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 2fvm_1_A DATA FIRST_RESID 2 DATA SEQUENCE PIYDLIIKNG IICTASDIYA AEIAVNNGKV QLIAASIDPS LGSEVIDAEG DATA SEQUENCE AFITPGGIDA HVHVDEPLKL LGDVVDTMEH ATRSAVAGGT TTVVAFSTQD DATA SEQUENCE VSKKGPSALA ESVKLDVDEY SEQTLYCDYG LHLILFQIEK PSVEARELLD DATA SEQUENCE VQLQAAYNDY GVSSVXMFMT YPGLQISDYD IMSAMYATRK NGFTTMLHAE DATA SEQUENCE NGDMVKWMIE ALEEQGLTDA YYHGVSRPSI VEGEATNRAI TLATTMDTPI DATA SEQUENCE LFVHVSSPQA AEVIKQAQTK GLKVYAETCP QYALLSDAIT RCHXXXXXXX DATA SEQUENCE XGVGIDLSSI SESPFTNPDD RFIGSKYICS PPIRPEGTQK SIWKGMNNGT DATA SEQUENCE FTIVGSDHCS YNYYEKTSTA SKHRAFDPEN NKNGEFRYIP NGLPGVCTRM DATA SEQUENCE PLLYDYGYLR GNLTSMMKLV EIQCTNPAKV YGMYPQKGSI LPGVSDADLV DATA SEQUENCE IWYPDDSKKE YNSKPKLITN KLMEHNCDYT PFEGIEIKNW PRYTIVKGKI DATA SEQUENCE VYKEGEILKE NADGKYLKRG KSFMCTPKNE WVTEWRPKYE 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.234 177.300 -0.110 0.000 1.155 2 P CA 0.000 63.062 63.100 -0.063 0.000 0.800 2 P CB 0.000 31.683 31.700 -0.028 0.000 0.726 3 I N -3.167 117.269 120.570 -0.223 0.000 2.500 3 I HA 0.103 4.273 4.170 -0.000 0.000 0.252 3 I C -0.268 175.611 176.117 -0.397 0.000 1.142 3 I CA 0.886 61.956 61.300 -0.384 0.000 1.451 3 I CB -0.236 37.405 38.000 -0.597 0.000 1.093 3 I HN 0.187 nan 8.210 nan 0.000 0.430 4 Y N 1.328 121.622 120.300 -0.010 0.000 2.468 4 Y HA 0.341 4.890 4.550 -0.000 0.000 0.342 4 Y C 0.767 176.660 175.900 -0.013 0.000 1.021 4 Y CA -1.179 56.913 58.100 -0.012 0.000 1.079 4 Y CB 1.128 39.579 38.460 -0.015 0.000 1.226 4 Y HN -0.162 nan 8.280 nan 0.000 0.460 5 D N 0.913 121.409 120.400 0.161 0.000 2.144 5 D HA -0.050 4.590 4.640 -0.000 0.000 0.200 5 D C -0.289 176.048 176.300 0.062 0.000 0.978 5 D CA 1.586 55.634 54.000 0.080 0.000 0.833 5 D CB 0.352 41.184 40.800 0.052 0.000 0.961 5 D HN 0.213 nan 8.370 nan 0.000 0.470 6 L N 0.019 121.279 121.223 0.061 0.000 2.513 6 L HA 0.414 4.754 4.340 -0.000 0.000 0.261 6 L C -1.792 175.064 176.870 -0.023 0.000 0.945 6 L CA -0.547 54.297 54.840 0.006 0.000 0.848 6 L CB 2.109 44.154 42.059 -0.023 0.000 1.334 6 L HN -0.217 nan 8.230 nan 0.000 0.407 7 I N 5.596 126.146 120.570 -0.034 0.000 2.466 7 I HA 0.469 4.639 4.170 -0.000 0.000 0.289 7 I C -0.692 175.372 176.117 -0.088 0.000 1.026 7 I CA -0.521 60.743 61.300 -0.060 0.000 1.078 7 I CB 1.951 39.943 38.000 -0.014 0.000 1.249 7 I HN 0.461 nan 8.210 nan 0.000 0.429 8 I N 6.452 126.958 120.570 -0.106 0.000 2.307 8 I HA 0.353 4.523 4.170 -0.000 0.000 0.289 8 I C -0.102 175.961 176.117 -0.089 0.000 1.021 8 I CA -0.493 60.735 61.300 -0.120 0.000 1.224 8 I CB 0.649 38.571 38.000 -0.131 0.000 1.376 8 I HN 0.476 nan 8.210 nan 0.000 0.470 9 K N 4.848 125.201 120.400 -0.078 0.000 2.166 9 K HA 0.445 4.765 4.320 -0.000 0.000 0.245 9 K C 0.201 176.775 176.600 -0.043 0.000 0.967 9 K CA -0.854 55.403 56.287 -0.050 0.000 0.863 9 K CB 1.020 33.500 32.500 -0.033 0.000 1.107 9 K HN 0.500 nan 8.250 nan 0.000 0.436 10 N N -0.560 118.123 118.700 -0.029 0.000 2.708 10 N HA -0.153 4.587 4.740 -0.000 0.000 0.251 10 N C -0.230 175.265 175.510 -0.025 0.000 1.123 10 N CA 1.256 54.295 53.050 -0.019 0.000 0.739 10 N CB -1.326 37.157 38.487 -0.007 0.000 1.113 10 N HN 0.855 nan 8.380 nan 0.000 0.561 11 G N -0.490 108.287 108.800 -0.038 0.000 2.491 11 G HA2 0.698 4.658 3.960 -0.000 0.000 0.327 11 G HA3 0.698 4.658 3.960 -0.000 0.000 0.327 11 G C -0.126 174.751 174.900 -0.037 0.000 1.189 11 G CA -0.503 44.577 45.100 -0.034 0.000 0.956 11 G HN 0.124 nan 8.290 nan 0.000 0.491 12 I N 1.285 121.857 120.570 0.002 0.000 2.354 12 I HA 0.287 4.457 4.170 -0.000 0.000 0.286 12 I C 0.142 176.293 176.117 0.057 0.000 1.007 12 I CA -0.747 60.577 61.300 0.039 0.000 1.167 12 I CB 1.096 39.184 38.000 0.146 0.000 1.320 12 I HN 0.273 nan 8.210 nan 0.000 0.458 13 I N 5.296 125.754 120.570 -0.186 0.000 2.471 13 I HA 0.088 4.258 4.170 -0.000 0.000 0.286 13 I C 0.283 176.320 176.117 -0.134 0.000 1.079 13 I CA 0.190 61.346 61.300 -0.240 0.000 1.398 13 I CB 0.945 38.603 38.000 -0.571 0.000 1.403 13 I HN 0.549 nan 8.210 nan 0.000 0.530 14 C N 6.610 125.875 119.300 -0.059 0.000 2.345 14 C HA 0.710 5.170 4.460 -0.000 0.000 0.323 14 C C 0.607 175.575 174.990 -0.037 0.000 1.276 14 C CA -0.119 58.842 59.018 -0.095 0.000 1.543 14 C CB 0.490 28.064 27.740 -0.277 0.000 2.211 14 C HN 0.948 nan 8.230 nan 0.000 0.493 15 T N 1.986 116.541 114.554 0.002 0.000 2.762 15 T HA 0.632 4.982 4.350 -0.000 0.000 0.272 15 T C 1.033 175.730 174.700 -0.006 0.000 0.982 15 T CA 0.135 62.250 62.100 0.026 0.000 1.013 15 T CB 1.247 70.163 68.868 0.080 0.000 1.309 15 T HN 0.910 nan 8.240 nan 0.000 0.572 16 A N 0.197 123.022 122.820 0.009 0.000 2.168 16 A HA 0.209 4.528 4.320 -0.000 0.000 0.215 16 A C 1.980 179.557 177.584 -0.013 0.000 1.152 16 A CA 1.417 53.449 52.037 -0.008 0.000 0.716 16 A CB -0.943 18.056 19.000 -0.002 0.000 0.794 16 A HN 1.294 nan 8.150 nan 0.000 0.465 17 S N -2.330 113.370 115.700 -0.000 0.000 2.817 17 S HA 0.257 4.727 4.470 -0.000 0.000 0.262 17 S C -0.516 174.086 174.600 0.002 0.000 1.051 17 S CA -0.418 57.779 58.200 -0.005 0.000 1.185 17 S CB 0.380 63.577 63.200 -0.005 0.000 1.152 17 S HN 0.297 nan 8.310 nan 0.000 0.653 18 D N 0.987 121.406 120.400 0.030 0.000 2.753 18 D HA 0.497 5.137 4.640 -0.000 0.000 0.224 18 D C -1.292 175.090 176.300 0.135 0.000 1.213 18 D CA -0.343 53.703 54.000 0.077 0.000 0.833 18 D CB 2.221 43.069 40.800 0.081 0.000 1.607 18 D HN 0.204 nan 8.370 nan 0.000 0.463 19 I N 2.082 122.753 120.570 0.168 0.000 2.478 19 I HA 0.398 4.568 4.170 -0.000 0.000 0.287 19 I C -1.229 175.077 176.117 0.314 0.000 1.042 19 I CA -0.857 60.539 61.300 0.160 0.000 1.067 19 I CB 1.440 39.457 38.000 0.028 0.000 1.233 19 I HN 0.381 nan 8.210 nan 0.000 0.431 20 Y N 3.958 124.288 120.300 0.051 0.000 2.604 20 Y HA 0.765 5.314 4.550 -0.000 0.000 0.331 20 Y C -1.095 174.842 175.900 0.061 0.000 1.158 20 Y CA -1.392 56.739 58.100 0.051 0.000 1.056 20 Y CB 1.046 39.523 38.460 0.028 0.000 1.330 20 Y HN 0.530 nan 8.280 nan 0.000 0.457 21 A N 2.206 125.069 122.820 0.073 0.000 2.347 21 A HA 0.842 5.161 4.320 -0.000 0.000 0.287 21 A C -0.131 177.445 177.584 -0.013 0.000 1.199 21 A CA 0.513 52.544 52.037 -0.011 0.000 0.851 21 A CB -0.621 18.402 19.000 0.037 0.000 1.118 21 A HN 1.789 nan 8.150 nan 0.000 0.525 22 A N 2.975 125.721 122.820 -0.123 0.000 2.586 22 A HA 0.737 5.057 4.320 -0.000 0.000 0.290 22 A C -0.865 176.669 177.584 -0.084 0.000 1.086 22 A CA -0.738 51.263 52.037 -0.061 0.000 0.665 22 A CB 0.882 19.871 19.000 -0.019 0.000 1.279 22 A HN 0.736 nan 8.150 nan 0.000 0.423 23 E N -0.221 119.951 120.200 -0.047 0.000 2.244 23 E HA 0.691 5.041 4.350 -0.000 0.000 0.266 23 E C -1.312 175.245 176.600 -0.072 0.000 0.914 23 E CA -0.631 55.733 56.400 -0.060 0.000 0.794 23 E CB 2.379 32.055 29.700 -0.041 0.000 1.210 23 E HN 0.494 nan 8.360 nan 0.000 0.414 24 I N 1.258 121.772 120.570 -0.094 0.000 2.465 24 I HA 0.483 4.653 4.170 -0.000 0.000 0.291 24 I C -0.568 175.449 176.117 -0.166 0.000 1.014 24 I CA -0.828 60.402 61.300 -0.118 0.000 1.093 24 I CB 1.928 39.866 38.000 -0.103 0.000 1.267 24 I HN 0.478 nan 8.210 nan 0.000 0.431 25 A N 5.941 128.605 122.820 -0.260 0.000 2.324 25 A HA 0.864 5.184 4.320 -0.000 0.000 0.330 25 A C -0.834 176.537 177.584 -0.356 0.000 1.165 25 A CA -0.525 51.251 52.037 -0.435 0.000 0.813 25 A CB 1.422 19.839 19.000 -0.971 0.000 1.197 25 A HN 0.456 nan 8.150 nan 0.000 0.484 26 V N 2.317 122.081 119.914 -0.250 0.000 2.638 26 V HA 0.580 4.700 4.120 -0.000 0.000 0.306 26 V C -0.642 175.441 176.094 -0.019 0.000 1.052 26 V CA -0.578 61.652 62.300 -0.117 0.000 0.885 26 V CB 2.061 33.841 31.823 -0.072 0.000 0.999 26 V HN 1.033 nan 8.190 nan 0.000 0.424 27 N N 2.626 121.337 118.700 0.019 0.000 2.367 27 N HA 0.398 5.138 4.740 -0.000 0.000 0.278 27 N C -0.209 175.327 175.510 0.042 0.000 1.117 27 N CA -0.456 52.643 53.050 0.082 0.000 0.867 27 N CB 1.391 39.997 38.487 0.198 0.000 1.649 27 N HN 0.590 nan 8.380 nan 0.000 0.479 28 N N 1.907 120.628 118.700 0.035 0.000 2.721 28 N HA -0.179 4.560 4.740 -0.000 0.000 0.249 28 N C 0.598 176.111 175.510 0.005 0.000 1.072 28 N CA 2.149 55.210 53.050 0.018 0.000 0.710 28 N CB -1.172 37.326 38.487 0.018 0.000 0.993 28 N HN 1.062 nan 8.380 nan 0.000 0.547 29 G N -1.865 106.936 108.800 0.002 0.000 2.179 29 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.260 29 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.260 29 G C 0.116 175.007 174.900 -0.016 0.000 0.977 29 G CA 0.882 45.978 45.100 -0.007 0.000 0.641 29 G HN 0.642 nan 8.290 nan 0.000 0.533 30 K N -0.629 119.760 120.400 -0.018 0.000 2.443 30 K HA 0.650 4.970 4.320 -0.000 0.000 0.251 30 K C 0.232 176.807 176.600 -0.042 0.000 0.972 30 K CA -0.880 55.389 56.287 -0.030 0.000 0.833 30 K CB 2.743 35.225 32.500 -0.029 0.000 1.317 30 K HN 0.077 nan 8.250 nan 0.000 0.441 31 V N 3.462 123.346 119.914 -0.051 0.000 2.529 31 V HA -0.044 4.075 4.120 -0.000 0.000 0.292 31 V C 0.638 176.688 176.094 -0.073 0.000 1.028 31 V CA 0.356 62.615 62.300 -0.069 0.000 1.074 31 V CB 1.003 32.792 31.823 -0.057 0.000 0.958 31 V HN 0.723 nan 8.190 nan 0.000 0.481 32 Q N 3.328 123.058 119.800 -0.117 0.000 2.402 32 Q HA 0.438 4.778 4.340 -0.000 0.000 0.231 32 Q C -0.007 175.926 176.000 -0.111 0.000 0.888 32 Q CA 0.422 56.162 55.803 -0.106 0.000 0.938 32 Q CB 1.108 29.766 28.738 -0.134 0.000 1.086 32 Q HN 0.712 nan 8.270 nan 0.000 0.543 33 L N 0.025 121.156 121.223 -0.154 0.000 2.592 33 L HA 0.455 4.795 4.340 -0.000 0.000 0.258 33 L C -1.842 174.969 176.870 -0.098 0.000 0.926 33 L CA -0.366 54.401 54.840 -0.121 0.000 0.885 33 L CB 1.793 43.748 42.059 -0.175 0.000 1.380 33 L HN -0.091 nan 8.230 nan 0.000 0.415 34 I N 4.158 124.706 120.570 -0.037 0.000 2.433 34 I HA 0.870 5.039 4.170 -0.000 0.000 0.292 34 I C -0.203 175.925 176.117 0.019 0.000 1.001 34 I CA -0.315 60.983 61.300 -0.003 0.000 1.119 34 I CB 1.867 39.901 38.000 0.056 0.000 1.289 34 I HN 0.722 nan 8.210 nan 0.000 0.438 35 A N 3.822 126.652 122.820 0.018 0.000 2.602 35 A HA 0.798 5.118 4.320 -0.000 0.000 0.290 35 A C 0.404 178.010 177.584 0.037 0.000 1.114 35 A CA 0.024 52.081 52.037 0.033 0.000 0.683 35 A CB 1.051 20.063 19.000 0.020 0.000 1.281 35 A HN 0.768 nan 8.150 nan 0.000 0.416 36 A N 0.053 122.900 122.820 0.045 0.000 1.908 36 A HA 0.311 4.631 4.320 -0.000 0.000 0.218 36 A C 1.184 178.782 177.584 0.024 0.000 1.181 36 A CA 2.361 54.424 52.037 0.043 0.000 0.627 36 A CB -0.358 18.667 19.000 0.042 0.000 0.818 36 A HN 1.830 nan 8.150 nan 0.000 0.445 37 S N -1.488 114.224 115.700 0.021 0.000 2.649 37 S HA 0.589 5.058 4.470 -0.000 0.000 0.274 37 S C -1.246 173.366 174.600 0.020 0.000 1.176 37 S CA -0.600 57.609 58.200 0.016 0.000 0.988 37 S CB 0.600 63.811 63.200 0.018 0.000 1.071 37 S HN 0.258 nan 8.310 nan 0.000 0.478 38 I N 3.347 123.928 120.570 0.017 0.000 2.378 38 I HA 0.303 4.473 4.170 -0.000 0.000 0.291 38 I C -0.127 176.016 176.117 0.043 0.000 0.992 38 I CA -0.770 60.552 61.300 0.036 0.000 1.154 38 I CB 1.463 39.477 38.000 0.024 0.000 1.315 38 I HN 0.550 nan 8.210 nan 0.000 0.448 39 D N 9.567 129.999 120.400 0.053 0.000 2.502 39 D HA -0.014 4.626 4.640 -0.000 0.000 0.249 39 D C -1.326 175.002 176.300 0.047 0.000 1.188 39 D CA -1.453 52.572 54.000 0.042 0.000 0.890 39 D CB 1.169 41.991 40.800 0.037 0.000 1.140 39 D HN 0.271 nan 8.370 nan 0.000 0.505 40 P HA -0.154 nan 4.420 nan 0.000 0.221 40 P C 1.060 178.377 177.300 0.029 0.000 1.145 40 P CA 0.813 63.931 63.100 0.029 0.000 0.795 40 P CB -0.029 31.681 31.700 0.017 0.000 0.775 41 S N -0.773 114.940 115.700 0.022 0.000 2.547 41 S HA -0.015 4.454 4.470 -0.000 0.000 0.235 41 S C 1.800 176.405 174.600 0.007 0.000 0.980 41 S CA 0.452 58.659 58.200 0.012 0.000 0.941 41 S CB -1.382 61.820 63.200 0.004 0.000 0.763 41 S HN 0.138 nan 8.310 nan 0.000 0.532 42 L N 0.883 122.122 121.223 0.027 0.000 2.509 42 L HA 0.313 4.653 4.340 -0.000 0.000 0.222 42 L C 1.302 178.200 176.870 0.048 0.000 1.123 42 L CA 0.138 54.983 54.840 0.009 0.000 0.856 42 L CB -0.456 41.638 42.059 0.059 0.000 0.985 42 L HN 0.442 nan 8.230 nan 0.000 0.456 43 G N -1.602 107.247 108.800 0.082 0.000 2.452 43 G HA2 0.353 4.312 3.960 -0.000 0.000 0.324 43 G HA3 0.353 4.312 3.960 -0.000 0.000 0.324 43 G C 0.339 175.267 174.900 0.046 0.000 1.214 43 G CA -0.292 44.867 45.100 0.098 0.000 0.947 43 G HN -0.119 nan 8.290 nan 0.000 0.478 44 S N 0.203 115.929 115.700 0.043 0.000 2.406 44 S HA -0.001 4.469 4.470 -0.000 0.000 0.228 44 S C 0.783 175.395 174.600 0.021 0.000 1.020 44 S CA 1.030 59.245 58.200 0.025 0.000 0.965 44 S CB 0.063 63.277 63.200 0.023 0.000 0.798 44 S HN 0.689 nan 8.310 nan 0.000 0.488 45 E N 0.265 120.478 120.200 0.022 0.000 2.292 45 E HA 0.513 4.862 4.350 -0.000 0.000 0.272 45 E C -1.847 174.750 176.600 -0.006 0.000 0.881 45 E CA -0.454 55.951 56.400 0.008 0.000 0.754 45 E CB 1.847 31.551 29.700 0.007 0.000 1.201 45 E HN -0.105 nan 8.360 nan 0.000 0.425 46 V N 5.496 125.400 119.914 -0.017 0.000 2.487 46 V HA 0.454 4.574 4.120 -0.000 0.000 0.298 46 V C -0.330 175.722 176.094 -0.070 0.000 1.028 46 V CA -0.637 61.642 62.300 -0.036 0.000 0.860 46 V CB 1.515 33.329 31.823 -0.014 0.000 0.991 46 V HN 0.652 nan 8.190 nan 0.000 0.427 47 I N 3.541 124.031 120.570 -0.133 0.000 2.362 47 I HA 0.354 4.523 4.170 -0.000 0.000 0.289 47 I C -0.529 175.494 176.117 -0.157 0.000 0.994 47 I CA -0.383 60.782 61.300 -0.224 0.000 1.158 47 I CB 1.721 39.429 38.000 -0.487 0.000 1.315 47 I HN 0.552 nan 8.210 nan 0.000 0.451 48 D N 5.714 126.061 120.400 -0.089 0.000 2.365 48 D HA 0.289 4.928 4.640 -0.000 0.000 0.237 48 D C 0.800 177.080 176.300 -0.033 0.000 1.190 48 D CA -0.209 53.767 54.000 -0.039 0.000 0.867 48 D CB 1.761 42.566 40.800 0.009 0.000 1.050 48 D HN 0.637 nan 8.370 nan 0.000 0.491 49 A N 3.949 126.737 122.820 -0.052 0.000 2.168 49 A HA -0.020 4.299 4.320 -0.000 0.000 0.215 49 A C 0.864 178.454 177.584 0.011 0.000 1.152 49 A CA 0.441 52.456 52.037 -0.035 0.000 0.716 49 A CB -0.500 18.470 19.000 -0.049 0.000 0.794 49 A HN 0.798 nan 8.150 nan 0.000 0.465 50 E N -2.647 117.570 120.200 0.029 0.000 2.360 50 E HA -0.254 4.096 4.350 -0.000 0.000 0.238 50 E C 0.839 177.460 176.600 0.035 0.000 1.186 50 E CA 0.389 56.824 56.400 0.059 0.000 0.719 50 E CB -2.110 27.672 29.700 0.136 0.000 1.236 50 E HN 1.504 nan 8.360 nan 0.000 0.386 51 G N -1.547 107.252 108.800 -0.002 0.000 2.179 51 G HA2 -0.307 3.652 3.960 -0.000 0.000 0.260 51 G HA3 -0.307 3.652 3.960 -0.000 0.000 0.260 51 G C 0.414 175.251 174.900 -0.105 0.000 0.977 51 G CA 0.362 45.437 45.100 -0.041 0.000 0.641 51 G HN 0.973 nan 8.290 nan 0.000 0.533 52 A N -0.383 122.399 122.820 -0.064 0.000 2.313 52 A HA 0.716 5.036 4.320 -0.000 0.000 0.261 52 A C 0.344 177.899 177.584 -0.048 0.000 1.090 52 A CA -0.323 51.666 52.037 -0.080 0.000 0.807 52 A CB 0.306 19.326 19.000 0.033 0.000 1.055 52 A HN 0.620 nan 8.150 nan 0.000 0.492 53 F N -0.246 119.791 119.950 0.144 0.000 2.518 53 F HA 0.290 4.817 4.527 -0.000 0.000 0.359 53 F C 0.406 176.327 175.800 0.201 0.000 1.118 53 F CA 0.453 58.526 58.000 0.122 0.000 1.287 53 F CB 0.527 39.575 39.000 0.080 0.000 1.132 53 F HN 0.250 nan 8.300 nan 0.000 0.587 54 I N 2.387 123.153 120.570 0.326 0.000 2.362 54 I HA 0.288 4.458 4.170 -0.000 0.000 0.289 54 I C -0.092 176.140 176.117 0.192 0.000 0.994 54 I CA -0.457 60.971 61.300 0.214 0.000 1.158 54 I CB 1.737 39.775 38.000 0.063 0.000 1.315 54 I HN 0.584 nan 8.210 nan 0.000 0.451 55 T N 3.217 117.918 114.554 0.246 0.000 2.950 55 T HA 0.634 4.984 4.350 -0.000 0.000 0.288 55 T C -2.778 171.988 174.700 0.110 0.000 1.035 55 T CA -2.488 59.720 62.100 0.180 0.000 1.028 55 T CB 1.884 70.933 68.868 0.301 0.000 1.109 55 T HN 0.111 nan 8.240 nan 0.000 0.514 56 P HA 0.302 nan 4.420 nan 0.000 0.270 56 P C 0.573 177.908 177.300 0.057 0.000 1.223 56 P CA -0.079 63.053 63.100 0.054 0.000 0.785 56 P CB -0.008 31.725 31.700 0.055 0.000 0.923 57 G N 0.906 109.722 108.800 0.026 0.000 2.484 57 G HA2 0.360 4.320 3.960 -0.000 0.000 0.235 57 G HA3 0.360 4.320 3.960 -0.000 0.000 0.235 57 G C 0.460 175.376 174.900 0.028 0.000 1.282 57 G CA -0.093 45.012 45.100 0.008 0.000 0.857 57 G HN 0.603 nan 8.290 nan 0.000 0.571 58 G N -0.419 108.393 108.800 0.020 0.000 2.491 58 G HA2 0.431 4.391 3.960 -0.000 0.000 0.242 58 G HA3 0.431 4.391 3.960 -0.000 0.000 0.242 58 G C -0.197 174.718 174.900 0.025 0.000 1.266 58 G CA -0.518 44.603 45.100 0.035 0.000 0.844 58 G HN 0.632 nan 8.290 nan 0.000 0.571 59 I N 1.582 122.178 120.570 0.043 0.000 2.411 59 I HA 0.160 4.330 4.170 -0.000 0.000 0.284 59 I C -1.012 175.143 176.117 0.063 0.000 1.012 59 I CA -0.676 60.651 61.300 0.045 0.000 1.119 59 I CB 1.964 40.000 38.000 0.060 0.000 1.261 59 I HN 0.302 nan 8.210 nan 0.000 0.448 60 D N 5.853 126.281 120.400 0.048 0.000 2.412 60 D HA 0.395 5.035 4.640 -0.000 0.000 0.224 60 D C 0.443 176.788 176.300 0.075 0.000 1.093 60 D CA -0.236 53.809 54.000 0.075 0.000 0.850 60 D CB 1.835 42.667 40.800 0.053 0.000 1.046 60 D HN 0.624 nan 8.370 nan 0.000 0.507 61 A N 3.758 126.655 122.820 0.128 0.000 2.415 61 A HA 0.060 4.380 4.320 -0.000 0.000 0.248 61 A C 0.408 178.087 177.584 0.160 0.000 1.299 61 A CA -0.111 51.969 52.037 0.072 0.000 0.899 61 A CB -0.377 18.690 19.000 0.110 0.000 0.997 61 A HN 0.695 nan 8.150 nan 0.000 0.506 62 H N -0.625 118.529 119.070 0.140 0.000 2.429 62 H HA 0.500 5.056 4.556 -0.000 0.000 0.231 62 H C -1.707 173.741 175.328 0.200 0.000 1.416 62 H CA -0.307 55.892 56.048 0.251 0.000 1.443 62 H CB 0.716 30.628 29.762 0.250 0.000 1.591 62 H HN 0.064 nan 8.280 nan 0.000 0.507 63 V N 3.434 123.534 119.914 0.310 0.000 2.604 63 V HA 0.258 4.377 4.120 -0.000 0.000 0.305 63 V C -0.341 175.849 176.094 0.160 0.000 1.043 63 V CA -0.835 61.599 62.300 0.224 0.000 0.888 63 V CB 1.730 33.612 31.823 0.100 0.000 0.995 63 V HN 0.672 nan 8.190 nan 0.000 0.429 64 H N 3.414 122.737 119.070 0.423 0.000 2.511 64 H HA 0.645 5.201 4.556 -0.000 0.000 0.328 64 H C -0.368 175.097 175.328 0.227 0.000 1.044 64 H CA -0.278 55.965 56.048 0.325 0.000 1.212 64 H CB 2.101 31.991 29.762 0.212 0.000 1.428 64 H HN 0.588 nan 8.280 nan 0.000 0.483 65 V N 0.091 120.172 119.914 0.278 0.000 3.046 65 V HA 0.313 4.433 4.120 -0.000 0.000 0.316 65 V C 0.157 176.361 176.094 0.184 0.000 1.104 65 V CA -1.246 61.151 62.300 0.161 0.000 1.006 65 V CB 2.188 34.002 31.823 -0.016 0.000 1.058 65 V HN 0.544 nan 8.190 nan 0.000 0.440 66 D N 1.885 122.376 120.400 0.152 0.000 2.487 66 D HA 0.344 4.984 4.640 -0.000 0.000 0.243 66 D C -0.108 176.336 176.300 0.239 0.000 1.154 66 D CA 0.641 54.741 54.000 0.167 0.000 0.876 66 D CB 