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 2q27_1_B DATA FIRST_RESID 5 DATA SEQUENCE LQMTDGMHII VEALKQNNID TIYGVVGIPV TDMARHAQAE GIRYIGFRHE DATA SEQUENCE QSAGYAAAAS GFLTQKPGIC LTVSAPGFLN GLTALANATV NGFPMIMISG DATA SEQUENCE SSDRAIVDLQ QGDYEELDQM NAAKPYAKAA FRVNQPQDLG IALARAIRVS DATA SEQUENCE VSGRPGGVYL DLPANVLAAT MEKDEALTTI VKVENPSPAL LPCPKSVTSA DATA SEQUENCE ISLLAKAERP LIILGKGAAY SQADEQLREF IESAQIPFLP MSMAKGILED DATA SEQUENCE THPLSAAAAR SFALANADVV MLVGARLNWL LAHGKKGWAA DTQFIQLDIE DATA SEQUENCE PQEIDSNRPI AVPVVGDIAS SMQGMLAELK QNTFTTPLVW RDILNIHKQQ DATA SEQUENCE NAQKMHEKLS TDTQPLNYFN ALSAVRDVLR ENQDIYLVNE GANTLDNARN DATA SEQUENCE IIDMYKPRRR LDCGTWGVMG IGMGYAIGAS VTSGSPVVAI EGDSAFGFSG DATA SEQUENCE MEIETICRYN LPVTIVIFNN GGIYRGDGVD LSGAGAPSPT DLLHHARYDK DATA SEQUENCE LMDAFRGVGY NVTTTDELRH ALTTGIQSRK PTIINVVIDP AAGTE 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 5 L HA 0.000 nan 4.340 nan 0.000 0.249 5 L C 0.000 176.856 176.870 -0.023 0.000 1.165 5 L CA 0.000 54.830 54.840 -0.017 0.000 0.813 5 L CB 0.000 42.049 42.059 -0.017 0.000 0.961 6 Q N 3.997 123.782 119.800 -0.025 0.000 2.286 6 Q HA 0.596 4.936 4.340 0.000 0.000 0.257 6 Q C -0.839 175.136 176.000 -0.041 0.000 0.941 6 Q CA -0.317 55.466 55.803 -0.035 0.000 0.912 6 Q CB 1.129 29.848 28.738 -0.032 0.000 1.192 6 Q HN 0.645 nan 8.270 nan 0.000 0.410 7 M N 1.637 121.204 119.600 -0.056 0.000 2.598 7 M HA 0.464 4.944 4.480 0.000 0.000 0.317 7 M C -0.266 175.975 176.300 -0.097 0.000 1.179 7 M CA -0.490 54.774 55.300 -0.061 0.000 0.936 7 M CB 1.879 34.447 32.600 -0.052 0.000 1.713 7 M HN 0.624 nan 8.290 nan 0.000 0.460 8 T N 0.248 114.748 114.554 -0.090 0.000 2.804 8 T HA 0.660 5.010 4.350 0.000 0.000 0.290 8 T C -1.854 172.802 174.700 -0.072 0.000 1.099 8 T CA -0.442 61.579 62.100 -0.131 0.000 1.011 8 T CB 1.801 70.616 68.868 -0.088 0.000 1.291 8 T HN 0.799 nan 8.240 nan 0.000 0.523 9 D N -0.947 119.433 120.400 -0.034 0.000 2.531 9 D HA 0.474 5.114 4.640 0.000 0.000 0.244 9 D C 1.393 177.731 176.300 0.064 0.000 1.090 9 D CA -0.197 53.817 54.000 0.023 0.000 0.989 9 D CB 0.515 41.334 40.800 0.033 0.000 1.433 9 D HN 0.659 nan 8.370 nan 0.000 0.492 10 G N 0.137 108.962 108.800 0.041 0.000 2.556 10 G HA2 -0.366 3.595 3.960 0.000 0.000 0.220 10 G HA3 -0.366 3.595 3.960 0.000 0.000 0.220 10 G C 1.248 176.175 174.900 0.045 0.000 1.156 10 G CA 1.470 46.592 45.100 0.037 0.000 0.766 10 G HN 0.502 nan 8.290 nan 0.000 0.583 11 M N 0.094 119.718 119.600 0.039 0.000 2.106 11 M HA -0.160 4.320 4.480 0.000 0.000 0.259 11 M C 2.322 178.607 176.300 -0.025 0.000 1.068 11 M CA 2.112 57.408 55.300 -0.007 0.000 1.100 11 M CB -0.722 31.845 32.600 -0.055 0.000 1.351 11 M HN 0.417 nan 8.290 nan 0.000 0.404 12 H N -0.243 118.800 119.070 -0.046 0.000 2.363 12 H HA 0.058 4.614 4.556 0.000 0.000 0.301 12 H C 2.014 177.379 175.328 0.061 0.000 1.074 12 H CA 1.996 58.032 56.048 -0.020 0.000 1.354 12 H CB -0.180 29.521 29.762 -0.102 0.000 1.397 12 H HN 0.393 nan 8.280 nan 0.000 0.516 13 I N -0.371 120.283 120.570 0.139 0.000 2.163 13 I HA -0.242 3.929 4.170 0.000 0.000 0.243 13 I C 2.160 178.317 176.117 0.066 0.000 1.085 13 I CA 1.110 62.462 61.300 0.086 0.000 1.347 13 I CB -0.162 37.869 38.000 0.052 0.000 1.044 13 I HN 0.217 nan 8.210 nan 0.000 0.408 14 I N 0.284 120.887 120.570 0.055 0.000 2.252 14 I HA -0.198 3.972 4.170 0.000 0.000 0.245 14 I C 2.329 178.474 176.117 0.046 0.000 1.102 14 I CA 1.446 62.770 61.300 0.040 0.000 1.385 14 I CB -0.154 37.865 38.000 0.030 0.000 1.064 14 I HN -0.083 nan 8.210 nan 0.000 0.414 15 V N 0.597 120.550 119.914 0.065 0.000 2.332 15 V HA -0.293 3.828 4.120 0.000 0.000 0.248 15 V C 2.534 178.651 176.094 0.039 0.000 1.055 15 V CA 2.146 64.478 62.300 0.054 0.000 1.038 15 V CB -0.820 31.061 31.823 0.096 0.000 0.651 15 V HN 0.500 nan 8.190 nan 0.000 0.450 16 E N 0.792 121.035 120.200 0.072 0.000 2.077 16 E HA -0.168 4.182 4.350 0.000 0.000 0.193 16 E C 2.119 178.739 176.600 0.033 0.000 0.989 16 E CA 1.661 58.094 56.400 0.056 0.000 0.800 16 E CB -0.532 29.217 29.700 0.081 0.000 0.746 16 E HN 0.492 nan 8.360 nan 0.000 0.452 17 A N 0.662 123.502 122.820 0.033 0.000 1.892 17 A HA -0.189 4.132 4.320 0.000 0.000 0.218 17 A C 2.348 179.942 177.584 0.018 0.000 1.188 17 A CA 1.759 53.809 52.037 0.021 0.000 0.631 17 A CB -0.918 18.092 19.000 0.017 0.000 0.822 17 A HN 0.359 nan 8.150 nan 0.000 0.447 18 L N -0.946 120.289 121.223 0.020 0.000 2.017 18 L HA -0.219 4.121 4.340 0.000 0.000 0.208 18 L C 2.661 179.537 176.870 0.009 0.000 1.073 18 L CA 1.877 56.728 54.840 0.018 0.000 0.745 18 L CB -0.468 41.603 42.059 0.020 0.000 0.894 18 L HN 0.360 nan 8.230 nan 0.000 0.432 19 K N -0.150 120.251 120.400 0.003 0.000 2.009 19 K HA -0.228 4.092 4.320 0.000 0.000 0.210 19 K C 2.147 178.748 176.600 0.002 0.000 1.049 19 K CA 1.677 57.962 56.287 -0.004 0.000 0.929 19 K CB -0.142 32.352 32.500 -0.009 0.000 0.714 19 K HN 0.384 nan 8.250 nan 0.000 0.440 20 Q N 0.041 119.846 119.800 0.007 0.000 2.291 20 Q HA -0.121 4.220 4.340 0.000 0.000 0.206 20 Q C 0.719 176.723 176.000 0.006 0.000 0.976 20 Q CA 1.030 56.837 55.803 0.007 0.000 0.875 20 Q CB -0.108 28.635 28.738 0.009 0.000 0.927 20 Q HN 0.308 nan 8.270 nan 0.000 0.450 21 N N 0.605 119.311 118.700 0.009 0.000 2.313 21 N HA 0.062 4.803 4.740 0.000 0.000 0.207 21 N C -0.970 174.547 175.510 0.011 0.000 1.141 21 N CA -0.130 52.926 53.050 0.011 0.000 0.830 21 N CB 0.224 38.721 38.487 0.016 0.000 1.008 21 N HN 0.196 nan 8.380 nan 0.000 0.481 22 N N 0.230 118.934 118.700 0.006 0.000 2.727 22 N HA -0.160 4.580 4.740 0.000 0.000 0.249 22 N C -1.153 174.360 175.510 0.005 0.000 1.048 22 N CA 0.095 53.146 53.050 0.003 0.000 0.714 22 N CB -0.589 37.899 38.487 0.002 0.000 0.959 22 N HN 0.177 nan 8.380 nan 0.000 0.544 23 I N 1.445 122.019 120.570 0.006 0.000 2.436 23 I HA 0.043 4.213 4.170 0.000 0.000 0.289 23 I C 1.237 177.346 176.117 -0.013 0.000 1.083 23 I CA -0.136 61.167 61.300 0.005 0.000 1.372 23 I CB 0.652 38.660 38.000 0.014 0.000 1.408 23 I HN 0.235 nan 8.210 nan 0.000 0.516 24 D N 2.196 122.582 120.400 -0.024 0.000 2.441 24 D HA 0.068 4.708 4.640 0.000 0.000 0.210 24 D C 0.093 176.344 176.300 -0.081 0.000 1.102 24 D CA 0.035 54.010 54.000 -0.042 0.000 0.840 24 D CB 0.453 41.234 40.800 -0.032 0.000 0.990 24 D HN 0.349 nan 8.370 nan 0.000 0.505 25 T N 0.214 114.698 114.554 -0.117 0.000 2.912 25 T HA 0.593 4.943 4.350 0.000 0.000 0.299 25 T C -0.686 173.845 174.700 -0.281 0.000 1.052 25 T CA -0.562 61.383 62.100 -0.259 0.000 0.996 25 T CB 2.061 70.691 68.868 -0.397 0.000 1.070 25 T HN -0.017 nan 8.240 nan 0.000 0.465 26 I N 2.349 122.724 120.570 -0.326 0.000 2.498 26 I HA 0.437 4.608 4.170 0.000 0.000 0.290 26 I C -1.334 174.532 176.117 -0.419 0.000 1.032 26 I CA -0.964 60.212 61.300 -0.208 0.000 1.073 26 I CB 1.699 39.747 38.000 0.080 0.000 1.251 26 I HN 0.599 nan 8.210 nan 0.000 0.426 27 Y N 4.009 124.291 120.300 -0.030 0.000 2.331 27 Y HA 0.789 5.339 4.550 0.000 0.000 0.338 27 Y C 0.654 176.543 175.900 -0.017 0.000 0.992 27 Y CA -0.556 57.539 58.100 -0.007 0.000 1.121 27 Y CB 1.936 40.392 38.460 -0.007 0.000 1.184 27 Y HN 0.620 nan 8.280 nan 0.000 0.469 28 G N 0.659 109.561 108.800 0.170 0.000 2.550 28 G HA2 0.611 4.571 3.960 0.000 0.000 0.293 28 G HA3 0.611 4.571 3.960 0.000 0.000 0.293 28 G C -2.249 172.876 174.900 0.374 0.000 1.402 28 G CA -0.827 44.435 45.100 0.271 0.000 0.784 28 G HN 0.386 nan 8.290 nan 0.000 0.482 29 V N 0.649 120.753 119.914 0.315 0.000 2.623 29 V HA 0.620 4.740 4.120 0.000 0.000 0.304 29 V C 0.593 176.818 176.094 0.219 0.000 1.054 29 V CA -0.556 61.909 62.300 0.276 0.000 0.882 29 V CB 0.976 32.900 31.823 0.167 0.000 1.002 29 V HN 1.212 nan 8.190 nan 0.000 0.424 30 V N 2.174 122.204 119.914 0.192 0.000 3.561 30 V HA 1.142 5.262 4.120 0.000 0.000 0.290 30 V C 0.518 176.663 176.094 0.085 0.000 1.052 30 V CA 0.317 62.678 62.300 0.103 0.000 0.973 30 V CB 1.261 33.092 31.823 0.013 0.000 1.243 30 V HN 1.802 nan 8.190 nan 0.000 0.432 31 G N -0.866 107.973 108.800 0.065 0.000 2.369 31 G HA2 0.149 4.109 3.960 0.000 0.000 0.295 31 G HA3 0.149 4.109 3.960 0.000 0.000 0.295 31 G C -1.089 173.859 174.900 0.079 0.000 1.298 31 G CA -0.588 44.557 45.100 0.076 0.000 0.940 31 G HN 0.971 nan 8.290 nan 0.000 0.536 32 I N 2.167 122.799 120.570 0.103 0.000 2.618 32 I HA 0.228 4.398 4.170 0.000 0.000 0.284 32 I C -1.069 175.130 176.117 0.137 0.000 1.146 32 I CA -1.205 60.146 61.300 0.085 0.000 1.425 32 I CB 1.540 39.558 38.000 0.030 0.000 1.383 32 I HN 0.341 nan 8.210 nan 0.000 0.562 33 P HA 0.045 nan 4.420 nan 0.000 0.263 33 P C 0.764 178.083 177.300 0.032 0.000 1.448 33 P CA 0.156 63.279 63.100 0.038 0.000 0.983 33 P CB 0.151 31.870 31.700 0.031 0.000 1.481 34 V N -4.339 115.603 119.914 0.046 0.000 3.647 34 V HA 0.044 4.164 4.120 0.000 0.000 0.279 34 V C 1.780 177.871 176.094 -0.004 0.000 1.314 34 V CA 0.834 63.153 62.300 0.032 0.000 1.125 34 V CB -1.662 30.198 31.823 0.062 0.000 0.907 34 V HN -0.086 nan 8.190 nan 0.000 0.434 35 T N 1.258 115.806 114.554 -0.011 0.000 2.635 35 T HA -0.217 4.133 4.350 0.000 0.000 0.267 35 T C 1.538 176.201 174.700 -0.060 0.000 1.040 35 T CA 2.438 64.510 62.100 -0.046 0.000 1.156 35 T CB -0.476 68.375 68.868 -0.027 0.000 0.863 35 T HN 0.530 nan 8.240 nan 0.000 0.430 36 D N 0.609 120.987 120.400 -0.038 0.000 2.149 36 D HA -0.068 4.572 4.640 0.000 0.000 0.198 36 D C 1.954 178.229 176.300 -0.042 0.000 0.990 36 D CA 0.773 54.751 54.000 -0.038 0.000 0.839 36 D CB -0.429 40.352 40.800 -0.033 0.000 0.948 36 D HN 0.341 nan 8.370 nan 0.000 0.460 37 M N 0.402 119.979 119.600 -0.039 0.000 2.080 37 M HA -0.221 4.259 4.480 0.000 0.000 0.260 37 M C 2.014 178.294 176.300 -0.032 0.000 1.068 37 M CA 2.017 57.303 55.300 -0.023 0.000 1.109 37 M CB 0.033 32.631 32.600 -0.004 0.000 1.342 37 M HN 0.025 nan 8.290 nan 0.000 0.405 38 A N 0.640 123.401 122.820 -0.098 0.000 1.877 38 A HA -0.183 4.137 4.320 0.000 0.000 0.216 38 A C 2.091 179.560 177.584 -0.190 0.000 1.186 38 A CA 1.829 53.734 52.037 -0.219 0.000 0.620 38 A CB -0.749 17.921 19.000 -0.550 0.000 0.822 38 A HN 0.615 nan 8.150 nan 0.000 0.443 39 R N -1.614 118.801 120.500 -0.141 0.000 2.091 39 R HA -0.210 4.130 4.340 0.000 0.000 0.238 39 R C 2.271 178.562 176.300 -0.014 0.000 1.136 39 R CA 1.869 57.925 56.100 -0.072 0.000 0.959 39 R CB -0.571 29.705 30.300 -0.039 0.000 0.856 39 R HN 0.821 nan 8.270 nan 0.000 0.437 40 H N 0.475 119.479 119.070 -0.110 0.000 2.395 40 H HA 0.093 4.649 4.556 0.000 0.000 0.299 40 H C 1.864 177.139 175.328 -0.088 0.000 1.070 40 H CA 1.424 57.402 56.048 -0.118 0.000 1.356 40 H CB -0.062 29.562 29.762 -0.231 0.000 1.401 40 H HN 0.218 nan 8.280 nan 0.000 0.524 41 A N 0.524 123.266 122.820 -0.130 0.000 1.883 41 A HA -0.253 4.067 4.320 0.000 0.000 0.217 41 A C 2.357 179.865 177.584 -0.127 0.000 1.186 41 A CA 1.851 53.796 52.037 -0.152 0.000 0.624 41 A CB -0.893 18.083 19.000 -0.039 0.000 0.822 41 A HN 0.661 nan 8.150 nan 0.000 0.444 42 Q N -0.663 119.097 119.800 -0.066 0.000 2.135 42 Q HA -0.172 4.168 4.340 0.000 0.000 0.204 42 Q C 2.172 178.138 176.000 -0.056 0.000 0.981 42 Q CA 1.592 57.380 55.803 -0.026 0.000 0.856 42 Q CB -0.345 28.397 28.738 0.007 0.000 0.902 42 Q HN 0.637 nan 8.270 nan 0.000 0.425 43 A N 0.720 123.486 122.820 -0.090 0.000 1.933 43 A HA -0.153 4.167 4.320 0.000 0.000 0.218 43 A C 1.591 179.105 177.584 -0.117 0.000 1.175 43 A CA 1.393 53.383 52.037 -0.079 0.000 0.628 43 A CB -0.242 18.727 19.000 -0.052 0.000 0.814 43 A HN 0.341 nan 8.150 nan 0.000 0.444 44 E N -1.195 118.878 120.200 -0.212 0.000 2.445 44 E HA 0.233 4.583 4.350 0.000 0.000 0.189 44 E C 1.091 177.629 176.600 -0.103 0.000 1.069 44 E CA 0.603 56.888 56.400 -0.192 0.000 0.871 44 E CB -0.122 29.387 29.700 -0.319 0.000 0.991 44 E HN 0.782 nan 8.360 nan 0.000 0.481 45 G N 1.325 110.081 108.800 -0.073 0.000 2.176 45 G HA2 -0.267 3.694 3.960 0.000 0.000 0.232 45 G HA3 -0.267 3.694 3.960 0.000 0.000 0.232 45 G C 0.362 175.238 174.900 -0.039 0.000 0.986 45 G CA -0.123 44.951 45.100 -0.043 0.000 0.643 45 G HN 0.277 nan 8.290 nan 0.000 0.522 46 I N 1.081 121.623 120.570 -0.047 0.000 2.441 46 I HA 0.291 4.461 4.170 0.000 0.000 0.287 46 I C 1.133 177.237 176.117 -0.022 0.000 1.049 46 I CA -0.715 60.563 61.300 -0.038 0.000 1.381 46 I CB 1.060 39.039 38.000 -0.034 0.000 1.409 46 I HN 0.142 nan 8.210 nan 0.000 0.523 47 R N 6.051 126.520 120.500 -0.051 0.000 2.296 47 R HA 0.109 4.449 4.340 0.000 0.000 0.323 47 R C -1.266 174.985 176.300 -0.082 0.000 1.067 47 R CA -0.198 55.862 56.100 -0.067 0.000 0.946 47 R CB 0.328 30.556 30.300 -0.120 0.000 0.991 47 R HN 0.516 nan 8.270 nan 0.000 0.448 48 Y N 6.467 126.700 120.300 -0.112 0.000 2.330 48 Y HA 0.381 4.931 4.550 0.000 0.000 0.336 48 Y C -0.838 174.972 175.900 -0.151 0.000 1.036 48 Y CA -0.954 57.083 58.100 -0.104 0.000 1.125 48 Y CB 0.918 39.366 38.460 -0.019 0.000 1.194 48 Y HN 0.406 nan 8.280 nan 0.000 0.469 49 I N 6.257 126.251 120.570 -0.959 0.000 2.389 49 I HA 0.395 4.566 4.170 0.000 0.000 0.288 49 I C 0.276 175.923 176.117 -0.784 0.000 0.999 49 I CA -0.546 60.216 61.300 -0.897 0.000 1.129 49 I CB 1.105 38.690 38.000 -0.692 0.000 1.288 49 I HN 0.861 nan 8.210 nan 0.000 0.444 50 G N 5.660 114.283 108.800 -0.296 0.000 2.372 50 G HA2 0.643 4.603 3.960 0.000 0.000 0.323 50 G HA3 0.643 4.603 3.960 0.000 0.000 0.323 50 G C -1.029 173.894 174.900 0.040 0.000 1.152 50 G CA -0.165 44.982 45.100 0.079 0.000 0.906 50 G HN 0.256 nan 8.290 nan 0.000 0.460 51 F N 0.624 120.632 119.950 0.097 0.000 2.461 51 F HA 0.544 5.072 4.527 0.000 0.000 0.337 51 F C 1.571 177.423 175.800 0.086 0.000 1.079 51 F CA -1.140 56.913 58.000 0.089 0.000 1.032 51 F CB 1.428 40.467 39.000 0.065 0.000 1.327 51 F HN 0.197 nan 8.300 nan 0.000 0.491 52 R N -0.450 120.213 120.500 0.271 0.000 2.254 52 R HA 0.097 4.437 4.340 0.000 0.000 0.195 52 R C -0.307 176.122 176.300 0.214 0.000 0.957 52 R CA 0.514 56.718 56.100 0.175 0.000 1.024 52 R CB -0.517 29.848 30.300 0.108 0.000 0.952 52 R HN 0.484 nan 8.270 nan 0.000 0.484 53 H N -0.400 118.742 119.070 0.121 0.000 3.086 53 H HA 0.162 4.718 4.556 0.000 0.000 0.353 53 H C -0.243 175.070 175.328 -0.026 0.000 1.134 53 H CA -0.233 55.837 56.048 0.036 0.000 1.248 53 H CB 1.675 31.439 29.762 0.005 0.000 1.878 53 H HN -0.213 nan 8.280 nan 0.000 0.527 54 E N 2.206 122.405 120.200 -0.001 0.000 2.268 54 E HA -0.138 4.212 4.350 0.000 0.000 0.195 54 E C 1.799 178.314 176.600 -0.141 0.000 0.995 54 E CA 0.973 57.335 56.400 -0.064 0.000 0.836 54 E CB 0.299 29.933 29.700 -0.110 0.000 0.763 54 E HN 0.579 nan 8.360 nan 0.000 0.491 55 Q N 0.006 119.826 119.800 0.033 0.000 2.061 55 Q HA -0.163 4.177 4.340 0.000 0.000 0.204 55 Q C 1.974 177.538 176.000 -0.727 0.000 0.984 55 Q CA 1.774 57.333 55.803 -0.407 0.000 0.846 55 Q CB -0.013 28.517 28.738 -0.346 0.000 0.902 55 Q HN 0.181 nan 8.270 nan 0.000 0.421 56 S N 0.026 115.510 115.700 -0.360 0.000 2.399 56 S HA -0.141 4.329 4.470 0.000 0.000 0.231 56 S C 1.846 176.009 174.600 -0.727 0.000 1.022 56 S CA 0.865 58.898 58.200 -0.278 0.000 0.983 56 S CB -0.234 62.993 63.200 0.045 0.000 0.803 56 S HN 0.538 nan 8.310 nan 0.000 0.480 57 A N 1.299 123.505 122.820 -1.023 0.000 1.930 57 A HA 0.123 4.443 4.320 0.000 0.000 0.217 57 A C 2.274 179.476 177.584 -0.637 0.000 1.175 57 A CA 1.582 52.798 52.037 -1.369 0.000 0.627 57 A CB -1.162 17.365 19.000 -0.789 0.000 0.815 57 A HN 0.515 nan 8.150 nan 0.000 0.443 58 G N -1.697 106.823 108.800 -0.466 0.000 2.403 58 G HA2 -0.090 3.870 3.960 0.000 0.000 0.216 58 G HA3 -0.090 3.870 3.960 0.000 0.000 0.216 58 G C 1.403 176.218 174.900 -0.142 0.000 1.154 58 G CA 0.952 45.884 45.100 -0.280 0.000 0.784 58 G HN 0.456 nan 8.290 nan 0.000 0.538 59 Y N 1.538 121.749 120.300 -0.148 0.000 2.165 59 Y HA -0.048 4.502 4.550 0.000 0.000 0.286 59 Y C 3.135 179.049 175.900 0.022 0.000 1.155 59 Y CA 0.252 58.330 58.100 -0.037 0.000 1.164 59 Y CB -1.125 37.194 38.460 -0.234 0.000 0.978 59 Y HN 0.261 nan 8.280 nan 0.000 0.513 60 A N 0.099 122.855 122.820 -0.107 0.000 1.908 60 A HA -0.135 4.185 4.320 0.000 0.000 0.218 60 A C 2.543 179.804 177.584 -0.538 0.000 1.181 60 A CA 2.093 53.899 52.037 -0.385 0.000 0.627 60 A CB -1.207 17.350 19.000 -0.738 0.000 0.818 60 A HN 0.401 nan 8.150 nan 0.000 0.445 61 A N -0.242 122.338 122.820 -0.399 0.000 1.902 61 A HA 0.159 4.480 4.320 0.000 0.000 0.217 61 A C 2.507 180.102 177.584 0.018 0.000 1.181 61 A CA 2.152 54.119 52.037 -0.117 0.000 0.623 61 A CB -0.983 18.047 19.000 0.049 0.000 0.818 61 A HN 1.046 nan 8.150 nan 0.000 0.443 62 A N -0.199 122.683 122.820 0.104 0.000 1.898 62 A HA 0.224 4.544 4.320 0.000 0.000 0.216 62 A C 2.523 180.124 177.584 0.029 0.000 1.181 62 A CA 1.940 54.107 52.037 0.216 0.000 0.620 62 A CB -1.102 18.162 19.000 0.440 0.000 0.819 62 A HN 1.073 nan 8.150 nan 0.000 0.442 63 A N -0.281 122.491 122.820 -0.080 0.000 1.884 63 A HA -0.226 4.095 4.320 0.000 0.000 0.219 63 A C 2.546 180.034 177.584 -0.161 0.000 1.197 63 A CA 2.644 54.477 52.037 -0.338 0.000 0.637 63 A CB -1.178 17.664 19.000 -0.263 0.000 0.827 63 A HN 0.727 nan 8.150 nan 0.000 0.450 64 S N -0.731 114.918 115.700 -0.086 0.000 2.368 64 S HA -0.020 4.450 4.470 0.000 0.000 0.225 64 S C 2.068 176.681 174.600 0.022 0.000 1.030 64 S CA 1.793 59.986 58.200 -0.012 0.000 0.999 64 S CB -0.823 62.426 63.200 0.082 0.000 0.844 64 S HN 0.748 nan 8.310 nan 0.000 0.459 65 G N 0.271 109.111 108.800 0.066 0.000 2.418 65 G HA2 -0.172 3.789 3.960 0.000 0.000 0.217 65 G HA3 -0.172 3.789 3.960 0.000 0.000 0.217 65 G C 1.260 176.268 174.900 0.179 0.000 1.158 65 G CA 0.879 46.058 45.100 0.132 0.000 0.771 65 G HN 0.583 nan 8.290 nan 0.000 0.545 66 F N 1.414 121.288 119.950 -0.127 0.000 2.126 66 F HA -0.024 4.503 4.527 0.000 0.000 0.299 66 F C 2.357 178.099 175.800 -0.097 0.000 1.096 66 F CA 1.268 59.154 58.000 -0.190 0.000 1.255 66 F CB -0.181 38.237 39.000 -0.970 0.000 0.997 66 F HN 0.064 nan 8.300 nan 0.000 0.479 67 L N -0.496 120.559 121.223 -0.280 0.000 2.156 67 L HA -0.113 4.227 4.340 0.000 0.000 0.208 67 L C 2.203 178.912 176.870 -0.269 0.000 1.095 67 L CA 1.680 56.332 54.840 -0.313 0.000 0.770 67 L CB -1.021 40.970 42.059 -0.113 0.000 0.914 67 L HN 0.329 nan 8.230 nan 0.000 0.439 68 T N -5.509 108.940 114.554 -0.175 0.000 2.990 68 T HA 0.095 4.445 4.350 0.000 0.000 0.250 68 T C 0.982 175.584 174.700 -0.163 0.000 1.041 68 T CA -0.136 61.882 62.100 -0.136 0.000 1.010 68 T CB 0.417 69.255 68.868 -0.051 0.000 1.003 68 T HN 0.286 nan 8.240 nan 0.000 0.499 69 Q N -0.091 119.606 119.800 -0.172 0.000 2.348 69 Q HA -0.194 4.146 4.340 0.000 0.000 0.221 69 Q C -0.024 176.018 176.000 0.070 0.000 0.735 69 Q CA 1.116 56.882 55.803 -0.063 0.000 1.351 69 Q CB -1.285 27.301 28.738 -0.254 0.000 1.640 69 Q HN 0.626 nan 8.270 nan 0.000 0.667 70 K N 1.533 121.966 120.400 0.056 0.000 2.244 70 K HA 0.366 4.686 4.320 0.000 0.000 0.260 70 K C -2.576 174.086 176.600 0.104 0.000 0.951 70 K CA -2.293 54.035 56.287 0.069 0.000 0.826 70 K CB 1.414 33.936 32.500 0.037 0.000 1.108 70 K HN -0.238 