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 3l4i_1_A DATA FIRST_RESID 19 DATA SEQUENCE GPAIGIDLGT TYSCVGVWRN DTVDIVPNDQ GNRTTPSYVA FTETERLIGD DATA SEQUENCE AAKNQVARNP ENTVFDAKRL IGRKFDDQAV QSDMTHWPFK VVRGPKDKPI DATA SEQUENCE ISVNYLGEKK EFHAEEISAM VLQKMKEISE AYLGRQIKNA VVTVPAYFND DATA SEQUENCE SQRQATKDAG AIAGLNVMRI INEPTAAAIA YGLDKKGTGE RNVLIFDLGG DATA SEQUENCE GTFDVSLLTI EDGIFEVKAT AGDTHLGGED FDNRLVEFCV QDFKRKNRGM DATA SEQUENCE DLTTNARALR RLRTQCERAK RTLSSSTQAT IELDSLYEGI DYSVAISRAR DATA SEQUENCE FEELCADYFR ATLAPVEKVL KDAGMDKRSV HDVVLVGGST RIPKVQALIQ DATA SEQUENCE EFFNGKEPCK AINPDEAVAY GAAVQAAILN G 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 19 G HA2 0.000 nan 3.960 nan 0.000 0.244 19 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 19 G C 0.000 174.898 174.900 -0.003 0.000 0.946 19 G CA 0.000 45.100 45.100 0.000 0.000 0.502 20 P HA 0.575 nan 4.420 nan 0.000 0.274 20 P C -0.545 176.755 177.300 -0.001 0.000 1.237 20 P CA 0.118 63.229 63.100 0.018 0.000 0.793 20 P CB 1.667 33.397 31.700 0.050 0.000 0.977 21 A N 2.211 125.020 122.820 -0.018 0.000 2.413 21 A HA 0.805 5.125 4.320 -0.001 0.000 0.307 21 A C -0.112 177.463 177.584 -0.014 0.000 1.087 21 A CA -0.896 51.121 52.037 -0.033 0.000 0.750 21 A CB 1.009 19.962 19.000 -0.078 0.000 1.296 21 A HN 0.641 nan 8.150 nan 0.000 0.423 22 I N -1.210 119.352 120.570 -0.013 0.000 2.892 22 I HA 0.914 5.084 4.170 -0.001 0.000 0.306 22 I C 0.082 176.186 176.117 -0.021 0.000 1.078 22 I CA -1.120 60.178 61.300 -0.004 0.000 1.032 22 I CB 2.433 40.435 38.000 0.003 0.000 1.229 22 I HN 0.657 nan 8.210 nan 0.000 0.435 23 G N 4.612 113.400 108.800 -0.021 0.000 2.417 23 G HA2 0.698 4.658 3.960 -0.001 0.000 0.320 23 G HA3 0.698 4.658 3.960 -0.001 0.000 0.320 23 G C -0.934 173.953 174.900 -0.021 0.000 1.204 23 G CA -0.637 44.448 45.100 -0.025 0.000 0.923 23 G HN 0.583 nan 8.290 nan 0.000 0.466 24 I N 2.008 122.565 120.570 -0.022 0.000 2.382 24 I HA 0.177 4.347 4.170 -0.001 0.000 0.286 24 I C -0.887 175.217 176.117 -0.022 0.000 1.002 24 I CA -0.862 60.426 61.300 -0.020 0.000 1.135 24 I CB 2.205 40.194 38.000 -0.018 0.000 1.288 24 I HN 0.328 nan 8.210 nan 0.000 0.448 25 D N 7.010 127.401 120.400 -0.015 0.000 2.374 25 D HA 0.119 4.759 4.640 -0.001 0.000 0.240 25 D C -0.634 175.659 176.300 -0.011 0.000 1.229 25 D CA -0.280 53.709 54.000 -0.018 0.000 0.895 25 D CB 0.942 41.740 40.800 -0.003 0.000 1.046 25 D HN 0.262 nan 8.370 nan 0.000 0.498 26 L N 5.081 126.289 121.223 -0.026 0.000 2.358 26 L HA 0.499 4.839 4.340 -0.001 0.000 0.274 26 L C 0.454 177.314 176.870 -0.018 0.000 1.136 26 L CA -0.211 54.620 54.840 -0.016 0.000 0.970 26 L CB 0.426 42.475 42.059 -0.018 0.000 1.314 26 L HN 0.362 nan 8.230 nan 0.000 0.427 27 G N 1.849 110.656 108.800 0.012 0.000 2.504 27 G HA2 0.336 4.295 3.960 -0.001 0.000 0.288 27 G HA3 0.336 4.295 3.960 -0.001 0.000 0.288 27 G C 0.571 175.496 174.900 0.041 0.000 1.182 27 G CA 0.024 45.141 45.100 0.028 0.000 0.894 27 G HN 0.522 nan 8.290 nan 0.000 0.521 28 T N -0.208 114.380 114.554 0.057 0.000 2.746 28 T HA -0.136 4.214 4.350 -0.001 0.000 0.267 28 T C 2.596 177.344 174.700 0.080 0.000 1.039 28 T CA 2.346 64.493 62.100 0.078 0.000 1.142 28 T CB -0.207 68.721 68.868 0.100 0.000 0.866 28 T HN 0.729 nan 8.240 nan 0.000 0.444 29 T N -2.171 112.443 114.554 0.101 0.000 2.999 29 T HA 0.267 4.617 4.350 -0.001 0.000 0.247 29 T C 0.140 174.769 174.700 -0.119 0.000 1.012 29 T CA -0.286 61.845 62.100 0.051 0.000 1.048 29 T CB 0.007 68.955 68.868 0.134 0.000 1.020 29 T HN 0.292 nan 8.240 nan 0.000 0.478 30 Y N 0.914 121.251 120.300 0.061 0.000 2.512 30 Y HA 0.712 5.262 4.550 -0.000 0.000 0.348 30 Y C -0.102 175.809 175.900 0.020 0.000 0.990 30 Y CA -1.044 57.081 58.100 0.041 0.000 1.033 30 Y CB 2.625 41.101 38.460 0.026 0.000 1.259 30 Y HN 0.033 nan 8.280 nan 0.000 0.461 31 S N 0.832 116.629 115.700 0.161 0.000 2.600 31 S HA 0.727 5.197 4.470 -0.001 0.000 0.300 31 S C -1.469 173.175 174.600 0.073 0.000 1.087 31 S CA -0.666 57.584 58.200 0.084 0.000 0.965 31 S CB 1.957 65.178 63.200 0.035 0.000 1.089 31 S HN 0.735 nan 8.310 nan 0.000 0.496 32 C N 1.877 121.198 119.300 0.034 0.000 2.985 32 C HA 0.824 5.284 4.460 -0.001 0.000 0.332 32 C C -1.122 173.863 174.990 -0.008 0.000 1.164 32 C CA -0.292 58.734 59.018 0.013 0.000 1.347 32 C CB 0.711 28.461 27.740 0.018 0.000 1.764 32 C HN 0.757 nan 8.230 nan 0.000 0.489 33 V N 4.851 124.745 119.914 -0.033 0.000 2.709 33 V HA 0.928 5.048 4.120 -0.001 0.000 0.308 33 V C 0.106 176.158 176.094 -0.069 0.000 1.062 33 V CA 0.653 62.926 62.300 -0.044 0.000 0.901 33 V CB 1.819 33.613 31.823 -0.049 0.000 1.003 33 V HN 1.304 nan 8.190 nan 0.000 0.425 34 G N 4.589 113.359 108.800 -0.050 0.000 2.416 34 G HA2 0.720 4.679 3.960 -0.001 0.000 0.329 34 G HA3 0.720 4.679 3.960 -0.001 0.000 0.329 34 G C -0.813 174.071 174.900 -0.027 0.000 1.173 34 G CA -0.062 45.002 45.100 -0.060 0.000 0.929 34 G HN 1.529 nan 8.290 nan 0.000 0.475 35 V N -1.344 118.568 119.914 -0.003 0.000 3.158 35 V HA 0.778 4.897 4.120 -0.001 0.000 0.311 35 V C -1.259 174.936 176.094 0.168 0.000 1.181 35 V CA -1.558 60.797 62.300 0.092 0.000 1.054 35 V CB 2.357 34.252 31.823 0.119 0.000 1.085 35 V HN 0.791 nan 8.190 nan 0.000 0.446 36 W N 2.293 123.577 121.300 -0.027 0.000 2.362 36 W HA 0.664 5.324 4.660 -0.000 0.000 0.316 36 W C -0.739 175.778 176.519 -0.003 0.000 1.024 36 W CA -0.554 56.768 57.345 -0.039 0.000 1.270 36 W CB 1.777 31.209 29.460 -0.047 0.000 1.273 36 W HN 0.692 nan 8.180 nan 0.000 0.424 37 R N 4.801 125.212 120.500 -0.148 0.000 2.621 37 R HA 0.196 4.536 4.340 -0.001 0.000 0.292 37 R C 0.185 176.335 176.300 -0.250 0.000 0.969 37 R CA -0.794 55.237 56.100 -0.115 0.000 0.887 37 R CB 1.510 31.775 30.300 -0.058 0.000 1.180 37 R HN 0.489 nan 8.270 nan 0.000 0.450 38 N N 2.236 120.836 118.700 -0.167 0.000 2.721 38 N HA -0.203 4.536 4.740 -0.001 0.000 0.249 38 N C -0.891 174.458 175.510 -0.269 0.000 1.072 38 N CA 1.425 54.377 53.050 -0.164 0.000 0.710 38 N CB -0.899 37.507 38.487 -0.136 0.000 0.993 38 N HN 0.849 nan 8.380 nan 0.000 0.547 39 D N -2.413 117.747 120.400 -0.400 0.000 2.945 39 D HA -0.169 4.471 4.640 -0.001 0.000 0.225 39 D C 0.275 176.007 176.300 -0.947 0.000 1.158 39 D CA 1.910 55.607 54.000 -0.505 0.000 0.805 39 D CB -1.353 39.409 40.800 -0.062 0.000 1.098 39 D HN 0.795 nan 8.370 nan 0.000 0.426 40 T N -5.038 108.790 114.554 -1.210 0.000 2.812 40 T HA 0.673 5.023 4.350 -0.001 0.000 0.294 40 T C -0.170 173.944 174.700 -0.978 0.000 1.159 40 T CA -0.907 60.578 62.100 -1.025 0.000 1.008 40 T CB 2.209 70.816 68.868 -0.434 0.000 1.289 40 T HN -0.162 nan 8.240 nan 0.000 0.514 41 V N 1.590 121.138 119.914 -0.609 0.000 2.439 41 V HA 0.491 4.611 4.120 -0.001 0.000 0.282 41 V C -0.709 175.242 176.094 -0.239 0.000 1.039 41 V CA -0.407 61.627 62.300 -0.444 0.000 0.913 41 V CB 1.147 32.437 31.823 -0.889 0.000 0.983 41 V HN 0.883 nan 8.190 nan 0.000 0.460 42 D N 3.870 124.199 120.400 -0.119 0.000 2.278 42 D HA 0.496 5.135 4.640 -0.001 0.000 0.245 42 D C -0.458 175.799 176.300 -0.072 0.000 1.052 42 D CA -0.323 53.669 54.000 -0.014 0.000 0.834 42 D CB 1.616 42.512 40.800 0.161 0.000 1.194 42 D HN 0.191 nan 8.370 nan 0.000 0.481 43 I N 2.441 122.972 120.570 -0.066 0.000 2.342 43 I HA 0.193 4.363 4.170 -0.001 0.000 0.291 43 I C 0.114 176.076 176.117 -0.258 0.000 1.010 43 I CA -0.691 60.542 61.300 -0.111 0.000 1.308 43 I CB 1.207 39.192 38.000 -0.024 0.000 1.400 43 I HN 0.060 nan 8.210 nan 0.000 0.488 44 V N 9.120 128.815 119.914 -0.365 0.000 2.432 44 V HA 0.198 4.317 4.120 -0.001 0.000 0.271 44 V C -2.007 173.910 176.094 -0.296 0.000 1.046 44 V CA -1.440 60.498 62.300 -0.602 0.000 0.945 44 V CB 0.854 32.337 31.823 -0.566 0.000 0.992 44 V HN 0.598 nan 8.190 nan 0.000 0.471 45 P HA 0.172 nan 4.420 nan 0.000 0.271 45 P C -0.490 176.782 177.300 -0.047 0.000 1.216 45 P CA -0.302 62.753 63.100 -0.074 0.000 0.776 45 P CB 0.507 32.206 31.700 -0.002 0.000 0.881 46 N N 0.368 119.055 118.700 -0.022 0.000 2.374 46 N HA 0.127 4.866 4.740 -0.001 0.000 0.284 46 N C 1.011 176.526 175.510 0.009 0.000 1.280 46 N CA 0.289 53.336 53.050 -0.005 0.000 0.963 46 N CB -1.213 37.274 38.487 0.000 0.000 1.141 46 N HN 0.325 nan 8.380 nan 0.000 0.565 47 D N -1.938 118.468 120.400 0.010 0.000 2.348 47 D HA -0.071 4.568 4.640 -0.001 0.000 0.216 47 D C 1.125 177.430 176.300 0.009 0.000 0.970 47 D CA 0.693 54.701 54.000 0.013 0.000 0.889 47 D CB -0.435 40.371 40.800 0.009 0.000 0.912 47 D HN 0.487 nan 8.370 nan 0.000 0.524 48 Q N -0.944 118.860 119.800 0.007 0.000 2.365 48 Q HA 0.264 4.604 4.340 -0.001 0.000 0.203 48 Q C 1.799 177.803 176.000 0.007 0.000 0.929 48 Q CA 0.602 56.408 55.803 0.005 0.000 0.948 48 Q CB 0.391 29.132 28.738 0.005 0.000 1.043 48 Q HN 0.674 nan 8.270 nan 0.000 0.505 49 G N 1.718 110.524 108.800 0.010 0.000 2.166 49 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.260 49 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.260 49 G C 0.076 174.977 174.900 0.002 0.000 0.986 49 G CA 0.220 45.326 45.100 0.010 0.000 0.683 49 G HN 0.310 nan 8.290 nan 0.000 0.527 50 N N -0.625 118.075 118.700 0.000 0.000 2.492 50 N HA 0.496 5.236 4.740 -0.001 0.000 0.289 50 N C 1.123 176.625 175.510 -0.012 0.000 1.133 50 N CA -0.534 52.513 53.050 -0.006 0.000 0.961 50 N CB 0.991 39.482 38.487 0.006 0.000 1.186 50 N HN 0.241 nan 8.380 nan 0.000 0.493 51 R N -0.669 119.816 120.500 -0.024 0.000 2.334 51 R HA 0.084 4.424 4.340 -0.001 0.000 0.216 51 R C 0.102 176.392 176.300 -0.016 0.000 0.905 51 R CA 0.300 56.380 56.100 -0.034 0.000 1.064 51 R CB 0.266 30.543 30.300 -0.040 0.000 1.046 51 R HN 0.630 nan 8.270 nan 0.000 0.508 52 T N -2.071 112.486 114.554 0.004 0.000 2.841 52 T HA 0.438 4.787 4.350 -0.001 0.000 0.283 52 T C -0.218 174.598 174.700 0.193 0.000 1.000 52 T CA -0.676 61.468 62.100 0.073 0.000 0.977 52 T CB 2.561 71.410 68.868 -0.032 0.000 0.979 52 T HN -0.256 nan 8.240 nan 0.000 0.446 53 T N 4.914 119.597 114.554 0.216 0.000 2.792 53 T HA 0.533 4.883 4.350 -0.001 0.000 0.280 53 T C -2.733 172.020 174.700 0.089 0.000 0.990 53 T CA -1.274 60.914 62.100 0.146 0.000 0.960 53 T CB 1.414 70.312 68.868 0.050 0.000 0.939 53 T HN 0.446 nan 8.240 nan 0.000 0.439 54 P HA 0.085 nan 4.420 nan 0.000 0.264 54 P C -0.198 177.052 177.300 -0.083 0.000 1.183 54 P CA -0.062 62.812 63.100 -0.377 0.000 0.763 54 P CB 0.318 31.791 31.700 -0.379 0.000 0.807 55 S N 2.218 117.888 115.700 -0.050 0.000 4.069 55 S HA 0.188 4.658 4.470 -0.001 0.000 0.192 55 S C -0.493 174.087 174.600 -0.033 0.000 1.441 55 S CA 0.159 58.345 58.200 -0.024 0.000 0.994 55 S CB -1.283 61.897 63.200 -0.034 0.000 1.456 55 S HN 0.315 nan 8.310 nan 0.000 0.458 56 Y N 0.013 120.225 120.300 -0.147 0.000 2.462 56 Y HA 0.603 5.153 4.550 -0.000 0.000 0.346 56 Y C -0.041 175.738 175.900 -0.201 0.000 0.976 56 Y CA -0.844 57.174 58.100 -0.137 0.000 1.044 56 Y CB 1.575 39.946 38.460 -0.148 0.000 1.230 56 Y HN 0.029 nan 8.280 nan 0.000 0.455 57 V N 2.328 122.151 119.914 -0.151 0.000 2.925 57 V HA 0.935 5.054 4.120 -0.001 0.000 0.311 57 V C -0.893 174.927 176.094 -0.457 0.000 1.104 57 V CA -0.911 61.169 62.300 -0.367 0.000 0.954 57 V CB 1.898 33.415 31.823 -0.509 0.000 1.022 57 V HN 0.838 nan 8.190 nan 0.000 0.427 58 A N 3.048 125.480 122.820 -0.647 0.000 2.515 58 A HA 0.969 5.288 4.320 -0.001 0.000 0.298 58 A C -1.640 175.440 177.584 -0.840 0.000 1.059 58 A CA -0.405 51.310 52.037 -0.536 0.000 0.698 58 A CB 1.469 20.358 19.000 -0.185 0.000 1.289 58 A HN 0.600 nan 8.150 nan 0.000 0.404 59 F N 0.772 120.662 119.950 -0.099 0.000 2.520 59 F HA 0.702 5.229 4.527 -0.000 0.000 0.322 59 F C 0.928 176.783 175.800 0.092 0.000 1.103 59 F CA -0.110 57.834 58.000 -0.093 0.000 0.926 59 F CB 2.705 41.563 39.000 -0.236 0.000 1.154 59 F HN 0.766 nan 8.300 nan 0.000 0.453 60 T N -1.884 112.869 114.554 0.332 0.000 2.676 60 T HA 0.413 4.762 4.350 -0.001 0.000 0.269 60 T C 0.581 175.441 174.700 0.267 0.000 0.952 60 T CA -0.568 61.676 62.100 0.240 0.000 1.040 60 T CB 1.333 70.288 68.868 0.144 0.000 1.352 60 T HN 0.397 nan 8.240 nan 0.000 0.554 61 E N 0.380 120.675 120.200 0.159 0.000 2.274 61 E HA 0.077 4.427 4.350 -0.001 0.000 0.194 61 E C 1.778 178.426 176.600 0.081 0.000 0.996 61 E CA 1.614 58.078 56.400 0.108 0.000 0.840 61 E CB -0.143 29.599 29.700 0.070 0.000 0.772 61 E HN 0.853 nan 8.360 nan 0.000 0.491 62 T N -3.011 111.603 114.554 0.101 0.000 2.975 62 T HA 0.167 4.516 4.350 -0.001 0.000 0.261 62 T C 0.375 175.139 174.700 0.106 0.000 0.984 62 T CA -0.358 61.785 62.100 0.071 0.000 0.911 62 T CB 0.169 69.070 68.868 0.053 0.000 1.127 62 T HN 0.214 nan 8.240 nan 0.000 0.514 63 E N 0.881 121.188 120.200 0.180 0.000 2.458 63 E HA 0.614 4.964 4.350 -0.001 0.000 0.278 63 E C -1.307 175.468 176.600 0.292 0.000 1.004 63 E CA -1.357 55.162 56.400 0.199 0.000 0.823 63 E CB 1.568 31.327 29.700 0.098 0.000 1.396 63 E HN 0.131 nan 8.360 nan 0.000 0.463 64 R N 1.577 122.187 120.500 0.183 0.000 2.740 64 R HA 0.583 4.923 4.340 -0.001 0.000 0.282 64 R C -1.551 174.671 176.300 -0.130 0.000 0.969 64 R CA -0.827 55.232 56.100 -0.068 0.000 0.918 64 R CB 0.811 31.002 30.300 -0.183 0.000 1.175 64 R HN 0.658 nan 8.270 nan 0.000 0.464 65 L N 3.195 124.271 121.223 -0.246 0.000 2.362 65 L HA 0.590 4.930 4.340 -0.001 0.000 0.271 65 L C -0.399 176.337 176.870 -0.223 0.000 1.002 65 L CA -1.265 53.471 54.840 -0.174 0.000 0.818 65 L CB 1.935 43.916 42.059 -0.131 0.000 1.298 65 L HN 0.440 nan 8.230 nan 0.000 0.420 66 I N 