0.497 41.384 40.800 0.145 0.000 1.161 66 D HN 0.935 nan 8.370 nan 0.000 0.478 67 E N 2.428 122.745 120.200 0.196 0.000 2.369 67 E HA 0.474 4.823 4.350 -0.000 0.000 0.270 67 E C -2.392 174.262 176.600 0.090 0.000 0.909 67 E CA -1.718 54.784 56.400 0.170 0.000 0.775 67 E CB 1.091 30.913 29.700 0.205 0.000 1.270 67 E HN 0.054 nan 8.360 nan 0.000 0.445 68 P HA -0.041 nan 4.420 nan 0.000 0.220 68 P C 0.687 178.007 177.300 0.033 0.000 1.148 68 P CA 0.937 64.049 63.100 0.020 0.000 0.803 68 P CB 0.205 31.893 31.700 -0.020 0.000 0.782 69 L N -0.853 120.400 121.223 0.048 0.000 2.554 69 L HA 0.067 4.407 4.340 -0.000 0.000 0.226 69 L C 0.452 177.348 176.870 0.044 0.000 1.137 69 L CA 0.230 55.102 54.840 0.054 0.000 0.863 69 L CB -0.694 41.414 42.059 0.082 0.000 0.985 69 L HN 0.001 nan 8.230 nan 0.000 0.451 70 K N -0.098 120.332 120.400 0.050 0.000 3.148 70 K HA -0.236 4.084 4.320 -0.000 0.000 0.267 70 K C 1.030 177.632 176.600 0.003 0.000 0.996 70 K CA 0.398 56.709 56.287 0.039 0.000 0.737 70 K CB -1.952 30.566 32.500 0.031 0.000 1.308 70 K HN 0.212 nan 8.250 nan 0.000 0.470 71 L N 0.261 121.482 121.223 -0.003 0.000 2.042 71 L HA -0.127 4.213 4.340 -0.000 0.000 0.210 71 L C 1.540 178.331 176.870 -0.131 0.000 1.076 71 L CA 1.901 56.687 54.840 -0.089 0.000 0.749 71 L CB -0.055 41.962 42.059 -0.070 0.000 0.893 71 L HN 0.475 nan 8.230 nan 0.000 0.432 72 L N -0.103 121.081 121.223 -0.064 0.000 2.912 72 L HA 0.414 4.754 4.340 -0.000 0.000 0.240 72 L C 1.079 177.980 176.870 0.053 0.000 1.262 72 L CA -0.127 54.683 54.840 -0.050 0.000 1.058 72 L CB -1.179 40.864 42.059 -0.026 0.000 1.383 72 L HN 0.422 nan 8.230 nan 0.000 0.512 73 G N 0.396 109.204 108.800 0.014 0.000 2.641 73 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.254 73 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.254 73 G C -0.443 174.522 174.900 0.109 0.000 1.315 73 G CA -0.549 44.579 45.100 0.047 0.000 0.907 73 G HN 0.346 nan 8.290 nan 0.000 0.572 74 D N 0.228 120.702 120.400 0.124 0.000 2.351 74 D HA 0.418 5.058 4.640 -0.000 0.000 0.251 74 D C 0.421 176.836 176.300 0.193 0.000 1.137 74 D CA 0.155 54.234 54.000 0.132 0.000 0.879 74 D CB 1.616 42.477 40.800 0.101 0.000 1.181 74 D HN 0.374 nan 8.370 nan 0.000 0.448 75 V N 2.360 122.335 119.914 0.101 0.000 2.581 75 V HA 0.053 4.173 4.120 -0.000 0.000 0.303 75 V C 1.640 177.722 176.094 -0.020 0.000 1.041 75 V CA -0.725 61.551 62.300 -0.040 0.000 0.907 75 V CB 1.776 33.559 31.823 -0.066 0.000 0.994 75 V HN 0.469 nan 8.190 nan 0.000 0.442 76 V N -0.324 119.537 119.914 -0.088 0.000 2.515 76 V HA 0.002 4.121 4.120 -0.000 0.000 0.250 76 V C 0.572 176.644 176.094 -0.036 0.000 1.058 76 V CA 1.191 63.456 62.300 -0.059 0.000 1.064 76 V CB -0.445 31.314 31.823 -0.107 0.000 0.675 76 V HN 0.790 nan 8.190 nan 0.000 0.461 77 D N 2.356 122.760 120.400 0.007 0.000 2.249 77 D HA 0.432 5.072 4.640 -0.000 0.000 0.246 77 D C 0.713 177.143 176.300 0.216 0.000 1.114 77 D CA 0.522 54.614 54.000 0.153 0.000 0.854 77 D CB 1.669 42.592 40.800 0.204 0.000 1.132 77 D HN 0.669 nan 8.370 nan 0.000 0.461 78 T N -0.608 114.173 114.554 0.379 0.000 2.788 78 T HA 0.104 4.454 4.350 -0.000 0.000 0.280 78 T C 1.358 176.005 174.700 -0.088 0.000 0.984 78 T CA -0.624 61.537 62.100 0.102 0.000 0.972 78 T CB 0.730 69.594 68.868 -0.007 0.000 1.039 78 T HN 0.128 nan 8.240 nan 0.000 0.530 79 M N 0.258 119.654 119.600 -0.340 0.000 2.159 79 M HA -0.016 4.464 4.480 -0.000 0.000 0.263 79 M C 2.235 178.379 176.300 -0.259 0.000 1.063 79 M CA 1.675 56.667 55.300 -0.513 0.000 1.110 79 M CB -1.192 30.735 32.600 -1.123 0.000 1.374 79 M HN 0.938 nan 8.290 nan 0.000 0.411 80 E N -1.102 118.969 120.200 -0.215 0.000 2.049 80 E HA -0.280 4.070 4.350 -0.000 0.000 0.198 80 E C 1.800 178.375 176.600 -0.040 0.000 1.007 80 E CA 2.174 58.505 56.400 -0.116 0.000 0.809 80 E CB -0.262 29.307 29.700 -0.219 0.000 0.749 80 E HN 0.758 nan 8.360 nan 0.000 0.450 81 H N -0.496 118.603 119.070 0.048 0.000 2.357 81 H HA 0.012 4.568 4.556 -0.000 0.000 0.301 81 H C 2.027 177.351 175.328 -0.007 0.000 1.082 81 H CA 1.097 57.165 56.048 0.033 0.000 1.342 81 H CB -0.064 29.725 29.762 0.046 0.000 1.389 81 H HN 0.316 nan 8.280 nan 0.000 0.511 82 A N 0.620 123.481 122.820 0.067 0.000 1.898 82 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 82 A C 2.498 180.024 177.584 -0.097 0.000 1.181 82 A CA 1.971 53.970 52.037 -0.062 0.000 0.620 82 A CB -1.051 17.883 19.000 -0.110 0.000 0.819 82 A HN 0.586 nan 8.150 nan 0.000 0.442 83 T N -2.360 112.165 114.554 -0.048 0.000 2.821 83 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 83 T C 1.994 176.681 174.700 -0.021 0.000 1.046 83 T CA 1.241 63.340 62.100 -0.001 0.000 1.139 83 T CB -0.343 68.573 68.868 0.080 0.000 0.871 83 T HN 0.465 nan 8.240 nan 0.000 0.454 84 R N 0.643 121.077 120.500 -0.110 0.000 2.083 84 R HA -0.087 4.253 4.340 -0.000 0.000 0.237 84 R C 2.815 178.951 176.300 -0.274 0.000 1.137 84 R CA 1.683 57.490 56.100 -0.487 0.000 0.951 84 R CB -0.698 29.199 30.300 -0.673 0.000 0.851 84 R HN 0.450 nan 8.270 nan 0.000 0.434 85 S N -0.340 115.271 115.700 -0.149 0.000 2.368 85 S HA -0.120 4.350 4.470 -0.000 0.000 0.225 85 S C 1.916 176.418 174.600 -0.162 0.000 1.030 85 S CA 1.161 59.289 58.200 -0.120 0.000 0.999 85 S CB -0.224 62.956 63.200 -0.033 0.000 0.844 85 S HN 0.533 nan 8.310 nan 0.000 0.459 86 A N 0.906 123.629 122.820 -0.161 0.000 1.859 86 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 86 A C 2.337 179.804 177.584 -0.195 0.000 1.198 86 A CA 2.089 54.031 52.037 -0.158 0.000 0.629 86 A CB -1.280 17.650 19.000 -0.117 0.000 0.830 86 A HN 0.434 nan 8.150 nan 0.000 0.446 87 V N -0.204 119.600 119.914 -0.183 0.000 2.407 87 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 87 V C 2.982 178.816 176.094 -0.434 0.000 1.055 87 V CA 1.906 64.084 62.300 -0.203 0.000 1.049 87 V CB -1.110 30.669 31.823 -0.072 0.000 0.662 87 V HN 0.641 nan 8.190 nan 0.000 0.455 88 A N -0.095 122.395 122.820 -0.550 0.000 2.125 88 A HA 0.012 4.331 4.320 -0.000 0.000 0.219 88 A C 2.046 179.228 177.584 -0.669 0.000 1.156 88 A CA 1.606 53.030 52.037 -1.022 0.000 0.671 88 A CB -0.521 18.177 19.000 -0.503 0.000 0.794 88 A HN 0.590 nan 8.150 nan 0.000 0.459 89 G N -2.688 105.827 108.800 -0.475 0.000 3.453 89 G HA2 0.416 4.376 3.960 -0.000 0.000 0.263 89 G HA3 0.416 4.376 3.960 -0.000 0.000 0.263 89 G C 0.948 175.510 174.900 -0.564 0.000 1.060 89 G CA 0.409 45.168 45.100 -0.568 0.000 0.793 89 G HN 1.502 nan 8.290 nan 0.000 0.532 90 G N -0.352 108.159 108.800 -0.482 0.000 2.141 90 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.242 90 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.242 90 G C 0.244 175.020 174.900 -0.208 0.000 0.982 90 G CA 0.312 45.173 45.100 -0.398 0.000 0.662 90 G HN 0.563 nan 8.290 nan 0.000 0.527 91 T N 0.968 115.419 114.554 -0.172 0.000 2.767 91 T HA 0.544 4.894 4.350 -0.000 0.000 0.288 91 T C 1.345 176.002 174.700 -0.072 0.000 0.963 91 T CA 0.542 62.587 62.100 -0.092 0.000 1.019 91 T CB 1.380 70.200 68.868 -0.081 0.000 0.923 91 T HN 0.638 nan 8.240 nan 0.000 0.468 92 T N -0.790 113.742 114.554 -0.038 0.000 3.040 92 T HA 0.265 4.615 4.350 -0.000 0.000 0.266 92 T C 0.446 175.142 174.700 -0.006 0.000 1.005 92 T CA -0.253 61.835 62.100 -0.020 0.000 0.906 92 T CB 0.366 69.224 68.868 -0.016 0.000 1.082 92 T HN 0.492 nan 8.240 nan 0.000 0.531 93 T N 2.351 116.901 114.554 -0.007 0.000 2.971 93 T HA 0.644 4.994 4.350 -0.000 0.000 0.304 93 T C -0.826 173.868 174.700 -0.009 0.000 1.038 93 T CA -0.705 61.391 62.100 -0.007 0.000 1.007 93 T CB 2.213 71.071 68.868 -0.016 0.000 1.055 93 T HN 0.413 nan 8.240 nan 0.000 0.451 94 V N 0.344 120.255 119.914 -0.004 0.000 2.769 94 V HA 0.969 5.089 4.120 -0.000 0.000 0.312 94 V C -0.816 175.248 176.094 -0.050 0.000 1.061 94 V CA -0.922 61.367 62.300 -0.019 0.000 0.931 94 V CB 1.897 33.705 31.823 -0.026 0.000 1.010 94 V HN 0.639 nan 8.190 nan 0.000 0.433 95 V N 3.504 123.338 119.914 -0.133 0.000 2.407 95 V HA 0.868 4.988 4.120 -0.000 0.000 0.291 95 V C 0.627 176.509 176.094 -0.353 0.000 1.018 95 V CA 0.394 62.496 62.300 -0.329 0.000 0.842 95 V CB 0.628 32.050 31.823 -0.668 0.000 0.996 95 V HN 1.426 nan 8.190 nan 0.000 0.426 96 A N 4.465 127.137 122.820 -0.247 0.000 3.068 96 A HA 0.987 5.307 4.320 -0.000 0.000 0.229 96 A C -1.017 176.354 177.584 -0.355 0.000 1.561 96 A CA -0.404 51.550 52.037 -0.139 0.000 0.876 96 A CB 0.786 19.827 19.000 0.068 0.000 1.700 96 A HN 0.578 nan 8.150 nan 0.000 0.535 97 F N -0.576 119.465 119.950 0.152 0.000 2.547 97 F HA 0.521 5.048 4.527 -0.000 0.000 0.316 97 F C 0.453 176.387 175.800 0.222 0.000 1.121 97 F CA -0.257 57.870 58.000 0.212 0.000 0.911 97 F CB 2.296 41.457 39.000 0.268 0.000 1.179 97 F HN 0.349 nan 8.300 nan 0.000 0.443 98 S N 1.857 117.760 115.700 0.337 0.000 2.438 98 S HA 0.432 4.902 4.470 -0.000 0.000 0.293 98 S C -0.338 174.429 174.600 0.280 0.000 1.141 98 S CA -0.410 57.938 58.200 0.247 0.000 1.080 98 S CB 0.475 63.757 63.200 0.137 0.000 0.978 98 S HN 0.595 nan 8.310 nan 0.000 0.479 99 T N 5.282 119.987 114.554 0.251 0.000 2.761 99 T HA 0.158 4.508 4.350 -0.000 0.000 0.296 99 T C 0.221 175.065 174.700 0.241 0.000 0.934 99 T CA -0.103 62.171 62.100 0.290 0.000 1.091 99 T CB 0.676 69.694 68.868 0.250 0.000 0.896 99 T HN 0.762 nan 8.240 nan 0.000 0.515 100 Q N 3.041 122.989 119.800 0.247 0.000 2.308 100 Q HA -0.089 4.251 4.340 -0.000 0.000 0.313 100 Q C -0.403 175.644 176.000 0.078 0.000 1.075 100 Q CA 0.176 56.017 55.803 0.065 0.000 0.995 100 Q CB 0.371 29.004 28.738 -0.175 0.000 1.107 100 Q HN 0.501 nan 8.270 nan 0.000 0.380 101 D N 4.206 124.629 120.400 0.039 0.000 2.428 101 D HA 0.064 4.704 4.640 -0.000 0.000 0.221 101 D C 0.924 177.233 176.300 0.014 0.000 1.123 101 D CA -0.383 53.650 54.000 0.054 0.000 0.869 101 D CB 1.078 41.901 40.800 0.038 0.000 1.032 101 D HN 0.473 nan 8.370 nan 0.000 0.506 102 V N 2.140 122.070 119.914 0.028 0.000 3.241 102 V HA -0.128 3.992 4.120 -0.000 0.000 0.269 102 V C 1.794 177.897 176.094 0.017 0.000 1.151 102 V CA 1.619 63.917 62.300 -0.003 0.000 1.158 102 V CB -0.959 30.884 31.823 0.035 0.000 0.764 102 V HN 0.487 nan 8.190 nan 0.000 0.508 103 S N -0.828 114.889 115.700 0.029 0.000 2.470 103 S HA 0.085 4.555 4.470 -0.000 0.000 0.225 103 S C 0.979 175.588 174.600 0.015 0.000 1.006 103 S CA -0.007 58.207 58.200 0.024 0.000 0.934 103 S CB -0.310 62.907 63.200 0.027 0.000 0.778 103 S HN 0.574 nan 8.310 nan 0.000 0.517 104 K N 2.187 122.594 120.400 0.011 0.000 2.205 104 K HA 0.477 4.797 4.320 -0.000 0.000 0.279 104 K C -0.164 176.440 176.600 0.006 0.000 1.027 104 K CA -0.155 56.138 56.287 0.009 0.000 0.932 104 K CB 0.839 33.345 32.500 0.010 0.000 1.032 104 K HN 0.185 nan 8.250 nan 0.000 0.466 105 K N 0.290 120.695 120.400 0.009 0.000 2.352 105 K HA 0.639 4.959 4.320 -0.000 0.000 0.240 105 K C 0.387 176.995 176.600 0.013 0.000 1.017 105 K CA -0.492 55.800 56.287 0.008 0.000 0.851 105 K CB 1.719 34.224 32.500 0.009 0.000 1.261 105 K HN 0.755 nan 8.250 nan 0.000 0.451 106 G N 0.968 109.775 108.800 0.012 0.000 2.693 106 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.226 106 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.226 106 G C -2.049 172.864 174.900 0.020 0.000 1.354 106 G CA -0.413 44.696 45.100 0.016 0.000 0.873 106 G HN 0.376 nan 8.290 nan 0.000 0.562 107 P HA -0.039 nan 4.420 nan 0.000 0.218 107 P C 1.953 179.278 177.300 0.042 0.000 1.148 107 P CA 2.608 65.726 63.100 0.031 0.000 0.822 107 P CB -0.121 31.597 31.700 0.031 0.000 0.784 108 S N -1.907 113.819 115.700 0.043 0.000 2.575 108 S HA 0.319 4.789 4.470 -0.000 0.000 0.215 108 S C 1.835 176.467 174.600 0.052 0.000 0.966 108 S CA 0.269 58.504 58.200 0.057 0.000 0.911 108 S CB -0.794 62.440 63.200 0.058 0.000 0.780 108 S HN 0.065 nan 8.310 nan 0.000 0.514 109 A N 2.383 125.224 122.820 0.036 0.000 1.940 109 A HA 0.052 4.372 4.320 -0.000 0.000 0.219 109 A C 2.126 179.725 177.584 0.024 0.000 1.176 109 A CA 1.428 53.478 52.037 0.023 0.000 0.631 109 A CB -0.705 18.301 19.000 0.009 0.000 0.814 109 A HN 0.589 nan 8.150 nan 0.000 0.446 110 L N -1.513 119.734 121.223 0.041 0.000 2.162 110 L HA -0.007 4.333 4.340 -0.000 0.000 0.205 110 L C 3.036 179.942 176.870 0.059 0.000 1.086 110 L CA 0.701 55.573 54.840 0.053 0.000 0.778 110 L CB -0.546 41.557 42.059 0.073 0.000 0.928 110 L HN 0.407 nan 8.230 nan 0.000 0.446 111 A N 0.039 122.914 122.820 0.092 0.000 1.902 111 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 111 A C 2.162 179.745 177.584 -0.002 0.000 1.181 111 A CA 1.404 53.517 52.037 0.127 0.000 0.623 111 A CB -0.348 18.792 19.000 0.234 0.000 0.818 111 A HN 0.324 nan 8.150 nan 0.000 0.443 112 E N 0.310 120.522 120.200 0.021 0.000 2.209 112 E HA -0.119 4.230 4.350 -0.000 0.000 0.196 112 E C 2.255 178.810 176.600 -0.075 0.000 0.993 112 E CA 1.284 57.672 56.400 -0.019 0.000 0.819 112 E CB -0.317 29.389 29.700 0.011 0.000 0.745 112 E HN 0.595 nan 8.360 nan 0.000 0.477 113 S N 0.359 116.024 115.700 -0.057 0.000 2.383 113 S HA -0.084 4.386 4.470 -0.000 0.000 0.227 113 S C 2.239 176.769 174.600 -0.117 0.000 1.026 113 S CA 0.813 58.985 58.200 -0.047 0.000 0.981 113 S CB -0.035 63.173 63.200 0.012 0.000 0.818 113 S HN 0.069 nan 8.310 nan 0.000 0.472 114 V N 2.070 121.853 119.914 -0.218 0.000 2.453 114 V HA -0.119 4.001 4.120 -0.000 0.000 0.247 114 V C 2.334 178.075 176.094 -0.589 0.000 1.048 114 V CA 1.553 63.629 62.300 -0.374 0.000 1.049 114 V CB -0.545 30.995 31.823 -0.471 0.000 0.672 114 V HN 0.428 nan 8.190 nan 0.000 0.457 115 K N 0.254 120.250 120.400 -0.672 0.000 2.103 115 K HA -0.180 4.140 4.320 -0.000 0.000 0.207 115 K C 2.116 178.550 176.600 -0.276 0.000 1.048 115 K CA 1.532 57.517 56.287 -0.502 0.000 0.930 115 K CB -0.249 32.126 32.500 -0.208 0.000 0.716 115 K HN 0.406 nan 8.250 nan 0.000 0.444 116 L N 0.990 122.083 121.223 -0.217 0.000 2.042 116 L HA -0.257 4.083 4.340 -0.000 0.000 0.210 116 L C 2.088 178.798 176.870 -0.266 0.000 1.076 116 L CA 1.455 56.191 54.840 -0.175 0.000 0.749 116 L CB -0.512 41.479 42.059 -0.113 0.000 0.893 116 L HN 0.305 nan 8.230 nan 0.000 0.432 117 D N -0.456 119.759 120.400 -0.309 0.000 2.091 117 D HA -0.120 4.519 4.640 -0.000 0.000 0.199 117 D C 2.368 178.317 176.300 -0.585 0.000 0.980 117 D CA 1.119 54.817 54.000 -0.504 0.000 0.831 117 D CB -0.285 40.400 40.800 -0.192 0.000 0.987 117 D HN 0.107 nan 8.370 nan 0.000 0.460 118 V N 2.051 121.769 119.914 -0.325 0.000 2.282 118 V HA -0.256 3.863 4.120 -0.000 0.000 0.249 118 V C 2.000 178.023 176.094 -0.118 0.000 1.057 118 V CA 1.943 64.130 62.300 -0.189 0.000 1.032 118 V CB -0.488 31.143 31.823 -0.319 0.000 0.645 118 V HN 0.038 nan 8.190 nan 0.000 0.447 119 D N -0.577 119.732 120.400 -0.152 0.000 2.123 119 D HA -0.194 4.446 4.640 -0.000 0.000 0.196 119 D C 2.207 178.439 176.300 -0.113 0.000 0.992 119 D CA 1.646 55.590 54.000 -0.093 0.000 0.833 119 D CB -0.155 40.596 40.800 -0.082 0.000 0.954 119 D HN 0.635 nan 8.370 nan 0.000 0.455 120 E N -0.678 119.377 120.200 -0.242 0.000 2.106 120 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 120 E C 1.633 178.165 176.600 -0.113 0.000 0.984 120 E CA 0.829 57.090 56.400 -0.231 0.000 0.806 120 E CB -0.114 29.371 29.700 -0.358 0.000 0.750 120 E HN 0.479 nan 8.360 nan 0.000 0.458 121 Y N -0.021 120.264 120.300 -0.026 0.000 2.544 121 Y HA -0.020 4.530 4.550 -0.000 0.000 0.286 121 Y C 2.548 178.455 175.900 0.012 0.000 1.141 121 Y CA 0.169 58.236 58.100 -0.054 0.000 1.299 121 Y CB 0.151 38.496 38.460 -0.192 0.000 1.030 121 Y HN 0.157 nan 8.280 nan 0.000 0.543 122 S N -0.075 115.712 115.700 0.146 0.000 2.474 122 S HA -0.138 4.332 4.470 -0.000 0.000 0.235 122 S C 1.354 175.998 174.600 0.074 0.000 0.997 122 S CA 1.003 59.275 58.200 0.119 0.000 0.949 122 S CB -0.078 63.171 63.200 0.081 0.000 0.766 122 S HN 0.358 nan 8.310 nan 0.000 0.517 123 E N 0.965 121.199 120.200 0.057 0.000 2.447 123 E HA 0.204 4.554 4.350 -0.000 0.000 0.195 123 E C 0.370 176.985 176.600 0.026 0.000 1.028 123 E CA 0.160 56.581 56.400 0.034 0.000 0.876 123 E CB 0.060 29.774 29.700 0.024 0.000 0.885 123 E HN 0.743 nan 8.360 nan 0.000 0.500 124 Q N 0.563 120.385 119.800 0.036 0.000 2.260 124 Q HA 0.240 4.579 4.340 -0.000 0.000 0.238 124 Q C -0.327 175.653 176.000 -0.034 0.000 0.948 124 Q CA -0.092 55.711 55.803 -0.001 0.000 0.895 124 Q CB 0.993 29.727 28.738 -0.006 0.000 1.218 124 Q HN -0.153 nan 8.270 nan 0.000 0.470 125 T N 2.323 116.830 114.554 -0.078 0.000 2.779 125 T HA 0.299 4.648 4.350 -0.000 0.000 0.296 125 T C -0.286 174.278 174.700 -0.226 0.000 0.938 125 T CA -0.176 61.820 62.100 -0.174 0.000 1.119 125 T CB -0.024 68.705 68.868 -0.231 0.000 0.891 125 T HN 0.249 nan 8.240 nan 0.000 0.526 126 L N 3.947 125.041 121.223 -0.215 0.000 2.305 126 L HA 0.376 4.715 4.340 -0.000 0.000 0.284 126 L C 0.272 177.034 176.870 -0.180 0.000 1.013 126 L CA -0.873 53.899 54.840 -0.114 0.000 0.819 126 L CB 1.146 43.216 42.059 0.018 0.000 1.227 126 L HN 0.715 nan 8.230 nan 0.000 0.417 127 Y N 1.521 121.819 120.300 -0.002 0.000 2.519 127 Y HA 0.025 4.574 4.550 -0.000 0.000 0.287 127 Y C 1.131 177.036 175.900 0.008 0.000 1.128 127 Y CA -0.268 57.836 58.100 0.006 0.000 1.282 127 Y CB 0.304 38.765 38.460 0.002 0.000 1.027 127 Y HN 0.710 nan 8.280 nan 0.000 0.551 128 C N -2.936 116.444 119.300 0.133 0.000 3.332 128 C HA 0.488 4.948 4.460 -0.000 0.000 0.329 128 C C -0.870 174.175 174.990 0.092 0.000 1.434 128 C CA -1.580 57.487 59.018 0.082 0.000 1.314 128 C CB 1.172 28.947 27.740 0.059 0.000 1.664 128 C HN -0.001 nan 8.230 nan 0.000 0.457 129 D N 0.926 121.361 120.400 0.058 0.000 2.382 129 D HA 0.482 5.122 4.640 -0.000 0.000 0.240 129 D C -0.567 175.793 176.300 0.100 0.000 1.146 129 D CA 0.788 54.818 54.000 0.050 0.000 0.897 129 D CB 0.581 41.355 40.800 -0.044 0.000 1.197 129 D HN 0.823 nan 8.370 nan 0.000 0.432 130 Y N -2.171 118.098 120.300 -0.052 0.000 2.562 130 Y HA 0.666 5.216 4.550 -0.000 0.000 0.345 130 Y C -0.382 175.458 175.900 -0.100 0.000 1.045 130 Y CA -1.104 56.958 58.100 -0.064 0.000 1.028 130 Y CB 1.289 39.732 38.460 -0.030 0.000 1.297 130 Y HN 0.349 nan 8.280 nan 0.000 0.463 131 G N 2.237 110.932 108.800 -0.175 0.000 2.788 131 G HA2 0.735 4.695 3.960 -0.000 0.000 0.293 131 G HA3 0.735 4.695 3.960 -0.000 0.000 0.293 131 G C -2.080 172.780 174.900 -0.066 0.000 1.305 131 G CA -1.327 43.598 45.100 -0.291 0.000 1.005 131 G HN 0.769 nan 8.290 nan 0.000 0.496 132 L N 0.523 121.696 121.223 -0.083 0.000 2.431 132 L HA 0.416 4.756 4.340 -0.000 0.000 0.266 132 L C -0.656 176.038 176.870 -0.294 0.000 0.978 132 L CA -1.108 53.665 54.840 -0.112 0.000 