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 2fvk_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 0.000 177.222 177.300 -0.129 0.000 1.155 2 P CA 0.000 63.056 63.100 -0.074 0.000 0.800 2 P CB 0.000 31.681 31.700 -0.032 0.000 0.726 3 I N -3.410 117.002 120.570 -0.264 0.000 3.226 3 I HA 0.217 4.386 4.170 -0.000 0.000 0.277 3 I C -0.434 175.401 176.117 -0.471 0.000 1.243 3 I CA 0.568 61.606 61.300 -0.436 0.000 1.459 3 I CB -0.152 37.456 38.000 -0.653 0.000 1.093 3 I HN 0.181 nan 8.210 nan 0.000 0.453 4 Y N 1.320 121.614 120.300 -0.010 0.000 2.462 4 Y HA 0.365 4.914 4.550 -0.000 0.000 0.346 4 Y C 0.599 176.492 175.900 -0.012 0.000 0.976 4 Y CA -1.195 56.898 58.100 -0.012 0.000 1.044 4 Y CB 1.303 39.755 38.460 -0.014 0.000 1.230 4 Y HN -0.154 nan 8.280 nan 0.000 0.455 5 D N 1.223 121.715 120.400 0.154 0.000 2.144 5 D HA -0.062 4.578 4.640 -0.000 0.000 0.200 5 D C -0.224 176.115 176.300 0.065 0.000 0.978 5 D CA 1.581 55.627 54.000 0.078 0.000 0.833 5 D CB 0.439 41.271 40.800 0.053 0.000 0.961 5 D HN 0.227 nan 8.370 nan 0.000 0.470 6 L N 0.165 121.428 121.223 0.067 0.000 2.493 6 L HA 0.399 4.739 4.340 -0.000 0.000 0.265 6 L C -1.700 175.163 176.870 -0.012 0.000 0.954 6 L CA -0.484 54.365 54.840 0.014 0.000 0.844 6 L CB 2.211 44.261 42.059 -0.015 0.000 1.302 6 L HN -0.225 nan 8.230 nan 0.000 0.405 7 I N 5.710 126.265 120.570 -0.025 0.000 2.465 7 I HA 0.468 4.637 4.170 -0.000 0.000 0.291 7 I C -0.713 175.350 176.117 -0.090 0.000 1.014 7 I CA -0.553 60.713 61.300 -0.057 0.000 1.093 7 I CB 1.906 39.898 38.000 -0.013 0.000 1.267 7 I HN 0.463 nan 8.210 nan 0.000 0.431 8 I N 6.513 127.017 120.570 -0.110 0.000 2.328 8 I HA 0.364 4.534 4.170 -0.000 0.000 0.287 8 I C -0.149 175.907 176.117 -0.102 0.000 1.012 8 I CA -0.502 60.720 61.300 -0.130 0.000 1.195 8 I CB 0.781 38.696 38.000 -0.143 0.000 1.350 8 I HN 0.478 nan 8.210 nan 0.000 0.464 9 K N 4.649 124.994 120.400 -0.092 0.000 2.238 9 K HA 0.465 4.785 4.320 -0.000 0.000 0.239 9 K C 0.161 176.725 176.600 -0.061 0.000 0.987 9 K CA -0.892 55.356 56.287 -0.064 0.000 0.857 9 K CB 1.027 33.501 32.500 -0.044 0.000 1.154 9 K HN 0.483 nan 8.250 nan 0.000 0.439 10 N N -0.588 118.085 118.700 -0.045 0.000 2.708 10 N HA -0.151 4.588 4.740 -0.000 0.000 0.251 10 N C -0.293 175.187 175.510 -0.050 0.000 1.123 10 N CA 1.281 54.308 53.050 -0.038 0.000 0.739 10 N CB -1.301 37.172 38.487 -0.023 0.000 1.113 10 N HN 0.853 nan 8.380 nan 0.000 0.561 11 G N -0.561 108.200 108.800 -0.065 0.000 2.509 11 G HA2 0.712 4.672 3.960 -0.000 0.000 0.328 11 G HA3 0.712 4.672 3.960 -0.000 0.000 0.328 11 G C -0.145 174.702 174.900 -0.087 0.000 1.194 11 G CA -0.532 44.526 45.100 -0.070 0.000 0.967 11 G HN 0.124 nan 8.290 nan 0.000 0.488 12 I N 1.329 121.854 120.570 -0.076 0.000 2.354 12 I HA 0.290 4.460 4.170 -0.000 0.000 0.286 12 I C 0.104 176.214 176.117 -0.010 0.000 1.007 12 I CA -0.684 60.577 61.300 -0.064 0.000 1.167 12 I CB 1.098 39.063 38.000 -0.058 0.000 1.320 12 I HN 0.270 nan 8.210 nan 0.000 0.458 13 I N 5.283 125.720 120.570 -0.222 0.000 2.471 13 I HA 0.107 4.277 4.170 -0.000 0.000 0.286 13 I C 0.299 176.356 176.117 -0.100 0.000 1.079 13 I CA 0.141 61.303 61.300 -0.230 0.000 1.398 13 I CB 0.990 38.679 38.000 -0.517 0.000 1.403 13 I HN 0.555 nan 8.210 nan 0.000 0.530 14 C N 6.553 125.854 119.300 0.002 0.000 2.345 14 C HA 0.713 5.172 4.460 -0.000 0.000 0.323 14 C C 0.610 175.602 174.990 0.003 0.000 1.276 14 C CA -0.112 58.895 59.018 -0.019 0.000 1.543 14 C CB 0.486 28.126 27.740 -0.167 0.000 2.211 14 C HN 0.951 nan 8.230 nan 0.000 0.493 15 T N 2.049 116.625 114.554 0.037 0.000 2.841 15 T HA 0.632 4.981 4.350 -0.000 0.000 0.276 15 T C 1.006 175.716 174.700 0.016 0.000 1.003 15 T CA 0.130 62.260 62.100 0.050 0.000 0.995 15 T CB 1.312 70.240 68.868 0.101 0.000 1.260 15 T HN 0.943 nan 8.240 nan 0.000 0.581 16 A N 0.148 122.983 122.820 0.025 0.000 2.168 16 A HA 0.207 4.527 4.320 -0.000 0.000 0.215 16 A C 2.034 179.619 177.584 0.003 0.000 1.152 16 A CA 1.424 53.465 52.037 0.006 0.000 0.716 16 A CB -0.970 18.037 19.000 0.011 0.000 0.794 16 A HN 1.245 nan 8.150 nan 0.000 0.465 17 S N -2.444 113.267 115.700 0.018 0.000 2.744 17 S HA 0.226 4.695 4.470 -0.000 0.000 0.265 17 S C -0.361 174.254 174.600 0.026 0.000 1.065 17 S CA -0.371 57.838 58.200 0.014 0.000 1.191 17 S CB 0.399 63.606 63.200 0.011 0.000 1.150 17 S HN 0.296 nan 8.310 nan 0.000 0.646 18 D N 1.027 121.464 120.400 0.062 0.000 2.732 18 D HA 0.538 5.178 4.640 -0.000 0.000 0.229 18 D C -1.246 175.165 176.300 0.185 0.000 1.152 18 D CA -0.325 53.745 54.000 0.116 0.000 0.854 18 D CB 2.300 43.174 40.800 0.123 0.000 1.590 18 D HN 0.216 nan 8.370 nan 0.000 0.468 19 I N 2.193 122.892 120.570 0.215 0.000 2.478 19 I HA 0.401 4.571 4.170 -0.000 0.000 0.287 19 I C -1.175 175.152 176.117 0.350 0.000 1.042 19 I CA -0.856 60.576 61.300 0.220 0.000 1.067 19 I CB 1.415 39.488 38.000 0.122 0.000 1.233 19 I HN 0.377 nan 8.210 nan 0.000 0.431 20 Y N 3.982 124.322 120.300 0.066 0.000 2.620 20 Y HA 0.760 5.310 4.550 -0.000 0.000 0.331 20 Y C -1.110 174.817 175.900 0.045 0.000 1.173 20 Y CA -1.434 56.694 58.100 0.048 0.000 1.076 20 Y CB 0.956 39.433 38.460 0.028 0.000 1.336 20 Y HN 0.529 nan 8.280 nan 0.000 0.459 21 A N 2.090 124.940 122.820 0.049 0.000 2.354 21 A HA 0.859 5.179 4.320 -0.000 0.000 0.281 21 A C -0.117 177.453 177.584 -0.022 0.000 1.174 21 A CA 0.504 52.520 52.037 -0.035 0.000 0.828 21 A CB -0.524 18.483 19.000 0.012 0.000 1.099 21 A HN 1.841 nan 8.150 nan 0.000 0.516 22 A N 2.918 125.660 122.820 -0.131 0.000 2.540 22 A HA 0.724 5.043 4.320 -0.000 0.000 0.291 22 A C -0.937 176.591 177.584 -0.094 0.000 1.083 22 A CA -0.740 51.259 52.037 -0.065 0.000 0.650 22 A CB 0.827 19.827 19.000 0.000 0.000 1.292 22 A HN 0.736 nan 8.150 nan 0.000 0.435 23 E N -0.253 119.914 120.200 -0.055 0.000 2.244 23 E HA 0.692 5.042 4.350 -0.000 0.000 0.266 23 E C -1.338 175.215 176.600 -0.079 0.000 0.914 23 E CA -0.646 55.712 56.400 -0.069 0.000 0.794 23 E CB 2.413 32.083 29.700 -0.051 0.000 1.210 23 E HN 0.494 nan 8.360 nan 0.000 0.414 24 I N 1.206 121.715 120.570 -0.101 0.000 2.465 24 I HA 0.498 4.668 4.170 -0.000 0.000 0.291 24 I C -0.598 175.417 176.117 -0.170 0.000 1.014 24 I CA -0.817 60.410 61.300 -0.122 0.000 1.093 24 I CB 1.946 39.885 38.000 -0.103 0.000 1.267 24 I HN 0.469 nan 8.210 nan 0.000 0.431 25 A N 5.916 128.578 122.820 -0.264 0.000 2.330 25 A HA 0.858 5.178 4.320 -0.000 0.000 0.327 25 A C -0.848 176.539 177.584 -0.329 0.000 1.155 25 A CA -0.546 51.238 52.037 -0.422 0.000 0.803 25 A CB 1.425 19.829 19.000 -0.994 0.000 1.208 25 A HN 0.452 nan 8.150 nan 0.000 0.477 26 V N 2.423 122.218 119.914 -0.199 0.000 2.604 26 V HA 0.608 4.728 4.120 -0.000 0.000 0.305 26 V C -0.581 175.523 176.094 0.018 0.000 1.043 26 V CA -0.578 61.672 62.300 -0.082 0.000 0.888 26 V CB 2.011 33.803 31.823 -0.052 0.000 0.995 26 V HN 1.009 nan 8.190 nan 0.000 0.429 27 N N 2.706 121.433 