1.126 121.608 120.570 -0.147 0.000 2.608 66 I HA 0.713 4.883 4.170 -0.001 0.000 0.295 66 I C 0.670 176.738 176.117 -0.081 0.000 1.049 66 I CA -0.279 60.944 61.300 -0.128 0.000 1.063 66 I CB 1.014 38.948 38.000 -0.110 0.000 1.248 66 I HN 0.829 nan 8.210 nan 0.000 0.424 67 G N 5.753 114.518 108.800 -0.058 0.000 2.509 67 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.259 67 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.259 67 G C 0.603 175.442 174.900 -0.101 0.000 1.169 67 G CA 0.402 45.468 45.100 -0.057 0.000 0.953 67 G HN 0.527 nan 8.290 nan 0.000 0.563 68 D N 0.800 121.146 120.400 -0.091 0.000 2.097 68 D HA -0.028 4.611 4.640 -0.001 0.000 0.195 68 D C 2.879 179.107 176.300 -0.121 0.000 0.989 68 D CA 2.195 56.127 54.000 -0.114 0.000 0.827 68 D CB -0.611 40.152 40.800 -0.060 0.000 0.966 68 D HN 0.769 nan 8.370 nan 0.000 0.456 69 A N 1.358 124.127 122.820 -0.086 0.000 1.908 69 A HA -0.145 4.175 4.320 -0.001 0.000 0.218 69 A C 2.347 179.877 177.584 -0.090 0.000 1.181 69 A CA 2.444 54.435 52.037 -0.075 0.000 0.627 69 A CB -0.644 18.322 19.000 -0.057 0.000 0.818 69 A HN 0.269 nan 8.150 nan 0.000 0.445 70 A N -0.420 122.339 122.820 -0.101 0.000 1.855 70 A HA -0.149 4.171 4.320 -0.001 0.000 0.215 70 A C 2.156 179.674 177.584 -0.110 0.000 1.191 70 A CA 1.948 53.937 52.037 -0.081 0.000 0.613 70 A CB -0.504 18.464 19.000 -0.053 0.000 0.829 70 A HN 0.535 nan 8.150 nan 0.000 0.442 71 K N -0.474 119.745 120.400 -0.301 0.000 2.063 71 K HA -0.200 4.120 4.320 -0.001 0.000 0.208 71 K C 1.575 177.972 176.600 -0.339 0.000 1.048 71 K CA 1.659 57.553 56.287 -0.656 0.000 0.928 71 K CB -0.205 31.716 32.500 -0.965 0.000 0.713 71 K HN 0.407 nan 8.250 nan 0.000 0.442 72 N N 1.160 119.732 118.700 -0.214 0.000 2.309 72 N HA -0.154 4.585 4.740 -0.001 0.000 0.182 72 N C 1.275 176.737 175.510 -0.081 0.000 1.018 72 N CA 1.193 54.164 53.050 -0.131 0.000 0.876 72 N CB -0.029 38.402 38.487 -0.093 0.000 0.972 72 N HN 0.447 nan 8.380 nan 0.000 0.434 73 Q N -0.239 119.524 119.800 -0.062 0.000 2.246 73 Q HA 0.222 4.562 4.340 -0.001 0.000 0.202 73 Q C 1.407 177.412 176.000 0.008 0.000 0.883 73 Q CA 0.025 55.816 55.803 -0.020 0.000 0.952 73 Q CB -0.248 28.484 28.738 -0.009 0.000 1.078 73 Q HN 0.001 nan 8.270 nan 0.000 0.493 74 V N 0.660 120.575 119.914 0.002 0.000 2.324 74 V HA -0.306 3.813 4.120 -0.001 0.000 0.250 74 V C 2.096 178.237 176.094 0.078 0.000 1.060 74 V CA 2.342 64.682 62.300 0.067 0.000 1.042 74 V CB -0.734 31.137 31.823 0.081 0.000 0.650 74 V HN 0.579 nan 8.190 nan 0.000 0.450 75 A N -0.214 122.632 122.820 0.044 0.000 1.972 75 A HA -0.174 4.145 4.320 -0.001 0.000 0.219 75 A C 2.241 179.858 177.584 0.054 0.000 1.169 75 A CA 1.678 53.745 52.037 0.050 0.000 0.635 75 A CB -0.512 18.506 19.000 0.029 0.000 0.810 75 A HN 0.636 nan 8.150 nan 0.000 0.446 76 R N -1.353 119.175 120.500 0.047 0.000 2.276 76 R HA 0.015 4.355 4.340 -0.001 0.000 0.203 76 R C 0.144 176.482 176.300 0.064 0.000 1.017 76 R CA 0.995 57.124 56.100 0.048 0.000 1.010 76 R CB -0.031 30.290 30.300 0.035 0.000 0.900 76 R HN 0.493 nan 8.270 nan 0.000 0.469 77 N N -0.348 118.401 118.700 0.081 0.000 2.679 77 N HA 0.089 4.828 4.740 -0.001 0.000 0.240 77 N C -2.326 173.267 175.510 0.137 0.000 1.537 77 N CA -1.195 51.916 53.050 0.102 0.000 0.793 77 N CB 0.993 39.535 38.487 0.092 0.000 1.391 77 N HN -0.193 nan 8.380 nan 0.000 0.524 78 P HA -0.020 nan 4.420 nan 0.000 0.222 78 P C 0.568 178.011 177.300 0.238 0.000 1.153 78 P CA 0.973 64.193 63.100 0.200 0.000 0.798 78 P CB 0.545 32.349 31.700 0.173 0.000 0.796 79 E N -0.199 120.119 120.200 0.196 0.000 2.274 79 E HA -0.046 4.304 4.350 -0.001 0.000 0.194 79 E C 0.760 177.505 176.600 0.243 0.000 0.996 79 E CA 0.593 57.119 56.400 0.210 0.000 0.840 79 E CB -0.242 29.551 29.700 0.156 0.000 0.772 79 E HN 0.314 nan 8.360 nan 0.000 0.491 80 N N 0.369 119.205 118.700 0.226 0.000 2.235 80 N HA 0.050 4.790 4.740 -0.001 0.000 0.231 80 N C -0.795 174.856 175.510 0.234 0.000 1.177 80 N CA 0.208 53.409 53.050 0.252 0.000 0.874 80 N CB 1.508 40.146 38.487 0.251 0.000 1.097 80 N HN -0.131 nan 8.380 nan 0.000 0.518 81 T N 1.119 115.798 114.554 0.208 0.000 2.788 81 T HA 0.386 4.736 4.350 -0.001 0.000 0.296 81 T C 0.063 174.835 174.700 0.119 0.000 1.009 81 T CA -0.343 61.853 62.100 0.159 0.000 0.949 81 T CB 1.910 70.919 68.868 0.236 0.000 0.946 81 T HN -0.256 nan 8.240 nan 0.000 0.453 82 V N 5.882 125.694 119.914 -0.169 0.000 2.483 82 V HA 0.805 4.925 4.120 -0.001 0.000 0.295 82 V C -0.373 175.405 176.094 -0.527 0.000 1.035 82 V CA -0.782 61.114 62.300 -0.674 0.000 0.896 82 V CB 0.623 32.009 31.823 -0.729 0.000 0.986 82 V HN 0.873 nan 8.190 nan 0.000 0.447 83 F N 0.301 119.782 119.950 -0.782 0.000 2.789 83 F HA 0.707 5.233 4.527 -0.000 0.000 0.319 83 F C 0.119 175.610 175.800 -0.515 0.000 1.168 83 F CA -1.182 56.361 58.000 -0.761 0.000 0.934 83 F CB 1.047 39.298 39.000 -1.247 0.000 1.375 83 F HN 0.396 nan 8.300 nan 0.000 0.480 84 D N -0.173 120.122 120.400 -0.176 0.000 2.983 84 D HA -0.220 4.420 4.640 -0.001 0.000 0.225 84 D C 1.393 177.569 176.300 -0.208 0.000 1.174 84 D CA 1.064 55.008 54.000 -0.092 0.000 0.831 84 D CB -1.145 39.672 40.800 0.029 0.000 1.104 84 D HN 0.916 nan 8.370 nan 0.000 0.421 85 A N 0.113 122.770 122.820 -0.273 0.000 2.024 85 A HA -0.228 4.092 4.320 -0.001 0.000 0.220 85 A C 2.067 179.630 177.584 -0.035 0.000 1.164 85 A CA 2.042 53.954 52.037 -0.208 0.000 0.643 85 A CB -0.290 18.583 19.000 -0.213 0.000 0.806 85 A HN 0.342 nan 8.150 nan 0.000 0.451 86 K N -0.285 120.134 120.400 0.032 0.000 2.280 86 K HA -0.088 4.231 4.320 -0.001 0.000 0.202 86 K C 1.891 178.618 176.600 0.213 0.000 1.047 86 K CA 1.059 57.434 56.287 0.146 0.000 0.942 86 K CB -0.105 32.486 32.500 0.151 0.000 0.739 86 K HN 0.489 nan 8.250 nan 0.000 0.457 87 R N -0.224 120.396 120.500 0.200 0.000 2.275 87 R HA 0.059 4.399 4.340 -0.001 0.000 0.199 87 R C 1.672 178.116 176.300 0.241 0.000 0.989 87 R CA 0.433 56.694 56.100 0.268 0.000 1.016 87 R CB 0.187 30.736 30.300 0.415 0.000 0.918 87 R HN 0.216 nan 8.270 nan 0.000 0.473 88 L N -0.030 121.294 121.223 0.168 0.000 2.537 88 L HA 0.237 4.577 4.340 -0.001 0.000 0.224 88 L C 0.947 177.850 176.870 0.056 0.000 1.065 88 L CA -0.295 54.627 54.840 0.137 0.000 0.860 88 L CB 0.395 42.528 42.059 0.122 0.000 1.086 88 L HN 0.107 nan 8.230 nan 0.000 0.482 89 I N 1.137 121.725 120.570 0.029 0.000 2.741 89 I HA 0.017 4.186 4.170 -0.001 0.000 0.288 89 I C 1.313 177.374 176.117 -0.094 0.000 1.192 89 I CA 1.135 62.429 61.300 -0.009 0.000 1.426 89 I CB 0.491 38.508 38.000 0.028 0.000 1.367 89 I HN 0.406 nan 8.210 nan 0.000 0.563 90 G N 5.844 114.598 108.800 -0.076 0.000 2.168 90 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.263 90 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.263 90 G C 0.421 175.262 174.900 -0.098 0.000 0.977 90 G CA 0.094 45.128 45.100 -0.110 0.000 0.659 90 G HN 0.645 nan 8.290 nan 0.000 0.533 91 R N -0.392 120.076 120.500 -0.054 0.000 2.782 91 R HA 0.638 4.977 4.340 -0.001 0.000 0.258 91 R C 0.114 176.429 176.300 0.025 0.000 1.055 91 R CA -0.816 55.270 56.100 -0.024 0.000 1.065 91 R CB 1.071 31.366 30.300 -0.008 0.000 1.172 91 R HN 0.158 nan 8.270 nan 0.000 0.510 92 K N 0.644 121.065 120.400 0.035 0.000 2.098 92 K HA 0.147 4.467 4.320 -0.001 0.000 0.258 92 K C 0.589 177.259 176.600 0.118 0.000 0.973 92 K CA -0.362 55.972 56.287 0.078 0.000 0.898 92 K CB 0.923 33.457 32.500 0.056 0.000 1.057 92 K HN 0.402 nan 8.250 nan 0.000 0.447 93 F N 2.427 122.396 119.950 0.032 0.000 2.134 93 F HA -0.183 4.344 4.527 -0.000 0.000 0.299 93 F C 1.313 177.132 175.800 0.031 0.000 1.097 93 F CA 1.832 59.859 58.000 0.045 0.000 1.264 93 F CB 0.107 39.134 39.000 0.045 0.000 1.001 93 F HN 0.655 nan 8.300 nan 0.000 0.479 94 D N -1.125 119.310 120.400 0.059 0.000 2.336 94 D HA 0.013 4.653 4.640 -0.001 0.000 0.228 94 D C -0.307 175.950 176.300 -0.072 0.000 1.120 94 D CA -0.189 53.778 54.000 -0.056 0.000 0.839 94 D CB -1.094 39.763 40.800 0.095 0.000 0.932 94 D HN 0.101 nan 8.370 nan 0.000 0.509 95 D N 1.116 121.473 120.400 -0.071 0.000 2.443 95 D HA -0.065 4.575 4.640 -0.001 0.000 0.239 95 D C 1.211 177.453 176.300 -0.096 0.000 1.136 95 D CA 0.093 54.058 54.000 -0.059 0.000 0.879 95 D CB 1.191 41.970 40.800 -0.035 0.000 1.195 95 D HN 0.142 nan 8.370 nan 0.000 0.443 96 Q N 1.877 121.634 119.800 -0.071 0.000 2.050 96 Q HA -0.189 4.150 4.340 -0.001 0.000 0.202 96 Q C 1.799 177.747 176.000 -0.087 0.000 0.980 96 Q CA 1.527 57.282 55.803 -0.080 0.000 0.840 96 Q CB 0.020 28.726 28.738 -0.053 0.000 0.898 96 Q HN 0.610 nan 8.270 nan 0.000 0.424 97 A N -0.111 122.676 122.820 -0.055 0.000 1.908 97 A HA -0.177 4.143 4.320 -0.001 0.000 0.218 97 A C 2.208 179.748 177.584 -0.074 0.000 1.181 97 A CA 1.701 53.718 52.037 -0.033 0.000 0.627 97 A CB -0.875 18.130 19.000 0.008 0.000 0.818 97 A HN 0.307 nan 8.150 nan 0.000 0.445 98 V N 0.043 119.909 119.914 -0.080 0.000 2.255 98 V HA -0.292 3.827 4.120 -0.001 0.000 0.247 98 V C 2.723 178.667 176.094 -0.249 0.000 1.051 98 V CA 2.118 64.352 62.300 -0.109 0.000 1.018 98 V CB -0.838 30.932 31.823 -0.088 0.000 0.641 98 V HN 0.559 nan 8.190 nan 0.000 0.445 99 Q N -0.493 119.141 119.800 -0.277 0.000 2.181 99 Q HA -0.178 4.162 4.340 -0.001 0.000 0.205 99 Q C 2.539 178.363 176.000 -0.294 0.000 0.980 99 Q CA 1.955 57.572 55.803 -0.309 0.000 0.862 99 Q CB -0.624 27.958 28.738 -0.259 0.000 0.905 99 Q HN 0.630 nan 8.270 nan 0.000 0.429 100 S N 0.627 116.175 115.700 -0.252 0.000 2.357 100 S HA -0.120 4.350 4.470 -0.001 0.000 0.221 100 S C 1.304 175.677 174.600 -0.377 0.000 1.031 100 S CA 1.070 59.117 58.200 -0.255 0.000 0.982 100 S CB 0.029 63.139 63.200 -0.149 0.000 0.853 100 S HN 0.246 nan 8.310 nan 0.000 0.458 101 D N 1.224 121.358 120.400 -0.443 0.000 2.117 101 D HA -0.060 4.580 4.640 -0.001 0.000 0.197 101 D C 1.906 177.393 176.300 -1.354 0.000 0.987 101 D CA 1.050 54.565 54.000 -0.808 0.000 0.829 101 D CB -0.387 39.889 40.800 -0.874 0.000 0.961 101 D HN 0.435 nan 8.370 nan 0.000 0.460 102 M N 0.421 119.425 119.600 -0.993 0.000 2.260 102 M HA -0.149 4.330 4.480 -0.001 0.000 0.261 102 M C 2.001 178.010 176.300 -0.485 0.000 1.066 102 M CA 1.622 56.557 55.300 -0.609 0.000 1.082 102 M CB -0.440 32.003 32.600 -0.261 0.000 1.388 102 M HN 0.087 nan 8.290 nan 0.000 0.419 103 T N -3.735 110.487 114.554 -0.554 0.000 3.113 103 T HA -0.097 4.253 4.350 -0.001 0.000 0.263 103 T C 0.878 175.221 174.700 -0.595 0.000 1.143 103 T CA 1.023 62.808 62.100 -0.526 0.000 1.090 103 T CB -0.541 67.970 68.868 -0.595 0.000 0.922 103 T HN 0.539 nan 8.240 nan 0.000 0.521 104 H N -1.543 117.300 119.070 -0.378 0.000 2.755 104 H HA 0.322 4.878 4.556 -0.000 0.000 0.273 104 H C -0.417 174.845 175.328 -0.110 0.000 1.055 104 H CA -0.845 55.060 56.048 -0.238 0.000 1.191 104 H CB 0.341 29.959 29.762 -0.240 0.000 1.536 104 H HN 0.299 nan 8.280 nan 0.000 0.529 105 W N 1.587 122.768 121.300 -0.198 0.000 2.433 105 W HA 0.279 4.939 4.660 -0.001 0.000 0.315 105 W C -2.015 174.252 176.519 -0.421 0.000 1.087 105 W CA -3.158 53.886 57.345 -0.503 0.000 1.205 105 W CB 0.797 29.505 29.460 -1.253 0.000 1.288 105 W HN 0.025 nan 8.180 nan 0.000 0.504 106 P HA -0.038 nan 4.420 nan 0.000 0.236 106 P C 0.023 177.378 177.300 0.091 0.000 1.177 106 P CA 0.599 63.753 63.100 0.090 0.000 0.773 106 P CB 0.020 31.847 31.700 0.212 0.000 0.878 107 F N -0.780 119.249 119.950 0.132 0.000 2.371 107 F HA 0.510 5.037 4.527 -0.001 0.000 0.329 107 F C 0.570 176.433 175.800 0.106 0.000 1.107 107 F CA -1.910 56.138 58.000 0.081 0.000 1.137 107 F CB 0.454 39.450 39.000 -0.006 0.000 1.214 107 F HN -0.414 nan 8.300 nan 0.000 0.536 108 K N 1.656 122.233 120.400 0.294 0.000 2.205 108 K HA 0.593 4.913 4.320 -0.001 0.000 0.279 108 K C -1.604 175.165 176.600 0.281 0.000 1.027 108 K CA -0.601 55.810 56.287 0.208 0.000 0.932 108 K CB 1.146 33.734 32.500 0.146 0.000 1.032 108 K HN 0.692 nan 8.250 nan 0.000 0.466 109 V N 5.523 125.601 119.914 0.274 0.000 2.483 109 V HA 0.361 4.481 4.120 -0.001 0.000 0.297 109 V C -0.379 175.933 176.094 0.364 0.000 1.027 109 V CA -0.880 61.625 62.300 0.341 0.000 0.855 109 V CB 1.294 33.379 31.823 0.436 0.000 0.995 109 V HN 0.663 nan 8.190 nan 0.000 0.424 110 V N 2.136 122.164 119.914 0.190 0.000 3.113 110 V HA 0.692 4.812 4.120 -0.001 0.000 0.316 110 V C -0.104 175.703 176.094 -0.479 0.000 1.125 110 V CA -1.278 60.971 62.300 -0.086 0.000 1.026 110 V CB 1.894 33.660 31.823 -0.095 0.000 1.080 110 V HN 0.867 nan 8.190 nan 0.000 0.444 111 R N 1.057 120.939 120.500 -1.030 0.000 2.298 111 R HA 0.557 4.897 4.340 -0.001 0.000 0.310 111 R C 0.345 176.425 176.300 -0.368 0.000 1.068 111 R CA 0.412 55.907 56.100 -1.008 0.000 0.957 111 R CB 0.605 30.270 30.300 -1.057 0.000 1.003 111 R HN 1.195 nan 8.270 nan 0.000 0.454 112 G N 4.310 113.004 108.800 -0.176 0.000 2.535 112 G HA2 0.396 4.355 3.960 -0.001 0.000 0.303 112 G HA3 0.396 4.355 3.960 -0.001 0.000 0.303 112 G C -2.525 172.348 174.900 -0.045 0.000 1.237 112 G CA -1.449 43.613 45.100 -0.063 0.000 0.986 112 G HN 0.461 nan 8.290 nan 0.000 0.494 113 P HA 0.146 nan 4.420 nan 0.000 0.269 113 P C -0.312 176.990 177.300 0.004 0.000 1.215 113 P CA 0.136 63.230 63.100 -0.009 0.000 0.780 113 P CB 0.377 32.077 31.700 -0.000 0.000 0.898 114 K N 0.974 121.374 120.400 0.000 0.000 3.069 114 K HA -0.275 4.044 4.320 -0.001 0.000 0.267 114 K C 0.142 176.753 176.600 0.018 0.000 1.082 114 K CA 0.851 57.141 56.287 0.006 0.000 0.782 114 K CB -1.893 30.607 32.500 