0.822 132 L CB 2.438 44.597 42.059 0.166 0.000 1.310 132 L HN 0.479 nan 8.230 nan 0.000 0.409 133 H N 2.464 121.351 119.070 -0.304 0.000 2.505 133 H HA 0.411 4.967 4.556 -0.000 0.000 0.355 133 H C -0.748 174.596 175.328 0.026 0.000 1.179 133 H CA -0.605 55.296 56.048 -0.245 0.000 1.343 133 H CB 2.471 31.895 29.762 -0.563 0.000 1.501 133 H HN 0.223 nan 8.280 nan 0.000 0.569 134 L N 2.486 123.876 121.223 0.279 0.000 2.296 134 L HA 0.340 4.680 4.340 -0.000 0.000 0.286 134 L C -0.485 176.599 176.870 0.356 0.000 1.023 134 L CA -0.230 54.786 54.840 0.293 0.000 0.812 134 L CB 0.530 42.748 42.059 0.265 0.000 1.223 134 L HN 0.438 nan 8.230 nan 0.000 0.421 135 I N 5.635 126.444 120.570 0.398 0.000 2.331 135 I HA 0.257 4.426 4.170 -0.000 0.000 0.292 135 I C -0.912 175.429 176.117 0.372 0.000 0.998 135 I CA -0.590 60.982 61.300 0.453 0.000 1.267 135 I CB 1.295 39.628 38.000 0.555 0.000 1.386 135 I HN 0.364 nan 8.210 nan 0.000 0.476 136 L N 7.442 128.870 121.223 0.343 0.000 2.325 136 L HA 0.360 4.700 4.340 -0.000 0.000 0.281 136 L C -0.025 177.027 176.870 0.303 0.000 1.004 136 L CA 0.050 55.008 54.840 0.197 0.000 0.823 136 L CB 1.178 43.319 42.059 0.136 0.000 1.236 136 L HN 0.585 nan 8.230 nan 0.000 0.415 137 F N -0.206 119.841 119.950 0.161 0.000 2.871 137 F HA 0.433 4.960 4.527 -0.000 0.000 0.344 137 F C 0.313 176.176 175.800 0.105 0.000 1.078 137 F CA -0.488 57.597 58.000 0.143 0.000 1.149 137 F CB 0.192 39.258 39.000 0.109 0.000 1.087 137 F HN 0.378 nan 8.300 nan 0.000 0.557 138 Q N 2.678 122.330 119.800 -0.247 0.000 2.363 138 Q HA 0.464 4.804 4.340 -0.000 0.000 0.265 138 Q C -1.419 174.545 176.000 -0.060 0.000 1.032 138 Q CA -0.509 55.224 55.803 -0.116 0.000 0.746 138 Q CB 1.691 30.295 28.738 -0.223 0.000 1.237 138 Q HN 0.207 nan 8.270 nan 0.000 0.475 139 I N 2.863 123.448 120.570 0.024 0.000 2.433 139 I HA 0.342 4.512 4.170 -0.000 0.000 0.292 139 I C 0.295 176.445 176.117 0.055 0.000 1.001 139 I CA -0.823 60.502 61.300 0.041 0.000 1.119 139 I CB 1.619 39.666 38.000 0.077 0.000 1.289 139 I HN 0.520 nan 8.210 nan 0.000 0.438 140 E N 5.243 125.468 120.200 0.042 0.000 2.383 140 E HA 0.297 4.647 4.350 -0.000 0.000 0.264 140 E C -0.398 176.251 176.600 0.081 0.000 1.050 140 E CA -0.022 56.405 56.400 0.046 0.000 0.896 140 E CB 1.288 31.005 29.700 0.028 0.000 0.982 140 E HN 0.419 nan 8.360 nan 0.000 0.424 141 K N 1.869 122.316 120.400 0.078 0.000 2.385 141 K HA 0.487 4.807 4.320 -0.000 0.000 0.248 141 K C -2.243 174.398 176.600 0.067 0.000 0.955 141 K CA -1.680 54.674 56.287 0.111 0.000 0.816 141 K CB 1.307 33.853 32.500 0.077 0.000 1.250 141 K HN 0.251 nan 8.250 nan 0.000 0.434 142 P HA 0.051 nan 4.420 nan 0.000 0.274 142 P C 0.497 177.881 177.300 0.139 0.000 1.256 142 P CA -0.451 62.747 63.100 0.163 0.000 0.795 142 P CB 0.690 32.458 31.700 0.113 0.000 1.038 143 S N -0.671 115.118 115.700 0.148 0.000 2.359 143 S HA -0.159 4.310 4.470 -0.000 0.000 0.224 143 S C 1.779 176.323 174.600 -0.094 0.000 1.035 143 S CA 1.661 59.830 58.200 -0.052 0.000 1.018 143 S CB -1.374 61.664 63.200 -0.270 0.000 0.876 143 S HN 0.201 nan 8.310 nan 0.000 0.448 144 V N 2.586 122.452 119.914 -0.079 0.000 2.255 144 V HA -0.179 3.941 4.120 -0.000 0.000 0.247 144 V C 2.783 178.847 176.094 -0.050 0.000 1.051 144 V CA 2.379 64.624 62.300 -0.092 0.000 1.018 144 V CB -1.138 30.654 31.823 -0.052 0.000 0.641 144 V HN 0.458 nan 8.190 nan 0.000 0.445 145 E N 0.568 120.759 120.200 -0.015 0.000 2.204 145 E HA -0.124 4.225 4.350 -0.000 0.000 0.195 145 E C 2.092 178.692 176.600 -0.000 0.000 0.990 145 E CA 1.330 57.729 56.400 -0.001 0.000 0.821 145 E CB -0.484 29.222 29.700 0.010 0.000 0.750 145 E HN 0.611 nan 8.360 nan 0.000 0.477 146 A N 0.676 123.494 122.820 -0.004 0.000 2.067 146 A HA -0.055 4.264 4.320 -0.000 0.000 0.217 146 A C 1.826 179.407 177.584 -0.005 0.000 1.156 146 A CA 0.513 52.551 52.037 0.001 0.000 0.683 146 A CB -0.124 18.883 19.000 0.012 0.000 0.808 146 A HN 0.048 nan 8.150 nan 0.000 0.455 147 R N -0.035 120.448 120.500 -0.028 0.000 2.096 147 R HA -0.166 4.174 4.340 -0.000 0.000 0.240 147 R C 1.904 178.226 176.300 0.037 0.000 1.139 147 R CA 1.525 57.618 56.100 -0.013 0.000 0.952 147 R CB -0.387 29.862 30.300 -0.085 0.000 0.854 147 R HN 0.471 nan 8.270 nan 0.000 0.436 148 E N 0.901 121.119 120.200 0.031 0.000 2.038 148 E HA -0.198 4.152 4.350 -0.000 0.000 0.195 148 E C 2.031 178.644 176.600 0.022 0.000 1.000 148 E CA 1.014 57.434 56.400 0.033 0.000 0.803 148 E CB -0.318 29.400 29.700 0.029 0.000 0.750 148 E HN 0.108 nan 8.360 nan 0.000 0.448 149 L N 0.944 122.177 121.223 0.017 0.000 1.989 149 L HA -0.177 4.163 4.340 -0.000 0.000 0.211 149 L C 2.447 179.322 176.870 0.007 0.000 1.071 149 L CA 1.452 56.300 54.840 0.013 0.000 0.749 149 L CB -0.957 41.109 42.059 0.012 0.000 0.890 149 L HN 0.151 nan 8.230 nan 0.000 0.431 150 L N -0.154 121.072 121.223 0.006 0.000 2.012 150 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 150 L C 2.259 179.112 176.870 -0.028 0.000 1.073 150 L CA 2.301 57.138 54.840 -0.006 0.000 0.748 150 L CB -1.082 40.979 42.059 0.004 0.000 0.891 150 L HN 0.534 nan 8.230 nan 0.000 0.431 151 D N -0.996 119.395 120.400 -0.015 0.000 2.092 151 D HA -0.189 4.450 4.640 -0.000 0.000 0.193 151 D C 2.137 178.411 176.300 -0.043 0.000 0.994 151 D CA 1.833 55.806 54.000 -0.044 0.000 0.828 151 D CB -0.242 40.555 40.800 -0.005 0.000 0.963 151 D HN 0.199 nan 8.370 nan 0.000 0.450 152 V N 0.324 120.232 119.914 -0.009 0.000 2.392 152 V HA -0.256 3.863 4.120 -0.000 0.000 0.249 152 V C 2.608 178.713 176.094 0.020 0.000 1.059 152 V CA 1.976 64.281 62.300 0.009 0.000 1.051 152 V CB -0.553 31.281 31.823 0.018 0.000 0.658 152 V HN 0.322 nan 8.190 nan 0.000 0.455 153 Q N -0.722 119.084 119.800 0.011 0.000 2.119 153 Q HA -0.133 4.207 4.340 -0.000 0.000 0.201 153 Q C 2.288 178.311 176.000 0.039 0.000 0.972 153 Q CA 1.412 57.231 55.803 0.027 0.000 0.847 153 Q CB -0.173 28.575 28.738 0.016 0.000 0.903 153 Q HN 0.553 nan 8.270 nan 0.000 0.433 154 L N 0.291 121.492 121.223 -0.037 0.000 2.093 154 L HA -0.209 4.130 4.340 -0.000 0.000 0.208 154 L C 2.387 179.319 176.870 0.103 0.000 1.085 154 L CA 1.148 55.925 54.840 -0.104 0.000 0.755 154 L CB -0.427 41.297 42.059 -0.558 0.000 0.904 154 L HN 0.305 nan 8.230 nan 0.000 0.435 155 Q N -0.034 119.811 119.800 0.074 0.000 2.061 155 Q HA -0.205 4.134 4.340 -0.000 0.000 0.204 155 Q C 2.442 178.575 176.000 0.221 0.000 0.984 155 Q CA 1.803 57.710 55.803 0.173 0.000 0.846 155 Q CB -0.274 28.520 28.738 0.094 0.000 0.902 155 Q HN 0.554 nan 8.270 nan 0.000 0.421 156 A N 0.854 123.768 122.820 0.157 0.000 1.930 156 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 156 A C 2.254 179.960 177.584 0.203 0.000 1.175 156 A CA 1.484 53.609 52.037 0.147 0.000 0.627 156 A CB -0.685 18.381 19.000 0.109 0.000 0.815 156 A HN 0.400 nan 8.150 nan 0.000 0.443 157 A N -1.541 121.431 122.820 0.253 0.000 1.930 157 A HA -0.066 4.253 4.320 -0.000 0.000 0.217 157 A C 2.136 179.936 177.584 0.359 0.000 1.175 157 A CA 1.606 53.832 52.037 0.315 0.000 0.627 157 A CB -0.719 18.472 19.000 0.317 0.000 0.815 157 A HN 0.708 nan 8.150 nan 0.000 0.443 158 Y N 1.325 121.802 120.300 0.295 0.000 2.184 158 Y HA -0.158 4.392 4.550 -0.000 0.000 0.290 158 Y C 2.151 178.130 175.900 0.130 0.000 1.129 158 Y CA 1.964 60.191 58.100 0.213 0.000 1.144 158 Y CB -0.238 38.382 38.460 0.267 0.000 0.995 158 Y HN 0.308 nan 8.280 nan 0.000 0.513 159 N N 0.513 119.257 118.700 0.074 0.000 2.166 159 N HA -0.162 4.577 4.740 -0.000 0.000 0.186 159 N C 1.181 176.608 175.510 -0.138 0.000 1.019 159 N CA 1.724 54.736 53.050 -0.064 0.000 0.856 159 N CB -0.357 38.163 38.487 0.055 0.000 0.993 159 N HN 0.492 nan 8.380 nan 0.000 0.426 160 D N -1.234 119.121 120.400 -0.076 0.000 2.240 160 D HA 0.018 4.657 4.640 -0.000 0.000 0.206 160 D C 0.751 176.785 176.300 -0.443 0.000 0.963 160 D CA 0.795 54.654 54.000 -0.234 0.000 0.863 160 D CB 0.075 40.782 40.800 -0.154 0.000 0.973 160 D HN 0.356 nan 8.370 nan 0.000 0.501 161 Y N -0.796 119.500 120.300 -0.008 0.000 2.563 161 Y HA 0.310 4.860 4.550 -0.000 0.000 0.250 161 Y C 1.314 177.264 175.900 0.084 0.000 1.126 161 Y CA -0.089 58.056 58.100 0.075 0.000 1.231 161 Y CB 1.289 39.789 38.460 0.068 0.000 1.288 161 Y HN -0.046 nan 8.280 nan 0.000 0.537 162 G N 1.333 110.115 108.800 -0.029 0.000 2.249 162 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.273 162 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.273 162 G C -0.297 174.623 174.900 0.033 0.000 1.036 162 G CA 0.360 45.360 45.100 -0.167 0.000 0.824 162 G HN 0.128 nan 8.290 nan 0.000 0.504 163 V N 0.901 120.906 119.914 0.151 0.000 2.406 163 V HA 0.574 4.693 4.120 -0.000 0.000 0.272 163 V C 1.095 177.154 176.094 -0.059 0.000 1.043 163 V CA 0.610 62.979 62.300 0.115 0.000 0.915 163 V CB 1.579 33.522 31.823 0.199 0.000 0.988 163 V HN 0.941 nan 8.190 nan 0.000 0.466 164 S N 1.349 116.849 115.700 -0.333 0.000 2.937 164 S HA 0.282 4.751 4.470 -0.000 0.000 0.252 164 S C 0.176 174.300 174.600 -0.795 0.000 1.022 164 S CA -0.076 57.486 58.200 -1.065 0.000 1.079 164 S CB 0.324 63.212 63.200 -0.519 0.000 1.035 164 S HN 0.788 nan 8.310 nan 0.000 0.594 165 S N 0.078 115.644 115.700 -0.223 0.000 2.541 165 S HA 0.880 5.350 4.470 -0.000 0.000 0.280 165 S C -0.644 174.142 174.600 0.310 0.000 1.112 165 S CA -0.659 57.635 58.200 0.156 0.000 0.925 165 S CB 1.815 65.200 63.200 0.309 0.000 1.067 165 S HN 0.157 nan 8.310 nan 0.000 0.479 169 F N 1.599 121.674 119.950 0.208 0.000 2.495 169 F HA 0.555 5.082 4.527 -0.000 0.000 0.327 169 F C 0.768 176.653 175.800 0.142 0.000 1.103 169 F CA -0.555 57.559 58.000 0.190 0.000 0.949 169 F CB 1.616 40.732 39.000 0.194 0.000 1.142 169 F HN 0.551 nan 8.300 nan 0.000 0.457 170 M N 0.785 120.545 119.600 0.267 0.000 2.371 170 M HA 0.147 4.627 4.480 -0.000 0.000 0.246 170 M C 0.287 176.652 176.300 0.109 0.000 1.103 170 M CA 0.328 55.738 55.300 0.183 0.000 1.010 170 M CB 0.561 33.264 32.600 0.171 0.000 1.457 170 M HN 0.662 nan 8.290 nan 0.000 0.486 171 T N -1.149 113.434 114.554 0.048 0.000 2.716 171 T HA 0.540 4.889 4.350 -0.000 0.000 0.286 171 T C -1.725 172.924 174.700 -0.085 0.000 1.052 171 T CA -0.190 61.846 62.100 -0.105 0.000 1.024 171 T CB 0.992 69.682 68.868 -0.296 0.000 1.349 171 T HN 0.288 nan 8.240 nan 0.000 0.525 172 Y N -0.825 119.444 120.300 -0.051 0.000 2.635 172 Y HA -0.095 4.455 4.550 -0.000 0.000 0.027 172 Y C -2.603 173.240 175.900 -0.095 0.000 1.847 172 Y CA -0.833 57.203 58.100 -0.108 0.000 1.327 172 Y CB -1.183 37.135 38.460 -0.237 0.000 1.982 172 Y HN 0.507 nan 8.280 nan 0.000 0.272 173 P HA 0.216 nan 4.420 nan 0.000 0.264 173 P C 0.927 178.207 177.300 -0.033 0.000 1.193 173 P CA 1.953 65.067 63.100 0.022 0.000 0.763 173 P CB 0.767 32.472 31.700 0.009 0.000 0.810 174 G N 2.232 111.011 108.800 -0.036 0.000 2.234 174 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.235 174 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.235 174 G C 0.576 175.373 174.900 -0.172 0.000 0.997 174 G CA 0.227 45.261 45.100 -0.110 0.000 0.623 174 G HN 0.492 nan 8.290 nan 0.000 0.514 175 L N 0.130 121.286 121.223 -0.112 0.000 2.653 175 L HA 0.356 4.696 4.340 -0.000 0.000 0.230 175 L C 1.381 178.350 176.870 0.164 0.000 1.055 175 L CA 0.302 55.094 54.840 -0.080 0.000 0.880 175 L CB 0.149 41.950 42.059 -0.430 0.000 1.195 175 L HN 0.351 nan 8.230 nan 0.000 0.492 176 Q N 2.813 122.704 119.800 0.152 0.000 2.263 176 Q HA 0.150 4.489 4.340 -0.000 0.000 0.289 176 Q C -0.612 175.497 176.000 0.183 0.000 1.061 176 Q CA 0.232 56.144 55.803 0.181 0.000 0.927 176 Q CB 0.537 29.346 28.738 0.118 0.000 1.154 176 Q HN 0.395 nan 8.270 nan 0.000 0.378 177 I N 0.669 121.361 120.570 0.203 0.000 2.646 177 I HA 0.536 4.706 4.170 -0.000 0.000 0.299 177 I C -0.052 176.158 176.117 0.156 0.000 1.036 177 I CA -1.086 60.323 61.300 0.182 0.000 1.074 177 I CB 2.004 40.126 38.000 0.203 0.000 1.258 177 I HN 0.631 nan 8.210 nan 0.000 0.430 178 S N 2.220 118.006 115.700 0.144 0.000 2.589 178 S HA 0.095 4.565 4.470 -0.000 0.000 0.265 178 S C 0.548 175.239 174.600 0.152 0.000 1.342 178 S CA -0.103 58.179 58.200 0.136 0.000 1.005 178 S CB 0.807 64.087 63.200 0.133 0.000 0.909 178 S HN 0.740 nan 8.310 nan 0.000 0.555 179 D N 0.309 120.792 120.400 0.138 0.000 2.123 179 D HA -0.133 4.506 4.640 -0.000 0.000 0.196 179 D C 1.464 177.850 176.300 0.144 0.000 0.992 179 D CA 1.745 55.821 54.000 0.127 0.000 0.833 179 D CB -0.609 40.254 40.800 0.105 0.000 0.954 179 D HN 0.772 nan 8.370 nan 0.000 0.455 180 Y N 1.825 122.149 120.300 0.039 0.000 2.081 180 Y HA -0.256 4.294 4.550 -0.000 0.000 0.280 180 Y C 1.836 177.759 175.900 0.039 0.000 1.163 180 Y CA 1.934 60.051 58.100 0.028 0.000 1.135 180 Y CB -0.066 38.404 38.460 0.017 0.000 0.970 180 Y HN -0.153 nan 8.280 nan 0.000 0.498 181 D N 0.205 120.764 120.400 0.265 0.000 2.178 181 D HA -0.174 4.465 4.640 -0.000 0.000 0.201 181 D C 2.264 178.616 176.300 0.087 0.000 0.980 181 D CA 1.591 55.691 54.000 0.166 0.000 0.842 181 D CB -0.295 40.621 40.800 0.194 0.000 0.948 181 D HN 0.485 nan 8.370 nan 0.000 0.472 182 I N 0.396 121.024 120.570 0.098 0.000 2.226 182 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 182 I C 2.433 178.584 176.117 0.056 0.000 1.100 182 I CA 0.876 62.227 61.300 0.084 0.000 1.374 182 I CB -0.154 37.903 38.000 0.096 0.000 1.057 182 I HN -0.024 nan 8.210 nan 0.000 0.413 183 M N -0.239 119.372 119.600 0.018 0.000 2.117 183 M HA -0.196 4.284 4.480 -0.000 0.000 0.262 183 M C 2.507 178.820 176.300 0.021 0.000 1.065 183 M CA 1.670 56.974 55.300 0.007 0.000 1.114 183 M CB -0.459 32.101 32.600 -0.067 0.000 1.361 183 M HN 0.127 nan 8.290 nan 0.000 0.408 184 S N 0.755 116.415 115.700 -0.066 0.000 2.370 184 S HA -0.150 4.320 4.470 -0.000 0.000 0.226 184 S C 2.127 176.773 174.600 0.077 0.000 1.033 184 S CA 1.469 59.647 58.200 -0.036 0.000 1.011 184 S CB -0.481 62.672 63.200 -0.079 0.000 0.852 184 S HN 0.577 nan 8.310 nan 0.000 0.457 185 A N 1.431 124.292 122.820 0.068 0.000 1.873 185 A HA -0.029 4.291 4.320 -0.000 0.000 0.215 185 A C 2.163 179.802 177.584 0.091 0.000 1.186 185 A CA 1.479 53.560 52.037 0.073 0.000 0.616 185 A CB -0.651 18.391 19.000 0.071 0.000 0.823 185 A HN 0.458 nan 8.150 nan 0.000 0.442 186 M N -2.224 117.438 119.600 0.104 0.000 2.149 186 M HA -0.185 4.295 4.480 -0.000 0.000 0.261 186 M C 2.151 178.545 176.300 0.157 0.000 1.064 186 M CA 1.937 57.302 55.300 0.108 0.000 1.102 186 M CB -0.450 32.212 32.600 0.103 0.000 1.369 186 M HN 0.639 nan 8.290 nan 0.000 0.408 187 Y N 0.543 120.901 120.300 0.097 0.000 2.128 187 Y HA -0.286 4.264 4.550 -0.000 0.000 0.284 187 Y C 2.381 178.342 175.900 0.103 0.000 1.154 187 Y CA 2.022 60.217 58.100 0.160 0.000 1.149 187 Y CB -0.270 38.281 38.460 0.150 0.000 0.976 187 Y HN 0.185 nan 8.280 nan 0.000 0.505 188 A N -0.690 122.258 122.820 0.214 0.000 1.898 188 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 188 A C 2.269 179.779 177.584 -0.123 0.000 1.181 188 A CA 2.233 54.289 52.037 0.031 0.000 0.620 188 A CB -1.452 17.552 19.000 0.007 0.000 0.819 188 A HN 0.605 nan 8.150 nan 0.000 0.442 189 T N -2.167 112.339 114.554 -0.080 0.000 2.812 189 T HA -0.144 4.206 4.350 -0.000 0.000 0.264 189 T C 2.023 176.714 174.700 -0.016 0.000 1.042 189 T CA 1.224 63.270 62.100 -0.089 0.000 1.140 189 T CB -0.376 68.511 68.868 0.031 0.000 0.870 189 T HN 0.462 nan 8.240 nan 0.000 0.445 190 R N 1.455 121.954 120.500 -0.002 0.000 2.083 190 R HA -0.106 4.234 4.340 -0.000 0.000 0.237 190 R C 2.643 178.928 176.300 -0.025 0.000 1.137 190 R CA 1.798 57.907 56.100 0.015 0.000 0.951 190 R CB -0.326 30.004 30.300 0.050 0.000 0.851 190 R HN 0.474 nan 8.270 nan 0.000 0.434 191 K N -0.076 120.235 120.400 -0.149 0.000 2.152 191 K HA -0.117 4.202 4.320 -0.000 0.000 0.206 191 K C 1.009 177.447 176.600 -0.271 0.000 1.048 191 K CA 1.620 57.652 56.287 -0.424 0.000 0.933 191 K CB 0.039 32.074 32.500 -0.774 0.000 0.721 191 K HN 0.260 nan 8.250 nan 0.000 0.447 192 N N -0.479 118.122 118.700 -0.165 0.000 2.230 192 N HA 0.034 4.774 4.740 -0.000 0.000 0.202 192 N C 0.195 175.767 175.510 0.103 0.000 1.119 192 N CA 0.794 53.803 53.050 -0.068 0.000 0.851 192 N CB 1.214 39.594 38.487 -0.178 0.000 0.990 192 N HN 0.394 nan 8.380 nan 0.000 0.497 193 G N 1.272 110.116 108.800 0.072 0.000 2.225 193 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.267 193 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.267 193 G C 0.012 175.001 174.900 0.148 0.000 1.024 193 G CA 0.016 45.161 45.100 0.075 0.000 0.784 193 G HN 0.196 nan 8.290 nan 0.000 0.507 194 F N 0.602 120.515 119.950 -0.062 0.000 2.440 194 F HA 0.481 5.008 4.527 -0.000 0.000 0.323 194 F C 1.465 177.268 175.800 0.005 0.000 1.192 194 F CA 0.084 58.073 58.000 -0.018 0.000 1.252 194 F CB 0.738 39.745 39.000 0.011 0.000 1.214 194 F HN -0.029 nan 8.300 nan 0.000 0.578 195 T N 1.417 116.059 114.554 0.147 0.000 2.733 195 T HA 0.287 4.636 4.350 -0.000 0.000 0.294 195 T C -0.208 174.587 174.700 0.158 0.000 0.956 195 T CA -0.495 61.672 62.100 0.112 0.000 0.987 195 T CB 0.280 69.207 68.868 0.097 0.000 0.920 195 T HN 0.409 nan 8.240 nan 0.000 0.470 196 T N 5.627 120.237 114.554 0.092 0.000 2.744 196 T HA 0.489 4.839 4.350 -0.000 0.000 0.291 196 T C 0.089 174.780 174.700 -0.015 0.000 0.957 196 T CA -0.511 61.624 62.100 0.058 0.000 1.002 196 T CB 0.282 69.161 68.868 0.019 0.000 0.919 196 T HN 0.428 nan 8.240 nan 0.000 0.468 197 M N 3.904 123.499 119.600 -0.008 0.000 2.364 197 M HA 0.560 5.040 4.480 -0.000 0.000 0.334 197 M C -0.904 175.338 176.300 -0.098 0.000 1.107 197 M CA -0.597 54.662 55.300 -0.067 0.000 0.988 197 M CB 1.801 34.368 32.600 -0.056 0.000 1.673 197 M HN 0.297 nan 8.290 nan 0.000 0.441 198 L N 1.541 122.683 121.223 -0.134 0.000 2.410 198 L HA 0.443 4.782 4.340 -0.000 0.000 0.270 198 L C -0.804 176.106 176.870 0.068 0.000 0.983 198 L CA -0.721 54.094 54.840 -0.042 0.000 0.822 198 L CB 2.126 44.181 42.059 -0.007 0.000 1.285 198 L HN 0.710 nan 8.230 nan 0.000 0.409 199 H N 3.005 122.023 119.070 -0.087 0.000 2.761 199 H HA 0.505 5.061 4.556 -0.000 0.000 0.284 199 H C -0.276 175.158 175.328 0.178 0.000 1.105 199 H CA -0.565 55.526 56.048 0.071 0.000 1.352 199 H CB 1.104 30.892 29.762 0.043 0.000 1.423 199 H HN 0.665 nan 8.280 nan 0.000 0.464 200 A N 5.760 128.828 122.820 0.413 0.000 2.838 200 A HA 0.255 4.575 4.320 -0.000 0.000 0.337 200 A C -0.361 177.353 177.584 0.217 0.000 1.383 200 A CA -0.565 51.654 52.037 0.303 0.000 0.985 200 A CB 0.075 19.224 19.000 0.248 0.000 1.157 200 A HN 0.861 nan 8.150 nan 0.000 0.497 201 E N 1.082 121.435 120.200 0.254 0.000 2.266 201 E HA 