nan 8.250 nan 0.000 0.433 71 P HA 0.030 nan 4.420 nan 0.000 0.267 71 P C -0.131 177.247 177.300 0.129 0.000 1.209 71 P CA -0.097 63.080 63.100 0.128 0.000 0.763 71 P CB 0.701 32.472 31.700 0.118 0.000 0.816 72 G N 3.878 112.767 108.800 0.148 0.000 2.527 72 G HA2 0.383 4.343 3.960 0.000 0.000 0.248 72 G HA3 0.383 4.343 3.960 0.000 0.000 0.248 72 G C -0.406 174.606 174.900 0.187 0.000 1.231 72 G CA -0.414 44.801 45.100 0.193 0.000 0.838 72 G HN 0.402 nan 8.290 nan 0.000 0.570 73 I N 0.751 121.454 120.570 0.221 0.000 2.355 73 I HA 0.242 4.412 4.170 0.000 0.000 0.288 73 I C -0.136 176.106 176.117 0.208 0.000 0.999 73 I CA -0.952 60.450 61.300 0.171 0.000 1.163 73 I CB 0.868 38.937 38.000 0.114 0.000 1.316 73 I HN 0.376 nan 8.210 nan 0.000 0.454 74 C N 8.322 127.718 119.300 0.161 0.000 2.298 74 C HA 0.673 5.133 4.460 0.000 0.000 0.323 74 C C -0.380 174.694 174.990 0.140 0.000 1.284 74 C CA -0.505 58.591 59.018 0.130 0.000 1.577 74 C CB 0.470 28.242 27.740 0.053 0.000 2.249 74 C HN 0.668 nan 8.230 nan 0.000 0.497 75 L N 7.265 128.585 121.223 0.162 0.000 2.313 75 L HA 0.807 5.147 4.340 0.000 0.000 0.283 75 L C 0.389 177.364 176.870 0.175 0.000 1.013 75 L CA 0.672 55.620 54.840 0.181 0.000 0.816 75 L CB 1.764 43.957 42.059 0.225 0.000 1.236 75 L HN 0.953 nan 8.230 nan 0.000 0.419 76 T N 1.859 116.514 114.554 0.168 0.000 2.865 76 T HA 0.722 5.072 4.350 0.000 0.000 0.294 76 T C 0.197 174.994 174.700 0.162 0.000 1.119 76 T CA -0.153 62.038 62.100 0.152 0.000 1.007 76 T CB 1.024 69.971 68.868 0.131 0.000 1.225 76 T HN 0.640 nan 8.240 nan 0.000 0.515 77 V N 0.227 120.226 119.914 0.142 0.000 3.781 77 V HA 0.692 4.812 4.120 0.000 0.000 0.271 77 V C 0.899 177.092 176.094 0.165 0.000 0.951 77 V CA -0.038 62.348 62.300 0.142 0.000 0.896 77 V CB -0.189 31.707 31.823 0.123 0.000 1.224 77 V HN 1.260 nan 8.190 nan 0.000 0.403 78 S N -0.169 115.613 115.700 0.136 0.000 2.598 78 S HA 0.596 5.066 4.470 0.000 0.000 0.267 78 S C 1.633 176.281 174.600 0.081 0.000 1.189 78 S CA -0.034 58.225 58.200 0.098 0.000 1.010 78 S CB 0.099 63.350 63.200 0.086 0.000 1.084 78 S HN 1.729 nan 8.310 nan 0.000 0.541 79 A N 2.381 125.214 122.820 0.020 0.000 1.883 79 A HA -0.210 4.110 4.320 0.000 0.000 0.232 79 A C 0.103 177.746 177.584 0.098 0.000 1.671 79 A CA 2.615 54.687 52.037 0.058 0.000 0.748 79 A CB -2.685 16.301 19.000 -0.024 0.000 0.850 79 A HN 0.778 nan 8.150 nan 0.000 0.488 80 P HA -0.058 nan 4.420 nan 0.000 0.217 80 P C 1.708 178.994 177.300 -0.024 0.000 1.150 80 P CA 1.846 64.935 63.100 -0.017 0.000 0.832 80 P CB -0.612 31.054 31.700 -0.057 0.000 0.787 81 G N -0.385 108.416 108.800 0.002 0.000 2.394 81 G HA2 -0.260 3.700 3.960 0.000 0.000 0.215 81 G HA3 -0.260 3.700 3.960 0.000 0.000 0.215 81 G C 1.417 176.331 174.900 0.023 0.000 1.165 81 G CA 0.371 45.466 45.100 -0.009 0.000 0.784 81 G HN 0.216 nan 8.290 nan 0.000 0.535 82 F N 1.349 121.275 119.950 -0.040 0.000 2.091 82 F HA -0.060 4.467 4.527 0.000 0.000 0.299 82 F C 2.314 178.055 175.800 -0.098 0.000 1.103 82 F CA 1.366 59.337 58.000 -0.048 0.000 1.228 82 F CB -0.238 38.737 39.000 -0.042 0.000 0.984 82 F HN 0.052 nan 8.300 nan 0.000 0.477 83 L N 0.261 121.379 121.223 -0.174 0.000 2.083 83 L HA -0.243 4.097 4.340 0.000 0.000 0.209 83 L C 2.258 178.943 176.870 -0.308 0.000 1.083 83 L CA 1.216 55.870 54.840 -0.311 0.000 0.752 83 L CB -0.817 41.198 42.059 -0.074 0.000 0.899 83 L HN 0.219 nan 8.230 nan 0.000 0.433 84 N N 0.336 118.912 118.700 -0.206 0.000 2.106 84 N HA -0.121 4.619 4.740 0.000 0.000 0.188 84 N C 1.848 177.240 175.510 -0.198 0.000 1.029 84 N CA 1.517 54.484 53.050 -0.138 0.000 0.848 84 N CB -0.607 37.761 38.487 -0.197 0.000 1.007 84 N HN 0.314 nan 8.380 nan 0.000 0.423 85 G N 1.293 109.944 108.800 -0.250 0.000 2.442 85 G HA2 -0.205 3.755 3.960 0.000 0.000 0.219 85 G HA3 -0.205 3.755 3.960 0.000 0.000 0.219 85 G C 1.559 176.247 174.900 -0.352 0.000 1.141 85 G CA 0.492 45.431 45.100 -0.268 0.000 0.763 85 G HN 0.247 nan 8.290 nan 0.000 0.554 86 L N 1.877 122.774 121.223 -0.545 0.000 2.079 86 L HA -0.078 4.262 4.340 0.000 0.000 0.210 86 L C 3.162 179.798 176.870 -0.391 0.000 1.081 86 L CA 2.754 57.245 54.840 -0.582 0.000 0.752 86 L CB -1.078 40.464 42.059 -0.862 0.000 0.896 86 L HN 0.394 nan 8.230 nan 0.000 0.433 87 T N -3.312 111.043 114.554 -0.332 0.000 2.833 87 T HA -0.130 4.220 4.350 0.000 0.000 0.269 87 T C 1.823 176.463 174.700 -0.101 0.000 1.054 87 T CA 1.115 63.089 62.100 -0.211 0.000 1.135 87 T CB -0.760 68.013 68.868 -0.159 0.000 0.869 87 T HN 0.363 nan 8.240 nan 0.000 0.466 88 A N 0.951 123.631 122.820 -0.232 0.000 1.975 88 A HA 0.344 4.664 4.320 0.000 0.000 0.215 88 A C 2.242 179.815 177.584 -0.019 0.000 1.170 88 A CA 0.861 52.781 52.037 -0.194 0.000 0.656 88 A CB -0.750 17.877 19.000 -0.621 0.000 0.821 88 A HN 0.438 nan 8.150 nan 0.000 0.449 89 L N 0.003 121.178 121.223 -0.080 0.000 2.042 89 L HA -0.132 4.208 4.340 0.000 0.000 0.210 89 L C 2.678 179.555 176.870 0.011 0.000 1.076 89 L CA 2.086 56.917 54.840 -0.014 0.000 0.749 89 L CB -0.558 41.483 42.059 -0.030 0.000 0.893 89 L HN 0.354 nan 8.230 nan 0.000 0.432 90 A N -0.664 122.158 122.820 0.004 0.000 1.902 90 A HA -0.273 4.048 4.320 0.000 0.000 0.217 90 A C 2.189 179.716 177.584 -0.096 0.000 1.181 90 A CA 1.954 54.025 52.037 0.056 0.000 0.623 90 A CB -0.933 18.157 19.000 0.151 0.000 0.818 90 A HN 0.596 nan 8.150 nan 0.000 0.443 91 N N 0.015 118.734 118.700 0.032 0.000 2.142 91 N HA -0.042 4.699 4.740 0.000 0.000 0.186 91 N C 1.756 177.175 175.510 -0.151 0.000 1.023 91 N CA 1.699 54.732 53.050 -0.029 0.000 0.852 91 N CB -0.357 38.270 38.487 0.234 0.000 0.998 91 N HN 0.354 nan 8.380 nan 0.000 0.424 92 A N -0.484 122.323 122.820 -0.021 0.000 1.892 92 A HA -0.187 4.133 4.320 0.000 0.000 0.218 92 A C 2.293 179.767 177.584 -0.182 0.000 1.188 92 A CA 2.358 54.371 52.037 -0.040 0.000 0.631 92 A CB -1.407 17.663 19.000 0.116 0.000 0.822 92 A HN 0.427 nan 8.150 nan 0.000 0.447 93 T N -0.383 114.081 114.554 -0.150 0.000 2.684 93 T HA -0.139 4.211 4.350 0.000 0.000 0.267 93 T C 1.874 176.395 174.700 -0.300 0.000 1.036 93 T CA 1.608 63.601 62.100 -0.177 0.000 1.148 93 T CB -0.544 68.253 68.868 -0.118 0.000 0.863 93 T HN 0.156 nan 8.240 nan 0.000 0.436 94 V N 2.085 121.731 119.914 -0.446 0.000 2.287 94 V HA -0.212 3.908 4.120 0.000 0.000 0.248 94 V C 2.159 177.958 176.094 -0.492 0.000 1.053 94 V CA 1.939 63.893 62.300 -0.577 0.000 1.027 94 V CB -0.712 30.468 31.823 -1.071 0.000 0.646 94 V HN 0.482 nan 8.190 nan 0.000 0.447 95 N N -0.267 118.071 118.700 -0.603 0.000 2.409 95 N HA 0.138 4.878 4.740 0.000 0.000 0.179 95 N C 1.178 176.257 175.510 -0.718 0.000 1.032 95 N CA 0.979 53.532 53.050 -0.829 0.000 0.898 95 N CB 0.172 37.743 38.487 -1.528 0.000 0.971 95 N HN 0.571 nan 8.380 nan 0.000 0.441 96 G N -0.434 108.076 108.800 -0.483 0.000 2.203 96 G HA2 -0.211 3.749 3.960 0.000 0.000 0.231 96 G HA3 -0.211 3.749 3.960 0.000 0.000 0.231 96 G C -0.713 174.154 174.900 -0.056 0.000 1.058 96 G CA -0.531 44.419 45.100 -0.250 0.000 0.781 96 G HN 0.120 nan 8.290 nan 0.000 0.496 97 F N 1.070 120.949 119.950 -0.118 0.000 2.427 97 F HA 0.526 5.053 4.527 0.000 0.000 0.346 97 F C -1.573 174.217 175.800 -0.017 0.000 1.120 97 F CA -3.872 54.105 58.000 -0.039 0.000 1.033 97 F CB 1.644 40.665 39.000 0.035 0.000 1.126 97 F HN -0.080 nan 8.300 nan 0.000 0.462 98 P HA 0.386 nan 4.420 nan 0.000 0.281 98 P C -0.854 176.548 177.300 0.170 0.000 1.252 98 P CA -0.197 62.996 63.100 0.155 0.000 0.778 98 P CB 1.369 33.169 31.700 0.167 0.000 0.895 99 M N 1.728 121.414 119.600 0.143 0.000 2.643 99 M HA 0.587 5.067 4.480 0.000 0.000 0.276 99 M C -1.922 174.456 176.300 0.130 0.000 1.200 99 M CA -0.902 54.481 55.300 0.139 0.000 0.863 99 M CB 1.786 34.471 32.600 0.141 0.000 1.711 99 M HN -0.024 nan 8.290 nan 0.000 0.492 100 I N 2.279 122.928 120.570 0.132 0.000 2.418 100 I HA 0.482 4.652 4.170 0.000 0.000 0.287 100 I C -0.963 175.241 176.117 0.145 0.000 1.008 100 I CA -0.587 60.795 61.300 0.137 0.000 1.104 100 I CB 2.153 40.227 38.000 0.123 0.000 1.264 100 I HN 0.821 nan 8.210 nan 0.000 0.438 101 M N 7.611 127.319 119.600 0.181 0.000 2.113 101 M HA 0.536 5.016 4.480 0.000 0.000 0.352 101 M C -1.301 175.140 176.300 0.235 0.000 1.170 101 M CA -0.295 55.132 55.300 0.212 0.000 1.053 101 M CB 0.703 33.442 32.600 0.232 0.000 1.601 101 M HN 0.482 nan 8.290 nan 0.000 0.459 102 I N 4.142 124.817 120.570 0.175 0.000 2.312 102 I HA 0.326 4.496 4.170 0.000 0.000 0.290 102 I C -0.502 175.728 176.117 0.188 0.000 1.008 102 I CA -0.271 61.099 61.300 0.117 0.000 1.226 102 I CB 1.637 39.688 38.000 0.086 0.000 1.371 102 I HN 0.629 nan 8.210 nan 0.000 0.468 103 S N 3.578 119.414 115.700 0.226 0.000 2.526 103 S HA 0.578 5.048 4.470 0.000 0.000 0.293 103 S C 0.202 174.909 174.600 0.178 0.000 1.092 103 S CA -0.780 57.597 58.200 0.294 0.000 0.980 103 S CB 1.946 65.476 63.200 0.550 0.000 1.048 103 S HN 0.792 nan 8.310 nan 0.000 0.483 104 G N 1.787 110.676 108.800 0.148 0.000 2.432 104 G HA2 0.431 4.391 3.960 0.000 0.000 0.239 104 G HA3 0.431 4.391 3.960 0.000 0.000 0.239 104 G C 0.031 174.994 174.900 0.105 0.000 1.291 104 G CA -0.146 45.019 45.100 0.108 0.000 0.863 104 G HN 0.802 nan 8.290 nan 0.000 0.560 105 S N 0.511 116.254 115.700 0.072 0.000 2.667 105 S HA 0.773 5.243 4.470 0.000 0.000 0.292 105 S C 0.323 174.961 174.600 0.062 0.000 1.126 105 S CA -0.615 57.615 58.200 0.049 0.000 0.881 105 S CB 1.778 64.985 63.200 0.013 0.000 1.132 105 S HN 0.612 nan 8.310 nan 0.000 0.492 106 S N 0.673 116.412 115.700 0.064 0.000 2.484 106 S HA 0.273 4.743 4.470 0.000 0.000 0.256 106 S C -0.152 174.476 174.600 0.047 0.000 1.223 106 S CA -0.392 57.858 58.200 0.083 0.000 1.002 106 S CB -0.253 63.014 63.200 0.113 0.000 1.043 106 S HN 0.872 nan 8.310 nan 0.000 0.517 107 D N 0.478 120.905 120.400 0.045 0.000 2.343 107 D HA 0.118 4.758 4.640 0.000 0.000 0.255 107 D C 0.965 177.278 176.300 0.021 0.000 1.187 107 D CA -0.181 53.836 54.000 0.028 0.000 0.875 107 D CB 0.571 41.386 40.800 0.026 0.000 1.136 107 D HN 0.221 nan 8.370 nan 0.000 0.469 108 R N 3.151 123.660 120.500 0.016 0.000 2.096 108 R HA -0.104 4.236 4.340 0.000 0.000 0.235 108 R C 1.683 177.990 176.300 0.012 0.000 1.127 108 R CA 1.241 57.349 56.100 0.013 0.000 0.968 108 R CB -0.566 29.741 30.300 0.012 0.000 0.861 108 R HN 0.557 nan 8.270 nan 0.000 0.440 109 A N 0.959 123.786 122.820 0.012 0.000 1.929 109 A HA -0.055 4.265 4.320 0.000 0.000 0.216 109 A C 2.244 179.834 177.584 0.011 0.000 1.176 109 A CA 0.886 52.929 52.037 0.010 0.000 0.628 109 A CB -0.319 18.686 19.000 0.009 0.000 0.816 109 A HN 0.154 nan 8.150 nan 0.000 0.444 110 I N -0.446 120.133 120.570 0.015 0.000 2.233 110 I HA -0.171 3.999 4.170 0.000 0.000 0.243 110 I C 2.322 178.448 176.117 0.015 0.000 1.093 110 I CA 0.970 62.281 61.300 0.017 0.000 1.380 110 I CB -0.432 37.583 38.000 0.025 0.000 1.067 110 I HN 0.129 nan 8.210 nan 0.000 0.413 111 V N 0.884 120.807 119.914 0.015 0.000 2.287 111 V HA -0.319 3.802 4.120 0.000 0.000 0.248 111 V C 2.025 178.121 176.094 0.004 0.000 1.053 111 V CA 2.084 64.389 62.300 0.007 0.000 1.027 111 V CB -0.749 31.075 31.823 0.002 0.000 0.646 111 V HN 0.381 nan 8.190 nan 0.000 0.447 112 D N -0.207 120.197 120.400 0.006 0.000 2.271 112 D HA -0.120 4.520 4.640 0.000 0.000 0.207 112 D C 1.685 177.989 176.300 0.006 0.000 0.983 112 D CA 1.209 55.212 54.000 0.006 0.000 0.878 112 D CB -0.085 40.719 40.800 0.007 0.000 0.920 112 D HN 0.386 nan 8.370 nan 0.000 0.479 113 L N -0.531 120.696 121.223 0.007 0.000 2.693 113 L HA 0.148 4.488 4.340 0.000 0.000 0.235 113 L C -0.004 176.870 176.870 0.006 0.000 1.127 113 L CA 0.002 54.846 54.840 0.006 0.000 0.914 113 L CB 0.116 42.179 42.059 0.007 0.000 1.193 113 L HN -0.114 nan 8.230 nan 0.000 0.502 114 Q N 0.332 120.135 119.800 0.006 0.000 2.451 114 Q HA -0.291 4.049 4.340 0.000 0.000 0.305 114 Q C 0.653 176.657 176.000 0.007 0.000 1.345 114 Q CA 0.416 56.222 55.803 0.005 0.000 0.854 114 Q CB -1.461 27.279 28.738 0.003 0.000 1.162 114 Q HN 0.569 nan 8.270 nan 0.000 0.440 115 Q N -0.470 119.336 119.800 0.010 0.000 2.360 115 Q HA 0.180 4.521 4.340 0.000 0.000 0.202 115 Q C 1.005 177.014 176.000 0.014 0.000 0.915 115 Q CA 0.463 56.273 55.803 0.011 0.000 0.943 115 Q CB 0.772 29.518 28.738 0.013 0.000 1.064 115 Q HN 0.659 nan 8.270 nan 0.000 0.511 116 G N 2.178 110.986 108.800 0.014 0.000 2.467 116 G HA2 -0.182 3.778 3.960 0.000 0.000 0.242 116 G HA3 -0.182 3.778 3.960 0.000 0.000 0.242 116 G C -0.515 174.403 174.900 0.030 0.000 1.127 116 G CA -0.130 44.979 45.100 0.015 0.000 0.924 116 G HN 0.251 nan 8.290 nan 0.000 0.499 117 D N -0.946 119.476 120.400 0.036 0.000 2.354 117 D HA 0.245 4.885 4.640 0.000 0.000 0.238 117 D C 0.898 177.256 176.300 0.097 0.000 1.250 117 D CA -0.239 53.803 54.000 0.071 0.000 0.911 117 D CB 0.254 41.096 40.800 0.069 0.000 1.163 117 D HN 0.309 nan 8.370 nan 0.000 0.456 118 Y N 1.534 121.835 120.300 0.002 0.000 2.805 118 Y HA -0.058 4.492 4.550 0.000 0.000 0.331 118 Y C 0.725 176.628 175.900 0.004 0.000 1.241 118 Y CA 0.637 58.740 58.100 0.004 0.000 1.546 118 Y CB -0.088 38.375 38.460 0.005 0.000 1.248 118 Y HN 0.532 nan 8.280 nan 0.000 0.559 119 E N 2.856 122.810 120.200 -0.409 0.000 2.183 119 E HA -0.362 3.988 4.350 0.000 0.000 0.196 119 E C -0.432 176.103 176.600 -0.108 0.000 1.364 119 E CA 0.911 57.117 56.400 -0.324 0.000 0.700 119 E CB -0.812 28.609 29.700 -0.464 0.000 1.106 119 E HN 0.718 nan 8.360 nan 0.000 0.347 120 E N 1.286 121.446 120.200 -0.067 0.000 2.259 120 E HA 0.424 4.774 4.350 0.000 0.000 0.281 120 E C -0.725 175.850 176.600 -0.041 0.000 1.037 120 E CA -0.498 55.884 56.400 -0.030 0.000 0.854 120 E CB 0.717 30.411 29.700 -0.011 0.000 1.051 120 E HN 0.215 nan 8.360 nan 0.000 0.409 121 L N 3.976 125.167 121.223 -0.054 0.000 2.672 121 L HA 0.228 4.568 4.340 0.000 0.000 0.256 121 L C -1.709 175.104 176.870 -0.095 0.000 0.946 121 L CA -0.636 54.164 54.840 -0.066 0.000 0.889 121 L CB 2.093 44.106 42.059 -0.076 0.000 1.441 121 L HN 0.514 nan 8.230 nan 0.000 0.418 122 D N 2.694 123.052 120.400 -0.070 0.000 2.455 122 D HA 0.135 4.775 4.640 0.000 0.000 0.234 122 D C 0.726 176.937 176.300 -0.148 0.000 1.224 122 D CA 0.327 54.282 54.000 -0.074 0.000 0.999 122 D CB 0.827 41.611 40.800 -0.028 0.000 1.072 122 D HN 0.674 nan 8.370 nan 0.000 0.514 123 Q N 2.463 122.077 119.800 -0.310 0.000 2.124 123 Q HA -0.176 4.164 4.340 0.000 0.000 0.202 123 Q C 1.962 177.748 176.000 -0.357 0.000 0.977 123 Q CA 1.039 56.371 55.803 -0.784 0.000 0.850 123 Q CB 0.129 28.248 28.738 -1.033 0.000 0.901 123 Q HN 0.594 nan 8.270 nan 0.000 0.429 124 M N 0.784 120.397 119.600 0.023 0.000 2.065 124 M HA -0.213 4.267 4.480 0.000 0.000 0.259 124 M C 1.361 177.727 176.300 0.109 0.000 1.069 124 M CA 1.596 57.024 55.300 0.214 0.000 1.110 124 M CB -0.083 32.621 32.600 0.173 0.000 1.328 124 M HN 0.177 nan 8.290 nan 0.000 0.405 125 N N 0.554 119.281 118.700 0.045 0.000 2.331 125 N HA -0.039 4.702 4.740 0.000 0.000 0.180 125 N C 1.668 177.210 175.510 0.054 0.000 1.019 125 N CA 1.292 54.364 53.050 0.037 0.000 0.881 125 N CB -0.277 38.222 38.487 0.020 0.000 0.972 125 N HN 0.458 nan 8.380 nan 0.000 0.435 126 A N 1.062 123.921 122.820 0.066 0.000 1.972 126 A HA 0.000 4.320 4.320 0.000 0.000 0.219 126 A C 2.257 180.000 177.584 0.265 0.000 1.169 126 A CA 1.776 53.914 52.037 0.168 0.000 0.635 126 A CB -0.415 18.723 19.000 0.231 0.000 0.810 126 A HN 0.313 nan 8.150 nan 0.000 0.446 127 A N -0.947 122.008 122.820 0.226 0.000 2.123 127 A HA 0.084 4.404 4.320 0.000 0.000 0.214 127 A C 1.956 179.631 177.584 0.150 0.000 1.152 127 A CA 1.130 53.290 52.037 0.205 0.000 0.728 127 A CB -0.251 18.768 19.000 0.032 0.000 0.814 127 A HN 0.491 nan 8.150 nan 0.000 0.464 128 K N -0.060 120.379 120.400 0.066 0.000 2.044 128 K HA -0.141 4.179 4.320 0.000 0.000 0.210 128 K C -0.959 175.572 176.600 -0.115 0.000 1.049 128 K CA 1.883 58.158 56.287 -0.020 0.000 0.927 128 K CB -0.844 31.635 32.500 -0.035 0.000 0.713 128 K HN 0.360 nan 8.250 nan 0.000 0.443 129 P HA -0.101 nan 4.420 nan 0.000 0.230 129 P C 0.084 177.016 177.300 -0.613 0.000 1.158 129 P CA 1.082 63.889 63.100 -0.488 0.000 0.769 129 P CB 0.110 31.373 31.700 -0.728 0.000 0.807 130 Y N -1.410 118.885 120.300 -0.010 0.000 2.481 130 Y HA 0.556 5.106 4.550 0.001 0.000 0.247 130 Y C 1.000 176.874 175.900 -0.043 0.000 1.151 130 Y CA -0.623 57.463 58.100 -0.023 0.000 1.238 130 Y CB 0.055 38.506 38.460 -0.014 0.000 1.179 130 Y HN -0.161 nan 8.280 nan 0.000 0.524 131 A N -0.168 122.679 122.820 0.044 0.000 2.454 131 A HA 0.476 4.796 4.320 0.000 0.000 0.302 131 A C 0.720 178.290 177.584 -0.024 0.000 1.079 131 A CA -0.783 51.274 52.037 0.034 0.000 0.731 131 A CB 1.458 20.503 19.000 0.076 0.000 1.299 131 A HN 0.182 nan 8.150 nan 0.000 0.413 132 K N 0.118 120.503 120.400 -0.024 0.000 2.103 132 K HA 0.076 4.396 4.320 0.000 0.000 0.207 132 K C 0.717 177.266 176.600 -0.086 0.000 1.048 132 K CA 1.802 58.065 56.287 -0.040 0.000 0.930 132 K CB -0.113 32.381 32.500 -0.011 0.000 0.716 132 K HN 0.854 nan 8.250 nan 0.000 0.444 133 A N -0.218 122.514 122.820 -0.147 0.000 2.612 133 A HA 0.703 5.023 4.320 0.000 0.000 0.293 133 A C -1.859 175.475 177.584 -0.417 0.000 1.075 133 A CA -0.552 51.254 52.037 -0.384 0.000 0.680 133 A CB 1.809 20.401 19.000 -0.679 0.000 1.279 133 A HN 0.071 nan 8.150 nan 0.000 0.411 134 A N 0.743 123.239 122.820 -0.540 0.000 2.385 134 A HA 0.776 5.096 4.320 0.000 0.000 0.290 134 A C -1.481 175.870 177.584 -0.389 0.000 1.094 134 A CA -0.292 51.603 52.037 -0.237 0.000 0.729 134 A CB 0.304 19.366 19.000 0.102 0.000 1.194 134 A HN 0.862 nan 8.150 nan 0.000 0.442 135 F N 0.776 120.736 119.950 0.016 0.000 2.522 135 F HA 0.777 5.304 4.527 -0.000 0.000 0.324 135 F C 0.530 176.280 175.800 -0.082 0.000 1.077 135 F CA -0.610 57.375 58.000 -0.026 0.000 0.944 135 F CB 2.165 41.145 39.000 -0.033 0.000 1.175 135 F HN 0.641 nan 8.300 nan 0.000 0.468 136 R N 1.314 121.908 120.500 0.157 0.000 2.575 136 R HA 0.773 5.113 4.340 0.000 0.000 0.293 136 R C -2.193 174.135 176.300 0.046 0.000 0.983 136 R CA -0.585 55.547 56.100 0.052 0.000 0.887 136 R CB 1.786 32.116 30.300 0.051 0.000 1.184 136 R HN 0.548 nan 8.270 nan 0.000 0.445 137 V N 5.030 124.952 119.914 0.014 0.000 2.347 137 V HA 0.222 4.342 4.120 0.000 0.000 0.280 137 V C 0.086 176.184 176.094 0.007 0.000 1.021 137 V CA -0.541 61.764 62.300 0.008 0.000 0.847 137 V CB 1.415 33.235 31.823 -0.005 0.000 0.990 137 V HN 0.901 nan 8.190 nan 0.000 0.444 138 N N 2.492 121.198 118.700 0.009 0.000 2.388 138 N HA 0.091 4.832 4.740 0.000 0.000 0.176 138 N C 0.239 175.752 175.510 0.004 0.000 1.062 138 N CA 0.256 53.311 53.050 0.008 0.000 0.895 138 N CB 0.391 38.885 38.487 0.011 0.000 1.018 138 N HN 0.699 nan 8.380 nan 0.000 0.456 139 Q N 0.334 120.134 119.800 0.001 0.000 2.333 139 Q HA 0.265 4.605 4.340 0.000 0.000 0.267 139 Q C -1.941 174.058 176.000 -0.002 0.000 1.012 139 Q CA -2.089 53.714 55.803 -0.001 0.000 0.824 139 Q CB 2.324 31.060 28.738 -0.003 0.000 1.290 139 Q HN 0.034 nan 8.270 