -0.113 0.000 0.970 407 D CA 1.189 55.149 54.000 -0.067 0.000 0.851 407 D CB -0.349 40.434 40.800 -0.027 0.000 0.943 407 D HN 0.426 nan 8.370 nan 0.000 0.488 408 A N 0.619 123.335 122.820 -0.172 0.000 2.024 408 A HA -0.129 4.190 4.320 -0.001 0.000 0.220 408 A C 2.244 179.695 177.584 -0.220 0.000 1.164 408 A CA 0.766 52.675 52.037 -0.215 0.000 0.643 408 A CB -0.714 18.086 19.000 -0.333 0.000 0.806 408 A HN 0.245 nan 8.150 nan 0.000 0.451 409 L N -0.358 120.719 121.223 -0.243 0.000 2.265 409 L HA -0.140 4.199 4.340 -0.001 0.000 0.215 409 L C 2.014 178.799 176.870 -0.142 0.000 1.117 409 L CA 0.770 55.488 54.840 -0.202 0.000 0.782 409 L CB -0.452 41.490 42.059 -0.195 0.000 0.914 409 L HN 0.326 nan 8.230 nan 0.000 0.441 410 E N -0.322 119.804 120.200 -0.123 0.000 2.409 410 E HA -0.141 4.209 4.350 -0.001 0.000 0.198 410 E C 2.181 178.730 176.600 -0.084 0.000 1.024 410 E CA 0.606 56.949 56.400 -0.095 0.000 0.861 410 E CB -0.190 29.462 29.700 -0.080 0.000 0.788 410 E HN 0.306 nan 8.360 nan 0.000 0.521 411 V N 0.863 120.722 119.914 -0.092 0.000 2.759 411 V HA -0.187 3.933 4.120 -0.001 0.000 0.256 411 V C 1.779 177.829 176.094 -0.073 0.000 1.080 411 V CA 0.908 63.161 62.300 -0.079 0.000 1.101 411 V CB -0.164 31.608 31.823 -0.084 0.000 0.698 411 V HN 0.127 nan 8.190 nan 0.000 0.477 412 I N 0.492 121.014 120.570 -0.080 0.000 2.296 412 I HA 0.018 4.188 4.170 -0.001 0.000 0.242 412 I C 0.128 176.207 176.117 -0.063 0.000 1.087 412 I CA 1.180 62.438 61.300 -0.071 0.000 1.393 412 I CB -2.732 35.223 38.000 -0.074 0.000 1.093 412 I HN 0.307 nan 8.210 nan 0.000 0.421 413 P HA -0.162 nan 4.420 nan 0.000 0.216 413 P C 1.826 179.094 177.300 -0.053 0.000 1.150 413 P CA 1.426 64.491 63.100 -0.058 0.000 0.843 413 P CB -0.094 31.567 31.700 -0.065 0.000 0.787 414 R N -0.627 119.840 120.500 -0.055 0.000 2.052 414 R HA -0.013 4.326 4.340 -0.001 0.000 0.226 414 R C 1.932 178.203 176.300 -0.048 0.000 1.145 414 R CA 1.994 58.064 56.100 -0.049 0.000 0.952 414 R CB -1.291 28.980 30.300 -0.049 0.000 0.847 414 R HN 0.057 nan 8.270 nan 0.000 0.431 415 T N 2.607 117.130 114.554 -0.051 0.000 2.833 415 T HA -0.137 4.213 4.350 -0.001 0.000 0.269 415 T C 1.724 176.391 174.700 -0.054 0.000 1.054 415 T CA 1.135 63.205 62.100 -0.050 0.000 1.135 415 T CB -0.218 68.619 68.868 -0.051 0.000 0.869 415 T HN 0.113 nan 8.240 nan 0.000 0.466 416 L N 1.609 122.798 121.223 -0.057 0.000 1.994 416 L HA 0.075 4.415 4.340 -0.001 0.000 0.208 416 L C 2.618 179.447 176.870 -0.068 0.000 1.071 416 L CA 2.046 56.847 54.840 -0.065 0.000 0.745 416 L CB -1.064 40.959 42.059 -0.061 0.000 0.892 416 L HN 0.206 nan 8.230 nan 0.000 0.431 417 A N -1.178 121.607 122.820 -0.057 0.000 2.019 417 A HA -0.225 4.095 4.320 -0.001 0.000 0.219 417 A C 2.210 179.764 177.584 -0.050 0.000 1.164 417 A CA 1.650 53.655 52.037 -0.053 0.000 0.644 417 A CB -0.632 18.343 19.000 -0.042 0.000 0.805 417 A HN 0.574 nan 8.150 nan 0.000 0.449 418 E N 0.579 120.750 120.200 -0.048 0.000 2.072 418 E