0.001 0.000 1.230 114 K HN 0.558 nan 8.250 nan 0.000 0.488 115 D N -0.136 120.280 120.400 0.026 0.000 3.012 115 D HA -0.162 4.478 4.640 -0.001 0.000 0.222 115 D C -0.294 176.070 176.300 0.106 0.000 1.167 115 D CA 1.734 55.776 54.000 0.069 0.000 0.854 115 D CB -0.308 40.538 40.800 0.076 0.000 1.107 115 D HN 0.549 nan 8.370 nan 0.000 0.421 116 K N 0.469 120.913 120.400 0.074 0.000 2.201 116 K HA 0.452 4.772 4.320 -0.001 0.000 0.278 116 K C -2.538 174.164 176.600 0.170 0.000 1.027 116 K CA -1.764 54.581 56.287 0.097 0.000 0.909 116 K CB 1.171 33.690 32.500 0.033 0.000 1.062 116 K HN -0.103 nan 8.250 nan 0.000 0.465 117 P HA 0.117 nan 4.420 nan 0.000 0.271 117 P C -0.835 176.620 177.300 0.259 0.000 1.218 117 P CA 0.065 63.361 63.100 0.327 0.000 0.780 117 P CB 0.597 32.502 31.700 0.341 0.000 0.901 118 I N 3.178 123.862 120.570 0.189 0.000 2.478 118 I HA 0.336 4.505 4.170 -0.001 0.000 0.287 118 I C -0.003 176.180 176.117 0.110 0.000 1.042 118 I CA -0.802 60.557 61.300 0.098 0.000 1.067 118 I CB 1.584 39.575 38.000 -0.015 0.000 1.233 118 I HN 0.134 nan 8.210 nan 0.000 0.431 119 I N 4.906 125.534 120.570 0.097 0.000 2.371 119 I HA 0.133 4.303 4.170 -0.001 0.000 0.290 119 I C 0.455 176.601 176.117 0.049 0.000 1.028 119 I CA 0.211 61.576 61.300 0.107 0.000 1.345 119 I CB 1.299 39.318 38.000 0.031 0.000 1.407 119 I HN 0.485 nan 8.210 nan 0.000 0.501 120 S N 7.263 123.002 115.700 0.066 0.000 2.456 120 S HA 0.742 5.212 4.470 -0.001 0.000 0.316 120 S C -0.528 174.094 174.600 0.037 0.000 1.089 120 S CA -0.555 57.646 58.200 0.003 0.000 1.101 120 S CB 0.843 64.048 63.200 0.008 0.000 0.995 120 S HN 0.470 nan 8.310 nan 0.000 0.468 121 V N 2.462 122.365 119.914 -0.019 0.000 3.167 121 V HA 0.739 4.859 4.120 -0.001 0.000 0.310 121 V C -1.026 175.077 176.094 0.014 0.000 1.207 121 V CA -1.266 61.051 62.300 0.028 0.000 1.059 121 V CB 1.825 33.659 31.823 0.018 0.000 1.079 121 V HN 0.751 nan 8.190 nan 0.000 0.446 122 N N 1.160 119.910 118.700 0.083 0.000 2.430 122 N HA 0.626 5.365 4.740 -0.001 0.000 0.292 122 N C -1.675 173.969 175.510 0.223 0.000 1.051 122 N CA -0.107 53.008 53.050 0.108 0.000 0.917 122 N CB 1.592 40.141 38.487 0.104 0.000 1.164 122 N HN 0.915 nan 8.380 nan 0.000 0.484 123 Y N 1.846 122.164 120.300 0.030 0.000 2.348 123 Y HA 0.222 4.772 4.550 -0.000 0.000 0.321 123 Y C -0.170 175.763 175.900 0.056 0.000 1.163 123 Y CA -1.045 57.107 58.100 0.087 0.000 1.070 123 Y CB 0.416 38.894 38.460 0.031 0.000 1.250 123 Y HN 0.530 nan 8.280 nan 0.000 0.425 124 L N 6.188 127.413 121.223 0.003 0.000 3.737 124 L HA -0.312 4.028 4.340 -0.001 0.000 0.418 124 L C 1.116 177.944 176.870 -0.070 0.000 1.216 124 L CA 1.315 56.071 54.840 -0.141 0.000 0.915 124 L CB -1.640 40.181 42.059 -0.396 0.000 1.834 124 L HN 1.277 nan 8.230 nan 0.000 0.943 125 G N -0.383 108.419 108.800 0.002 0.000 2.184 125 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.264 125 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.264 125 G C 0.132 175.027 174.900 -0.009 0.000 0.975 125 G CA 0.880 45.981 45.100 0.002 0.000 0.642 125 G HN 0.854 nan 8.290 nan 0.000 0.536 126 E N -0.819 119.370 120.200 -0.018 0.000 2.392 126 E HA 0.729 5.079 4.350 -0.001 0.000 0.269 126 E C -0.232 176.355 176.600 -0.022 0.000 0.924 126 E CA -1.332 55.050 56.400 -0.029 0.000 0.784 126 E CB 1.488 31.154 29.700 -0.057 0.000 1.292 126 E HN 0.099 nan 8.360 nan 0.000 0.447 127 K N 0.934 121.312 120.400 -0.038 0.000 2.401 127 K HA 0.142 4.462 4.320 -0.001 0.000 0.278 127 K C -0.890 175.643 176.600 -0.111 0.000 1.018 127 K CA -0.140 56.115 56.287 -0.054 0.000 0.981 127 K CB 0.651 33.118 32.500 -0.055 0.000 0.933 127 K HN 0.405 nan 8.250 nan 0.000 0.477 128 K N 2.659 122.958 120.400 -0.167 0.000 2.427 128 K HA 0.217 4.536 4.320 -0.001 0.000 0.252 128 K C -1.486 174.832 176.600 -0.470 0.000 0.931 128 K CA -0.451 55.630 56.287 -0.343 0.000 0.793 128 K CB 1.524 33.802 32.500 -0.369 0.000 1.211 128 K HN 0.467 nan 8.250 nan 0.000 0.426 129 E N 3.028 122.890 120.200 -0.564 0.000 2.179 129 E HA 0.455 4.805 4.350 -0.001 0.000 0.275 129 E C -1.037 175.119 176.600 -0.740 0.000 0.945 129 E CA -0.753 55.353 56.400 -0.489 0.000 0.792 129 E CB 1.248 30.753 29.700 -0.326 0.000 1.125 129 E HN 0.302 nan 8.360 nan 0.000 0.397 130 F N 0.319 120.126 119.950 -0.238 0.000 2.578 130 F HA 0.298 4.824 4.527 -0.000 0.000 0.311 130 F C 0.137 175.823 175.800 -0.190 0.000 1.094 130 F CA -0.747 57.118 58.000 -0.225 0.000 0.923 130 F CB 1.385 40.271 39.000 -0.190 0.000 1.230 130 F HN 0.448 nan 8.300 nan 0.000 0.450 131 H N 0.364 119.526 119.070 0.153 0.000 2.607 131 H HA 0.423 4.979 4.556 -0.001 0.000 0.367 131 H C 0.835 176.199 175.328 0.059 0.000 1.181 131 H CA 0.077 56.176 56.048 0.084 0.000 1.402 131 H CB 1.258 31.055 29.762 0.058 0.000 1.474 131 H HN 0.810 nan 8.280 nan 0.000 0.596 132 A N 1.699 124.619 122.820 0.167 0.000 1.933 132 A HA -0.202 4.118 4.320 -0.001 0.000 0.218 132 A C 2.055 179.655 177.584 0.027 0.000 1.175 132 A CA 1.699 53.762 52.037 0.043 0.000 0.628 132 A CB -0.427 18.591 19.000 0.030 0.000 0.814 132 A HN 0.912 nan 8.150 nan 0.000 0.444 133 E N 0.424 120.662 120.200 0.063 0.000 2.268 133 E HA -0.209 4.141 4.350 -0.001 0.000 0.195 133 E C 1.364 177.990 176.600 0.044 0.000 0.995 133 E CA 1.349 57.774 56.400 0.042 0.000 0.836 133 E CB -0.439 29.282 29.700 0.035 0.000 0.763 133 E HN 0.777 nan 8.360 nan 0.000 0.491 134 E N 0.355 120.605 120.200 0.083 0.000 2.107 134 E HA -0.067 4.283 4.350 -0.001 0.000 0.191 134 E C 2.093 178.643 176.600 -0.084 0.000 0.982 134 E CA 0.531 56.968 56.400 0.062 0.000 0.809 134 E CB 0.085 29.912 29.700 0.212 0.000 0.756 134 E HN 0.232 nan 8.360 nan 0.000 0.459 135 I N 0.897 121.385 120.570 -0.136 0.000 2.202 135 I HA -0.186 3.984 4.170 -0.001 0.000 0.242 135 I C 2.267 178.293 176.117 -0.152 0.000 1.091 135 I CA 1.162 62.327 61.300 -0.225 0.000 1.368 135 I CB -1.140 36.706 38.000 -0.256 0.000 1.058 135 I HN -0.027 nan 8.210 nan 0.000 0.410 136 S N 1.171 116.814 115.700 -0.095 0.000 2.400 136 S HA -0.130 4.339 4.470 -0.001 0.000 0.232 136 S C 2.214 176.787 174.600 -0.046 0.000 1.025 136 S CA 1.244 59.408 58.200 -0.060 0.000 0.993 136 S CB -0.308 62.878 63.200 -0.023 0.000 0.808 136 S HN 0.547 nan 8.310 nan 0.000 0.478 137 A N 1.440 124.238 122.820 -0.035 0.000 1.972 137 A HA -0.083 4.236 4.320 -0.001 0.000 0.219 137 A C 2.102 179.664 177.584 -0.037 0.000 1.169 137 A CA 1.426 53.450 52.037 -0.021 0.000 0.635 137 A CB -0.581 18.421 19.000 0.002 0.000 0.810 137 A HN 0.500 nan 8.150 nan 0.000 0.446 138 M N -0.854 118.703 119.600 -0.071 0.000 2.132 138 M HA -0.116 4.363 4.480 -0.001 0.000 0.263 138 M C 2.072 178.326 176.300 -0.076 0.000 1.065 138 M CA 1.329 56.579 55.300 -0.085 0.000 1.122 138 M CB -0.444 32.066 32.600 -0.149 0.000 1.365 138 M HN 0.240 nan 8.290 nan 0.000 0.411 139 V N 0.842 120.708 119.914 -0.081 0.000 2.343 139 V HA -0.246 3.874 4.120 -0.001 0.000 0.247 139 V C 2.298 178.369 176.094 -0.038 0.000 1.051 139 V CA 1.620 63.883 62.300 -0.061 0.000 1.036 139 V CB -0.696 31.090 31.823 -0.061 0.000 0.654 139 V HN 0.457 nan 8.190 nan 0.000 0.451 140 L N -0.241 120.963 121.223 -0.031 0.000 2.046 140 L HA -0.231 4.109 4.340 -0.001 0.000 0.208 140 L C 2.677 179.538 176.870 -0.015 0.000 1.077 140 L CA 1.816 56.644 54.840 -0.019 0.000 0.747 140 L CB -0.621 41.430 42.059 -0.013 0.000 0.896 140 L HN 0.384 nan 8.230 nan 0.000 0.432 141 Q N 0.941 120.731 119.800 -0.017 0.000 2.096 141 Q HA -0.271 4.069 4.340 -0.001 0.000 0.204 141 Q C 2.052 178.045 176.000 -0.011 0.000 0.982 141 Q CA 1.970 57.767 55.803 -0.010 0.000 0.850 141 Q CB -0.099 28.634 28.738 -0.009 0.000 0.901 141 Q HN 0.163 nan 8.270 nan 0.000 0.422 142 K N -0.528 119.860 120.400 -0.021 0.000 2.026 142 K HA -0.086 4.233 4.320 -0.001 0.000 0.208 142 K C 1.855 178.447 176.600 -0.013 0.000 1.048 142 K CA 1.824 58.099 56.287 -0.019 0.000 0.929 142 K CB -0.202 32.280 32.500 -0.031 0.000 0.713 142 K HN 0.253 nan 8.250 nan 0.000 0.439 143 M N 0.887 120.478 119.600 -0.015 0.000 2.159 143 M HA -0.136 4.344 4.480 -0.001 0.000 0.263 143 M C 2.121 178.415 176.300 -0.010 0.000 1.063 143 M CA 1.637 56.928 55.300 -0.016 0.000 1.110 143 M CB -0.881 31.709 32.600 -0.016 0.000 1.374 143 M HN 0.236 nan 8.290 nan 0.000 0.411 144 K N 0.714 121.111 120.400 -0.005 0.000 2.057 144 K HA -0.153 4.167 4.320 -0.001 0.000 0.206 144 K C 1.768 178.375 176.600 0.011 0.000 1.050 144 K CA 1.377 57.666 56.287 0.004 0.000 0.935 144 K CB 0.085 32.587 32.500 0.004 0.000 0.715 144 K HN 0.356 nan 8.250 nan 0.000 0.439 145 E N 0.932 121.138 120.200 0.009 0.000 2.051 145 E HA -0.196 4.154 4.350 -0.001 0.000 0.192 145 E C 2.092 178.707 176.600 0.024 0.000 0.991 145 E CA 1.708 58.118 56.400 0.016 0.000 0.799 145 E CB -0.328 29.379 29.700 0.011 0.000 0.748 145 E HN 0.553 nan 8.360 nan 0.000 0.449 146 I N -1.061 119.518 120.570 0.015 0.000 2.394 146 I HA -0.169 4.001 4.170 -0.001 0.000 0.251 146 I C 2.062 178.205 176.117 0.045 0.000 1.136 146 I CA 1.124 62.438 61.300 0.023 0.000 1.425 146 I CB -0.147 37.850 38.000 -0.004 0.000 1.079 146 I HN -0.133 nan 8.210 nan 0.000 0.425 147 S N 1.012 116.728 115.700 0.028 0.000 2.383 147 S HA -0.127 4.343 4.470 -0.001 0.000 0.227 147 S C 1.839 176.505 174.600 0.109 0.000 1.026 147 S CA 1.487 59.722 58.200 0.059 0.000 0.981 147 S CB -0.286 62.931 63.200 0.028 0.000 0.818 147 S HN 0.577 nan 8.310 nan 0.000 0.472 148 E N 1.270 121.513 120.200 0.071 0.000 2.072 148 E HA -0.042 4.308 4.350 -0.001 0.000 0.191 148 E C 2.358 179.000 176.600 0.070 0.000 0.985 148 E CA 0.899 57.337 56.400 0.062 0.000 0.801 148 E CB -0.219 29.505 29.700 0.040 0.000 0.750 148 E HN 0.500 nan 8.360 nan 0.000 0.452 149 A N 0.698 123.565 122.820 0.078 0.000 1.873 149 A HA -0.210 4.109 4.320 -0.001 0.000 0.215 149 A C 2.016 179.663 177.584 0.105 0.000 1.186 149 A CA 1.257 53.339 52.037 0.075 0.000 0.616 149 A CB -0.775 18.267 19.000 0.069 0.000 0.823 149 A HN 0.367 nan 8.150 nan 0.000 0.442 150 Y N 0.184 120.485 120.300 0.002 0.000 2.181 150 Y HA -0.093 4.457 4.550 -0.001 0.000 0.288 150 Y C 1.860 177.760 175.900 0.000 0.000 1.146 150 Y CA 1.890 59.990 58.100 0.000 0.000 1.164 150 Y CB -0.074 38.386 38.460 0.000 0.000 0.982 150 Y HN 0.205 nan 8.280 nan 0.000 0.515 151 L N -1.245 120.054 121.223 0.126 0.000 2.477 151 L HA 0.194 4.534 4.340 -0.001 0.000 0.220 151 L C 1.555 178.429 176.870 0.006 0.000 1.106 151 L CA 0.602 55.471 54.840 0.048 0.000 0.851 151 L CB -0.465 41.654 42.059 0.100 0.000 0.994 151 L HN 0.395 nan 8.230 nan 0.000 0.462 152 G N 1.968 110.776 108.800 0.014 0.000 2.246 152 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.273 152 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.273 152 G C 0.170 175.078 174.900 0.013 0.000 1.055 152 G CA 0.673 45.776 45.100 0.004 0.000 0.851 152 G HN 0.569 nan 8.290 nan 0.000 0.500 153 R N -1.981 118.534 120.500 0.025 0.000 2.712 153 R HA 0.615 4.955 4.340 -0.001 0.000 0.272 153 R C -0.432 175.884 176.300 0.027 0.000 1.032 153 R CA -1.004 55.110 56.100 0.023 0.000 0.874 153 R CB 0.673 30.986 30.300 0.022 0.000 1.256 153 R HN 0.217 nan 8.270 nan 0.000 0.468 154 Q N 1.360 121.173 119.800 0.021 0.000 2.364 154 Q HA 0.261 4.601 4.340 -0.001 0.000 0.267 154 Q C -0.906 175.107 176.000 0.021 0.000 0.999 154 Q CA 0.193 56.008 55.803 0.020 0.000 0.886 154 Q CB 0.640 29.387 28.738 0.015 0.000 1.243 154 Q HN 0.501 nan 8.270 nan 0.000 0.415 155 I N 3.870 124.452 120.570 0.020 0.000 2.533 155 I HA 0.230 4.400 4.170 -0.001 0.000 0.290 155 I C 0.362 176.485 176.117 0.011 0.000 1.056 155 I CA -0.474 60.836 61.300 0.018 0.000 1.057 155 I CB 1.915 39.929 38.000 0.023 0.000 1.240 155 I HN 0.699 nan 8.210 nan 0.000 0.423 156 K N 2.573 122.977 120.400 0.006 0.000 2.403 156 K HA 0.254 4.574 4.320 -0.001 0.000 0.199 156 K C -0.000 176.597 176.600 -0.004 0.000 1.199 156 K CA 0.063 56.351 56.287 0.002 0.000 0.924 156 K CB 0.491 32.992 32.500 0.001 0.000 1.137 156 K HN 0.475 nan 8.250 nan 0.000 0.510 157 N N 1.356 120.051 118.700 -0.009 0.000 2.499 157 N HA 0.323 5.063 4.740 -0.001 0.000 0.281 157 N C -0.883 174.615 175.510 -0.020 0.000 1.098 157 N CA 0.087 53.126 53.050 -0.018 0.000 0.979 157 N CB 1.699 40.170 38.487 -0.027 0.000 1.121 157 N HN 0.096 nan 8.380 nan 0.000 0.466 158 A N 1.197 124.003 122.820 -0.023 0.000 2.520 158 A HA 0.530 4.850 4.320 -0.001 0.000 0.298 158 A C -0.964 176.602 177.584 -0.030 0.000 1.051 158 A CA -0.648 51.374 52.037 -0.025 0.000 0.690 158 A CB 1.117 20.107 19.000 -0.017 0.000 1.281 158 A HN 0.326 nan 8.150 nan 0.000 0.402 159 V N 1.980 121.872 119.914 -0.036 0.000 2.439 159 V HA 0.502 4.621 4.120 -0.001 0.000 0.282 159 V C -0.174 175.899 176.094 -0.034 0.000 1.039 159 V CA -0.341 61.936 62.300 -0.038 0.000 0.913 159 V CB 1.367 33.161 31.823 -0.048 0.000 0.983 159 V HN 0.669 nan 8.190 nan 0.000 0.460 160 V N 4.036 123.931 119.914 -0.032 0.000 2.555 160 V HA 0.554 4.673 4.120 -0.001 0.000 0.302 160 V C 0.352 176.415 176.094 -0.050 0.000 1.038 160 V CA -0.575 61.704 62.300 -0.034 0.000 0.887 160 V CB 2.189 33.999 31.823 -0.021 0.000 0.991 160 V HN 0.996 nan 8.190 nan 0.000 0.434 161 T N 1.564 116.078 114.554 -0.067 0.000 2.934 161 T HA 0.837 5.187 4.350 -0.001 0.000 0.283 161 T C -0.335 174.271 174.700 -0.155 0.000 1.005 161 T CA -0.575 61.464 62.100 -0.103 0.000 1.041 161 T CB 1.768 70.575 68.868 -0.101 0.000 1.042 161 T HN 1.047 nan 8.240 nan 0.000 0.505 162 V N -2.493 117.282 119.914 -0.232 0.000 3.159 162 V HA 0.767 