nan 0.000 0.449 140 P HA -0.239 nan 4.420 nan 0.000 0.222 140 P C 0.839 178.139 177.300 -0.000 0.000 1.147 140 P CA 1.230 64.332 63.100 0.003 0.000 0.790 140 P CB 0.369 32.072 31.700 0.006 0.000 0.780 141 Q N -0.370 119.427 119.800 -0.004 0.000 2.488 141 Q HA -0.091 4.249 4.340 0.000 0.000 0.211 141 Q C 0.305 176.297 176.000 -0.013 0.000 0.967 141 Q CA 1.180 56.978 55.803 -0.007 0.000 0.926 141 Q CB -0.654 28.080 28.738 -0.008 0.000 0.992 141 Q HN 0.215 nan 8.270 nan 0.000 0.506 142 D N 0.358 120.748 120.400 -0.017 0.000 2.398 142 D HA 0.191 4.831 4.640 0.000 0.000 0.210 142 D C 1.747 178.026 176.300 -0.036 0.000 1.094 142 D CA -0.098 53.884 54.000 -0.030 0.000 0.839 142 D CB 0.252 41.034 40.800 -0.030 0.000 0.963 142 D HN 0.170 nan 8.370 nan 0.000 0.506 143 L N 0.510 121.721 121.223 -0.021 0.000 2.079 143 L HA -0.077 4.263 4.340 0.000 0.000 0.210 143 L C 2.397 179.251 176.870 -0.026 0.000 1.081 143 L CA 1.603 56.432 54.840 -0.018 0.000 0.752 143 L CB -0.369 41.689 42.059 -0.001 0.000 0.896 143 L HN 0.111 nan 8.230 nan 0.000 0.433 144 G N -0.350 108.436 108.800 -0.024 0.000 2.396 144 G HA2 -0.206 3.755 3.960 0.000 0.000 0.214 144 G HA3 -0.206 3.755 3.960 0.000 0.000 0.214 144 G C 1.548 176.421 174.900 -0.045 0.000 1.166 144 G CA 0.386 45.472 45.100 -0.023 0.000 0.793 144 G HN 0.225 nan 8.290 nan 0.000 0.533 145 I N 1.525 122.059 120.570 -0.060 0.000 2.252 145 I HA 0.008 4.178 4.170 0.000 0.000 0.245 145 I C 3.000 179.026 176.117 -0.151 0.000 1.102 145 I CA 1.401 62.646 61.300 -0.092 0.000 1.385 145 I CB -0.153 37.795 38.000 -0.087 0.000 1.064 145 I HN 0.179 nan 8.210 nan 0.000 0.414 146 A N 0.107 122.835 122.820 -0.154 0.000 1.883 146 A HA -0.237 4.083 4.320 0.000 0.000 0.217 146 A C 2.259 179.747 177.584 -0.161 0.000 1.186 146 A CA 2.098 54.004 52.037 -0.219 0.000 0.624 146 A CB -1.204 17.718 19.000 -0.129 0.000 0.822 146 A HN 0.489 nan 8.150 nan 0.000 0.444 147 L N -0.259 120.920 121.223 -0.073 0.000 2.046 147 L HA -0.084 4.256 4.340 0.000 0.000 0.208 147 L C 2.705 179.557 176.870 -0.031 0.000 1.077 147 L CA 2.139 56.963 54.840 -0.027 0.000 0.747 147 L CB -0.809 41.247 42.059 -0.004 0.000 0.896 147 L HN 0.376 nan 8.230 nan 0.000 0.432 148 A N -0.172 122.615 122.820 -0.054 0.000 1.873 148 A HA -0.272 4.048 4.320 0.000 0.000 0.218 148 A C 2.400 179.949 177.584 -0.058 0.000 1.193 148 A CA 2.160 54.169 52.037 -0.047 0.000 0.629 148 A CB -0.615 18.353 19.000 -0.054 0.000 0.826 148 A HN 0.531 nan 8.150 nan 0.000 0.447 149 R N -0.698 119.713 120.500 -0.149 0.000 2.080 149 R HA -0.119 4.221 4.340 0.000 0.000 0.236 149 R C 2.576 178.886 176.300 0.017 0.000 1.137 149 R CA 1.316 57.304 56.100 -0.186 0.000 0.943 149 R CB -0.764 29.146 30.300 -0.650 0.000 0.846 149 R HN 0.519 nan 8.270 nan 0.000 0.431 150 A N 1.696 124.548 122.820 0.053 0.000 1.884 150 A HA -0.226 4.094 4.320 0.000 0.000 0.219 150 A C 2.257 179.929 177.584 0.147 0.000 1.197 150 A CA 1.777 53.945 52.037 0.218 0.000 0.637 150 A CB -0.731 18.373 19.000 0.174 0.000 0.827 150 A HN 0.239 nan 8.150 nan 0.000 0.450 151 I N -1.291 119.330 120.570 0.086 0.000 2.179 151 I HA -0.271 3.899 4.170 0.000 0.000 0.242 151 I C 2.830 178.996 176.117 0.081 0.000 1.088 151 I CA 1.617 62.964 61.300 0.078 0.000 1.357 151 I CB -0.391 37.641 38.000 0.052 0.000 1.051 151 I HN 0.280 nan 8.210 nan 0.000 0.409 152 R N 0.187 120.728 120.500 0.068 0.000 2.081 152 R HA -0.118 4.222 4.340 0.000 0.000 0.235 152 R C 2.337 178.690 176.300 0.088 0.000 1.131 152 R CA 1.281 57.421 56.100 0.066 0.000 0.960 152 R CB -0.447 29.881 30.300 0.047 0.000 0.856 152 R HN 0.226 nan 8.270 nan 0.000 0.436 153 V N 1.040 121.030 119.914 0.126 0.000 2.358 153 V HA -0.246 3.874 4.120 0.000 0.000 0.246 153 V C 2.476 178.632 176.094 0.103 0.000 1.047 153 V CA 2.131 64.513 62.300 0.136 0.000 1.035 153 V CB -0.396 31.561 31.823 0.222 0.000 0.658 153 V HN 0.485 nan 8.190 nan 0.000 0.452 154 S N 0.949 116.717 115.700 0.113 0.000 2.399 154 S HA -0.129 4.341 4.470 0.000 0.000 0.231 154 S C 1.745 176.394 174.600 0.082 0.000 1.022 154 S CA 1.632 59.889 58.200 0.096 0.000 0.983 154 S CB -0.399 62.868 63.200 0.112 0.000 0.803 154 S HN 0.660 nan 8.310 nan 0.000 0.480 155 V N -0.155 119.814 119.914 0.092 0.000 3.578 155 V HA 0.367 4.487 4.120 0.000 0.000 0.290 155 V C 0.768 176.915 176.094 0.089 0.000 1.376 155 V CA -0.005 62.359 62.300 0.107 0.000 1.083 155 V CB -0.731 31.172 31.823 0.133 0.000 0.911 155 V HN 0.593 nan 8.190 nan 0.000 0.433 156 S N 0.116 115.856 115.700 0.066 0.000 2.693 156 S HA 0.774 5.244 4.470 0.000 0.000 0.276 156 S C 0.941 175.560 174.600 0.032 0.000 1.192 156 S CA 0.296 58.528 58.200 0.053 0.000 0.994 156 S CB 0.966 64.196 63.200 0.050 0.000 1.012 156 S HN 1.807 nan 8.310 nan 0.000 0.550 157 G N 1.370 110.186 108.800 0.026 0.000 2.594 157 G HA2 -0.333 3.627 3.960 0.000 0.000 0.297 157 G HA3 -0.333 3.627 3.960 0.000 0.000 0.297 157 G C -0.120 174.776 174.900 -0.007 0.000 1.273 157 G CA 0.404 45.509 45.100 0.009 0.000 0.974 157 G HN 1.077 nan 8.290 nan 0.000 0.552 158 R N 1.608 122.089 120.500 -0.031 0.000 2.316 158 R HA 0.432 4.772 4.340 0.000 0.000 0.314 158 R C -2.110 174.139 176.300 -0.085 0.000 1.069 158 R CA -1.032 55.027 56.100 -0.068 0.000 0.959 158 R CB 0.390 30.645 30.300 -0.075 0.000 0.987 158 R HN 0.298 nan 8.270 nan 0.000 0.446 159 P HA 0.205 nan 4.420 nan 0.000 0.270 159 P C -0.576 176.674 177.300 -0.082 0.000 1.223 159 P CA -0.136 62.896 63.100 -0.114 0.000 0.785 159 P CB 1.142 32.695 31.700 -0.246 0.000 0.923 160 G N -0.673 108.115 108.800 -0.020 0.000 2.489 160 G HA2 0.528 4.488 3.960 0.000 0.000 0.305 160 G HA3 0.528 4.488 3.960 0.000 0.000 0.305 160 G C -0.898 174.025 174.900 0.038 0.000 1.311 160 G CA -0.354 44.738 45.100 -0.014 0.000 0.813 160 G HN 0.586 nan 8.290 nan 0.000 0.480 161 G N -1.233 107.588 108.800 0.035 0.000 2.442 161 G HA2 0.534 4.494 3.960 0.000 0.000 0.249 161 G HA3 0.534 4.494 3.960 0.000 0.000 0.249 161 G C -0.642 174.304 174.900 0.078 0.000 1.263 161 G CA -0.017 45.126 45.100 0.070 0.000 0.846 161 G HN 0.948 nan 8.290 nan 0.000 0.555 162 V N 2.595 122.577 119.914 0.112 0.000 2.656 162 V HA 0.304 4.424 4.120 0.000 0.000 0.307 162 V C -1.075 175.132 176.094 0.188 0.000 1.051 162 V CA -0.911 61.461 62.300 0.119 0.000 0.893 162 V CB 1.723 33.629 31.823 0.138 0.000 0.999 162 V HN 0.708 nan 8.190 nan 0.000 0.426 163 Y N 5.624 125.952 120.300 0.046 0.000 2.328 163 Y HA 0.714 5.264 4.550 0.000 0.000 0.337 163 Y C -0.835 175.140 175.900 0.126 0.000 1.008 163 Y CA -1.236 56.926 58.100 0.103 0.000 1.129 163 Y CB 1.523 40.064 38.460 0.135 0.000 1.185 163 Y HN 0.555 nan 8.280 nan 0.000 0.476 164 L N 7.452 128.397 121.223 -0.463 0.000 2.319 164 L HA 0.404 4.745 4.340 0.000 0.000 0.281 164 L C -1.016 175.468 176.870 -0.644 0.000 1.005 164 L CA -0.285 54.322 54.840 -0.389 0.000 0.828 164 L CB 0.993 43.010 42.059 -0.070 0.000 1.227 164 L HN 0.704 nan 8.230 nan 0.000 0.415 165 D N 5.606 125.648 120.400 -0.596 0.000 2.232 165 D HA 0.332 4.972 4.640 0.000 0.000 0.242 165 D C -1.173 175.055 176.300 -0.120 0.000 1.093 165 D CA -0.241 53.527 54.000 -0.387 0.000 0.845 165 D CB 1.188 41.882 40.800 -0.177 0.000 1.124 165 D HN 0.550 nan 8.370 nan 0.000 0.467 166 L N 5.488 126.687 121.223 -0.042 0.000 2.401 166 L HA 0.330 4.671 4.340 0.000 0.000 0.263 166 L C -2.364 174.516 176.870 0.017 0.000 1.004 166 L CA -1.894 52.943 54.840 -0.005 0.000 0.881 166 L CB 1.842 43.905 42.059 0.007 0.000 1.219 166 L HN 0.121 nan 8.230 nan 0.000 0.441 167 P HA 0.019 nan 4.420 nan 0.000 0.266 167 P C 0.723 178.037 177.300 0.022 0.000 1.195 167 P CA 0.084 63.197 63.100 0.022 0.000 0.768 167 P CB 1.182 32.892 31.700 0.016 0.000 0.838 168 A N 3.802 126.638 122.820 0.027 0.000 1.958 168 A HA -0.290 4.030 4.320 0.000 0.000 0.221 168 A C 1.867 179.457 177.584 0.009 0.000 1.178 168 A CA 2.042 54.090 52.037 0.019 0.000 0.642 168 A CB -1.209 17.800 19.000 0.015 0.000 0.816 168 A HN 0.527 nan 8.150 nan 0.000 0.453 169 N N -0.557 118.148 118.700 0.008 0.000 2.396 169 N HA -0.070 4.670 4.740 0.000 0.000 0.180 169 N C 1.540 177.053 175.510 0.005 0.000 1.028 169 N CA 1.188 54.240 53.050 0.004 0.000 0.893 169 N CB -0.316 38.173 38.487 0.003 0.000 0.967 169 N HN 0.315 nan 8.380 nan 0.000 0.440 170 V N 0.673 120.591 119.914 0.008 0.000 2.591 170 V HA -0.007 4.113 4.120 0.000 0.000 0.249 170 V C 1.959 178.059 176.094 0.010 0.000 1.053 170 V CA 0.809 63.113 62.300 0.008 0.000 1.068 170 V CB -0.100 31.728 31.823 0.007 0.000 0.689 170 V HN 0.153 nan 8.190 nan 0.000 0.462 171 L N 0.184 121.414 121.223 0.011 0.000 2.056 171 L HA -0.050 4.290 4.340 0.000 0.000 0.207 171 L C 2.733 179.612 176.870 0.014 0.000 1.078 171 L CA 1.670 56.518 54.840 0.013 0.000 0.749 171 L CB -0.761 41.305 42.059 0.011 0.000 0.901 171 L HN 0.382 nan 8.230 nan 0.000 0.433 172 A N 0.139 122.964 122.820 0.007 0.000 2.015 172 A HA 0.111 4.431 4.320 0.000 0.000 0.219 172 A C 1.472 179.058 177.584 0.002 0.000 1.163 172 A CA 0.759 52.798 52.037 0.004 0.000 0.646 172 A CB -0.646 18.352 19.000 -0.003 0.000 0.806 172 A HN 0.314 nan 8.150 nan 0.000 0.448 173 A N 0.821 123.643 122.820 0.003 0.000 2.540 173 A HA 0.445 4.765 4.320 0.000 0.000 0.239 173 A C 0.773 178.356 177.584 -0.001 0.000 1.061 173 A CA 0.651 52.688 52.037 -0.000 0.000 0.758 173 A CB -0.427 18.574 19.000 0.001 0.000 0.991 173 A HN 0.804 nan 8.150 nan 0.000 0.502 174 T N 0.771 115.320 114.554 -0.008 0.000 2.925 174 T HA 0.733 5.083 4.350 0.000 0.000 0.285 174 T C -0.177 174.514 174.700 -0.014 0.000 1.021 174 T CA -0.490 61.601 62.100 -0.015 0.000 1.042 174 T CB 1.151 70.004 68.868 -0.024 0.000 1.037 174 T HN 1.028 nan 8.240 nan 0.000 0.481 175 M N -0.378 119.212 119.600 -0.017 0.000 2.664 175 M HA 0.628 5.108 4.480 0.000 0.000 0.279 175 M C -0.671 175.617 176.300 -0.021 0.000 1.275 175 M CA -1.165 54.126 55.300 -0.015 0.000 0.829 175 M CB 1.757 34.352 32.600 -0.009 0.000 1.727 175 M HN 0.484 nan 8.290 nan 0.000 0.459 176 E N 2.212 122.401 120.200 -0.018 0.000 2.480 176 E HA -0.031 4.319 4.350 0.000 0.000 0.258 176 E C 0.127 176.716 176.600 -0.018 0.000 0.984 176 E CA 0.451 56.839 56.400 -0.019 0.000 0.930 176 E CB 1.124 30.815 29.700 -0.014 0.000 0.936 176 E HN 0.803 nan 8.360 nan 0.000 0.466 177 K N 3.973 124.359 120.400 -0.024 0.000 2.097 177 K HA -0.206 4.114 4.320 0.000 0.000 0.206 177 K C 1.008 177.602 176.600 -0.009 0.000 1.049 177 K CA 1.835 58.109 56.287 -0.021 0.000 0.933 177 K CB 0.122 32.603 32.500 -0.032 0.000 0.717 177 K HN 0.374 nan 8.250 nan 0.000 0.442 178 D N 0.384 120.778 120.400 -0.009 0.000 2.097 178 D HA -0.157 4.483 4.640 0.000 0.000 0.197 178 D C 1.781 178.079 176.300 -0.003 0.000 0.984 178 D CA 1.175 55.172 54.000 -0.005 0.000 0.826 178 D CB 0.059 40.855 40.800 -0.006 0.000 0.973 178 D HN 0.344 nan 8.370 nan 0.000 0.460 179 E N 0.095 120.292 120.200 -0.005 0.000 2.051 179 E HA -0.217 4.133 4.350 0.000 0.000 0.192 179 E C 2.007 178.606 176.600 -0.002 0.000 0.991 179 E CA 1.065 57.463 56.400 -0.004 0.000 0.799 179 E CB -0.101 29.595 29.700 -0.006 0.000 0.748 179 E HN 0.200 nan 8.360 nan 0.000 0.449 180 A N 1.379 124.198 122.820 -0.001 0.000 1.896 180 A HA -0.251 4.069 4.320 0.000 0.000 0.220 180 A C 2.249 179.838 177.584 0.008 0.000 1.206 180 A CA 1.802 53.841 52.037 0.004 0.000 0.647 180 A CB -1.021 17.983 19.000 0.006 0.000 0.828 180 A HN 0.388 nan 8.150 nan 0.000 0.455 181 L N -0.236 120.993 121.223 0.009 0.000 2.127 181 L HA -0.176 4.164 4.340 0.000 0.000 0.211 181 L C 2.883 179.757 176.870 0.006 0.000 1.089 181 L CA 1.806 56.652 54.840 0.011 0.000 0.757 181 L CB -0.721 41.344 42.059 0.011 0.000 0.899 181 L HN 0.730 nan 8.230 nan 0.000 0.434 182 T N -4.878 109.678 114.554 0.002 0.000 3.113 182 T HA -0.105 4.245 4.350 0.000 0.000 0.263 182 T C 1.546 176.244 174.700 -0.003 0.000 1.143 182 T CA 1.123 63.223 62.100 -0.001 0.000 1.090 182 T CB -0.491 68.376 68.868 -0.002 0.000 0.922 182 T HN 0.450 nan 8.240 nan 0.000 0.521 183 T N -0.714 113.839 114.554 -0.002 0.000 3.086 183 T HA 0.404 4.754 4.350 0.000 0.000 0.250 183 T C 0.577 175.274 174.700 -0.007 0.000 1.074 183 T CA -0.564 61.532 62.100 -0.006 0.000 0.988 183 T CB -0.536 68.328 68.868 -0.006 0.000 0.988 183 T HN 0.462 nan 8.240 nan 0.000 0.530 184 I N 2.295 122.864 120.570 -0.001 0.000 2.395 184 I HA 0.387 4.557 4.170 0.000 0.000 0.289 184 I C -0.577 175.538 176.117 -0.004 0.000 1.023 184 I CA -1.023 60.278 61.300 0.001 0.000 1.350 184 I CB 1.627 39.633 38.000 0.010 0.000 1.409 184 I HN -0.031 nan 8.210 nan 0.000 0.507 185 V N 6.635 126.544 119.914 -0.008 0.000 2.409 185 V HA 0.300 4.420 4.120 0.000 0.000 0.291 185 V C -0.029 176.062 176.094 -0.006 0.000 1.020 185 V CA -0.852 61.442 62.300 -0.010 0.000 0.848 185 V CB 1.654 33.464 31.823 -0.021 0.000 0.990 185 V HN 0.630 nan 8.190 nan 0.000 0.430 186 K N 4.032 124.430 120.400 -0.003 0.000 2.263 186 K HA 0.588 4.909 4.320 0.000 0.000 0.272 186 K C -0.943 175.658 176.600 0.000 0.000 1.033 186 K CA -0.461 55.826 56.287 0.001 0.000 0.884 186 K CB 1.568 34.069 32.500 0.002 0.000 1.107 186 K HN 0.520 nan 8.250 nan 0.000 0.460 187 V N 4.908 124.824 119.914 0.003 0.000 2.488 187 V HA 0.119 4.239 4.120 0.000 0.000 0.277 187 V C 0.034 176.132 176.094 0.006 0.000 1.046 187 V CA -0.319 61.983 62.300 0.004 0.000 0.986 187 V CB 1.138 32.966 31.823 0.008 0.000 0.989 187 V HN 0.748 nan 8.190 nan 0.000 0.475 188 E N 4.100 124.303 120.200 0.005 0.000 2.191 188 E HA 0.270 4.620 4.350 0.000 0.000 0.278 188 E C 0.098 176.702 176.600 0.008 0.000 0.972 188 E CA -0.749 55.654 56.400 0.005 0.000 0.804 188 E CB 0.960 30.662 29.700 0.003 0.000 1.110 188 E HN 0.627 nan 8.360 nan 0.000 0.394 189 N N 2.644 121.349 118.700 0.008 0.000 2.671 189 N HA -0.142 4.598 4.740 0.000 0.000 0.261 189 N C -1.715 173.806 175.510 0.018 0.000 1.053 189 N CA 0.203 53.259 53.050 0.011 0.000 0.732 189 N CB -0.433 38.059 38.487 0.008 0.000 0.887 189 N HN 0.339 nan 8.380 nan 0.000 0.546 190 P HA -0.110 nan 4.420 nan 0.000 0.216 190 P C 0.061 177.385 177.300 0.041 0.000 1.150 190 P CA 1.348 64.468 63.100 0.033 0.000 0.837 190 P CB -0.032 31.693 31.700 0.042 0.000 0.786 191 S N 0.121 115.848 115.700 0.045 0.000 2.577 191 S HA 0.474 4.945 4.470 0.000 0.000 0.294 191 S C -2.454 172.167 174.600 0.036 0.000 1.161 191 S CA -1.568 56.661 58.200 0.048 0.000 1.143 191 S CB 0.824 64.067 63.200 0.072 0.000 0.991 191 S HN -0.029 nan 8.310 nan 0.000 0.475 192 P HA 0.253 nan 4.420 nan 0.000 0.269 192 P C 0.106 177.419 177.300 0.021 0.000 1.215 192 P CA -0.252 62.859 63.100 0.020 0.000 0.780 192 P CB 0.404 32.114 31.700 0.016 0.000 0.898 193 A N 2.858 125.687 122.820 0.014 0.000 2.540 193 A HA 0.212 4.532 4.320 0.000 0.000 0.239 193 A C 0.095 177.686 177.584 0.012 0.000 1.061 193 A CA 0.165 52.209 52.037 0.012 0.000 0.758 193 A CB -0.712 18.291 19.000 0.006 0.000 0.991 193 A HN 0.541 nan 8.150 nan 0.000 0.502 194 L N 3.216 124.447 121.223 0.013 0.000 2.342 194 L HA 0.340 4.680 4.340 0.000 0.000 0.276 194 L C -1.104 175.770 176.870 0.006 0.000 0.997 194 L CA -0.677 54.169 54.840 0.010 0.000 0.838 194 L CB 1.439 43.506 42.059 0.013 0.000 1.224 194 L HN 0.530 nan 8.230 nan 0.000 0.416 195 L N 5.685 126.911 121.223 0.005 0.000 2.325 195 L HA 0.565 4.906 4.340 0.000 0.000 0.279 195 L C -1.804 175.067 176.870 0.002 0.000 1.054 195 L CA -1.482 53.359 54.840 0.002 0.000 0.804 195 L CB 0.249 42.310 42.059 0.003 0.000 1.200 195 L HN 0.344 nan 8.230 nan 0.000 0.436 196 P HA 0.031 nan 4.420 nan 0.000 0.274 196 P C -0.423 176.880 177.300 0.004 0.000 1.246 196 P CA -0.688 62.413 63.100 0.001 0.000 0.795 196 P CB 0.548 32.247 31.700 -0.003 0.000 1.006 197 C N 3.468 122.771 119.300 0.005 0.000 2.517 197 C HA 0.053 4.513 4.460 0.000 0.000 0.403 197 C C -0.856 174.140 174.990 0.009 0.000 1.467 197 C CA -0.941 58.081 59.018 0.007 0.000 1.542 197 C CB -1.367 26.377 27.740 0.006 0.000 2.482 197 C HN 0.444 nan 8.230 nan 0.000 0.610 198 P HA -0.140 nan 4.420 nan 0.000 0.216 198 P C 1.274 178.584 177.300 0.018 0.000 1.150 198 P CA 1.900 65.009 63.100 0.015 0.000 0.843 198 P CB -0.020 31.689 31.700 0.015 0.000 0.787 199 K N -0.265 120.144 120.400 0.015 0.000 2.147 199 K HA -0.088 4.232 4.320 0.000 0.000 0.205 199 K C 2.270 178.880 176.600 0.016 0.000 1.049 199 K CA 1.794 58.090 56.287 0.015 0.000 0.936 199 K CB -0.548 31.959 32.500 0.011 0.000 0.722 199 K HN 0.259 nan 8.250 nan 0.000 0.446 200 S N 0.582 116.290 115.700 0.015 0.000 2.387 200 S HA -0.067 4.403 4.470 0.000 0.000 0.226 200 S C 2.160 176.774 174.600 0.022 0.000 1.026 200 S CA 0.691 58.901 58.200 0.016 0.000 0.972 200 S CB -0.415 62.792 63.200 0.011 0.000 0.814 200 S HN 0.015 nan 8.310 nan 0.000 0.477 201 V N 2.932 122.859 119.914 0.023 0.000 2.295 201 V HA -0.159 3.961 4.120 0.000 0.000 0.246 201 V C 3.289 179.414 176.094 0.052 0.000 1.049 201 V CA 2.220 64.540 62.300 0.032 0.000 1.024 201 V CB -1.471 30.369 31.823 0.029 0.000 0.648 201 V HN 0.892 nan 8.190 nan 0.000 0.447 202 T N -2.283 112.298 114.554 0.044 0.000 2.777 202 T HA -0.180 4.170 4.350 0.000 0.000 0.266 202 T C 1.970 176.694 174.700 0.040 0.000 1.040 202 T CA 1.845 63.974 62.100 0.049 0.000 1.141 202 T CB -0.522 68.369 68.868 0.037 0.000 0.868 202 T HN 0.418 nan 8.240 nan 0.000 0.444 203 S N 2.089 117.805 115.700 0.027 0.000 2.387 203 S HA -0.006 4.464 4.470 0.000 0.000 0.230 203 S C 2.591 177.205 174.600 0.023 0.000 1.035 203 S CA 1.159 59.370 58.200 0.018 0.000 1.014 203 S CB -0.941 62.267 63.200 0.013 0.000 0.836 203 S HN 0.821 nan 8.310 nan 0.000 0.466 204 A N 1.794 124.639 122.820 0.042 0.000 1.902 204 A HA -0.043 4.277 4.320 0.000 0.000 0.217 204 A C 2.037 179.674 177.584 0.088 0.000 1.181 204 A CA 1.147 53.220 52.037 0.060 0.000 0.623 204 A CB -0.550 18.489 19.000 0.064 0.000 0.818 204 A HN 0.411 nan 8.150 nan 0.000 0.443 205 I N -0.304 120.339 120.570 0.121 0.000 2.252 205 I HA -0.148 4.022 4.170 0.000 0.000 0.245 205 I C 2.726 178.846 176.117 0.005 0.000 1.102 205 I CA 1.787 63.190 61.300 0.172 0.000 1.385 205 I CB -1.400 36.740 38.000 0.233 0.000 1.064 205 I HN 0.405 nan 8.210 nan 0.000 0.414 206 S N 1.046 116.742 115.700 -0.006 0.000 2.370 206 S HA -0.196 4.274 4.470 0.000 0.000 0.226 206 S C 2.011 176.540 174.600 -0.118 0.000 1.033 206 S CA 1.495 59.660 58.200 -0.058 0.000 1.011 206 S CB -0.303 62.884 63.200 -0.022 0.000 0.852 206 S HN 0.364 nan 8.310 nan 0.000 0.457 207 L N 1.199 122.369 121.223 -0.088 0.000 2.131 207 L HA 0.240 4.580 4.340 0.000 0.000 0.206 207 L C 2.061 178.828 176.870 -0.171 0.000 1.087 207 L CA 1.433 56.212 54.840 -0.103 0.000 0.767 207 L CB -0.572 41.455 42.059 -0.053 0.000 0.917 207 L HN 0.355 nan 8.230 nan 0.000 0.441 208 L N -0.401 120.710 121.223 -0.186 0.000 2.083 208 L HA -0.177 4.163 4.340 0.000 0.000 0.209 208 L C 2.652 179.013 176.870 -0.848 0.000 1.083 208 L CA 1.179 55.828 54.840 -0.317 0.000 0.752 208 L CB -0.833 41.188 42.059 -0.064 0.000 0.899 208 L HN 0.394 nan 8.230 nan 0.000 0.433 209 A N -0.254 121.975 122.820 -0.986 0.000 1.930 209 A HA -0.190 4.130 4.320 0.000 0.000 0.217 