118.700 0.046 0.000 2.446 27 N HA 0.379 5.119 4.740 -0.000 0.000 0.272 27 N C -0.290 175.250 175.510 0.051 0.000 1.127 27 N CA -0.430 52.677 53.050 0.096 0.000 0.896 27 N CB 1.273 39.887 38.487 0.212 0.000 1.658 27 N HN 0.549 nan 8.380 nan 0.000 0.483 28 N N 2.075 120.798 118.700 0.039 0.000 2.740 28 N HA -0.167 4.573 4.740 -0.000 0.000 0.248 28 N C 0.565 176.080 175.510 0.009 0.000 1.062 28 N CA 2.100 55.162 53.050 0.021 0.000 0.704 28 N CB -1.229 37.270 38.487 0.019 0.000 0.968 28 N HN 1.089 nan 8.380 nan 0.000 0.547 29 G N -1.561 107.244 108.800 0.008 0.000 2.162 29 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.260 29 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.260 29 G C 0.031 174.925 174.900 -0.010 0.000 0.976 29 G CA 0.918 46.017 45.100 -0.001 0.000 0.655 29 G HN 0.648 nan 8.290 nan 0.000 0.533 30 K N -0.693 119.701 120.400 -0.010 0.000 2.477 30 K HA 0.607 4.927 4.320 -0.000 0.000 0.255 30 K C 0.110 176.692 176.600 -0.029 0.000 0.952 30 K CA -1.017 55.257 56.287 -0.021 0.000 0.826 30 K CB 2.833 35.321 32.500 -0.020 0.000 1.331 30 K HN 0.039 nan 8.250 nan 0.000 0.437 31 V N 3.415 123.305 119.914 -0.040 0.000 2.540 31 V HA -0.055 4.065 4.120 -0.000 0.000 0.297 31 V C 0.707 176.766 176.094 -0.058 0.000 1.024 31 V CA 0.494 62.760 62.300 -0.056 0.000 1.105 31 V CB 0.990 32.785 31.823 -0.048 0.000 0.938 31 V HN 0.742 nan 8.190 nan 0.000 0.482 32 Q N 3.325 123.068 119.800 -0.095 0.000 2.423 32 Q HA 0.432 4.772 4.340 -0.000 0.000 0.231 32 Q C -0.014 175.925 176.000 -0.103 0.000 0.894 32 Q CA 0.439 56.190 55.803 -0.087 0.000 0.938 32 Q CB 1.105 29.779 28.738 -0.107 0.000 1.079 32 Q HN 0.693 nan 8.270 nan 0.000 0.552 33 L N 0.199 121.331 121.223 -0.151 0.000 2.592 33 L HA 0.467 4.807 4.340 -0.000 0.000 0.258 33 L C -1.832 174.975 176.870 -0.104 0.000 0.926 33 L CA -0.380 54.380 54.840 -0.133 0.000 0.885 33 L CB 1.859 43.781 42.059 -0.229 0.000 1.380 33 L HN -0.080 nan 8.230 nan 0.000 0.415 34 I N 4.282 124.827 120.570 -0.041 0.000 2.436 34 I HA 0.864 5.034 4.170 -0.000 0.000 0.289 34 I C -0.245 175.882 176.117 0.017 0.000 1.010 34 I CA -0.299 60.999 61.300 -0.004 0.000 1.098 34 I CB 1.863 39.898 38.000 0.059 0.000 1.266 34 I HN 0.698 nan 8.210 nan 0.000 0.434 35 A N 3.829 126.657 122.820 0.014 0.000 2.602 35 A HA 0.822 5.141 4.320 -0.000 0.000 0.290 35 A C 0.394 177.998 177.584 0.034 0.000 1.114 35 A CA 0.004 52.057 52.037 0.027 0.000 0.683 35 A CB 1.147 20.154 19.000 0.011 0.000 1.281 35 A HN 0.764 nan 8.150 nan 0.000 0.416 36 A N 0.056 122.900 122.820 0.040 0.000 1.902 36 A HA 0.342 4.661 4.320 -0.000 0.000 0.217 36 A C 1.225 178.821 177.584 0.019 0.000 1.181 36 A CA 2.248 54.308 52.037 0.039 0.000 0.623 36 A CB -0.366 18.657 19.000 0.038 0.000 0.818 36 A HN 1.938 nan 8.150 nan 0.000 0.443 37 S N -1.340 114.369 115.700 0.015 0.000 2.614 37 S HA 0.611 5.080 4.470 -0.000 0.000 0.275 37 S C -1.215 173.392 174.600 0.012 0.000 1.161 37 S CA -0.644 57.562 58.200 0.009 0.000 0.969 37 S CB 0.639 63.846 63.200 0.012 0.000 1.059 37 S HN 0.253 nan 8.310 nan 0.000 0.482 38 I N 3.301 123.875 120.570 0.008 0.000 2.378 38 I HA 0.306 4.476 4.170 -0.000 0.000 0.291 38 I C -0.279 175.859 176.117 0.036 0.000 0.992 38 I CA -0.828 60.486 61.300 0.024 0.000 1.154 38 I CB 1.572 39.573 38.000 0.001 0.000 1.315 38 I HN 0.569 nan 8.210 nan 0.000 0.448 39 D N 9.536 129.967 120.400 0.051 0.000 2.502 39 D HA -0.005 4.635 4.640 -0.000 0.000 0.249 39 D C -1.268 175.062 176.300 0.050 0.000 1.188 39 D CA -1.498 52.529 54.000 0.044 0.000 0.890 39 D CB 1.079 41.904 40.800 0.042 0.000 1.140 39 D HN 0.271 nan 8.370 nan 0.000 0.505 40 P HA -0.169 nan 4.420 nan 0.000 0.221 40 P C 1.081 178.399 177.300 0.031 0.000 1.145 40 P CA 0.875 63.992 63.100 0.029 0.000 0.795 40 P CB -0.012 31.697 31.700 0.015 0.000 0.775 41 S N -0.518 115.197 115.700 0.025 0.000 2.474 41 S HA -0.043 4.427 4.470 -0.000 0.000 0.235 41 S C 1.866 176.473 174.600 0.012 0.000 0.997 41 S CA 0.582 58.791 58.200 0.015 0.000 0.949 41 S CB -1.460 61.744 63.200 0.007 0.000 0.766 41 S HN 0.140 nan 8.310 nan 0.000 0.517 42 L N 0.994 122.238 121.223 0.035 0.000 2.492 42 L HA 0.287 4.627 4.340 -0.000 0.000 0.223 42 L C 1.326 178.228 176.870 0.052 0.000 1.132 42 L CA 0.184 55.036 54.840 0.019 0.000 0.850 42 L CB -0.636 41.475 42.059 0.087 0.000 0.966 42 L HN 0.437 nan 8.230 nan 0.000 0.454 43 G N -1.576 107.277 108.800 0.089 0.000 2.448 43 G HA2 0.375 4.335 3.960 -0.000 0.000 0.324 43 G HA3 0.375 4.335 3.960 -0.000 0.000 0.324 43 G C 0.319 175.247 174.900 0.047 0.000 1.203 43 G CA -0.297 44.865 45.100 0.103 0.000 0.954 43 G HN -0.106 nan 8.290 nan 0.000 0.480 44 S N 0.170 115.897 115.700 0.044 0.000 2.387 44 S HA 0.013 4.483 4.470 -0.000 0.000 0.226 44 S C 0.766 175.380 174.600 0.023 0.000 1.026 44 S CA 0.950 59.164 58.200 0.025 0.000 0.972 44 S CB 0.085 63.298 63.200 0.023 0.000 0.814 44 S HN 0.670 nan 8.310 nan 0.000 0.477 45 E N 0.353 120.568 120.200 0.025 0.000 2.248 45 E HA 0.544 4.894 4.350 -0.000 0.000 0.267 45 E C -1.735 174.865 176.600 -0.001 0.000 0.877 45 E CA -0.439 55.969 56.400 0.013 0.000 0.759 45 E CB 1.762 31.470 29.700 0.013 0.000 1.182 45 E HN -0.116 nan 8.360 nan 0.000 0.418 46 V N 5.626 125.532 119.914 -0.012 0.000 2.531 46 V HA 0.449 4.569 4.120 -0.000 0.000 0.301 46 V C -0.457 175.596 176.094 -0.068 0.000 1.034 46 V CA -0.616 61.664 62.300 -0.033 0.000 0.865 46 V CB 1.466 33.282 31.823 -0.013 0.000 0.995 46 V HN 0.650 nan 8.190 nan 0.000 0.424 47 I N 3.518 124.007 120.570 -0.135 0.000 2.362 47 I HA 0.368 4.537 4.170 -0.000 0.000 0.289 47 I C -0.534 175.475 176.117 -0.179 0.000 0.994 47 I CA -0.446 60.713 61.300 -0.235 0.000 1.158 47 I CB 1.743 39.433 38.000 -0.517 0.000 1.315 47 I HN 0.522 nan 8.210 nan 0.000 0.451 48 D N 5.473 125.806 120.400 -0.111 0.000 2.365 48 D HA 0.303 4.942 4.640 -0.000 0.000 0.237 48 D C 0.853 177.115 176.300 -0.064 0.000 1.190 48 D CA -0.166 53.798 54.000 -0.060 0.000 0.867 48 D CB 1.758 42.555 40.800 -0.005 0.000 1.050 48 D HN 0.641 nan 8.370 nan 0.000 0.491 49 A N 3.996 126.767 122.820 -0.081 0.000 2.119 49 A HA -0.033 4.287 4.320 -0.000 0.000 0.217 49 A C 0.888 178.468 177.584 -0.008 0.000 1.153 49 A CA 0.598 52.595 52.037 -0.067 0.000 0.692 49 A CB -0.475 18.482 19.000 -0.073 0.000 0.799 49 A HN 0.805 nan 8.150 nan 0.000 0.458 50 E N -2.873 117.335 120.200 0.012 0.000 2.476 50 E HA -0.251 4.099 4.350 -0.000 0.000 0.251 50 E C 0.832 177.449 176.600 0.027 0.000 1.130 50 E CA 0.395 56.825 56.400 0.050 0.000 0.736 50 E CB -2.083 27.697 29.700 0.132 0.000 1.298 50 E HN 1.522 nan 8.360 nan 0.000 0.400 51 G N -1.526 107.263 108.800 -0.018 0.000 2.176 51 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.253 51 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.253 51 G C 0.444 175.267 174.900 -0.129 0.000 0.979 51 G CA 0.327 45.390 45.100 -0.061 0.000 0.641 51 G HN 0.982 nan 8.290 nan 0.000 0.530 52 A N -0.310 122.465 