0.165 4.515 4.350 -0.000 0.000 0.268 201 E C -0.828 175.810 176.600 0.064 0.000 0.879 201 E CA -0.958 55.513 56.400 0.117 0.000 0.762 201 E CB 1.498 31.267 29.700 0.116 0.000 1.199 201 E HN 0.572 nan 8.360 nan 0.000 0.422 202 N N 2.012 120.730 118.700 0.029 0.000 2.400 202 N HA 0.005 4.744 4.740 -0.000 0.000 0.267 202 N C 0.819 176.337 175.510 0.015 0.000 1.208 202 N CA 0.226 53.291 53.050 0.024 0.000 0.951 202 N CB 0.994 39.487 38.487 0.009 0.000 1.227 202 N HN 0.755 nan 8.380 nan 0.000 0.488 203 G N 3.213 112.024 108.800 0.019 0.000 2.442 203 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.219 203 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.219 203 G C 1.043 175.964 174.900 0.034 0.000 1.141 203 G CA 0.543 45.648 45.100 0.009 0.000 0.763 203 G HN 0.522 nan 8.290 nan 0.000 0.554 204 D N 0.197 120.626 120.400 0.047 0.000 2.097 204 D HA -0.041 4.599 4.640 -0.000 0.000 0.195 204 D C 2.649 179.007 176.300 0.097 0.000 0.989 204 D CA 0.776 54.818 54.000 0.071 0.000 0.827 204 D CB -0.220 40.613 40.800 0.055 0.000 0.966 204 D HN 0.280 nan 8.370 nan 0.000 0.456 205 M N -0.167 119.466 119.600 0.054 0.000 2.117 205 M HA -0.140 4.340 4.480 -0.000 0.000 0.262 205 M C 2.186 178.547 176.300 0.102 0.000 1.065 205 M CA 0.840 56.172 55.300 0.054 0.000 1.114 205 M CB -0.128 32.470 32.600 -0.003 0.000 1.361 205 M HN -0.067 nan 8.290 nan 0.000 0.408 206 V N 0.630 120.581 119.914 0.061 0.000 2.255 206 V HA -0.320 3.800 4.120 -0.000 0.000 0.247 206 V C 2.338 178.487 176.094 0.092 0.000 1.051 206 V CA 2.112 64.444 62.300 0.054 0.000 1.018 206 V CB -0.785 31.038 31.823 -0.001 0.000 0.641 206 V HN 0.475 nan 8.190 nan 0.000 0.445 207 K N -1.360 119.092 120.400 0.087 0.000 2.032 207 K HA -0.279 4.040 4.320 -0.000 0.000 0.209 207 K C 2.037 178.699 176.600 0.103 0.000 1.048 207 K CA 2.274 58.604 56.287 0.072 0.000 0.927 207 K CB -0.345 32.193 32.500 0.063 0.000 0.712 207 K HN 0.544 nan 8.250 nan 0.000 0.441 208 W N 0.726 122.021 121.300 -0.009 0.000 2.355 208 W HA -0.229 4.431 4.660 -0.000 0.000 0.309 208 W C 2.196 178.713 176.519 -0.002 0.000 1.206 208 W CA 1.698 59.039 57.345 -0.007 0.000 1.284 208 W CB -0.189 29.267 29.460 -0.007 0.000 1.145 208 W HN 0.131 nan 8.180 nan 0.000 0.502 209 M N 0.180 120.036 119.600 0.427 0.000 2.175 209 M HA -0.114 4.366 4.480 -0.000 0.000 0.264 209 M C 1.809 178.195 176.300 0.144 0.000 1.063 209 M CA 1.698 57.189 55.300 0.319 0.000 1.119 209 M CB -0.852 31.893 32.600 0.242 0.000 1.377 209 M HN 0.080 nan 8.290 nan 0.000 0.415 210 I N -0.409 120.233 120.570 0.119 0.000 2.226 210 I HA -0.318 3.852 4.170 -0.000 0.000 0.245 210 I C 1.976 178.067 176.117 -0.044 0.000 1.100 210 I CA 1.498 62.861 61.300 0.105 0.000 1.374 210 I CB -0.550 37.479 38.000 0.048 0.000 1.057 210 I HN 0.353 nan 8.210 nan 0.000 0.413 211 E N 0.898 121.019 120.200 -0.133 0.000 2.110 211 E HA -0.195 4.154 4.350 -0.000 0.000 0.193 211 E C 2.327 178.773 176.600 -0.257 0.000 0.988 211 E CA 1.233 57.497 56.400 -0.226 0.000 0.804 211 E CB -0.186 29.332 29.700 -0.304 0.000 0.745 211 E HN 0.519 nan 8.360 nan 0.000 0.458 212 A N 0.997 123.639 122.820 -0.296 0.000 1.933 212 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 212 A C 2.153 179.676 177.584 -0.102 0.000 1.175 212 A CA 0.988 52.878 52.037 -0.246 0.000 0.628 212 A CB -0.488 18.410 19.000 -0.168 0.000 0.814 212 A HN 0.126 nan 8.150 nan 0.000 0.444 213 L N -0.976 120.224 121.223 -0.039 0.000 2.072 213 L HA -0.160 4.180 4.340 -0.000 0.000 0.205 213 L C 2.574 179.408 176.870 -0.059 0.000 1.079 213 L CA 1.500 56.327 54.840 -0.022 0.000 0.752 213 L CB -0.567 41.550 42.059 0.096 0.000 0.906 213 L HN 0.441 nan 8.230 nan 0.000 0.436 214 E N -0.087 120.070 120.200 -0.071 0.000 2.110 214 E HA -0.283 4.067 4.350 -0.000 0.000 0.193 214 E C 1.961 178.503 176.600 -0.097 0.000 0.988 214 E CA 1.209 57.546 56.400 -0.104 0.000 0.804 214 E CB 0.006 29.612 29.700 -0.158 0.000 0.745 214 E HN 0.317 nan 8.360 nan 0.000 0.458 215 E N 1.257 121.392 120.200 -0.109 0.000 2.160 215 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 215 E C 1.463 178.018 176.600 -0.075 0.000 0.991 215 E CA 1.398 57.739 56.400 -0.098 0.000 0.810 215 E CB 0.020 29.647 29.700 -0.122 0.000 0.742 215 E HN 0.256 nan 8.360 nan 0.000 0.466 216 Q N -1.236 118.518 119.800 -0.077 0.000 2.360 216 Q HA 0.203 4.543 4.340 -0.000 0.000 0.202 216 Q C 0.737 176.693 176.000 -0.073 0.000 0.915 216 Q CA 0.357 56.119 55.803 -0.068 0.000 0.943 216 Q CB 0.632 29.327 28.738 -0.071 0.000 1.064 216 Q HN 0.440 nan 8.270 nan 0.000 0.511 217 G N 1.305 110.062 108.800 -0.073 0.000 2.143 217 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.248 217 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.248 217 G C 0.037 174.893 174.900 -0.074 0.000 0.991 217 G CA -0.145 44.922 45.100 -0.055 0.000 0.689 217 G HN 0.315 nan 8.290 nan 0.000 0.522 218 L N 1.949 123.078 121.223 -0.157 0.000 2.389 218 L HA 0.379 4.719 4.340 -0.000 0.000 0.265 218 L C 1.595 178.423 176.870 -0.070 0.000 1.167 218 L CA 0.385 55.005 54.840 -0.367 0.000 1.045 218 L CB 0.284 41.831 42.059 -0.854 0.000 1.351 218 L HN 0.364 nan 8.230 nan 0.000 0.419 219 T N -4.466 110.179 114.554 0.152 0.000 3.003 219 T HA 0.126 4.475 4.350 -0.000 0.000 0.261 219 T C 0.600 175.602 174.700 0.504 0.000 1.003 219 T CA -0.515 61.773 62.100 0.313 0.000 0.917 219 T CB 0.254 69.178 68.868 0.093 0.000 1.084 219 T HN 0.180 nan 8.240 nan 0.000 0.522 220 D N 1.805 122.501 120.400 0.493 0.000 2.390 220 D HA 0.392 5.032 4.640 -0.000 0.000 0.236 220 D C 1.606 178.141 176.300 0.393 0.000 1.189 220 D CA 0.437 54.694 54.000 0.428 0.000 0.887 220 D CB 1.030 42.063 40.800 0.389 0.000 1.198 220 D HN 0.256 nan 8.370 nan 0.000 0.444 221 A N 2.292 125.258 122.820 0.243 0.000 1.948 221 A HA -0.280 4.039 4.320 -0.000 0.000 0.220 221 A C 2.015 179.613 177.584 0.023 0.000 1.177 221 A CA 1.564 53.672 52.037 0.118 0.000 0.636 221 A CB -1.017 17.974 19.000 -0.015 0.000 0.815 221 A HN 0.746 nan 8.150 nan 0.000 0.449 222 Y N -0.875 119.351 120.300 -0.123 0.000 2.333 222 Y HA -0.231 4.319 4.550 -0.000 0.000 0.290 222 Y C 1.706 177.347 175.900 -0.431 0.000 1.144 222 Y CA 1.681 59.613 58.100 -0.280 0.000 1.228 222 Y CB -0.437 37.804 38.460 -0.366 0.000 0.985 222 Y HN 0.414 nan 8.280 nan 0.000 0.542 223 Y N -1.138 118.936 120.300 -0.375 0.000 2.578 223 Y HA -0.091 4.459 4.550 -0.000 0.000 0.297 223 Y C 2.343 177.513 175.900 -1.216 0.000 1.176 223 Y CA 0.938 58.640 58.100 -0.663 0.000 1.315 223 Y CB -0.501 37.781 38.460 -0.297 0.000 1.031 223 Y HN 0.329 nan 8.280 nan 0.000 0.524 224 H N -0.242 118.111 119.070 -1.195 0.000 2.321 224 H HA -0.121 4.435 4.556 -0.000 0.000 0.300 224 H C 2.404 177.443 175.328 -0.480 0.000 1.087 224 H CA 1.843 57.351 56.048 -0.900 0.000 1.319 224 H CB -0.526 29.009 29.762 -0.380 0.000 1.379 224 H HN 0.281 nan 8.280 nan 0.000 0.501 225 G N -0.111 108.365 108.800 -0.540 0.000 2.418 225 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 225 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 225 G C 1.843 176.492 174.900 -0.419 0.000 1.158 225 G CA 1.187 46.004 45.100 -0.473 0.000 0.771 225 G HN 0.400 nan 8.290 nan 0.000 0.545 226 V N 1.962 121.597 119.914 -0.464 0.000 2.490 226 V HA -0.184 3.936 4.120 -0.000 0.000 0.250 226 V C 3.168 179.174 176.094 -0.147 0.000 1.061 226 V CA 2.166 64.311 62.300 -0.258 0.000 1.064 226 V CB -0.402 31.342 31.823 -0.132 0.000 0.670 226 V HN 0.615 nan 8.190 nan 0.000 0.461 227 S N 1.437 117.025 115.700 -0.187 0.000 2.474 227 S HA -0.136 4.334 4.470 -0.000 0.000 0.235 227 S C 1.170 175.734 174.600 -0.060 0.000 0.997 227 S CA 0.698 58.867 58.200 -0.053 0.000 0.949 227 S CB -0.193 63.029 63.200 0.037 0.000 0.766 227 S HN 0.823 nan 8.310 nan 0.000 0.517 228 R N 0.288 120.700 120.500 -0.146 0.000 2.684 228 R HA 0.397 4.737 4.340 -0.000 0.000 0.252 228 R C -3.378 172.840 176.300 -0.136 0.000 1.628 228 R CA -1.461 54.563 56.100 -0.126 0.000 1.622 228 R CB 0.141 30.352 30.300 -0.149 0.000 1.418 228 R HN 0.195 nan 8.270 nan 0.000 0.697 229 P HA 0.104 nan 4.420 nan 0.000 0.273 229 P C 0.499 177.748 177.300 -0.085 0.000 1.250 229 P CA -0.207 62.836 63.100 -0.095 0.000 0.793 229 P CB 0.951 32.610 31.700 -0.068 0.000 1.011 230 S N 0.216 115.869 115.700 -0.078 0.000 2.402 230 S HA -0.175 4.295 4.470 -0.000 0.000 0.233 230 S C 1.871 176.430 174.600 -0.070 0.000 1.030 230 S CA 0.911 59.064 58.200 -0.078 0.000 1.003 230 S CB -0.933 62.228 63.200 -0.065 0.000 0.813 230 S HN 0.494 nan 8.310 nan 0.000 0.477 231 I N 1.294 121.829 120.570 -0.059 0.000 2.423 231 I HA -0.166 4.004 4.170 -0.000 0.000 0.254 231 I C 1.767 177.851 176.117 -0.054 0.000 1.151 231 I CA 0.922 62.189 61.300 -0.054 0.000 1.421 231 I CB -0.008 37.964 38.000 -0.047 0.000 1.079 231 I HN 0.142 nan 8.210 nan 0.000 0.431 232 V N 0.422 120.303 119.914 -0.055 0.000 2.379 232 V HA -0.260 3.860 4.120 -0.000 0.000 0.245 232 V C 2.348 178.416 176.094 -0.042 0.000 1.044 232 V CA 2.093 64.366 62.300 -0.045 0.000 1.036 232 V CB -0.624 31.173 31.823 -0.044 0.000 0.664 232 V HN 0.492 nan 8.190 nan 0.000 0.453 233 E N 0.478 120.644 120.200 -0.058 0.000 2.106 233 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 233 E C 2.255 178.801 176.600 -0.090 0.000 0.984 233 E CA 1.230 57.592 56.400 -0.064 0.000 0.806 233 E CB -0.352 29.292 29.700 -0.094 0.000 0.750 233 E HN 0.561 nan 8.360 nan 0.000 0.458 234 G N 1.455 110.201 108.800 -0.089 0.000 2.421 234 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.216 234 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.216 234 G C 1.510 176.358 174.900 -0.086 0.000 1.171 234 G CA 0.795 45.837 45.100 -0.098 0.000 0.775 234 G HN 0.242 nan 8.290 nan 0.000 0.543 235 E N 1.263 121.428 120.200 -0.059 0.000 2.038 235 E HA -0.152 4.198 4.350 -0.000 0.000 0.195 235 E C 2.824 179.407 176.600 -0.029 0.000 1.000 235 E CA 1.511 57.886 56.400 -0.042 0.000 0.803 235 E CB -0.545 29.135 29.700 -0.033 0.000 0.750 235 E HN 0.273 nan 8.360 nan 0.000 0.448 236 A N 0.059 122.868 122.820 -0.019 0.000 1.930 236 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 236 A C 2.449 180.042 177.584 0.014 0.000 1.175 236 A CA 2.012 54.062 52.037 0.021 0.000 0.627 236 A CB -0.827 18.205 19.000 0.053 0.000 0.815 236 A HN 0.366 nan 8.150 nan 0.000 0.443 237 T N 0.215 114.709 114.554 -0.101 0.000 2.746 237 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 237 T C 1.914 176.510 174.700 -0.174 0.000 1.039 237 T CA 1.657 63.565 62.100 -0.320 0.000 1.142 237 T CB -0.435 68.082 68.868 -0.585 0.000 0.866 237 T HN 0.693 nan 8.240 nan 0.000 0.444 238 N N 0.902 119.540 118.700 -0.104 0.000 2.120 238 N HA -0.116 4.624 4.740 -0.000 0.000 0.188 238 N C 1.954 177.474 175.510 0.017 0.000 1.024 238 N CA 1.226 54.251 53.050 -0.041 0.000 0.852 238 N CB -0.115 38.347 38.487 -0.041 0.000 1.003 238 N HN 0.297 nan 8.380 nan 0.000 0.424 239 R N -0.210 120.308 120.500 0.030 0.000 2.081 239 R HA -0.048 4.292 4.340 -0.000 0.000 0.235 239 R C 1.995 178.353 176.300 0.098 0.000 1.131 239 R CA 1.513 57.647 56.100 0.056 0.000 0.960 239 R CB -0.412 29.921 30.300 0.055 0.000 0.856 239 R HN 0.304 nan 8.270 nan 0.000 0.436 240 A N 0.905 123.820 122.820 0.158 0.000 1.898 240 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 240 A C 2.159 179.881 177.584 0.229 0.000 1.181 240 A CA 1.322 53.498 52.037 0.232 0.000 0.620 240 A CB -0.482 18.771 19.000 0.423 0.000 0.819 240 A HN 0.373 nan 8.150 nan 0.000 0.442 241 I N -0.196 120.541 120.570 0.278 0.000 2.127 241 I HA -0.277 3.892 4.170 -0.000 0.000 0.241 241 I C 2.624 178.791 176.117 0.083 0.000 1.075 241 I CA 1.908 63.317 61.300 0.182 0.000 1.334 241 I CB -0.823 37.258 38.000 0.134 0.000 1.040 241 I HN 0.277 nan 8.210 nan 0.000 0.405 242 T N 1.566 116.162 114.554 0.069 0.000 2.699 242 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 242 T C 1.922 176.652 174.700 0.051 0.000 1.036 242 T CA 1.437 63.566 62.100 0.048 0.000 1.147 242 T CB -0.460 68.432 68.868 0.040 0.000 0.862 242 T HN 0.251 nan 8.240 nan 0.000 0.446 243 L N 0.762 122.022 121.223 0.062 0.000 2.017 243 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 243 L C 3.117 180.018 176.870 0.051 0.000 1.073 243 L CA 1.375 56.250 54.840 0.059 0.000 0.745 243 L CB -0.783 41.316 42.059 0.066 0.000 0.894 243 L HN 0.255 nan 8.230 nan 0.000 0.432 244 A N -0.407 122.431 122.820 0.030 0.000 1.972 244 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 244 A C 2.355 179.918 177.584 -0.036 0.000 1.169 244 A CA 2.257 54.286 52.037 -0.013 0.000 0.635 244 A CB -0.842 18.126 19.000 -0.053 0.000 0.810 244 A HN 0.427 nan 8.150 nan 0.000 0.446 245 T N -0.363 114.181 114.554 -0.017 0.000 2.701 245 T HA -0.114 4.236 4.350 -0.000 0.000 0.263 245 T C 2.010 176.716 174.700 0.010 0.000 1.040 245 T CA 1.891 63.971 62.100 -0.033 0.000 1.147 245 T CB -0.661 68.202 68.868 -0.008 0.000 0.865 245 T HN 0.508 nan 8.240 nan 0.000 0.426 246 T N 2.101 116.701 114.554 0.078 0.000 2.803 246 T HA -0.018 4.332 4.350 -0.000 0.000 0.269 246 T C 1.540 176.432 174.700 0.321 0.000 1.052 246 T CA 0.950 63.156 62.100 0.176 0.000 1.136 246 T CB -0.171 68.767 68.868 0.117 0.000 0.864 246 T HN 0.191 nan 8.240 nan 0.000 0.467 247 M N 0.719 120.443 119.600 0.208 0.000 2.371 247 M HA 0.210 4.689 4.480 -0.000 0.000 0.246 247 M C 0.477 176.791 176.300 0.024 0.000 1.103 247 M CA 0.026 55.514 55.300 0.314 0.000 1.010 247 M CB -0.790 31.947 32.600 0.229 0.000 1.457 247 M HN 0.143 nan 8.290 nan 0.000 0.486 248 D N 2.243 122.444 120.400 -0.331 0.000 2.704 248 D HA -0.148 4.492 4.640 -0.000 0.000 0.232 248 D C -0.955 175.157 176.300 -0.313 0.000 1.183 248 D CA 0.820 54.452 54.000 -0.613 0.000 0.647 248 D CB -0.441 39.438 40.800 -1.535 0.000 1.013 248 D HN 0.209 nan 8.370 nan 0.000 0.415 249 T N 1.505 115.960 114.554 -0.166 0.000 2.809 249 T HA 0.503 4.852 4.350 -0.000 0.000 0.284 249 T C -2.420 172.207 174.700 -0.123 0.000 0.992 249 T CA -1.272 60.771 62.100 -0.095 0.000 0.957 249 T CB 1.982 70.838 68.868 -0.021 0.000 0.942 249 T HN -0.058 nan 8.240 nan 0.000 0.439 250 P HA 0.280 nan 4.420 nan 0.000 0.265 250 P C -0.747 176.461 177.300 -0.154 0.000 1.187 250 P CA -0.144 62.860 63.100 -0.160 0.000 0.766 250 P CB 0.537 32.198 31.700 -0.065 0.000 0.820 251 I N 2.864 123.281 120.570 -0.255 0.000 2.656 251 I HA 0.444 4.613 4.170 -0.000 0.000 0.292 251 I C -1.585 174.339 176.117 -0.321 0.000 1.144 251 I CA -1.132 59.992 61.300 -0.294 0.000 1.038 251 I CB 1.621 39.388 38.000 -0.389 0.000 1.244 251 I HN 0.149 nan 8.210 nan 0.000 0.420 252 L N 7.283 128.348 121.223 -0.263 0.000 2.333 252 L HA 0.572 4.911 4.340 -0.000 0.000 0.280 252 L C -1.469 175.232 176.870 -0.283 0.000 1.004 252 L CA -0.351 54.399 54.840 -0.150 0.000 0.820 252 L CB 1.253 43.316 42.059 0.007 0.000 1.247 252 L HN 0.464 nan 8.230 nan 0.000 0.416 253 F N 5.069 125.052 119.950 0.054 0.000 2.411 253 F HA 0.369 4.896 4.527 -0.000 0.000 0.355 253 F C 0.512 176.319 175.800 0.012 0.000 1.117 253 F CA -0.677 57.340 58.000 0.028 0.000 1.139 253 F CB 1.362 40.388 39.000 0.044 0.000 1.120 253 F HN 0.253 nan 8.300 nan 0.000 0.493 254 V N 1.179 121.134 119.914 0.068 0.000 2.834 254 V HA 0.271 4.391 4.120 -0.000 0.000 0.301 254 V C -0.032 175.927 176.094 -0.225 0.000 1.066 254 V CA -1.063 61.181 62.300 -0.093 0.000 1.052 254 V CB 0.667 32.367 31.823 -0.204 0.000 1.021 254 V HN 0.961 nan 8.190 nan 0.000 0.480 255 H N 0.452 119.579 119.070 0.096 0.000 2.133 255 H HA -0.131 4.425 4.556 -0.000 0.000 0.319 255 H C -0.448 174.739 175.328 -0.236 0.000 0.911 255 H CA 0.307 56.340 56.048 -0.025 0.000 1.058 255 H CB -2.674 27.120 29.762 0.054 0.000 1.594 255 H HN 0.648 nan 8.280 nan 0.000 0.331 256 V N 1.319 121.187 119.914 -0.078 0.000 2.555 256 V HA 0.275 4.395 4.120 -0.000 0.000 0.286 256 V C 1.366 177.215 176.094 -0.408 0.000 1.044 256 V CA 0.667 62.879 62.300 -0.148 0.000 1.026 256 V CB 1.440 33.317 31.823 0.089 0.000 0.981 256 V HN 0.947 nan 8.190 nan 0.000 0.480 257 S N 1.452 116.889 115.700 -0.438 0.000 2.684 257 S HA 0.130 4.600 4.470 -0.000 0.000 0.268 257 S C 0.622 175.081 174.600 -0.236 0.000 1.075 257 S CA 0.305 58.181 58.200 -0.539 0.000 1.184 257 S CB 0.460 63.028 63.200 -1.054 0.000 1.129 257 S HN 0.691 nan 8.310 nan 0.000 0.630 258 S N 2.380 117.984 115.700 -0.160 0.000 2.457 258 S HA 0.571 5.040 4.470 -0.000 0.000 0.289 258 S C -1.973 172.602 174.600 -0.042 0.000 1.163 258 S CA -1.454 56.688 58.200 -0.097 0.000 1.078 258 S CB 1.254 64.389 63.200 -0.108 0.000 0.987 258 S HN 0.057 nan 8.310 nan 0.000 0.482 259 P HA -0.088 nan 4.420 nan 0.000 0.216 259 P C 1.055 178.336 177.300 -0.031 0.000 1.150 259 P CA 1.103 64.198 63.100 -0.009 0.000 0.837 259 P CB 0.140 31.837 31.700 -0.005 0.000 0.786 260 Q N -0.644 119.128 119.800 -0.047 0.000 2.119 260 Q HA -0.049 4.291 4.340 -0.000 0.000 0.201 260 Q C 2.253 178.203 176.000 -0.083 0.000 0.972 260 Q CA 1.777 57.545 55.803 -0.059 0.000 0.847 260 Q CB -1.244 27.459 28.738 -0.059 0.000 0.903 260 Q HN 0.171 nan 8.270 nan 0.000 0.433 261 A N 0.703 123.463 122.820 -0.100 0.000 1.877 261 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 261 A C 2.284 179.788 177.584 -0.132 0.000 1.186 261 A CA 1.672 53.617 52.037 -0.154 0.000 0.620 261 A CB -1.103 17.794 19.000 -0.172 0.000 0.822 261 A HN 0.379 nan 8.150 nan 0.000 0.443 262 A N -0.387 122.397 122.820 -0.061 0.000 1.940 262 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 262 A C 2.028 179.546 177.584 -0.109 0.000 1.176 262 A CA 1.983 53.977 52.037 -0.073 0.000 0.631 262 A CB -0.553 18.436 19.000 -0.019 0.000 0.814 262 A HN 0.709 nan 8.150 nan 0.000 0.446 263 E N -0.001 120.149 120.200 -0.083 0.000 2.047 263 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 263 E C 1.974 178.528 176.600 -0.077 0.000 0.987 263 E CA 1.875 58.231 56.400 -0.074 0.000 0.799 263 E CB -0.202 29.464 29.700 -0.055 0.000 0.752 263 E HN 0.536 nan 8.360 nan 0.000 0.449 264 V N -0.785 119.077 119.914 -0.087 0.000 2.548 264 V HA -0.161 3.959 4.120 -0.000 0.000 0.249 264 V C 2.249 178.294 176.094 -0.082 0.000 1.055 264 V CA 1.222 63.473 62.300 -0.082 0.000 1.065 264 V CB -0.624 31.145 31.823 -0.089 0.000 0.681 264 V HN 0.224 nan 8.190 nan 0.000 0.462 265 I N 0.609 121.115 120.570 -0.107 0.000 2.179 265 I HA -0.202 3.967 4.170 -0.000 0.000 0.242 265 I C 2.673 178.749 176.117 -0.069 0.000 1.088 265 I CA 2.225 63.483 61.300 -0.071 0.000 1.357 265 I CB -0.403 37.552 38.000 -0.075 0.000 1.051 265 I HN 0.333 nan 8.210 nan 0.000 0.409 266 K N 1.308 121.650 120.400 -0.098 0.000 2.032 266 K HA -0.232 4.088 4.320 -0.000 0.000 0.209 266 K C 2.072 