HA -0.144 4.206 4.350 -0.001 0.000 0.191 418 E C 1.705 178.276 176.600 -0.047 0.000 0.985 418 E CA 1.445 57.819 56.400 -0.043 0.000 0.801 418 E CB -0.162 29.514 29.700 -0.041 0.000 0.750 418 E HN 0.547 nan 8.360 nan 0.000 0.452 419 N N -0.052 118.615 118.700 -0.055 0.000 2.309 419 N HA -0.090 4.649 4.740 -0.001 0.000 0.182 419 N C 1.272 176.739 175.510 -0.071 0.000 1.018 419 N CA 1.140 54.154 53.050 -0.061 0.000 0.876 419 N CB -0.252 38.195 38.487 -0.067 0.000 0.972 419 N HN 0.246 nan 8.380 nan 0.000 0.434 420 A N -0.077 122.696 122.820 -0.079 0.000 2.119 420 A HA 0.315 4.634 4.320 -0.001 0.000 0.216 420 A C 1.482 179.031 177.584 -0.060 0.000 1.152 420 A CA 1.034 53.020 52.037 -0.086 0.000 0.708 420 A CB -0.396 18.547 19.000 -0.096 0.000 0.805 420 A HN 0.309 nan 8.150 nan 0.000 0.460 421 G N -1.279 107.492 108.800 -0.048 0.000 2.149 421 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.235 421 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.235 421 G C -0.032 174.850 174.900 -0.030 0.000 1.018 421 G CA 0.341 45.420 45.100 -0.036 0.000 0.728 421 G HN 0.443 nan 8.290 nan 0.000 0.508 422 L N -0.210 120.993 121.223 -0.033 0.000 2.387 422 L HA 0.504 4.843 4.340 -0.001 0.000 0.266 422 L C 0.540 177.395 176.870 -0.024 0.000 1.059 422 L CA -1.115 53.709 54.840 -0.027 0.000 0.801 422 L CB 0.779 42.821 42.059 -0.029 0.000 1.223 422 L HN 0.099 nan 8.230 nan 0.000 0.456 423 D N 0.801 121.189 120.400 -0.019 0.000 2.363 423 D HA 0.085 4.725 4.640 -0.001 0.000 0.263 423 D C 0.747 177.035 176.300 -0.021 0.000 1.258 423 D CA 0.171 54.160 54.000 -0.018 0.000 0.907 423 D CB 1.743 42.534 40.800 -0.014 0.000 1.107 423 D HN 0.629 nan 8.370 nan 0.000 0.495 424 A N 5.317 128.123 122.820 -0.023 0.000 1.940 424 A HA -0.192 4.127 4.320 -0.001 0.000 0.219 424 A C 2.071 179.641 177.584 -0.024 0.000 1.176 424 A CA 0.944 52.965 52.037 -0.026 0.000 0.631 424 A CB -0.179 18.805 19.000 -0.027 0.000 0.814 424 A HN 0.698 nan 8.150 nan 0.000 0.446 425 I N -0.708 119.850 120.570 -0.020 0.000 2.296 425 I HA -0.119 4.050 4.170 -0.001 0.000 0.242 425 I C 2.437 178.544 176.117 -0.015 0.000 1.087 425 I CA 1.584 62.874 61.300 -0.018 0.000 1.393 425 I CB -1.525 36.466 38.000 -0.015 0.000 1.093 425 I HN 0.562 nan 8.210 nan 0.000 0.421 426 E N 1.255 121.448 120.200 -0.013 0.000 2.077 426 E HA -0.207 4.142 4.350 -0.001 0.000 0.193 426 E C 2.327 178.921 176.600 -0.010 0.000 0.989 426 E CA 1.159 57.553 56.400 -0.010 0.000 0.800 426 E CB 0.178 29.873 29.700 -0.008 0.000 0.746 426 E HN 0.209 nan 8.360 nan 0.000 0.452 427 I N 0.876 121.438 120.570 -0.013 0.000 2.127 427 I HA -0.273 3.896 4.170 -0.001 0.000 0.241 427 I C 2.416 178.525 176.117 -0.014 0.000 1.075 427 I CA 1.014 62.306 61.300 -0.013 0.000 1.334 427 I CB -0.983 37.005 38.000 -0.019 0.000 1.040 427 I HN 0.275 nan 8.210 nan 0.000 0.405 428 L N 0.011 121.221 121.223 -0.020 0.000 2.131 428 L HA -0.149 4.190 4.340 -0.001 0.000 0.210 428 L C 2.541 179.399 176.870 -0.019 0.000 1.092 