122.820 -0.076 0.000 2.346 52 A HA 0.696 5.015 4.320 -0.000 0.000 0.252 52 A C 0.290 177.825 177.584 -0.082 0.000 1.089 52 A CA -0.187 51.806 52.037 -0.074 0.000 0.797 52 A CB 0.242 19.275 19.000 0.055 0.000 1.047 52 A HN 0.643 nan 8.150 nan 0.000 0.494 53 F N -0.335 119.704 119.950 0.147 0.000 2.471 53 F HA 0.340 4.867 4.527 -0.000 0.000 0.353 53 F C 0.421 176.341 175.800 0.201 0.000 1.113 53 F CA 0.462 58.535 58.000 0.121 0.000 1.262 53 F CB 0.623 39.670 39.000 0.078 0.000 1.146 53 F HN 0.242 nan 8.300 nan 0.000 0.578 54 I N 2.478 123.237 120.570 0.315 0.000 2.362 54 I HA 0.291 4.461 4.170 -0.000 0.000 0.289 54 I C -0.046 176.195 176.117 0.208 0.000 0.994 54 I CA -0.503 60.929 61.300 0.220 0.000 1.158 54 I CB 1.533 39.571 38.000 0.062 0.000 1.315 54 I HN 0.592 nan 8.210 nan 0.000 0.451 55 T N 3.236 117.953 114.554 0.273 0.000 2.950 55 T HA 0.617 4.967 4.350 -0.000 0.000 0.288 55 T C -2.749 172.027 174.700 0.127 0.000 1.035 55 T CA -2.491 59.729 62.100 0.199 0.000 1.028 55 T CB 1.817 70.870 68.868 0.309 0.000 1.109 55 T HN 0.121 nan 8.240 nan 0.000 0.514 56 P HA 0.294 nan 4.420 nan 0.000 0.270 56 P C 0.548 177.889 177.300 0.069 0.000 1.223 56 P CA -0.066 63.073 63.100 0.065 0.000 0.785 56 P CB 0.017 31.756 31.700 0.065 0.000 0.923 57 G N 1.206 110.026 108.800 0.033 0.000 2.491 57 G HA2 0.360 4.320 3.960 -0.000 0.000 0.238 57 G HA3 0.360 4.320 3.960 -0.000 0.000 0.238 57 G C 0.479 175.398 174.900 0.031 0.000 1.277 57 G CA -0.098 45.010 45.100 0.012 0.000 0.851 57 G HN 0.609 nan 8.290 nan 0.000 0.573 58 G N -0.415 108.399 108.800 0.024 0.000 2.491 58 G HA2 0.406 4.366 3.960 -0.000 0.000 0.238 58 G HA3 0.406 4.366 3.960 -0.000 0.000 0.238 58 G C -0.149 174.765 174.900 0.022 0.000 1.277 58 G CA -0.481 44.640 45.100 0.036 0.000 0.851 58 G HN 0.632 nan 8.290 nan 0.000 0.573 59 I N 1.544 122.138 120.570 0.040 0.000 2.411 59 I HA 0.149 4.319 4.170 -0.000 0.000 0.284 59 I C -0.982 175.166 176.117 0.052 0.000 1.012 59 I CA -0.681 60.642 61.300 0.037 0.000 1.119 59 I CB 1.912 39.945 38.000 0.054 0.000 1.261 59 I HN 0.304 nan 8.210 nan 0.000 0.448 60 D N 5.742 126.160 120.400 0.030 0.000 2.396 60 D HA 0.386 5.026 4.640 -0.000 0.000 0.225 60 D C 0.517 176.842 176.300 0.041 0.000 1.121 60 D CA -0.191 53.841 54.000 0.054 0.000 0.853 60 D CB 1.808 42.629 40.800 0.035 0.000 1.043 60 D HN 0.627 nan 8.370 nan 0.000 0.500 61 A N 3.702 126.574 122.820 0.087 0.000 2.415 61 A HA 0.047 4.367 4.320 -0.000 0.000 0.248 61 A C 0.473 178.110 177.584 0.088 0.000 1.299 61 A CA -0.049 51.988 52.037 -0.001 0.000 0.899 61 A CB -0.332 18.658 19.000 -0.017 0.000 0.997 61 A HN 0.690 nan 8.150 nan 0.000 0.506 62 H N -0.610 118.523 119.070 0.106 0.000 2.429 62 H HA 0.506 5.062 4.556 -0.000 0.000 0.231 62 H C -1.691 173.766 175.328 0.216 0.000 1.416 62 H CA -0.292 55.900 56.048 0.241 0.000 1.443 62 H CB 0.692 30.626 29.762 0.286 0.000 1.591 62 H HN 0.053 nan 8.280 nan 0.000 0.507 63 V N 3.254 123.338 119.914 0.283 0.000 2.604 63 V HA 0.255 4.375 4.120 -0.000 0.000 0.305 63 V C -0.339 175.861 176.094 0.177 0.000 1.043 63 V CA -0.854 61.588 62.300 0.236 0.000 0.888 63 V CB 1.730 33.605 31.823 0.088 0.000 0.995 63 V HN 0.665 nan 8.190 nan 0.000 0.429 64 H N 2.932 122.273 119.070 0.452 0.000 2.511 64 H HA 0.661 5.217 4.556 -0.000 0.000 0.328 64 H C -0.752 174.719 175.328 0.238 0.000 1.044 64 H CA -0.266 55.995 56.048 0.356 0.000 1.212 64 H CB 2.256 32.166 29.762 0.247 0.000 1.428 64 H HN 0.378 nan 8.280 nan 0.000 0.483 65 V N 2.321 122.406 119.914 0.285 0.000 2.960 65 V HA 0.018 4.138 4.120 -0.000 0.000 0.315 65 V C 0.036 176.238 176.094 0.180 0.000 1.087 65 V CA -0.895 61.497 62.300 0.153 0.000 0.982 65 V CB 2.690 34.492 31.823 -0.035 0.000 1.039 65 V HN 0.740 nan 8.190 nan 0.000 0.437 66 D N 2.042 122.528 120.400 0.143 0.000 2.458 66 D HA 0.318 4.958 4.640 -0.000 0.000 0.243 66 D C -0.344 176.105 176.300 0.250 0.000 1.146 66 D CA 0.432 54.531 54.000 0.166 0.000 0.877 66 D CB 0.606 41.491 40.800 0.142 0.000 1.176 66 D HN 0.703 nan 8.370 nan 0.000 0.461 67 E N 2.054 122.375 120.200 0.201 0.000 2.393 67 E HA 0.445 4.795 4.350 -0.000 0.000 0.273 67 E C -2.413 174.239 176.600 0.087 0.000 0.918 67 E CA -1.637 54.867 56.400 0.173 0.000 0.773 67 E CB 1.171 30.995 29.700 0.207 0.000 1.275 67 E HN 0.050 nan 8.360 nan 0.000 0.451 68 P HA -0.100 nan 4.420 nan 0.000 0.218 68 P C 0.729 178.048 177.300 0.032 0.000 1.148 68 P CA 1.113 64.221 63.100 0.013 0.000 0.822 68 P CB 0.187 31.869 31.700 -0.031 0.000 0.784 69 L N -1.398 119.854 121.223 0.048 0.000 2.554 69 L HA 0.072 4.412 4.340 -0.000 0.000 0.226 69 L C 0.456 177.356 176.870 0.049 0.000 1.137 69 L CA 0.286 55.159 54.840 0.056 0.000 0.863 69 L CB -0.560 41.549 42.059 0.084 0.000 0.985 69 L HN -0.030 nan 8.230 nan 0.000 0.451 70 K N 0.048 120.482 120.400 0.056 0.000 3.096 70 K HA -0.227 4.093 4.320 -0.000 0.000 0.266 70 K C 1.062 177.670 176.600 0.013 0.000 1.043 70 K CA 0.368 56.683 56.287 0.047 0.000 0.758 70 K CB -1.778 30.744 32.500 0.038 0.000 1.260 70 K HN 0.198 nan 8.250 nan 0.000 0.481 71 L N 0.125 121.351 121.223 0.004 0.000 2.042 71 L HA -0.119 4.220 4.340 -0.000 0.000 0.210 71 L C 1.461 178.255 176.870 -0.127 0.000 1.076 71 L CA 1.934 56.722 54.840 -0.087 0.000 0.749 71 L CB -0.037 41.975 42.059 -0.079 0.000 0.893 71 L HN 0.437 nan 8.230 nan 0.000 0.432 72 L N -0.014 121.177 121.223 -0.054 0.000 2.978 72 L HA 0.432 4.772 4.340 -0.000 0.000 0.239 72 L C 1.048 177.961 176.870 0.072 0.000 1.293 72 L CA -0.106 54.712 54.840 -0.036 0.000 1.085 72 L CB -0.907 41.143 42.059 -0.014 0.000 1.432 72 L HN 0.425 nan 8.230 nan 0.000 0.512 73 G N 0.109 108.928 108.800 0.031 0.000 2.601 73 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.261 73 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.261 73 G C -0.370 174.603 174.900 0.122 0.000 1.289 73 G CA -0.549 44.590 45.100 0.064 0.000 0.920 73 G HN 0.313 nan 8.290 nan 0.000 0.571 74 D N 0.332 120.816 120.400 0.140 0.000 2.348 74 D HA 0.424 5.064 4.640 -0.000 0.000 0.253 74 D C 0.439 176.859 176.300 0.200 0.000 1.161 74 D CA 0.161 54.248 54.000 0.145 0.000 0.876 74 D CB 1.452 42.320 40.800 0.113 0.000 1.160 74 D HN 0.353 nan 8.370 nan 0.000 0.459 75 V N 3.011 122.980 119.914 0.091 0.000 2.547 75 V HA 0.056 4.176 4.120 -0.000 0.000 0.299 75 V C 1.615 177.688 176.094 -0.036 0.000 1.040 75 V CA -0.638 61.614 62.300 -0.080 0.000 0.913 75 V CB 1.812 33.586 31.823 -0.082 0.000 0.992 75 V HN 0.469 nan 8.190 nan 0.000 0.449 76 V N -0.098 119.751 119.914 -0.109 0.000 2.667 76 V HA 0.053 4.173 4.120 -0.000 0.000 0.252 76 V C 0.565 176.659 176.094 0.000 0.000 1.065 76 V CA 1.144 63.414 62.300 -0.050 0.000 1.083 76 V CB -0.305 31.463 31.823 -0.092 0.000 0.692 76 V HN 0.795 nan 8.190 nan 0.000 0.468 77 D N 2.316 122.735 120.400 0.032 0.000 2.225 77 D HA 0.454 5.094 4.640 -0.000 0.000 0.248 77 D C 0.676 177.107 176.300 0.219 0.000 1.096 77 D CA 0.579 54.698 54.000 