178.634 176.600 -0.064 0.000 1.048 266 K CA 1.752 57.984 56.287 -0.093 0.000 0.927 266 K CB -0.319 32.119 32.500 -0.103 0.000 0.712 266 K HN 0.302 nan 8.250 nan 0.000 0.441 267 Q N -0.585 119.181 119.800 -0.057 0.000 2.135 267 Q HA -0.125 4.215 4.340 -0.000 0.000 0.204 267 Q C 2.082 178.058 176.000 -0.040 0.000 0.981 267 Q CA 1.655 57.431 55.803 -0.044 0.000 0.856 267 Q CB -0.249 28.465 28.738 -0.039 0.000 0.902 267 Q HN 0.489 nan 8.270 nan 0.000 0.425 268 A N 0.770 123.566 122.820 -0.040 0.000 1.898 268 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 268 A C 1.946 179.498 177.584 -0.054 0.000 1.181 268 A CA 1.271 53.284 52.037 -0.040 0.000 0.620 268 A CB -0.392 18.593 19.000 -0.025 0.000 0.819 268 A HN 0.321 nan 8.150 nan 0.000 0.442 269 Q N -0.783 118.984 119.800 -0.055 0.000 2.124 269 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 269 Q C 2.130 178.102 176.000 -0.045 0.000 0.977 269 Q CA 1.959 57.728 55.803 -0.057 0.000 0.850 269 Q CB -0.402 28.306 28.738 -0.050 0.000 0.901 269 Q HN 0.664 nan 8.270 nan 0.000 0.429 270 T N 0.925 115.454 114.554 -0.042 0.000 2.788 270 T HA -0.126 4.223 4.350 -0.000 0.000 0.268 270 T C 1.499 176.180 174.700 -0.032 0.000 1.044 270 T CA 1.126 63.206 62.100 -0.034 0.000 1.139 270 T CB -0.070 68.778 68.868 -0.033 0.000 0.867 270 T HN 0.199 nan 8.240 nan 0.000 0.454 271 K N 0.134 120.512 120.400 -0.036 0.000 2.442 271 K HA 0.095 4.415 4.320 -0.000 0.000 0.198 271 K C 1.581 178.156 176.600 -0.042 0.000 1.042 271 K CA 0.587 56.853 56.287 -0.035 0.000 0.958 271 K CB -0.040 32.438 32.500 -0.036 0.000 0.766 271 K HN 0.457 nan 8.250 nan 0.000 0.474 272 G N 0.928 109.699 108.800 -0.048 0.000 2.157 272 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.239 272 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.239 272 G C 0.035 174.887 174.900 -0.081 0.000 0.982 272 G CA -0.276 44.792 45.100 -0.053 0.000 0.650 272 G HN 0.122 nan 8.290 nan 0.000 0.527 273 L N 0.312 121.478 121.223 -0.095 0.000 2.456 273 L HA 0.258 4.598 4.340 -0.000 0.000 0.272 273 L C 1.130 177.880 176.870 -0.199 0.000 1.189 273 L CA 0.110 54.869 54.840 -0.134 0.000 0.846 273 L CB 0.460 42.451 42.059 -0.114 0.000 1.111 273 L HN 0.034 nan 8.230 nan 0.000 0.475 274 K N 2.694 122.936 120.400 -0.264 0.000 2.111 274 K HA 0.267 4.587 4.320 -0.000 0.000 0.249 274 K C -1.108 175.081 176.600 -0.685 0.000 1.157 274 K CA -0.146 55.856 56.287 -0.475 0.000 1.048 274 K CB 0.225 32.515 32.500 -0.349 0.000 1.498 274 K HN 0.270 nan 8.250 nan 0.000 0.344 275 V N 4.242 123.777 119.914 -0.632 0.000 2.407 275 V HA 0.310 4.430 4.120 -0.000 0.000 0.291 275 V C -0.739 175.100 176.094 -0.425 0.000 1.018 275 V CA -0.909 61.127 62.300 -0.439 0.000 0.842 275 V CB 0.404 32.167 31.823 -0.100 0.000 0.996 275 V HN 0.460 nan 8.190 nan 0.000 0.426 276 Y N 2.536 122.820 120.300 -0.027 0.000 2.534 276 Y HA 0.872 5.421 4.550 -0.000 0.000 0.329 276 Y C 0.444 176.401 175.900 0.095 0.000 1.154 276 Y CA -0.935 57.161 58.100 -0.008 0.000 1.192 276 Y CB 2.018 40.422 38.460 -0.092 0.000 1.275 276 Y HN 0.675 nan 8.280 nan 0.000 0.491 277 A N 1.072 124.086 122.820 0.323 0.000 2.572 277 A HA 0.603 4.922 4.320 -0.000 0.000 0.295 277 A C -1.600 176.194 177.584 0.349 0.000 1.072 277 A CA -0.765 51.499 52.037 0.379 0.000 0.691 277 A CB 2.084 21.371 19.000 0.479 0.000 1.291 277 A HN 0.743 nan 8.150 nan 0.000 0.404 278 E N 0.458 120.822 120.200 0.272 0.000 2.256 278 E HA 0.678 5.027 4.350 -0.000 0.000 0.267 278 E C -0.945 175.622 176.600 -0.055 0.000 0.892 278 E CA -0.314 56.174 56.400 0.147 0.000 0.775 278 E CB 2.146 31.948 29.700 0.170 0.000 1.207 278 E HN 0.666 nan 8.360 nan 0.000 0.420 279 T N 1.271 115.684 114.554 -0.234 0.000 2.831 279 T HA 0.626 4.975 4.350 -0.000 0.000 0.287 279 T C -1.336 173.310 174.700 -0.091 0.000 1.070 279 T CA -0.341 61.551 62.100 -0.346 0.000 1.010 279 T CB 1.043 69.329 68.868 -0.971 0.000 1.264 279 T HN 0.639 nan 8.240 nan 0.000 0.532 280 C N 2.076 121.388 119.300 0.020 0.000 2.797 280 C HA 0.495 4.955 4.460 -0.000 0.000 0.306 280 C C -1.498 173.425 174.990 -0.112 0.000 1.207 280 C CA -1.170 57.849 59.018 0.000 0.000 1.507 280 C CB 1.656 29.418 27.740 0.036 0.000 2.028 280 C HN 0.671 nan 8.230 nan 0.000 0.475 281 P HA -0.239 nan 4.420 nan 0.000 0.216 281 P C 1.735 178.944 177.300 -0.152 0.000 1.154 281 P CA 1.698 64.707 63.100 -0.152 0.000 0.865 281 P CB -0.007 31.631 31.700 -0.105 0.000 0.789 282 Q N -0.999 118.714 119.800 -0.145 0.000 2.234 282 Q HA -0.209 4.131 4.340 -0.000 0.000 0.206 282 Q C 1.585 177.394 176.000 -0.317 0.000 0.980 282 Q CA 1.823 57.515 55.803 -0.186 0.000 0.869 282 Q CB -1.510 27.043 28.738 -0.309 0.000 0.912 282 Q HN 0.406 nan 8.270 nan 0.000 0.436 283 Y N 0.440 120.680 120.300 -0.100 0.000 2.544 283 Y HA 0.198 4.748 4.550 -0.000 0.000 0.286 283 Y C 2.416 178.197 175.900 -0.199 0.000 1.141 283 Y CA 0.477 58.492 58.100 -0.141 0.000 1.299 283 Y CB 0.183 38.539 38.460 -0.173 0.000 1.030 283 Y HN 0.290 nan 8.280 nan 0.000 0.543 284 A N -0.934 121.766 122.820 -0.200 0.000 2.197 284 A HA 0.213 4.533 4.320 -0.000 0.000 0.210 284 A C 1.592 179.113 177.584 -0.104 0.000 1.180 284 A CA 0.458 52.259 52.037 -0.393 0.000 0.846 284 A CB -0.168 18.140 19.000 -1.153 0.000 0.884 284 A HN 0.439 nan 8.150 nan 0.000 0.487 285 L N -1.025 120.167 121.223 -0.051 0.000 2.642 285 L HA 0.379 4.719 4.340 -0.000 0.000 0.233 285 L C -0.212 176.669 176.870 0.017 0.000 1.077 285 L CA 0.150 54.999 54.840 0.014 0.000 0.879 285 L CB 0.292 42.322 42.059 -0.049 0.000 1.151 285 L HN 0.139 nan 8.230 nan 0.000 0.495 286 L N -0.453 120.770 121.223 0.000 0.000 2.342 286 L HA 0.555 4.894 4.340 -0.000 0.000 0.271 286 L C -0.124 176.730 176.870 -0.026 0.000 1.008 286 L CA -0.454 54.361 54.840 -0.040 0.000 0.818 286 L CB 2.039 44.044 42.059 -0.090 0.000 1.296 286 L HN -0.007 nan 8.230 nan 0.000 0.427 287 S N -1.811 113.865 115.700 -0.040 0.000 2.638 287 S HA 0.303 4.773 4.470 -0.000 0.000 0.302 287 S C 0.178 174.763 174.600 -0.025 0.000 1.096 287 S CA -0.615 57.581 58.200 -0.006 0.000 0.953 287 S CB 1.776 64.990 63.200 0.023 0.000 1.107 287 S HN 0.731 nan 8.310 nan 0.000 0.503 288 D N 0.794 121.207 120.400 0.021 0.000 2.378 288 D HA -0.003 4.636 4.640 -0.000 0.000 0.222 288 D C 1.682 178.038 176.300 0.092 0.000 0.980 288 D CA 1.005 55.035 54.000 0.050 0.000 0.907 288 D CB -0.642 40.198 40.800 0.067 0.000 0.899 288 D HN 0.635 nan 8.370 nan 0.000 0.527 289 A N 0.495 123.359 122.820 0.072 0.000 2.024 289 A HA -0.109 4.211 4.320 -0.000 0.000 0.220 289 A C 2.107 179.745 177.584 0.089 0.000 1.164 289 A CA 0.943 53.051 52.037 0.118 0.000 0.643 289 A CB -0.772 18.329 19.000 0.169 0.000 0.806 289 A HN 0.304 nan 8.150 nan 0.000 0.451 290 I N 0.539 121.016 120.570 -0.155 0.000 3.001 290 I HA -0.108 4.062 4.170 -0.000 0.000 0.268 290 I C 2.187 178.100 176.117 -0.339 0.000 1.267 290 I CA 1.825 62.826 61.300 -0.499 0.000 1.472 290 I CB -0.155 37.363 38.000 -0.804 0.000 1.089 290 I HN 0.452 nan 8.210 nan 0.000 0.468 291 T N -1.621 112.883 114.554 -0.084 0.000 3.107 291 T HA 0.162 4.512 4.350 -0.000 0.000 0.249 291 T C 0.692 175.428 174.700 0.060 0.000 1.096 291 T CA -0.356 61.766 62.100 0.036 0.000 1.012 291 T CB -0.240 68.687 68.868 0.099 0.000 0.977 291 T HN 0.457 nan 8.240 nan 0.000 0.527 292 R N -0.343 120.181 120.500 0.040 0.000 2.710 292 R HA 0.638 4.978 4.340 -0.000 0.000 0.270 292 R C -0.480 175.873 176.300 0.088 0.000 1.021 292 R CA -0.940 55.161 56.100 0.001 0.000 0.889 292 R CB 0.163 30.357 30.300 -0.177 0.000 1.243 292 R HN 0.226 nan 8.270 nan 0.000 0.464 293 C N 0.310 119.625 119.300 0.024 0.000 2.689 293 C HA 0.743 5.203 4.460 -0.000 0.000 0.409 293 C C 0.004 174.915 174.990 -0.132 0.000 1.293 293 C CA 0.248 59.291 59.018 0.041 0.000 2.136 293 C CB -0.533 27.189 27.740 -0.030 0.000 2.719 293 C HN 0.917 nan 8.230 nan 0.000 0.644 304 V N -0.495 119.486 119.914 0.111 0.000 3.649 304 V HA 0.632 4.752 4.120 -0.000 0.000 0.275 304 V C 1.027 177.272 176.094 0.252 0.000 1.281 304 V CA 0.849 63.231 62.300 0.138 0.000 1.143 304 V CB -0.073 31.843 31.823 0.155 0.000 0.892 304 V HN 0.454 nan 8.190 nan 0.000 0.441 305 G N -0.117 108.805 108.800 0.204 0.000 2.938 305 G HA2 0.664 4.624 3.960 -0.000 0.000 0.258 305 G HA3 0.664 4.624 3.960 -0.000 0.000 0.258 305 G C -0.470 174.490 174.900 0.101 0.000 1.356 305 G CA -1.251 43.949 45.100 0.167 0.000 1.052 305 G HN 0.263 nan 8.290 nan 0.000 0.550 306 I N 0.758 121.307 120.570 -0.035 0.000 2.648 306 I HA 0.025 4.195 4.170 -0.000 0.000 0.284 306 I C 0.027 176.189 176.117 0.074 0.000 1.153 306 I CA -0.280 61.006 61.300 -0.023 0.000 1.426 306 I CB 0.877 38.827 38.000 -0.084 0.000 1.381 306 I HN 0.299 nan 8.210 nan 0.000 0.571 307 D N 6.461 126.939 120.400 0.130 0.000 2.368 307 D HA -0.002 4.638 4.640 -0.000 0.000 0.268 307 D C 0.927 177.279 176.300 0.086 0.000 1.298 307 D CA 0.349 54.416 54.000 0.113 0.000 0.938 307 D CB 0.660 41.534 40.800 0.124 0.000 1.101 307 D HN 0.414 nan 8.370 nan 0.000 0.509 308 L N 2.898 124.163 121.223 0.070 0.000 2.201 308 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 308 L C 2.335 179.210 176.870 0.008 0.000 1.105 308 L CA 1.119 55.944 54.840 -0.026 0.000 0.775 308 L CB -0.503 41.520 42.059 -0.061 0.000 0.913 308 L HN 0.436 nan 8.230 nan 0.000 0.440 309 S N -1.292 114.530 115.700 0.204 0.000 2.515 309 S HA -0.102 4.368 4.470 -0.000 0.000 0.231 309 S C 1.968 176.661 174.600 0.155 0.000 0.987 309 S CA 0.751 59.122 58.200 0.285 0.000 0.936 309 S CB -0.252 63.099 63.200 0.251 0.000 0.766 309 S HN 0.504 nan 8.310 nan 0.000 0.528 310 S N 0.858 116.623 115.700 0.108 0.000 2.528 310 S HA 0.293 4.763 4.470 -0.000 0.000 0.219 310 S C 0.561 175.212 174.600 0.085 0.000 0.985 310 S CA -0.608 57.651 58.200 0.098 0.000 0.914 310 S CB -0.744 62.522 63.200 0.109 0.000 0.776 310 S HN 0.549 nan 8.310 nan 0.000 0.526 311 I N 3.050 123.649 120.570 0.048 0.000 2.556 311 I HA 0.121 4.291 4.170 -0.000 0.000 0.284 311 I C 0.182 176.328 176.117 0.048 0.000 1.114 311 I CA -0.209 61.114 61.300 0.037 0.000 1.418 311 I CB 0.839 38.807 38.000 -0.052 0.000 1.394 311 I HN 0.136 nan 8.210 nan 0.000 0.552 312 S N 5.409 121.158 115.700 0.081 0.000 2.586 312 S HA 0.188 4.658 4.470 -0.000 0.000 0.274 312 S C 0.119 174.778 174.600 0.098 0.000 1.281 312 S CA -0.447 57.805 58.200 0.087 0.000 1.035 312 S CB 0.961 64.213 63.200 0.087 0.000 0.962 312 S HN 0.637 nan 8.310 nan 0.000 0.512 313 E N 0.099 120.359 120.200 0.100 0.000 2.298 313 E HA -0.142 4.208 4.350 -0.000 0.000 0.235 313 E C -0.271 176.364 176.600 0.058 0.000 1.167 313 E CA 0.749 57.215 56.400 0.110 0.000 0.708 313 E CB -2.121 27.683 29.700 0.174 0.000 1.236 313 E HN 0.726 nan 8.360 nan 0.000 0.386 314 S N -2.455 113.280 115.700 0.059 0.000 2.745 314 S HA 0.736 5.206 4.470 -0.000 0.000 0.306 314 S C -2.273 172.361 174.600 0.057 0.000 1.137 314 S CA -1.331 56.894 58.200 0.042 0.000 0.900 314 S CB 2.697 65.833 63.200 -0.106 0.000 1.176 314 S HN -0.223 nan 8.310 nan 0.000 0.520 315 P HA 0.042 nan 4.420 nan 0.000 0.221 315 P C 0.950 178.432 177.300 0.304 0.000 1.145 315 P CA 1.186 64.376 63.100 0.149 0.000 0.795 315 P CB -0.144 31.641 31.700 0.142 0.000 0.775 316 F N -0.224 119.726 119.950 0.000 0.000 2.113 316 F HA -0.154 4.372 4.527 -0.000 0.000 0.297 316 F C 2.378 178.191 175.800 0.021 0.000 1.103 316 F CA 1.431 59.437 58.000 0.009 0.000 1.248 316 F CB -1.030 37.973 39.000 0.006 0.000 0.999 316 F HN 0.012 nan 8.300 nan 0.000 0.475 317 T N -3.378 111.316 114.554 0.234 0.000 3.035 317 T HA 0.006 4.356 4.350 -0.000 0.000 0.259 317 T C 0.693 175.462 174.700 0.115 0.000 1.078 317 T CA 0.429 62.617 62.100 0.146 0.000 1.132 317 T CB -0.262 68.679 68.868 0.122 0.000 0.900 317 T HN 0.092 nan 8.240 nan 0.000 0.480 318 N N 2.459 121.229 118.700 0.116 0.000 2.886 318 N HA 0.208 4.947 4.740 -0.000 0.000 0.285 318 N C -2.208 173.359 175.510 0.095 0.000 1.706 318 N CA -1.154 51.957 53.050 0.102 0.000 0.904 318 N CB 1.784 40.336 38.487 0.109 0.000 1.224 318 N HN 0.347 nan 8.380 nan 0.000 0.488 319 P HA -0.045 nan 4.420 nan 0.000 0.223 319 P C 0.556 177.892 177.300 0.060 0.000 1.151 319 P CA 0.878 64.016 63.100 0.063 0.000 0.787 319 P CB 0.578 32.299 31.700 0.036 0.000 0.788 320 D N 0.094 120.533 120.400 0.065 0.000 2.144 320 D HA -0.114 4.526 4.640 -0.000 0.000 0.199 320 D C 0.640 176.993 176.300 0.088 0.000 0.984 320 D CA 1.253 55.293 54.000 0.066 0.000 0.834 320 D CB -0.743 40.094 40.800 0.062 0.000 0.955 320 D HN 0.146 nan 8.370 nan 0.000 0.465 321 D N 0.284 120.750 120.400 0.111 0.000 2.422 321 D HA 0.066 4.706 4.640 -0.000 0.000 0.227 321 D C 0.875 177.278 176.300 0.171 0.000 1.190 321 D CA -0.117 53.976 54.000 0.155 0.000 0.905 321 D CB 0.303 41.214 40.800 0.185 0.000 1.034 321 D HN -0.026 nan 8.370 nan 0.000 0.507 322 R N 2.466 123.082 120.500 0.192 0.000 2.235 322 R HA -0.084 4.255 4.340 -0.000 0.000 0.213 322 R C 1.079 177.550 176.300 0.284 0.000 1.059 322 R CA 0.455 56.678 56.100 0.204 0.000 0.997 322 R CB 0.039 30.458 30.300 0.198 0.000 0.884 322 R HN 0.408 nan 8.270 nan 0.000 0.462 323 F N 0.450 120.504 119.950 0.173 0.000 2.695 323 F HA 0.221 4.747 4.527 -0.000 0.000 0.303 323 F C 1.687 177.574 175.800 0.146 0.000 1.091 323 F CA -0.449 57.671 58.000 0.199 0.000 1.300 323 F CB 0.110 39.285 39.000 0.292 0.000 1.071 323 F HN -0.184 nan 8.300 nan 0.000 0.578 324 I N -0.267 120.320 120.570 0.029 0.000 2.756 324 I HA -0.100 4.070 4.170 -0.000 0.000 0.262 324 I C 2.343 178.228 176.117 -0.386 0.000 1.225 324 I CA 1.244 62.367 61.300 -0.297 0.000 1.472 324 I CB -0.531 37.346 38.000 -0.206 0.000 1.094 324 I HN 0.213 nan 8.210 nan 0.000 0.454 325 G N 0.126 108.807 108.800 -0.197 0.000 2.479 325 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.220 325 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.220 325 G C 1.710 176.468 174.900 -0.236 0.000 1.115 325 G CA 0.908 45.952 45.100 -0.094 0.000 0.757 325 G HN 0.561 nan 8.290 nan 0.000 0.560 326 S N 0.543 115.929 115.700 -0.524 0.000 2.442 326 S HA -0.076 4.394 4.470 -0.000 0.000 0.236 326 S C 1.994 176.285 174.600 -0.515 0.000 1.007 326 S CA 1.379 59.224 58.200 -0.591 0.000 0.965 326 S CB -0.234 62.327 63.200 -1.065 0.000 0.773 326 S HN 0.461 nan 8.310 nan 0.000 0.504 327 K N 0.227 120.166 120.400 -0.769 0.000 2.211 327 K HA -0.100 4.220 4.320 -0.000 0.000 0.204 327 K C 0.457 176.607 176.600 -0.751 0.000 1.047 327 K CA 1.557 57.240 56.287 -1.006 0.000 0.935 327 K CB -0.269 31.244 32.500 -1.644 0.000 0.728 327 K HN 0.692 nan 8.250 nan 0.000 0.452 328 Y N -0.349 119.823 120.300 -0.213 0.000 2.660 328 Y HA 0.237 4.787 4.550 -0.000 0.000 0.254 328 Y C 0.015 175.840 175.900 -0.124 0.000 1.176 328 Y CA -0.780 57.224 58.100 -0.160 0.000 1.195 328 Y CB 0.540 38.888 38.460 -0.187 0.000 1.190 328 Y HN -0.159 nan 8.280 nan 0.000 0.535 329 I N 2.757 123.286 120.570 -0.068 0.000 2.337 329 I HA 0.193 4.363 4.170 -0.000 0.000 0.291 329 I C 0.464 176.534 176.117 -0.078 0.000 1.046 329 I CA -0.732 60.493 61.300 -0.125 0.000 1.324 329 I CB -0.370 37.453 38.000 -0.294 0.000 1.409 329 I HN 0.357 nan 8.210 nan 0.000 0.494 330 C N 3.048 122.367 119.300 0.032 0.000 3.323 330 C HA 0.819 5.279 4.460 -0.000 0.000 0.324 330 C C -0.163 174.997 174.990 0.284 0.000 1.428 330 C CA -0.717 58.372 59.018 0.118 0.000 1.368 330 C CB 1.737 29.526 27.740 0.082 0.000 1.731 330 C HN 0.645 nan 8.230 nan 0.000 0.455 331 S N 2.557 118.405 115.700 0.247 0.000 2.647 331 S HA 0.726 5.196 4.470 -0.000 0.000 0.300 331 S C -2.725 171.814 174.600 -0.102 0.000 1.129 331 S CA -0.330 58.007 58.200 0.229 0.000 1.029 331 S CB 1.704 65.141 63.200 0.394 0.000 1.007 331 S HN 0.801 nan 8.310 nan 0.000 0.484 332 P HA 0.297 nan 4.420 nan 0.000 0.272 332 P C -2.819 174.525 177.300 0.074 0.000 1.240 332 P CA -1.551 61.489 63.100 -0.100 0.000 0.791 332 P CB -0.602 30.942 31.700 -0.259 0.000 0.978 333 P HA 0.192 nan 4.420 nan 0.000 0.272 333 P C 0.242 177.648 177.300 0.175 0.000 1.223 333 P CA -0.070 63.088 63.100 0.098 0.000 0.784 333 P CB 0.419 32.025 31.700 -0.156 0.000 0.923 334 I N 2.594 123.272 120.570 0.181 0.000 2.668 334 I HA -0.029 4.141 4.170 -0.000 0.000 0.285 334 I C 1.568 177.730 176.117 0.074 0.000 1.168 334 I CA 0.383 61.771 61.300 0.147 0.000 1.424 334 I CB 0.089 38.114 38.000 0.041 0.000 1.377 334 I HN 0.131 nan 8.210 nan 0.000 0.560 335 R N 7.122 127.672 120.500 0.083 0.000 2.543 335 R HA 0.437 4.777 4.340 -0.000 0.000 0.268 335 R C -2.319 173.994 176.300 0.022 0.000 1.067 335 R CA -2.128 53.987 56.100 0.024 0.000 1.142 335 R CB -0.093 30.215 30.300 0.015 0.000 1.110 335 R HN 0.231 nan 8.270 nan 0.000 0.549 336 P HA -0.041 nan 4.420 nan 0.000 0.269 336 P C -0.340 176.981 177.300 0.036 0.000 1.217 336 P CA -0.146 62.972 63.100 0.030 0.000 0.783 336 P CB 0.355 32.068 31.700 0.021 0.000 0.898 337 E N 1.195 121.421 120.200 0.043 0.000 2.502 337 E HA 0.193 4.543 4.350 -0.000 0.000 0.261 337 E C 1.216 177.840 176.600 0.040 0.000 0.974 337 E CA 1.585 58.011 56.400 0.043 0.000 0.936 337 E CB -0.758 28.967 29.700 0.041 0.000 0.926 337 E HN 0.717 nan 8.360 nan 0.000 0.459 338 G N 2.877 111.706 108.800 0.048 0.000 2.213 338 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.226 338 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.226 338 G C 1.048 175.979 174.900 0.051 0.000 0.992 338 G CA 0.390 45.518 45.100 0.048 0.000 0.632 338 G HN 0.581 nan 8.290 nan 0.000 0.511 339 T N 0.597 115.180 114.554 0.049 0.000 3.044 339 T HA 0.088 4.437 4.350 -0.000 0.000 0.255 339 T C 2.229 176.967 174.700 0.063 0.000 1.073 339 T CA 1.716 63.843 62.100 0.045 0.000 1.125 339 T CB -0.020 68.864 68.868 0.027 0.000 0.908 339 T HN 0.328 nan 8.240 nan 0.000 0.480 340 Q N 1.389 121.235 119.800 0.077 0.000 2.170 340 Q HA -0.017 4.322 4.340 -0.000 0.000 0.203 340 Q C 2.187 178.273 176.000 0.143 0.000 0.976 340 Q CA 1.053 56.904 55.803 0.081 0.000 0.858 340 Q CB -0.229 28.569 28.738 0.101 0.000 0.907 340 Q HN 0.240 nan 8.270 nan 0.000 0.433 341 K N 0.139 120.656 120.400 0.195 0.000 2.057 341 K HA -0.038 4.282 4.320 -0.000 0.000 0.207 341 K C 2.032 178.769 176.600 0.228 0.000 1.049 341 K CA 1.541 57.987 56.287 0.266 0.000 0.931 341 K CB -0.656 31.952 32.500 0.181 0.000 0.714 341 K HN 0.069 nan 8.250 nan 0.000 0.440 342 S N 0.316 116.105 115.700 0.147 0.000 2.392 342 S HA -0.125 4.345 4.470 -0.000 0.000 0.232 342 S C 1.622 176.330 174.600 0.180 0.000 1.041 342 S CA 1.414 59.693 58.200 0.130 0.000 1.026 342 S CB -0.318 62.936 63.200 0.090 0.000 0.845 342 S HN 0.275 nan 8.310 nan 0.000 0.465 343 I N -0.666 119.992 120.570 0.145 0.000 2.353 343 I HA -0.089 4.080 4.170 -0.000 0.000 0.248 343 I C 1.978 178.185 176.117 0.151 0.000 1.119 343 I CA 0.681 62.062 61.300 0.134 0.000 1.417 343 I CB -1.650 36.280 38.000 -0.116 0.000 1.078 343 I HN 0.437 nan 8.210 nan 0.000 0.421 344 W N 1.800 123.199 121.300 0.165 0.000 2.355 344 W HA -0.168 4.492 4.660 -0.000 0.000 0.309 344 W C 2.717 179.316 176.519 0.133 0.000 1.206 344 W CA 0.839 58.266 57.345 0.136 0.000 1.284 344 W CB -0.303 29.212 29.460 0.093 0.000 1.145 344 W HN 0.028 nan 8.180 nan 0.000 0.502 345 K N -0.189 120.417 120.400 0.343 0.000 2.063 345 K HA -0.144 4.176 4.320 -0.000 0.000 0.208 345 K C 2.302 178.983 176.600 0.135 0.000 1.048 345 K CA 1.422 57.827 56.287 0.197 0.000 0.928 345 K CB -0.853 31.725 32.500 0.131 0.000 0.713 345 K HN 0.257 nan 8.250 nan 0.000 0.442 346 G N 0.888 109.776 108.800 0.147 0.000 2.422 346 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 346 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 346 G C 1.431 176.378 174.900 0.078 0.000 1.146 346 G CA 0.664 45.706 45.100 -0.097 0.000 0.769 346 G HN 0.160 nan 8.290 nan 0.000 0.547 347 M N 0.412 120.259 119.600 0.410 0.000 2.175 347 M HA -0.018 4.462 4.480 -0.000 0.000 0.264 347 M C 2.250 178.678 176.300 0.213 0.000 1.063 347 M CA 0.907 56.425 55.300 0.363 0.000 1.119 347 M CB -0.182 32.627 32.600 0.349 0.000 1.377 347 M HN 0.140 nan 8.290 nan 0.000 0.415 348 N N 0.832 119.644 118.700 0.187 0.000 2.251 348 N HA -0.080 4.660 4.740 -0.000 0.000 0.181 348 N C 1.181 176.727 175.510 0.060 0.000 1.019 348 N CA 1.297 54.418 53.050 0.119 0.000 0.862 348 N CB -0.552 38.006 38.487 0.117 0.000 0.992 348 N HN 0.468 nan 8.380 nan 0.000 0.429 349 N N -0.328 118.391 118.700 0.032 0.000 2.398 349 N HA 0.090 4.830 4.740 -0.000 0.000 0.188 349 N C 0.983 176.474 175.510 -0.032 0.000 1.122 349 N CA 0.866 53.913 53.050 -0.007 0.000 0.866 349 N CB 0.143 38.618 38.487 -0.020 0.000 0.970 349 N HN 0.180 nan 8.380 nan 0.000 0.462 350 G N -1.493 107.289 108.800 -0.030 0.000 2.176 350 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.232 350 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.232 350 G C 1.011 175.857 174.900 -0.090 0.000 0.986 350 G CA 0.480 45.561 45.100 -0.033 0.000 0.643 350 G HN 0.349 nan 8.290 nan 0.000 0.522 351 T N 0.374 114.788 114.554 -0.234 0.000 2.684 351 T HA 0.076 4.426 4.350 -0.000 0.000 0.267 351 T C 0.938 175.388 174.700 -0.417 0.000 1.036 351 T CA 1.306 63.136 62.100 -0.450 0.000 1.148 351 T CB -0.173 68.187 68.868 -0.847 0.000 0.863 351 T HN 0.384 nan 8.240 nan 0.000 0.436 352 F N 1.643 121.623 119.950 0.051 0.000 2.391 352 F HA 0.312 4.839 4.527 -0.000 0.000 0.359 352 F C 1.567 177.396 175.800 0.048 0.000 1.122 352 F CA -1.008 57.026 58.000 0.057 0.000 1.120 352 F CB 1.038 40.066 39.000 0.047 0.000 1.142 352 F HN -0.098 nan 8.300 nan 0.000 0.483 353 T N 3.461 118.143 114.554 0.214 0.000 2.777 353 T HA -0.012 4.338 4.350 -0.000 0.000 0.266 353 T C 0.622 175.363 174.700 0.068 0.000 1.040 353 T CA 1.110 63.262 62.100 0.087 0.000 1.141 353 T CB -0.139 68.738 68.868 0.015 0.000 0.868 353 T HN 0.560 nan 8.240 nan 0.000 0.444 354 I N -2.340 118.298 120.570 0.113 0.000 3.074 354 I HA 0.768 4.937 4.170 -0.000 0.000 0.310 354 I C -1.738 174.444 176.117 0.108 0.000 1.153 354 I CA -1.570 59.786 61.300 0.093 0.000 0.993 354 I CB 2.486 40.535 38.000 0.081 0.000 1.237 354 I HN -0.329 nan 8.210 nan 0.000 0.443 355 V N 2.503 122.471 119.914 0.091 0.000 2.483 355 V HA 0.811 4.930 4.120 -0.000 0.000 0.297 355 V C 0.406 176.557 176.094 0.095 0.000 1.027 355 V CA -0.065 62.274 62.300 0.064 0.000 0.855 355 V CB 1.233 33.080 31.823 0.038 0.000 0.995 355 V HN 1.067 nan 8.190 nan 0.000 0.424 356 G N 2.035 110.902 108.800 0.112 0.000 2.788 356 G HA2 0.558 4.518 3.960 -0.000 0.000 0.293 356 G HA3 0.558 4.518 3.960 -0.000 0.000 0.293 356 G C 0.674 175.639 174.900 0.108 0.000 1.305 356 G CA 0.267 45.457 45.100 0.150 0.000 1.005 356 G HN 0.764 nan 8.290 nan 0.000 0.496 357 S N -1.663 114.116 115.700 0.131 0.000 2.497 357 S HA 0.088 4.557 4.470 -0.000 0.000 0.221 357 S C 0.871 175.527 174.600 0.093 0.000 1.037 357 S CA 1.206 59.476 58.200 0.116 0.000 0.920 357 S CB 0.072 63.368 63.200 0.159 0.000 0.800 357 S HN 0.734 nan 8.310 nan 0.000 0.505 358 D N 1.337 121.772 120.400 0.058 0.000 2.723 358 D HA -0.238 4.402 4.640 -0.000 0.000 0.236 358 D C -0.202 176.241 176.300 0.239 0.000 1.138 358 D CA 0.735 54.747 54.000 0.020 0.000 0.676 358 D CB -2.515 38.245 40.800 -0.068 0.000 1.069 358 D HN 0.855 nan 8.370 nan 0.000 0.430 359 H N 0.146 119.324 119.070 0.180 0.000 3.107 359 H HA 0.302 4.858 4.556 -0.000 0.000 0.301 359 H C -0.512 174.935 175.328 0.198 0.000 0.981 359 H CA 0.996 57.134 56.048 0.151 0.000 1.443 359 H CB 0.230 30.065 29.762 0.122 0.000 1.479 359 H HN 0.266 nan 8.280 nan 0.000 0.564 360 C N 5.605 124.735 119.300 -0.283 0.000 2.887 360 C HA 0.356 4.816 4.460 -0.000 0.000 0.379 360 C C -1.100 173.589 174.990 -0.502 0.000 1.064 360 C CA -0.500 58.362 59.018 -0.259 0.000 1.282 360 C CB -0.336 27.387 27.740 -0.028 0.000 1.749 360 C HN 0.894 nan 8.230 nan 0.000 0.489 361 S N 4.519 119.804 115.700 -0.693 0.000 2.449 361 S HA 0.779 5.249 4.470 -0.000 0.000 0.310 361 S C -1.408 172.768 174.600 -0.706 0.000 1.096 361 S CA -0.295 57.544 58.200 -0.600 0.000 1.095 361 S CB 0.788 63.697 63.200 -0.485 0.000 1.007 361 S HN 0.687 nan 8.310 nan 0.000 0.474 362 Y N 1.017 121.318 120.300 0.003 0.000 2.421 362 Y HA 0.375 4.925 4.550 -0.000 0.000 0.339 362 Y C 0.254 176.262 175.900 0.181 0.000 0.996 362 Y CA -1.266 56.877 58.100 0.070 0.000 1.046 362 Y CB 1.173 39.674 38.460 0.069 0.000 1.226 362 Y HN 0.475 nan 8.280 nan 0.000 0.445 363 N N 1.349 120.223 118.700 0.290 0.000 2.441 363 N HA -0.070 4.670 4.740 -0.000 0.000 0.251 363 N C -0.011 175.686 175.510 0.310 0.000 1.242 363 N CA 0.299 53.524 53.050 0.293 0.000 0.898 363 N CB 0.662 39.263 38.487 0.189 0.000 1.100 363 N HN 0.819 nan 8.380 nan 0.000 0.443 364 Y N 0.773 121.151 120.300 0.130 0.000 2.581 364 Y HA 0.176 4.726 4.550 -0.000 0.000 0.271 364 Y C 0.820 176.653 175.900 -0.113 0.000 1.100 364 Y CA 0.519 58.559 58.100 -0.100 0.000 1.281 364 Y CB 0.190 38.269 38.460 -0.635 0.000 1.237 364 Y HN 0.561 nan 8.280 nan 0.000 0.514 365 Y N 1.110 121.501 120.300 0.153 0.000 2.466 365 Y HA 0.174 4.724 4.550 -0.000 0.000 0.272 365 Y C -0.125 175.743 175.900 -0.054 0.000 1.169 365 Y CA -0.212 57.913 58.100 0.042 0.000 1.285 365 Y CB 0.143 38.677 38.460 0.123 0.000 1.078 365 Y HN 0.121 nan 8.280 nan 0.000 0.523 366 E N -1.046 119.179 120.200 0.041 0.000 2.238 366 E HA 0.418 4.768 4.350 -0.000 0.000 0.267 366 E C -0.405 176.113 176.600 -0.137 0.000 0.887 366 E CA -0.862 55.510 56.400 -0.047 0.000 0.769 366 E CB 1.713 31.421 29.700 0.014 0.000 1.187 366 E HN -0.012 nan 8.360 nan 0.000 0.416 367 K N 0.801 121.062 120.400 -0.231 0.000 2.412 367 K HA 0.049 4.369 4.320 -0.000 0.000 0.202 367 K C 1.215 177.741 176.600 -0.123 0.000 1.102 367 K CA 0.832 56.925 56.287 -0.324 0.000 1.027 367 K CB 0.748 32.891 32.500 -0.596 0.000 0.931 367 K HN 0.739 nan 8.250 nan 0.000 0.557 368 T N -1.073 113.431 114.554 -0.084 0.000 3.009 368 T HA -0.017 4.333 4.350 -0.000 0.000 0.258 368 T C 1.318 176.010 174.700 -0.013 0.000 1.063 368 T CA 0.243 62.314 62.100 -0.049 0.000 1.139 368 T CB -0.065 68.775 68.868 -0.047 0.000 0.890 368 T HN 0.072 nan 8.240 nan 0.000 0.471 369 S N 1.822 117.525 115.700 0.006 0.000 2.614 369 S HA 0.238 4.708 4.470 -0.000 0.000 0.265 369 S C 1.497 176.121 174.600 0.040 0.000 1.303 369 S CA 0.100 58.315 58.200 0.025 0.000 1.000 369 S CB 0.903 64.125 63.200 0.036 0.000 0.935 369 S HN 0.536 nan 8.310 nan 0.000 0.551 370 T N -1.978 112.601 114.554 0.041 0.000 3.113 370 T HA 0.181 4.530 4.350 -0.000 0.000 0.263 370 T C 1.104 175.853 174.700 0.083 0.000 1.143 370 T CA 0.506 62.633 62.100 0.045 0.000 1.090 370 T CB -0.432 68.458 68.868 0.037 0.000 0.922 370 T HN 0.926 nan 8.240 nan 0.000 0.521 371 A N 0.668 123.557 122.820 0.114 0.000 2.535 371 A HA 0.592 4.912 4.320 -0.000 0.000 0.273 371 A C 0.965 178.695 177.584 0.243 0.000 1.267 371 A CA -0.431 51.729 52.037 0.204 0.000 0.940 371 A CB 0.029 19.123 19.000 0.157 0.000 1.101 371 A HN 0.420 nan 8.150 nan 0.000 0.521 372 S N -0.176 115.623 115.700 0.165 0.000 2.585 372 S HA 0.295 4.765 4.470 -0.000 0.000 0.277 372 S C 1.103 175.799 174.600 0.159 0.000 1.241 372 S CA -0.597 57.714 58.200 0.186 0.000 1.041 372 S CB 0.673 63.964 63.200 0.152 0.000 0.987 372 S HN 0.318 nan 8.310 nan 0.000 0.512 373 K N 2.383 122.898 120.400 0.191 0.000 2.152 373 K HA -0.108 4.212 4.320 -0.000 0.000 0.206 373 K C 1.316 178.028 176.600 0.186 0.000 1.048 373 K CA 1.435 57.792 56.287 0.117 0.000 0.933 373 K CB -0.456 32.105 32.500 0.102 0.000 0.721 373 K HN 0.721 nan 8.250 nan 0.000 0.447 374 H N 0.055 119.234 119.070 0.183 0.000 2.563 374 H HA 0.027 4.583 4.556 -0.000 0.000 0.272 374 H C 1.927 177.300 175.328 0.075 0.000 1.005 374 H CA 0.164 56.273 56.048 0.102 0.000 1.171 374 H CB 0.082 29.793 29.762 -0.084 0.000 1.351 374 H HN 0.180 nan 8.280 nan 0.000 0.602 375 R N 1.462 122.035 120.500 0.122 0.000 2.226 375 R HA -0.148 4.191 4.340 -0.000 0.000 0.246 375 R C 1.998 178.281 176.300 -0.029 0.000 1.161 375 R CA 1.006 57.122 56.100 0.027 0.000 0.997 375 R CB -0.057 30.232 30.300 -0.019 0.000 0.870 375 R HN 0.270 nan 8.270 nan 0.000 0.465 376 A N -0.003 122.793 122.820 -0.040 0.000 2.168 376 A HA -0.013 4.307 4.320 -0.000 0.000 0.215 376 A C 0.267 177.605 177.584 -0.410 0.000 1.152 376 A CA 0.389 52.324 52.037 -0.170 0.000 0.716 376 A CB -0.044 18.889 19.000 -0.111 0.000 0.794 376 A HN 0.220 nan 8.150 nan 0.000 0.465 377 F N 0.386 120.224 119.950 -0.187 0.000 2.313 377 F HA 0.438 4.965 4.527 -0.001 0.000 0.369 377 F C 0.010 175.714 175.800 -0.159 0.000 1.109 377 F CA -0.703 57.183 58.000 -0.189 0.000 1.132 377 F CB 0.997 39.863 39.000 -0.224 0.000 1.291 377 F HN 0.002 nan 8.300 nan 0.000 0.496 378 D N 5.154 125.520 120.400 -0.057 0.000 2.668 378 D HA 0.248 4.888 4.640 -0.000 0.000 0.247 378 D C -2.105 174.133 176.300 -0.103 0.000 1.268 378 D CA -1.979 51.971 54.000 -0.084 0.000 0.842 378 D CB 1.234 41.954 40.800 -0.134 0.000 1.399 378 D HN 0.054 nan 8.370 nan 0.000 0.530 379 P HA -0.153 nan 4.420 nan 0.000 0.217 379 P C 0.815 178.073 177.300 -0.070 0.000 1.148 379 P CA 1.182 64.250 63.100 -0.054 0.000 0.834 379 P CB 0.527 32.211 31.700 -0.027 0.000 0.783 380 E N -1.158 119.000 120.200 -0.071 0.000 2.152 380 E HA -0.077 4.273 4.350 -0.000 0.000 0.192 380 E C 0.929 177.478 176.600 -0.086 0.000 0.983 380 E CA 0.794 57.154 56.400 -0.067 0.000 0.818 380 E CB -0.659 29.007 29.700 -0.057 0.000 0.758 380 E HN 0.231 nan 8.360 nan 0.000 0.467 381 N N 1.329 119.956 118.700 -0.121 0.000 2.346 381 N HA 0.048 4.788 4.740 -0.000 0.000 0.225 381 N C -0.862 174.524 175.510 -0.205 0.000 1.144 381 N CA -0.005 52.953 53.050 -0.154 0.000 0.837 381 N CB 0.047 38.425 38.487 -0.182 0.000 1.069 381 N HN 0.025 nan 8.380 nan 0.000 0.487 382 N N 0.469 119.073 118.700 -0.160 0.000 2.725 382 N HA -0.219 4.521 4.740 -0.000 0.000 0.251 382 N C -0.924 174.431 175.510 -0.259 0.000 1.031 382 N CA 0.938 53.898 53.050 -0.150 0.000 0.720 382 N CB -1.039 37.391 38.487 -0.095 0.000 0.930 382 N HN 0.460 nan 8.380 nan 0.000 0.543 383 K N 0.651 120.854 120.400 -0.328 0.000 2.450 383 K HA 0.329 4.649 4.320 -0.000 0.000 0.257 383 K C 0.051 176.502 176.600 -0.248 0.000 0.953 383 K CA -0.469 55.527 56.287 -0.486 0.000 0.844 383 K CB 1.304 33.386 32.500 -0.697 0.000 1.103 383 K HN 0.092 nan 8.250 nan 0.000 0.429 384 N N 2.019 120.609 118.700 -0.183 0.000 2.517 384 N HA 0.093 4.833 4.740 -0.000 0.000 0.285 384 N C 0.283 175.564 175.510 -0.383 0.000 1.528 384 N CA 0.143 53.106 53.050 -0.146 0.000 0.892 384 N CB 1.615 40.090 38.487 -0.019 0.000 1.356 384 N HN 0.987 nan 8.380 nan 0.000 0.495 385 G N 1.142 109.455 108.800 -0.812 0.000 2.175 385 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.244 385 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.244 385 G C -0.055 174.689 174.900 -0.260 0.000 0.982 385 G CA -0.202 44.218 45.100 -1.135 0.000 0.641 385 G HN 0.347 nan 8.290 nan 0.000 0.527 386 E N 0.009 120.148 120.200 -0.101 0.000 2.442 386 E HA 0.387 4.737 4.350 -0.000 0.000 0.262 386 E C 1.384 177.915 176.600 -0.114 0.000 1.004 386 E CA 0.083 56.434 56.400 -0.082 0.000 0.928 386 E CB 0.007 29.595 29.700 -0.187 0.000 0.937 386 E HN 0.547 nan 8.360 nan 0.000 0.446 387 F N 2.145 122.087 119.950 -0.013 0.000 2.202 387 F HA -0.191 4.335 4.527 -0.000 0.000 0.301 387 F C 1.992 177.727 175.800 -0.108 0.000 1.082 387 F CA 1.188 59.173 58.000 -0.026 0.000 1.313 387 F CB -0.237 38.788 39.000 0.043 0.000 1.024 387 F HN 0.370 nan 8.300 nan 0.000 0.495 388 R N 0.073 120.105 120.500 -0.781 0.000 2.139 388 R HA -0.219 4.121 4.340 -0.000 0.000 0.243 388 R C 1.403 177.391 176.300 -0.519 0.000 1.145 388 R CA 2.092 57.774 56.100 -0.696 0.000 0.976 388 R CB -0.706 28.969 30.300 -1.041 0.000 0.866 388 R HN 0.537 nan 8.270 nan 0.000 0.449 389 Y N -0.174 120.027 120.300 -0.165 0.000 2.457 389 Y HA 0.245 4.795 4.550 -0.001 0.000 0.263 389 Y C 0.457 176.285 175.900 -0.119 0.000 1.164 389 Y CA -0.707 57.307 58.100 -0.145 0.000 1.274 389 Y CB 0.481 38.833 38.460 -0.181 0.000 1.097 389 Y HN -0.084 nan 8.280 nan 0.000 0.523 390 I N 4.683 125.261 120.570 0.014 0.000 2.452 390 I HA 0.084 4.254 4.170 -0.000 0.000 0.287 390 I C -2.098 173.943 176.117 -0.127 0.000 1.079 390 I CA -2.088 59.200 61.300 -0.020 0.000 1.387 390 I CB 0.594 38.567 38.000 -0.046 0.000 1.404 390 I HN -0.146 nan 8.210 nan 0.000 0.522 391 P HA 0.016 nan 4.420 nan 0.000 0.266 391 P C -0.920 176.213 177.300 -0.279 0.000 1.215 391 P CA 0.137 62.960 63.100 -0.463 0.000 0.763 391 P CB 0.227 31.246 31.700 -1.136 0.000 0.806 392 N N 1.832 120.468 118.700 -0.107 0.000 2.488 392 N HA 0.482 5.221 4.740 -0.000 0.000 0.274 392 N C 0.397 176.017 175.510 0.184 0.000 1.111 392 N CA 0.017 53.081 53.050 0.024 0.000 0.974 392 N CB 0.739 39.283 38.487 0.094 0.000 1.089 392 N HN 0.608 nan 8.380 nan 0.000 0.465 393 G N 1.169 110.059 108.800 0.151 0.000 2.329 393 G HA2 0.152 4.111 3.960 -0.000 0.000 0.308 393 G HA3 0.152 4.111 3.960 -0.000 0.000 0.308 393 G C -1.686 173.260 174.900 0.077 0.000 1.587 393 G CA -0.920 44.263 45.100 0.139 0.000 0.978 393 G HN 0.355 nan 8.290 nan 0.000 0.685 394 L N 0.668 121.891 121.223 -0.001 0.000 2.362 394 L HA 0.590 4.930 4.340 -0.000 0.000 0.271 394 L C -2.431 174.348 176.870 -0.153 0.000 1.002 394 L CA -2.378 52.424 54.840 -0.063 0.000 0.818 394 L CB 2.699 44.724 42.059 -0.057 0.000 1.298 394 L HN 0.271 nan 8.230 nan 0.000 0.420 395 P HA 0.182 nan 4.420 nan 0.000 0.271 395 P C 0.327 177.703 177.300 0.126 0.000 1.216 395 P CA 0.130 63.119 63.100 -0.185 0.000 0.771 395 P CB 1.088 32.700 31.700 -0.147 0.000 0.864 396 G N 1.086 110.117 108.800 0.385 0.000 3.258 396 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.175 396 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.175 396 G C 0.979 176.031 174.900 0.255 0.000 1.261 396 G CA 0.121 45.418 45.100 0.328 0.000 0.881 396 G HN 0.427 nan 8.290 nan 0.000 0.851 397 V N 0.784 120.858 119.914 0.267 0.000 2.469 397 V HA -0.187 3.933 4.120 -0.000 0.000 0.251 397 V C 2.592 178.661 176.094 -0.043 0.000 1.064 397 V CA 2.656 64.939 62.300 -0.027 0.000 1.066 397 V CB -0.244 31.349 31.823 -0.382 0.000 0.667 397 V HN 0.524 nan 8.190 nan 0.000 0.461 398 C N 0.498 119.796 119.300 -0.003 0.000 2.466 398 C HA -0.082 4.378 4.460 -0.000 0.000 0.278 398 C C 2.996 177.960 174.990 -0.043 0.000 1.288 398 C CA 1.698 60.697 59.018 -0.032 0.000 1.722 398 C CB -1.197 26.559 27.740 0.026 0.000 2.017 398 C HN 0.775 nan 8.230 nan 0.000 0.488 399 T N -1.322 113.264 114.554 0.054 0.000 3.088 399 T HA -0.033 4.317 4.350 -0.000 0.000 0.259 399 T C 1.896 176.558 174.700 -0.064 0.000 1.122 399 T CA 0.748 62.862 62.100 0.024 0.000 1.095 399 T CB -0.534 68.377 68.868 0.071 0.000 0.930 399 T HN 0.668 nan 8.240 nan 0.000 0.508 400 R N 0.681 121.163 120.500 -0.031 0.000 2.080 400 R HA -0.078 4.261 4.340 -0.000 0.000 0.236 400 R C 2.343 178.653 176.300 0.015 0.000 1.137 400 R CA 1.662 57.755 56.100 -0.010 0.000 0.943 400 R CB -0.309 30.004 30.300 0.022 0.000 0.846 400 R HN 0.304 nan 8.270 nan 0.000 0.431 401 M N -0.243 119.364 119.600 0.013 0.000 2.077 401 M HA -0.055 4.425 4.480 -0.000 0.000 0.261 401 M C -0.632 175.804 176.300 0.227 0.000 1.070 401 M CA 1.533 56.913 55.300 0.133 0.000 1.125 401 M CB -1.447 31.248 32.600 0.158 0.000 1.339 401 M HN 0.075 nan 8.290 nan 0.000 0.409 402 P HA -0.082 nan 4.420 nan 0.000 0.217 402 P C 1.837 179.263 177.300 0.210 0.000 1.150 402 P CA 1.086 64.282 63.100 0.160 0.000 0.832 402 P CB -0.192 31.386 31.700 -0.202 0.000 0.787 403 L N -1.392 119.913 121.223 0.136 0.000 2.079 403 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 403 L C 2.412 179.455 176.870 0.289 0.000 1.081 403 L CA 1.326 56.276 54.840 0.183 0.000 0.752 403 L CB -0.755 41.262 42.059 -0.069 0.000 0.896 403 L HN 0.006 nan 8.230 nan 0.000 0.433 404 L N -2.005 119.355 121.223 0.228 0.000 2.131 404 L HA -0.223 4.117 4.340 -0.000 0.000 0.206 404 L C 2.518 179.511 176.870 0.204 0.000 1.087 404 L CA 1.221 56.221 54.840 0.267 0.000 0.767 404 L CB -0.572 41.609 42.059 0.203 0.000 0.917 404 L HN 0.257 nan 8.230 nan 0.000 0.441 405 Y N 1.222 121.528 120.300 0.010 0.000 2.097 405 Y HA -0.359 4.191 4.550 -0.000 0.000 0.282 405 Y C 2.534 178.434 175.900 -0.000 0.000 1.152 405 Y CA 2.250 60.283 58.100 -0.112 0.000 1.136 405 Y CB 0.051 38.225 38.460 -0.476 0.000 0.975 405 Y HN 0.241 nan 8.280 nan 0.000 0.498 406 D N -1.001 119.573 120.400 0.290 0.000 2.092 406 D HA -0.211 4.429 4.640 -0.000 0.000 0.203 406 D C 1.859 178.121 176.300 -0.064 0.000 0.978 406 D CA 1.860 55.917 54.000 0.094 0.000 0.861 406 D CB -0.801 40.018 40.800 0.031 0.000 1.005 406 D HN 0.380 nan 8.370 nan 0.000 0.450 407 Y N 0.241 120.585 120.300 0.074 0.000 2.509 407 Y HA 0.134 4.684 4.550 -0.000 0.000 0.293 407 Y C 2.237 178.029 175.900 -0.179 0.000 1.133 407 Y CA 0.915 59.024 58.100 0.015 0.000 1.283 407 Y CB -0.267 38.289 38.460 0.160 0.000 1.001 407 Y HN 0.101 nan 8.280 nan 0.000 0.555 408 G N -1.133 107.704 108.800 0.062 0.000 2.610 408 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.215 408 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.215 408 G C 1.355 176.165 174.900 -0.150 0.000 1.243 408 G CA 0.581 45.608 45.100 -0.121 0.000 0.847 408 G HN 0.357 nan 8.290 nan 0.000 0.560 409 Y N 1.228 121.398 120.300 -0.216 0.000 2.130 409 Y HA 0.117 4.667 