428 L CA 1.254 56.079 54.840 -0.025 0.000 0.759 428 L CB -0.951 41.089 42.059 -0.031 0.000 0.903 428 L HN 0.004 nan 8.230 nan 0.000 0.435 429 V N -1.157 118.750 119.914 -0.013 0.000 2.323 429 V HA -0.237 3.883 4.120 -0.001 0.000 0.244 429 V C 2.487 178.581 176.094 0.001 0.000 1.041 429 V CA 1.375 63.672 62.300 -0.006 0.000 1.025 429 V CB -0.391 31.429 31.823 -0.005 0.000 0.656 429 V HN 0.300 nan 8.190 nan 0.000 0.451 430 K N -0.184 120.217 120.400 0.001 0.000 2.155 430 K HA -0.030 4.290 4.320 -0.001 0.000 0.203 430 K C 1.864 178.474 176.600 0.015 0.000 1.052 430 K CA 0.853 57.145 56.287 0.007 0.000 0.948 430 K CB -0.438 32.065 32.500 0.005 0.000 0.728 430 K HN 0.313 nan 8.250 nan 0.000 0.448 431 V N 0.508 120.430 119.914 0.013 0.000 2.346 431 V HA -0.157 3.963 4.120 -0.001 0.000 0.244 431 V C 2.065 178.185 176.094 0.043 0.000 1.037 431 V CA 1.531 63.845 62.300 0.023 0.000 1.029 431 V CB -0.297 31.527 31.823 0.002 0.000 0.663 431 V HN 0.224 nan 8.190 nan 0.000 0.454 432 R N 0.154 120.664 120.500 0.017 0.000 2.115 432 R HA -0.056 4.284 4.340 -0.001 0.000 0.230 432 R C 2.391 178.727 176.300 0.061 0.000 1.111 432 R CA 1.325 57.440 56.100 0.024 0.000 0.976 432 R CB -0.492 29.800 30.300 -0.012 0.000 0.870 432 R HN 0.534 nan 8.270 nan 0.000 0.445 433 A N 1.274 124.118 122.820 0.039 0.000 1.873 433 A HA -0.065 4.255 4.320 -0.001 0.000 0.215 433 A C 2.364 179.972 177.584 0.040 0.000 1.186 433 A CA 1.554 53.611 52.037 0.034 0.000 0.616 433 A CB -0.612 18.399 19.000 0.019 0.000 0.823 433 A HN 0.365 nan 8.150 nan 0.000 0.442 434 A N -1.069 121.777 122.820 0.045 0.000 1.933 434 A HA -0.157 4.162 4.320 -0.001 0.000 0.218 434 A C 2.006 179.616 177.584 0.044 0.000 1.175 434 A CA 2.072 54.131 52.037 0.037 0.000 0.628 434 A CB -0.857 18.164 19.000 0.036 0.000 0.814 434 A HN 0.781 nan 8.150 nan 0.000 0.444 435 H N -0.207 118.859 119.070 -0.007 0.000 2.326 435 H HA 0.053 4.608 4.556 -0.001 0.000 0.301 435 H C 2.217 177.540 175.328 -0.008 0.000 1.081 435 H CA 1.974 58.017 56.048 -0.008 0.000 1.334 435 H CB -0.198 29.557 29.762 -0.012 0.000 1.385 435 H HN 0.388 nan 8.280 nan 0.000 0.504 436 A N -0.640 122.243 122.820 0.104 0.000 1.908 436 A HA -0.195 4.125 4.320 -0.001 0.000 0.218 436 A C 2.568 180.141 177.584 -0.019 0.000 1.181 436 A CA 2.060 54.129 52.037 0.053 0.000 0.627 436 A CB -1.064 17.974 19.000 0.063 0.000 0.818 436 A HN 0.515 nan 8.150 nan 0.000 0.445 437 S N -0.639 115.049 115.700 -0.019 0.000 2.341 437 S HA -0.081 4.388 4.470 -0.001 0.000 0.216 437 S C 1.876 176.447 174.600 -0.048 0.000 1.034 437 S CA 1.060 59.245 58.200 -0.025 0.000 0.964 437 S CB -0.397 62.797 63.200 -0.011 0.000 0.882 437 S HN 0.597 nan 8.310 nan 0.000 0.469 438 N N 1.085 119.750 118.700 -0.058 0.000 2.354 438 N HA 0.231 4.971 4.740 -0.001 0.000 0.179 438 N C 1.064 176.508 175.510 -0.109 0.000 1.021 438 N CA 1.018 54.029 53.050 -0.065 0.000 0.887 438 N CB -0.129 38.332 38.487 -0.044 0.000 0.974 438 N HN 0.623 nan 8.380 nan 0.000 0.437 439 