0.197 0.000 0.863 77 D CB 1.732 42.662 40.800 0.216 0.000 1.156 77 D HN 0.673 nan 8.370 nan 0.000 0.450 78 T N -0.802 113.937 114.554 0.309 0.000 2.810 78 T HA 0.133 4.483 4.350 -0.000 0.000 0.277 78 T C 1.311 175.904 174.700 -0.179 0.000 0.973 78 T CA -0.616 61.478 62.100 -0.010 0.000 0.949 78 T CB 0.695 69.453 68.868 -0.182 0.000 1.075 78 T HN 0.116 nan 8.240 nan 0.000 0.537 79 M N 0.255 119.598 119.600 -0.430 0.000 2.159 79 M HA 0.008 4.488 4.480 -0.000 0.000 0.263 79 M C 2.236 178.360 176.300 -0.293 0.000 1.063 79 M CA 1.621 56.573 55.300 -0.579 0.000 1.110 79 M CB -1.283 30.610 32.600 -1.178 0.000 1.374 79 M HN 0.931 nan 8.290 nan 0.000 0.411 80 E N -1.064 118.989 120.200 -0.244 0.000 2.049 80 E HA -0.282 4.068 4.350 -0.000 0.000 0.198 80 E C 1.857 178.446 176.600 -0.019 0.000 1.007 80 E CA 2.187 58.528 56.400 -0.097 0.000 0.809 80 E CB -0.279 29.311 29.700 -0.183 0.000 0.749 80 E HN 0.757 nan 8.360 nan 0.000 0.450 81 H N -0.577 118.507 119.070 0.024 0.000 2.353 81 H HA -0.048 4.508 4.556 -0.000 0.000 0.300 81 H C 2.051 177.355 175.328 -0.040 0.000 1.090 81 H CA 1.011 57.061 56.048 0.003 0.000 1.327 81 H CB -0.074 29.704 29.762 0.026 0.000 1.383 81 H HN 0.315 nan 8.280 nan 0.000 0.508 82 A N 0.628 123.475 122.820 0.046 0.000 1.930 82 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 82 A C 2.490 179.996 177.584 -0.130 0.000 1.175 82 A CA 1.872 53.858 52.037 -0.084 0.000 0.627 82 A CB -0.952 17.977 19.000 -0.119 0.000 0.815 82 A HN 0.592 nan 8.150 nan 0.000 0.443 83 T N -2.466 112.042 114.554 -0.077 0.000 2.857 83 T HA -0.106 4.244 4.350 -0.000 0.000 0.266 83 T C 1.995 176.646 174.700 -0.081 0.000 1.048 83 T CA 1.151 63.234 62.100 -0.030 0.000 1.139 83 T CB -0.313 68.600 68.868 0.075 0.000 0.874 83 T HN 0.459 nan 8.240 nan 0.000 0.455 84 R N 0.669 121.026 120.500 -0.239 0.000 2.073 84 R HA -0.070 4.269 4.340 -0.000 0.000 0.234 84 R C 2.817 178.910 176.300 -0.344 0.000 1.134 84 R CA 1.616 57.329 56.100 -0.646 0.000 0.952 84 R CB -0.650 29.137 30.300 -0.855 0.000 0.850 84 R HN 0.439 nan 8.270 nan 0.000 0.433 85 S N -0.297 115.279 115.700 -0.205 0.000 2.356 85 S HA -0.118 4.352 4.470 -0.000 0.000 0.223 85 S C 1.933 176.415 174.600 -0.198 0.000 1.032 85 S CA 1.181 59.285 58.200 -0.161 0.000 1.005 85 S CB -0.221 62.941 63.200 -0.063 0.000 0.867 85 S HN 0.530 nan 8.310 nan 0.000 0.449 86 A N 0.840 123.542 122.820 -0.196 0.000 1.873 86 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 86 A C 2.321 179.773 177.584 -0.220 0.000 1.193 86 A CA 2.069 53.995 52.037 -0.185 0.000 0.629 86 A CB -1.176 17.736 19.000 -0.145 0.000 0.826 86 A HN 0.446 nan 8.150 nan 0.000 0.447 87 V N -0.269 119.516 119.914 -0.215 0.000 2.427 87 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 87 V C 2.958 178.756 176.094 -0.494 0.000 1.051 87 V CA 1.750 63.908 62.300 -0.236 0.000 1.048 87 V CB -1.110 30.654 31.823 -0.098 0.000 0.666 87 V HN 0.627 nan 8.190 nan 0.000 0.456 88 A N 0.084 122.527 122.820 -0.629 0.000 2.125 88 A HA 0.025 4.345 4.320 -0.000 0.000 0.219 88 A C 1.993 179.151 177.584 -0.709 0.000 1.156 88 A CA 1.582 52.940 52.037 -1.131 0.000 0.671 88 A CB -0.495 18.163 19.000 -0.570 0.000 0.794 88 A HN 0.590 nan 8.150 nan 0.000 0.459 89 G N -2.596 105.892 108.800 -0.520 0.000 3.651 89 G HA2 0.425 4.384 3.960 -0.000 0.000 0.279 89 G HA3 0.425 4.384 3.960 -0.000 0.000 0.279 89 G C 0.933 175.490 174.900 -0.572 0.000 1.024 89 G CA 0.381 45.099 45.100 -0.636 0.000 0.813 89 G HN 1.465 nan 8.290 nan 0.000 0.518 90 G N -0.187 108.317 108.800 -0.494 0.000 2.143 90 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.249 90 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.249 90 G C 0.302 175.078 174.900 -0.206 0.000 0.981 90 G CA 0.412 45.275 45.100 -0.395 0.000 0.665 90 G HN 0.595 nan 8.290 nan 0.000 0.528 91 T N 0.812 115.260 114.554 -0.177 0.000 2.799 91 T HA 0.541 4.891 4.350 -0.000 0.000 0.286 91 T C 1.384 176.035 174.700 -0.082 0.000 0.973 91 T CA 0.545 62.587 62.100 -0.097 0.000 1.035 91 T CB 1.368 70.184 68.868 -0.086 0.000 0.932 91 T HN 0.627 nan 8.240 nan 0.000 0.469 92 T N -0.865 113.662 114.554 -0.045 0.000 3.040 92 T HA 0.271 4.620 4.350 -0.000 0.000 0.266 92 T C 0.405 175.096 174.700 -0.015 0.000 1.005 92 T CA -0.261 61.823 62.100 -0.027 0.000 0.906 92 T CB 0.366 69.222 68.868 -0.019 0.000 1.082 92 T HN 0.498 nan 8.240 nan 0.000 0.531 93 T N 2.359 116.901 114.554 -0.019 0.000 3.071 93 T HA 0.610 4.959 4.350 -0.000 0.000 0.311 93 T C -0.772 173.910 174.700 -0.030 0.000 1.042 93 T CA -0.727 61.360 62.100 -0.022 0.000 1.028 93 T CB 2.155 71.005 68.868 -0.028 0.000 1.068 93 T HN 0.403 nan 8.240 nan 0.000 0.451 94 V N 0.705 120.601 119.914 -0.029 0.000 2.667 94 V HA 0.956 5.075 4.120 -0.000 0.000 0.308 94 V C -0.638 175.400 176.094 -0.093 0.000 1.048 94 V CA -0.867 61.402 62.300 -0.051 0.000 0.928 94 V CB 1.810 33.599 31.823 -0.055 0.000 1.004 94 V HN 0.625 nan 8.190 nan 0.000 0.444 95 V N 3.919 123.720 119.914 -0.187 0.000 2.378 95 V HA 0.850 4.970 4.120 -0.000 0.000 0.288 95 V C 0.652 176.473 176.094 -0.455 0.000 1.016 95 V CA 0.393 62.451 62.300 -0.403 0.000 0.840 95 V CB 0.522 31.897 31.823 -0.746 0.000 0.994 95 V HN 1.406 nan 8.190 nan 0.000 0.431 96 A N 4.585 127.200 122.820 -0.341 0.000 2.806 96 A HA 0.987 5.307 4.320 -0.000 0.000 0.254 96 A C -0.986 176.302 177.584 -0.494 0.000 1.437 96 A CA -0.434 51.439 52.037 -0.274 0.000 0.903 96 A CB 0.811 19.830 19.000 0.030 0.000 1.609 96 A HN 0.577 nan 8.150 nan 0.000 0.505 97 F N -0.517 119.514 119.950 0.135 0.000 2.529 97 F HA 0.518 5.045 4.527 -0.000 0.000 0.320 97 F C 0.512 176.441 175.800 0.216 0.000 1.118 97 F CA -0.293 57.825 58.000 0.196 0.000 0.915 97 F CB 2.291 41.435 39.000 0.241 0.000 1.161 97 F HN 0.363 nan 8.300 nan 0.000 0.445 98 S N 1.915 117.824 115.700 0.348 0.000 2.438 98 S HA 0.425 4.895 4.470 -0.000 0.000 0.293 98 S C -0.354 174.418 174.600 0.287 0.000 1.141 98 S CA -0.446 57.903 58.200 0.248 0.000 1.080 98 S CB 0.406 63.692 63.200 0.144 0.000 0.978 98 S HN 0.599 nan 8.310 nan 0.000 0.479 99 T N 5.289 119.996 114.554 0.255 0.000 2.761 99 T HA 0.167 4.517 4.350 -0.000 0.000 0.296 99 T C 0.216 175.071 174.700 0.258 0.000 0.934 99 T CA -0.158 62.118 62.100 0.294 0.000 1.091 99 T CB 0.744 69.758 68.868 0.244 0.000 0.896 99 T HN 0.776 nan 8.240 nan 0.000 0.515 100 Q N 2.864 122.839 119.800 0.292 0.000 2.308 100 Q HA -0.087 4.253 4.340 -0.000 0.000 0.313 100 Q C -0.406 175.652 176.000 0.097 0.000 1.075 100 Q CA 0.143 56.010 55.803 0.106 0.000 0.995 100 Q CB 0.351 29.015 28.738 -0.123 0.000 1.107 100 Q HN 0.497 nan 8.270 nan 0.000 0.380 101 D N 4.142 124.571 120.400 0.049 0.000 2.456 101 D HA 0.056 4.696 4.640 -0.000 0.000 0.219 101 D C 0.894 177.194 176.300 0.001 0.000 1.126 101 D CA -0.337 53.694 54.000 0.051 0.000 0.890 101 D CB 1.037 41.860 40.800 0.038 0.000 1.025 101 D HN 0.471 nan 8.370 nan 0.000 0.511 102 V N 2.074 121.984 119.914 -0.008 0.000 