209 A C 2.240 179.544 177.584 -0.467 0.000 1.175 209 A CA 1.400 52.815 52.037 -1.038 0.000 0.627 209 A CB -0.275 18.392 19.000 -0.555 0.000 0.815 209 A HN 0.292 nan 8.150 nan 0.000 0.443 210 K N -0.145 120.072 120.400 -0.306 0.000 2.486 210 K HA 0.202 4.523 4.320 0.000 0.000 0.194 210 K C 0.619 177.114 176.600 -0.175 0.000 1.033 210 K CA 0.271 56.447 56.287 -0.185 0.000 1.004 210 K CB -0.177 32.240 32.500 -0.139 0.000 0.798 210 K HN 0.459 nan 8.250 nan 0.000 0.495 211 A N 1.504 124.193 122.820 -0.218 0.000 2.450 211 A HA 0.032 4.352 4.320 0.000 0.000 0.255 211 A C 0.625 178.100 177.584 -0.182 0.000 1.096 211 A CA -0.147 51.773 52.037 -0.195 0.000 0.778 211 A CB 0.355 19.241 19.000 -0.189 0.000 1.031 211 A HN 0.227 nan 8.150 nan 0.000 0.494 212 E N 1.202 121.273 120.200 -0.214 0.000 2.170 212 E HA -0.037 4.313 4.350 0.000 0.000 0.191 212 E C 0.069 176.426 176.600 -0.405 0.000 0.981 212 E CA 0.743 57.013 56.400 -0.217 0.000 0.830 212 E CB 0.137 29.725 29.700 -0.186 0.000 0.775 212 E HN 0.663 nan 8.360 nan 0.000 0.470 213 R N 0.928 121.021 120.500 -0.678 0.000 2.655 213 R HA 0.211 4.551 4.340 0.000 0.000 0.261 213 R C -2.684 173.031 176.300 -0.974 0.000 1.624 213 R CA -1.322 53.807 56.100 -1.617 0.000 1.655 213 R CB 1.419 30.500 30.300 -2.032 0.000 1.356 213 R HN 0.023 nan 8.270 nan 0.000 0.684 214 P HA 0.173 nan 4.420 nan 0.000 0.278 214 P C -0.881 176.592 177.300 0.288 0.000 1.238 214 P CA -0.475 62.624 63.100 -0.002 0.000 0.794 214 P CB 1.441 33.215 31.700 0.124 0.000 0.955 215 L N 3.318 124.684 121.223 0.239 0.000 2.455 215 L HA 0.520 4.860 4.340 0.000 0.000 0.264 215 L C -1.005 176.019 176.870 0.256 0.000 0.968 215 L CA -0.829 54.191 54.840 0.301 0.000 0.827 215 L CB 1.785 44.010 42.059 0.276 0.000 1.317 215 L HN 0.245 nan 8.230 nan 0.000 0.407 216 I N 5.194 125.935 120.570 0.285 0.000 2.359 216 I HA 0.416 4.586 4.170 0.000 0.000 0.294 216 I C -0.552 175.716 176.117 0.252 0.000 0.987 216 I CA -0.366 61.096 61.300 0.270 0.000 1.225 216 I CB 1.403 39.580 38.000 0.295 0.000 1.366 216 I HN 0.487 nan 8.210 nan 0.000 0.466 217 I N 7.246 127.945 120.570 0.215 0.000 2.354 217 I HA 0.328 4.498 4.170 0.000 0.000 0.292 217 I C -0.592 175.617 176.117 0.153 0.000 0.989 217 I CA -0.548 60.864 61.300 0.187 0.000 1.188 217 I CB 1.248 39.363 38.000 0.192 0.000 1.342 217 I HN 0.279 nan 8.210 nan 0.000 0.457 218 L N 6.232 127.547 121.223 0.153 0.000 2.265 218 L HA 0.581 4.921 4.340 0.000 0.000 0.289 218 L C 0.694 177.619 176.870 0.092 0.000 1.033 218 L CA -0.351 54.555 54.840 0.110 0.000 0.814 218 L CB 1.176 43.297 42.059 0.104 0.000 1.203 218 L HN 0.685 nan 8.230 nan 0.000 0.423 219 G N 1.739 110.586 108.800 0.077 0.000 2.557 219 G HA2 0.294 4.254 3.960 0.000 0.000 0.302 219 G HA3 0.294 4.254 3.960 0.000 0.000 0.302 219 G C 0.524 175.489 174.900 0.108 0.000 1.311 219 G CA -0.523 44.617 45.100 0.067 0.000 1.030 219 G HN 0.629 nan 8.290 nan 0.000 0.509 220 K N -0.365 120.106 120.400 0.119 0.000 2.152 220 K HA -0.100 4.220 4.320 0.000 0.000 0.206 220 K C 2.520 179.308 176.600 0.314 0.000 1.048 220 K CA 1.214 57.644 56.287 0.239 0.000 0.933 220 K CB -0.291 32.320 32.500 0.186 0.000 0.721 220 K HN 0.464 nan 8.250 nan 0.000 0.447 221 G N 1.621 110.535 108.800 0.190 0.000 2.422 221 G HA2 -0.265 3.695 3.960 0.000 0.000 0.218 221 G HA3 -0.265 3.695 3.960 0.000 0.000 0.218 221 G C 1.680 176.692 174.900 0.186 0.000 1.146 221 G CA 1.003 46.214 45.100 0.185 0.000 0.769 221 G HN 0.361 nan 8.290 nan 0.000 0.547 222 A N 1.264 124.161 122.820 0.128 0.000 1.877 222 A HA 0.255 4.576 4.320 0.000 0.000 0.216 222 A C 2.853 180.484 177.584 0.080 0.000 1.186 222 A CA 2.361 54.445 52.037 0.077 0.000 0.620 222 A CB -0.922 18.109 19.000 0.052 0.000 0.822 222 A HN 0.809 nan 8.150 nan 0.000 0.443 223 A N -1.503 121.399 122.820 0.137 0.000 1.883 223 A HA -0.161 4.159 4.320 0.000 0.000 0.217 223 A C 2.187 179.778 177.584 0.013 0.000 1.186 223 A CA 1.755 53.860 52.037 0.114 0.000 0.624 223 A CB -0.890 18.272 19.000 0.270 0.000 0.822 223 A HN 0.809 nan 8.150 nan 0.000 0.444 224 Y N 1.614 121.926 120.300 0.019 0.000 2.293 224 Y HA -0.179 4.371 4.550 0.000 0.000 0.291 224 Y C 2.731 178.564 175.900 -0.111 0.000 1.137 224 Y CA 1.744 59.772 58.100 -0.122 0.000 1.202 224 Y CB -0.257 38.277 38.460 0.124 0.000 0.990 224 Y HN 0.424 nan 8.280 nan 0.000 0.537 225 S N -0.151 115.548 115.700 -0.002 0.000 2.442 225 S HA -0.258 4.212 4.470 0.000 0.000 0.236 225 S C 1.117 175.620 174.600 -0.162 0.000 1.007 225 S CA 1.165 59.332 58.200 -0.055 0.000 0.965 225 S CB -0.522 62.695 63.200 0.029 0.000 0.773 225 S HN 0.719 nan 8.310 nan 0.000 0.504 226 Q N -0.879 118.808 119.800 -0.189 0.000 2.468 226 Q HA -0.213 4.127 4.340 0.000 0.000 0.256 226 Q C 0.513 176.447 176.000 -0.110 0.000 0.984 226 Q CA 0.585 56.284 55.803 -0.172 0.000 1.110 226 Q CB -2.194 26.416 28.738 -0.213 0.000 1.527 226 Q HN 0.842 nan 8.270 nan 0.000 0.535 227 A N 0.445 123.214 122.820 -0.085 0.000 2.929 227 A HA 0.091 4.411 4.320 0.000 0.000 0.279 227 A C 0.979 178.523 177.584 -0.067 0.000 1.418 227 A CA 0.009 52.007 52.037 -0.067 0.000 1.035 227 A CB 0.094 19.060 19.000 -0.056 0.000 1.047 227 A HN 0.291 nan 8.150 nan 0.000 0.609 228 D N 0.475 120.831 120.400 -0.072 0.000 2.149 228 D HA -0.172 4.469 4.640 0.000 0.000 0.198 228 D C 1.363 177.624 176.300 -0.066 0.000 0.990 228 D CA 1.183 55.139 54.000 -0.073 0.000 0.839 228 D CB 0.108 40.866 40.800 -0.070 0.000 0.948 228 D HN 0.443 nan 8.370 nan 0.000 0.460 229 E N 0.773 120.943 120.200 -0.050 0.000 2.051 229 E HA -0.097 4.253 4.350 0.000 0.000 0.189 229 E C 2.255 178.840 176.600 -0.025 0.000 0.979 229 E CA 0.623 57.003 56.400 -0.035 0.000 0.803 229 E CB -0.258 29.427 29.700 -0.025 0.000 0.761 229 E HN 0.328 nan 8.360 nan 0.000 0.451 230 Q N 0.679 120.464 119.800 -0.024 0.000 2.096 230 Q HA -0.105 4.235 4.340 0.000 0.000 0.204 230 Q C 2.392 178.393 176.000 0.002 0.000 0.982 230 Q CA 1.125 56.924 55.803 -0.006 0.000 0.850 230 Q CB -0.380 28.346 28.738 -0.020 0.000 0.901 230 Q HN 0.220 nan 8.270 nan 0.000 0.422 231 L N -0.098 121.100 121.223 -0.042 0.000 2.056 231 L HA -0.163 4.177 4.340 0.000 0.000 0.207 231 L C 2.615 179.445 176.870 -0.066 0.000 1.078 231 L CA 1.315 56.120 54.840 -0.058 0.000 0.749 231 L CB -0.380 41.612 42.059 -0.112 0.000 0.901 231 L HN 0.178 nan 8.230 nan 0.000 0.433 232 R N 0.463 120.901 120.500 -0.103 0.000 2.070 232 R HA -0.242 4.098 4.340 0.000 0.000 0.233 232 R C 2.273 178.545 176.300 -0.047 0.000 1.137 232 R CA 2.033 58.056 56.100 -0.128 0.000 0.945 232 R CB -0.242 30.006 30.300 -0.087 0.000 0.845 232 R HN 0.348 nan 8.270 nan 0.000 0.430 233 E N -0.575 119.623 120.200 -0.003 0.000 2.070 233 E HA -0.261 4.089 4.350 0.000 0.000 0.197 233 E C 1.772 178.397 176.600 0.040 0.000 1.004 233 E CA 1.704 58.115 56.400 0.019 0.000 0.805 233 E CB -0.259 29.459 29.700 0.030 0.000 0.744 233 E HN 0.397 nan 8.360 nan 0.000 0.451 234 F N 0.766 120.674 119.950 -0.070 0.000 2.102 234 F HA -0.139 4.388 4.527 0.000 0.000 0.298 234 F C 2.045 177.801 175.800 -0.074 0.000 1.105 234 F CA 1.487 59.449 58.000 -0.064 0.000 1.239 234 F CB -0.127 38.848 39.000 -0.042 0.000 0.991 234 F HN 0.023 nan 8.300 nan 0.000 0.474 235 I N 0.171 120.791 120.570 0.082 0.000 2.226 235 I HA -0.286 3.884 4.170 0.000 0.000 0.245 235 I C 2.237 178.327 176.117 -0.045 0.000 1.100 235 I CA 1.704 63.007 61.300 0.004 0.000 1.374 235 I CB -0.427 37.494 38.000 -0.132 0.000 1.057 235 I HN 0.203 nan 8.210 nan 0.000 0.413 236 E N -0.011 120.166 120.200 -0.038 0.000 2.107 236 E HA -0.136 4.214 4.350 0.000 0.000 0.191 236 E C 2.320 178.874 176.600 -0.077 0.000 0.982 236 E CA 1.226 57.628 56.400 0.002 0.000 0.809 236 E CB -0.009 29.719 29.700 0.046 0.000 0.756 236 E HN 0.373 nan 8.360 nan 0.000 0.459 237 S N 0.758 116.364 115.700 -0.156 0.000 2.355 237 S HA -0.109 4.361 4.470 0.000 0.000 0.222 237 S C 1.958 176.369 174.600 -0.316 0.000 1.031 237 S CA 1.155 59.224 58.200 -0.218 0.000 0.993 237 S CB 0.012 63.060 63.200 -0.254 0.000 0.859 237 S HN 0.340 nan 8.310 nan 0.000 0.453 238 A N 0.190 122.727 122.820 -0.472 0.000 2.275 238 A HA 0.203 4.523 4.320 0.000 0.000 0.212 238 A C 0.301 177.727 177.584 -0.264 0.000 1.201 238 A CA -0.032 51.637 52.037 -0.613 0.000 0.843 238 A CB -0.032 18.241 19.000 -1.211 0.000 0.873 238 A HN 0.286 nan 8.150 nan 0.000 0.492 239 Q N -0.550 119.173 119.800 -0.129 0.000 2.452 239 Q HA -0.186 4.154 4.340 0.000 0.000 0.318 239 Q C -0.627 175.429 176.000 0.092 0.000 1.386 239 Q CA 0.977 56.786 55.803 0.011 0.000 0.872 239 Q CB -2.007 26.743 28.738 0.020 0.000 1.151 239 Q HN 0.766 nan 8.270 nan 0.000 0.417 240 I N 0.990 121.626 120.570 0.110 0.000 2.315 240 I HA 0.235 4.406 4.170 0.000 0.000 0.291 240 I C -1.887 174.403 176.117 0.288 0.000 1.006 240 I CA -2.179 59.256 61.300 0.226 0.000 1.265 240 I CB 1.057 39.205 38.000 0.247 0.000 1.387 240 I HN -0.144 nan 8.210 nan 0.000 0.475 241 P HA 0.073 nan 4.420 nan 0.000 0.268 241 P C -0.946 176.520 177.300 0.278 0.000 1.204 241 P CA 0.145 63.362 63.100 0.194 0.000 0.768 241 P CB 0.274 32.005 31.700 0.051 0.000 0.842 242 F N 1.525 121.513 119.950 0.063 0.000 2.577 242 F HA 0.723 5.251 4.527 0.000 0.000 0.318 242 F C -1.692 174.125 175.800 0.029 0.000 1.065 242 F CA -1.552 56.482 58.000 0.058 0.000 0.929 242 F CB 1.056 40.078 39.000 0.036 0.000 1.237 242 F HN -0.013 nan 8.300 nan 0.000 0.468 243 L N 3.521 124.771 121.223 0.045 0.000 2.333 243 L HA 0.546 4.886 4.340 0.000 0.000 0.280 243 L C -2.570 174.385 176.870 0.141 0.000 1.004 243 L CA -2.031 52.793 54.840 -0.026 0.000 0.820 243 L CB 2.357 44.404 42.059 -0.020 0.000 1.247 243 L HN 0.442 nan 8.230 nan 0.000 0.416 244 P HA 0.259 nan 4.420 nan 0.000 0.293 244 P C -0.581 176.752 177.300 0.055 0.000 1.300 244 P CA -0.617 62.570 63.100 0.145 0.000 0.792 244 P CB 0.982 32.778 31.700 0.160 0.000 0.925 245 M N 1.514 121.143 119.600 0.048 0.000 2.157 245 M HA 0.052 4.532 4.480 0.000 0.000 0.304 245 M C 2.086 178.385 176.300 -0.001 0.000 1.171 245 M CA 0.116 55.417 55.300 0.002 0.000 1.157 245 M CB -0.467 32.127 32.600 -0.010 0.000 1.403 245 M HN 0.426 nan 8.290 nan 0.000 0.473 246 S N 1.002 116.683 115.700 -0.032 0.000 2.393 246 S HA -0.196 4.274 4.470 0.000 0.000 0.235 246 S C 1.457 176.055 174.600 -0.003 0.000 1.061 246 S CA 1.948 60.131 58.200 -0.028 0.000 1.129 246 S CB -0.064 63.109 63.200 -0.046 0.000 1.011 246 S HN 0.640 nan 8.310 nan 0.000 0.436 247 M N 0.298 119.903 119.600 0.008 0.000 2.494 247 M HA 0.283 4.763 4.480 0.000 0.000 0.232 247 M C 1.583 177.958 176.300 0.125 0.000 1.137 247 M CA 0.383 55.707 55.300 0.039 0.000 1.012 247 M CB 0.211 32.776 32.600 -0.057 0.000 1.567 247 M HN 0.455 nan 8.290 nan 0.000 0.486 248 A N 0.237 123.115 122.820 0.096 0.000 2.238 248 A HA 0.133 4.453 4.320 0.000 0.000 0.210 248 A C 0.618 178.248 177.584 0.077 0.000 1.179 248 A CA -0.080 52.019 52.037 0.104 0.000 0.827 248 A CB -0.054 19.007 19.000 0.101 0.000 0.856 248 A HN 0.292 nan 8.150 nan 0.000 0.488 249 K N -0.159 120.273 120.400 0.053 0.000 2.491 249 K HA 0.274 4.594 4.320 0.000 0.000 0.279 249 K C 1.196 177.799 176.600 0.005 0.000 1.026 249 K CA 0.931 57.234 56.287 0.027 0.000 1.070 249 K CB 0.025 32.516 32.500 -0.015 0.000 0.887 249 K HN 0.606 nan 8.250 nan 0.000 0.481 250 G N 2.454 111.256 108.800 0.003 0.000 2.213 250 G HA2 -0.285 3.675 3.960 0.000 0.000 0.236 250 G HA3 -0.285 3.675 3.960 0.000 0.000 0.236 250 G C 0.921 175.816 174.900 -0.009 0.000 0.991 250 G CA 0.178 45.266 45.100 -0.020 0.000 0.629 250 G HN 0.587 nan 8.290 nan 0.000 0.517 251 I N 0.068 120.634 120.570 -0.008 0.000 2.118 251 I HA -0.047 4.123 4.170 0.000 0.000 0.241 251 I C 1.158 177.232 176.117 -0.071 0.000 1.070 251 I CA 1.173 62.446 61.300 -0.046 0.000 1.327 251 I CB -0.227 37.735 38.000 -0.063 0.000 1.034 251 I HN 0.139 nan 8.210 nan 0.000 0.405 252 L N 0.959 122.124 121.223 -0.096 0.000 2.325 252 L HA 0.198 4.538 4.340 0.000 0.000 0.278 252 L C 0.345 177.263 176.870 0.080 0.000 1.023 252 L CA -0.630 54.168 54.840 -0.070 0.000 0.811 252 L CB 0.728 42.592 42.059 -0.324 0.000 1.249 252 L HN 0.133 nan 8.230 nan 0.000 0.431 253 E N 1.464 121.747 120.200 0.138 0.000 2.437 253 E HA -0.100 4.250 4.350 0.000 0.000 0.263 253 E C -0.357 176.337 176.600 0.157 0.000 1.030 253 E CA -0.033 56.448 56.400 0.135 0.000 0.934 253 E CB 0.565 30.381 29.700 0.192 0.000 0.943 253 E HN 0.516 nan 8.360 nan 0.000 0.444 254 D N 1.826 122.247 120.400 0.035 0.000 2.310 254 D HA -0.102 4.538 4.640 0.000 0.000 0.212 254 D C 1.395 177.733 176.300 0.063 0.000 0.965 254 D CA 1.898 55.916 54.000 0.030 0.000 0.879 254 D CB -0.031 40.724 40.800 -0.075 0.000 0.921 254 D HN 0.712 nan 8.370 nan 0.000 0.510 255 T N -2.368 112.245 114.554 0.098 0.000 3.107 255 T HA -0.064 4.287 4.350 0.000 0.000 0.249 255 T C 0.956 175.728 174.700 0.120 0.000 1.096 255 T CA -0.413 61.743 62.100 0.095 0.000 1.012 255 T CB -0.129 68.803 68.868 0.106 0.000 0.977 255 T HN 0.120 nan 8.240 nan 0.000 0.527 256 H N 3.182 122.311 119.070 0.099 0.000 3.092 256 H HA 0.031 4.587 4.556 0.000 0.000 0.332 256 H C -1.646 173.731 175.328 0.082 0.000 1.029 256 H CA -0.893 55.234 56.048 0.131 0.000 1.376 256 H CB 1.256 31.174 29.762 0.260 0.000 1.329 256 H HN 0.046 nan 8.280 nan 0.000 0.598 257 P HA -0.081 nan 4.420 nan 0.000 0.218 257 P C 1.545 178.924 177.300 0.132 0.000 1.149 257 P CA 0.952 64.049 63.100 -0.006 0.000 0.817 257 P CB 0.213 31.849 31.700 -0.107 0.000 0.785 258 L N -1.288 120.209 121.223 0.457 0.000 2.599 258 L HA 0.079 4.419 4.340 0.000 0.000 0.230 258 L C 1.103 177.919 176.870 -0.090 0.000 1.141 258 L CA -0.009 55.015 54.840 0.307 0.000 0.877 258 L CB -0.393 41.948 42.059 0.471 0.000 1.009 258 L HN -0.065 nan 8.230 nan 0.000 0.447 259 S N 0.391 115.925 115.700 -0.277 0.000 2.488 259 S HA 0.309 4.779 4.470 0.000 0.000 0.278 259 S C 0.994 175.329 174.600 -0.441 0.000 1.259 259 S CA -0.108 57.597 58.200 -0.825 0.000 1.061 259 S CB 1.327 64.220 63.200 -0.512 0.000 0.910 259 S HN 0.292 nan 8.310 nan 0.000 0.491 260 A N 4.738 127.285 122.820 -0.454 0.000 2.345 260 A HA 0.536 4.856 4.320 0.000 0.000 0.225 260 A C 2.001 179.465 177.584 -0.201 0.000 1.243 260 A CA 0.531 52.409 52.037 -0.266 0.000 0.875 260 A CB -0.698 18.169 19.000 -0.222 0.000 0.929 260 A HN 1.156 nan 8.150 nan 0.000 0.502 261 A N 0.260 122.948 122.820 -0.219 0.000 1.948 261 A HA 0.022 4.342 4.320 0.000 0.000 0.220 261 A C 2.242 179.771 177.584 -0.091 0.000 1.177 261 A CA 1.928 53.882 52.037 -0.139 0.000 0.636 261 A CB -0.636 18.288 19.000 -0.127 0.000 0.815 261 A HN 1.138 nan 8.150 nan 0.000 0.449 262 A N -1.646 121.123 122.820 -0.085 0.000 2.206 262 A HA 0.497 4.817 4.320 0.000 0.000 0.211 262 A C 1.354 178.915 177.584 -0.039 0.000 1.158 262 A CA 1.210 53.217 52.037 -0.050 0.000 0.761 262 A CB -0.377 18.596 19.000 -0.045 0.000 0.801 262 A HN 1.305 nan 8.150 nan 0.000 0.473 263 A N -0.772 122.016 122.820 -0.052 0.000 2.992 263 A HA 0.416 4.736 4.320 0.000 0.000 0.263 263 A C 1.229 178.801 177.584 -0.020 0.000 0.928 263 A CA -0.038 51.989 52.037 -0.017 0.000 1.061 263 A CB -0.253 18.735 19.000 -0.020 0.000 1.173 263 A HN 0.339 nan 8.150 nan 0.000 0.482 264 R N 0.172 120.641 120.500 -0.052 0.000 2.083 264 R HA -0.133 4.208 4.340 0.000 0.000 0.237 264 R C 1.621 177.854 176.300 -0.112 0.000 1.137 264 R CA 2.317 58.364 56.100 -0.089 0.000 0.951 264 R CB -0.095 30.151 30.300 -0.090 0.000 0.851 264 R HN 0.485 nan 8.270 nan 0.000 0.434 265 S N 0.371 116.027 115.700 -0.073 0.000 2.356 265 S HA -0.162 4.308 4.470 0.000 0.000 0.223 265 S C 1.471 176.008 174.600 -0.106 0.000 1.032 265 S CA 1.451 59.595 58.200 -0.092 0.000 1.005 265 S CB -0.446 62.737 63.200 -0.028 0.000 0.867 265 S HN 0.417 nan 8.310 nan 0.000 0.449 266 F N 2.553 122.394 119.950 -0.183 0.000 2.102 266 F HA -0.098 4.429 4.527 0.000 0.000 0.298 266 F C 2.351 178.056 175.800 -0.158 0.000 1.105 266 F CA 1.104 58.965 58.000 -0.231 0.000 1.239 266 F CB -0.737 37.989 39.000 -0.457 0.000 0.991 266 F HN 0.172 nan 8.300 nan 0.000 0.474 267 A N 0.753 123.539 122.820 -0.056 0.000 1.908 267 A HA -0.172 4.148 4.320 0.000 0.000 0.218 267 A C 2.299 179.802 177.584 -0.136 0.000 1.181 267 A CA 2.035 54.055 52.037 -0.029 0.000 0.627 267 A CB -1.219 17.762 19.000 -0.031 0.000 0.818 267 A HN 0.522 nan 8.150 nan 0.000 0.445 268 L N -1.124 119.901 121.223 -0.330 0.000 2.072 268 L HA -0.110 4.230 4.340 0.000 0.000 0.205 268 L C 3.057 179.628 176.870 -0.498 0.000 1.079 268 L CA 0.880 55.348 54.840 -0.620 0.000 0.752 268 L CB -0.574 40.895 42.059 -0.985 0.000 0.906 268 L HN 0.428 nan 8.230 nan 0.000 0.436 269 A N 0.405 122.993 122.820 -0.387 0.000 2.024 269 A HA -0.208 4.112 4.320 0.000 0.000 0.220 269 A C 1.757 179.175 177.584 -0.277 0.000 1.164 269 A CA 2.243 54.113 52.037 -0.279 0.000 0.643 269 A CB -0.537 18.309 19.000 -0.256 0.000 0.806 269 A HN 0.551 nan 8.150 nan 0.000 0.451 270 N N -1.359 117.124 118.700 -0.361 0.000 2.210 270 N HA 0.364 5.104 4.740 0.000 0.000 0.203 270 N C 0.390 175.715 175.510 -0.309 0.000 1.175 270 N CA 0.444 53.296 53.050 -0.330 0.000 0.894 270 N CB 0.302 38.493 38.487 -0.493 0.000 1.041 270 N HN 0.395 nan 8.380 nan 0.000 0.506 271 A N 1.161 123.854 122.820 -0.211 0.000 2.462 271 A HA 0.094 4.414 4.320 0.000 0.000 0.243 271 A C 0.634 178.040 177.584 -0.298 0.000 1.076 271 A CA 0.085 51.942 52.037 -0.300 0.000 0.773 271 A CB 0.225 19.204 19.000 -0.036 0.000 1.010 271 A HN 0.362 nan 8.150 nan 0.000 0.493 272 D N 0.455 120.635 120.400 -0.366 0.000 2.388 272 D HA 0.094 4.734 4.640 0.000 0.000 0.208 272 D C -0.093 176.064 176.300 -0.237 0.000 1.035 272 D CA 0.367 54.204 54.000 -0.271 0.000 0.875 272 D CB 0.052 40.690 40.800 -0.270 0.000 0.984 272 D HN 0.162 nan 8.370 nan 0.000 0.508 273 V N 1.433 121.216 119.914 -0.219 0.000 2.482 273 V HA 0.370 4.490 4.120 0.000 0.000 0.295 273 V C -0.658 175.383 176.094 -0.088 0.000 1.026 273 V CA -0.897 61.305 62.300 -0.164 0.000 0.856 273 V CB 2.329 34.080 31.823 -0.121 0.000 1.001 273 V HN -0.065 nan 8.190 nan 0.000 0.424 274 V N 5.959 125.812 119.914 -0.101 0.000 2.495 274 V HA 0.526 4.646 4.120 0.000 0.000 0.298 274 V C -0.115 176.097 176.094 0.197 0.000 1.031 274 V CA -0.497 61.856 62.300 0.089 0.000 0.871 274 V CB 1.831 33.781 31.823 0.212 0.000 0.988 274 V HN 0.919 nan 8.190 nan 0.000 0.432 275 M N 6.491 126.220 119.600 0.215 0.000 2.044 275 M HA 0.545 5.026 4.480 0.000 0.000 0.333 275 M C -1.479 174.938 176.300 0.196 0.000 1.004 275 M CA -0.439 54.979 55.300 0.196 0.000 0.954 275 M CB 0.651 33.359 32.600 0.180 0.000 1.468 275 M HN 0.532 nan 8.290 nan 0.000 0.414 276 L N 5.689 127.027 121.223 0.193 0.000 2.313 276 L HA 0.392 4.732 4.340 0.000 0.000 0.282 276 L C -0.696 176.223 176.870 0.081 0.000 1.092 276 L CA -0.691 54.235 54.840 0.143 0.000 0.831 276 L CB 1.001 43.127 42.059 0.111 0.000 1.159 276 L HN 0.447 nan 8.230 nan 0.000 0.442 277 V N 2.835 122.790 119.914 0.069 0.000 2.304 277 V HA 0.354 4.474 4.120 0.000 0.000 0.278 277 V C 0.869 176.986 176.094 0.039 0.000 1.018 277 V CA -0.346 61.974 62.300 