G N 0.671 109.347 108.800 -0.206 0.000 2.498 439 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.651 439 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.651 439 G C 0.145 174.785 174.900 -0.433 0.000 1.284 439 G CA 0.043 44.960 45.100 -0.305 0.000 0.950 439 G HN 0.349 nan 8.290 nan 0.000 0.511 440 N N -0.309 118.190 118.700 -0.335 0.000 2.446 440 N HA 0.004 4.743 4.740 -0.001 0.000 0.179 440 N C 1.592 177.098 175.510 -0.006 0.000 1.054 440 N CA 1.610 54.599 53.050 -0.101 0.000 0.905 440 N CB -0.076 38.455 38.487 0.073 0.000 0.973 440 N HN 0.883 nan 8.380 nan 0.000 0.448 441 K N -1.002 119.376 120.400 -0.037 0.000 2.374 441 K HA 0.266 4.585 4.320 -0.001 0.000 0.196 441 K C -0.321 176.271 176.600 -0.013 0.000 1.023 441 K CA -0.015 56.264 56.287 -0.012 0.000 1.103 441 K CB 0.078 32.570 32.500 -0.015 0.000 0.848 441 K HN 0.118 nan 8.250 nan 0.000 0.528 442 C N 1.521 120.805 119.300 -0.027 0.000 3.114 442 C HA 0.688 5.148 4.460 -0.001 0.000 0.215 442 C C 0.142 175.132 174.990 -0.001 0.000 1.759 442 C CA -0.706 58.302 59.018 -0.017 0.000 1.455 442 C CB -0.571 27.148 27.740 -0.035 0.000 2.528 442 C HN 0.599 nan 8.230 nan 0.000 0.511 443 A N 0.077 122.917 122.820 0.034 0.000 2.593 443 A HA 1.004 5.324 4.320 -0.001 0.000 0.304 443 A C -0.076 177.553 177.584 0.075 0.000 1.233 443 A CA 0.222 52.306 52.037 0.079 0.000 0.661 443 A CB 0.342 19.452 19.000 0.183 0.000 1.338 443 A HN 1.915 nan 8.150 nan 0.000 0.495 444 G N -2.106 106.741 108.800 0.077 0.000 2.699 444 G HA2 0.414 4.373 3.960 -0.001 0.000 0.686 444 G HA3 0.414 4.373 3.960 -0.001 0.000 0.686 444 G C -0.983 173.940 174.900 0.038 0.000 1.301 444 G CA -0.096 45.032 45.100 0.048 0.000 0.816 444 G HN 2.063 nan 8.290 nan 0.000 0.595 445 L N 0.537 121.776 121.223 0.026 0.000 2.289 445 L HA 0.774 5.113 4.340 -0.001 0.000 0.285 445 L C 0.181 177.074 176.870 0.039 0.000 1.049 445 L CA -1.027 53.826 54.840 0.021 0.000 0.804 445 L CB 1.603 43.661 42.059 -0.002 0.000 1.195 445 L HN 0.721 nan 8.230 nan 0.000 0.428 446 N N 2.996 121.729 118.700 0.054 0.000 2.527 446 N HA 0.212 4.952 4.740 -0.001 0.000 0.236 446 N C 0.765 176.313 175.510 0.064 0.000 0.999 446 N CA -0.223 52.890 53.050 0.105 0.000 0.935 446 N CB 1.056 39.617 38.487 0.124 0.000 1.132 446 N HN 0.525 nan 8.380 nan 0.000 0.511 447 V N 1.321 121.226 119.914 -0.014 0.000 2.970 447 V HA 0.023 4.143 4.120 -0.001 0.000 0.260 447 V C 1.344 177.339 176.094 -0.164 0.000 1.100 447 V CA 1.120 63.340 62.300 -0.134 0.000 1.122 447 V CB -1.155 30.517 31.823 -0.251 0.000 0.721 447 V HN 0.398 nan 8.190 nan 0.000 0.483 448 F N 2.702 122.650 119.950 -0.004 0.000 2.234 448 F HA -0.020 4.507 4.527 -0.001 0.000 0.299 448 F C 2.595 178.393 175.800 -0.003 0.000 1.087 448 F CA 1.869 59.867 58.000 -0.003 0.000 1.340 448 F CB -0.568 38.431 39.000 -0.002 0.000 1.031 448 F HN 0.424 nan 8.300 nan 0.000 0.500 449 T N -4.562 110.093 114.554 0.167 0.000 2.985 449 T HA 0.415 4.764 4.350 -0.001 0.000 0.254 449 T C 1.429 