4.886 4.120 -0.001 0.000 0.308 162 V C -3.273 172.474 176.094 -0.578 0.000 1.190 162 V CA -3.274 58.756 62.300 -0.451 0.000 1.037 162 V CB 1.441 33.061 31.823 -0.338 0.000 1.060 162 V HN 0.685 nan 8.190 nan 0.000 0.437 163 P HA 0.276 nan 4.420 nan 0.000 0.269 163 P C 0.744 177.655 177.300 -0.649 0.000 1.209 163 P CA 0.682 63.246 63.100 -0.893 0.000 0.776 163 P CB 0.952 31.749 31.700 -1.504 0.000 0.876 164 A N 3.112 125.693 122.820 -0.398 0.000 1.978 164 A HA -0.221 4.098 4.320 -0.001 0.000 0.220 164 A C 1.601 179.142 177.584 -0.073 0.000 1.170 164 A CA 1.800 53.737 52.037 -0.166 0.000 0.636 164 A CB -1.735 17.228 19.000 -0.061 0.000 0.810 164 A HN 0.754 nan 8.150 nan 0.000 0.448 165 Y N -3.657 116.672 120.300 0.048 0.000 2.529 165 Y HA 0.448 4.998 4.550 -0.001 0.000 0.290 165 Y C 0.256 176.290 175.900 0.224 0.000 1.177 165 Y CA -1.697 56.466 58.100 0.105 0.000 1.305 165 Y CB -0.806 37.701 38.460 0.079 0.000 1.047 165 Y HN 0.065 nan 8.280 nan 0.000 0.522 166 F N 4.103 123.931 119.950 -0.204 0.000 2.563 166 F HA 0.093 4.619 4.527 -0.000 0.000 0.363 166 F C 0.694 176.492 175.800 -0.004 0.000 1.123 166 F CA -1.043 56.910 58.000 -0.080 0.000 1.307 166 F CB 0.067 38.974 39.000 -0.155 0.000 1.115 166 F HN 0.308 nan 8.300 nan 0.000 0.592 167 N N 1.060 119.800 118.700 0.066 0.000 2.491 167 N HA 0.147 4.887 4.740 -0.001 0.000 0.279 167 N C 0.434 175.949 175.510 0.010 0.000 1.236 167 N CA -0.521 52.550 53.050 0.035 0.000 0.982 167 N CB 0.215 38.705 38.487 0.005 0.000 1.194 167 N HN 0.337 nan 8.380 nan 0.000 0.582 168 D N -0.629 119.776 120.400 0.009 0.000 2.149 168 D HA -0.201 4.439 4.640 -0.001 0.000 0.194 168 D C 1.506 177.796 176.300 -0.017 0.000 1.001 168 D CA 1.578 55.580 54.000 0.003 0.000 0.849 168 D CB -0.435 40.366 40.800 0.003 0.000 0.939 168 D HN 0.582 nan 8.370 nan 0.000 0.449 169 S N -0.492 115.183 115.700 -0.040 0.000 2.402 169 S HA -0.143 4.327 4.470 -0.001 0.000 0.229 169 S C 1.802 176.345 174.600 -0.096 0.000 1.021 169 S CA 1.029 59.193 58.200 -0.059 0.000 0.974 169 S CB -0.015 63.147 63.200 -0.062 0.000 0.800 169 S HN 0.244 nan 8.310 nan 0.000 0.484 170 Q N 0.084 119.785 119.800 -0.165 0.000 2.123 170 Q HA 0.035 4.374 4.340 -0.001 0.000 0.199 170 Q C 2.479 178.446 176.000 -0.056 0.000 0.966 170 Q CA 1.072 56.696 55.803 -0.299 0.000 0.845 170 Q CB -0.076 28.135 28.738 -0.879 0.000 0.907 170 Q HN 0.487 nan 8.270 nan 0.000 0.439 171 R N 0.237 120.758 120.500 0.034 0.000 2.066 171 R HA -0.181 4.159 4.340 -0.001 0.000 0.232 171 R C 2.311 178.635 176.300 0.040 0.000 1.131 171 R CA 1.487 57.640 56.100 0.088 0.000 0.955 171 R CB -0.175 30.167 30.300 0.070 0.000 0.851 171 R HN 0.129 nan 8.270 nan 0.000 0.432 172 Q N 0.789 120.595 119.800 0.009 0.000 2.084 172 Q HA -0.081 4.259 4.340 -0.001 0.000 0.202 172 Q C 1.888 177.887 176.000 -0.002 0.000 0.978 172 Q CA 1.996 57.799 55.803 0.000 0.000 0.844 172 Q CB -0.214 28.517 28.738 -0.011 0.000 0.898 172 Q HN 0.346 nan 8.270 nan 0.000 0.426 173 A N -0.869 121.943 122.820 -0.013 0.000 1.969 173 A HA -0.138 4.181 4.320 -0.001 0.000 0.218 173 A C 2.223 179.816 177.584 0.015 0.000 1.169 173 A CA 1.802 53.830 52.037 -0.015 0.000 0.635 173 A CB -0.821 18.155 19.000 -0.039 0.000 0.810 173 A HN 0.489 nan 8.150 nan 0.000 0.445 174 T N 0.045 114.624 114.554 0.042 0.000 2.777 174 T HA -0.101 4.249 4.350 -0.001 0.000 0.266 174 T C 1.907 176.626 174.700 0.031 0.000 1.040 174 T CA 1.497 63.632 62.100 0.059 0.000 1.141 174 T CB -0.166 68.767 68.868 0.107 0.000 0.868 174 T HN 0.517 nan 8.240 nan 0.000 0.444 175 K N 0.994 121.409 120.400 0.024 0.000 2.044 175 K HA -0.159 4.161 4.320 -0.001 0.000 0.210 175 K C 2.063 178.669 176.600 0.011 0.000 1.049 175 K CA 1.667 57.962 56.287 0.013 0.000 0.927 175 K CB -0.278 32.228 32.500 0.009 0.000 0.713 175 K HN 0.283 nan 8.250 nan 0.000 0.443 176 D N 0.667 121.073 120.400 0.010 0.000 2.097 176 D HA -0.142 4.497 4.640 -0.001 0.000 0.195 176 D C 1.863 178.174 176.300 0.018 0.000 0.989 176 D CA 1.374 55.380 54.000 0.011 0.000 0.827 176 D CB -0.347 40.455 40.800 0.004 0.000 0.966 176 D HN 0.205 nan 8.370 nan 0.000 0.456 177 A N 0.901 123.732 122.820 0.019 0.000 1.917 177 A HA -0.127 4.193 4.320 -0.001 0.000 0.219 177 A C 2.393 179.985 177.584 0.012 0.000 1.182 177 A CA 2.423 54.470 52.037 0.018 0.000 0.633 177 A CB -1.272 17.737 19.000 0.015 0.000 0.819 177 A HN 0.318 nan 8.150 nan 0.000 0.448 178 G N -0.568 108.238 108.800 0.010 0.000 2.491 178 G HA2 -0.070 3.890 3.960 -0.001 0.000 0.218 178 G HA3 -0.070 3.890 3.960 -0.001 0.000 0.218 178 G C 1.814 176.719 174.900 0.008 0.000 1.180 178 G CA 1.814 46.918 45.100 0.006 0.000 0.774 178 G HN 0.919 nan 8.290 nan 0.000 0.562 179 A N 0.661 123.488 122.820 0.011 0.000 1.908 179 A HA 0.007 4.327 4.320 -0.001 0.000 0.218 179 A C 2.428 180.023 177.584 0.018 0.000 1.181 179 A CA 1.472 53.517 52.037 0.013 0.000 0.627 179 A CB -0.398 18.610 19.000 0.013 0.000 0.818 179 A HN 0.405 nan 8.150 nan 0.000 0.445 180 I N -0.322 120.262 120.570 0.024 0.000 2.361 180 I HA -0.244 3.925 4.170 -0.001 0.000 0.251 180 I C 2.581 178.714 176.117 0.027 0.000 1.133 180 I CA 1.058 62.377 61.300 0.032 0.000 1.413 180 I CB -0.150 37.877 38.000 0.044 0.000 1.073 180 I HN 0.341 nan 8.210 nan 0.000 0.424 181 A N 0.207 123.037 122.820 0.018 0.000 2.238 181 A HA 0.321 4.641 4.320 -0.001 0.000 0.208 181 A C 1.815 179.407 177.584 0.013 0.000 1.177 181 A CA 0.732 52.776 52.037 0.013 0.000 0.804 181 A CB -0.592 18.410 19.000 0.004 0.000 0.823 181 A HN 0.567 nan 8.150 nan 0.000 0.482 182 G N -1.311 107.497 108.800 0.014 0.000 2.132 182 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.234 182 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.234 182 G C -0.016 174.889 174.900 0.008 0.000 0.989 182 G CA 0.264 45.372 45.100 0.012 0.000 0.676 182 G HN 0.430 nan 8.290 nan 0.000 0.522 183 L N 0.449 121.676 121.223 0.006 0.000 2.307 183 L HA 0.437 4.776 4.340 -0.001 0.000 0.282 183 L C 0.465 177.335 176.870 0.001 0.000 1.051 183 L CA -1.057 53.784 54.840 0.002 0.000 0.804 183 L CB 1.369 43.428 42.059 -0.001 0.000 1.197 183 L HN 0.174 nan 8.230 nan 0.000 0.431 184 N N 2.484 121.182 118.700 -0.003 0.000 2.415 184 N HA 0.139 4.879 4.740 -0.001 0.000 0.246 184 N C -0.873 174.631 175.510 -0.009 0.000 1.078 184 N CA -0.331 52.716 53.050 -0.005 0.000 0.942 184 N CB 0.975 39.458 38.487 -0.007 0.000 1.140 184 N HN 0.272 nan 8.380 nan 0.000 0.501 185 V N 6.409 126.318 119.914 -0.008 0.000 2.352 185 V HA 0.036 4.155 4.120 -0.001 0.000 0.253 185 V C 1.680 177.765 176.094 -0.014 0.000 1.083 185 V CA -0.003 62.291 62.300 -0.011 0.000 0.993 185 V CB -0.086 31.734 31.823 -0.006 0.000 1.111 185 V HN 0.793 nan 8.190 nan 0.000 0.490 186 M N 3.038 122.626 119.600 -0.021 0.000 2.175 186 M HA 0.023 4.502 4.480 -0.001 0.000 0.264 186 M C 1.115 177.402 176.300 -0.022 0.000 1.063 186 M CA 1.624 56.910 55.300 -0.023 0.000 1.119 186 M CB 0.060 32.640 32.600 -0.033 0.000 1.377 186 M HN 0.506 nan 8.290 nan 0.000 0.415 187 R N 0.001 120.487 120.500 -0.024 0.000 2.629 187 R HA 0.396 4.736 4.340 -0.001 0.000 0.266 187 R C -1.849 174.437 176.300 -0.024 0.000 1.051 187 R CA -0.539 55.548 56.100 -0.022 0.000 0.895 187 R CB 1.974 32.258 30.300 -0.026 0.000 1.246 187 R HN -0.020 nan 8.270 nan 0.000 0.459 188 I N 6.165 126.724 120.570 -0.019 0.000 2.304 188 I HA 0.318 4.487 4.170 -0.001 0.000 0.291 188 I C 0.521 176.616 176.117 -0.037 0.000 1.018 188 I CA -0.354 60.932 61.300 -0.022 0.000 1.260 188 I CB 0.764 38.762 38.000 -0.002 0.000 1.390 188 I HN 0.535 nan 8.210 nan 0.000 0.475 189 I N 4.187 124.721 120.570 -0.060 0.000 2.910 189 I HA 0.574 4.744 4.170 -0.001 0.000 0.310 189 I C -0.049 176.001 176.117 -0.111 0.000 1.043 189 I CA -0.943 60.308 61.300 -0.082 0.000 1.053 189 I CB 1.734 39.676 38.000 -0.097 0.000 1.242 189 I HN 0.272 nan 8.210 nan 0.000 0.452 190 N N 3.054 121.678 118.700 -0.126 0.000 2.513 190 N HA 0.076 4.816 4.740 -0.001 0.000 0.268 190 N C 0.529 175.944 175.510 -0.158 0.000 1.180 190 N CA -0.007 52.953 53.050 -0.151 0.000 0.948 190 N CB 1.293 39.703 38.487 -0.128 0.000 1.083 190 N HN 0.706 nan 8.380 nan 0.000 0.455 191 E N 2.266 122.360 120.200 -0.176 0.000 2.049 191 E HA -0.189 4.160 4.350 -0.001 0.000 0.198 191 E C -0.779 175.761 176.600 -0.100 0.000 1.007 191 E CA 1.384 57.700 56.400 -0.139 0.000 0.809 191 E CB -0.548 29.053 29.700 -0.164 0.000 0.749 191 E HN 0.586 nan 8.360 nan 0.000 0.450 192 P HA -0.100 nan 4.420 nan 0.000 0.219 192 P C 1.175 178.431 177.300 -0.073 0.000 1.150 192 P CA 1.393 64.459 63.100 -0.056 0.000 0.814 192 P CB -0.013 31.662 31.700 -0.042 0.000 0.787 193 T N 0.404 114.866 114.554 -0.154 0.000 2.746 193 T HA -0.086 4.263 4.350 -0.001 0.000 0.267 193 T C 2.091 176.600 174.700 -0.319 0.000 1.039 193 T CA 1.736 63.630 62.100 -0.342 0.000 1.142 193 T CB -0.857 67.737 68.868 -0.457 0.000 0.866 193 T HN 0.080 nan 8.240 nan 0.000 0.444 194 A N 1.500 124.207 122.820 -0.189 0.000 1.908 194 A HA 0.109 4.429 4.320 -0.001 0.000 0.218 194 A C 2.643 180.219 177.584 -0.014 0.000 1.181 194 A CA 1.886 53.862 52.037 -0.100 0.000 0.627 194 A CB -1.094 17.866 19.000 -0.065 0.000 0.818 194 A HN 0.515 nan 8.150 nan 0.000 0.445 195 A N -0.212 122.613 122.820 0.008 0.000 1.902 195 A HA 0.179 4.499 4.320 -0.001 0.000 0.217 195 A C 2.501 180.189 177.584 0.172 0.000 1.181 195 A CA 2.020 54.115 52.037 0.097 0.000 0.623 195 A CB -0.983 18.076 19.000 0.099 0.000 0.818 195 A HN 1.053 nan 8.150 nan 0.000 0.443 196 A N -0.053 122.832 122.820 0.107 0.000 1.902 196 A HA -0.091 4.228 4.320 -0.001 0.000 0.217 196 A C 2.112 179.835 177.584 0.232 0.000 1.181 196 A CA 1.540 53.690 52.037 0.187 0.000 0.623 196 A CB -0.605 18.533 19.000 0.230 0.000 0.818 196 A HN 0.491 nan 8.150 nan 0.000 0.443 197 I N -0.227 120.417 120.570 0.124 0.000 2.226 197 I HA -0.284 3.885 4.170 -0.001 0.000 0.245 197 I C 2.937 179.161 176.117 0.180 0.000 1.100 197 I CA 0.984 62.383 61.300 0.164 0.000 1.374 197 I CB -0.275 37.753 38.000 0.046 0.000 1.057 197 I HN 0.362 nan 8.210 nan 0.000 0.413 198 A N -0.053 122.857 122.820 0.149 0.000 1.978 198 A HA -0.232 4.088 4.320 -0.001 0.000 0.220 198 A C 1.896 179.389 177.584 -0.151 0.000 1.170 198 A CA 1.574 53.652 52.037 0.068 0.000 0.636 198 A CB -0.892 18.063 19.000 -0.075 0.000 0.810 198 A HN 0.509 nan 8.150 nan 0.000 0.448 199 Y N -0.682 119.617 120.300 -0.002 0.000 2.461 199 Y HA 0.335 4.884 4.550 -0.001 0.000 0.277 199 Y C 1.732 177.655 175.900 0.038 0.000 1.182 199 Y CA 0.316 58.406 58.100 -0.016 0.000 1.276 199 Y CB -0.005 38.446 38.460 -0.016 0.000 1.087 199 Y HN 0.447 nan 8.280 nan 0.000 0.519 200 G N 0.521 109.436 108.800 0.193 0.000 2.198 200 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.260 200 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.260 200 G C 0.868 175.860 174.900 0.153 0.000 1.025 200 G CA 0.588 45.786 45.100 0.164 0.000 0.769 200 G HN 0.482 nan 8.290 nan 0.000 0.507 201 L N 0.385 121.722 121.223 0.190 0.000 2.313 201 L HA 0.049 4.388 4.340 -0.001 0.000 0.214 201 L C 2.426 179.343 176.870 0.079 0.000 1.119 201 L CA 1.337 56.260 54.840 0.138 0.000 0.809 201 L CB -0.266 41.890 42.059 0.162 0.000 0.933 201 L HN 0.479 nan 8.230 nan 0.000 0.449 202 D N 0.020 120.480 120.400 0.100 0.000 2.363 202 D HA -0.138 4.501 4.640 -0.001 0.000 0.226 202 D C 0.823 177.099 176.300 -0.039 0.000 1.020 202 D CA 0.564 54.518 54.000 -0.077 0.000 0.892 202 D CB 0.031 40.756 40.800 -0.125 0.000 0.900 202 D HN 0.266 nan 8.370 nan 0.000 0.531 203 K N -0.294 120.117 120.400 0.017 0.000 2.860 203 K HA 0.169 4.489 4.320 -0.001 0.000 0.204 203 K C -0.330 176.277 176.600 0.011 0.000 1.127 203 K CA -0.312 55.982 56.287 0.013 0.000 1.050 203 K CB 1.089 33.613 32.500 0.041 0.000 0.745 203 K HN -0.130 nan 8.250 nan 0.000 0.459 204 K N 1.200 121.600 120.400 -0.001 0.000 2.527 204 K HA 0.400 4.720 4.320 -0.001 0.000 0.240 204 K C -0.302 176.276 176.600 -0.037 0.000 0.989 204 K CA -0.151 56.133 56.287 -0.005 0.000 0.985 204 K CB 1.009 33.517 32.500 0.013 0.000 1.221 204 K HN 0.327 nan 8.250 nan 0.000 0.458 205 G N 1.340 110.116 108.800 -0.040 0.000 2.631 205 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.504 205 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.504 205 G C -0.617 174.244 174.900 -0.064 0.000 1.306 205 G CA -0.505 44.559 45.100 -0.061 0.000 0.897 205 G HN 0.641 nan 8.290 nan 0.000 0.520 206 T N -1.452 113.059 114.554 -0.073 0.000 2.824 206 T HA 0.870 5.219 4.350 -0.001 0.000 0.280 206 T C 1.283 175.939 174.700 -0.073 0.000 0.995 206 T CA 0.978 63.041 62.100 -0.061 0.000 1.009 206 T CB 1.437 70.277 68.868 -0.046 0.000 0.955 206 T HN 2.857 nan 8.240 nan 0.000 0.452 207 G N 1.959 110.724 108.800 -0.058 0.000 2.512 207 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.240 207 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.240 207 G C -0.427 174.438 174.900 -0.058 0.000 1.246 207 G CA -0.010 45.059 45.100 -0.050 0.000 0.919 207 G HN 1.146 nan 8.290 nan 0.000 0.577 208 E N 0.422 120.600 120.200 -0.037 0.000 2.249 208 E HA 0.580 4.930 4.350 -0.001 0.000 0.280 208 E C 0.091 176.694 176.600 0.006 0.000 1.016 208 E CA -0.621 55.774 56.400 -0.009 0.000 0.830 208 E CB 0.726 30.442 29.700 0.027 0.000 1.081 208 E HN 0.551 nan 8.360 nan 0.000 0.395 209 R N 3.724 124.241 120.500 0.030 0.000 2.513 209 R HA 0.309 4.649 4.340 -0.001 0.000 0.301 209 R C -1.071 175.355 176.300 0.210 0.000 0.968 209 R CA -0.733 55.441 56.100 0.122 0.000 0.872 209 R CB 0.984 31.282 