0.034 0.000 0.814 277 V CB 0.984 32.815 31.823 0.014 0.000 1.021 277 V HN 1.025 nan 8.190 nan 0.000 0.440 278 G N 4.268 113.085 108.800 0.030 0.000 2.366 278 G HA2 0.028 3.989 3.960 0.000 0.000 0.299 278 G HA3 0.028 3.989 3.960 0.000 0.000 0.299 278 G C 0.158 175.078 174.900 0.034 0.000 1.020 278 G CA 0.482 45.603 45.100 0.036 0.000 1.026 278 G HN 1.584 nan 8.290 nan 0.000 0.512 279 A N 0.037 122.869 122.820 0.020 0.000 2.381 279 A HA 0.825 5.145 4.320 0.000 0.000 0.299 279 A C 0.192 177.761 177.584 -0.025 0.000 1.049 279 A CA -0.705 51.336 52.037 0.008 0.000 0.715 279 A CB 1.165 20.188 19.000 0.038 0.000 1.222 279 A HN 0.478 nan 8.150 nan 0.000 0.428 280 R N 1.482 121.949 120.500 -0.055 0.000 2.410 280 R HA 0.362 4.702 4.340 0.000 0.000 0.288 280 R C -0.378 175.852 176.300 -0.118 0.000 1.051 280 R CA -0.461 55.588 56.100 -0.085 0.000 1.021 280 R CB 0.894 31.146 30.300 -0.080 0.000 1.032 280 R HN 0.683 nan 8.270 nan 0.000 0.481 281 L N 4.652 125.773 121.223 -0.170 0.000 2.650 281 L HA 0.001 4.341 4.340 0.000 0.000 0.239 281 L C 0.285 177.037 176.870 -0.197 0.000 1.412 281 L CA -0.395 54.308 54.840 -0.229 0.000 1.219 281 L CB -1.467 40.356 42.059 -0.393 0.000 1.534 281 L HN 0.652 nan 8.230 nan 0.000 0.430 282 N N -0.780 117.797 118.700 -0.205 0.000 2.514 282 N HA 0.010 4.750 4.740 0.000 0.000 0.299 282 N C 1.068 176.221 175.510 -0.595 0.000 1.292 282 N CA -0.658 52.261 53.050 -0.219 0.000 0.963 282 N CB -0.068 38.409 38.487 -0.016 0.000 1.124 282 N HN 0.285 nan 8.380 nan 0.000 0.580 283 W N -0.875 120.060 121.300 -0.607 0.000 2.387 283 W HA -0.041 4.619 4.660 0.000 0.000 0.272 283 W C 0.634 177.028 176.519 -0.208 0.000 1.224 283 W CA 0.309 57.367 57.345 -0.479 0.000 1.210 283 W CB -1.252 28.169 29.460 -0.065 0.000 1.125 283 W HN 0.315 nan 8.180 nan 0.000 0.572 284 L N 0.701 121.336 121.223 -0.980 0.000 2.465 284 L HA -0.007 4.333 4.340 0.000 0.000 0.224 284 L C 1.683 178.330 176.870 -0.372 0.000 1.145 284 L CA 0.747 55.031 54.840 -0.926 0.000 0.834 284 L CB -0.343 41.200 42.059 -0.859 0.000 0.944 284 L HN -0.061 nan 8.230 nan 0.000 0.451 285 L N -0.484 120.617 121.223 -0.204 0.000 3.289 285 L HA 0.351 4.691 4.340 0.000 0.000 0.291 285 L C 1.043 178.044 176.870 0.218 0.000 1.279 285 L CA -0.314 54.596 54.840 0.116 0.000 1.025 285 L CB 0.431 42.631 42.059 0.235 0.000 1.413 285 L HN 0.115 nan 8.230 nan 0.000 0.593 286 A N 0.180 123.030 122.820 0.050 0.000 2.744 286 A HA -0.296 4.024 4.320 0.000 0.000 0.300 286 A C 0.937 178.579 177.584 0.096 0.000 1.512 286 A CA 1.352 53.470 52.037 0.135 0.000 0.851 286 A CB -2.015 17.157 19.000 0.286 0.000 0.987 286 A HN 0.818 nan 8.150 nan 0.000 0.507 287 H N -3.511 115.554 119.070 -0.007 0.000 3.179 287 H HA -0.246 4.310 4.556 0.000 0.000 0.250 287 H C 1.747 176.858 175.328 -0.361 0.000 1.142 287 H CA 1.816 57.782 56.048 -0.137 0.000 1.165 287 H CB -1.740 27.986 29.762 -0.060 0.000 1.253 287 H HN 2.419 nan 8.280 nan 0.000 0.325 288 G N -0.174 108.277 108.800 -0.581 0.000 2.160 288 G HA2 -0.363 3.597 3.960 0.000 0.000 0.251 288 G HA3 -0.363 3.597 3.960 0.000 0.000 0.251 288 G C 0.799 175.246 174.900 -0.755 0.000 1.008 288 G CA 1.364 45.642 45.100 -1.370 0.000 0.724 288 G HN 0.568 nan 8.290 nan 0.000 0.514 289 K N -0.482 119.757 120.400 -0.268 0.000 3.233 289 K HA 0.324 4.644 4.320 0.000 0.000 0.241 289 K C 1.147 177.881 176.600 0.223 0.000 1.172 289 K CA -0.217 56.076 56.287 0.010 0.000 1.272 289 K CB 0.288 32.810 32.500 0.037 0.000 1.914 289 K HN 0.118 nan 8.250 nan 0.000 0.454 290 K N 0.652 121.189 120.400 0.229 0.000 2.472 290 K HA -0.008 4.312 4.320 0.000 0.000 0.280 290 K C 0.263 177.058 176.600 0.325 0.000 1.028 290 K CA 1.114 57.540 56.287 0.232 0.000 1.045 290 K CB 0.262 32.862 32.500 0.167 0.000 0.902 290 K HN 0.621 nan 8.250 nan 0.000 0.478 291 G N 3.060 111.989 108.800 0.214 0.000 2.159 291 G HA2 -0.228 3.733 3.960 0.000 0.000 0.256 291 G HA3 -0.228 3.733 3.960 0.000 0.000 0.256 291 G C -0.817 174.103 174.900 0.033 0.000 0.977 291 G CA 0.189 45.345 45.100 0.095 0.000 0.652 291 G HN 0.589 nan 8.290 nan 0.000 0.531 292 W N 0.089 121.396 121.300 0.013 0.000 2.719 292 W HA 0.819 5.479 4.660 0.001 0.000 0.352 292 W C 0.451 176.958 176.519 -0.020 0.000 1.085 292 W CA -0.637 56.709 57.345 0.003 0.000 1.187 292 W CB 1.146 30.641 29.460 0.057 0.000 1.417 292 W HN 0.526 nan 8.180 nan 0.000 0.557 293 A N 1.055 124.005 122.820 0.216 0.000 2.445 293 A HA 0.474 4.794 4.320 0.000 0.000 0.242 293 A C 1.244 178.887 177.584 0.099 0.000 1.075 293 A CA 0.423 52.511 52.037 0.085 0.000 0.777 293 A CB 0.249 19.245 19.000 -0.006 0.000 1.013 293 A HN 1.059 nan 8.150 nan 0.000 0.493 294 A N 1.270 124.120 122.820 0.051 0.000 2.070 294 A HA -0.042 4.278 4.320 0.000 0.000 0.220 294 A C 0.877 178.475 177.584 0.023 0.000 1.159 294 A CA 1.889 53.951 52.037 0.042 0.000 0.656 294 A CB -0.404 18.610 19.000 0.022 0.000 0.800 294 A HN 0.848 nan 8.150 nan 0.000 0.453 295 D N -2.185 118.214 120.400 -0.001 0.000 2.540 295 D HA 0.134 4.774 4.640 0.000 0.000 0.229 295 D C -0.046 176.206 176.300 -0.079 0.000 1.250 295 D CA -0.003 53.979 54.000 -0.031 0.000 0.817 295 D CB -1.062 39.715 40.800 -0.039 0.000 1.060 295 D HN 0.066 nan 8.370 nan 0.000 0.508 296 T N 0.936 115.427 114.554 -0.105 0.000 2.933 296 T HA 0.057 4.407 4.350 0.000 0.000 0.306 296 T C 0.247 174.720 174.700 -0.377 0.000 1.045 296 T CA 0.157 62.094 62.100 -0.273 0.000 1.143 296 T CB 0.832 69.476 68.868 -0.373 0.000 1.003 296 T HN 0.117 nan 8.240 nan 0.000 0.540 297 Q N 1.022 120.598 119.800 -0.374 0.000 2.274 297 Q HA 0.533 4.873 4.340 0.000 0.000 0.260 297 Q C -1.055 174.712 176.000 -0.388 0.000 0.974 297 Q CA -0.533 55.112 55.803 -0.264 0.000 0.876 297 Q CB 1.273 29.933 28.738 -0.130 0.000 1.297 297 Q HN 0.558 nan 8.270 nan 0.000 0.446 298 F N 1.695 121.643 119.950 -0.002 0.000 2.469 298 F HA 0.496 5.023 4.527 0.000 0.000 0.332 298 F C -0.063 175.742 175.800 0.009 0.000 1.103 298 F CA -0.687 57.319 58.000 0.009 0.000 0.979 298 F CB 1.016 40.003 39.000 -0.022 0.000 1.137 298 F HN 0.301 nan 8.300 nan 0.000 0.463 299 I N 2.462 123.156 120.570 0.207 0.000 2.392 299 I HA 0.388 4.558 4.170 0.000 0.000 0.295 299 I C -0.626 175.580 176.117 0.148 0.000 0.985 299 I CA -0.582 60.801 61.300 0.139 0.000 1.221 299 I CB 1.810 39.871 38.000 0.102 0.000 1.366 299 I HN 0.536 nan 8.210 nan 0.000 0.467 300 Q N 5.686 125.537 119.800 0.085 0.000 2.275 300 Q HA 0.445 4.785 4.340 0.000 0.000 0.266 300 Q C -1.852 174.160 176.000 0.020 0.000 1.002 300 Q CA -0.827 55.006 55.803 0.050 0.000 0.761 300 Q CB 1.826 30.573 28.738 0.014 0.000 1.255 300 Q HN 0.499 nan 8.270 nan 0.000 0.446 301 L N 4.132 125.362 121.223 0.012 0.000 2.268 301 L HA 0.468 4.808 4.340 0.000 0.000 0.289 301 L C -0.462 176.407 176.870 -0.002 0.000 1.064 301 L CA 0.423 55.260 54.840 -0.005 0.000 0.824 301 L CB 1.101 43.144 42.059 -0.026 0.000 1.202 301 L HN 0.538 nan 8.230 nan 0.000 0.433 302 D N 1.894 122.291 120.400 -0.004 0.000 2.859 302 D HA 0.155 4.795 4.640 0.000 0.000 0.223 302 D C 0.559 176.857 176.300 -0.003 0.000 1.218 302 D CA -0.516 53.481 54.000 -0.005 0.000 0.850 302 D CB 2.660 43.451 40.800 -0.015 0.000 1.656 302 D HN 0.306 nan 8.370 nan 0.000 0.484 303 I N 1.950 122.521 120.570 0.002 0.000 2.830 303 I HA -0.035 4.135 4.170 0.000 0.000 0.263 303 I C 0.287 176.402 176.117 -0.003 0.000 1.230 303 I CA 1.171 62.475 61.300 0.005 0.000 1.480 303 I CB -0.044 37.966 38.000 0.017 0.000 1.095 303 I HN 0.224 nan 8.210 nan 0.000 0.455 304 E N 1.062 121.255 120.200 -0.012 0.000 2.101 304 E HA 0.329 4.679 4.350 0.000 0.000 0.260 304 E C -1.926 174.662 176.600 -0.020 0.000 0.897 304 E CA -2.953 53.436 56.400 -0.018 0.000 0.744 304 E CB 1.037 30.720 29.700 -0.028 0.000 1.140 304 E HN 0.043 nan 8.360 nan 0.000 0.419 305 P HA -0.168 nan 4.420 nan 0.000 0.221 305 P C 0.647 177.934 177.300 -0.022 0.000 1.145 305 P CA 1.090 64.180 63.100 -0.017 0.000 0.795 305 P CB 0.373 32.066 31.700 -0.012 0.000 0.775 306 Q N -0.538 119.247 119.800 -0.025 0.000 2.369 306 Q HA -0.134 4.206 4.340 0.000 0.000 0.206 306 Q C 1.898 177.877 176.000 -0.035 0.000 0.963 306 Q CA 0.737 56.523 55.803 -0.028 0.000 0.894 306 Q CB -0.249 28.472 28.738 -0.028 0.000 0.965 306 Q HN 0.193 nan 8.270 nan 0.000 0.475 307 E N 0.427 120.603 120.200 -0.039 0.000 2.347 307 E HA -0.061 4.289 4.350 0.000 0.000 0.196 307 E C 0.089 176.655 176.600 -0.057 0.000 1.008 307 E CA 0.239 56.610 56.400 -0.048 0.000 0.852 307 E CB 0.254 29.924 29.700 -0.050 0.000 0.783 307 E HN 0.112 nan 8.360 nan 0.000 0.505 308 I N 1.851 122.392 120.570 -0.049 0.000 2.529 308 I HA 0.010 4.180 4.170 0.000 0.000 0.284 308 I C 0.182 176.265 176.117 -0.057 0.000 1.082 308 I CA 0.298 61.566 61.300 -0.053 0.000 1.406 308 I CB 0.563 38.542 38.000 -0.034 0.000 1.405 308 I HN 0.094 nan 8.210 nan 0.000 0.548 309 D N 2.994 123.349 120.400 -0.074 0.000 3.012 309 D HA -0.174 4.466 4.640 0.000 0.000 0.222 309 D C 1.534 177.790 176.300 -0.073 0.000 1.167 309 D CA 1.248 55.204 54.000 -0.073 0.000 0.854 309 D CB -0.915 39.857 40.800 -0.048 0.000 1.107 309 D HN 0.759 nan 8.370 nan 0.000 0.421 310 S N -1.120 114.531 115.700 -0.081 0.000 2.402 310 S HA -0.111 4.359 4.470 0.000 0.000 0.229 310 S C 1.506 176.065 174.600 -0.068 0.000 1.021 310 S CA 1.494 59.656 58.200 -0.064 0.000 0.974 310 S CB 0.239 63.405 63.200 -0.056 0.000 0.800 310 S HN 0.398 nan 8.310 nan 0.000 0.484 311 N N -0.352 118.285 118.700 -0.105 0.000 3.166 311 N HA 0.313 5.053 4.740 0.000 0.000 0.242 311 N C -0.380 175.047 175.510 -0.138 0.000 1.017 311 N CA -0.150 52.837 53.050 -0.105 0.000 1.113 311 N CB 0.555 38.988 38.487 -0.090 0.000 1.629 311 N HN -0.003 nan 8.380 nan 0.000 0.601 312 R N 1.279 121.646 120.500 -0.223 0.000 2.604 312 R HA 0.493 4.833 4.340 0.000 0.000 0.287 312 R C -2.613 173.602 176.300 -0.141 0.000 0.970 312 R CA -2.173 53.819 56.100 -0.181 0.000 0.946 312 R CB 0.244 30.391 30.300 -0.255 0.000 1.127 312 R HN 0.145 nan 8.270 nan 0.000 0.473 313 P HA 0.119 nan 4.420 nan 0.000 0.268 313 P C -0.282 177.038 177.300 0.033 0.000 1.205 313 P CA 0.056 63.147 63.100 -0.016 0.000 0.771 313 P CB 0.535 32.239 31.700 0.006 0.000 0.858 314 I N 2.147 122.730 120.570 0.021 0.000 2.355 314 I HA 0.199 4.370 4.170 0.000 0.000 0.288 314 I C 1.442 177.601 176.117 0.069 0.000 0.999 314 I CA -0.807 60.533 61.300 0.068 0.000 1.163 314 I CB 0.718 38.722 38.000 0.006 0.000 1.316 314 I HN 0.385 nan 8.210 nan 0.000 0.454 315 A N 6.441 129.320 122.820 0.098 0.000 1.877 315 A HA -0.006 4.314 4.320 0.000 0.000 0.216 315 A C 0.978 178.587 177.584 0.041 0.000 1.186 315 A CA 1.337 53.406 52.037 0.053 0.000 0.620 315 A CB 0.049 19.072 19.000 0.038 0.000 0.822 315 A HN 0.468 nan 8.150 nan 0.000 0.443 316 V N 1.424 121.371 119.914 0.054 0.000 2.315 316 V HA 0.261 4.381 4.120 0.000 0.000 0.265 316 V C -2.862 173.255 176.094 0.039 0.000 1.019 316 V CA -1.654 60.670 62.300 0.039 0.000 0.824 316 V CB 0.997 32.841 31.823 0.035 0.000 1.072 316 V HN 0.167 nan 8.190 nan 0.000 0.448 317 P HA 0.173 nan 4.420 nan 0.000 0.268 317 P C -0.420 176.887 177.300 0.012 0.000 1.204 317 P CA 0.153 63.261 63.100 0.014 0.000 0.768 317 P CB 0.956 32.658 31.700 0.004 0.000 0.842 318 V N 4.588 124.507 119.914 0.008 0.000 2.315 318 V HA 0.118 4.238 4.120 0.000 0.000 0.265 318 V C 0.011 176.103 176.094 -0.004 0.000 1.019 318 V CA -0.646 61.655 62.300 0.001 0.000 0.824 318 V CB 1.343 33.164 31.823 -0.004 0.000 1.072 318 V HN 0.230 nan 8.190 nan 0.000 0.448 319 V N 3.787 123.699 119.914 -0.002 0.000 2.455 319 V HA 0.881 5.001 4.120 0.000 0.000 0.273 319 V C 0.912 177.005 176.094 -0.002 0.000 1.045 319 V CA 0.826 63.124 62.300 -0.003 0.000 0.976 319 V CB 0.643 32.464 31.823 -0.003 0.000 0.993 319 V HN 0.985 nan 8.190 nan 0.000 0.475 320 G N 4.111 112.911 108.800 -0.001 0.000 2.315 320 G HA2 0.360 4.320 3.960 0.000 0.000 0.294 320 G HA3 0.360 4.320 3.960 0.000 0.000 0.294 320 G C -1.391 173.512 174.900 0.006 0.000 1.300 320 G CA -0.436 44.666 45.100 0.002 0.000 0.843 320 G HN 0.854 nan 8.290 nan 0.000 0.527 321 D N -1.008 119.399 120.400 0.011 0.000 2.339 321 D HA 0.410 5.050 4.640 0.000 0.000 0.245 321 D C 1.424 177.730 176.300 0.010 0.000 1.115 321 D CA -0.659 53.354 54.000 0.021 0.000 0.917 321 D CB 1.353 42.172 40.800 0.031 0.000 1.192 321 D HN 0.310 nan 8.370 nan 0.000 0.428 322 I N 1.487 122.068 120.570 0.018 0.000 2.179 322 I HA -0.251 3.919 4.170 0.000 0.000 0.242 322 I C 2.533 178.635 176.117 -0.025 0.000 1.088 322 I CA 1.480 62.779 61.300 -0.003 0.000 1.357 322 I CB -0.423 37.585 38.000 0.014 0.000 1.051 322 I HN 0.704 nan 8.210 nan 0.000 0.409 323 A N 0.019 122.828 122.820 -0.018 0.000 1.892 323 A HA -0.263 4.058 4.320 0.000 0.000 0.218 323 A C 2.480 180.047 177.584 -0.028 0.000 1.188 323 A CA 2.534 54.553 52.037 -0.030 0.000 0.631 323 A CB -0.925 18.058 19.000 -0.028 0.000 0.822 323 A HN 0.406 nan 8.150 nan 0.000 0.447 324 S N -0.267 115.423 115.700 -0.017 0.000 2.368 324 S HA -0.118 4.352 4.470 0.000 0.000 0.225 324 S C 2.335 176.921 174.600 -0.023 0.000 1.030 324 S CA 1.423 59.615 58.200 -0.014 0.000 0.999 324 S CB -0.325 62.871 63.200 -0.006 0.000 0.844 324 S HN 0.639 nan 8.310 nan 0.000 0.459 325 S N 1.233 116.914 115.700 -0.032 0.000 2.356 325 S HA -0.016 4.454 4.470 0.000 0.000 0.223 325 S C 1.940 176.491 174.600 -0.082 0.000 1.032 325 S CA 1.073 59.244 58.200 -0.048 0.000 1.005 325 S CB -0.267 62.902 63.200 -0.052 0.000 0.867 325 S HN 0.334 nan 8.310 nan 0.000 0.449 326 M N 1.377 120.915 119.600 -0.102 0.000 2.175 326 M HA -0.071 4.409 4.480 0.000 0.000 0.264 326 M C 2.239 178.496 176.300 -0.071 0.000 1.063 326 M CA 1.184 56.397 55.300 -0.146 0.000 1.119 326 M CB -1.495 31.024 32.600 -0.134 0.000 1.377 326 M HN 0.436 nan 8.290 nan 0.000 0.415 327 Q N 0.029 119.808 119.800 -0.036 0.000 2.029 327 Q HA -0.183 4.157 4.340 0.000 0.000 0.209 327 Q C 1.959 177.965 176.000 0.010 0.000 0.999 327 Q CA 2.386 58.185 55.803 -0.006 0.000 0.857 327 Q CB -0.438 28.297 28.738 -0.006 0.000 0.926 327 Q HN 0.543 nan 8.270 nan 0.000 0.415 328 G N 0.387 109.188 108.800 0.001 0.000 2.408 328 G HA2 -0.207 3.753 3.960 0.000 0.000 0.217 328 G HA3 -0.207 3.753 3.960 0.000 0.000 0.217 328 G C 1.414 176.335 174.900 0.035 0.000 1.150 328 G CA 0.805 45.915 45.100 0.017 0.000 0.776 328 G HN 0.253 nan 8.290 nan 0.000 0.542 329 M N 0.193 119.791 119.600 -0.003 0.000 2.080 329 M HA 0.031 4.511 4.480 0.000 0.000 0.260 329 M C 2.651 179.088 176.300 0.229 0.000 1.068 329 M CA 0.998 56.316 55.300 0.029 0.000 1.109 329 M CB -1.122 31.302 32.600 -0.293 0.000 1.342 329 M HN 0.198 nan 8.290 nan 0.000 0.405 330 L N -0.176 121.160 121.223 0.189 0.000 1.989 330 L HA -0.225 4.115 4.340 0.000 0.000 0.211 330 L C 2.742 179.699 176.870 0.145 0.000 1.071 330 L CA 1.525 56.507 54.840 0.235 0.000 0.749 330 L CB -0.803 41.343 42.059 0.145 0.000 0.890 330 L HN 0.297 nan 8.230 nan 0.000 0.431 331 A N -0.323 122.554 122.820 0.095 0.000 1.908 331 A HA -0.287 4.033 4.320 0.000 0.000 0.218 331 A C 2.143 179.775 177.584 0.081 0.000 1.181 331 A CA 2.122 54.201 52.037 0.070 0.000 0.627 331 A CB -0.513 18.516 19.000 0.048 0.000 0.818 331 A HN 0.472 nan 8.150 nan 0.000 0.445 332 E N -0.549 119.715 120.200 0.106 0.000 2.152 332 E HA -0.108 4.242 4.350 0.000 0.000 0.192 332 E C 1.731 178.412 176.600 0.134 0.000 0.983 332 E CA 0.913 57.379 56.400 0.111 0.000 0.818 332 E CB -0.341 29.428 29.700 0.115 0.000 0.758 332 E HN 0.382 nan 8.360 nan 0.000 0.467 333 L N 1.330 122.658 121.223 0.175 0.000 2.012 333 L HA -0.161 4.179 4.340 0.000 0.000 0.210 333 L C 2.278 179.179 176.870 0.052 0.000 1.073 333 L CA 2.095 57.009 54.840 0.124 0.000 0.748 333 L CB -0.590 41.504 42.059 0.057 0.000 0.891 333 L HN 0.115 nan 8.230 nan 0.000 0.431 334 K N -1.359 119.069 120.400 0.047 0.000 2.057 334 K HA -0.200 4.120 4.320 0.000 0.000 0.207 334 K C 1.990 178.608 176.600 0.031 0.000 1.049 334 K CA 1.355 57.656 56.287 0.023 0.000 0.931 334 K CB -0.059 32.456 32.500 0.025 0.000 0.714 334 K HN 0.371 nan 8.250 nan 0.000 0.440 335 Q N 0.335 120.162 119.800 0.045 0.000 2.364 335 Q HA -0.027 4.314 4.340 0.000 0.000 0.207 335 Q C 0.065 176.096 176.000 0.051 0.000 0.970 335 Q CA 0.927 56.756 55.803 0.044 0.000 0.888 335 Q CB 0.163 28.929 28.738 0.046 0.000 0.951 335 Q HN 0.369 nan 8.270 nan 0.000 0.469 336 N N 0.593 119.335 118.700 0.070 0.000 2.639 336 N HA 0.025 4.765 4.740 0.000 0.000 0.265 336 N C -0.831 174.761 175.510 0.137 0.000 1.689 336 N CA 0.043 53.149 53.050 0.093 0.000 0.813 336 N CB 1.212 39.758 38.487 0.099 0.000 1.353 336 N HN 0.096 nan 8.380 nan 0.000 0.510 337 T N -0.314 114.286 114.554 0.076 0.000 2.906 337 T HA 0.372 4.722 4.350 0.000 0.000 0.320 337 T C 0.136 174.909 174.700 0.121 0.000 1.088 337 T CA 0.076 62.188 62.100 0.020 0.000 1.120 337 T CB 0.159 69.006 68.868 -0.036 0.000 1.000 337 T HN 0.276 nan 8.240 nan 0.000 0.550 338 F N -1.754 118.168 119.950 -0.047 0.000 2.711 338 F HA 0.766 5.293 4.527 0.000 0.000 0.313 338 F C -1.032 174.742 175.800 -0.043 0.000 1.141 338 F CA -1.205 56.775 58.000 -0.034 0.000 0.941 338 F CB 1.297 40.282 39.000 -0.025 0.000 1.349 338 F HN 0.604 nan 8.300 nan 0.000 0.464 339 T N 0.712 115.322 114.554 0.093 0.000 2.881 339 T HA 0.419 4.769 4.350 0.000 0.000 0.290 339 T C -0.750 174.102 174.700 0.252 0.000 1.000 339 T CA -0.576 61.531 62.100 0.011 0.000 0.978 339 T CB 1.647 70.522 68.868 0.011 0.000 0.997 339 T HN 0.806 nan 8.240 nan 0.000 0.443 340 T N 5.649 120.340 114.554 0.228 0.000 2.934 340 T HA 0.157 4.507 4.350 0.000 0.000 0.306 340 T C -2.220 172.615 174.700 0.226 0.000 1.042 340 T CA -0.514 61.765 62.100 0.299 0.000 1.145 340 T CB 0.106 69.159 68.868 0.309 0.000 0.982 340 T HN 0.295 nan 8.240 nan 0.000 0.544 341 P HA -0.048 nan 4.420 nan 0.000 0.257 341 P C 0.857 178.281 177.300 0.206 0.000 1.162 341 P CA -0.061 63.145 63.100 0.178 0.000 0.762 341 P CB 0.255 32.051 31.700 0.160 0.000 0.753 342 L N 6.670 127.977 121.223 0.140 0.000 2.081 342 L HA -0.214 4.126 4.340 0.000 0.000 0.212 342 L C 1.990 178.937 176.870 0.129 0.000 1.080 342 L CA 1.941 56.849 54.840 0.113 0.000 0.754 342 L CB -1.009 41.093 42.059 0.072 0.000 0.893 342 L HN 0.310 nan 8.230 nan 0.000 0.433 343 V N -3.274 116.729 119.914 0.148 0.000 2.594 343 V HA -0.289 3.832 4.120 0.000 0.000 0.253 343 V C 2.188 178.428 176.094 0.243 0.000 1.069 343 V CA 1.900 64.294 62.300 0.155 0.000 1.082 343 V CB -1.637 30.272 31.823 0.142 0.000 0.680 343 V HN 0.729 nan 8.190 nan 0.000 0.469 344 W N 1.598 122.939 121.300 0.068 0.000 2.444 344 W HA -0.062 4.598 4.660 0.000 0.000 0.308 344 W C 2.699 179.272 176.519 0.090 0.000 1.183 344 W CA 1.132 58.531 57.345 0.090 0.000 1.340 344 W CB -0.045 29.463 29.460 0.080 0.000 1.138 344 W HN 0.127 nan 8.180 nan 0.000 0.510 345 R N 0.461 120.982 120.500 0.035 0.000 2.119 345 R HA -0.220 4.120 4.340 0.000 0.000 0.246 345 R C 1.724 177.952 176.300 -0.120 0.000 1.146 345 R CA 2.230 58.255 56.100 -0.126 0.000 0.962 345 R CB -0.563 29.735 30.300 -0.004 0.000 0.863 345 R HN 0.150 nan 8.270 nan 0.000 0.442 