176.157 174.700 0.046 0.000 1.021 449 T CA 0.370 62.524 62.100 0.089 0.000 0.957 449 T CB 0.346 69.258 68.868 0.075 0.000 1.047 449 T HN 0.343 nan 8.240 nan 0.000 0.511 450 G N 1.170 109.990 108.800 0.032 0.000 2.291 450 G HA2 0.289 4.248 3.960 -0.001 0.000 0.271 450 G HA3 0.289 4.248 3.960 -0.001 0.000 0.271 450 G C 0.025 174.931 174.900 0.010 0.000 1.099 450 G CA -0.220 44.883 45.100 0.005 0.000 0.919 450 G HN 1.401 nan 8.290 nan 0.000 0.496 451 A N -1.349 121.482 122.820 0.019 0.000 2.604 451 A HA 0.883 5.203 4.320 -0.001 0.000 0.295 451 A C 0.027 177.625 177.584 0.023 0.000 1.067 451 A CA 0.096 52.143 52.037 0.018 0.000 0.683 451 A CB 1.674 20.687 19.000 0.021 0.000 1.281 451 A HN 1.783 nan 8.150 nan 0.000 0.407 452 V N 1.865 121.790 119.914 0.019 0.000 2.599 452 V HA 0.428 4.548 4.120 -0.001 0.000 0.300 452 V C -0.224 175.886 176.094 0.027 0.000 1.034 452 V CA 0.860 63.174 62.300 0.023 0.000 1.115 452 V CB 0.539 32.374 31.823 0.021 0.000 0.934 452 V HN 0.872 nan 8.190 nan 0.000 0.485 453 E N 3.679 123.899 120.200 0.033 0.000 2.458 453 E HA 0.315 4.665 4.350 -0.001 0.000 0.278 453 E C -1.423 175.195 176.600 0.031 0.000 1.004 453 E CA -0.716 55.703 56.400 0.032 0.000 0.823 453 E CB 1.472 31.196 29.700 0.039 0.000 1.396 453 E HN 0.715 nan 8.360 nan 0.000 0.463 454 D N 1.924 122.339 120.400 0.024 0.000 2.393 454 D HA 0.098 4.738 4.640 -0.001 0.000 0.232 454 D C 0.928 177.242 176.300 0.023 0.000 1.192 454 D CA -0.152 53.860 54.000 0.020 0.000 0.882 454 D CB 0.541 41.347 40.800 0.010 0.000 1.038 454 D HN 0.214 nan 8.370 nan 0.000 0.499 455 M N 2.187 121.806 119.600 0.031 0.000 2.159 455 M HA -0.145 4.335 4.480 -0.001 0.000 0.263 455 M C 2.347 178.660 176.300 0.023 0.000 1.063 455 M CA 0.640 55.960 55.300 0.034 0.000 1.110 455 M CB -1.181 31.445 32.600 0.042 0.000 1.374 455 M HN 0.535 nan 8.290 nan 0.000 0.411 456 C N 0.712 120.023 119.300 0.019 0.000 2.453 456 C HA -0.164 4.295 4.460 -0.001 0.000 0.277 456 C C 2.688 177.681 174.990 0.005 0.000 1.262 456 C CA 1.358 60.383 59.018 0.012 0.000 1.718 456 C CB -0.915 26.831 27.740 0.010 0.000 2.031 456 C HN 0.638 nan 8.230 nan 0.000 0.480 457 E N 0.159 120.362 120.200 0.004 0.000 2.118 457 E HA -0.204 4.145 4.350 -0.001 0.000 0.195 457 E C 1.392 177.990 176.600 -0.004 0.000 0.992 457 E CA 1.352 57.752 56.400 -0.000 0.000 0.804 457 E CB -0.209 29.491 29.700 0.000 0.000 0.741 457 E HN 0.661 nan 8.360 nan 0.000 0.458 458 N N -0.417 118.281 118.700 -0.002 0.000 2.461 458 N HA -0.005 4.735 4.740 -0.001 0.000 0.188 458 N C 0.770 176.268 175.510 -0.020 0.000 1.134 458 N CA 0.935 53.978 53.050 -0.013 0.000 0.878 458 N CB 0.906 39.389 38.487 -0.007 0.000 0.972 458 N HN 0.343 nan 8.380 nan 0.000 0.456 459 G N 0.461 109.255 108.800 -0.010 0.000 2.147 459 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.244 459 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.244 459 G C -0.002 174.895 174.900 -0.004 0.000 1.005 459 G CA 0.048 45.142 45.100 -0.010 0.000 0.713 