4.550 -0.000 0.000 0.287 409 Y C 2.552 178.301 175.900 -0.253 0.000 1.124 409 Y CA 1.358 59.282 58.100 -0.292 0.000 1.118 409 Y CB -0.569 37.597 38.460 -0.490 0.000 0.994 409 Y HN 0.064 nan 8.280 nan 0.000 0.497 410 L N 0.022 120.856 121.223 -0.650 0.000 2.046 410 L HA -0.167 4.172 4.340 -0.000 0.000 0.208 410 L C 2.454 179.070 176.870 -0.424 0.000 1.077 410 L CA 1.576 56.031 54.840 -0.642 0.000 0.747 410 L CB -0.396 41.492 42.059 -0.286 0.000 0.896 410 L HN 0.140 nan 8.230 nan 0.000 0.432 411 R N -0.480 119.823 120.500 -0.328 0.000 2.297 411 R HA 0.089 4.429 4.340 -0.000 0.000 0.197 411 R C 1.160 177.297 176.300 -0.271 0.000 0.943 411 R CA 0.585 56.524 56.100 -0.269 0.000 1.038 411 R CB 0.255 30.413 30.300 -0.238 0.000 0.957 411 R HN 0.458 nan 8.270 nan 0.000 0.484 412 G N 0.815 109.430 108.800 -0.309 0.000 2.132 412 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.234 412 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.234 412 G C 0.481 175.204 174.900 -0.295 0.000 0.989 412 G CA 0.200 45.143 45.100 -0.261 0.000 0.676 412 G HN 0.304 nan 8.290 nan 0.000 0.522 413 N N -0.472 117.938 118.700 -0.482 0.000 2.376 413 N HA 0.101 4.841 4.740 -0.000 0.000 0.177 413 N C 1.151 176.404 175.510 -0.428 0.000 1.024 413 N CA 0.565 53.169 53.050 -0.743 0.000 0.893 413 N CB 0.241 37.625 38.487 -1.839 0.000 0.980 413 N HN 0.486 nan 8.380 nan 0.000 0.439 414 L N 0.770 121.841 121.223 -0.254 0.000 2.343 414 L HA 0.166 4.505 4.340 -0.000 0.000 0.275 414 L C 1.846 178.708 176.870 -0.012 0.000 1.056 414 L CA -0.333 54.506 54.840 -0.001 0.000 0.804 414 L CB 1.654 43.765 42.059 0.087 0.000 1.203 414 L HN 0.071 nan 8.230 nan 0.000 0.440 415 T N -2.574 111.993 114.554 0.022 0.000 2.904 415 T HA -0.004 4.346 4.350 -0.000 0.000 0.267 415 T C 0.636 175.348 174.700 0.020 0.000 1.059 415 T CA 0.710 62.816 62.100 0.010 0.000 1.137 415 T CB -0.031 68.845 68.868 0.014 0.000 0.879 415 T HN 0.663 nan 8.240 nan 0.000 0.467 416 S N -1.256 114.452 115.700 0.013 0.000 2.611 416 S HA 0.517 4.987 4.470 -0.000 0.000 0.268 416 S C 0.472 174.971 174.600 -0.169 0.000 1.156 416 S CA -0.972 57.209 58.200 -0.031 0.000 0.817 416 S CB 1.038 64.203 63.200 -0.059 0.000 1.122 416 S HN -0.117 nan 8.310 nan 0.000 0.466 417 M N 0.632 119.965 119.600 -0.446 0.000 2.213 417 M HA 0.018 4.497 4.480 -0.000 0.000 0.263 417 M C 1.950 178.026 176.300 -0.374 0.000 1.062 417 M CA 1.677 56.575 55.300 -0.669 0.000 1.105 417 M CB -1.505 30.404 32.600 -1.152 0.000 1.385 417 M HN 0.790 nan 8.290 nan 0.000 0.417 418 M N -0.496 118.952 119.600 -0.253 0.000 2.117 418 M HA -0.231 4.249 4.480 -0.000 0.000 0.262 418 M C 2.107 178.354 176.300 -0.088 0.000 1.065 418 M CA 1.616 56.831 55.300 -0.141 0.000 1.114 418 M CB -0.453 32.092 32.600 -0.091 0.000 1.361 418 M HN 0.002 nan 8.290 nan 0.000 0.408 419 K N 1.109 121.467 120.400 -0.070 0.000 2.057 419 K HA -0.107 4.213 4.320 -0.000 0.000 0.207 419 K C 1.665 178.260 176.600 -0.009 0.000 1.049 419 K CA 1.293 57.569 56.287 -0.019 0.000 0.931 419 K CB -0.679 31.828 32.500 0.010 0.000 0.714 419 K HN 0.325 nan 8.250 nan 0.000 0.440 420 L N -0.096 121.098 121.223 -0.049 0.000 1.989 420 L HA -0.193 4.146 4.340 -0.000 0.000 0.211 420 L C 1.945 178.801 176.870 -0.023 0.000 1.071 420 L CA 1.532 56.351 54.840 -0.036 0.000 0.749 420 L CB -0.327 41.659 42.059 -0.123 0.000 0.890 420 L HN 0.049 nan 8.230 nan 0.000 0.431 421 V N 0.040 119.918 119.914 -0.059 0.000 2.343 421 V HA -0.315 3.805 4.120 -0.000 0.000 0.247 421 V C 2.497 178.593 176.094 0.004 0.000 1.051 421 V CA 2.136 64.424 62.300 -0.020 0.000 1.036 421 V CB -0.676 31.124 31.823 -0.038 0.000 0.654 421 V HN 0.594 nan 8.190 nan 0.000 0.451 422 E N 0.536 120.732 120.200 -0.007 0.000 2.049 422 E HA -0.264 4.086 4.350 -0.000 0.000 0.198 422 E C 2.114 178.720 176.600 0.010 0.000 1.007 422 E CA 2.434 58.833 56.400 -0.002 0.000 0.809 422 E CB -0.185 29.512 29.700 -0.007 0.000 0.749 422 E HN 0.785 nan 8.360 nan 0.000 0.450 423 I N -2.188 118.400 120.570 0.030 0.000 3.030 423 I HA -0.055 4.115 4.170 -0.000 0.000 0.270 423 I C 1.835 177.987 176.117 0.058 0.000 1.211 423 I CA 0.472 61.803 61.300 0.051 0.000 1.479 423 I CB -0.055 37.995 38.000 0.083 0.000 1.105 423 I HN 0.005 nan 8.210 nan 0.000 0.447 424 Q N 0.546 120.380 119.800 0.057 0.000 2.373 424 Q HA 0.098 4.438 4.340 -0.000 0.000 0.210 424 Q C 1.800 177.840 176.000 0.066 0.000 0.913 424 Q CA 1.139 56.982 55.803 0.068 0.000 0.911 424 Q CB 0.842 29.626 28.738 0.076 0.000 1.040 424 Q HN 0.669 nan 8.270 nan 0.000 0.521 425 C N -1.475 117.859 119.300 0.057 0.000 2.726 425 C HA 0.155 4.615 4.460 -0.000 0.000 0.380 425 C C 2.570 177.597 174.990 0.061 0.000 1.691 425 C CA 0.239 59.294 59.018 0.061 0.000 2.388 425 C CB -0.225 27.552 27.740 0.063 0.000 2.227 425 C HN 0.340 nan 8.230 nan 0.000 0.647 426 T N 2.167 116.749 114.554 0.046 0.000 2.770 426 T HA -0.087 4.262 4.350 -0.000 0.000 0.258 426 T C 1.569 176.255 174.700 -0.023 0.000 1.039 426 T CA 1.540 63.664 62.100 0.040 0.000 1.143 426 T CB -0.436 68.446 68.868 0.024 0.000 0.866 426 T HN 0.340 nan 8.240 nan 0.000 0.428 427 N N 1.584 120.253 118.700 -0.052 0.000 2.104 427 N HA -0.053 4.687 4.740 -0.000 0.000 0.190 427 N C -1.024 174.416 175.510 -0.117 0.000 1.024 427 N CA 1.211 54.191 53.050 -0.117 0.000 0.853 427 N CB -1.491 36.930 38.487 -0.110 0.000 1.008 427 N HN 0.317 nan 8.380 nan 0.000 0.424 428 P HA -0.102 nan 4.420 nan 0.000 0.216 428 P C 1.076 178.426 177.300 0.084 0.000 1.153 428 P CA 1.732 64.869 63.100 0.061 0.000 0.858 428 P CB -0.083 31.693 31.700 0.127 0.000 0.789 429 A N -0.280 122.586 122.820 0.078 0.000 1.902 429 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 429 A C 2.119 179.763 177.584 0.100 0.000 1.181 429 A CA 1.850 53.963 52.037 0.126 0.000 0.623 429 A CB -1.039 18.082 19.000 0.201 0.000 0.818 429 A HN 0.140 nan 8.150 nan 0.000 0.443 430 K N -0.901 119.485 120.400 -0.023 0.000 2.025 430 K HA -0.022 4.297 4.320 -0.000 0.000 0.207 430 K C 1.808 178.217 176.600 -0.317 0.000 1.049 430 K CA 1.264 57.467 56.287 -0.139 0.000 0.933 430 K CB -0.376 31.939 32.500 -0.308 0.000 0.714 430 K HN 0.239 nan 8.250 nan 0.000 0.438 431 V N 0.384 120.047 119.914 -0.418 0.000 2.809 431 V HA -0.157 3.962 4.120 -0.000 0.000 0.256 431 V C 0.562 176.313 176.094 -0.572 0.000 1.080 431 V CA 1.371 63.297 62.300 -0.624 0.000 1.102 431 V CB -0.166 31.181 31.823 -0.793 0.000 0.705 431 V HN 0.289 nan 8.190 nan 0.000 0.475 432 Y N -0.392 119.852 120.300 -0.094 0.000 2.681 432 Y HA 0.471 5.020 4.550 -0.000 0.000 0.267 432 Y C 1.522 177.392 175.900 -0.051 0.000 1.166 432 Y CA 0.156 58.225 58.100 -0.053 0.000 1.209 432 Y CB 0.518 38.974 38.460 -0.006 0.000 1.161 432 Y HN 0.247 nan 8.280 nan 0.000 0.534 433 G N 1.133 109.972 108.800 0.066 0.000 2.221 433 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.265 433 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.265 433 G C 0.411 175.361 174.900 0.083 0.000 1.041 433 G CA 0.602 45.750 45.100 0.080 0.000 0.807 433 G HN 0.512 nan 8.290 nan 0.000 0.502 434 M N -1.225 118.437 119.600 0.102 0.000 2.346 434 M HA 0.324 4.804 4.480 -0.000 0.000 0.280 434 M C 0.463 176.824 176.300 0.102 0.000 1.075 434 M CA -0.291 55.046 55.300 0.062 0.000 0.989 434 M CB 0.642 33.261 32.600 0.032 0.000 1.447 434 M HN 0.306 nan 8.290 nan 0.000 0.511 435 Y N 2.482 122.806 120.300 0.041 0.000 2.323 435 Y HA 0.353 4.903 4.550 -0.000 0.000 0.331 435 Y C -1.663 174.261 175.900 0.040 0.000 1.092 435 Y CA -1.764 56.368 58.100 0.054 0.000 1.150 435 Y CB 1.063 39.593 38.460 0.116 0.000 1.200 435 Y HN 0.003 nan 8.280 nan 0.000 0.472 436 P HA -0.000 nan 4.420 nan 0.000 0.261 436 P C 0.830 177.870 177.300 -0.433 0.000 1.268 436 P CA 0.413 62.859 63.100 -1.090 0.000 0.833 436 P CB 0.363 31.489 31.700 -0.956 0.000 1.231 437 Q N 0.601 120.263 119.800 -0.230 0.000 2.133 437 Q HA -0.157 4.183 4.340 -0.000 0.000 0.208 437 Q C 0.035 175.978 176.000 -0.094 0.000 0.991 437 Q CA 1.455 57.178 55.803 -0.133 0.000 0.867 437 Q CB 0.082 28.763 28.738 -0.095 0.000 0.911 437 Q HN 0.143 nan 8.270 nan 0.000 0.417 438 K N -2.835 117.531 120.400 -0.058 0.000 2.340 438 K HA 0.492 4.811 4.320 -0.000 0.000 0.244 438 K C -0.099 176.547 176.600 0.076 0.000 0.973 438 K CA 0.293 56.581 56.287 0.001 0.000 0.828 438 K CB 1.979 34.485 32.500 0.010 0.000 1.226 438 K HN 0.119 nan 8.250 nan 0.000 0.437 439 G N -0.175 108.675 108.800 0.084 0.000 2.259 439 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.217 439 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.217 439 G C 0.076 175.056 174.900 0.133 0.000 1.001 439 G CA 0.302 45.483 45.100 0.136 0.000 0.627 439 G HN 0.540 nan 8.290 nan 0.000 0.501 440 S N -1.057 114.711 115.700 0.112 0.000 2.911 440 S HA 0.793 5.263 4.470 -0.000 0.000 0.319 440 S C -0.558 174.068 174.600 0.044 0.000 1.154 440 S CA -0.495 57.764 58.200 0.099 0.000 0.857 440 S CB 1.460 64.758 63.200 0.164 0.000 1.279 440 S HN 0.556 nan 8.310 nan 0.000 0.593 441 I N 1.958 122.553 120.570 0.041 0.000 2.750 441 I HA 0.343 4.512 4.170 -0.000 0.000 0.279 441 I C -1.550 174.575 176.117 0.014 0.000 1.206 441 I CA 0.004 61.314 61.300 0.017 0.000 1.101 441 I CB 0.146 38.157 38.000 0.018 0.000 1.431 441 I HN 0.154 nan 8.210 nan 0.000 0.551 442 L N 5.458 126.674 121.223 -0.011 0.000 2.295 442 L HA 0.512 4.852 4.340 -0.000 0.000 0.281 442 L C -2.476 174.373 176.870 -0.035 0.000 1.018 442 L CA -1.935 52.892 54.840 -0.021 0.000 0.841 442 L CB 1.144 43.174 42.059 -0.048 0.000 1.218 442 L HN 0.095 nan 8.230 nan 0.000 0.424 443 P HA 0.028 nan 4.420 nan 0.000 0.262 443 P C 0.994 178.272 177.300 -0.035 0.000 1.182 443 P CA 0.828 63.907 63.100 -0.035 0.000 0.761 443 P CB 0.878 32.562 31.700 -0.027 0.000 0.795 444 G N 1.534 110.313 108.800 -0.036 0.000 2.234 444 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.260 444 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.260 444 G C 0.718 175.591 174.900 -0.044 0.000 0.987 444 G CA 0.427 45.508 45.100 -0.031 0.000 0.625 444 G HN 0.432 nan 8.290 nan 0.000 0.532 445 V N 0.079 119.958 119.914 -0.058 0.000 2.996 445 V HA 0.291 4.411 4.120 -0.000 0.000 0.235 445 V C 1.585 177.625 176.094 -0.090 0.000 1.205 445 V CA 1.280 63.531 62.300 -0.082 0.000 1.225 445 V CB 0.437 32.195 31.823 -0.108 0.000 0.995 445 V HN 0.311 nan 8.190 nan 0.000 0.484 446 S N 1.574 117.225 115.700 -0.082 0.000 2.531 446 S HA 0.182 4.652 4.470 -0.000 0.000 0.279 446 S C -0.370 174.196 174.600 -0.057 0.000 1.305 446 S CA -0.319 57.836 58.200 -0.075 0.000 1.058 446 S CB 0.341 63.508 63.200 -0.054 0.000 0.899 446 S HN 0.380 nan 8.310 nan 0.000 0.493 447 D N 2.281 122.648 120.400 -0.054 0.000 2.488 447 D HA 0.131 4.771 4.640 -0.000 0.000 0.238 447 D C 0.258 176.539 176.300 -0.033 0.000 1.138 447 D CA 0.219 54.194 54.000 -0.041 0.000 0.873 447 D CB 0.474 41.250 40.800 -0.040 0.000 1.183 447 D HN 0.598 nan 8.370 nan 0.000 0.458 448 A N 3.182 125.984 122.820 -0.029 0.000 3.030 448 A HA 0.077 4.397 4.320 -0.000 0.000 0.273 448 A C -0.379 177.193 177.584 -0.020 0.000 1.841 448 A CA -0.251 51.769 52.037 -0.028 0.000 1.479 448 A CB -0.288 18.694 19.000 -0.031 0.000 1.048 448 A HN 0.234 nan 8.150 nan 0.000 0.612 449 D N 1.540 121.930 120.400 -0.017 0.000 2.454 449 D HA 0.590 5.230 4.640 -0.000 0.000 0.225 449 D C -0.422 175.872 176.300 -0.010 0.000 1.081 449 D CA 0.374 54.368 54.000 -0.011 0.000 0.864 449 D CB 1.000 41.795 40.800 -0.008 0.000 1.040 449 D HN 0.395 nan 8.370 nan 0.000 0.517 450 L N 0.993 122.207 121.223 -0.016 0.000 2.424 450 L HA 0.614 4.953 4.340 -0.000 0.000 0.258 450 L C -0.754 176.092 176.870 -0.041 0.000 0.995 450 L CA -1.183 53.647 54.840 -0.018 0.000 0.821 450 L CB 2.530 44.574 42.059 -0.025 0.000 1.383 450 L HN -0.086 nan 8.230 nan 0.000 0.410 451 V N 2.775 122.658 119.914 -0.051 0.000 2.540 451 V HA 0.500 4.620 4.120 -0.000 0.000 0.302 451 V C -0.328 175.691 176.094 -0.125 0.000 1.035 451 V CA -0.354 61.843 62.300 -0.171 0.000 0.873 451 V CB 2.213 33.828 31.823 -0.346 0.000 0.992 451 V HN 0.472 nan 8.190 nan 0.000 0.428 452 I N 3.864 124.342 120.570 -0.153 0.000 2.355 452 I HA 0.376 4.545 4.170 -0.000 0.000 0.288 452 I C -0.414 175.597 176.117 -0.177 0.000 0.999 452 I CA -0.186 61.080 61.300 -0.056 0.000 1.163 452 I CB 1.196 39.179 38.000 -0.028 0.000 1.316 452 I HN 0.579 nan 8.210 nan 0.000 0.454 453 W N 4.579 125.844 121.300 -0.060 0.000 0.000 453 W HA 0.360 5.020 4.660 -0.000 0.000 0.000 453 W C -0.047 176.325 176.519 -0.245 0.000 0.000 453 W CA 0.026 57.286 57.345 -0.141 0.000 0.000 453 W CB 0.086 29.492 29.460 -0.089 0.000 0.000 453 W HN 0.221 nan 8.180 nan 0.000 0.000 454 Y N 1.990 122.359 120.300 0.116 0.000 2.307 454 Y HA 0.238 4.788 4.550 -0.000 0.000 0.324 454 Y C -1.499 174.384 175.900 -0.028 0.000 1.238 454 Y CA -2.176 55.862 58.100 -0.103 0.000 1.280 454 Y CB -0.251 38.085 38.460 -0.207 0.000 1.248 454 Y HN -0.106 nan 8.280 nan 0.000 0.508 455 P HA 0.011 nan 4.420 nan 0.000 0.276 455 P C -0.358 177.010 177.300 0.112 0.000 1.235 455 P CA 0.023 63.167 63.100 0.074 0.000 0.772 455 P CB 1.168 32.922 31.700 0.091 0.000 0.871 456 D N 1.151 121.604 120.400 0.088 0.000 2.123 456 D HA -0.098 4.542 4.640 -0.000 0.000 0.200 456 D C 0.505 176.857 176.300 0.085 0.000 0.976 456 D CA 1.465 55.538 54.000 0.121 0.000 0.831 456 D CB 0.002 40.899 40.800 0.161 0.000 0.974 456 D HN 0.450 nan 8.370 nan 0.000 0.469 457 D N 0.476 120.911 120.400 0.058 0.000 2.460 457 D HA 0.042 4.682 4.640 -0.000 0.000 0.229 457 D C -0.058 176.279 176.300 0.061 0.000 1.170 457 D CA 0.086 54.114 54.000 0.048 0.000 0.827 457 D CB 0.473 41.289 40.800 0.027 0.000 0.973 457 D HN -0.095 nan 8.370 nan 0.000 0.496 458 S N 0.404 116.162 115.700 0.097 0.000 2.554 458 S HA 0.156 4.625 4.470 -0.000 0.000 0.278 458 S C 1.190 175.845 174.600 0.092 0.000 1.242 458 S CA -0.504 57.767 58.200 0.117 0.000 1.051 458 S CB 1.289 64.621 63.200 0.220 0.000 0.986 458 S HN -0.130 nan 8.310 nan 0.000 0.502 459 K N 2.095 122.529 120.400 0.057 0.000 2.379 459 K HA 0.134 4.453 4.320 -0.000 0.000 0.194 459 K C 0.550 177.152 176.600 0.004 0.000 1.031 459 K CA 0.150 56.454 56.287 0.029 0.000 1.037 459 K CB -0.098 32.410 32.500 0.013 0.000 0.824 459 K HN 0.513 nan 8.250 nan 0.000 0.516 460 K N 2.090 122.486 120.400 -0.007 0.000 2.436 460 K HA -0.052 4.267 4.320 -0.000 0.000 0.275 460 K C -0.354 176.126 176.600 -0.199 0.000 0.999 460 K CA 0.129 56.334 56.287 -0.135 0.000 0.980 460 K CB 0.466 32.829 32.500 -0.227 0.000 0.919 460 K HN -0.172 nan 8.250 nan 0.000 0.484 461 E N 2.933 122.984 120.200 -0.248 0.000 2.289 461 E HA 0.086 4.436 4.350 -0.000 0.000 0.278 461 E C -1.617 174.761 176.600 -0.370 0.000 1.032 461 E CA -0.054 56.230 56.400 -0.194 0.000 0.854 461 E CB 0.437 30.063 29.700 -0.124 0.000 1.046 461 E HN 0.349 nan 8.360 nan 0.000 0.409 462 Y N 4.078 124.356 120.300 -0.037 0.000 2.447 462 Y HA 0.211 4.761 4.550 -0.000 0.000 0.325 462 Y C 0.504 176.356 175.900 -0.079 0.000 0.976 462 Y CA -0.791 57.288 58.100 -0.035 0.000 1.280 462 Y CB 1.024 39.449 38.460 -0.058 0.000 1.104 462 Y HN 0.568 nan 8.280 nan 0.000 0.486 463 N N -0.145 118.589 118.700 0.057 0.000 2.272 463 N HA -0.208 4.532 4.740 -0.000 0.000 0.185 463 N C 1.597 177.109 175.510 0.004 0.000 1.014 463 N CA 1.641 54.698 53.050 0.012 0.000 0.870 463 N CB -0.129 38.359 38.487 0.001 0.000 0.975 463 N HN 0.551 nan 8.380 nan 0.000 0.433 464 S N -0.792 114.935 115.700 0.045 0.000 2.501 464 S HA 0.002 4.471 4.470 -0.000 0.000 0.220 464 S C 0.768 175.348 174.600 -0.033 0.000 0.997 464 S CA -0.094 58.120 58.200 0.024 0.000 0.919 464 S CB 0.010 63.255 63.200 0.076 0.000 0.778 464 S HN 0.187 nan 8.310 nan 0.000 0.523 465 K N 3.927 124.219 120.400 -0.180 0.000 2.349 465 K HA 0.236 4.556 4.320 -0.000 0.000 0.288 465 K C -2.607 173.852 176.600 -0.234 0.000 1.058 465 K CA -1.794 54.224 56.287 -0.449 0.000 0.953 465 K CB 0.493 32.459 32.500 -0.891 0.000 0.997 465 K HN 0.154 nan 8.250 nan 0.000 0.477 466 P HA 0.158 nan 4.420 nan 0.000 0.278 466 P C -0.687 176.536 177.300 -0.128 0.000 1.238 466 P CA -0.317 62.659 63.100 -0.207 0.000 0.794 466 P CB 1.276 32.745 31.700 -0.385 0.000 0.955 467 K N 0.780 121.126 120.400 -0.091 0.000 2.276 467 K HA 0.222 4.542 4.320 -0.000 0.000 0.198 467 K C 0.569 177.163 176.600 -0.010 0.000 1.052 467 K CA 0.530 56.795 56.287 -0.037 0.000 0.984 467 K CB 0.123 32.607 32.500 -0.027 0.000 0.836 467 K HN 0.381 nan 8.250 nan 0.000 0.490 468 L N 0.968 122.170 121.223 -0.036 0.000 2.354 468 L HA 0.464 4.804 4.340 -0.000 0.000 0.264 468 L C -0.398 176.443 176.870 -0.048 0.000 1.008 468 L CA -1.097 53.742 54.840 -0.001 0.000 0.819 468 L CB 2.076 44.140 42.059 0.009 0.000 1.339 468 L HN -0.093 nan 8.230 nan 0.000 0.420 469 I N 1.546 122.131 120.570 0.024 0.000 2.396 469 I HA 0.218 4.388 4.170 -0.000 0.000 0.289 469 I C 0.346 176.474 176.117 0.018 0.000 1.056 469 I CA 0.268 61.575 61.300 0.012 0.000 1.365 469 I CB 1.191 39.288 38.000 0.163 0.000 1.407 469 I HN 0.702 nan 8.210 nan 0.000 0.509 470 T N 0.842 115.370 114.554 -0.043 0.000 2.930 470 T HA 0.281 4.631 4.350 -0.000 0.000 0.290 470 T C 0.564 175.257 174.700 -0.011 0.000 1.052 470 T CA -0.851 61.241 62.100 -0.013 0.000 1.017 470 T CB 1.703 70.547 68.868 -0.040 0.000 1.137 470 T HN 0.449 nan 8.240 nan 0.000 0.511 471 N N 0.471 119.188 118.700 0.027 0.000 2.120 471 N HA -0.106 4.634 4.740 -0.000 0.000 0.188 471 N C 1.742 177.246 175.510 -0.009 0.000 1.024 471 N CA 1.515 54.592 53.050 0.046 0.000 0.852 471 N CB -0.302 38.262 38.487 0.128 0.000 1.003 471 N HN 0.723 nan 8.380 nan 0.000 0.424 472 K N -0.135 120.259 120.400 -0.009 0.000 2.063 472 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 472 K C 1.807 178.376 176.600 -0.052 0.000 1.048 472 K CA 1.066 57.343 56.287 -0.017 0.000 0.928 472 K CB -0.296 32.192 32.500 -0.021 0.000 0.713 472 K HN 0.206 nan 8.250 nan 0.000 0.442 473 L N 0.965 122.129 121.223 -0.098 0.000 2.265 473 L HA -0.116 4.224 4.340 -0.000 0.000 0.215 473 L C 1.868 178.679 176.870 -0.099 0.000 1.117 473 L CA 1.289 56.042 54.840 -0.144 0.000 0.782 473 L CB -0.169 41.704 42.059 -0.310 0.000 0.914 473 L HN 0.241 nan 8.230 nan 0.000 0.441 474 M N -0.959 118.543 119.600 -0.163 0.000 2.394 474 M HA -0.045 4.435 4.480 -0.000 0.000 0.264 474 M C 0.760 176.929 176.300 -0.219 0.000 1.073 474 M CA 0.559 55.686 55.300 -0.289 0.000 1.111 474 M CB -0.768 31.303 32.600 -0.882 0.000 1.401 474 M HN 0.209 nan 8.290 nan 0.000 0.448 475 E N 1.182 121.317 120.200 -0.108 0.000 2.539 475 E HA -0.227 4.123 4.350 -0.000 0.000 0.253 475 E C 0.142 176.774 176.600 0.053 0.000 1.145 475 