346 D N 0.423 120.805 120.400 -0.030 0.000 2.097 346 D HA -0.128 4.513 4.640 0.000 0.000 0.197 346 D C 1.761 178.023 176.300 -0.064 0.000 0.984 346 D CA 0.842 54.820 54.000 -0.036 0.000 0.826 346 D CB -0.206 40.597 40.800 0.005 0.000 0.973 346 D HN 0.064 nan 8.370 nan 0.000 0.460 347 I N 0.831 121.391 120.570 -0.018 0.000 2.286 347 I HA -0.178 3.992 4.170 0.000 0.000 0.248 347 I C 2.150 178.191 176.117 -0.127 0.000 1.115 347 I CA 0.893 62.180 61.300 -0.022 0.000 1.392 347 I CB -0.297 37.796 38.000 0.155 0.000 1.065 347 I HN -0.040 nan 8.210 nan 0.000 0.418 348 L N 0.232 121.299 121.223 -0.260 0.000 1.971 348 L HA -0.322 4.018 4.340 0.000 0.000 0.215 348 L C 2.218 178.968 176.870 -0.202 0.000 1.072 348 L CA 2.436 57.078 54.840 -0.330 0.000 0.758 348 L CB -0.955 40.782 42.059 -0.535 0.000 0.889 348 L HN 0.345 nan 8.230 nan 0.000 0.433 349 N N -0.245 118.349 118.700 -0.178 0.000 2.149 349 N HA -0.200 4.541 4.740 0.000 0.000 0.188 349 N C 1.868 177.288 175.510 -0.149 0.000 1.019 349 N CA 1.056 54.023 53.050 -0.139 0.000 0.857 349 N CB -0.133 38.288 38.487 -0.110 0.000 0.997 349 N HN 0.280 nan 8.380 nan 0.000 0.426 350 I N 0.488 120.947 120.570 -0.186 0.000 2.127 350 I HA -0.318 3.852 4.170 0.000 0.000 0.241 350 I C 1.846 177.740 176.117 -0.372 0.000 1.075 350 I CA 1.516 62.651 61.300 -0.275 0.000 1.334 350 I CB -0.377 37.421 38.000 -0.336 0.000 1.040 350 I HN 0.245 nan 8.210 nan 0.000 0.405 351 H N 0.669 119.547 119.070 -0.319 0.000 2.321 351 H HA -0.147 4.409 4.556 0.000 0.000 0.300 351 H C 2.241 177.454 175.328 -0.191 0.000 1.087 351 H CA 1.449 57.318 56.048 -0.298 0.000 1.319 351 H CB -0.204 29.283 29.762 -0.459 0.000 1.379 351 H HN 0.191 nan 8.280 nan 0.000 0.501 352 K N 0.293 120.652 120.400 -0.069 0.000 2.015 352 K HA -0.227 4.093 4.320 0.000 0.000 0.216 352 K C 2.313 178.871 176.600 -0.071 0.000 1.052 352 K CA 1.700 57.944 56.287 -0.072 0.000 0.937 352 K CB -0.043 32.401 32.500 -0.092 0.000 0.719 352 K HN 0.271 nan 8.250 nan 0.000 0.446 353 Q N 0.773 120.517 119.800 -0.093 0.000 2.084 353 Q HA -0.198 4.143 4.340 0.000 0.000 0.202 353 Q C 2.185 178.137 176.000 -0.080 0.000 0.978 353 Q CA 1.572 57.324 55.803 -0.086 0.000 0.844 353 Q CB -0.121 28.560 28.738 -0.095 0.000 0.898 353 Q HN 0.445 nan 8.270 nan 0.000 0.426 354 Q N 0.167 119.905 119.800 -0.104 0.000 2.096 354 Q HA -0.162 4.178 4.340 0.000 0.000 0.204 354 Q C 1.832 177.803 176.000 -0.048 0.000 0.982 354 Q CA 1.273 57.024 55.803 -0.087 0.000 0.850 354 Q CB -0.050 28.618 28.738 -0.118 0.000 0.901 354 Q HN 0.356 nan 8.270 nan 0.000 0.422 355 N N 0.264 118.942 118.700 -0.036 0.000 2.142 355 N HA -0.110 4.630 4.740 0.000 0.000 0.186 355 N C 1.576 177.087 175.510 0.001 0.000 1.023 355 N CA 1.332 54.376 53.050 -0.011 0.000 0.852 355 N CB -0.363 38.124 38.487 -0.001 0.000 0.998 355 N HN 0.242 nan 8.380 nan 0.000 0.424 356 A N 0.717 123.533 122.820 -0.006 0.000 1.933 356 A HA -0.170 4.150 4.320 0.000 0.000 0.218 356 A C 2.227 179.831 177.584 0.034 0.000 1.175 356 A CA 1.359 53.404 52.037 0.014 0.000 0.628 356 A CB -0.511 18.486 19.000 -0.005 0.000 0.814 356 A HN 0.173 nan 8.150 nan 0.000 0.444 357 Q N 0.444 120.245 119.800 0.002 0.000 2.030 357 Q HA -0.155 4.185 4.340 0.000 0.000 0.204 357 Q C 1.933 177.958 176.000 0.042 0.000 0.986 357 Q CA 2.257 58.067 55.803 0.012 0.000 0.843 357 Q CB -0.328 28.394 28.738 -0.027 0.000 0.904 357 Q HN 0.696 nan 8.270 nan 0.000 0.420 358 K N -0.578 119.827 120.400 0.008 0.000 2.097 358 K HA -0.172 4.149 4.320 0.000 0.000 0.206 358 K C 2.070 178.651 176.600 -0.032 0.000 1.049 358 K CA 1.510 57.788 56.287 -0.016 0.000 0.933 358 K CB -0.279 32.204 32.500 -0.029 0.000 0.717 358 K HN 0.238 nan 8.250 nan 0.000 0.442 359 M N 0.642 120.246 119.600 0.007 0.000 2.067 359 M HA -0.193 4.287 4.480 0.000 0.000 0.260 359 M C 2.058 178.382 176.300 0.040 0.000 1.069 359 M CA 1.905 57.221 55.300 0.026 0.000 1.117 359 M CB -0.568 32.084 32.600 0.086 0.000 1.334 359 M HN 0.209 nan 8.290 nan 0.000 0.407 360 H N 0.069 119.137 119.070 -0.003 0.000 2.353 360 H HA -0.148 4.408 4.556 0.000 0.000 0.298 360 H C 1.845 177.166 175.328 -0.012 0.000 1.103 360 H CA 2.433 58.483 56.048 0.005 0.000 1.293 360 H CB -0.072 29.690 29.762 -0.000 0.000 1.372 360 H HN 0.459 nan 8.280 nan 0.000 0.501 361 E N 0.610 120.805 120.200 -0.009 0.000 2.110 361 E HA -0.155 4.195 4.350 0.000 0.000 0.193 361 E C 2.146 178.664 176.600 -0.138 0.000 0.988 361 E CA 1.002 57.360 56.400 -0.071 0.000 0.804 361 E CB -0.059 29.628 29.700 -0.021 0.000 0.745 361 E HN 0.570 nan 8.360 nan 0.000 0.458 362 K N 0.227 120.519 120.400 -0.181 0.000 2.097 362 K HA -0.013 4.307 4.320 0.000 0.000 0.205 362 K C 2.295 178.836 176.600 -0.099 0.000 1.050 362 K CA 0.581 56.710 56.287 -0.263 0.000 0.938 362 K CB -0.021 32.054 32.500 -0.709 0.000 0.718 362 K HN 0.112 nan 8.250 nan 0.000 0.442 363 L N 0.627 121.814 121.223 -0.059 0.000 2.156 363 L HA -0.099 4.241 4.340 0.000 0.000 0.208 363 L C 2.197 179.024 176.870 -0.072 0.000 1.095 363 L CA 1.144 55.992 54.840 0.013 0.000 0.770 363 L CB -0.248 41.816 42.059 0.009 0.000 0.914 363 L HN 0.217 nan 8.230 nan 0.000 0.439 364 S N -3.090 112.490 115.700 -0.200 0.000 2.535 364 S HA 0.047 4.517 4.470 0.000 0.000 0.214 364 S C 0.880 175.424 174.600 -0.093 0.000 0.980 364 S CA -0.336 57.753 58.200 -0.186 0.000 0.907 364 S CB -0.084 62.907 63.200 -0.348 0.000 0.790 364 S HN 0.138 nan 8.310 nan 0.000 0.510 365 T N 3.497 118.006 114.554 -0.075 0.000 2.739 365 T HA 0.309 4.659 4.350 0.000 0.000 0.298 365 T C -0.572 174.120 174.700 -0.014 0.000 0.929 365 T CA -0.212 61.863 62.100 -0.041 0.000 1.014 365 T CB 0.627 69.467 68.868 -0.047 0.000 0.914 365 T HN 0.279 nan 8.240 nan 0.000 0.509 366 D N 2.658 123.052 120.400 -0.010 0.000 2.372 366 D HA 0.408 5.048 4.640 0.000 0.000 0.243 366 D C 0.304 176.605 176.300 0.002 0.000 1.121 366 D CA 0.372 54.372 54.000 -0.001 0.000 0.898 366 D CB 0.729 41.527 40.800 -0.004 0.000 1.202 366 D HN 0.579 nan 8.370 nan 0.000 0.428 367 T N 0.011 114.568 114.554 0.004 0.000 2.868 367 T HA 0.527 4.878 4.350 0.000 0.000 0.306 367 T C -1.204 173.496 174.700 -0.001 0.000 1.224 367 T CA -1.139 60.964 62.100 0.005 0.000 1.012 367 T CB 1.714 70.592 68.868 0.016 0.000 1.221 367 T HN 0.178 nan 8.240 nan 0.000 0.499 368 Q N 1.928 121.728 119.800 0.001 0.000 2.275 368 Q HA 0.461 4.801 4.340 0.000 0.000 0.266 368 Q C -2.439 173.564 176.000 0.005 0.000 1.002 368 Q CA -1.343 54.459 55.803 -0.002 0.000 0.761 368 Q CB 2.145 30.883 28.738 -0.001 0.000 1.255 368 Q HN 0.713 nan 8.270 nan 0.000 0.446 369 P HA 0.289 nan 4.420 nan 0.000 0.274 369 P C 0.064 177.345 177.300 -0.033 0.000 1.256 369 P CA -0.624 62.466 63.100 -0.017 0.000 0.795 369 P CB 0.981 32.670 31.700 -0.019 0.000 1.038 370 L N 1.315 122.502 121.223 -0.060 0.000 2.554 370 L HA -0.066 4.275 4.340 0.000 0.000 0.293 370 L C 1.225 178.038 176.870 -0.095 0.000 1.252 370 L CA 0.305 55.097 54.840 -0.080 0.000 0.862 370 L CB -0.437 41.540 42.059 -0.137 0.000 1.113 370 L HN 0.630 nan 8.230 nan 0.000 0.510 371 N N 0.162 118.837 118.700 -0.041 0.000 2.741 371 N HA 0.166 4.906 4.740 0.000 0.000 0.310 371 N C 0.289 175.781 175.510 -0.029 0.000 1.295 371 N CA -0.581 52.455 53.050 -0.022 0.000 0.893 371 N CB 0.180 38.763 38.487 0.161 0.000 1.247 371 N HN 0.325 nan 8.380 nan 0.000 0.596 372 Y N -1.220 119.161 120.300 0.135 0.000 2.293 372 Y HA 0.040 4.590 4.550 0.000 0.000 0.291 372 Y C 1.435 177.326 175.900 -0.015 0.000 1.137 372 Y CA 1.248 59.386 58.100 0.064 0.000 1.202 372 Y CB -0.386 37.980 38.460 -0.156 0.000 0.990 372 Y HN 0.422 nan 8.280 nan 0.000 0.537 373 F N 0.236 120.320 119.950 0.223 0.000 2.179 373 F HA -0.124 4.403 4.527 0.000 0.000 0.292 373 F C 2.107 177.960 175.800 0.089 0.000 1.089 373 F CA 1.081 59.164 58.000 0.139 0.000 1.295 373 F CB -0.671 38.383 39.000 0.091 0.000 1.041 373 F HN 0.126 nan 8.300 nan 0.000 0.487 374 N N 1.162 120.014 118.700 0.253 0.000 2.188 374 N HA -0.119 4.621 4.740 0.000 0.000 0.184 374 N C 1.681 177.242 175.510 0.086 0.000 1.018 374 N CA 1.287 54.411 53.050 0.123 0.000 0.858 374 N CB -1.124 37.404 38.487 0.068 0.000 0.989 374 N HN 0.188 nan 8.380 nan 0.000 0.426 375 A N 1.212 124.074 122.820 0.070 0.000 1.873 375 A HA -0.071 4.250 4.320 0.000 0.000 0.218 375 A C 2.328 180.003 177.584 0.151 0.000 1.193 375 A CA 1.477 53.532 52.037 0.030 0.000 0.629 375 A CB -1.071 17.869 19.000 -0.101 0.000 0.826 375 A HN 0.326 nan 8.150 nan 0.000 0.447 376 L N -0.854 120.507 121.223 0.229 0.000 2.217 376 L HA -0.098 4.242 4.340 0.000 0.000 0.211 376 L C 2.852 179.802 176.870 0.134 0.000 1.107 376 L CA 1.115 56.076 54.840 0.202 0.000 0.783 376 L CB -0.313 41.829 42.059 0.138 0.000 0.919 376 L HN 0.505 nan 8.230 nan 0.000 0.442 377 S N -0.027 115.748 115.700 0.126 0.000 2.370 377 S HA -0.249 4.221 4.470 0.000 0.000 0.226 377 S C 2.159 176.806 174.600 0.079 0.000 1.033 377 S CA 1.446 59.704 58.200 0.097 0.000 1.011 377 S CB -0.071 63.175 63.200 0.078 0.000 0.852 377 S HN 0.464 nan 8.310 nan 0.000 0.457 378 A N 0.764 123.626 122.820 0.071 0.000 1.877 378 A HA -0.018 4.302 4.320 0.000 0.000 0.216 378 A C 2.350 179.971 177.584 0.061 0.000 1.186 378 A CA 1.821 53.889 52.037 0.052 0.000 0.620 378 A CB -1.135 17.883 19.000 0.030 0.000 0.822 378 A HN 0.455 nan 8.150 nan 0.000 0.443 379 V N 0.222 120.189 119.914 0.089 0.000 2.332 379 V HA -0.298 3.822 4.120 0.000 0.000 0.248 379 V C 2.683 178.828 176.094 0.085 0.000 1.055 379 V CA 2.445 64.802 62.300 0.095 0.000 1.038 379 V CB -0.846 31.059 31.823 0.137 0.000 0.651 379 V HN 0.687 nan 8.190 nan 0.000 0.450 380 R N -0.059 120.496 120.500 0.091 0.000 2.075 380 R HA -0.175 4.165 4.340 0.000 0.000 0.232 380 R C 2.065 178.420 176.300 0.092 0.000 1.126 380 R CA 1.848 58.007 56.100 0.099 0.000 0.963 380 R CB -0.407 29.953 30.300 0.100 0.000 0.858 380 R HN 0.516 nan 8.270 nan 0.000 0.435 381 D N 0.105 120.548 120.400 0.072 0.000 2.133 381 D HA -0.177 4.463 4.640 0.000 0.000 0.192 381 D C 1.893 178.217 176.300 0.040 0.000 1.001 381 D CA 1.625 55.657 54.000 0.053 0.000 0.844 381 D CB -0.206 40.619 40.800 0.042 0.000 0.944 381 D HN 0.149 nan 8.370 nan 0.000 0.447 382 V N 0.824 120.761 119.914 0.038 0.000 2.453 382 V HA -0.140 3.980 4.120 0.000 0.000 0.247 382 V C 2.600 178.714 176.094 0.033 0.000 1.048 382 V CA 0.861 63.174 62.300 0.022 0.000 1.049 382 V CB -0.327 31.503 31.823 0.011 0.000 0.672 382 V HN 0.192 nan 8.190 nan 0.000 0.457 383 L N -0.549 120.714 121.223 0.067 0.000 2.156 383 L HA -0.096 4.244 4.340 0.000 0.000 0.208 383 L C 2.744 179.673 176.870 0.098 0.000 1.095 383 L CA 1.224 56.125 54.840 0.102 0.000 0.770 383 L CB -0.553 41.591 42.059 0.142 0.000 0.914 383 L HN 0.242 nan 8.230 nan 0.000 0.439 384 R N 0.015 120.562 120.500 0.078 0.000 2.139 384 R HA -0.156 4.184 4.340 0.000 0.000 0.243 384 R C 1.642 177.866 176.300 -0.126 0.000 1.145 384 R CA 1.063 57.139 56.100 -0.041 0.000 0.976 384 R CB -0.055 30.252 30.300 0.011 0.000 0.866 384 R HN 0.263 nan 8.270 nan 0.000 0.449 385 E N -0.174 119.992 120.200 -0.056 0.000 2.479 385 E HA 0.084 4.434 4.350 0.000 0.000 0.193 385 E C -0.346 176.224 176.600 -0.051 0.000 1.049 385 E CA 0.274 56.639 56.400 -0.058 0.000 0.870 385 E CB 0.385 30.067 29.700 -0.030 0.000 0.944 385 E HN 0.246 nan 8.360 nan 0.000 0.492 386 N N 1.138 119.814 118.700 -0.040 0.000 2.725 386 N HA 0.112 4.852 4.740 0.000 0.000 0.248 386 N C 0.197 175.708 175.510 0.002 0.000 1.402 386 N CA 0.025 53.067 53.050 -0.013 0.000 0.766 386 N CB 1.087 39.580 38.487 0.011 0.000 1.223 386 N HN 0.045 nan 8.380 nan 0.000 0.515 387 Q N -0.396 119.379 119.800 -0.042 0.000 2.425 387 Q HA -0.010 4.330 4.340 0.000 0.000 0.204 387 Q C 0.119 176.138 176.000 0.031 0.000 0.933 387 Q CA 0.656 56.450 55.803 -0.015 0.000 0.939 387 Q CB 0.329 28.956 28.738 -0.186 0.000 1.044 387 Q HN 0.308 nan 8.270 nan 0.000 0.513 388 D N 0.574 120.982 120.400 0.014 0.000 2.370 388 D HA 0.074 4.714 4.640 0.000 0.000 0.230 388 D C -0.064 176.257 176.300 0.035 0.000 1.143 388 D CA -0.197 53.811 54.000 0.013 0.000 0.834 388 D CB 0.186 40.999 40.800 0.022 0.000 0.944 388 D HN 0.190 nan 8.370 nan 0.000 0.504 389 I N -2.646 117.949 120.570 0.042 0.000 2.934 389 I HA 0.398 4.568 4.170 0.000 0.000 0.315 389 I C -0.603 175.537 176.117 0.037 0.000 0.997 389 I CA -0.835 60.526 61.300 0.101 0.000 1.184 389 I CB 0.569 38.631 38.000 0.103 0.000 1.400 389 I HN -0.244 nan 8.210 nan 0.000 0.549 390 Y N 2.581 122.913 120.300 0.052 0.000 2.361 390 Y HA 0.627 5.177 4.550 0.000 0.000 0.332 390 Y C -0.434 175.497 175.900 0.052 0.000 1.101 390 Y CA -0.570 57.559 58.100 0.048 0.000 1.137 390 Y CB 1.736 40.222 38.460 0.043 0.000 1.207 390 Y HN 0.504 nan 8.280 nan 0.000 0.463 391 L N 3.993 125.312 121.223 0.159 0.000 2.298 391 L HA 0.643 4.984 4.340 0.000 0.000 0.284 391 L C -1.273 175.668 176.870 0.118 0.000 1.013 391 L CA -0.419 54.487 54.840 0.109 0.000 0.824 391 L CB 0.719 42.806 42.059 0.048 0.000 1.221 391 L HN 0.414 nan 8.230 nan 0.000 0.418 392 V N 5.690 125.677 119.914 0.121 0.000 2.532 392 V HA 0.523 4.643 4.120 0.000 0.000 0.295 392 V C -0.285 175.852 176.094 0.072 0.000 1.041 392 V CA -0.655 61.720 62.300 0.124 0.000 0.926 392 V CB 1.716 33.632 31.823 0.154 0.000 0.992 392 V HN 0.889 nan 8.190 nan 0.000 0.457 393 N N 3.234 121.964 118.700 0.050 0.000 2.406 393 N HA 0.496 5.236 4.740 0.000 0.000 0.283 393 N C -1.537 173.958 175.510 -0.025 0.000 1.074 393 N CA -0.469 52.577 53.050 -0.007 0.000 0.916 393 N CB 2.373 40.842 38.487 -0.030 0.000 1.639 393 N HN 0.943 nan 8.380 nan 0.000 0.485 394 E N 2.245 122.413 120.200 -0.053 0.000 2.390 394 E HA 0.743 5.093 4.350 0.000 0.000 0.280 394 E C -0.370 176.181 176.600 -0.082 0.000 0.992 394 E CA -0.976 55.379 56.400 -0.074 0.000 0.790 394 E CB 2.171 31.811 29.700 -0.099 0.000 1.248 394 E HN 0.726 nan 8.360 nan 0.000 0.447 395 G N 0.075 108.819 108.800 -0.094 0.000 2.302 395 G HA2 0.395 4.355 3.960 0.000 0.000 0.264 395 G HA3 0.395 4.355 3.960 0.000 0.000 0.264 395 G C -0.340 174.509 174.900 -0.085 0.000 1.335 395 G CA 0.079 45.127 45.100 -0.088 0.000 0.982 395 G HN 0.934 nan 8.290 nan 0.000 0.473 396 A N -0.652 122.123 122.820 -0.075 0.000 2.284 396 A HA 0.486 4.806 4.320 0.000 0.000 0.219 396 A C 1.757 179.277 177.584 -0.108 0.000 2.353 396 A CA 1.346 53.373 52.037 -0.016 0.000 1.164 396 A CB -0.755 18.326 19.000 0.134 0.000 1.293 396 A HN 0.713 nan 8.150 nan 0.000 0.586 397 N N 0.208 118.795 118.700 -0.188 0.000 2.094 397 N HA -0.137 4.603 4.740 0.000 0.000 0.191 397 N C 1.561 176.704 175.510 -0.612 0.000 1.023 397 N CA 2.260 54.991 53.050 -0.531 0.000 0.857 397 N CB -0.331 37.605 38.487 -0.917 0.000 1.013 397 N HN 0.512 nan 8.380 nan 0.000 0.426 398 T N 0.668 114.985 114.554 -0.395 0.000 2.803 398 T HA -0.109 4.241 4.350 0.000 0.000 0.269 398 T C 1.766 176.289 174.700 -0.294 0.000 1.052 398 T CA 0.703 62.612 62.100 -0.318 0.000 1.136 398 T CB -0.229 68.514 68.868 -0.208 0.000 0.864 398 T HN 0.123 nan 8.240 nan 0.000 0.467 399 L N 1.305 122.403 121.223 -0.208 0.000 2.034 399 L HA 0.034 4.374 4.340 0.000 0.000 0.203 399 L C 1.940 178.720 176.870 -0.149 0.000 1.074 399 L CA 1.800 56.551 54.840 -0.148 0.000 0.748 399 L CB -0.578 41.426 42.059 -0.090 0.000 0.905 399 L HN 0.012 nan 8.230 nan 0.000 0.439 400 D N -0.320 119.987 120.400 -0.155 0.000 2.097 400 D HA -0.180 4.460 4.640 0.000 0.000 0.195 400 D C 1.876 178.079 176.300 -0.162 0.000 0.989 400 D CA 1.793 55.715 54.000 -0.131 0.000 0.827 400 D CB -0.363 40.373 40.800 -0.105 0.000 0.966 400 D HN 0.507 nan 8.370 nan 0.000 0.456 401 N N 0.770 119.318 118.700 -0.254 0.000 2.142 401 N HA -0.075 4.665 4.740 0.000 0.000 0.186 401 N C 1.873 177.263 175.510 -0.199 0.000 1.023 401 N CA 1.173 54.048 53.050 -0.291 0.000 0.852 401 N CB -0.061 38.133 38.487 -0.488 0.000 0.998 401 N HN 0.073 nan 8.380 nan 0.000 0.424 402 A N 1.400 124.100 122.820 -0.201 0.000 1.933 402 A HA -0.157 4.163 4.320 0.000 0.000 0.218 402 A C 2.107 179.633 177.584 -0.097 0.000 1.175 402 A CA 1.200 53.149 52.037 -0.146 0.000 0.628 402 A CB -0.540 18.354 19.000 -0.178 0.000 0.814 402 A HN 0.199 nan 8.150 nan 0.000 0.444 403 R N -0.220 120.222 120.500 -0.098 0.000 2.083 403 R HA -0.178 4.162 4.340 0.000 0.000 0.237 403 R C 1.736 178.001 176.300 -0.058 0.000 1.137 403 R CA 1.929 57.986 56.100 -0.071 0.000 0.951 403 R CB -0.275 29.984 30.300 -0.069 0.000 0.851 403 R HN 0.565 nan 8.270 nan 0.000 0.434 404 N N 0.120 118.788 118.700 -0.054 0.000 2.216 404 N HA -0.091 4.649 4.740 0.000 0.000 0.183 404 N C 1.804 177.310 175.510 -0.006 0.000 1.017 404 N CA 1.277 54.312 53.050 -0.025 0.000 0.861 404 N CB -0.009 38.476 38.487 -0.003 0.000 0.986 404 N HN 0.344 nan 8.380 nan 0.000 0.428 405 I N 0.472 121.035 120.570 -0.012 0.000 2.494 405 I HA 0.013 4.183 4.170 0.000 0.000 0.250 405 I C 0.282 176.406 176.117 0.013 0.000 1.112 405 I CA 0.322 61.636 61.300 0.022 0.000 1.438 405 I CB 0.147 38.169 38.000 0.037 0.000 1.111 405 I HN -0.102 nan 8.210 nan 0.000 0.431 406 I N 2.716 123.278 120.570 -0.014 0.000 2.379 406 I HA 0.097 4.267 4.170 0.000 0.000 0.290 406 I C -0.248 175.820 176.117 -0.083 0.000 1.063 406 I CA 0.096 61.384 61.300 -0.020 0.000 1.351 406 I CB -0.130 37.860 38.000 -0.016 0.000 1.410 406 I HN 0.076 nan 8.210 nan 0.000 0.505 407 D N 7.171 127.491 120.400 -0.133 0.000 2.302 407 D HA 0.326 4.966 4.640 0.000 0.000 0.248 407 D C 0.148 176.090 176.300 -0.598 0.000 1.094 407 D CA -0.219 53.596 54.000 -0.307 0.000 0.897 407 D CB 1.609 42.221 40.800 -0.313 0.000 1.200 407 D HN 0.219 nan 8.370 nan 0.000 0.429 408 M N 2.012 121.304 119.600 -0.514 0.000 2.300 408 M HA 0.186 4.666 4.480 0.000 0.000 0.348 408 M C 0.016 175.951 176.300 -0.608 0.000 1.151 408 M CA -0.540 54.452 55.300 -0.514 0.000 1.046 408 M CB 0.888 33.363 32.600 -0.208 0.000 1.647 408 M HN 0.404 nan 8.290 nan 0.000 0.451 409 Y N 0.088 120.385 120.300 -0.004 0.000 2.498 409 Y HA 0.277 4.827 4.550 0.000 0.000 0.259 409 Y C 0.423 176.315 175.900 -0.013 0.000 1.086 409 Y CA 0.023 58.124 58.100 0.001 0.000 1.287 409 Y CB 0.404 38.862 38.460 -0.004 0.000 1.146 409 Y HN 0.436 nan 8.280 nan 0.000 0.523 410 K N 1.123 121.560 120.400 0.061 0.000 2.395 410 K HA 0.407 4.727 4.320 0.000 0.000 0.247 410 K C -3.012 173.558 176.600 -0.050 0.000 0.973 410 K CA -2.202 54.084 56.287 -0.001 0.000 0.828 410 K CB 1.866 34.349 32.500 -0.027 0.000 1.272 410 K HN -0.272 nan 8.250 nan 0.000 0.439 411 P HA 0.131 nan 4.420 nan 0.000 0.276 411 P C -0.902 176.354 177.300 -0.074 0.000 1.244 411 P CA -0.266 62.802 63.100 -0.054 0.000 0.801 411 P CB 0.402 32.063 31.700 -0.064 0.000 1.006 412 R N 0.333 120.819 120.500 -0.024 0.000 3.251 412 R HA -0.175 4.165 4.340 0.000 0.000 0.249 412 R C 0.528 176.834 176.300 0.010 0.000 0.949 412 R CA 0.225 56.330 56.100 0.007 0.000 0.645 412 R CB -1.186 28.988 30.300 -0.209 0.000 1.065 412 R HN 0.455 nan 8.270 nan 0.000 0.452 413 R N -0.099 120.377 120.500 -0.041 0.000 2.469 413 R HA 0.147 4.487 4.340 0.000 0.000 0.250 413 R C 0.609 176.911 176.300 0.003 0.000 0.909 413 R CA 0.026 