459 G HN 0.197 nan 8.290 nan 0.000 0.515 460 V N 1.477 121.395 119.914 0.007 0.000 2.222 460 V HA 0.504 4.623 4.120 -0.001 0.000 0.253 460 V C 0.829 176.938 176.094 0.026 0.000 1.210 460 V CA 0.158 62.472 62.300 0.024 0.000 1.079 460 V CB 0.410 32.261 31.823 0.047 0.000 1.265 460 V HN 1.048 nan 8.190 nan 0.000 0.494 461 V N 1.927 121.853 119.914 0.020 0.000 3.130 461 V HA 0.939 5.058 4.120 -0.001 0.000 0.310 461 V C -0.761 175.344 176.094 0.018 0.000 1.158 461 V CA -0.909 61.402 62.300 0.019 0.000 1.029 461 V CB 2.437 34.268 31.823 0.014 0.000 1.057 461 V HN 0.777 nan 8.190 nan 0.000 0.436 462 E N 0.960 121.170 120.200 0.017 0.000 2.390 462 E HA 0.658 5.008 4.350 -0.001 0.000 0.277 462 E C -3.277 173.331 176.600 0.013 0.000 0.939 462 E CA -2.371 54.038 56.400 0.015 0.000 0.769 462 E CB 2.338 32.047 29.700 0.015 0.000 1.251 462 E HN 0.453 nan 8.360 nan 0.000 0.450 463 P HA -0.046 nan 4.420 nan 0.000 0.266 463 P C 0.519 177.826 177.300 0.013 0.000 1.195 463 P CA -0.339 62.768 63.100 0.012 0.000 0.768 463 P CB 0.507 32.213 31.700 0.010 0.000 0.838 464 L N 4.474 125.706 121.223 0.014 0.000 2.012 464 L HA -0.174 4.166 4.340 -0.001 0.000 0.210 464 L C 2.418 179.297 176.870 0.016 0.000 1.073 464 L CA 1.865 56.715 54.840 0.016 0.000 0.748 464 L CB -0.834 41.235 42.059 0.017 0.000 0.891 464 L HN 0.311 nan 8.230 nan 0.000 0.431 465 R N -0.968 119.540 120.500 0.014 0.000 2.133 465 R HA -0.187 4.153 4.340 -0.001 0.000 0.247 465 R C 2.030 178.337 176.300 0.012 0.000 1.151 465 R CA 2.133 58.241 56.100 0.013 0.000 0.971 465 R CB -0.405 29.902 30.300 0.012 0.000 0.866 465 R HN 0.395 nan 8.270 nan 0.000 0.447 466 V N 1.040 120.961 119.914 0.011 0.000 2.295 466 V HA -0.237 3.883 4.120 -0.001 0.000 0.246 466 V C 2.332 178.430 176.094 0.007 0.000 1.049 466 V CA 2.082 64.388 62.300 0.008 0.000 1.024 466 V CB -0.482 31.346 31.823 0.008 0.000 0.648 466 V HN 0.283 nan 8.190 nan 0.000 0.447 467 K N 0.790 121.195 120.400 0.009 0.000 2.103 467 K HA -0.123 4.197 4.320 -0.001 0.000 0.204 467 K C 2.224 178.832 176.600 0.014 0.000 1.052 467 K CA 1.929 58.221 56.287 0.008 0.000 0.945 467 K CB -0.668 31.838 32.500 0.011 0.000 0.722 467 K HN 0.678 nan 8.250 nan 0.000 0.443 468 T N -2.125 112.441 114.554 0.019 0.000 2.942 468 T HA -0.073 4.277 4.350 -0.001 0.000 0.265 468 T C 1.875 176.591 174.700 0.026 0.000 1.062 468 T CA 0.819 62.935 62.100 0.027 0.000 1.139 468 T CB -0.154 68.730 68.868 0.027 0.000 0.883 468 T HN 0.104 nan 8.240 nan 0.000 0.468 469 Q N 1.901 121.712 119.800 0.019 0.000 2.123 469 Q HA 0.258 4.597 4.340 -0.001 0.000 0.199 469 Q C 2.417 178.427 176.000 0.015 0.000 0.966 469 Q CA 1.726 57.540 55.803 0.017 0.000 0.845 469 Q CB -0.996 27.750 28.738 0.013 0.000 0.907 469 Q HN 0.627 nan 8.270 nan 0.000 0.439 470 A N 0.576 123.401 122.820 0.009 0.000 1.908 470 A HA -0.170 4.149 4.320 -0.001 0.000 0.218 470 A C 1.946 179.532 177.584 0.003 0.000 1.181 470 A CA 1.645 53.682 52.037 -0.001 0.000 0.627 470 A CB -0.720 18.272 