3.305 102 V HA -0.108 4.012 4.120 -0.000 0.000 0.269 102 V C 1.798 177.890 176.094 -0.002 0.000 1.157 102 V CA 1.541 63.815 62.300 -0.044 0.000 1.157 102 V CB -0.809 30.980 31.823 -0.057 0.000 0.772 102 V HN 0.471 nan 8.190 nan 0.000 0.498 103 S N -0.400 115.311 115.700 0.018 0.000 2.436 103 S HA 0.038 4.508 4.470 -0.000 0.000 0.228 103 S C 1.060 175.666 174.600 0.011 0.000 1.014 103 S CA 0.116 58.327 58.200 0.018 0.000 0.950 103 S CB -0.387 62.828 63.200 0.025 0.000 0.784 103 S HN 0.605 nan 8.310 nan 0.000 0.504 104 K N 2.047 122.452 120.400 0.009 0.000 2.270 104 K HA 0.453 4.773 4.320 -0.000 0.000 0.276 104 K C -0.026 176.576 176.600 0.003 0.000 1.023 104 K CA -0.029 56.264 56.287 0.009 0.000 0.955 104 K CB 0.622 33.130 32.500 0.013 0.000 0.975 104 K HN 0.234 nan 8.250 nan 0.000 0.471 105 K N 0.019 120.423 120.400 0.007 0.000 2.378 105 K HA 0.627 4.947 4.320 -0.000 0.000 0.244 105 K C 0.119 176.725 176.600 0.011 0.000 1.039 105 K CA -0.538 55.752 56.287 0.006 0.000 0.863 105 K CB 1.956 34.460 32.500 0.005 0.000 1.326 105 K HN 0.778 nan 8.250 nan 0.000 0.460 106 G N 0.729 109.535 108.800 0.010 0.000 2.796 106 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.571 106 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.571 106 G C -2.205 172.706 174.900 0.019 0.000 1.370 106 G CA -0.640 44.469 45.100 0.014 0.000 0.856 106 G HN 0.347 nan 8.290 nan 0.000 0.538 107 P HA -0.052 nan 4.420 nan 0.000 0.219 107 P C 1.861 179.185 177.300 0.040 0.000 1.146 107 P CA 2.382 65.499 63.100 0.028 0.000 0.808 107 P CB -0.057 31.659 31.700 0.026 0.000 0.779 108 S N -2.082 113.643 115.700 0.041 0.000 2.556 108 S HA 0.324 4.794 4.470 -0.000 0.000 0.216 108 S C 1.824 176.461 174.600 0.061 0.000 0.970 108 S CA 0.257 58.491 58.200 0.057 0.000 0.912 108 S CB -0.703 62.528 63.200 0.052 0.000 0.790 108 S HN 0.063 nan 8.310 nan 0.000 0.504 109 A N 2.295 125.140 122.820 0.043 0.000 1.940 109 A HA 0.110 4.430 4.320 -0.000 0.000 0.219 109 A C 2.101 179.709 177.584 0.041 0.000 1.176 109 A CA 1.263 53.320 52.037 0.032 0.000 0.631 109 A CB -0.651 18.357 19.000 0.014 0.000 0.814 109 A HN 0.577 nan 8.150 nan 0.000 0.446 110 L N -1.535 119.724 121.223 0.059 0.000 2.249 110 L HA 0.026 4.365 4.340 -0.000 0.000 0.207 110 L C 2.993 179.926 176.870 0.105 0.000 1.090 110 L CA 0.673 55.559 54.840 0.077 0.000 0.802 110 L CB -0.503 41.609 42.059 0.089 0.000 0.947 110 L HN 0.389 nan 8.230 nan 0.000 0.453 111 A N 0.069 122.977 122.820 0.147 0.000 1.902 111 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 111 A C 2.177 179.853 177.584 0.153 0.000 1.181 111 A CA 1.382 53.566 52.037 0.244 0.000 0.623 111 A CB -0.306 18.858 19.000 0.275 0.000 0.818 111 A HN 0.313 nan 8.150 nan 0.000 0.443 112 E N 0.302 120.561 120.200 0.099 0.000 2.153 112 E HA -0.112 4.237 4.350 -0.000 0.000 0.194 112 E C 2.293 178.876 176.600 -0.028 0.000 0.988 112 E CA 1.288 57.711 56.400 0.038 0.000 0.811 112 E CB -0.380 29.344 29.700 0.039 0.000 0.746 112 E HN 0.584 nan 8.360 nan 0.000 0.466 113 S N 0.461 116.153 115.700 -0.014 0.000 2.383 113 S HA -0.096 4.374 4.470 -0.000 0.000 0.227 113 S C 2.238 176.783 174.600 -0.091 0.000 1.026 113 S CA 0.963 59.151 58.200 -0.019 0.000 0.981 113 S CB -0.074 63.148 63.200 0.035 0.000 0.818 113 S HN 0.071 nan 8.310 nan 0.000 0.472 114 V N 1.946 121.753 119.914 -0.178 0.000 2.453 114 V HA -0.098 4.021 4.120 -0.000 0.000 0.247 114 V C 2.328 178.047 176.094 -0.624 0.000 1.048 114 V CA 1.405 63.484 62.300 -0.369 0.000 1.049 114 V CB -0.547 31.015 31.823 -0.435 0.000 0.672 114 V HN 0.417 nan 8.190 nan 0.000 0.457 115 K N 0.244 120.253 120.400 -0.652 0.000 2.113 115 K HA -0.207 4.113 4.320 -0.000 0.000 0.208 115 K C 2.104 178.524 176.600 -0.300 0.000 1.047 115 K CA 1.648 57.639 56.287 -0.492 0.000 0.928 115 K CB -0.260 32.154 32.500 -0.144 0.000 0.716 115 K HN 0.413 nan 8.250 nan 0.000 0.446 116 L N 0.894 121.980 121.223 -0.228 0.000 2.042 116 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 116 L C 2.084 178.781 176.870 -0.289 0.000 1.076 116 L CA 1.376 56.104 54.840 -0.187 0.000 0.749 116 L CB -0.412 41.577 42.059 -0.118 0.000 0.893 116 L HN 0.259 nan 8.230 nan 0.000 0.432 117 D N -0.492 119.699 120.400 -0.348 0.000 2.120 117 D HA -0.108 4.532 4.640 -0.000 0.000 0.202 117 D C 2.363 178.280 176.300 -0.638 0.000 0.972 117 D CA 1.136 54.791 54.000 -0.575 0.000 0.837 117 D CB -0.158 40.487 40.800 -0.258 0.000 0.989 117 D HN 0.141 nan 8.370 nan 0.000 0.469 118 V N 2.080 121.765 119.914 -0.383 0.000 2.332 118 V HA -0.226 3.893 4.120 -0.000 0.000 0.248 118 V C 1.962 177.968 176.094 -0.146 0.000 1.055 118 V CA 1.799 63.954 62.300 -0.242 0.000 1.038 118 V CB -0.463 31.070 31.823 -0.482 0.000 0.651 118 V HN 0.015 nan 8.190 nan 0.000 0.450 119 D N -0.348 119.938 120.400 -0.189 0.000 2.117 119 D HA -0.179 4.461 4.640 -0.000 0.000 0.197 119 D C 2.180 178.404 176.300 -0.126 0.000 0.987 119 D CA 1.609 55.541 54.000 -0.114 0.000 0.829 119 D CB -0.163 40.577 40.800 -0.100 0.000 0.961 119 D HN 0.658 nan 8.370 nan 0.000 0.460 120 E N -0.325 119.724 120.200 -0.251 0.000 2.051 120 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 120 E C 1.798 178.336 176.600 -0.105 0.000 0.991 120 E CA 1.090 57.348 56.400 -0.238 0.000 0.799 120 E CB -0.269 29.196 29.700 -0.391 0.000 0.748 120 E HN 0.488 nan 8.360 nan 0.000 0.449 121 Y N 0.314 120.581 120.300 -0.055 0.000 2.457 121 Y HA -0.032 4.518 4.550 -0.001 0.000 0.292 121 Y C 2.599 178.481 175.900 -0.030 0.000 1.125 121 Y CA 0.199 58.240 58.100 -0.098 0.000 1.254 121 Y CB 0.088 38.389 38.460 -0.265 0.000 1.012 121 Y HN 0.183 nan 8.280 nan 0.000 0.555 122 S N -0.241 115.538 115.700 0.131 0.000 2.507 122 S HA -0.122 4.348 4.470 -0.000 0.000 0.235 122 S C 1.245 175.884 174.600 0.064 0.000 0.988 122 S CA 0.913 59.180 58.200 0.111 0.000 0.944 122 S CB -0.091 63.159 63.200 0.084 0.000 0.762 122 S HN 0.326 nan 8.310 nan 0.000 0.526 123 E N 1.063 121.292 120.200 0.049 0.000 2.474 123 E HA 0.224 4.574 4.350 -0.000 0.000 0.195 123 E C 0.221 176.833 176.600 0.019 0.000 1.039 123 E CA 0.171 56.587 56.400 0.027 0.000 0.881 123 E CB 0.182 29.892 29.700 0.018 0.000 0.970 123 E HN 0.767 nan 8.360 nan 0.000 0.486 124 Q N 0.149 119.963 119.800 0.024 0.000 2.215 124 Q HA 0.349 4.689 4.340 -0.000 0.000 0.256 124 Q C -0.340 175.635 176.000 -0.041 0.000 0.972 124 Q CA -0.401 55.394 55.803 -0.012 0.000 0.889 124 Q CB 1.212 29.934 28.738 -0.026 0.000 1.281 124 Q HN -0.192 nan 8.270 nan 0.000 0.456 125 T N 2.223 116.731 114.554 -0.075 0.000 2.752 125 T HA 0.266 4.616 4.350 -0.000 0.000 0.295 125 T C -0.243 174.334 174.700 -0.206 0.000 0.923 125 T CA -0.093 61.909 62.100 -0.163 0.000 1.112 125 T CB -0.063 68.677 68.868 -0.214 0.000 0.884 125 T HN 0.226 nan 8.240 nan 0.000 0.525 126 L N 4.002 125.105 121.223 -0.200 0.000 2.296 126 L HA 0.371 4.711 4.340 -0.000 0.000 0.286 126 L C 0.263 177.031 176.870 -0.169 0.000 1.023 126 L CA -0.821 