56.003 56.100 -0.206 0.000 1.050 413 R CB 0.452 30.557 30.300 -0.326 0.000 1.256 413 R HN 0.235 nan 8.270 nan 0.000 0.550 414 R N 1.072 121.609 120.500 0.062 0.000 2.338 414 R HA 0.468 4.808 4.340 0.000 0.000 0.317 414 R C -1.121 175.205 176.300 0.044 0.000 0.968 414 R CA -0.407 55.724 56.100 0.052 0.000 0.849 414 R CB 0.625 30.934 30.300 0.015 0.000 1.128 414 R HN -0.152 nan 8.270 nan 0.000 0.448 415 L N 4.921 126.170 121.223 0.043 0.000 2.349 415 L HA 0.480 4.820 4.340 0.000 0.000 0.278 415 L C -0.709 176.235 176.870 0.123 0.000 0.996 415 L CA -0.645 54.187 54.840 -0.014 0.000 0.825 415 L CB 1.739 43.723 42.059 -0.124 0.000 1.243 415 L HN 0.765 nan 8.230 nan 0.000 0.412 416 D N -0.038 120.438 120.400 0.127 0.000 2.732 416 D HA 0.251 4.891 4.640 0.000 0.000 0.292 416 D C 0.740 177.113 176.300 0.122 0.000 1.135 416 D CA -0.710 53.356 54.000 0.111 0.000 1.071 416 D CB 0.764 41.581 40.800 0.028 0.000 1.457 416 D HN 0.315 nan 8.370 nan 0.000 0.547 417 C N -0.095 119.214 119.300 0.015 0.000 2.392 417 C HA 0.322 4.782 4.460 0.000 0.000 0.276 417 C C 1.734 176.742 174.990 0.030 0.000 1.212 417 C CA 1.325 60.326 59.018 -0.029 0.000 1.791 417 C CB -1.942 25.778 27.740 -0.035 0.000 2.063 417 C HN 1.009 nan 8.230 nan 0.000 0.481 418 G N -0.619 108.215 108.800 0.056 0.000 2.642 418 G HA2 -0.262 3.698 3.960 0.000 0.000 0.231 418 G HA3 -0.262 3.698 3.960 0.000 0.000 0.231 418 G C 0.497 175.452 174.900 0.092 0.000 1.338 418 G CA 0.216 45.338 45.100 0.037 0.000 0.883 418 G HN 0.257 nan 8.290 nan 0.000 0.570 419 T N -0.505 114.066 114.554 0.028 0.000 2.759 419 T HA -0.121 4.230 4.350 0.000 0.000 0.269 419 T C 1.538 176.474 174.700 0.393 0.000 1.042 419 T CA 2.389 64.578 62.100 0.150 0.000 1.140 419 T CB -0.104 68.737 68.868 -0.045 0.000 0.864 419 T HN 0.435 nan 8.240 nan 0.000 0.455 420 W N 1.102 122.438 121.300 0.060 0.000 3.278 420 W HA 0.478 5.139 4.660 0.001 0.000 0.308 420 W C 1.433 177.927 176.519 -0.042 0.000 1.253 420 W CA -0.806 56.535 57.345 -0.006 0.000 1.759 420 W CB -0.846 28.579 29.460 -0.059 0.000 1.093 420 W HN 0.390 nan 8.180 nan 0.000 0.648 421 G N 1.799 110.728 108.800 0.216 0.000 2.371 421 G HA2 -0.256 3.704 3.960 0.000 0.000 0.299 421 G HA3 -0.256 3.704 3.960 0.000 0.000 0.299 421 G C -0.121 174.741 174.900 -0.064 0.000 1.014 421 G CA 0.200 45.349 45.100 0.081 0.000 1.097 421 G HN -0.015 nan 8.290 nan 0.000 0.512 422 V N 2.366 122.228 119.914 -0.087 0.000 2.427 422 V HA 0.317 4.437 4.120 0.000 0.000 0.268 422 V C 0.931 176.814 176.094 -0.352 0.000 1.046 422 V CA -0.384 61.783 62.300 -0.221 0.000 0.970 422 V CB 1.156 32.863 31.823 -0.192 0.000 1.001 422 V HN 0.425 nan 8.190 nan 0.000 0.476 423 M N 4.401 123.689 119.600 -0.520 0.000 2.146 423 M HA 0.455 4.935 4.480 0.000 0.000 0.352 423 M C 1.076 176.936 176.300 -0.734 0.000 1.343 423 M CA 0.197 55.071 55.300 -0.709 0.000 1.115 423 M CB -0.073 31.837 32.600 -1.150 0.000 1.657 423 M HN 0.958 nan 8.290 nan 0.000 0.471 424 G N 3.099 111.647 108.800 -0.419 0.000 2.613 424 G HA2 -0.155 3.805 3.960 0.000 0.000 0.199 424 G HA3 -0.155 3.805 3.960 0.000 0.000 0.199 424 G C 0.351 175.084 174.900 -0.277 0.000 0.991 424 G CA 0.115 45.098 45.100 -0.194 0.000 0.756 424 G HN 0.660 nan 8.290 nan 0.000 0.515 425 I N 0.516 120.732 120.570 -0.591 0.000 3.251 425 I HA 0.432 4.602 4.170 0.000 0.000 0.277 425 I C 2.121 177.896 176.117 -0.570 0.000 1.268 425 I CA 1.160 61.860 61.300 -1.000 0.000 1.449 425 I CB -0.850 36.217 38.000 -1.555 0.000 1.083 425 I HN 0.074 nan 8.210 nan 0.000 0.464 426 G N 1.239 109.893 108.800 -0.244 0.000 2.433 426 G HA2 -0.152 3.809 3.960 0.000 0.000 0.216 426 G HA3 -0.152 3.809 3.960 0.000 0.000 0.216 426 G C 1.442 176.367 174.900 0.042 0.000 1.186 426 G CA 1.116 46.186 45.100 -0.050 0.000 0.779 426 G HN 0.258 nan 8.290 nan 0.000 0.543 427 M N 1.164 120.794 119.600 0.050 0.000 2.067 427 M HA 0.019 4.499 4.480 0.000 0.000 0.260 427 M C 2.859 179.258 176.300 0.164 0.000 1.069 427 M CA 1.421 56.790 55.300 0.114 0.000 1.117 427 M CB -1.859 30.796 32.600 0.093 0.000 1.334 427 M HN 0.261 nan 8.290 nan 0.000 0.407 428 G N -0.895 108.000 108.800 0.158 0.000 2.418 428 G HA2 -0.225 3.735 3.960 0.000 0.000 0.217 428 G HA3 -0.225 3.735 3.960 0.000 0.000 0.217 428 G C 1.383 176.419 174.900 0.227 0.000 1.158 428 G CA 0.540 45.763 45.100 0.205 0.000 0.771 428 G HN 0.310 nan 8.290 nan 0.000 0.545 429 Y N 1.320 121.644 120.300 0.040 0.000 2.242 429 Y HA 0.068 4.618 4.550 0.000 0.000 0.291 429 Y C 3.112 179.016 175.900 0.007 0.000 1.137 429 Y CA 0.045 58.143 58.100 -0.005 0.000 1.181 429 Y CB -1.074 37.372 38.460 -0.023 0.000 0.989 429 Y HN 0.277 nan 8.280 nan 0.000 0.527 430 A N 0.378 123.319 122.820 0.201 0.000 1.883 430 A HA -0.193 4.128 4.320 0.000 0.000 0.217 430 A C 2.368 180.010 177.584 0.097 0.000 1.186 430 A CA 1.991 54.109 52.037 0.135 0.000 0.624 430 A CB -1.109 17.974 19.000 0.139 0.000 0.822 430 A HN 0.400 nan 8.150 nan 0.000 0.444 431 I N -0.363 120.285 120.570 0.130 0.000 2.202 431 I HA -0.169 4.001 4.170 0.000 0.000 0.242 431 I C 2.738 178.910 176.117 0.091 0.000 1.091 431 I CA 1.141 62.513 61.300 0.119 0.000 1.368 431 I CB -0.699 37.412 38.000 0.186 0.000 1.058 431 I HN 0.382 nan 8.210 nan 0.000 0.410 432 G N 0.525 109.339 108.800 0.024 0.000 2.446 432 G HA2 -0.267 3.693 3.960 0.000 0.000 0.217 432 G HA3 -0.267 3.693 3.960 0.000 0.000 0.217 432 G C 1.866 176.724 174.900 -0.068 0.000 1.168 432 G CA 0.928 45.962 45.100 -0.110 0.000 0.771 432 G HN 0.494 nan 8.290 nan 0.000 0.551 433 A N 1.227 123.979 122.820 -0.113 0.000 1.858 433 A HA -0.064 4.257 4.320 0.000 0.000 0.216 433 A C 2.796 180.171 177.584 -0.347 0.000 1.190 433 A CA 2.920 54.768 52.037 -0.316 0.000 0.617 433 A CB -0.875 17.942 19.000 -0.304 0.000 0.827 433 A HN 0.799 nan 8.150 nan 0.000 0.443 434 S N -0.537 115.065 115.700 -0.163 0.000 2.371 434 S HA -0.096 4.374 4.470 0.000 0.000 0.224 434 S C 1.772 176.339 174.600 -0.054 0.000 1.029 434 S CA 1.313 59.452 58.200 -0.102 0.000 0.978 434 S CB -0.952 62.237 63.200 -0.018 0.000 0.833 434 S HN 0.250 nan 8.310 nan 0.000 0.466 435 V N 2.458 122.371 119.914 -0.002 0.000 2.332 435 V HA -0.186 3.934 4.120 0.000 0.000 0.248 435 V C 2.901 178.999 176.094 0.006 0.000 1.055 435 V CA 2.382 64.695 62.300 0.022 0.000 1.038 435 V CB -1.592 30.291 31.823 0.100 0.000 0.651 435 V HN 0.616 nan 8.190 nan 0.000 0.450 436 T N 0.193 114.745 114.554 -0.003 0.000 2.777 436 T HA -0.137 4.213 4.350 0.000 0.000 0.266 436 T C 1.989 176.653 174.700 -0.061 0.000 1.040 436 T CA 1.878 63.964 62.100 -0.023 0.000 1.141 436 T CB -0.212 68.632 68.868 -0.041 0.000 0.868 436 T HN 0.725 nan 8.240 nan 0.000 0.444 437 S N -0.203 115.422 115.700 -0.124 0.000 2.497 437 S HA 0.400 4.870 4.470 0.000 0.000 0.221 437 S C 1.996 176.589 174.600 -0.011 0.000 1.037 437 S CA 0.707 58.862 58.200 -0.076 0.000 0.920 437 S CB -0.028 63.062 63.200 -0.182 0.000 0.800 437 S HN 0.666 nan 8.310 nan 0.000 0.505 438 G N 0.928 109.714 108.800 -0.024 0.000 2.184 438 G HA2 -0.249 3.711 3.960 0.000 0.000 0.264 438 G HA3 -0.249 3.711 3.960 0.000 0.000 0.264 438 G C 0.145 175.066 174.900 0.035 0.000 0.975 438 G CA 0.360 45.465 45.100 0.010 0.000 0.642 438 G HN 0.724 nan 8.290 nan 0.000 0.536 439 S N 1.493 117.222 115.700 0.048 0.000 2.654 439 S HA 0.662 5.132 4.470 0.000 0.000 0.283 439 S C -2.129 172.535 174.600 0.106 0.000 1.180 439 S CA -1.131 57.137 58.200 0.114 0.000 1.021 439 S CB 1.916 65.271 63.200 0.258 0.000 1.018 439 S HN 0.183 nan 8.310 nan 0.000 0.532 440 P HA 0.235 nan 4.420 nan 0.000 0.268 440 P C -1.165 176.230 177.300 0.159 0.000 1.208 440 P CA -0.217 62.952 63.100 0.114 0.000 0.777 440 P CB 0.378 32.135 31.700 0.095 0.000 0.875 441 V N 2.659 122.652 119.914 0.132 0.000 2.789 441 V HA 0.319 4.439 4.120 0.000 0.000 0.311 441 V C -0.255 175.915 176.094 0.126 0.000 1.073 441 V CA -0.693 61.699 62.300 0.153 0.000 0.921 441 V CB 2.572 34.469 31.823 0.123 0.000 1.009 441 V HN 0.170 nan 8.190 nan 0.000 0.426 442 V N 3.571 123.562 119.914 0.127 0.000 2.357 442 V HA 0.737 4.857 4.120 0.000 0.000 0.284 442 V C 0.292 176.449 176.094 0.104 0.000 1.018 442 V CA -0.438 61.925 62.300 0.105 0.000 0.841 442 V CB 1.615 33.492 31.823 0.090 0.000 0.991 442 V HN 0.990 nan 8.190 nan 0.000 0.437 443 A N 7.044 129.926 122.820 0.104 0.000 2.256 443 A HA 0.770 5.090 4.320 0.000 0.000 0.317 443 A C -0.424 177.208 177.584 0.080 0.000 1.318 443 A CA -0.417 51.679 52.037 0.100 0.000 0.894 443 A CB 0.206 19.282 19.000 0.127 0.000 1.165 443 A HN 0.790 nan 8.150 nan 0.000 0.525 444 I N 3.102 123.695 120.570 0.039 0.000 2.291 444 I HA 0.266 4.436 4.170 0.000 0.000 0.290 444 I C -0.366 175.718 176.117 -0.054 0.000 1.050 444 I CA -0.216 61.074 61.300 -0.016 0.000 1.245 444 I CB 0.925 38.859 38.000 -0.111 0.000 1.405 444 I HN 0.534 nan 8.210 nan 0.000 0.478 445 E N 5.273 125.473 120.200 -0.001 0.000 2.176 445 E HA 0.376 4.726 4.350 0.000 0.000 0.267 445 E C 0.114 176.732 176.600 0.030 0.000 0.893 445 E CA -0.463 55.958 56.400 0.034 0.000 0.761 445 E CB 2.367 32.133 29.700 0.110 0.000 1.133 445 E HN 0.709 nan 8.360 nan 0.000 0.409 446 G N 1.846 110.654 108.800 0.014 0.000 2.594 446 G HA2 -0.003 3.957 3.960 0.000 0.000 0.243 446 G HA3 -0.003 3.957 3.960 0.000 0.000 0.243 446 G C 0.730 175.667 174.900 0.061 0.000 1.229 446 G CA -0.223 44.913 45.100 0.059 0.000 0.843 446 G HN 0.509 nan 8.290 nan 0.000 0.578 447 D N -0.373 120.055 120.400 0.048 0.000 2.162 447 D HA -0.136 4.504 4.640 0.000 0.000 0.203 447 D C 2.168 178.506 176.300 0.063 0.000 0.967 447 D CA 1.206 55.178 54.000 -0.047 0.000 0.840 447 D CB -0.552 40.221 40.800 -0.045 0.000 0.972 447 D HN 0.328 nan 8.370 nan 0.000 0.482 448 S N 0.471 116.228 115.700 0.095 0.000 2.348 448 S HA -0.115 4.355 4.470 0.000 0.000 0.221 448 S C 2.216 176.984 174.600 0.280 0.000 1.033 448 S CA 1.824 60.112 58.200 0.147 0.000 1.010 448 S CB -0.627 62.629 63.200 0.094 0.000 0.891 448 S HN 0.413 nan 8.310 nan 0.000 0.442 449 A N 0.764 123.696 122.820 0.187 0.000 1.917 449 A HA -0.109 4.211 4.320 0.000 0.000 0.219 449 A C 2.011 179.743 177.584 0.247 0.000 1.182 449 A CA 1.953 54.088 52.037 0.164 0.000 0.633 449 A CB -1.238 17.767 19.000 0.008 0.000 0.819 449 A HN 0.695 nan 8.150 nan 0.000 0.448 450 F N 1.230 121.204 119.950 0.040 0.000 2.126 450 F HA -0.063 4.464 4.527 0.000 0.000 0.299 450 F C 2.213 178.041 175.800 0.047 0.000 1.096 450 F CA 1.501 59.498 58.000 -0.005 0.000 1.255 450 F CB -0.697 38.206 39.000 -0.163 0.000 0.997 450 F HN 0.184 nan 8.300 nan 0.000 0.479 451 G N -1.370 107.420 108.800 -0.016 0.000 2.625 451 G HA2 -0.212 3.748 3.960 0.000 0.000 0.214 451 G HA3 -0.212 3.748 3.960 0.000 0.000 0.214 451 G C 1.320 176.073 174.900 -0.246 0.000 1.132 451 G CA 0.344 45.361 45.100 -0.139 0.000 0.782 451 G HN 0.402 nan 8.290 nan 0.000 0.538 452 F N 1.245 121.081 119.950 -0.189 0.000 2.456 452 F HA 0.096 4.623 4.527 0.000 0.000 0.298 452 F C 2.259 177.930 175.800 -0.215 0.000 1.104 452 F CA 1.193 59.089 58.000 -0.172 0.000 1.435 452 F CB 0.519 39.434 39.000 -0.143 0.000 1.078 452 F HN 0.202 nan 8.300 nan 0.000 0.546 453 S N -2.053 113.575 115.700 -0.121 0.000 2.960 453 S HA 0.285 4.755 4.470 0.000 0.000 0.256 453 S C 1.820 176.247 174.600 -0.289 0.000 1.017 453 S CA 0.072 58.180 58.200 -0.153 0.000 1.144 453 S CB -0.368 62.793 63.200 -0.066 0.000 1.109 453 S HN 0.231 nan 8.310 nan 0.000 0.638 454 G N 3.528 112.001 108.800 -0.546 0.000 2.574 454 G HA2 -0.289 3.671 3.960 0.000 0.000 0.220 454 G HA3 -0.289 3.671 3.960 0.000 0.000 0.220 454 G C 1.448 176.238 174.900 -0.183 0.000 1.173 454 G CA 1.643 46.305 45.100 -0.730 0.000 0.772 454 G HN 0.438 nan 8.290 nan 0.000 0.585 455 M N 0.855 120.414 119.600 -0.069 0.000 2.331 455 M HA -0.066 4.414 4.480 0.000 0.000 0.260 455 M C 2.112 178.386 176.300 -0.044 0.000 1.072 455 M CA 0.818 56.121 55.300 0.004 0.000 1.065 455 M CB -0.979 31.640 32.600 0.033 0.000 1.392 455 M HN 0.235 nan 8.290 nan 0.000 0.427 456 E N 0.576 120.764 120.200 -0.020 0.000 2.401 456 E HA -0.115 4.235 4.350 0.000 0.000 0.199 456 E C 1.921 178.510 176.600 -0.017 0.000 1.023 456 E CA 0.667 57.071 56.400 0.007 0.000 0.859 456 E CB -0.742 29.018 29.700 0.100 0.000 0.780 456 E HN 0.759 nan 8.360 nan 0.000 0.523 457 I N -0.830 119.750 120.570 0.018 0.000 2.423 457 I HA -0.202 3.968 4.170 0.000 0.000 0.254 457 I C 2.232 178.261 176.117 -0.147 0.000 1.151 457 I CA 1.509 62.843 61.300 0.057 0.000 1.421 457 I CB -0.291 37.858 38.000 0.248 0.000 1.079 457 I HN -0.098 nan 8.210 nan 0.000 0.431 458 E N 1.946 121.855 120.200 -0.485 0.000 2.106 458 E HA -0.173 4.177 4.350 0.000 0.000 0.192 458 E C 2.029 178.407 176.600 -0.369 0.000 0.984 458 E CA 2.143 58.038 56.400 -0.842 0.000 0.806 458 E CB -0.211 28.761 29.700 -1.214 0.000 0.750 458 E HN 0.598 nan 8.360 nan 0.000 0.458 459 T N 1.475 115.896 114.554 -0.222 0.000 2.777 459 T HA -0.057 4.293 4.350 0.000 0.000 0.266 459 T C 2.122 176.821 174.700 -0.000 0.000 1.040 459 T CA 1.235 63.269 62.100 -0.111 0.000 1.141 459 T CB -0.189 68.578 68.868 -0.168 0.000 0.868 459 T HN 0.150 nan 8.240 nan 0.000 0.444 460 I N 0.971 121.536 120.570 -0.007 0.000 2.208 460 I HA -0.228 3.943 4.170 0.000 0.000 0.245 460 I C 2.622 178.768 176.117 0.049 0.000 1.097 460 I CA 0.979 62.310 61.300 0.053 0.000 1.363 460 I CB -0.431 37.612 38.000 0.072 0.000 1.051 460 I HN 0.340 nan 8.210 nan 0.000 0.413 461 C N -0.041 119.263 119.300 0.006 0.000 2.446 461 C HA -0.146 4.314 4.460 0.000 0.000 0.277 461 C C 2.916 177.872 174.990 -0.056 0.000 1.275 461 C CA 0.793 59.816 59.018 0.009 0.000 1.727 461 C CB -1.216 26.556 27.740 0.054 0.000 2.010 461 C HN 0.478 nan 8.230 nan 0.000 0.486 462 R N -0.186 120.215 120.500 -0.165 0.000 2.127 462 R HA -0.160 4.180 4.340 0.000 0.000 0.238 462 R C 1.346 177.358 176.300 -0.480 0.000 1.134 462 R CA 1.882 57.774 56.100 -0.347 0.000 0.975 462 R CB -0.273 29.728 30.300 -0.499 0.000 0.865 462 R HN 0.644 nan 8.270 nan 0.000 0.447 463 Y N -0.383 119.884 120.300 -0.054 0.000 2.458 463 Y HA 0.212 4.762 4.550 0.000 0.000 0.256 463 Y C 0.306 176.195 175.900 -0.017 0.000 1.159 463 Y CA -0.020 58.054 58.100 -0.042 0.000 1.261 463 Y CB 0.183 38.600 38.460 -0.070 0.000 1.119 463 Y HN 0.166 nan 8.280 nan 0.000 0.524 464 N N 0.795 119.545 118.700 0.082 0.000 2.758 464 N HA -0.202 4.539 4.740 0.000 0.000 0.248 464 N C -1.221 174.339 175.510 0.083 0.000 1.076 464 N CA 0.256 53.347 53.050 0.069 0.000 0.696 464 N CB -1.383 37.134 38.487 0.051 0.000 0.979 464 N HN 0.328 nan 8.380 nan 0.000 0.550 465 L N 0.413 121.692 121.223 0.094 0.000 2.349 465 L HA 0.385 4.726 4.340 0.000 0.000 0.275 465 L C -1.394 175.521 176.870 0.076 0.000 1.115 465 L CA -1.646 53.243 54.840 0.081 0.000 0.820 465 L CB 0.748 42.855 42.059 0.080 0.000 1.135 465 L HN 0.103 nan 8.230 nan 0.000 0.445 466 P HA 0.113 nan 4.420 nan 0.000 0.244 466 P C -0.765 176.583 177.300 0.080 0.000 1.769 466 P CA 0.033 63.176 63.100 0.072 0.000 1.102 466 P CB 0.259 31.998 31.700 0.065 0.000 1.937 467 V N 2.757 122.724 119.914 0.089 0.000 2.487 467 V HA 0.361 4.482 4.120 0.000 0.000 0.298 467 V C 0.365 176.521 176.094 0.104 0.000 1.028 467 V CA -0.192 62.167 62.300 0.098 0.000 0.860 467 V CB 2.267 34.154 31.823 0.106 0.000 0.991 467 V HN 0.220 nan 8.190 nan 0.000 0.427 468 T N 6.115 120.729 114.554 0.100 0.000 2.779 468 T HA 0.636 4.986 4.350 0.000 0.000 0.280 468 T C -0.275 174.485 174.700 0.100 0.000 0.987 468 T CA -0.128 62.030 62.100 0.098 0.000 0.966 468 T CB 0.924 69.837 68.868 0.075 0.000 0.933 468 T HN 0.390 nan 8.240 nan 0.000 0.442 469 I N 3.330 123.960 120.570 0.100 0.000 2.312 469 I HA 0.334 4.504 4.170 0.000 0.000 0.290 469 I C -0.315 175.831 176.117 0.049 0.000 1.008 469 I CA -0.817 60.533 61.300 0.083 0.000 1.226 469 I CB 1.260 39.312 38.000 0.086 0.000 1.371 469 I HN 0.274 nan 8.210 nan 0.000 0.468 470 V N 7.897 127.856 119.914 0.076 0.000 2.311 470 V HA 0.381 4.502 4.120 0.000 0.000 0.275 470 V C 0.208 176.397 176.094 0.159 0.000 1.022 470 V CA -0.393 61.977 62.300 0.117 0.000 0.830 470 V CB 0.874 32.815 31.823 0.196 0.000 1.012 470 V HN 0.495 nan 8.190 nan 0.000 0.452 471 I N 5.027 125.631 120.570 0.056 0.000 2.315 471 I HA 0.359 4.529 4.170 0.000 0.000 0.291 471 I C -0.517 175.708 176.117 0.181 0.000 1.006 471 I CA -0.291 61.021 61.300 0.020 0.000 1.265 471 I CB 1.150 38.950 38.000 -0.333 0.000 1.387 471 I HN 0.390 nan 8.210 nan 0.000 0.475 472 F N 5.196 125.109 119.950 -0.061 0.000 2.462 472 F HA 0.179 4.706 4.527 0.000 0.000 0.354 472 F C 0.838 176.617 175.800 -0.035 0.000 1.192 472 F CA -0.663 57.315 58.000 -0.036 0.000 1.173 472 F CB -0.301 38.725 39.000 0.043 0.000 1.402 472 F HN 0.400 nan 8.300 nan 0.000 0.595 473 N N 3.665 122.381 118.700 0.026 0.000 2.555 473 N HA -0.029 4.712 4.740 0.000 0.000 0.244 473 N C 0.553 176.059 175.510 -0.006 0.000 1.114 473 N CA 0.006 53.088 53.050 0.055 0.000 0.963 473 N CB 0.032 38.586 38.487 0.112 0.000 1.276 473 N HN 0.461 nan 8.380 nan 0.000 0.510 474 N N 2.518 121.237 118.700 0.032 0.000 2.268 474 N HA 0.074 4.815 4.740 0.000 0.000 0.204 474 N C 0.847 176.342 175.510 -0.026 0.000 1.124 474 N CA 0.324 53.369 53.050 -0.009 0.000 0.838 474 N CB -0.221 38.310 38.487 0.073 0.000 0.994 474 N HN 0.475 nan 8.380 nan 0.000 0.489 475 G N -1.310 107.480 108.800 -0.016 0.000 2.179 475 G HA2 0.018 3.978 3.960 0.000 0.000 0.257 475 G HA3 0.018 3.978 3.960 0.000 0.000 0.257 475 G C 0.353 175.268 174.900 0.024 0.000 1.010 475 G CA 0.481 45.563 45.100 -0.031 0.000 0.736 475 G HN 1.043 nan 8.290 nan 0.000 0.513 476 G N -1.539 107.298 108.800 0.060 0.000 2.333 476 G HA2 0.462 4.422 3.960 0.000 0.000 0.288 476 G HA3 0.462 4.422 3.960 0.000 0.000 0.288 476 G C -0.818 174.106 174.900 0.040 0.000 1.286 476 G CA -0.468 44.667 45.100 0.058 0.000 0.865 476 G HN 0.804 nan 8.290 nan 0.000 0.506 477 I N 1.706 122.273 120.570 -0.004 0.000 2.322 477 I HA 0.345 4.515 4.170 0.000 0.000 0.292 477 I C 0.897 176.933 176.117 -0.136 0.000 1.060 477 I CA 0.128 61.330 61.300 -0.165 0.000 1.309 477 I CB -0.132 37.737 38.000 -0.218 0.000 1.415 477 I HN 0.723 nan 8.210 nan 0.000 0.492 478 Y N 3.211 123.552 120.300 0.068 0.000 2.738 478 Y HA -0.348 4.202 4.550 0.000 0.000 0.479 478 Y C 0.824 176.782 175.900 0.098 0.000 1.177 478 Y CA 0.774 58.908 58.100 0.057 0.000 2.776 478 Y CB -1.205 37.276 38.460 0.035 0.000 1.037 478 Y HN 0.533 nan 8.280 nan 0.000 0.572 479 R N -0.628 120.027 120.500 0.257 0.000 2.836 479 R HA 0.651 4.992 4.340 0.000 0.000 0.269 479 R C 0.826 177.191 176.300 0.109 0.000 1.010 479 R CA -0.135 56.070 56.100 0.175 0.000 0.930 479 R CB 1.524 31.917 30.300 0.155 0.000 1.218 479 R HN 0.263 nan 8.270 nan 0.000 0.473 480 G N -0.108 108.731 108.800 0.066 0.000 3.233 480 G HA2 -0.055 3.906 3.960 0.000 0.000 0.234 480 G HA3 -0.055 3.906 3.960 0.000 0.000 0.234 480 G C 0.026 174.936 174.900 0.017 0.000 1.137 480 G CA -0.101 45.009 45.100 0.016 0.000 0.763 480 G HN 0.671 nan 8.290 nan 0.000 0.549 481 D N 0.240 120.666 120.400 0.043 0.000 2.559 481 D HA 0.227 4.867 4.640 0.000 0.000 