19.000 -0.012 0.000 0.818 470 A HN 0.453 nan 8.150 nan 0.000 0.445 471 I N -0.471 120.110 120.570 0.019 0.000 2.202 471 I HA -0.206 3.963 4.170 -0.001 0.000 0.242 471 I C 2.646 178.806 176.117 0.072 0.000 1.091 471 I CA 1.937 63.267 61.300 0.051 0.000 1.368 471 I CB -1.435 36.614 38.000 0.082 0.000 1.058 471 I HN 0.471 nan 8.210 nan 0.000 0.410 472 Q N 1.262 121.095 119.800 0.055 0.000 2.030 472 Q HA -0.161 4.178 4.340 -0.001 0.000 0.204 472 Q C 2.412 178.441 176.000 0.048 0.000 0.986 472 Q CA 2.595 58.429 55.803 0.052 0.000 0.843 472 Q CB -0.301 28.460 28.738 0.037 0.000 0.904 472 Q HN 0.345 nan 8.270 nan 0.000 0.420 473 S N 0.009 115.729 115.700 0.034 0.000 2.368 473 S HA -0.096 4.374 4.470 -0.001 0.000 0.225 473 S C 1.901 176.520 174.600 0.031 0.000 1.030 473 S CA 0.969 59.186 58.200 0.028 0.000 0.999 473 S CB -0.629 62.582 63.200 0.017 0.000 0.844 473 S HN 0.595 nan 8.310 nan 0.000 0.459 474 A N 1.569 124.404 122.820 0.025 0.000 1.877 474 A HA 0.127 4.447 4.320 -0.001 0.000 0.216 474 A C 2.353 179.968 177.584 0.053 0.000 1.186 474 A CA 1.709 53.755 52.037 0.016 0.000 0.620 474 A CB -1.108 17.877 19.000 -0.025 0.000 0.822 474 A HN 0.508 nan 8.150 nan 0.000 0.443 475 A N 0.737 123.616 122.820 0.097 0.000 1.898 475 A HA -0.172 4.148 4.320 -0.001 0.000 0.216 475 A C 1.996 179.660 177.584 0.133 0.000 1.181 475 A CA 1.740 53.877 52.037 0.168 0.000 0.620 475 A CB -0.640 18.484 19.000 0.206 0.000 0.819 475 A HN 0.786 nan 8.150 nan 0.000 0.442 476 E N 0.287 120.541 120.200 0.091 0.000 2.208 476 E HA -0.117 4.232 4.350 -0.001 0.000 0.193 476 E C 1.819 178.458 176.600 0.065 0.000 0.988 476 E CA 1.397 57.840 56.400 0.072 0.000 0.828 476 E CB -0.345 29.386 29.700 0.052 0.000 0.763 476 E HN 0.634 nan 8.360 nan 0.000 0.478 477 S N 0.287 116.024 115.700 0.061 0.000 2.446 477 S HA -0.038 4.432 4.470 -0.001 0.000 0.225 477 S C 2.005 176.642 174.600 0.063 0.000 1.016 477 S CA 0.948 59.178 58.200 0.050 0.000 0.943 477 S CB -0.277 62.944 63.200 0.035 0.000 0.786 477 S HN 0.205 nan 8.310 nan 0.000 0.508 478 T N 2.292 116.899 114.554 0.089 0.000 2.737 478 T HA -0.043 4.306 4.350 -0.001 0.000 0.265 478 T C 1.737 176.519 174.700 0.136 0.000 1.038 478 T CA 1.570 63.747 62.100 0.127 0.000 1.144 478 T CB -0.384 68.601 68.868 0.196 0.000 0.866 478 T HN 0.660 nan 8.240 nan 0.000 0.434 479 E N 0.718 121.001 120.200 0.137 0.000 2.110 479 E HA -0.139 4.211 4.350 -0.001 0.000 0.193 479 E C 2.231 178.869 176.600 0.063 0.000 0.988 479 E CA 0.851 57.310 56.400 0.099 0.000 0.804 479 E CB -0.210 29.545 29.700 0.092 0.000 0.745 479 E HN 0.451 nan 8.360 nan 0.000 0.458 480 M N 0.686 120.321 119.600 0.059 0.000 2.073 480 M HA -0.234 4.246 4.480 -0.001 0.000 0.258 480 M C 2.358 178.683 176.300 0.040 0.000 1.070 480 M CA 1.598 56.924 55.300 0.044 0.000 1.103 480 M CB -0.201 32.424 32.600 0.041 0.000 1.321 480 M HN 0.338 nan 8.290 nan 0.000 0.405 481 L N 0.527 121.777 121.223 0.045 0.000 2.012 481 L HA -0.241 4.099 4.340 -0.001 0.000 