30.300 -0.002 0.000 1.177 209 R HN 0.554 nan 8.270 nan 0.000 0.444 210 N N 2.788 121.708 118.700 0.365 0.000 2.438 210 N HA 0.304 5.043 4.740 -0.001 0.000 0.282 210 N C -1.145 174.417 175.510 0.087 0.000 1.037 210 N CA -0.304 52.822 53.050 0.127 0.000 0.942 210 N CB 2.297 40.777 38.487 -0.012 0.000 1.136 210 N HN 0.175 nan 8.380 nan 0.000 0.481 211 V N 2.743 122.700 119.914 0.071 0.000 2.525 211 V HA 0.372 4.492 4.120 -0.001 0.000 0.299 211 V C -0.227 175.891 176.094 0.040 0.000 1.034 211 V CA -0.832 61.497 62.300 0.048 0.000 0.863 211 V CB 2.167 34.042 31.823 0.086 0.000 0.999 211 V HN 0.490 nan 8.190 nan 0.000 0.423 212 L N 5.999 127.223 121.223 0.001 0.000 2.296 212 L HA 0.628 4.968 4.340 -0.001 0.000 0.286 212 L C -0.780 176.116 176.870 0.043 0.000 1.023 212 L CA -0.298 54.570 54.840 0.047 0.000 0.812 212 L CB 0.942 43.062 42.059 0.102 0.000 1.223 212 L HN 0.461 nan 8.230 nan 0.000 0.421 213 I N 5.517 126.128 120.570 0.068 0.000 2.321 213 I HA 0.216 4.385 4.170 -0.001 0.000 0.291 213 I C -0.675 175.522 176.117 0.132 0.000 0.998 213 I CA -0.168 61.179 61.300 0.078 0.000 1.227 213 I CB 1.044 39.069 38.000 0.041 0.000 1.368 213 I HN 0.548 nan 8.210 nan 0.000 0.466 214 F N 6.437 126.406 119.950 0.032 0.000 2.347 214 F HA 0.356 4.884 4.527 0.000 0.000 0.366 214 F C -0.233 175.646 175.800 0.132 0.000 1.107 214 F CA -0.399 57.661 58.000 0.100 0.000 1.058 214 F CB 0.752 39.842 39.000 0.149 0.000 1.236 214 F HN 0.390 nan 8.300 nan 0.000 0.456 215 D N 7.245 127.651 120.400 0.011 0.000 2.438 215 D HA 0.208 4.848 4.640 -0.001 0.000 0.257 215 D C -1.752 174.645 176.300 0.161 0.000 1.148 215 D CA -0.300 53.754 54.000 0.089 0.000 0.902 215 D CB 1.109 41.913 40.800 0.007 0.000 1.062 215 D HN 0.506 nan 8.370 nan 0.000 0.518 216 L N 3.933 125.305 121.223 0.249 0.000 2.294 216 L HA 0.763 5.102 4.340 -0.001 0.000 0.283 216 L C 0.369 177.330 176.870 0.153 0.000 1.015 216 L CA -0.161 54.824 54.840 0.241 0.000 0.831 216 L CB 1.356 43.532 42.059 0.194 0.000 1.217 216 L HN 0.360 nan 8.230 nan 0.000 0.420 217 G N 2.298 111.163 108.800 0.109 0.000 2.890 217 G HA2 0.437 4.397 3.960 -0.001 0.000 0.189 217 G HA3 0.437 4.397 3.960 -0.001 0.000 0.189 217 G C 0.599 175.518 174.900 0.033 0.000 1.342 217 G CA -0.067 45.080 45.100 0.078 0.000 1.026 217 G HN 0.685 nan 8.290 nan 0.000 0.579 218 G N -1.220 107.621 108.800 0.068 0.000 2.426 218 G HA2 0.322 4.282 3.960 -0.001 0.000 0.214 218 G HA3 0.322 4.282 3.960 -0.001 0.000 0.214 218 G C 1.135 176.032 174.900 -0.005 0.000 1.156 218 G CA 1.487 46.622 45.100 0.058 0.000 0.802 218 G HN 1.168 nan 8.290 nan 0.000 0.534 219 G N -1.056 107.762 108.800 0.029 0.000 3.314 219 G HA2 0.379 4.339 3.960 -0.001 0.000 0.230 219 G HA3 0.379 4.339 3.960 -0.001 0.000 0.230 219 G C 0.316 175.222 174.900 0.011 0.000 1.058 219 G CA 0.947 46.061 45.100 0.022 0.000 0.926 219 G HN 0.732 nan 8.290 nan 0.000 0.564 220 T N -1.935 112.637 114.554 0.031 0.000 2.906 220 T HA 0.709 5.059 4.350 -0.001 0.000 0.295 220 T C -1.827 172.949 174.700 0.128 0.000 1.061 220 T CA -0.939 61.190 62.100 0.047 0.000 1.000 220 T CB 2.712 71.608 68.868 0.047 0.000 1.103 220 T HN 0.170 nan 8.240 nan 0.000 0.486 221 F N 1.857 121.765 119.950 -0.071 0.000 2.536 221 F HA 0.656 5.183 4.527 -0.000 0.000 0.322 221 F C -1.564 174.176 175.800 -0.099 0.000 1.144 221 F CA -1.313 56.621 58.000 -0.110 0.000 0.924 221 F CB 1.617 40.544 39.000 -0.121 0.000 1.181 221 F HN 0.664 nan 8.300 nan 0.000 0.438 222 D N 5.299 125.386 120.400 -0.521 0.000 2.787 222 D HA 0.494 5.133 4.640 -0.001 0.000 0.246 222 D C -1.241 174.668 176.300 -0.650 0.000 1.150 222 D CA -0.162 53.557 54.000 -0.468 0.000 0.864 222 D CB 3.025 43.744 40.800 -0.135 0.000 1.481 222 D HN 0.254 nan 8.370 nan 0.000 0.509 223 V N 1.428 121.000 119.914 -0.570 0.000 2.604 223 V HA 0.551 4.671 4.120 -0.001 0.000 0.305 223 V C -0.242 175.762 176.094 -0.150 0.000 1.043 223 V CA -0.421 61.661 62.300 -0.363 0.000 0.888 223 V CB 2.003 33.611 31.823 -0.357 0.000 0.995 223 V HN 0.521 nan 8.190 nan 0.000 0.429 224 S N 4.595 120.260 115.700 -0.058 0.000 2.538 224 S HA 0.702 5.172 4.470 -0.001 0.000 0.288 224 S C -1.074 173.546 174.600 0.033 0.000 1.108 224 S CA -0.466 57.729 58.200 -0.008 0.000 0.971 224 S CB 1.856 65.050 63.200 -0.010 0.000 1.041 224 S HN 0.587 nan 8.310 nan 0.000 0.483 225 L N 4.254 125.506 121.223 0.047 0.000 2.298 225 L HA 0.667 5.007 4.340 -0.001 0.000 0.284 225 L C -1.535 175.378 176.870 0.071 0.000 1.013 225 L CA -0.290 54.591 54.840 0.068 0.000 0.824 225 L CB 0.446 42.550 42.059 0.075 0.000 1.221 225 L HN 0.638 nan 8.230 nan 0.000 0.418 226 L N 3.738 125.012 121.223 0.086 0.000 2.333 226 L HA 0.716 5.055 4.340 -0.001 0.000 0.269 226 L C -0.119 176.815 176.870 0.106 0.000 1.010 226 L CA -0.650 54.257 54.840 0.112 0.000 0.818 226 L CB 2.177 44.336 42.059 0.168 0.000 1.306 226 L HN 0.446 nan 8.230 nan 0.000 0.430 227 T N 2.348 116.961 114.554 0.099 0.000 2.841 227 T HA 0.679 5.029 4.350 -0.001 0.000 0.283 227 T C -0.456 174.261 174.700 0.028 0.000 1.000 227 T CA -0.304 61.837 62.100 0.069 0.000 0.977 227 T CB 1.397 70.298 68.868 0.054 0.000 0.979 227 T HN 0.275 nan 8.240 nan 0.000 0.446 228 I N 2.422 122.976 120.570 -0.027 0.000 2.433 228 I HA 0.567 4.737 4.170 -0.001 0.000 0.292 228 I C -0.021 176.019 176.117 -0.128 0.000 1.001 228 I CA -0.677 60.518 61.300 -0.174 0.000 1.119 228 I CB 1.931 39.766 38.000 -0.275 0.000 1.289 228 I HN 0.491 nan 8.210 nan 0.000 0.438 229 E N 5.123 125.235 120.200 -0.148 0.000 2.304 229 E HA 0.172 4.522 4.350 -0.001 0.000 0.277 229 E C -1.214 175.323 176.600 -0.104 0.000 0.898 229 E CA -0.478 55.864 56.400 -0.098 0.000 0.764 229 E CB 1.430 31.099 29.700 -0.052 0.000 1.216 229 E HN 0.683 nan 8.360 nan 0.000 0.419 230 D N 2.728 123.077 120.400 -0.085 0.000 2.882 230 D HA -0.225 4.414 4.640 -0.001 0.000 0.229 230 D C 0.672 176.915 176.300 -0.095 0.000 1.167 230 D CA 1.602 55.559 54.000 -0.071 0.000 0.759 230 D CB -1.344 39.427 40.800 -0.048 0.000 1.088 230 D HN 0.973 nan 8.370 nan 0.000 0.425 231 G N -0.716 107.991 108.800 -0.155 0.000 2.143 231 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.248 231 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.248 231 G C 0.185 174.908 174.900 -0.294 0.000 0.991 231 G CA 0.369 45.339 45.100 -0.216 0.000 0.689 231 G HN 0.506 nan 8.290 nan 0.000 0.522 232 I N 0.155 120.555 120.570 -0.283 0.000 2.404 232 I HA 0.615 4.785 4.170 -0.001 0.000 0.293 232 I C -0.011 175.933 176.117 -0.287 0.000 0.992 232 I CA -1.091 60.093 61.300 -0.193 0.000 1.149 232 I CB 1.187 39.152 38.000 -0.060 0.000 1.315 232 I HN -0.011 nan 8.210 nan 0.000 0.446 233 F N 4.301 124.262 119.950 0.019 0.000 2.408 233 F HA 0.463 4.990 4.527 -0.001 0.000 0.344 233 F C 0.462 176.274 175.800 0.020 0.000 1.112 233 F CA -0.453 57.560 58.000 0.021 0.000 1.096 233 F CB 1.011 40.024 39.000 0.020 0.000 1.129 233 F HN 0.401 nan 8.300 nan 0.000 0.486 234 E N 2.613 122.924 120.200 0.185 0.000 2.224 234 E HA 0.434 4.784 4.350 -0.001 0.000 0.265 234 E C -1.597 175.075 176.600 0.119 0.000 0.878 234 E CA -0.704 55.768 56.400 0.121 0.000 0.759 234 E CB 1.923 31.666 29.700 0.072 0.000 1.164 234 E HN 0.419 nan 8.360 nan 0.000 0.414 235 V N 6.550 126.522 119.914 0.095 0.000 2.387 235 V HA 0.081 4.201 4.120 -0.001 0.000 0.260 235 V C 1.196 177.328 176.094 0.062 0.000 1.054 235 V CA -0.200 62.145 62.300 0.075 0.000 0.967 235 V CB 0.741 32.596 31.823 0.054 0.000 1.036 235 V HN 0.653 nan 8.190 nan 0.000 0.481 236 K N 3.337 123.774 120.400 0.062 0.000 2.098 236 K HA 0.324 4.644 4.320 -0.001 0.000 0.203 236 K C 0.638 177.266 176.600 0.047 0.000 1.051 236 K CA 1.126 57.445 56.287 0.053 0.000 0.957 236 K CB 0.421 32.953 32.500 0.054 0.000 0.738 236 K HN 0.740 nan 8.250 nan 0.000 0.447 237 A N 0.915 123.763 122.820 0.046 0.000 2.577 237 A HA 0.463 4.783 4.320 -0.001 0.000 0.297 237 A C -0.813 176.790 177.584 0.032 0.000 1.060 237 A CA -0.657 51.403 52.037 0.039 0.000 0.697 237 A CB 1.335 20.358 19.000 0.038 0.000 1.281 237 A HN 0.126 nan 8.150 nan 0.000 0.402 238 T N -0.971 113.600 114.554 0.027 0.000 2.907 238 T HA 0.991 5.340 4.350 -0.001 0.000 0.292 238 T C -0.316 174.372 174.700 -0.020 0.000 1.043 238 T CA -0.057 62.052 62.100 0.015 0.000 1.003 238 T CB 1.742 70.652 68.868 0.070 0.000 1.084 238 T HN 2.451 nan 8.240 nan 0.000 0.483 239 A N 0.352 123.128 122.820 -0.074 0.000 2.599 239 A HA 1.061 5.381 4.320 -0.001 0.000 0.290 239 A C -0.034 177.424 177.584 -0.210 0.000 1.101 239 A CA -0.270 51.702 52.037 -0.109 0.000 0.674 239 A CB 1.191 20.143 19.000 -0.080 0.000 1.277 239 A HN 2.152 nan 8.150 nan 0.000 0.419 240 G N -0.591 108.092 108.800 -0.196 0.000 2.344 240 G HA2 0.503 4.463 3.960 -0.001 0.000 0.282 240 G HA3 0.503 4.463 3.960 -0.001 0.000 0.282 240 G C -2.451 172.406 174.900 -0.072 0.000 1.281 240 G CA 0.296 45.239 45.100 -0.263 0.000 0.877 240 G HN 1.127 nan 8.290 nan 0.000 0.494 241 D N -0.843 119.566 120.400 0.016 0.000 2.855 241 D HA 0.497 5.137 4.640 -0.001 0.000 0.241 241 D C 1.102 177.415 176.300 0.022 0.000 1.277 241 D CA 0.080 54.120 54.000 0.067 0.000 0.918 241 D CB 1.624 42.528 40.800 0.173 0.000 1.462 241 D HN 0.302 nan 8.370 nan 0.000 0.559 242 T N 1.531 116.039 114.554 -0.076 0.000 3.113 242 T HA -0.012 4.338 4.350 -0.001 0.000 0.263 242 T C 0.503 174.939 174.700 -0.439 0.000 1.143 242 T CA 0.809 62.766 62.100 -0.238 0.000 1.090 242 T CB -0.180 68.481 68.868 -0.345 0.000 0.922 242 T HN 0.455 nan 8.240 nan 0.000 0.521 243 H N -0.197 118.890 119.070 0.028 0.000 2.716 243 H HA 0.560 5.115 4.556 -0.001 0.000 0.230 243 H C -1.139 174.167 175.328 -0.036 0.000 1.401 243 H CA -0.618 55.428 56.048 -0.003 0.000 1.168 243 H CB 0.440 30.191 29.762 -0.018 0.000 1.935 243 H HN 0.056 nan 8.280 nan 0.000 0.538 244 L N 0.621 121.860 121.223 0.026 0.000 2.476 244 L HA 0.811 5.151 4.340 -0.001 0.000 0.269 244 L C -0.305 176.464 176.870 -0.168 0.000 0.965 244 L CA -0.027 54.755 54.840 -0.096 0.000 0.845 244 L CB 1.481 43.534 42.059 -0.010 0.000 1.259 244 L HN 0.364 nan 8.230 nan 0.000 0.403 245 G N 1.976 110.528 108.800 -0.413 0.000 2.428 245 G HA2 0.378 4.338 3.960 -0.001 0.000 0.305 245 G HA3 0.378 4.338 3.960 -0.001 0.000 0.305 245 G C 0.323 174.618 174.900 -1.009 0.000 1.260 245 G CA -0.046 44.756 45.100 -0.497 0.000 0.853 245 G HN 0.865 nan 8.290 nan 0.000 0.480 246 G N -0.202 108.227 108.800 -0.618 0.000 2.475 246 G HA2 -0.105 3.854 3.960 -0.001 0.000 0.220 246 G HA3 -0.105 3.854 3.960 -0.001 0.000 0.220 246 G C 1.285 175.989 174.900 -0.327 0.000 1.125 246 G CA 1.810 46.631 45.100 -0.465 0.000 0.755 246 G HN 0.497 nan 8.290 nan 0.000 0.565 247 E N 1.093 121.148 120.200 -0.240 0.000 2.110 247 E HA -0.097 4.253 4.350 -0.001 0.000 0.193 247 E C 2.051 178.578 176.600 -0.123 0.000 0.988 247 E CA 1.019 57.354 56.400 -0.109 0.000 0.804 247 E CB -0.247 29.422 29.700 -0.051 0.000 0.745 247 E HN 0.474 nan 8.360 nan 0.000 0.458 248 D N 0.095 120.314 120.400 -0.302 0.000 2.178 248 D HA -0.112 4.527 4.640 -0.001 0.000 0.202 248 D C 1.779 178.101 176.300 0.037 0.000 0.974 248 D CA 0.664 54.525 54.000 -0.232 0.000 0.841 248 D CB -0.142 40.304 40.800 -0.590 0.000 0.953 248 D HN 0.170 nan 8.370 nan 0.000 0.478 249 F N 1.839 121.809 119.950 0.034 0.000 2.206 249 F HA -0.055 4.472 4.527 0.000 0.000 0.298 249 F C 2.133 178.101 175.800 0.279 0.000 1.090 249 F CA 0.289 58.423 58.000 0.224 0.000 1.323 249 F CB -1.094 38.148 39.000 0.403 0.000 1.028 249 F HN -0.168 nan 8.300 nan 0.000 0.492 250 D N 0.381 120.978 120.400 0.327 0.000 2.104 250 D HA -0.170 4.470 4.640 -0.001 0.000 0.194 250 D C 1.917 178.334 176.300 0.194 0.000 0.994 250 D CA 1.244 55.377 54.000 0.221 0.000 0.830 250 D CB -0.586 40.285 40.800 0.120 0.000 0.959 250 D HN 0.111 nan 8.370 nan 0.000 0.452 251 N N 0.574 119.370 118.700 0.159 0.000 2.094 251 N HA -0.147 4.592 4.740 -0.001 0.000 0.191 251 N C 1.724 177.339 175.510 0.176 0.000 1.023 251 N CA 0.796 53.929 53.050 0.139 0.000 0.857 251 N CB -0.125 38.432 38.487 0.116 0.000 1.013 251 N HN 0.180 nan 8.380 nan 0.000 0.426 252 R N 0.601 121.245 120.500 0.240 0.000 2.075 252 R HA 0.055 4.395 4.340 -0.001 0.000 0.232 252 R C 2.366 178.808 176.300 0.238 0.000 1.126 252 R CA 0.439 56.673 56.100 0.223 0.000 0.963 252 R CB -0.908 29.526 30.300 0.224 0.000 0.858 252 R HN 0.322 nan 8.270 nan 0.000 0.435 253 L N 0.297 121.688 121.223 0.279 0.000 2.017 253 L HA -0.167 4.173 4.340 -0.001 0.000 0.208 253 L C 2.527 179.561 176.870 0.273 0.000 1.073 253 L CA 1.010 56.020 54.840 0.283 0.000 0.745 253 L CB -0.575 41.634 42.059 0.251 0.000 0.894 253 L HN -0.069 nan 8.230 nan 0.000 0.432 254 V N -0.012 120.017 119.914 0.191 0.000 2.252 254 V HA -0.334 3.786 4.120 -0.001 0.000 0.249 254 V C 2.544 178.705 176.094 0.111 0.000 1.056 254 V CA 2.233 64.609 62.300 0.126 0.000 1.022 254 V CB -0.495 31.373 31.823 0.075 0.000 0.641 254 V HN 0.465 nan 8.190 nan 0.000 0.445 255 E N -0.117 120.156 120.200 0.122 0.000 2.153 255 E HA -0.239 4.110 4.350 -0.001 0.000 0.194 255 E C 1.845 178.512 176.600 0.112 0.000 0.988 255 E CA 1.454 57.906 56.400 0.086 0.000 0.811 255 E CB -0.486 29.265 29.700 0.084 0.000 0.746 255 E HN 0.588 nan 8.360 nan 0.000 0.466 256 F N 0.022 120.007 119.950 0.058 0.000 2.102 256 F HA -0.225 4.301 4.527 -0.000 0.000 0.298 256 F C 2.101 177.953 175.800 0.086 0.000 1.105 256 F CA 1.725 59.766 58.000 0.070 0.000 1.239 256 F CB -0.663 38.391 39.000 0.090 0.000 0.991 256 F HN 0.115 nan 8.300 nan 0.000 0.474 257 C N -0.141 119.177 119.300 0.030 0.000 2.429 257 C HA -0.125 4.335 4.460 -0.001 0.000 0.277 257 C C 2.852 177.715 174.990 -0.212 0.000 1.262 257 C CA 0.986 59.968 59.018 -0.060 0.000 1.733 257 C CB -1.208 26.615 27.740 0.139 0.000 2.010 257 C HN 0.453 nan 8.230 nan 0.000 0.483 258 V N 0.767 120.584 119.914 -0.162 0.000 2.287 258 V HA -0.259 3.860 4.120 -0.001 0.000 0.248 258 V C 2.669 178.690 176.094 -0.121 0.000 1.053 258 V CA 1.873 64.069 62.300 -0.174 0.000 1.027 258 V CB -0.690 31.053 31.823 -0.134 0.000 0.646 258 V HN 0.545 nan 8.190 nan 0.000 0.447 259 Q N -0.445 119.273 119.800 -0.137 0.000 2.119 259 Q HA -0.216 4.124 4.340 -0.001 0.000 0.201 259 Q C 2.056 177.965 176.000 -0.152 0.000 0.972 259 Q CA 1.937 57.669 55.803 -0.120 0.000 0.847 259 Q CB -0.575 28.102 28.738 -0.102 0.000 0.903 259 Q HN 0.783 nan 8.270 nan 0.000 0.433 260 D N -0.138 120.086 120.400 -0.293 0.000 2.123 260 D HA -0.179 4.460 4.640 -0.001 0.000 0.196 260 D C 1.661 177.948 176.300 -0.023 0.000 0.992 260 D CA 0.834 54.700 54.000 -0.223 0.000 0.833 260 D CB -0.199 40.386 40.800 -0.357 0.000 0.954 260 D HN 0.181 nan 8.370 nan 0.000 0.455 261 F N 0.951 120.804 119.950 -0.162 0.000 2.134 261 F HA -0.067 4.459 4.527 -0.001 0.000 0.299 261 F C 2.094 177.845 175.800 -0.082 0.000 1.097 261 F CA 1.339 59.257 58.000 -0.137 0.000 1.264 261 F CB -0.026 38.746 39.000 -0.380 0.000 1.001 261 F HN -0.150 nan 8.300 nan 0.000 0.479 262 K N 0.016 120.474 120.400 0.096 0.000 1.991 262 K HA -0.256 4.063 4.320 -0.001 0.000 0.212 262 K C 2.250 178.814 176.600 -0.059 0.000 1.049 262 K CA 1.906 58.210 56.287 0.028 0.000 0.932 262 K CB -0.425 32.088 32.500 0.020 0.000 0.717 262 K HN 0.160 nan 8.250 nan 0.000 0.441 263 R N 1.319 121.784 120.500 -0.059 0.000 2.154 263 R HA -0.182 4.158 4.340 -0.001 0.000 0.248 263 R C 1.739 177.991 176.300 -0.081 0.000 1.155 263 R CA 1.791 57.856 56.100 -0.059 0.000 0.979 263 R CB 0.080 30.349 30.300 -0.052 0.000 0.869 263 R HN 0.125 nan 8.270 nan 0.000 0.452 264 K N -1.116 119.204 120.400 -0.133 0.000 2.262 264 K HA 0.052 4.372 4.320 -0.001 0.000 0.200 264 K C 0.161 176.626 176.600 -0.225 0.000 1.049 264 K CA 0.523 56.711 56.287 -0.164 0.000 0.979 264 K CB 0.427 32.823 32.500 -0.173 0.000 0.773 264 K HN 0.048 nan 8.250 nan 0.000 0.474 265 N N 1.422 119.938 118.700 -0.307 0.000 2.735 265 N HA 0.051 4.791 4.740 -0.001 0.000 0.312 265 N C -1.273 174.184 175.510 -0.089 0.000 1.843 265 N CA -0.174 52.722 53.050 -0.257 0.000 0.945 265 N CB 0.589 38.773 38.487 -0.506 0.000 1.299 265 N HN 0.128 nan 8.380 nan 0.000 0.489 266 R N -0.523 119.943 120.500 -0.058 0.000 3.109 266 R HA -0.247 4.093 4.340 -0.001 0.000 0.241 266 R C 0.558 176.867 176.300 0.016 0.000 0.882 266 R CA 0.945 57.036 56.100 -0.014 0.000 0.604 266 R CB -2.654 27.644 30.300 -0.004 0.000 1.040 266 R HN 0.333 nan 8.270 nan 0.000 0.480 267 G N 0.023 108.832 108.800 0.015 0.000 2.189 267 G HA2 -0.384 3.575 3.960 -0.001 0.000 0.267 267 G HA3 -0.384 3.575 3.960 -0.001 0.000 0.267 267 G C 0.387 175.331 174.900 0.072 0.000 0.975 267 G CA 0.528 45.649 45.100 0.034 0.000 0.644 267 G HN 0.529 nan 8.290 nan 0.000 0.537 268 M N 1.303 120.983 119.600 0.134 0.000 2.269 268 M HA 0.160 4.640 4.480 -0.001 0.000 0.350 268 M C 0.020 176.395 176.300 0.124 0.000 1.429 268 M CA 0.419 55.856 55.300 0.228 0.000 1.063 268 M CB 0.404 33.279 32.600 0.458 0.000 1.841 268 M HN 0.180 nan 8.290 nan 0.000 0.455 269 D N 3.415 123.777 120.400 -0.064 0.000 2.280 269 D HA 0.356 4.995 4.640 -0.001 0.000 0.236 269 D C 0.662 176.586 176.300 -0.625 0.000 1.082 269 D CA -0.161 53.703 54.000 -0.228 0.000 0.834 269 D CB 1.745 42.468 40.800 -0.128 0.000 1.100 269 D HN 0.542 nan 8.370 nan 0.000 0.486 270 L N 3.188 123.972 121.223 -0.732 0.000 2.217 270 L HA -0.084 4.256 4.340 -0.001 0.000 0.211 270 L C 2.473 179.007 176.870 -0.559 0.000 1.107 270 L CA 2.006 56.260 54.840 -0.978 0.000 0.783 270 L CB -1.937 39.595 42.059 -0.878 0.000 0.919 270 L HN 0.757 nan 8.230 nan 0.000 0.442 271 T N -4.644 109.702 114.554 -0.347 0.000 3.025 271 T HA -0.201 4.149 4.350 -0.001 0.000 0.270 271 T C 1.744 176.363 174.700 -0.135 0.000 1.126 271 T CA 1.662 63.648 62.100 -0.191 0.000 1.105 271 T CB -1.230 67.564 68.868 -0.124 0.000 0.884 271 T HN 0.584 nan 8.240 nan 0.000 0.522 272 T N 1.775 116.230 114.554 -0.165 0.000 2.833 272 T HA -0.029 4.321 4.350 -0.001 0.000 0.269 272 T C 0.942 175.666 174.700 0.041 0.000 1.054 272 T CA 0.754 62.832 62.100 -0.037 0.000 1.135 272 T CB -0.326 68.559 68.868 0.028 0.000 0.869 272 T HN 0.508 nan 8.240 nan 0.000 0.466 273 N N 0.331 119.051 118.700 0.033 0.000 2.421 273 N HA 0.432 5.171 4.740 -0.001 0.000 0.285 273 N C 0.870 176.388 175.510 0.014 0.000 1.027 273 N CA 0.038 53.146 53.050 0.097 0.000 0.918 273 N CB 1.733 40.377 38.487 0.262 0.000 1.152 273 N HN 0.120 nan 8.380 nan 0.000 0.485 274 A N 4.622 127.456 122.820 0.023 0.000 1.873 274 A HA -0.130 4.190 4.320 -0.001 0.000 0.215 274 A C 2.135 179.721 177.584 0.004 0.000 1.186 274 A CA 1.116 53.159 52.037 0.009 0.000 0.616 274 A CB -0.376 18.637 19.000 0.020 0.000 0.823 274 A HN 0.850 nan 8.150 nan 0.000 0.442 275 R N -0.167 120.342 120.500 0.015 0.000 2.080 275 R HA -0.138 4.201 4.340 -0.001 0.000 0.236 275 R C 2.271 178.571 176.300 -0.000 0.000 1.137 275 R CA 1.747 57.854 56.100 0.012 0.000 0.943 275 R CB -0.546 29.766 30.300 0.020 0.000 0.846 275 R HN 0.390 nan 8.270 nan 0.000 0.431 276 A N 1.015 123.833 122.820 -0.003 0.000 1.948 276 A HA -0.200 4.119 4.320 -0.001 0.000 0.220 276 A C 2.049 179.585 177.584 -0.080 0.000 1.177 276 A CA 1.496 53.505 52.037 -0.046 0.000 0.636 276 A CB -0.598 18.354 19.000 -0.079 0.000 0.815 276 A HN 0.413 nan 8.150 nan 0.000 0.449 277 L N -0.446 120.734 121.223 -0.072 0.000 2.044 277 L HA -0.055 4.285 4.340 -0.001 0.000 0.205 277 L C 2.520 179.371 176.870 -0.031 0.000 1.075 277 L CA 1.733 56.534 54.840 -0.066 0.000 0.747 277 L CB -0.612 41.412 42.059 -0.057 0.000 0.903 277 L HN 0.341 nan 8.230 nan 0.000 0.435 278 R N -0.748 119.741 120.500 -0.018 0.000 2.096 278 R HA -0.183 4.157 4.340 -0.001 0.000 0.240 278 R C 2.335 178.632 176.300 -0.005 0.000 1.139 278 R CA 1.885 57.980 56.100 -0.009 0.000 0.952 278 R CB -0.446 29.851 30.300 -0.006 0.000 0.854 278 R HN 0.375 nan 8.270 nan 0.000 0.436 279 R N 0.304 120.803 120.500 -0.003 0.000 2.081 279 R HA -0.117 4.223 4.340 -0.001 0.000 0.235 279 R C 2.330 178.641 176.300 0.019 0.000 1.131 279 R CA 1.025 57.131 56.100 0.010 0.000 0.960 279 R CB -0.446 29.864 30.300 0.016 0.000 0.856 279 R HN 0.108 nan 8.270 nan 0.000 0.436 280 L N 1.129 122.355 121.223 0.006 0.000 2.046 280 L HA -0.130 4.210 4.340 -0.001 0.000 0.208 280 L C 2.265 179.155 176.870 0.032 0.000 1.077 280 L CA 1.731 56.582 54.840 0.020 0.000 0.747 280 L CB -0.416 41.622 42.059 -0.035 0.000 0.896 280 L HN -0.031 nan 8.230 nan 0.000 0.432 281 R N -1.346 119.163 120.500 0.016 0.000 2.073 281 R HA -0.150 4.190 4.340 -0.001 0.000 0.234 281 R C 2.177 178.491 176.300 0.023 0.000 1.134 281 R CA 2.002 58.116 56.100 0.023 0.000 0.952 281 R CB -0.498 29.807 30.300 0.009 0.000 0.850 281 R HN 0.384 nan 8.270 nan 0.000 0.433 282 T N 0.617 115.178 114.554 0.013 0.000 2.665 282 T HA -0.164 4.185 4.350 -0.001 0.000 0.268 282 T C 1.645 176.356 174.700 0.019 0.000 1.035 282 T CA 1.223 63.328 62.100 0.009 0.000 1.151 282 T CB -0.098 68.771 68.868 0.002 0.000 0.862 282 T HN 0.246 nan 8.240 nan 0.000 0.438 283 Q N -0.358 119.461 119.800 0.032 0.000 2.378 283 Q HA 0.074 4.414 4.340 -0.001 0.000 0.205 283 Q C 2.530 178.554 176.000 0.040 0.000 0.954 283 Q CA 0.412 56.238 55.803 0.038 0.000 0.901 283 Q CB -0.487 28.285 28.738 0.058 0.000 0.981 283 Q HN 0.552 nan 8.270 nan 0.000 0.483 284 C N 0.428 119.758 119.300 0.051 0.000 2.476 284 C HA -0.099 4.361 4.460 -0.001 0.000 0.278 284 C C 2.659 177.660 174.990 0.020 0.000 1.274 284 C CA 0.877 59.928 59.018 0.056 0.000 1.713 284 C CB -0.486 27.308 27.740 0.090 0.000 2.039 284 C HN 0.577 nan 8.230 nan 0.000 0.484 285 E N 1.375 121.591 120.200 0.027 0.000 2.065 285 E HA -0.226 4.124 4.350 -0.001 0.000 0.201 285 E C 2.301 178.892 176.600 -0.014 0.000 1.016 285 E CA 1.771 58.181 56.400 0.016 0.000 0.818 285 E CB -0.269 29.446 29.700 0.025 0.000 0.749 285 E HN 0.475 nan 8.360 nan 0.000 0.453 286 R N -0.041 120.453 120.500 -0.011 0.000 2.096 286 R HA -0.032 4.307 4.340 -0.001 0.000 0.235 286 R C 2.416 178.689 176.300 -0.046 0.000 1.127 286 R CA 1.107 57.194 56.100 -0.022 0.000 0.968 286 R CB -0.599 29.696 30.300 -0.009 0.000 0.861 286 R HN 0.319 nan 8.270 nan 0.000 0.440 287 A N 1.945 124.736 122.820 -0.048 0.000 1.902 287 A HA -0.211 4.109 4.320 -0.001 0.000 0.217 287 A C 2.180 179.656 177.584 -0.181 0.000 1.181 287 A CA 1.586 53.575 52.037 -0.080 0.000 0.623 287 A CB -0.416 18.557 19.000 -0.046 0.000 0.818 287 A HN 0.256 nan 8.150 nan 0.000 0.443 288 K N -0.336 119.920 120.400 -0.241 0.000 2.032 288 K HA -0.195 4.125 4.320 -0.001 0.000 0.209 288 K C 2.261 178.705 176.600 -0.259 0.000 1.048 288 K CA 1.592 57.610 56.287 -0.448 0.000 0.927 288 K CB -0.213 32.093 32.500 -0.323 0.000 0.712 288 K HN 0.455 nan 8.250 nan 0.000 0.441 289 R N -0.165 120.260 120.500 -0.125 0.000 2.073 289 R HA -0.079 4.261 4.340 -0.001 0.000 0.234 289 R C 2.413 178.671 176.300 -0.071 0.000 1.134 289 R CA 2.019 58.076 56.100 -0.071 0.000 0.952 289 R CB -0.542 29.730 30.300 -0.046 0.000 0.850 289 R HN 0.255 nan 8.270 nan 0.000 0.433 290 T N 1.611 116.119 114.554 -0.076 0.000 2.759 290 T HA -0.095 4.254 4.350 -0.001 0.000 0.269 290 T C 1.639 176.303 174.700 -0.061 0.000 1.042 290 T CA 1.036 63.102 62.100 -0.057 0.000 1.140 290 T CB -0.095 68.742 68.868 -0.050 0.000 0.864 290 T HN 0.153 nan 8.240 nan 0.000 0.455 291 L N 1.012 122.175 121.223 -0.101 0.000 2.622 291 L HA 0.065 4.405 4.340 -0.001 0.000 0.233 291 L C 2.240 179.094 176.870 -0.027 0.000 1.156 291 L CA 0.322 55.115 54.840 -0.077 0.000 0.866 291 L CB -0.274 41.699 42.059 -0.144 0.000 0.980 291 L HN 0.191 nan 8.230 nan 0.000 0.448 292 S N -1.008 114.675 115.700 -0.030 0.000 2.496 292 S HA -0.037 4.432 4.470 -0.001 0.000 0.224 292 S C 1.760 176.358 174.600 -0.004 0.000 0.996 292 S CA 1.001 59.200 58.200 -0.002 0.000 0.927 292 S CB 0.170 63.368 63.200 -0.003 0.000 0.774 292 S HN 0.600 nan 8.310 nan 0.000 0.524 293 S N -0.779 114.914 115.700 -0.011 0.000 2.687 293 S HA 0.380 4.850 4.470 -0.001 0.000 0.247 293 S C 0.330 174.926 174.600 -0.007 0.000 1.050 293 S CA -0.513 57.682 58.200 -0.008 0.000 1.063 293 S CB 0.597 63.790 63.200 -0.011 0.000 1.039 293 S HN 0.108 nan 8.310 nan 0.000 0.580 294 S N 1.332 117.027 115.700 -0.009 0.000 2.632 294 S HA 0.534 5.004 4.470 -0.001 0.000 0.289 294 S C 0.557 175.156 174.600 -0.002 0.000 1.115 294 S CA -0.323 57.873 58.200 -0.007 0.000 0.889 294 S CB 1.858 65.051 63.200 -0.011 0.000 1.116 294 S HN 0.422 nan 8.310 nan 0.000 0.486 295 T N -0.923 113.632 114.554 0.002 0.000 3.107 295 T HA 0.229 4.579 4.350 -0.001 0.000 0.249 295 T C 0.052 174.755 174.700 0.005 0.000 1.096 295 T CA 0.121 62.226 62.100 0.009 0.000 1.012 295 T CB -0.008 68.866 68.868 0.009 0.000 0.977 295 T HN 0.372 nan 8.240 nan 0.000 0.527 296 Q N 0.269 120.067 119.800 -0.003 0.000 2.379 296 Q HA 0.785 5.124 4.340 -0.001 0.000 0.278 296 Q C -1.440 174.552 176.000 -0.014 0.000 1.068 296 Q CA -0.695 55.105 55.803 -0.005 0.000 0.816 296 Q CB 2.571 31.307 28.738 -0.003 0.000 1.387 296 Q HN 0.346 nan 8.270 nan 0.000 0.413 297 A N 0.900 123.711 122.820 -0.015 0.000 2.498 297 A HA 0.887 5.206 4.320 -0.001 0.000 0.298 297 A C -0.920 176.661 177.584 -0.005 0.000 1.075 297 A CA -0.527 51.499 52.037 -0.018 0.000 0.714 297 A CB 1.765 20.742 19.000 -0.039 0.000 1.299 297 A HN 0.512 nan 8.150 nan 0.000 0.407 298 T N 1.694 116.246 114.554 -0.003 0.000 2.807 298 T HA 0.593 4.943 4.350 -0.001 0.000 0.279 298 T C -0.439 174.267 174.700 0.010 0.000 0.993 298 T CA -0.021 62.079 62.100 -0.000 0.000 0.970 298 T CB 0.767 69.631 68.868 -0.007 0.000 0.950 298 T HN 0.444 nan 8.240 nan 0.000 0.441 299 I N 3.379 123.959 120.570 0.017 0.000 2.412 299 I HA 0.436 4.606 4.170 -0.001 0.000 0.296 299 I C 0.037 176.154 176.117 -0.001 0.000 0.987 299 I CA -0.580 60.745 61.300 0.042 0.000 1.180 299 I CB 1.307 39.379 38.000 0.119 0.000 1.340 299 I HN 0.724 nan 8.210 nan 0.000 0.455 300 E N 7.571 127.788 120.200 0.028 0.000 2.334 300 E HA 0.529 4.878 4.350 -0.001 0.000 0.280 300 E C -1.891 174.747 176.600 0.063 0.000 0.899 300 E CA -0.748 55.664 56.400 0.020 0.000 0.813 300 E CB 1.645 31.344 29.700 -0.002 0.000 1.318 300 E HN 0.459 nan 8.360 nan 0.000 0.399 301 L N 3.696 124.984 121.223 0.108 0.000 2.404 301 L HA 0.331 4.671 4.340 -0.001 0.000 0.272 301 L C -0.245 176.698 176.870 0.122 0.000 0.980 301 L CA -0.992 53.917 54.840 0.116 0.000 0.836 301 L CB 1.711 43.859 42.059 0.148 0.000 1.238 301 L HN 0.624 nan 8.230 nan 0.000 0.408 302 D N 1.377 121.829 120.400 0.086 0.000 2.341 302 D HA 0.049 4.689 4.640 -0.001 0.000 0.245 302 D C 0.011 176.362 176.300 0.086 0.000 1.106 302 D CA -0.230 53.819 54.000 0.082 0.000 0.905 302 D CB 1.483 42.316 40.800 0.055 0.000 1.202 302 D HN 0.516 nan 8.370 nan 0.000 0.426 303 S N 0.307 116.062 115.700 0.092 0.000 3.550 303 S HA -0.210 4.260 4.470 -0.001 0.000 0.372 303 S C 0.707 175.357 174.600 0.084 0.000 0.966 303 S CA 0.317 58.564 58.200 0.079 0.000 1.229 303 S CB -1.389 61.841 63.200 0.050 0.000 0.917 303 S HN 0.589 nan 8.310 nan 0.000 0.496 304 L N 0.365 121.661 121.223 0.121 0.000 1.993 304 L HA 0.119 