53.954 54.840 -0.108 0.000 0.812 126 L CB 1.300 43.358 42.059 -0.003 0.000 1.223 126 L HN 0.738 nan 8.230 nan 0.000 0.421 127 Y N 1.525 121.815 120.300 -0.018 0.000 2.490 127 Y HA 0.030 4.580 4.550 -0.000 0.000 0.285 127 Y C 1.117 177.014 175.900 -0.005 0.000 1.117 127 Y CA -0.228 57.867 58.100 -0.007 0.000 1.262 127 Y CB 0.425 38.877 38.460 -0.014 0.000 1.043 127 Y HN 0.705 nan 8.280 nan 0.000 0.553 128 C N -2.748 116.629 119.300 0.129 0.000 3.332 128 C HA 0.519 4.978 4.460 -0.000 0.000 0.329 128 C C -0.901 174.138 174.990 0.081 0.000 1.434 128 C CA -1.495 57.568 59.018 0.075 0.000 1.314 128 C CB 1.172 28.942 27.740 0.049 0.000 1.664 128 C HN -0.007 nan 8.230 nan 0.000 0.457 129 D N 0.868 121.299 120.400 0.053 0.000 2.362 129 D HA 0.489 5.129 4.640 -0.000 0.000 0.242 129 D C -0.628 175.731 176.300 0.098 0.000 1.132 129 D CA 0.670 54.703 54.000 0.055 0.000 0.907 129 D CB 0.604 41.382 40.800 -0.037 0.000 1.195 129 D HN 0.809 nan 8.370 nan 0.000 0.429 130 Y N -1.994 118.261 120.300 -0.074 0.000 2.492 130 Y HA 0.677 5.226 4.550 -0.000 0.000 0.346 130 Y C -0.276 175.531 175.900 -0.155 0.000 0.997 130 Y CA -1.114 56.931 58.100 -0.092 0.000 1.025 130 Y CB 1.341 39.774 38.460 -0.045 0.000 1.263 130 Y HN 0.333 nan 8.280 nan 0.000 0.454 131 G N 2.841 111.460 108.800 -0.301 0.000 2.735 131 G HA2 0.719 4.679 3.960 -0.000 0.000 0.301 131 G HA3 0.719 4.679 3.960 -0.000 0.000 0.301 131 G C -1.947 172.841 174.900 -0.187 0.000 1.279 131 G CA -1.300 43.539 45.100 -0.434 0.000 1.019 131 G HN 0.766 nan 8.290 nan 0.000 0.497 132 L N 0.666 121.803 121.223 -0.142 0.000 2.410 132 L HA 0.397 4.737 4.340 -0.000 0.000 0.270 132 L C -0.568 176.129 176.870 -0.289 0.000 0.983 132 L CA -1.107 53.655 54.840 -0.130 0.000 0.822 132 L CB 2.305 44.458 42.059 0.157 0.000 1.285 132 L HN 0.491 nan 8.230 nan 0.000 0.409 133 H N 2.644 121.556 119.070 -0.263 0.000 2.505 133 H HA 0.347 4.903 4.556 -0.000 0.000 0.351 133 H C -0.664 174.721 175.328 0.095 0.000 1.151 133 H CA -0.637 55.321 56.048 -0.149 0.000 1.339 133 H CB 2.362 31.930 29.762 -0.325 0.000 1.483 133 H HN 0.207 nan 8.280 nan 0.000 0.558 134 L N 2.604 124.026 121.223 0.332 0.000 2.295 134 L HA 0.313 4.653 4.340 -0.000 0.000 0.285 134 L C -0.363 176.736 176.870 0.380 0.000 1.035 134 L CA -0.217 54.819 54.840 0.326 0.000 0.806 134 L CB 0.394 42.630 42.059 0.295 0.000 1.214 134 L HN 0.441 nan 8.230 nan 0.000 0.426 135 I N 5.574 126.389 120.570 0.409 0.000 2.331 135 I HA 0.237 4.407 4.170 -0.000 0.000 0.292 135 I C -0.854 175.496 176.117 0.388 0.000 0.998 135 I CA -0.601 60.965 61.300 0.443 0.000 1.267 135 I CB 1.302 39.617 38.000 0.523 0.000 1.386 135 I HN 0.364 nan 8.210 nan 0.000 0.476 136 L N 7.408 128.842 121.223 0.352 0.000 2.305 136 L HA 0.357 4.696 4.340 -0.000 0.000 0.284 136 L C 0.006 177.078 176.870 0.338 0.000 1.013 136 L CA 0.083 55.060 54.840 0.228 0.000 0.819 136 L CB 1.145 43.289 42.059 0.142 0.000 1.227 136 L HN 0.575 nan 8.230 nan 0.000 0.417 137 F N -0.123 119.917 119.950 0.150 0.000 2.817 137 F HA 0.441 4.967 4.527 -0.000 0.000 0.333 137 F C 0.389 176.247 175.800 0.097 0.000 1.085 137 F CA -0.487 57.591 58.000 0.131 0.000 1.170 137 F CB 0.251 39.305 39.000 0.091 0.000 1.066 137 F HN 0.370 nan 8.300 nan 0.000 0.564 138 Q N 2.620 122.246 119.800 -0.289 0.000 2.320 138 Q HA 0.449 4.789 4.340 -0.000 0.000 0.268 138 Q C -1.461 174.488 176.000 -0.085 0.000 1.023 138 Q CA -0.521 55.182 55.803 -0.167 0.000 0.744 138 Q CB 1.842 30.403 28.738 -0.295 0.000 1.246 138 Q HN 0.195 nan 8.270 nan 0.000 0.462 139 I N 3.145 123.718 120.570 0.004 0.000 2.406 139 I HA 0.319 4.488 4.170 -0.000 0.000 0.290 139 I C 0.114 176.257 176.117 0.043 0.000 0.999 139 I CA -0.853 60.462 61.300 0.026 0.000 1.124 139 I CB 1.634 39.670 38.000 0.061 0.000 1.289 139 I HN 0.512 nan 8.210 nan 0.000 0.441 140 E N 5.789 126.006 120.200 0.029 0.000 2.392 140 E HA 0.283 4.633 4.350 -0.000 0.000 0.264 140 E C -0.375 176.270 176.600 0.075 0.000 1.024 140 E CA -0.021 56.402 56.400 0.038 0.000 0.903 140 E CB 1.014 30.726 29.700 0.020 0.000 0.963 140 E HN 0.410 nan 8.360 nan 0.000 0.432 141 K N 2.361 122.813 120.400 0.088 0.000 2.375 141 K HA 0.509 4.828 4.320 -0.000 0.000 0.249 141 K C -2.333 174.318 176.600 0.085 0.000 0.942 141 K CA -1.806 54.568 56.287 0.144 0.000 0.806 141 K CB 1.222 33.813 32.500 0.153 0.000 1.227 141 K HN 0.221 nan 8.250 nan 0.000 0.430 142 P HA 0.011 nan 4.420 nan 0.000 0.272 142 P C 0.636 178.020 177.300 0.139 0.000 1.230 142 P CA -0.367 62.838 63.100 0.175 0.000 0.788 142 P CB 0.676 32.443 31.700 0.112 0.000 0.949 143 S N 0.212 116.002 115.700 0.149 0.000 2.414 143 S HA -0.244 4.225 4.470 -0.000 0.000 0.238 143 S C 1.724 176.261 174.600 -0.105 0.000 1.055 143 S CA 2.224 60.361 58.200 -0.105 0.000 1.174 143 S CB -1.640 61.395 63.200 -0.276 0.000 1.087 143 S HN 0.244 nan 8.310 nan 0.000 0.428 144 V N 2.594 122.461 119.914 -0.079 0.000 2.237 144 V HA -0.161 3.958 4.120 -0.000 0.000 0.245 144 V C 2.843 178.905 176.094 -0.054 0.000 1.046 144 V CA 2.162 64.406 62.300 -0.093 0.000 1.007 144 V CB -1.117 30.674 31.823 -0.053 0.000 0.638 144 V HN 0.520 nan 8.190 nan 0.000 0.445 145 E N 0.071 120.260 120.200 -0.017 0.000 2.169 145 E HA -0.313 4.036 4.350 -0.000 0.000 0.202 145 E C 2.156 178.751 176.600 -0.008 0.000 1.016 145 E CA 1.649 58.046 56.400 -0.004 0.000 0.817 145 E CB -0.246 29.460 29.700 0.010 0.000 0.736 145 E HN 0.620 nan 8.360 nan 0.000 0.462 146 A N 0.743 123.554 122.820 -0.014 0.000 2.072 146 A HA -0.059 4.260 4.320 -0.000 0.000 0.216 146 A C 1.869 179.439 177.584 -0.023 0.000 1.156 146 A CA 0.264 52.294 52.037 -0.012 0.000 0.701 146 A CB -0.094 18.905 19.000 -0.002 0.000 0.816 146 A HN 0.081 nan 8.150 nan 0.000 0.458 147 R N -0.076 120.392 120.500 -0.053 0.000 2.112 147 R HA -0.189 4.150 4.340 -0.000 0.000 0.242 147 R C 1.971 178.274 176.300 0.006 0.000 1.137 147 R CA 1.545 57.615 56.100 -0.051 0.000 0.944 147 R CB -0.488 29.728 30.300 -0.141 0.000 0.857 147 R HN 0.439 nan 8.270 nan 0.000 0.435 148 E N 1.139 121.343 120.200 0.006 0.000 2.048 148 E HA -0.214 4.136 4.350 -0.000 0.000 0.202 148 E C 1.997 178.604 176.600 0.012 0.000 1.021 148 E CA 1.386 57.796 56.400 0.016 0.000 0.825 148 E CB -0.321 29.387 29.700 0.014 0.000 0.756 148 E HN 0.145 nan 8.360 nan 0.000 0.454 149 L N 0.099 121.326 121.223 0.007 0.000 2.027 149 L HA -0.125 4.215 4.340 -0.000 0.000 0.206 149 L C 2.520 179.391 176.870 0.001 0.000 1.074 149 L CA 1.088 55.931 54.840 0.005 0.000 0.745 149 L CB -0.540 41.522 42.059 0.005 0.000 0.898 149 L HN 0.185 nan 8.230 nan 0.000 0.433 150 L N -0.239 120.982 121.223 -0.003 0.000 2.012 150 L HA -0.249 4.090 4.340 -0.000 0.000 0.210 150 L C 2.201 179.051 176.870 -0.034 0.000 1.073 150 L CA 2.273 57.105 54.840 -0.014 0.000 0.748 150 L CB -0.959 41.095 42.059 -0.009 0.000 0.891 150 L HN 0.465 nan 8.230 nan 0.000 0.431 151 D N -0.895 119.493 120.400 -0.021 0.000 2.126 151 D HA -0.219 4.421 