E CA 0.932 57.318 56.400 -0.023 0.000 0.738 475 E CB -2.338 27.334 29.700 -0.047 0.000 1.308 475 E HN 0.819 nan 8.360 nan 0.000 0.409 476 H N -2.402 116.673 119.070 0.009 0.000 2.850 476 H HA 0.530 5.086 4.556 -0.000 0.000 0.297 476 H C 0.760 176.064 175.328 -0.040 0.000 1.508 476 H CA -0.751 55.306 56.048 0.015 0.000 1.513 476 H CB 0.830 30.621 29.762 0.048 0.000 1.803 476 H HN -0.112 nan 8.280 nan 0.000 0.830 477 N N -0.686 117.949 118.700 -0.108 0.000 2.236 477 N HA 0.080 4.820 4.740 -0.000 0.000 0.196 477 N C -0.826 174.492 175.510 -0.321 0.000 1.114 477 N CA -0.224 52.634 53.050 -0.319 0.000 0.859 477 N CB 0.117 38.152 38.487 -0.754 0.000 0.982 477 N HN 0.467 nan 8.380 nan 0.000 0.493 478 C N 0.588 119.502 119.300 -0.642 0.000 2.443 478 C HA 0.280 4.740 4.460 -0.000 0.000 0.369 478 C C 1.033 175.901 174.990 -0.204 0.000 1.241 478 C CA -0.514 58.188 59.018 -0.526 0.000 2.413 478 C CB 0.470 27.728 27.740 -0.803 0.000 2.451 478 C HN 0.589 nan 8.230 nan 0.000 0.595 479 D N 0.576 121.018 120.400 0.069 0.000 2.340 479 D HA 0.153 4.793 4.640 -0.000 0.000 0.217 479 D C -0.333 176.220 176.300 0.422 0.000 1.081 479 D CA 0.191 54.334 54.000 0.239 0.000 0.842 479 D CB -0.286 40.678 40.800 0.272 0.000 0.934 479 D HN 0.716 nan 8.370 nan 0.000 0.511 480 Y N -2.137 118.297 120.300 0.224 0.000 2.609 480 Y HA 0.617 5.166 4.550 -0.000 0.000 0.336 480 Y C -1.475 174.557 175.900 0.219 0.000 1.129 480 Y CA -1.283 56.959 58.100 0.237 0.000 1.040 480 Y CB 1.399 40.005 38.460 0.244 0.000 1.310 480 Y HN -0.164 nan 8.280 nan 0.000 0.460 481 T N 3.488 118.080 114.554 0.063 0.000 2.861 481 T HA 0.432 4.781 4.350 -0.000 0.000 0.287 481 T C -2.317 172.436 174.700 0.089 0.000 1.003 481 T CA -2.344 59.716 62.100 -0.067 0.000 0.977 481 T CB 1.716 70.647 68.868 0.104 0.000 0.996 481 T HN 0.612 nan 8.240 nan 0.000 0.448 482 P HA 0.075 nan 4.420 nan 0.000 0.226 482 P C 0.771 177.964 177.300 -0.178 0.000 1.153 482 P CA 0.757 63.808 63.100 -0.081 0.000 0.777 482 P CB -0.093 31.435 31.700 -0.287 0.000 0.794 483 F N -0.231 119.818 119.950 0.165 0.000 2.732 483 F HA 0.206 4.733 4.527 -0.000 0.000 0.303 483 F C 1.106 176.978 175.800 0.121 0.000 1.110 483 F CA -0.724 57.351 58.000 0.126 0.000 1.355 483 F CB -0.591 38.475 39.000 0.110 0.000 1.081 483 F HN -0.138 nan 8.300 nan 0.000 0.565 484 E N 0.945 121.284 120.200 0.231 0.000 2.765 484 E HA 0.196 4.546 4.350 -0.000 0.000 0.256 484 E C 1.315 178.005 176.600 0.151 0.000 0.935 484 E CA 1.256 57.761 56.400 0.175 0.000 0.954 484 E CB 0.090 29.888 29.700 0.164 0.000 0.908 484 E HN 0.480 nan 8.360 nan 0.000 0.500 485 G N 3.459 112.333 108.800 0.123 0.000 2.241 485 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.244 485 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.244 485 G C 0.498 175.468 174.900 0.117 0.000 0.998 485 G CA 0.120 45.282 45.100 0.102 0.000 0.621 485 G HN 0.890 nan 8.290 nan 0.000 0.519 486 I N -0.524 120.142 120.570 0.161 0.000 2.581 486 I HA 0.683 4.853 4.170 -0.000 0.000 0.288 486 I C 0.373 176.599 176.117 0.181 0.000 1.047 486 I CA -0.839 60.574 61.300 0.189 0.000 1.374 486 I CB 0.712 38.862 38.000 0.250 0.000 1.423 486 I HN 0.142 nan 8.210 nan 0.000 0.549 487 E N 4.420 124.724 120.200 0.174 0.000 2.414 487 E HA 0.256 4.606 4.350 -0.000 0.000 0.263 487 E C -0.847 175.856 176.600 0.173 0.000 1.000 487 E CA -0.029 56.451 56.400 0.133 0.000 0.914 487 E CB 1.382 31.137 29.700 0.091 0.000 0.948 487 E HN 0.504 nan 8.360 nan 0.000 0.444 488 I N 2.434 123.087 120.570 0.138 0.000 2.499 488 I HA 0.085 4.255 4.170 -0.000 0.000 0.288 488 I C 0.079 176.278 176.117 0.138 0.000 1.048 488 I CA -0.168 61.245 61.300 0.188 0.000 1.062 488 I CB 1.362 39.547 38.000 0.308 0.000 1.238 488 I HN 0.366 nan 8.210 nan 0.000 0.426 489 K N 4.273 124.740 120.400 0.112 0.000 2.374 489 K HA 0.288 4.608 4.320 -0.000 0.000 0.196 489 K C 0.166 176.844 176.600 0.131 0.000 1.023 489 K CA 0.050 56.388 56.287 0.084 0.000 1.103 489 K CB 0.201 32.713 32.500 0.020 0.000 0.848 489 K HN 0.524 nan 8.250 nan 0.000 0.528 490 N N -0.603 118.213 118.700 0.194 0.000 2.825 490 N HA 0.246 4.986 4.740 -0.000 0.000 0.253 490 N C -2.099 173.699 175.510 0.479 0.000 1.426 490 N CA -0.475 52.705 53.050 0.216 0.000 0.851 490 N CB 1.891 40.297 38.487 -0.135 0.000 1.470 490 N HN -0.031 nan 8.380 nan 0.000 0.517 491 W N 1.445 122.967 121.300 0.370 0.000 3.275 491 W HA 0.333 4.993 4.660 -0.000 0.000 0.306 491 W C -2.867 173.696 176.519 0.074 0.000 1.259 491 W CA -1.128 56.384 57.345 0.278 0.000 1.194 491 W CB 1.391 30.974 29.460 0.205 0.000 1.375 491 W HN 0.319 nan 8.180 nan 0.000 0.564 492 P HA -0.007 nan 4.420 nan 0.000 0.261 492 P C 0.512 177.742 177.300 -0.117 0.000 1.183 492 P CA 0.839 63.554 63.100 -0.642 0.000 0.761 492 P CB 0.458 31.738 31.700 -0.701 0.000 0.785 493 R N 2.875 123.113 120.500 -0.436 0.000 2.128 493 R HA 0.079 4.418 4.340 -0.000 0.000 0.211 493 R C -0.247 175.751 176.300 -0.504 0.000 1.067 493 R CA 0.824 56.535 56.100 -0.649 0.000 1.010 493 R CB 0.271 29.873 30.300 -1.164 0.000 0.922 493 R HN 0.412 nan 8.270 nan 0.000 0.457 494 Y N -0.624 119.529 120.300 -0.246 0.000 2.406 494 Y HA 0.329 4.878 4.550 -0.000 0.000 0.340 494 Y C -0.853 174.979 175.900 -0.114 0.000 0.975 494 Y CA -0.788 57.233 58.100 -0.132 0.000 1.056 494 Y CB 2.624 41.005 38.460 -0.132 0.000 1.210 494 Y HN -0.217 nan 8.280 nan 0.000 0.448 495 T N 5.127 119.761 114.554 0.133 0.000 2.791 495 T HA 0.572 4.922 4.350 -0.000 0.000 0.288 495 T C -0.392 174.354 174.700 0.077 0.000 0.999 495 T CA -0.441 61.685 62.100 0.044 0.000 0.952 495 T CB 0.174 69.042 68.868 -0.001 0.000 0.938 495 T HN 0.349 nan 8.240 nan 0.000 0.444 496 I N 3.183 123.775 120.570 0.035 0.000 2.336 496 I HA 0.473 4.643 4.170 -0.000 0.000 0.292 496 I C -0.424 175.704 176.117 0.018 0.000 0.991 496 I CA -0.924 60.396 61.300 0.033 0.000 1.227 496 I CB 1.577 39.580 38.000 0.005 0.000 1.366 496 I HN 0.248 nan 8.210 nan 0.000 0.466 497 V N 6.479 126.410 119.914 0.029 0.000 2.376 497 V HA 0.267 4.387 4.120 -0.000 0.000 0.287 497 V C 0.112 176.215 176.094 0.014 0.000 1.015 497 V CA -0.982 61.331 62.300 0.022 0.000 0.834 497 V CB 1.165 33.013 31.823 0.041 0.000 1.001 497 V HN 0.770 nan 8.190 nan 0.000 0.428 498 K N 3.869 124.269 120.400 0.001 0.000 3.148 498 K HA -0.242 4.077 4.320 -0.000 0.000 0.267 498 K C 1.108 177.707 176.600 -0.002 0.000 0.996 498 K CA 0.644 56.928 56.287 -0.005 0.000 0.737 498 K CB -1.386 31.111 32.500 -0.006 0.000 1.308 498 K HN 1.578 nan 8.250 nan 0.000 0.470 499 G N -0.236 108.562 108.800 -0.004 0.000 2.162 499 G HA2 -0.349 3.610 3.960 -0.000 0.000 0.260 499 G HA3 -0.349 3.610 3.960 -0.000 0.000 0.260 499 G C -0.136 174.768 174.900 0.007 0.000 0.976 499 G CA 0.950 46.048 45.100 -0.004 0.000 0.655 499 G HN 0.383 nan 8.290 nan 0.000 0.533 500 K N -0.288 120.123 120.400 0.017 0.000 2.316 500 K HA 0.632 4.952 4.320 -0.000 0.000 0.251 500 K C 0.154 176.784 176.600 0.050 0.000 0.934 500 K CA -1.081 55.224 56.287 0.031 0.000 0.802 500 K CB 1.937 34.456 32.500 0.031 0.000 1.171 500 K HN 0.153 nan 8.250 nan 0.000 0.426 501 I N 2.999 123.609 120.570 0.066 0.000 2.436 501 I HA -0.043 4.127 4.170 -0.000 0.000 0.289 501 I C 0.841 177.020 176.117 0.105 0.000 1.083 501 I CA -0.067 61.296 61.300 0.104 0.000 1.372 501 I CB 0.585 38.668 38.000 0.138 0.000 1.408 501 I HN 0.437 nan 8.210 nan 0.000 0.516 502 V N 6.376 126.366 119.914 0.127 0.000 3.523 502 V HA 0.057 4.177 4.120 -0.000 0.000 0.255 502 V C -0.262 175.957 176.094 0.209 0.000 1.226 502 V CA 0.171 62.568 62.300 0.161 0.000 1.092 502 V CB -0.150 31.777 31.823 0.173 0.000 0.817 502 V HN 0.618 nan 8.190 nan 0.000 0.458 503 Y N 1.394 121.703 120.300 0.015 0.000 2.346 503 Y HA 0.609 5.158 4.550 -0.000 0.000 0.332 503 Y C -0.428 175.419 175.900 -0.089 0.000 0.985 503 Y CA -1.299 56.783 58.100 -0.030 0.000 1.112 503 Y CB 1.436 39.869 38.460 -0.046 0.000 1.170 503 Y HN -0.027 nan 8.280 nan 0.000 0.447 504 K N 5.222 125.325 120.400 -0.495 0.000 2.579 504 K HA 0.297 4.616 4.320 -0.000 0.000 0.250 504 K C -0.784 175.422 176.600 -0.657 0.000 0.952 504 K CA -0.361 55.569 56.287 -0.596 0.000 0.857 504 K CB 0.834 33.108 32.500 -0.377 0.000 1.123 504 K HN 0.865 nan 8.250 nan 0.000 0.433 505 E N 2.523 122.334 120.200 -0.648 0.000 2.252 505 E HA -0.280 4.070 4.350 -0.000 0.000 0.218 505 E C 0.489 176.894 176.600 -0.325 0.000 1.253 505 E CA 0.902 57.092 56.400 -0.350 0.000 0.705 505 E CB -1.263 28.298 29.700 -0.232 0.000 1.172 505 E HN 1.165 nan 8.360 nan 0.000 0.369 506 G N -0.588 107.884 108.800 -0.546 0.000 2.217 506 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.246 506 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.246 506 G C -0.104 174.586 174.900 -0.349 0.000 0.990 506 G CA 0.295 45.201 45.100 -0.323 0.000 0.627 506 G HN 0.236 nan 8.290 nan 0.000 0.522 507 E N 0.751 120.650 120.200 -0.503 0.000 2.166 507 E HA 0.556 4.906 4.350 -0.000 0.000 0.275 507 E C 0.254 176.735 176.600 -0.200 0.000 0.941 507 E CA -0.812 55.440 56.400 -0.247 0.000 0.784 507 E CB 1.672 31.274 29.700 -0.163 0.000 1.115 507 E HN 0.234 nan 8.360 nan 0.000 0.399 508 I N 3.026 123.616 120.570 0.033 0.000 2.474 508 I HA 0.077 4.247 4.170 -0.000 0.000 0.287 508 I C 0.227 176.405 176.117 0.101 0.000 1.048 508 I CA -0.639 60.741 61.300 0.134 0.000 1.383 508 I CB 0.532 38.593 38.000 0.102 0.000 1.412 508 I HN 0.360 nan 8.210 nan 0.000 0.531 509 L N 7.184 128.487 121.223 0.132 0.000 2.417 509 L HA 0.247 4.587 4.340 -0.000 0.000 0.258 509 L C 1.544 178.513 176.870 0.166 0.000 1.088 509 L CA 0.047 54.956 54.840 0.114 0.000 0.975 509 L CB 0.329 42.435 42.059 0.078 0.000 1.341 509 L HN 0.525 nan 8.230 nan 0.000 0.431 510 K N 1.647 122.164 120.400 0.195 0.000 2.160 510 K HA -0.208 4.112 4.320 -0.000 0.000 0.206 510 K C 1.774 178.406 176.600 0.054 0.000 1.047 510 K CA 1.716 58.121 56.287 0.197 0.000 0.930 510 K CB 0.320 32.929 32.500 0.182 0.000 0.720 510 K HN 0.682 nan 8.250 nan 0.000 0.450 511 E N 0.090 120.320 120.200 0.051 0.000 2.338 511 E HA -0.178 4.171 4.350 -0.000 0.000 0.197 511 E C 0.490 177.098 176.600 0.014 0.000 1.007 511 E CA 0.944 57.357 56.400 0.021 0.000 0.849 511 E CB -0.151 29.564 29.700 0.025 0.000 0.774 511 E HN 0.281 nan 8.360 nan 0.000 0.506 512 N N 0.958 119.677 118.700 0.032 0.000 2.230 512 N HA 0.153 4.893 4.740 -0.000 0.000 0.202 512 N C -0.366 175.152 175.510 0.014 0.000 1.119 512 N CA 0.442 53.510 53.050 0.030 0.000 0.851 512 N CB 0.875 39.394 38.487 0.053 0.000 0.990 512 N HN 0.200 nan 8.380 nan 0.000 0.497 513 A N 0.766 123.562 122.820 -0.040 0.000 2.395 513 A HA 0.213 4.533 4.320 -0.000 0.000 0.286 513 A C 0.073 177.584 177.584 -0.122 0.000 1.193 513 A CA 0.103 52.053 52.037 -0.144 0.000 0.852 513 A CB 0.067 18.761 19.000 -0.511 0.000 1.118 513 A HN 0.013 nan 8.150 nan 0.000 0.524 514 D N 2.113 122.474 120.400 -0.065 0.000 2.865 514 D HA 0.247 4.887 4.640 -0.000 0.000 0.347 514 D C 0.665 176.958 176.300 -0.012 0.000 1.498 514 D CA 0.409 54.386 54.000 -0.039 0.000 0.787 514 D CB -0.006 40.783 40.800 -0.019 0.000 1.190 514 D HN 0.657 nan 8.370 nan 0.000 0.445 515 G N 0.889 109.684 108.800 -0.008 0.000 2.491 515 G HA2 0.404 4.364 3.960 -0.000 0.000 0.242 515 G HA3 0.404 4.364 3.960 -0.000 0.000 0.242 515 G C -0.106 174.842 174.900 0.078 0.000 1.266 515 G CA -0.076 45.049 45.100 0.042 0.000 0.844 515 G HN 0.138 nan 8.290 nan 0.000 0.571 516 K N -0.275 120.174 120.400 0.080 0.000 2.482 516 K HA 0.273 4.593 4.320 -0.000 0.000 0.257 516 K C -1.241 175.361 176.600 0.003 0.000 0.969 516 K CA -0.924 55.413 56.287 0.084 0.000 0.842 516 K CB 2.257 34.770 32.500 0.022 0.000 1.359 516 K HN 0.527 nan 8.250 nan 0.000 0.441 517 Y N 1.803 122.005 120.300 -0.163 0.000 2.610 517 Y HA 0.161 4.710 4.550 -0.000 0.000 0.332 517 Y C -0.835 174.855 175.900 -0.350 0.000 1.201 517 Y CA -0.114 57.645 58.100 -0.568 0.000 1.465 517 Y CB 0.389 38.626 38.460 -0.373 0.000 1.283 517 Y HN 0.347 nan 8.280 nan 0.000 0.563 518 L N 7.354 127.784 121.223 -1.323 0.000 2.280 518 L HA 0.390 4.730 4.340 -0.000 0.000 0.287 518 L C -0.810 175.440 176.870 -1.033 0.000 1.023 518 L CA -0.573 53.740 54.840 -0.878 0.000 0.819 518 L CB 0.886 42.610 42.059 -0.557 0.000 1.212 518 L HN 0.584 nan 8.230 nan 0.000 0.420 519 K N 5.488 125.540 120.400 -0.581 0.000 2.312 519 K HA 0.374 4.693 4.320 -0.000 0.000 0.287 519 K C -0.394 176.061 176.600 -0.242 0.000 1.062 519 K CA -0.273 55.809 56.287 -0.343 0.000 0.934 519 K CB 0.824 33.204 32.500 -0.199 0.000 1.027 519 K HN 0.529 nan 8.250 nan 0.000 0.478 520 R N 0.937 121.333 120.500 -0.174 0.000 2.598 520 R HA 0.368 4.707 4.340 -0.000 0.000 0.279 520 R C 0.506 176.845 176.300 0.064 0.000 0.984 520 R CA -0.755 55.302 56.100 -0.072 0.000 0.999 520 R CB 1.453 31.709 30.300 -0.074 0.000 1.114 520 R HN 0.697 nan 8.270 nan 0.000 0.493 521 G N 0.845 109.710 108.800 0.107 0.000 2.531 521 G HA2 0.231 4.191 3.960 -0.000 0.000 0.281 521 G HA3 0.231 4.191 3.960 -0.000 0.000 0.281 521 G C -0.670 174.310 174.900 0.134 0.000 1.382 521 G CA -0.566 44.667 45.100 0.222 0.000 1.045 521 G HN 0.211 nan 8.290 nan 0.000 0.533 522 K N 0.429 120.852 120.400 0.039 0.000 2.249 522 K HA 0.293 4.613 4.320 -0.000 0.000 0.280 522 K C 0.218 176.820 176.600 0.003 0.000 1.033 522 K CA -0.193 56.047 56.287 -0.078 0.000 0.946 522 K CB 1.495 33.920 32.500 -0.124 0.000 1.005 522 K HN 0.352 nan 8.250 nan 0.000 0.469 523 S N 2.448 118.123 115.700 -0.041 0.000 2.528 523 S HA 0.109 4.579 4.470 -0.000 0.000 0.277 523 S C 1.174 175.740 174.600 -0.057 0.000 1.297 523 S CA -0.688 57.467 58.200 -0.074 0.000 1.052 523 S CB 0.038 63.117 63.200 -0.201 0.000 0.917 523 S HN 0.463 nan 8.310 nan 0.000 0.492 524 F N 4.049 123.975 119.950 -0.038 0.000 2.546 524 F HA 0.157 4.684 4.527 -0.000 0.000 0.298 524 F C 1.488 177.263 175.800 -0.041 0.000 1.120 524 F CA 0.645 58.626 58.000 -0.030 0.000 1.456 524 F CB -0.471 38.518 39.000 -0.019 0.000 1.088 524 F HN 0.512 nan 8.300 nan 0.000 0.572 525 M N -0.685 118.478 119.600 -0.729 0.000 2.558 525 M HA 0.030 4.510 4.480 -0.000 0.000 0.255 525 M C 0.725 176.950 176.300 -0.125 0.000 1.113 525 M CA 0.394 55.375 55.300 -0.531 0.000 1.097 525 M CB -0.109 31.988 32.600 -0.839 0.000 1.426 525 M HN 0.298 nan 8.290 nan 0.000 0.488 526 C N 0.696 119.937 119.300 -0.100 0.000 3.000 526 C HA 0.164 4.624 4.460 -0.000 0.000 0.286 526 C C 1.384 176.377 174.990 0.004 0.000 1.343 526 C CA -0.605 58.412 59.018 -0.001 0.000 1.742 526 C CB -1.427 26.304 27.740 -0.015 0.000 2.200 526 C HN 0.475 nan 8.230 nan 0.000 0.621 527 T N 0.926 115.485 114.554 0.008 0.000 2.926 527 T HA 0.276 4.626 4.350 -0.000 0.000 0.307 527 T C -2.296 172.402 174.700 -0.003 0.000 1.059 527 T CA -0.688 61.423 62.100 0.017 0.000 1.122 527 T CB 0.561 69.451 68.868 0.037 0.000 0.972 527 T HN 0.178 nan 8.240 nan 0.000 0.545 528 P HA 0.270 nan 4.420 nan 0.000 0.276 528 P C 0.511 177.763 177.300 -0.079 0.000 1.244 528 P CA -0.710 62.352 63.100 -0.063 0.000 0.801 528 P CB 0.958 32.623 31.700 -0.059 0.000 1.006 529 K N 0.862 121.178 120.400 -0.139 0.000 2.288 529 K HA -0.042 4.278 4.320 -0.000 0.000 0.201 529 K C 0.013 176.529 176.600 -0.140 0.000 1.048 529 K CA 0.413 56.621 56.287 -0.132 0.000 0.956 529 K CB -0.380 32.023 32.500 -0.162 0.000 0.746 529 K HN 0.463 nan 8.250 nan 0.000 0.461 530 N N 1.630 120.207 118.700 -0.205 0.000 2.758 530 N HA -0.184 4.556 4.740 -0.000 0.000 0.248 530 N C -0.840 174.547 175.510 -0.204 0.000 1.076 530 N CA 0.841 53.802 53.050 -0.148 0.000 0.696 530 N CB -1.153 37.340 38.487 0.009 0.000 0.979 530 N HN 0.424 nan 8.380 nan 0.000 0.550 531 E N -0.667 119.242 120.200 -0.485 0.000 2.234 531 E HA 0.509 4.859 4.350 -0.000 0.000 0.266 531 E C -0.895 175.381 176.600 -0.540 0.000 0.877 531 E CA -0.571 55.639 56.400 -0.318 0.000 0.758 531 E CB 1.268 30.847 29.700 -0.202 0.000 1.170 531 E HN 0.152 nan 8.360 nan 0.000 0.415 532 W N 2.026 123.332 121.300 0.009 0.000 2.962 532 W HA 0.294 4.953 4.660 -0.000 0.000 0.341 532 W C 0.652 177.199 176.519 0.047 0.000 1.155 532 W CA -0.697 56.672 57.345 0.040 0.000 1.165 532 W CB 1.065 30.550 29.460 0.041 0.000 1.435 532 W HN 0.261 nan 8.180 nan 0.000 0.546 533 V N 0.407 120.523 119.914 0.337 0.000 2.649 533 V HA -0.033 4.087 4.120 -0.000 0.000 0.248 533 V C 0.896 177.101 176.094 0.186 0.000 1.054 533 V CA 1.914 64.335 62.300 0.202 0.000 1.073 533 V CB -0.754 31.167 31.823 0.164 0.000 0.699 533 V HN 0.692 nan 8.190 nan 0.000 0.463 534 T N -2.203 112.491 114.554 0.234 0.000 2.773 534 T HA 0.301 4.651 4.350 -0.000 0.000 0.278 534 T C 0.871 175.656 174.700 0.141 0.000 1.011 534 T CA 0.080 62.278 62.100 0.163 0.000 1.014 534 T CB 1.891 70.844 68.868 0.142 0.000 1.293 534 T HN 0.383 nan 8.240 nan 0.000 0.554 535 E N -0.727 119.524 120.200 0.085 0.000 2.418 535 E HA -0.037 4.313 4.350 -0.000 0.000 0.197 535 E C 0.169 176.740 176.600 -0.048 0.000 1.026 535 E CA -0.403 56.006 56.400 0.014 0.000 0.862 535 E CB -0.123 29.583 29.700 0.010 0.000 0.799 535 E HN 0.632 nan 8.360 nan 0.000 0.518 536 W N 2.492 123.686 121.300 -0.177 0.000 2.223 536 W HA 0.083 4.743 4.660 -0.000 0.000 0.334 536 W C -0.197 175.981 176.519 -0.568 0.000 1.334 536 W CA -0.004 57.181 57.345 -0.268 0.000 1.246 536 W CB 0.574 29.927 29.460 -0.179 0.000 1.184 536 W HN -0.159 nan 8.180 nan 0.000 0.563 537 R N 5.681 125.227 120.500 -1.590 0.000 2.744 537 R HA 0.402 4.742 4.340 -0.000 0.000 0.279 537 R C -2.497 172.594 176.300 -2.014 0.000 0.977 537 R CA -2.532 52.441 56.100 -1.879 0.000 0.906 537 R CB 0.809 30.465 30.300 -1.075 0.000 1.197 537 R HN 0.292 nan 8.270 nan 0.000 0.463 538 P HA 0.114 nan 4.420 nan 0.000 0.268 538 P C 0.573 177.513 177.300 -0.599 0.000 1.205 538 P CA -0.161 62.416 63.100 -0.872 0.000 0.771 538 P CB 0.787 31.958 31.700 -0.882 0.000 0.858 539 K N 1.914 122.221 120.400 -0.155 0.000 2.107 539 K HA -0.229 4.090 4.320 -0.000 0.000 0.211 539 K C 1.808 178.353 176.600 -0.091 0.000 1.049 539 K CA 2.132 58.379 56.287 -0.066 0.000 0.927 539 K CB -0.628 31.938 32.500 0.110 0.000 0.714 539 K HN 0.663 nan 8.250 nan 0.000 0.452 540 Y N 0.313 120.592 120.300 -0.035 0.000 2.680 540 Y HA 0.142 4.692 4.550 -0.000 0.000 0.303 540 Y C 0.607 176.462 175.900 -0.075 0.000 1.166 540 Y CA -0.005 58.069 58.100 -0.043 0.000 1.344 540 Y CB -0.356 38.082 38.460 -0.036 0.000 1.002 540 Y HN 0.012 nan 8.280 nan 0.000 0.537 541 E N 0.000 119.963 120.200 -0.395 0.000 2.725 541 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 541 E CA 0.000 56.215 56.400 -0.308 0.000 0.976 541 E CB 0.000 29.415 29.700 -0.474 0.000 0.812 541 E HN 0.000 nan 8.360 nan 0.000 0.440