4.458 4.340 -0.001 0.000 0.206 304 L C 1.716 178.639 176.870 0.089 0.000 1.074 304 L CA 2.102 56.997 54.840 0.091 0.000 0.746 304 L CB -0.553 41.564 42.059 0.097 0.000 0.896 304 L HN 0.596 nan 8.230 nan 0.000 0.435 305 Y N -0.311 119.947 120.300 -0.069 0.000 2.488 305 Y HA 0.253 4.803 4.550 -0.001 0.000 0.262 305 Y C 1.233 177.125 175.900 -0.013 0.000 1.108 305 Y CA 0.677 58.712 58.100 -0.109 0.000 1.299 305 Y CB 0.033 38.332 38.460 -0.268 0.000 1.231 305 Y HN 0.251 nan 8.280 nan 0.000 0.507 306 E N 0.231 120.344 120.200 -0.145 0.000 3.388 306 E HA 0.345 4.695 4.350 -0.001 0.000 0.214 306 E C 0.503 177.074 176.600 -0.048 0.000 1.040 306 E CA 0.361 56.610 56.400 -0.252 0.000 1.327 306 E CB -0.121 29.356 29.700 -0.371 0.000 1.243 306 E HN 0.671 nan 8.360 nan 0.000 0.444 307 G N -0.187 108.616 108.800 0.005 0.000 2.189 307 G HA2 -0.372 3.588 3.960 -0.001 0.000 0.267 307 G HA3 -0.372 3.588 3.960 -0.001 0.000 0.267 307 G C 0.606 175.562 174.900 0.093 0.000 0.975 307 G CA 0.242 45.367 45.100 0.042 0.000 0.644 307 G HN 0.630 nan 8.290 nan 0.000 0.537 308 I N 0.975 121.641 120.570 0.160 0.000 2.517 308 I HA 0.538 4.708 4.170 -0.001 0.000 0.285 308 I C 0.433 176.718 176.117 0.280 0.000 1.106 308 I CA -0.180 61.267 61.300 0.245 0.000 1.402 308 I CB 0.010 38.278 38.000 0.446 0.000 1.399 308 I HN 0.217 nan 8.210 nan 0.000 0.535 309 D N 3.919 124.449 120.400 0.217 0.000 2.339 309 D HA 0.481 5.121 4.640 -0.001 0.000 0.245 309 D C -1.021 175.477 176.300 0.330 0.000 1.115 309 D CA 0.655 54.784 54.000 0.215 0.000 0.917 309 D CB 1.698 42.572 40.800 0.123 0.000 1.192 309 D HN 0.696 nan 8.370 nan 0.000 0.428 310 Y N 0.328 120.727 120.300 0.166 0.000 2.421 310 Y HA 0.367 4.918 4.550 0.000 0.000 0.339 310 Y C -1.088 174.883 175.900 0.117 0.000 0.996 310 Y CA -0.724 57.488 58.100 0.187 0.000 1.046 310 Y CB 1.526 40.149 38.460 0.271 0.000 1.226 310 Y HN 0.359 nan 8.280 nan 0.000 0.445 311 S N 5.046 120.350 115.700 -0.659 0.000 2.536 311 S HA 0.859 5.329 4.470 -0.001 0.000 0.271 311 S C -2.159 172.061 174.600 -0.634 0.000 1.134 311 S CA -0.716 57.179 58.200 -0.508 0.000 0.897 311 S CB 1.559 64.639 63.200 -0.200 0.000 1.094 311 S HN 1.058 nan 8.310 nan 0.000 0.473 312 V N 1.130 120.818 119.914 -0.376 0.000 2.969 312 V HA 0.827 4.947 4.120 -0.001 0.000 0.304 312 V C -0.815 175.271 176.094 -0.015 0.000 1.192 312 V CA -0.204 62.003 62.300 -0.155 0.000 0.962 312 V CB 1.972 33.774 31.823 -0.035 0.000 1.045 312 V HN 1.672 nan 8.190 nan 0.000 0.428 313 A N 7.030 129.864 122.820 0.025 0.000 2.274 313 A HA 0.841 5.161 4.320 -0.001 0.000 0.309 313 A C -0.638 176.979 177.584 0.055 0.000 1.226 313 A CA -0.362 51.692 52.037 0.029 0.000 0.853 313 A CB 0.238 19.248 19.000 0.017 0.000 1.146 313 A HN 0.783 nan 8.150 nan 0.000 0.518 314 I N 2.869 123.458 120.570 0.030 0.000 2.389 314 I HA 0.270 4.439 4.170 -0.001 0.000 0.288 314 I C 0.642 176.749 176.117 -0.018 0.000 0.999 314 I CA -0.332 60.962 61.300 -0.011 0.000 1.129 314 I CB 2.106 40.097 38.000 -0.016 0.000 1.288 314 I HN 0.740 nan 8.210 nan 0.000 0.444 315 S N 5.585 121.270 115.700 -0.025 0.000 2.652 315 S HA 0.370 4.840 4.470 -0.001 0.000 0.270 315 S C 1.051 175.668 174.600 0.029 0.000 1.243 315 S CA -0.649 57.550 58.200 -0.002 0.000 0.999 315 S CB 1.874 65.071 63.200 -0.005 0.000 0.973 315 S HN 0.752 nan 8.310 nan 0.000 0.544 316 R N 0.602 121.130 120.500 0.047 0.000 2.081 316 R HA -0.105 4.235 4.340 -0.001 0.000 0.235 316 R C 2.334 178.699 176.300 0.108 0.000 1.131 316 R CA 1.489 57.653 56.100 0.106 0.000 0.960 316 R CB -1.082 29.267 30.300 0.082 0.000 0.856 316 R HN 0.859 nan 8.270 nan 0.000 0.436 317 A N 1.123 123.969 122.820 0.044 0.000 1.908 317 A HA -0.237 4.082 4.320 -0.001 0.000 0.218 317 A C 2.147 179.719 177.584 -0.020 0.000 1.181 317 A CA 1.744 53.788 52.037 0.012 0.000 0.627 317 A CB -0.560 18.439 19.000 -0.002 0.000 0.818 317 A HN 0.410 nan 8.150 nan 0.000 0.445 318 R N -1.322 119.158 120.500 -0.033 0.000 2.081 318 R HA -0.146 4.194 4.340 -0.001 0.000 0.235 318 R C 1.826 178.077 176.300 -0.080 0.000 1.131 318 R CA 1.948 57.987 56.100 -0.102 0.000 0.960 318 R CB -0.729 29.461 30.300 -0.184 0.000 0.856 318 R HN 0.449 nan 8.270 nan 0.000 0.436 319 F N 1.727 121.593 119.950 -0.138 0.000 2.102 319 F HA -0.100 4.426 4.527 -0.001 0.000 0.298 319 F C 1.601 177.329 175.800 -0.119 0.000 1.105 319 F CA 2.009 59.946 58.000 -0.105 0.000 1.239 319 F CB -0.330 38.652 39.000 -0.030 0.000 0.991 319 F HN 0.149 nan 8.300 nan 0.000 0.474 320 E N -0.269 119.810 120.200 -0.203 0.000 2.204 320 E HA -0.217 4.132 4.350 -0.001 0.000 0.195 320 E C 2.008 178.380 176.600 -0.380 0.000 0.990 320 E CA 1.458 57.681 56.400 -0.296 0.000 0.821 320 E CB -0.175 29.501 29.700 -0.040 0.000 0.750 320 E HN 0.563 nan 8.360 nan 0.000 0.477 321 E N 0.339 120.382 120.200 -0.262 0.000 2.112 321 E HA -0.062 4.288 4.350 -0.001 0.000 0.190 321 E C 1.915 178.351 176.600 -0.272 0.000 0.979 321 E CA 0.417 56.682 56.400 -0.225 0.000 0.814 321 E CB 0.134 29.750 29.700 -0.139 0.000 0.762 321 E HN 0.170 nan 8.360 nan 0.000 0.460 322 L N -0.267 120.783 121.223 -0.289 0.000 2.201 322 L HA -0.138 4.202 4.340 -0.001 0.000 0.212 322 L C 1.403 178.064 176.870 -0.348 0.000 1.105 322 L CA 0.481 55.179 54.840 -0.238 0.000 0.775 322 L CB 0.089 42.070 42.059 -0.130 0.000 0.913 322 L HN 0.270 nan 8.230 nan 0.000 0.440 323 C N -0.908 118.008 119.300 -0.640 0.000 2.881 323 C HA 0.397 4.857 4.460 -0.001 0.000 0.290 323 C C 2.489 176.874 174.990 -1.009 0.000 1.362 323 C CA -0.349 58.146 59.018 -0.871 0.000 1.757 323 C CB -0.754 26.068 27.740 -1.529 0.000 2.265 323 C HN 0.494 nan 8.230 nan 0.000 0.600 324 A N 2.568 124.999 122.820 -0.648 0.000 1.883 324 A HA -0.231 4.089 4.320 -0.001 0.000 0.217 324 A C 1.968 179.374 177.584 -0.297 0.000 1.186 324 A CA 2.534 54.312 52.037 -0.432 0.000 0.624 324 A CB -0.495 18.348 19.000 -0.262 0.000 0.822 324 A HN 0.650 nan 8.150 nan 0.000 0.444 325 D N -1.027 119.188 120.400 -0.307 0.000 2.104 325 D HA -0.236 4.403 4.640 -0.001 0.000 0.194 325 D C 1.642 177.870 176.300 -0.121 0.000 0.994 325 D CA 1.702 55.567 54.000 -0.226 0.000 0.830 325 D CB -0.940 39.684 40.800 -0.293 0.000 0.959 325 D HN 0.484 nan 8.370 nan 0.000 0.452 326 Y N 0.100 120.328 120.300 -0.120 0.000 2.165 326 Y HA -0.115 4.435 4.550 -0.001 0.000 0.286 326 Y C 2.426 178.405 175.900 0.131 0.000 1.155 326 Y CA 0.532 58.650 58.100 0.029 0.000 1.164 326 Y CB -0.741 37.798 38.460 0.132 0.000 0.978 326 Y HN -0.084 nan 8.280 nan 0.000 0.513 327 F N -0.254 119.691 119.950 -0.010 0.000 2.206 327 F HA -0.089 4.437 4.527 -0.001 0.000 0.298 327 F C 2.286 178.063 175.800 -0.038 0.000 1.090 327 F CA 0.897 58.843 58.000 -0.091 0.000 1.323 327 F CB -1.146 37.741 39.000 -0.189 0.000 1.028 327 F HN 0.000 nan 8.300 nan 0.000 0.492 328 R N 0.131 120.720 120.500 0.148 0.000 2.096 328 R HA -0.082 4.257 4.340 -0.001 0.000 0.235 328 R C 2.305 178.653 176.300 0.081 0.000 1.127 328 R CA 1.187 57.336 56.100 0.081 0.000 0.968 328 R CB -0.704 29.616 30.300 0.033 0.000 0.861 328 R HN 0.204 nan 8.270 nan 0.000 0.440 329 A N 0.935 123.816 122.820 0.101 0.000 2.070 329 A HA -0.152 4.168 4.320 -0.001 0.000 0.220 329 A C 2.167 179.821 177.584 0.117 0.000 1.159 329 A CA 1.831 53.933 52.037 0.109 0.000 0.656 329 A CB -0.749 18.339 19.000 0.147 0.000 0.800 329 A HN 0.514 nan 8.150 nan 0.000 0.453 330 T N -2.013 112.586 114.554 0.075 0.000 2.962 330 T HA 0.014 4.363 4.350 -0.001 0.000 0.270 330 T C 1.575 176.440 174.700 0.275 0.000 1.088 330 T CA 1.217 63.332 62.100 0.024 0.000 1.127 330 T CB -0.461 68.335 68.868 -0.121 0.000 0.883 330 T HN 0.343 nan 8.240 nan 0.000 0.493 331 L N 0.325 121.620 121.223 0.120 0.000 2.478 331 L HA 0.282 4.621 4.340 -0.001 0.000 0.223 331 L C 3.090 179.900 176.870 -0.099 0.000 1.140 331 L CA 0.512 55.312 54.840 -0.067 0.000 0.842 331 L CB -0.556 41.374 42.059 -0.216 0.000 0.953 331 L HN 0.370 nan 8.230 nan 0.000 0.452 332 A N 0.987 123.824 122.820 0.028 0.000 1.897 332 A HA -0.036 4.284 4.320 -0.001 0.000 0.215 332 A C -0.169 177.432 177.584 0.028 0.000 1.181 332 A CA 1.107 53.160 52.037 0.025 0.000 0.620 332 A CB -1.503 17.530 19.000 0.055 0.000 0.821 332 A HN 0.232 nan 8.150 nan 0.000 0.443 333 P HA -0.070 nan 4.420 nan 0.000 0.220 333 P C 1.477 178.765 177.300 -0.020 0.000 1.148 333 P CA 0.924 64.024 63.100 -0.001 0.000 0.803 333 P CB -0.062 31.590 31.700 -0.080 0.000 0.782 334 V N 0.182 120.094 119.914 -0.004 0.000 2.358 334 V HA -0.231 3.889 4.120 -0.001 0.000 0.246 334 V C 2.197 178.291 176.094 0.001 0.000 1.047 334 V CA 1.809 64.109 62.300 -0.001 0.000 1.035 334 V CB -1.125 30.625 31.823 -0.122 0.000 0.658 334 V HN 0.206 nan 8.190 nan 0.000 0.452 335 E N -0.056 120.116 120.200 -0.045 0.000 2.106 335 E HA -0.218 4.131 4.350 -0.001 0.000 0.192 335 E C 2.269 178.902 176.600 0.056 0.000 0.984 335 E CA 1.014 57.447 56.400 0.056 0.000 0.806 335 E CB -0.114 29.620 29.700 0.056 0.000 0.750 335 E HN 0.505 nan 8.360 nan 0.000 0.458 336 K N 1.189 121.607 120.400 0.029 0.000 2.057 336 K HA -0.133 4.186 4.320 -0.001 0.000 0.206 336 K C 2.333 178.952 176.600 0.030 0.000 1.050 336 K CA 1.409 57.712 56.287 0.026 0.000 0.935 336 K CB -0.016 32.490 32.500 0.010 0.000 0.715 336 K HN 0.128 nan 8.250 nan 0.000 0.439 337 V N -0.402 119.530 119.914 0.030 0.000 2.407 337 V HA -0.210 3.910 4.120 -0.001 0.000 0.248 337 V C 2.135 178.266 176.094 0.062 0.000 1.055 337 V CA 1.441 63.765 62.300 0.039 0.000 1.049 337 V CB -0.688 31.157 31.823 0.037 0.000 0.662 337 V HN 0.206 nan 8.190 nan 0.000 0.455 338 L N -0.073 121.202 121.223 0.086 0.000 2.056 338 L HA -0.099 4.240 4.340 -0.001 0.000 0.207 338 L C 2.757 179.668 176.870 0.068 0.000 1.078 338 L CA 2.184 57.081 54.840 0.096 0.000 0.749 338 L CB -0.601 41.540 42.059 0.136 0.000 0.901 338 L HN 0.358 nan 8.230 nan 0.000 0.433 339 K N 0.449 120.886 120.400 0.061 0.000 2.025 339 K HA -0.185 4.135 4.320 -0.001 0.000 0.207 339 K C 1.670 178.292 176.600 0.037 0.000 1.049 339 K CA 1.674 57.989 56.287 0.046 0.000 0.933 339 K CB -0.232 32.293 32.500 0.042 0.000 0.714 339 K HN 0.087 nan 8.250 nan 0.000 0.438 340 D N -0.200 120.222 120.400 0.035 0.000 2.182 340 D HA -0.113 4.527 4.640 -0.001 0.000 0.201 340 D C 1.314 177.633 176.300 0.032 0.000 0.986 340 D CA 1.469 55.487 54.000 0.030 0.000 0.847 340 D CB -0.134 40.682 40.800 0.027 0.000 0.942 340 D HN 0.391 nan 8.370 nan 0.000 0.467 341 A N -0.516 122.327 122.820 0.039 0.000 2.251 341 A HA 0.424 4.744 4.320 -0.001 0.000 0.209 341 A C 1.613 179.218 177.584 0.036 0.000 1.187 341 A CA 0.800 52.861 52.037 0.039 0.000 0.823 341 A CB -0.231 18.797 19.000 0.047 0.000 0.846 341 A HN 0.201 nan 8.150 nan 0.000 0.486 342 G N -0.598 108.222 108.800 0.034 0.000 2.295 342 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.287 342 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.287 342 G C -0.054 174.864 174.900 0.030 0.000 1.055 342 G CA 0.810 45.927 45.100 0.029 0.000 0.922 342 G HN 0.781 nan 8.290 nan 0.000 0.503 343 M N 0.157 119.780 119.600 0.037 0.000 2.465 343 M HA 0.507 4.987 4.480 -0.001 0.000 0.316 343 M C -0.899 175.424 176.300 0.038 0.000 1.121 343 M CA -0.979 54.343 55.300 0.036 0.000 0.934 343 M CB 1.477 34.105 32.600 0.046 0.000 1.692 343 M HN 0.123 nan 8.290 nan 0.000 0.444 344 D N 3.087 123.500 120.400 0.022 0.000 2.210 344 D HA 0.140 4.780 4.640 -0.001 0.000 0.249 344 D C 0.535 176.847 176.300 0.019 0.000 1.062 344 D CA -0.014 53.990 54.000 0.007 0.000 0.891 344 D CB 1.484 42.278 40.800 -0.011 0.000 1.186 344 D HN 0.803 nan 8.370 nan 0.000 0.432 345 K N 3.599 123.992 120.400 -0.012 0.000 2.211 345 K HA -0.149 4.171 4.320 -0.001 0.000 0.204 345 K C 1.257 177.910 176.600 0.088 0.000 1.047 345 K CA 0.843 57.139 56.287 0.016 0.000 0.935 345 K CB 0.089 32.367 32.500 -0.370 0.000 0.728 345 K HN 0.288 nan 8.250 nan 0.000 0.452 346 R N 0.852 121.349 120.500 -0.004 0.000 2.193 346 R HA -0.003 4.337 4.340 -0.001 0.000 0.229 346 R C 1.831 178.120 176.300 -0.019 0.000 1.110 346 R CA 1.225 57.327 56.100 0.003 0.000 0.988 346 R CB -0.270 30.016 30.300 -0.024 0.000 0.871 346 R HN 0.271 nan 8.270 nan 0.000 0.458 347 S N 0.543 116.218 115.700 -0.041 0.000 2.562 347 S HA 0.048 4.518 4.470 -0.001 0.000 0.221 347 S C 0.818 175.206 174.600 -0.352 0.000 0.975 347 S CA -0.008 58.105 58.200 -0.145 0.000 0.918 347 S CB 0.263 63.419 63.200 -0.074 0.000 0.772 347 S HN -0.045 nan 8.310 nan 0.000 0.531 348 V N 2.759 122.569 119.914 -0.173 0.000 2.470 348 V HA 0.093 4.212 4.120 -0.001 0.000 0.276 348 V C 0.779 176.697 176.094 -0.292 0.000 1.040 348 V CA 0.130 62.313 62.300 -0.195 0.000 1.008 348 V CB 0.503 32.325 31.823 -0.002 0.000 0.990 348 V HN 0.454 nan 8.190 nan 0.000 0.477 349 H N 1.174 120.225 119.070 -0.032 0.000 2.520 349 H HA 0.218 4.773 4.556 -0.001 0.000 0.279 349 H C -0.131 175.140 175.328 -0.095 0.000 0.990 349 H CA 0.315 56.333 56.048 -0.049 0.000 1.288 349 H CB 0.496 30.241 29.762 -0.029 0.000 1.446 349 H HN 0.587 nan 8.280 nan 0.000 0.538 350 D N 0.663 121.041 120.400 -0.036 0.000 2.936 350 D HA 0.224 4.863 4.640 -0.001 0.000 0.238 350 D C -1.006 175.166 176.300 -0.214 0.000 1.248 350 D CA -0.347 53.580 54.000 -0.122 0.000 0.903 350 D CB 3.331 44.080 40.800 -0.085 0.000 1.544 350 D HN -0.143 nan 8.370 nan 0.000 0.543 351 V N 2.141 121.873 119.914 -0.303 0.000 2.347 351 V HA 0.292 4.411 4.120 -0.001 0.000 0.280 351 V C 0.160 176.108 176.094 -0.243 0.000 1.021 351 V CA -0.695 61.405 62.300 -0.334 0.000 0.847 351 V CB 1.677 