4.640 -0.000 0.000 0.190 151 D C 2.116 178.390 176.300 -0.043 0.000 1.001 151 D CA 2.032 56.004 54.000 -0.046 0.000 0.841 151 D CB -0.309 40.484 40.800 -0.011 0.000 0.949 151 D HN 0.208 nan 8.370 nan 0.000 0.446 152 V N 0.116 120.023 119.914 -0.011 0.000 2.407 152 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 152 V C 2.588 178.694 176.094 0.020 0.000 1.055 152 V CA 1.958 64.263 62.300 0.008 0.000 1.049 152 V CB -0.525 31.306 31.823 0.014 0.000 0.662 152 V HN 0.327 nan 8.190 nan 0.000 0.455 153 Q N -0.806 119.000 119.800 0.010 0.000 2.119 153 Q HA -0.099 4.241 4.340 -0.000 0.000 0.201 153 Q C 2.291 178.317 176.000 0.042 0.000 0.972 153 Q CA 1.290 57.110 55.803 0.028 0.000 0.847 153 Q CB -0.117 28.630 28.738 0.015 0.000 0.903 153 Q HN 0.553 nan 8.270 nan 0.000 0.433 154 L N 0.329 121.535 121.223 -0.029 0.000 2.056 154 L HA -0.213 4.127 4.340 -0.000 0.000 0.207 154 L C 2.417 179.368 176.870 0.135 0.000 1.078 154 L CA 1.195 55.983 54.840 -0.087 0.000 0.749 154 L CB -0.479 41.270 42.059 -0.516 0.000 0.901 154 L HN 0.303 nan 8.230 nan 0.000 0.433 155 Q N -0.015 119.840 119.800 0.092 0.000 2.077 155 Q HA -0.248 4.092 4.340 -0.000 0.000 0.206 155 Q C 2.426 178.555 176.000 0.216 0.000 0.989 155 Q CA 1.898 57.807 55.803 0.177 0.000 0.853 155 Q CB -0.343 28.451 28.738 0.092 0.000 0.907 155 Q HN 0.565 nan 8.270 nan 0.000 0.418 156 A N 1.108 124.017 122.820 0.149 0.000 1.902 156 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 156 A C 2.325 180.019 177.584 0.184 0.000 1.181 156 A CA 1.720 53.836 52.037 0.131 0.000 0.623 156 A CB -0.883 18.176 19.000 0.099 0.000 0.818 156 A HN 0.422 nan 8.150 nan 0.000 0.443 157 A N -1.576 121.395 122.820 0.250 0.000 1.902 157 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 157 A C 2.180 179.979 177.584 0.358 0.000 1.181 157 A CA 1.745 53.978 52.037 0.328 0.000 0.623 157 A CB -0.819 18.386 19.000 0.342 0.000 0.818 157 A HN 0.751 nan 8.150 nan 0.000 0.443 158 Y N 1.306 121.783 120.300 0.295 0.000 2.163 158 Y HA -0.177 4.373 4.550 -0.000 0.000 0.288 158 Y C 2.211 178.178 175.900 0.112 0.000 1.136 158 Y CA 2.012 60.235 58.100 0.205 0.000 1.147 158 Y CB -0.215 38.398 38.460 0.256 0.000 0.987 158 Y HN 0.317 nan 8.280 nan 0.000 0.509 159 N N 0.502 119.240 118.700 0.064 0.000 2.142 159 N HA -0.150 4.590 4.740 -0.000 0.000 0.186 159 N C 1.201 176.609 175.510 -0.170 0.000 1.023 159 N CA 1.718 54.722 53.050 -0.076 0.000 0.852 159 N CB -0.411 38.099 38.487 0.038 0.000 0.998 159 N HN 0.462 nan 8.380 nan 0.000 0.424 160 D N -0.977 119.333 120.400 -0.151 0.000 2.183 160 D HA -0.019 4.621 4.640 -0.000 0.000 0.205 160 D C 0.898 176.832 176.300 -0.610 0.000 0.962 160 D CA 1.042 54.809 54.000 -0.389 0.000 0.849 160 D CB -0.081 40.482 40.800 -0.395 0.000 0.978 160 D HN 0.394 nan 8.370 nan 0.000 0.488 161 Y N -1.239 119.054 120.300 -0.012 0.000 2.563 161 Y HA 0.326 4.876 4.550 -0.000 0.000 0.250 161 Y C 1.343 177.290 175.900 0.078 0.000 1.126 161 Y CA -0.127 58.011 58.100 0.063 0.000 1.231 161 Y CB 1.244 39.733 38.460 0.048 0.000 1.288 161 Y HN -0.035 nan 8.280 nan 0.000 0.537 162 G N 1.497 110.274 108.800 -0.038 0.000 2.273 162 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.280 162 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.280 162 G C -0.301 174.618 174.900 0.032 0.000 1.047 162 G CA 0.345 45.334 45.100 -0.185 0.000 0.869 162 G HN 0.127 nan 8.290 nan 0.000 0.502 163 V N 0.786 120.796 119.914 0.160 0.000 2.432 163 V HA 0.570 4.690 4.120 -0.000 0.000 0.271 163 V C 1.090 177.175 176.094 -0.015 0.000 1.046 163 V CA 0.602 62.987 62.300 0.142 0.000 0.945 163 V CB 1.514 33.481 31.823 0.239 0.000 0.992 163 V HN 0.949 nan 8.190 nan 0.000 0.471 164 S N 1.249 116.776 115.700 -0.288 0.000 2.937 164 S HA 0.275 4.745 4.470 -0.000 0.000 0.252 164 S C 0.205 174.360 174.600 -0.742 0.000 1.022 164 S CA -0.052 57.511 58.200 -1.061 0.000 1.079 164 S CB 0.322 63.204 63.200 -0.531 0.000 1.035 164 S HN 0.806 nan 8.310 nan 0.000 0.594 165 S N 0.138 115.762 115.700 -0.127 0.000 2.536 165 S HA 0.883 5.352 4.470 -0.000 0.000 0.287 165 S C -0.600 174.236 174.600 0.393 0.000 1.101 165 S CA -0.658 57.688 58.200 0.242 0.000 0.950 165 S CB 1.822 65.268 63.200 0.411 0.000 1.056 165 S HN 0.151 nan 8.310 nan 0.000 0.481 169 F N 1.559 121.614 119.950 0.175 0.000 2.480 169 F HA 0.572 5.098 4.527 -0.000 0.000 0.329 169 F C 0.780 176.670 175.800 0.149 0.000 1.091 169 F CA -0.557 57.546 58.000 0.170 0.000 0.972 169 F CB 1.512 40.593 39.000 0.135 0.000 1.150 169 F HN 0.537 nan 8.300 nan 0.000 0.467 170 M N 0.718 120.505 119.600 0.312 0.000 2.333 170 M HA 0.160 4.639 4.480 -0.000 0.000 0.257 170 M C 0.131 176.532 176.300 0.169 0.000 1.078 170 M CA 0.314 55.747 55.300 0.222 0.000 1.005 170 M CB 0.750 33.473 32.600 0.206 0.000 1.444 170 M HN 0.693 nan 8.290 nan 0.000 0.496 171 T N -1.159 113.491 114.554 0.160 0.000 2.778 171 T HA 0.547 4.896 4.350 -0.000 0.000 0.293 171 T C -1.821 172.919 174.700 0.067 0.000 1.144 171 T CA -0.145 61.966 62.100 0.018 0.000 1.010 171 T CB 1.044 69.830 68.868 -0.136 0.000 1.325 171 T HN 0.259 nan 8.240 nan 0.000 0.515 172 Y N -0.730 119.537 120.300 -0.056 0.000 2.580 172 Y HA -0.086 4.464 4.550 -0.000 0.000 0.023 172 Y C -2.611 173.228 175.900 -0.101 0.000 1.784 172 Y CA -0.645 57.385 58.100 -0.118 0.000 1.367 172 Y CB -1.113 37.190 38.460 -0.261 0.000 2.018 172 Y HN 0.507 nan 8.280 nan 0.000 0.264 173 P HA 0.248 nan 4.420 nan 0.000 0.267 173 P C 0.887 178.175 177.300 -0.021 0.000 1.209 173 P CA 1.878 64.994 63.100 0.026 0.000 0.763 173 P CB 0.717 32.425 31.700 0.014 0.000 0.816 174 G N 2.401 111.194 108.800 -0.011 0.000 2.217 174 G HA2 -0.283 3.676 3.960 -0.000 0.000 0.246 174 G HA3 -0.283 3.676 3.960 -0.000 0.000 0.246 174 G C 0.607 175.437 174.900 -0.116 0.000 0.990 174 G CA 0.232 45.301 45.100 -0.051 0.000 0.627 174 G HN 0.487 nan 8.290 nan 0.000 0.522 175 L N 0.046 121.196 121.223 -0.123 0.000 2.526 175 L HA 0.344 4.684 4.340 -0.000 0.000 0.210 175 L C 1.496 178.449 176.870 0.139 0.000 1.048 175 L CA 0.400 55.158 54.840 -0.137 0.000 0.852 175 L CB -0.015 41.694 42.059 -0.583 0.000 1.128 175 L HN 0.364 nan 8.230 nan 0.000 0.482 176 Q N 2.555 122.441 119.800 0.143 0.000 2.269 176 Q HA 0.080 4.419 4.340 -0.000 0.000 0.300 176 Q C -0.642 175.472 176.000 0.189 0.000 1.070 176 Q CA 0.323 56.240 55.803 0.189 0.000 0.957 176 Q CB 0.413 29.230 28.738 0.131 0.000 1.131 176 Q HN 0.376 nan 8.270 nan 0.000 0.377 177 I N 0.561 121.255 120.570 0.207 0.000 2.693 177 I HA 0.543 4.712 4.170 -0.000 0.000 0.303 177 I C -0.037 176.175 176.117 0.157 0.000 1.025 177 I CA -1.146 60.263 61.300 0.182 0.000 1.086 177 I CB 1.972 40.088 38.000 0.194 0.000 1.268 177 I HN 0.618 nan 8.210 nan 0.000 0.440 178 S N 1.795 117.584 115.700 0.149 0.000 2.589 178 S HA 0.085 4.555 4.470 -0.000 0.000 0.265 178 S C 0.520 175.212 174.600 0.154 0.000 1.342 178 S CA -0.130 58.157 58.200 0.144 0.000 1.005 178 S CB 0.777 