0.210 481 L C 2.248 179.137 176.870 0.031 0.000 1.073 481 L CA 1.451 56.313 54.840 0.038 0.000 0.748 481 L CB -0.323 41.758 42.059 0.038 0.000 0.891 481 L HN 0.419 nan 8.230 nan 0.000 0.431 482 L N -0.682 120.561 121.223 0.034 0.000 2.131 482 L HA -0.213 4.127 4.340 -0.001 0.000 0.210 482 L C 2.684 179.560 176.870 0.011 0.000 1.092 482 L CA 1.133 55.982 54.840 0.015 0.000 0.759 482 L CB -0.469 41.597 42.059 0.013 0.000 0.903 482 L HN 0.246 nan 8.230 nan 0.000 0.435 483 R N -0.204 120.309 120.500 0.022 0.000 2.189 483 R HA 0.062 4.401 4.340 -0.001 0.000 0.218 483 R C 0.435 176.746 176.300 0.019 0.000 1.074 483 R CA 0.525 56.638 56.100 0.021 0.000 0.991 483 R CB -0.071 30.244 30.300 0.025 0.000 0.883 483 R HN 0.278 nan 8.270 nan 0.000 0.457 484 I N 0.835 121.417 120.570 0.020 0.000 2.331 484 I HA 0.040 4.209 4.170 -0.001 0.000 0.292 484 I C 0.265 176.392 176.117 0.017 0.000 0.998 484 I CA 0.024 61.337 61.300 0.021 0.000 1.267 484 I CB 1.519 39.535 38.000 0.028 0.000 1.386 484 I HN -0.117 nan 8.210 nan 0.000 0.476 485 D N 3.376 123.785 120.400 0.016 0.000 2.539 485 D HA 0.111 4.750 4.640 -0.001 0.000 0.232 485 D C -0.799 175.512 176.300 0.019 0.000 1.256 485 D CA 0.238 54.245 54.000 0.011 0.000 0.810 485 D CB 0.513 41.315 40.800 0.002 0.000 1.090 485 D HN 0.432 nan 8.370 nan 0.000 0.519 486 D N 0.037 120.450 120.400 0.023 0.000 2.861 486 D HA 0.199 4.839 4.640 -0.001 0.000 0.216 486 D C -1.363 174.952 176.300 0.024 0.000 1.323 486 D CA -0.403 53.611 54.000 0.024 0.000 0.917 486 D CB 1.901 42.712 40.800 0.018 0.000 1.582 486 D HN -0.263 nan 8.370 nan 0.000 0.576 487 V N 5.178 125.108 119.914 0.028 0.000 2.347 487 V HA 0.477 4.597 4.120 -0.001 0.000 0.280 487 V C 0.409 176.509 176.094 0.010 0.000 1.021 487 V CA -0.551 61.761 62.300 0.021 0.000 0.847 487 V CB 1.276 33.116 31.823 0.028 0.000 0.990 487 V HN 0.477 nan 8.190 nan 0.000 0.444 488 I N 4.913 125.485 120.570 0.003 0.000 2.371 488 I HA 0.646 4.815 4.170 -0.001 0.000 0.282 488 I C 0.396 176.507 176.117 -0.009 0.000 1.031 488 I CA -0.210 61.090 61.300 -0.001 0.000 1.180 488 I CB 1.294 39.294 38.000 0.001 0.000 1.336 488 I HN 0.657 nan 8.210 nan 0.000 0.467 489 A N 4.867 127.679 122.820 -0.015 0.000 2.337 489 A HA 0.890 5.209 4.320 -0.001 0.000 0.329 489 A C 0.106 177.680 177.584 -0.017 0.000 1.146 489 A CA -0.499 51.524 52.037 -0.023 0.000 0.800 489 A CB 1.204 20.181 19.000 -0.039 0.000 1.220 489 A HN 0.718 nan 8.150 nan 0.000 0.472 490 A N 1.768 124.578 122.820 -0.016 0.000 2.313 490 A HA 0.547 4.867 4.320 -0.001 0.000 0.261 490 A C 0.413 177.989 177.584 -0.014 0.000 1.090 490 A CA -0.270 51.760 52.037 -0.013 0.000 0.807 490 A CB -0.175 18.818 19.000 -0.010 0.000 1.055 490 A HN 0.893 nan 8.150 nan 0.000 0.492 491 E N 0.000 120.193 120.200 -0.011 0.000 2.725 491 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 491 E CA 0.000 56.394 56.400 -0.011 0.000 0.976 491 E CB 0.000 29.695 29.700 -0.008 0.000 0.812 491 E HN 0.000 nan 8.360 nan 0.000 0.440