33.181 31.823 -0.533 0.000 0.990 351 V HN 0.296 nan 8.190 nan 0.000 0.444 352 V N 6.729 126.546 119.914 -0.162 0.000 2.370 352 V HA 0.437 4.557 4.120 -0.001 0.000 0.283 352 V C -0.029 176.059 176.094 -0.010 0.000 1.023 352 V CA -0.527 61.672 62.300 -0.169 0.000 0.857 352 V CB 1.599 33.335 31.823 -0.145 0.000 0.985 352 V HN 0.632 nan 8.190 nan 0.000 0.443 353 L N 5.858 127.076 121.223 -0.007 0.000 2.276 353 L HA 0.666 5.005 4.340 -0.001 0.000 0.286 353 L C -0.468 176.483 176.870 0.135 0.000 1.061 353 L CA -0.355 54.544 54.840 0.098 0.000 0.807 353 L CB 1.405 43.484 42.059 0.034 0.000 1.177 353 L HN 0.367 nan 8.230 nan 0.000 0.429 354 V N 1.494 121.516 119.914 0.180 0.000 3.007 354 V HA 0.899 5.018 4.120 -0.001 0.000 0.311 354 V C 0.135 176.317 176.094 0.146 0.000 1.120 354 V CA -0.486 61.898 62.300 0.140 0.000 0.980 354 V CB 1.929 33.821 31.823 0.115 0.000 1.033 354 V HN 0.977 nan 8.190 nan 0.000 0.429 355 G N 2.104 110.964 108.800 0.100 0.000 2.895 355 G HA2 0.191 4.151 3.960 -0.001 0.000 0.686 355 G HA3 0.191 4.151 3.960 -0.001 0.000 0.686 355 G C 0.672 175.618 174.900 0.077 0.000 1.108 355 G CA -0.050 45.104 45.100 0.091 0.000 0.761 355 G HN 1.494 nan 8.290 nan 0.000 0.611 356 G N 0.178 108.998 108.800 0.033 0.000 2.432 356 G HA2 0.049 4.008 3.960 -0.001 0.000 0.219 356 G HA3 0.049 4.008 3.960 -0.001 0.000 0.219 356 G C 1.973 176.903 174.900 0.049 0.000 1.135 356 G CA 1.878 46.980 45.100 0.004 0.000 0.767 356 G HN 1.365 nan 8.290 nan 0.000 0.550 357 S N 0.503 116.261 115.700 0.097 0.000 2.507 357 S HA -0.094 4.375 4.470 -0.001 0.000 0.235 357 S C 2.504 177.184 174.600 0.133 0.000 0.988 357 S CA 1.456 59.753 58.200 0.163 0.000 0.944 357 S CB -0.299 63.051 63.200 0.250 0.000 0.762 357 S HN 0.711 nan 8.310 nan 0.000 0.526 358 T N 0.158 114.788 114.554 0.126 0.000 3.113 358 T HA 0.066 4.415 4.350 -0.001 0.000 0.263 358 T C 1.452 176.165 174.700 0.021 0.000 1.143 358 T CA 0.379 62.536 62.100 0.096 0.000 1.090 358 T CB -0.249 68.706 68.868 0.145 0.000 0.922 358 T HN 0.306 nan 8.240 nan 0.000 0.521 359 R N 0.364 120.880 120.500 0.026 0.000 2.235 359 R HA 0.243 4.582 4.340 -0.001 0.000 0.213 359 R C 0.408 176.704 176.300 -0.006 0.000 1.059 359 R CA 0.260 56.364 56.100 0.007 0.000 0.997 359 R CB -0.387 29.919 30.300 0.009 0.000 0.884 359 R HN 0.475 nan 8.270 nan 0.000 0.462 360 I N 2.750 123.311 120.570 -0.016 0.000 2.578 360 I HA -0.010 4.160 4.170 -0.001 0.000 0.286 360 I C -1.525 174.541 176.117 -0.086 0.000 1.126 360 I CA -1.526 59.754 61.300 -0.034 0.000 1.380 360 I CB 0.920 38.845 38.000 -0.124 0.000 1.408 360 I HN -0.188 nan 8.210 nan 0.000 0.532 361 P HA -0.229 nan 4.420 nan 0.000 0.216 361 P C 1.555 178.812 177.300 -0.071 0.000 1.153 361 P CA 1.184 64.260 63.100 -0.039 0.000 0.858 361 P CB 0.199 31.898 31.700 -0.001 0.000 0.789 362 K N -0.072 120.286 120.400 -0.071 0.000 2.063 362 K HA -0.108 4.211 4.320 -0.001 0.000 0.208 362 K C 1.822 178.306 176.600 -0.193 0.000 1.048 362 K CA 1.393 57.634 56.287 -0.077 0.000 0.928 362 K CB -1.257 31.266 32.500 0.038 0.000 0.713 362 K HN -0.100 nan 8.250 nan 0.000 0.442 363 V N 1.112 120.789 119.914 -0.395 0.000 2.343 363 V HA -0.255 3.865 4.120 -0.001 0.000 0.247 363 V C 2.300 178.234 176.094 -0.266 0.000 1.051 363 V CA 2.008 64.064 62.300 -0.406 0.000 1.036 363 V CB -0.482 31.050 31.823 -0.486 0.000 0.654 363 V HN 0.439 nan 8.190 nan 0.000 0.451 364 Q N -0.403 119.275 119.800 -0.205 0.000 2.119 364 Q HA -0.130 4.209 4.340 -0.001 0.000 0.201 364 Q C 2.380 178.313 176.000 -0.112 0.000 0.972 364 Q CA 1.613 57.317 55.803 -0.165 0.000 0.847 364 Q CB -0.336 28.336 28.738 -0.109 0.000 0.903 364 Q HN 0.684 nan 8.270 nan 0.000 0.433 365 A N 0.722 123.492 122.820 -0.083 0.000 1.929 365 A HA -0.103 4.216 4.320 -0.001 0.000 0.216 365 A C 2.033 179.605 177.584 -0.020 0.000 1.176 365 A CA 0.811 52.825 52.037 -0.038 0.000 0.628 365 A CB -0.492 18.494 19.000 -0.024 0.000 0.816 365 A HN 0.257 nan 8.150 nan 0.000 0.444 366 L N -0.574 120.627 121.223 -0.038 0.000 2.046 366 L HA -0.173 4.167 4.340 -0.001 0.000 0.208 366 L C 2.450 179.337 176.870 0.029 0.000 1.077 366 L CA 1.287 56.127 54.840 -0.001 0.000 0.747 366 L CB -0.489 41.564 42.059 -0.011 0.000 0.896 366 L HN 0.380 nan 8.230 nan 0.000 0.432 367 I N -0.746 119.798 120.570 -0.043 0.000 2.202 367 I HA -0.304 3.865 4.170 -0.001 0.000 0.242 367 I C 2.674 178.910 176.117 0.198 0.000 1.091 367 I CA 1.231 62.542 61.300 0.019 0.000 1.368 367 I CB -0.298 37.551 38.000 -0.252 0.000 1.058 367 I HN 0.332 nan 8.210 nan 0.000 0.410 368 Q N 0.909 120.760 119.800 0.085 0.000 2.170 368 Q HA -0.275 4.065 4.340 -0.001 0.000 0.203 368 Q C 2.136 178.213 176.000 0.128 0.000 0.976 368 Q CA 1.776 57.645 55.803 0.109 0.000 0.858 368 Q CB 0.024 28.780 28.738 0.030 0.000 0.907 368 Q HN 0.519 nan 8.270 nan 0.000 0.433 369 E N -0.513 119.746 120.200 0.097 0.000 2.047 369 E HA -0.206 4.144 4.350 -0.001 0.000 0.191 369 E C 1.729 178.375 176.600 0.077 0.000 0.987 369 E CA 0.956 57.399 56.400 0.072 0.000 0.799 369 E CB -0.309 29.424 29.700 0.056 0.000 0.752 369 E HN 0.411 nan 8.360 nan 0.000 0.449 370 F N 0.635 120.556 119.950 -0.049 0.000 2.115 370 F HA -0.193 4.334 4.527 -0.001 0.000 0.300 370 F C 1.166 176.804 175.800 -0.269 0.000 1.092 370 F CA 1.441 59.340 58.000 -0.168 0.000 1.245 370 F CB -0.225 38.636 39.000 -0.232 0.000 0.995 370 F HN 0.003 nan 8.300 nan 0.000 0.481 371 F N 1.587 121.563 119.950 0.044 0.000 2.843 371 F HA 0.176 4.702 4.527 -0.001 0.000 0.290 371 F C 0.664 176.416 175.800 -0.079 0.000 1.221 371 F CA 0.107 58.069 58.000 -0.063 0.000 1.413 371 F CB -1.501 37.517 39.000 0.031 0.000 1.019 371 F HN 0.044 nan 8.300 nan 0.000 0.512 372 N N 0.374 119.066 118.700 -0.014 0.000 2.710 372 N HA -0.251 4.489 4.740 -0.001 0.000 0.249 372 N C 1.151 176.677 175.510 0.026 0.000 1.059 372 N CA 0.315 53.357 53.050 -0.014 0.000 0.720 372 N CB -1.148 37.314 38.487 -0.041 0.000 0.983 372 N HN 0.671 nan 8.380 nan 0.000 0.544 373 G N -0.454 108.377 108.800 0.050 0.000 2.157 373 G HA2 -0.383 3.577 3.960 -0.001 0.000 0.239 373 G HA3 -0.383 3.577 3.960 -0.001 0.000 0.239 373 G C 0.040 174.961 174.900 0.035 0.000 0.982 373 G CA 0.385 45.506 45.100 0.035 0.000 0.650 373 G HN 0.598 nan 8.290 nan 0.000 0.527 374 K N 1.265 121.699 120.400 0.057 0.000 2.451 374 K HA 0.256 4.575 4.320 -0.001 0.000 0.280 374 K C 0.376 176.969 176.600 -0.012 0.000 1.020 374 K CA -0.099 56.201 56.287 0.021 0.000 1.008 374 K CB 0.197 32.709 32.500 0.019 0.000 0.917 374 K HN 0.418 nan 8.250 nan 0.000 0.478 375 E N 5.787 125.968 120.200 -0.031 0.000 2.324 375 E HA 0.073 4.423 4.350 -0.001 0.000 0.271 375 E C -1.978 174.570 176.600 -0.087 0.000 1.028 375 E CA -1.684 54.688 56.400 -0.046 0.000 0.890 375 E CB 0.566 30.244 29.700 -0.036 0.000 1.004 375 E HN 0.510 nan 8.360 nan 0.000 0.431 376 P HA 0.035 nan 4.420 nan 0.000 0.274 376 P C -0.522 176.683 177.300 -0.158 0.000 1.237 376 P CA -0.490 62.520 63.100 -0.150 0.000 0.793 376 P CB 0.629 32.247 31.700 -0.136 0.000 0.977 377 C N 2.321 121.468 119.300 -0.255 0.000 2.442 377 C HA 0.217 4.676 4.460 -0.001 0.000 0.362 377 C C 1.505 176.349 174.990 -0.242 0.000 1.242 377 C CA -0.020 58.773 59.018 -0.374 0.000 1.741 377 C CB -1.713 25.494 27.740 -0.890 0.000 2.378 377 C HN 0.633 nan 8.230 nan 0.000 0.549 378 K N 1.553 121.944 120.400 -0.015 0.000 2.589 378 K HA 0.348 4.668 4.320 -0.001 0.000 0.198 378 K C 0.969 177.659 176.600 0.150 0.000 1.114 378 K CA 0.084 56.427 56.287 0.093 0.000 1.070 378 K CB 0.078 32.589 32.500 0.019 0.000 0.860 378 K HN 0.442 nan 8.250 nan 0.000 0.536 379 A N 1.215 124.169 122.820 0.224 0.000 2.121 379 A HA 0.167 4.487 4.320 -0.001 0.000 0.218 379 A C 0.814 178.385 177.584 -0.023 0.000 1.154 379 A CA 0.360 52.454 52.037 0.095 0.000 0.679 379 A CB -0.369 18.691 19.000 0.100 0.000 0.795 379 A HN 0.386 nan 8.150 nan 0.000 0.458 380 I N 0.820 121.356 120.570 -0.057 0.000 2.412 380 I HA 0.129 4.298 4.170 -0.001 0.000 0.296 380 I C -0.516 175.569 176.117 -0.052 0.000 0.987 380 I CA -0.866 60.305 61.300 -0.215 0.000 1.180 380 I CB 1.065 38.704 38.000 -0.601 0.000 1.340 380 I HN 0.111 nan 8.210 nan 0.000 0.455 381 N N 8.149 126.819 118.700 -0.051 0.000 2.301 381 N HA -0.040 4.700 4.740 -0.001 0.000 0.267 381 N C -1.559 173.956 175.510 0.008 0.000 1.304 381 N CA -0.380 52.662 53.050 -0.013 0.000 0.851 381 N CB 0.807 39.284 38.487 -0.017 0.000 1.070 381 N HN 0.411 nan 8.380 nan 0.000 0.483 382 P HA -0.104 nan 4.420 nan 0.000 0.223 382 P C 0.284 177.611 177.300 0.045 0.000 1.151 382 P CA 1.117 64.253 63.100 0.061 0.000 0.787 382 P CB 0.225 31.968 31.700 0.071 0.000 0.788 383 D N -0.740 119.669 120.400 0.014 0.000 2.340 383 D HA -0.047 4.593 4.640 -0.001 0.000 0.220 383 D C 1.204 177.508 176.300 0.006 0.000 1.039 383 D CA 0.358 54.359 54.000 0.001 0.000 0.866 383 D CB -0.519 40.252 40.800 -0.049 0.000 0.913 383 D HN 0.261 nan 8.370 nan 0.000 0.523 384 E N -0.193 120.015 120.200 0.013 0.000 2.514 384 E HA 0.297 4.647 4.350 -0.001 0.000 0.215 384 E C 1.802 178.435 176.600 0.054 0.000 0.946 384 E CA 0.226 56.644 56.400 0.029 0.000 1.038 384 E CB 0.458 30.174 29.700 0.027 0.000 1.069 384 E HN 0.248 nan 8.360 nan 0.000 0.503 385 A N 1.265 124.103 122.820 0.029 0.000 1.908 385 A HA -0.163 4.157 4.320 -0.001 0.000 0.218 385 A C 2.395 180.021 177.584 0.070 0.000 1.181 385 A CA 1.293 53.339 52.037 0.015 0.000 0.627 385 A CB -0.635 18.402 19.000 0.061 0.000 0.818 385 A HN 0.108 nan 8.150 nan 0.000 0.445 386 V N -0.307 119.641 119.914 0.057 0.000 2.307 386 V HA -0.219 3.901 4.120 -0.001 0.000 0.245 386 V C 3.059 179.179 176.094 0.043 0.000 1.045 386 V CA 1.927 64.249 62.300 0.036 0.000 1.024 386 V CB -1.276 30.550 31.823 0.006 0.000 0.651 386 V HN 0.619 nan 8.190 nan 0.000 0.449 387 A N -1.111 121.738 122.820 0.049 0.000 1.902 387 A HA -0.274 4.046 4.320 -0.001 0.000 0.217 387 A C 2.162 179.789 177.584 0.072 0.000 1.181 387 A CA 2.083 54.143 52.037 0.038 0.000 0.623 387 A CB -0.832 18.182 19.000 0.023 0.000 0.818 387 A HN 0.639 nan 8.150 nan 0.000 0.443 388 Y N 0.525 120.813 120.300 -0.020 0.000 2.097 388 Y HA -0.173 4.376 4.550 -0.000 0.000 0.282 388 Y C 2.540 178.445 175.900 0.008 0.000 1.152 388 Y CA 1.788 59.881 58.100 -0.011 0.000 1.136 388 Y CB -0.569 37.861 38.460 -0.050 0.000 0.975 388 Y HN 0.283 nan 8.280 nan 0.000 0.498 389 G N -0.574 108.389 108.800 0.272 0.000 2.422 389 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.218 389 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.218 389 G C 1.761 176.690 174.900 0.048 0.000 1.146 389 G CA 0.823 46.018 45.100 0.159 0.000 0.769 389 G HN 0.605 nan 8.290 nan 0.000 0.547 390 A N 1.178 124.010 122.820 0.020 0.000 1.908 390 A HA 0.208 4.528 4.320 -0.001 0.000 0.218 390 A C 2.789 180.355 177.584 -0.030 0.000 1.181 390 A CA 2.369 54.395 52.037 -0.019 0.000 0.627 390 A CB -0.721 18.266 19.000 -0.022 0.000 0.818 390 A HN 0.766 nan 8.150 nan 0.000 0.445 391 A N -0.748 122.056 122.820 -0.026 0.000 1.929 391 A HA 0.106 4.426 4.320 -0.001 0.000 0.216 391 A C 2.201 179.751 177.584 -0.056 0.000 1.176 391 A CA 1.465 53.480 52.037 -0.036 0.000 0.628 391 A CB -0.835 18.147 19.000 -0.029 0.000 0.816 391 A HN 0.360 nan 8.150 nan 0.000 0.444 392 V N 0.008 119.909 119.914 -0.022 0.000 2.287 392 V HA -0.327 3.793 4.120 -0.001 0.000 0.248 392 V C 2.771 178.794 176.094 -0.119 0.000 1.053 392 V CA 2.483 64.768 62.300 -0.024 0.000 1.027 392 V CB -0.800 31.088 31.823 0.108 0.000 0.646 392 V HN 0.690 nan 8.190 nan 0.000 0.447 393 Q N 0.229 119.988 119.800 -0.067 0.000 2.084 393 Q HA -0.127 4.212 4.340 -0.001 0.000 0.202 393 Q C 2.153 178.084 176.000 -0.114 0.000 0.978 393 Q CA 2.093 57.851 55.803 -0.075 0.000 0.844 393 Q CB -0.656 28.049 28.738 -0.055 0.000 0.898 393 Q HN 0.609 nan 8.270 nan 0.000 0.426 394 A N 0.241 122.989 122.820 -0.120 0.000 1.908 394 A HA -0.135 4.184 4.320 -0.001 0.000 0.218 394 A C 2.283 179.739 177.584 -0.212 0.000 1.181 394 A CA 2.061 54.018 52.037 -0.133 0.000 0.627 394 A CB -1.225 17.714 19.000 -0.101 0.000 0.818 394 A HN 0.518 nan 8.150 nan 0.000 0.445 395 A N -0.206 122.402 122.820 -0.353 0.000 1.902 395 A HA -0.062 4.258 4.320 -0.001 0.000 0.217 395 A C 2.136 179.480 177.584 -0.399 0.000 1.181 395 A CA 1.475 53.167 52.037 -0.574 0.000 0.623 395 A CB -0.594 17.647 19.000 -1.264 0.000 0.818 395 A HN 0.500 nan 8.150 nan 0.000 0.443 396 I N -0.226 120.168 120.570 -0.293 0.000 2.127 396 I HA -0.274 3.896 4.170 -0.001 0.000 0.241 396 I C 2.231 178.271 176.117 -0.128 0.000 1.075 396 I CA 1.304 62.501 61.300 -0.172 0.000 1.334 396 I CB -0.331 37.609 38.000 -0.100 0.000 1.040 396 I HN 0.278 nan 8.210 nan 0.000 0.405 397 L N 0.295 121.449 121.223 -0.115 0.000 2.362 397 L HA -0.178 4.161 4.340 -0.001 0.000 0.219 397 L C 1.953 178.769 176.870 -0.089 0.000 1.134 397 L CA 0.970 55.760 54.840 -0.083 0.000 0.807 397 L CB -0.622 41.395 42.059 -0.069 0.000 0.927 397 L HN 0.327 nan 8.230 nan 0.000 0.447 398 N N -0.438 118.187 118.700 -0.127 0.000 2.405 398 N HA 0.129 4.868 4.740 -0.001 0.000 0.175 398 N C 0.474 175.919 175.510 -0.109 0.000 1.051 398 N CA 0.877 53.856 53.050 -0.117 0.000 0.899 398 N CB 0.711 39.108 38.487 -0.149 0.000 1.000 398 N HN 0.290 nan 8.380 nan 0.000 0.451 399 G N 0.000 108.724 108.800 -0.127 0.000 5.446 399 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 399 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 399 G CA 0.000 45.041 45.100 -0.098 0.000 0.502 399 G HN 0.000 nan 8.290 nan 0.000 0.925