0.234 481 D C 1.119 177.451 176.300 0.054 0.000 1.226 481 D CA -0.641 53.387 54.000 0.046 0.000 0.830 481 D CB 0.013 40.841 40.800 0.045 0.000 1.028 481 D HN 0.080 nan 8.370 nan 0.000 0.492 482 G N 0.088 108.923 108.800 0.058 0.000 2.594 482 G HA2 0.465 4.425 3.960 0.000 0.000 0.243 482 G HA3 0.465 4.425 3.960 0.000 0.000 0.243 482 G C 0.079 175.009 174.900 0.050 0.000 1.229 482 G CA -0.192 44.942 45.100 0.056 0.000 0.843 482 G HN 0.394 nan 8.290 nan 0.000 0.578 483 V N -0.880 119.061 119.914 0.044 0.000 2.735 483 V HA 0.523 4.643 4.120 0.000 0.000 0.310 483 V C -0.639 175.475 176.094 0.033 0.000 1.061 483 V CA -1.421 60.902 62.300 0.038 0.000 0.913 483 V CB 2.026 33.869 31.823 0.034 0.000 1.005 483 V HN 0.613 nan 8.190 nan 0.000 0.428 484 D N 3.095 123.513 120.400 0.030 0.000 2.342 484 D HA 0.179 4.819 4.640 0.000 0.000 0.260 484 D C 0.890 177.203 176.300 0.022 0.000 1.278 484 D CA 0.061 54.076 54.000 0.025 0.000 0.910 484 D CB 0.945 41.759 40.800 0.023 0.000 1.079 484 D HN 0.660 nan 8.370 nan 0.000 0.496 485 L N 2.980 124.215 121.223 0.021 0.000 2.700 485 L HA -0.091 4.249 4.340 0.000 0.000 0.240 485 L C 2.058 178.937 176.870 0.015 0.000 1.162 485 L CA 0.398 55.249 54.840 0.018 0.000 0.874 485 L CB -0.432 41.638 42.059 0.018 0.000 1.001 485 L HN 0.378 nan 8.230 nan 0.000 0.447 486 S N -1.234 114.475 115.700 0.014 0.000 2.458 486 S HA 0.096 4.566 4.470 0.000 0.000 0.223 486 S C 1.515 176.121 174.600 0.011 0.000 1.019 486 S CA 0.402 58.609 58.200 0.012 0.000 0.937 486 S CB 0.265 63.471 63.200 0.011 0.000 0.788 486 S HN 0.457 nan 8.310 nan 0.000 0.511 487 G N 0.769 109.577 108.800 0.013 0.000 2.204 487 G HA2 -0.006 3.954 3.960 0.000 0.000 0.244 487 G HA3 -0.006 3.954 3.960 0.000 0.000 0.244 487 G C 0.441 175.347 174.900 0.011 0.000 1.062 487 G CA -0.014 45.093 45.100 0.012 0.000 0.798 487 G HN 1.272 nan 8.290 nan 0.000 0.496 488 A N -0.713 122.114 122.820 0.012 0.000 2.382 488 A HA 0.669 4.989 4.320 0.000 0.000 0.228 488 A C 2.379 179.970 177.584 0.011 0.000 1.217 488 A CA 1.553 53.596 52.037 0.010 0.000 0.923 488 A CB -0.032 18.973 19.000 0.009 0.000 0.979 488 A HN 2.402 nan 8.150 nan 0.000 0.515 489 G N -0.850 107.958 108.800 0.014 0.000 2.155 489 G HA2 0.022 3.982 3.960 0.000 0.000 0.257 489 G HA3 0.022 3.982 3.960 0.000 0.000 0.257 489 G C 0.562 175.473 174.900 0.017 0.000 0.983 489 G CA 0.573 45.682 45.100 0.016 0.000 0.676 489 G HN 1.623 nan 8.290 nan 0.000 0.528 490 A N 0.257 123.087 122.820 0.017 0.000 2.366 490 A HA 0.697 5.017 4.320 0.000 0.000 0.249 490 A C -1.233 176.366 177.584 0.025 0.000 1.084 490 A CA -0.746 51.302 52.037 0.018 0.000 0.794 490 A CB 0.215 19.224 19.000 0.015 0.000 1.034 490 A HN 0.207 nan 8.150 nan 0.000 0.491 491 P HA 0.096 nan 4.420 nan 0.000 0.265 491 P C 0.169 177.488 177.300 0.032 0.000 1.187 491 P CA 0.191 63.311 63.100 0.034 0.000 0.766 491 P CB 0.535 32.254 31.700 0.032 0.000 0.820 492 S N 3.375 119.098 115.700 0.038 0.000 2.624 492 S HA 0.280 4.750 4.470 0.000 0.000 0.263 492 S C -1.609 173.014 174.600 0.038 0.000 1.287 492 S CA -0.930 57.293 58.200 0.038 0.000 0.990 492 S CB 0.066 63.293 63.200 0.044 0.000 0.950 492 S HN 0.225 nan 8.310 nan 0.000 0.561 493 P HA -0.019 nan 4.420 nan 0.000 0.223 493 P C 1.120 178.445 177.300 0.041 0.000 1.144 493 P CA 1.285 64.406 63.100 0.036 0.000 0.783 493 P CB -0.222 31.501 31.700 0.039 0.000 0.771 494 T N -6.402 108.185 114.554 0.055 0.000 3.022 494 T HA 0.102 4.452 4.350 0.000 0.000 0.250 494 T C 0.496 175.227 174.700 0.051 0.000 1.060 494 T CA -0.252 61.884 62.100 0.060 0.000 1.013 494 T CB -0.304 68.628 68.868 0.107 0.000 0.982 494 T HN -0.087 nan 8.240 nan 0.000 0.508 495 D N 1.941 122.371 120.400 0.049 0.000 2.351 495 D HA 0.409 5.049 4.640 0.000 0.000 0.251 495 D C 0.176 176.503 176.300 0.045 0.000 1.137 495 D CA -0.083 53.945 54.000 0.047 0.000 0.879 495 D CB 1.344 42.173 40.800 0.049 0.000 1.181 495 D HN 0.319 nan 8.370 nan 0.000 0.448 496 L N 1.114 122.368 121.223 0.052 0.000 2.440 496 L HA 0.318 4.658 4.340 0.000 0.000 0.262 496 L C 0.308 177.211 176.870 0.056 0.000 1.072 496 L CA -1.269 53.610 54.840 0.065 0.000 0.798 496 L CB 0.440 42.566 42.059 0.111 0.000 1.307 496 L HN 0.179 nan 8.230 nan 0.000 0.475 497 L N 0.851 122.105 121.223 0.051 0.000 2.584 497 L HA -0.005 4.336 4.340 0.000 0.000 0.272 497 L C 0.288 177.193 176.870 0.059 0.000 1.195 497 L CA 0.497 55.367 54.840 0.050 0.000 0.920 497 L CB -0.465 41.604 42.059 0.016 0.000 1.173 497 L HN 0.357 nan 8.230 nan 0.000 0.489 498 H N 6.048 125.113 119.070 -0.009 0.000 3.237 498 H HA -0.104 4.452 4.556 0.000 0.000 0.263 498 H C 0.315 175.652 175.328 0.014 0.000 0.854 498 H CA 1.279 57.309 56.048 -0.031 0.000 1.416 498 H CB -0.172 29.613 29.762 0.038 0.000 1.432 498 H HN 0.722 nan 8.280 nan 0.000 0.529 499 H N 0.567 119.630 119.070 -0.012 0.000 2.936 499 H HA -0.192 4.364 4.556 0.000 0.000 0.276 499 H C 0.462 175.783 175.328 -0.011 0.000 1.216 499 H CA 0.434 56.498 56.048 0.027 0.000 1.132 499 H CB -1.737 28.116 29.762 0.151 0.000 1.303 499 H HN 0.788 nan 8.280 nan 0.000 0.370 500 A N 1.335 124.148 122.820 -0.011 0.000 2.587 500 A HA 0.157 4.477 4.320 0.000 0.000 0.235 500 A C 0.985 178.451 177.584 -0.197 0.000 1.044 500 A CA 0.378 52.299 52.037 -0.193 0.000 0.754 500 A CB 0.344 19.076 19.000 -0.447 0.000 0.968 500 A HN 0.301 nan 8.150 nan 0.000 0.509 501 R N 2.800 123.179 120.500 -0.202 0.000 2.575 501 R HA 0.177 4.517 4.340 0.000 0.000 0.281 501 R C -0.522 175.711 176.300 -0.112 0.000 1.272 501 R CA -0.105 55.936 56.100 -0.099 0.000 1.417 501 R CB 0.005 30.285 30.300 -0.034 0.000 1.121 501 R HN 0.859 nan 8.270 nan 0.000 0.583 502 Y N 1.065 121.366 120.300 0.001 0.000 2.403 502 Y HA -0.240 4.311 4.550 0.000 0.000 0.291 502 Y C 2.103 177.992 175.900 -0.018 0.000 1.143 502 Y CA 1.575 59.663 58.100 -0.020 0.000 1.257 502 Y CB 0.047 38.426 38.460 -0.134 0.000 0.984 502 Y HN 0.487 nan 8.280 nan 0.000 0.550 503 D N 0.291 120.761 120.400 0.117 0.000 2.218 503 D HA -0.187 4.453 4.640 0.000 0.000 0.204 503 D C 1.454 177.785 176.300 0.051 0.000 0.976 503 D CA 1.080 55.128 54.000 0.079 0.000 0.853 503 D CB -0.298 40.543 40.800 0.068 0.000 0.939 503 D HN 0.311 nan 8.370 nan 0.000 0.481 504 K N 0.315 120.732 120.400 0.028 0.000 2.211 504 K HA 0.014 4.334 4.320 0.000 0.000 0.203 504 K C 2.447 179.051 176.600 0.007 0.000 1.050 504 K CA 0.340 56.626 56.287 -0.001 0.000 0.945 504 K CB -0.087 32.398 32.500 -0.024 0.000 0.732 504 K HN 0.162 nan 8.250 nan 0.000 0.451 505 L N 0.400 121.663 121.223 0.066 0.000 2.051 505 L HA -0.263 4.077 4.340 0.000 0.000 0.214 505 L C 2.398 179.316 176.870 0.080 0.000 1.076 505 L CA 1.052 55.956 54.840 0.106 0.000 0.758 505 L CB -0.532 41.693 42.059 0.277 0.000 0.890 505 L HN 0.279 nan 8.230 nan 0.000 0.433 506 M N -0.560 119.118 119.600 0.130 0.000 2.337 506 M HA -0.214 4.266 4.480 0.000 0.000 0.261 506 M C 1.721 178.033 176.300 0.020 0.000 1.067 506 M CA 1.416 56.801 55.300 0.142 0.000 1.074 506 M CB -1.143 31.533 32.600 0.127 0.000 1.395 506 M HN 0.278 nan 8.290 nan 0.000 0.431 507 D N 0.699 121.067 120.400 -0.054 0.000 2.104 507 D HA -0.118 4.523 4.640 0.000 0.000 0.194 507 D C 1.957 178.150 176.300 -0.178 0.000 0.994 507 D CA 1.709 55.654 54.000 -0.092 0.000 0.830 507 D CB -0.266 40.481 40.800 -0.087 0.000 0.959 507 D HN 0.355 nan 8.370 nan 0.000 0.452 508 A N 0.019 122.616 122.820 -0.372 0.000 2.042 508 A HA -0.190 4.130 4.320 0.000 0.000 0.222 508 A C 1.355 178.528 177.584 -0.685 0.000 1.167 508 A CA 1.306 52.919 52.037 -0.707 0.000 0.649 508 A CB -0.580 17.661 19.000 -1.265 0.000 0.809 508 A HN 0.236 nan 8.150 nan 0.000 0.457 509 F N -2.356 117.610 119.950 0.027 0.000 2.729 509 F HA 0.372 4.899 4.527 0.000 0.000 0.315 509 F C 0.781 176.591 175.800 0.016 0.000 1.102 509 F CA -0.377 57.636 58.000 0.022 0.000 1.204 509 F CB 0.135 39.156 39.000 0.035 0.000 1.052 509 F HN 0.103 nan 8.300 nan 0.000 0.551 510 R N 0.152 120.713 120.500 0.102 0.000 3.407 510 R HA -0.114 4.227 4.340 0.000 0.000 0.277 510 R C 0.403 176.750 176.300 0.078 0.000 1.119 510 R CA 0.468 56.607 56.100 0.065 0.000 0.750 510 R CB -1.931 28.404 30.300 0.057 0.000 1.258 510 R HN 0.473 nan 8.270 nan 0.000 0.432 511 G N -0.615 108.241 108.800 0.093 0.000 2.788 511 G HA2 0.665 4.626 3.960 0.000 0.000 0.293 511 G HA3 0.665 4.626 3.960 0.000 0.000 0.293 511 G C -0.389 174.545 174.900 0.056 0.000 1.305 511 G CA -0.575 44.581 45.100 0.094 0.000 1.005 511 G HN 0.031 nan 8.290 nan 0.000 0.496 512 V N -0.167 119.783 119.914 0.060 0.000 2.481 512 V HA 0.740 4.860 4.120 0.000 0.000 0.286 512 V C 0.728 176.827 176.094 0.009 0.000 1.042 512 V CA -0.161 62.140 62.300 0.003 0.000 0.928 512 V CB 1.159 33.014 31.823 0.055 0.000 0.986 512 V HN 1.005 nan 8.190 nan 0.000 0.462 513 G N 2.889 111.624 108.800 -0.108 0.000 2.566 513 G HA2 0.680 4.641 3.960 0.000 0.000 0.311 513 G HA3 0.680 4.641 3.960 0.000 0.000 0.311 513 G C -1.824 172.932 174.900 -0.240 0.000 1.322 513 G CA -0.380 44.686 45.100 -0.056 0.000 0.969 513 G HN 0.457 nan 8.290 nan 0.000 0.490 514 Y N 0.500 120.822 120.300 0.037 0.000 2.446 514 Y HA 0.487 5.037 4.550 0.000 0.000 0.345 514 Y C 0.183 176.097 175.900 0.024 0.000 0.984 514 Y CA -1.087 57.034 58.100 0.035 0.000 1.058 514 Y CB 2.585 41.072 38.460 0.046 0.000 1.220 514 Y HN 0.546 nan 8.280 nan 0.000 0.455 515 N N 1.699 120.499 118.700 0.167 0.000 2.400 515 N HA 0.610 5.351 4.740 0.000 0.000 0.288 515 N C -1.717 173.849 175.510 0.094 0.000 1.024 515 N CA -0.604 52.507 53.050 0.101 0.000 0.894 515 N CB 1.467 39.989 38.487 0.059 0.000 1.173 515 N HN 0.496 nan 8.380 nan 0.000 0.487 516 V N 0.967 120.909 119.914 0.046 0.000 2.709 516 V HA 0.668 4.789 4.120 0.000 0.000 0.308 516 V C 0.485 176.564 176.094 -0.024 0.000 1.062 516 V CA -0.320 61.987 62.300 0.012 0.000 0.901 516 V CB 1.133 32.947 31.823 -0.015 0.000 1.003 516 V HN 0.825 nan 8.190 nan 0.000 0.425 517 T N -0.370 114.171 114.554 -0.021 0.000 2.975 517 T HA 0.335 4.685 4.350 0.000 0.000 0.261 517 T C 0.660 175.336 174.700 -0.040 0.000 0.984 517 T CA 0.662 62.744 62.100 -0.031 0.000 0.911 517 T CB 0.053 68.914 68.868 -0.011 0.000 1.127 517 T HN 1.366 nan 8.240 nan 0.000 0.514 518 T N -0.986 113.547 114.554 -0.034 0.000 2.883 518 T HA 0.481 4.831 4.350 0.000 0.000 0.296 518 T C 1.314 175.995 174.700 -0.030 0.000 1.117 518 T CA 0.134 62.216 62.100 -0.030 0.000 1.006 518 T CB 1.535 70.394 68.868 -0.015 0.000 1.191 518 T HN 0.070 nan 8.240 nan 0.000 0.508 519 T N -1.353 113.187 114.554 -0.023 0.000 2.803 519 T HA -0.129 4.221 4.350 0.000 0.000 0.269 519 T C 1.160 175.859 174.700 -0.002 0.000 1.052 519 T CA 1.549 63.641 62.100 -0.014 0.000 1.136 519 T CB -0.636 68.230 68.868 -0.002 0.000 0.864 519 T HN 0.597 nan 8.240 nan 0.000 0.467 520 D N 1.164 121.566 120.400 0.002 0.000 2.137 520 D HA 0.008 4.648 4.640 0.000 0.000 0.202 520 D C 2.287 178.602 176.300 0.026 0.000 0.970 520 D CA 0.979 54.987 54.000 0.014 0.000 0.837 520 D CB -0.218 40.587 40.800 0.007 0.000 0.981 520 D HN 0.603 nan 8.370 nan 0.000 0.475 521 E N 0.259 120.467 120.200 0.014 0.000 2.058 521 E HA -0.181 4.169 4.350 0.000 0.000 0.194 521 E C 2.011 178.621 176.600 0.017 0.000 0.997 521 E CA 0.478 56.894 56.400 0.026 0.000 0.801 521 E CB -0.064 29.646 29.700 0.017 0.000 0.746 521 E HN 0.058 nan 8.360 nan 0.000 0.450 522 L N 1.478 122.693 121.223 -0.013 0.000 2.012 522 L HA -0.203 4.137 4.340 0.000 0.000 0.210 522 L C 2.105 178.953 176.870 -0.037 0.000 1.073 522 L CA 1.812 56.629 54.840 -0.039 0.000 0.748 522 L CB -0.515 41.513 42.059 -0.053 0.000 0.891 522 L HN -0.026 nan 8.230 nan 0.000 0.431 523 R N -1.677 118.818 120.500 -0.008 0.000 2.083 523 R HA -0.243 4.097 4.340 0.000 0.000 0.237 523 R C 2.365 178.647 176.300 -0.030 0.000 1.137 523 R CA 1.772 57.868 56.100 -0.007 0.000 0.951 523 R CB -0.505 29.805 30.300 0.017 0.000 0.851 523 R HN 0.611 nan 8.270 nan 0.000 0.434 524 H N -0.081 118.939 119.070 -0.082 0.000 2.326 524 H HA 0.019 4.575 4.556 0.000 0.000 0.301 524 H C 1.814 177.014 175.328 -0.213 0.000 1.081 524 H CA 1.818 57.804 56.048 -0.103 0.000 1.334 524 H CB -0.106 29.613 29.762 -0.072 0.000 1.385 524 H HN 0.244 nan 8.280 nan 0.000 0.504 525 A N 0.514 123.176 122.820 -0.263 0.000 1.908 525 A HA -0.129 4.191 4.320 0.000 0.000 0.218 525 A C 2.365 179.643 177.584 -0.510 0.000 1.181 525 A CA 1.682 53.312 52.037 -0.678 0.000 0.627 525 A CB -0.895 17.776 19.000 -0.549 0.000 0.818 525 A HN 0.493 nan 8.150 nan 0.000 0.445 526 L N -0.506 120.560 121.223 -0.262 0.000 2.156 526 L HA -0.045 4.295 4.340 0.000 0.000 0.208 526 L C 2.435 179.219 176.870 -0.143 0.000 1.095 526 L CA 2.531 57.280 54.840 -0.152 0.000 0.770 526 L CB -0.797 41.226 42.059 -0.060 0.000 0.914 526 L HN 0.361 nan 8.230 nan 0.000 0.439 527 T N -1.036 113.411 114.554 -0.179 0.000 2.708 527 T HA -0.162 4.188 4.350 0.000 0.000 0.266 527 T C 1.705 176.301 174.700 -0.174 0.000 1.037 527 T CA 1.957 63.966 62.100 -0.152 0.000 1.146 527 T CB -0.507 68.269 68.868 -0.155 0.000 0.865 527 T HN 0.420 nan 8.240 nan 0.000 0.435 528 T N 1.333 115.704 114.554 -0.305 0.000 2.622 528 T HA -0.074 4.276 4.350 0.000 0.000 0.266 528 T C 2.220 176.864 174.700 -0.093 0.000 1.047 528 T CA 1.405 63.368 62.100 -0.228 0.000 1.159 528 T CB -1.201 67.460 68.868 -0.344 0.000 0.863 528 T HN 0.502 nan 8.240 nan 0.000 0.422 529 G N 1.942 110.676 108.800 -0.111 0.000 2.808 529 G HA2 -0.328 3.632 3.960 0.000 0.000 0.225 529 G HA3 -0.328 3.632 3.960 0.000 0.000 0.225 529 G C 1.484 176.392 174.900 0.014 0.000 1.210 529 G CA 1.577 46.673 45.100 -0.008 0.000 0.777 529 G HN 0.542 nan 8.290 nan 0.000 0.640 530 I N 0.215 120.783 120.570 -0.004 0.000 2.163 530 I HA -0.220 3.951 4.170 0.000 0.000 0.243 530 I C 3.061 179.188 176.117 0.017 0.000 1.085 530 I CA 1.695 63.005 61.300 0.018 0.000 1.347 530 I CB -0.395 37.614 38.000 0.016 0.000 1.044 530 I HN 0.275 nan 8.210 nan 0.000 0.408 531 Q N 0.226 120.024 119.800 -0.004 0.000 2.230 531 Q HA -0.144 4.196 4.340 0.000 0.000 0.202 531 Q C 2.379 178.389 176.000 0.017 0.000 0.963 531 Q CA 1.647 57.452 55.803 0.003 0.000 0.866 531 Q CB -0.107 28.623 28.738 -0.014 0.000 0.931 531 Q HN 0.630 nan 8.270 nan 0.000 0.452 532 S N 0.407 116.122 115.700 0.024 0.000 2.406 532 S HA -0.115 4.355 4.470 0.000 0.000 0.228 532 S C 0.860 175.488 174.600 0.048 0.000 1.020 532 S CA 0.412 58.638 58.200 0.043 0.000 0.965 532 S CB -0.059 63.180 63.200 0.064 0.000 0.798 532 S HN 0.343 nan 8.310 nan 0.000 0.488 533 R N 0.408 120.938 120.500 0.049 0.000 3.863 533 R HA -0.119 4.221 4.340 0.000 0.000 0.313 533 R C -0.897 175.440 176.300 0.063 0.000 1.202 533 R CA 1.091 57.224 56.100 0.055 0.000 0.852 533 R CB -2.034 28.294 30.300 0.048 0.000 1.292 533 R HN 0.564 nan 8.270 nan 0.000 0.519 534 K N 0.955 121.398 120.400 0.071 0.000 2.138 534 K HA 0.334 4.654 4.320 0.000 0.000 0.263 534 K C -2.423 174.232 176.600 0.092 0.000 0.965 534 K CA -2.141 54.193 56.287 0.079 0.000 0.868 534 K CB 1.077 33.627 32.500 0.083 0.000 1.083 534 K HN -0.254 nan 8.250 nan 0.000 0.443 535 P HA -0.049 nan 4.420 nan 0.000 0.260 535 P C -1.131 176.243 177.300 0.124 0.000 1.185 535 P CA 0.448 63.612 63.100 0.108 0.000 0.763 535 P CB 0.421 32.185 31.700 0.105 0.000 0.776 536 T N 4.066 118.700 114.554 0.135 0.000 2.993 536 T HA 0.510 4.860 4.350 0.000 0.000 0.312 536 T C -0.221 174.567 174.700 0.147 0.000 1.115 536 T CA -0.410 61.785 62.100 0.157 0.000 1.027 536 T CB 0.985 69.968 68.868 0.191 0.000 1.116 536 T HN 0.124 nan 8.240 nan 0.000 0.464 537 I N 2.923 123.581 120.570 0.146 0.000 2.354 537 I HA 0.469 4.639 4.170 0.000 0.000 0.292 537 I C -0.518 175.685 176.117 0.144 0.000 0.989 537 I CA -0.859 60.504 61.300 0.104 0.000 1.188 537 I CB 1.319 39.360 38.000 0.069 0.000 1.342 537 I HN 0.495 nan 8.210 nan 0.000 0.457 538 I N 6.423 127.055 120.570 0.102 0.000 2.328 538 I HA 0.215 4.385 4.170 0.000 0.000 0.287 538 I C 0.096 176.240 176.117 0.045 0.000 1.012 538 I CA -0.399 60.965 61.300 0.106 0.000 1.195 538 I CB 0.848 38.884 38.000 0.060 0.000 1.350 538 I HN 0.559 nan 8.210 nan 0.000 0.464 539 N N 6.847 125.585 118.700 0.064 0.000 2.422 539 N HA 0.230 4.970 4.740 0.000 0.000 0.264 539 N C -1.207 174.300 175.510 -0.005 0.000 1.063 539 N CA -0.166 52.911 53.050 0.045 0.000 0.959 539 N CB 1.481 40.029 38.487 0.102 0.000 1.087 539 N HN 0.264 nan 8.380 nan 0.000 0.483 540 V N 4.268 124.131 119.914 -0.085 0.000 2.357 540 V HA 0.233 4.353 4.120 0.000 0.000 0.284 540 V C 0.221 176.194 176.094 -0.202 0.000 1.018 540 V CA -0.887 61.286 62.300 -0.212 0.000 0.841 540 V CB 1.537 33.053 31.823 -0.511 0.000 0.991 540 V HN 0.355 nan 8.190 nan 0.000 0.437 541 V N 6.601 126.431 119.914 -0.140 0.000 2.455 541 V HA 0.361 4.481 4.120 0.000 0.000 0.273 541 V C 0.105 176.099 176.094 -0.168 0.000 1.045 541 V CA -0.082 62.160 62.300 -0.097 0.000 0.976 541 V CB 0.933 32.754 31.823 -0.003 0.000 0.993 541 V HN 0.550 nan 8.190 nan 0.000 0.475 542 I N 3.336 123.792 120.570 -0.190 0.000 2.530 542 I HA 0.329 4.499 4.170 0.000 0.000 0.297 542 I C 0.145 176.160 176.117 -0.171 0.000 1.011 542 I CA -0.618 60.529 61.300 -0.256 0.000 1.107 542 I CB 1.858 39.620 38.000 -0.396 0.000 1.285 542 I HN 0.571 nan 8.210 nan 0.000 0.436 543 D N 8.572 128.889 120.400 -0.139 0.000 2.520 543 D HA -0.002 4.639 4.640 0.000 0.000 0.243 543 D C -1.424 174.845 176.300 -0.052 0.000 1.160 543 D CA -1.081 52.877 54.000 -0.069 0.000 0.877 543 D CB 1.320 42.102 40.800 -0.030 0.000 1.150 543 D HN 0.263 nan 8.370 nan 0.000 0.494 544 P HA -0.118 nan 4.420 nan 0.000 0.223 544 P C 0.410 177.736 177.300 0.045 0.000 1.144 544 P CA 0.841 63.928 63.100 -0.021 0.000 0.783 544 P CB 0.288 31.954 31.700 -0.057 0.000 0.771 545 A N -1.044 121.807 122.820 0.052 0.000 2.431 545 A HA 0.546 4.866 4.320 0.000 0.000 0.239 545 A C 2.120 179.776 177.584 0.120 0.000 1.230 545 A CA 0.536 52.621 52.037 0.081 0.000 0.928 545 A CB -0.416 18.620 19.000 0.060 0.000 1.006 545 A HN 0.129 nan 8.150 nan 0.000 0.520 546 A N 0.388 123.293 122.820 0.141 0.000 1.972 546 A HA 0.316 4.637 4.320 0.000 0.000 0.219 546 A C 1.600 179.403 177.584 0.365 0.000 1.169 546 A CA 1.196 53.372 52.037 0.231 0.000 0.635 546 A CB -0.904 18.199 19.000 0.173 0.000 0.810 546 A HN 0.738 nan 8.150 nan 0.000 0.446 547 G N -0.649 108.394 108.800 0.406 0.000 2.572 547 G HA2 0.434 4.394 3.960 0.000 0.000 0.261 547 G HA3 0.434 4.394 3.960 0.000 0.000 0.261 547 G C 0.153 175.146 174.900 0.155 0.000 1.197 547 G CA 0.441 45.722 45.100 0.301 0.000 0.870 547 G HN 0.569 nan 8.290 nan 0.000 0.548 548 T N -1.616 112.983 114.554 0.075 0.000 2.925 548 T HA 0.578 4.928 4.350 0.000 0.000 0.285 548 T C -0.015 174.651 174.700 -0.058 0.000 1.021 548 T CA -0.738 61.373 62.100 0.019 0.000 1.042 548 T CB 2.474 71.344 68.868 0.003 0.000 1.037 548 T HN 0.606 nan 8.240 nan 0.000 0.481 549 E N 0.000 120.104 120.200 -0.160 0.000 2.725 549 E HA 0.000 4.350 4.350 0.000 0.000 0.291 549 E CA 0.000 56.097 56.400 -0.505 0.000 0.976 549 E CB 0.000 29.490 29.700 -0.349 0.000 0.812 549 E HN 0.000 nan 8.360 nan 0.000 0.440