64.067 63.200 0.151 0.000 0.909 178 S HN 0.730 nan 8.310 nan 0.000 0.555 179 D N 0.382 120.867 120.400 0.141 0.000 2.149 179 D HA -0.132 4.507 4.640 -0.000 0.000 0.198 179 D C 1.440 177.822 176.300 0.136 0.000 0.990 179 D CA 1.662 55.738 54.000 0.125 0.000 0.839 179 D CB -0.613 40.251 40.800 0.107 0.000 0.948 179 D HN 0.760 nan 8.370 nan 0.000 0.460 180 Y N 1.868 122.192 120.300 0.040 0.000 2.081 180 Y HA -0.266 4.284 4.550 -0.000 0.000 0.280 180 Y C 1.801 177.725 175.900 0.040 0.000 1.163 180 Y CA 1.992 60.109 58.100 0.029 0.000 1.135 180 Y CB -0.133 38.339 38.460 0.020 0.000 0.970 180 Y HN -0.139 nan 8.280 nan 0.000 0.498 181 D N -0.035 120.475 120.400 0.185 0.000 2.144 181 D HA -0.158 4.482 4.640 -0.000 0.000 0.200 181 D C 2.298 178.630 176.300 0.053 0.000 0.978 181 D CA 1.635 55.698 54.000 0.106 0.000 0.833 181 D CB -0.336 40.562 40.800 0.164 0.000 0.961 181 D HN 0.470 nan 8.370 nan 0.000 0.470 182 I N 0.330 120.945 120.570 0.076 0.000 2.226 182 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 182 I C 2.429 178.572 176.117 0.045 0.000 1.100 182 I CA 0.898 62.240 61.300 0.069 0.000 1.374 182 I CB -0.212 37.837 38.000 0.082 0.000 1.057 182 I HN -0.028 nan 8.210 nan 0.000 0.413 183 M N -0.051 119.557 119.600 0.014 0.000 2.108 183 M HA -0.207 4.272 4.480 -0.000 0.000 0.261 183 M C 2.531 178.846 176.300 0.024 0.000 1.066 183 M CA 1.760 57.067 55.300 0.012 0.000 1.107 183 M CB -0.444 32.124 32.600 -0.053 0.000 1.356 183 M HN 0.145 nan 8.290 nan 0.000 0.406 184 S N 0.621 116.275 115.700 -0.077 0.000 2.370 184 S HA -0.147 4.323 4.470 -0.000 0.000 0.226 184 S C 2.106 176.740 174.600 0.056 0.000 1.033 184 S CA 1.444 59.610 58.200 -0.056 0.000 1.011 184 S CB -0.483 62.636 63.200 -0.136 0.000 0.852 184 S HN 0.580 nan 8.310 nan 0.000 0.457 185 A N 1.433 124.282 122.820 0.048 0.000 1.877 185 A HA -0.027 4.293 4.320 -0.000 0.000 0.216 185 A C 2.162 179.791 177.584 0.075 0.000 1.186 185 A CA 1.455 53.525 52.037 0.055 0.000 0.620 185 A CB -0.629 18.404 19.000 0.055 0.000 0.822 185 A HN 0.461 nan 8.150 nan 0.000 0.443 186 M N -2.271 117.385 119.600 0.094 0.000 2.202 186 M HA -0.160 4.320 4.480 -0.000 0.000 0.262 186 M C 2.150 178.544 176.300 0.156 0.000 1.063 186 M CA 1.767 57.129 55.300 0.104 0.000 1.097 186 M CB -0.412 32.248 32.600 0.101 0.000 1.382 186 M HN 0.641 nan 8.290 nan 0.000 0.413 187 Y N 0.582 120.942 120.300 0.100 0.000 2.165 187 Y HA -0.272 4.278 4.550 -0.000 0.000 0.286 187 Y C 2.344 178.302 175.900 0.095 0.000 1.155 187 Y CA 1.939 60.137 58.100 0.163 0.000 1.164 187 Y CB -0.149 38.406 38.460 0.157 0.000 0.978 187 Y HN 0.185 nan 8.280 nan 0.000 0.513 188 A N -0.756 122.186 122.820 0.203 0.000 1.898 188 A HA -0.122 4.197 4.320 -0.000 0.000 0.214 188 A C 2.255 179.764 177.584 -0.124 0.000 1.183 188 A CA 1.946 54.002 52.037 0.033 0.000 0.622 188 A CB -1.380 17.619 19.000 -0.002 0.000 0.824 188 A HN 0.571 nan 8.150 nan 0.000 0.444 189 T N -2.021 112.480 114.554 -0.088 0.000 2.777 189 T HA -0.149 4.201 4.350 -0.000 0.000 0.266 189 T C 2.022 176.723 174.700 0.002 0.000 1.040 189 T CA 1.247 63.294 62.100 -0.088 0.000 1.141 189 T CB -0.366 68.519 68.868 0.028 0.000 0.868 189 T HN 0.449 nan 8.240 nan 0.000 0.444 190 R N 1.408 121.914 120.500 0.010 0.000 2.081 190 R HA -0.055 4.284 4.340 -0.000 0.000 0.235 190 R C 2.629 178.934 176.300 0.007 0.000 1.131 190 R CA 1.575 57.695 56.100 0.033 0.000 0.960 190 R CB -0.299 30.039 30.300 0.064 0.000 0.856 190 R HN 0.446 nan 8.270 nan 0.000 0.436 191 K N 0.004 120.336 120.400 -0.113 0.000 2.152 191 K HA -0.105 4.215 4.320 -0.000 0.000 0.206 191 K C 1.074 177.534 176.600 -0.233 0.000 1.048 191 K CA 1.533 57.593 56.287 -0.379 0.000 0.933 191 K CB 0.047 32.119 32.500 -0.713 0.000 0.721 191 K HN 0.254 nan 8.250 nan 0.000 0.447 192 N N -0.487 118.134 118.700 -0.131 0.000 2.280 192 N HA 0.023 4.763 4.740 -0.000 0.000 0.192 192 N C 0.377 175.968 175.510 0.134 0.000 1.109 192 N CA 0.840 53.873 53.050 -0.028 0.000 0.855 192 N CB 1.169 39.573 38.487 -0.138 0.000 0.974 192 N HN 0.389 nan 8.380 nan 0.000 0.482 193 G N 1.223 110.079 108.800 0.093 0.000 2.225 193 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.267 193 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.267 193 G C -0.019 174.960 174.900 0.132 0.000 1.024 193 G CA -0.015 45.132 45.100 0.078 0.000 0.784 193 G HN 0.197 nan 8.290 nan 0.000 0.507 194 F N 0.762 120.676 119.950 -0.061 0.000 2.444 194 F HA 0.457 4.983 4.527 -0.000 0.000 0.331 194 F C 1.494 177.296 175.800 0.004 0.000 1.167 194 F CA 0.100 58.090 58.000 -0.017 0.000 1.262 194 F CB 0.769 39.778 39.000 0.015 0.000 1.196 194 F HN -0.034 nan 8.300 nan 0.000 0.583 195 T N 1.767 116.405 114.554 0.139 0.000 2.729 195 T HA 0.230 4.580 4.350 -0.000 0.000 0.296 195 T C -0.064 174.730 174.700 0.158 0.000 0.928 195 T CA -0.405 61.754 62.100 0.098 0.000 1.045 195 T CB 0.080 68.975 68.868 0.044 0.000 0.902 195 T HN 0.422 nan 8.240 nan 0.000 0.500 196 T N 5.846 120.455 114.554 0.092 0.000 2.743 196 T HA 0.465 4.815 4.350 -0.000 0.000 0.293 196 T C 0.174 174.861 174.700 -0.023 0.000 0.945 196 T CA -0.459 61.675 62.100 0.057 0.000 1.030 196 T CB 0.258 69.137 68.868 0.018 0.000 0.912 196 T HN 0.433 nan 8.240 nan 0.000 0.483 197 M N 3.913 123.501 119.600 -0.020 0.000 2.364 197 M HA 0.565 5.045 4.480 -0.000 0.000 0.334 197 M C -0.905 175.307 176.300 -0.145 0.000 1.107 197 M CA -0.640 54.605 55.300 -0.092 0.000 0.988 197 M CB 1.775 34.336 32.600 -0.064 0.000 1.673 197 M HN 0.290 nan 8.290 nan 0.000 0.441 198 L N 1.440 122.531 121.223 -0.220 0.000 2.410 198 L HA 0.423 4.763 4.340 -0.000 0.000 0.270 198 L C -0.807 176.047 176.870 -0.028 0.000 0.983 198 L CA -0.693 54.058 54.840 -0.147 0.000 0.822 198 L CB 2.134 44.092 42.059 -0.168 0.000 1.285 198 L HN 0.712 nan 8.230 nan 0.000 0.409 199 H N 3.126 122.120 119.070 -0.126 0.000 2.820 199 H HA 0.505 5.061 4.556 -0.000 0.000 0.278 199 H C -0.254 175.186 175.328 0.186 0.000 1.142 199 H CA -0.562 55.515 56.048 0.048 0.000 1.346 199 H CB 1.013 30.804 29.762 0.050 0.000 1.438 199 H HN 0.663 nan 8.280 nan 0.000 0.473 200 A N 5.840 128.908 122.820 0.413 0.000 2.736 200 A HA 0.262 4.582 4.320 -0.000 0.000 0.335 200 A C -0.416 177.337 177.584 0.281 0.000 1.446 200 A CA -0.578 51.674 52.037 0.359 0.000 1.028 200 A CB 0.055 19.302 19.000 0.412 0.000 1.154 200 A HN 0.857 nan 8.150 nan 0.000 0.507 201 E N 1.184 121.578 120.200 0.322 0.000 2.266 201 E HA 0.162 4.512 4.350 -0.000 0.000 0.268 201 E C -0.890 175.782 176.600 0.121 0.000 0.879 201 E CA -1.037 55.471 56.400 0.181 0.000 0.762 201 E CB 1.636 31.448 29.700 0.188 0.000 1.199 201 E HN 0.551 nan 8.360 nan 0.000 0.422 202 N N 1.828 120.569 118.700 0.068 0.000 2.400 202 N HA -0.004 4.736 4.740 -0.000 0.000 0.267 202 N C 0.835 176.367 175.510 0.036 0.000 1.208 202 N CA 0.224 53.305 53.050 0.052 0.000 0.951 202 N CB 0.998 39.502 38.487 0.028 0.000 1.227 202 N HN 0.768 nan 8.380 nan 0.000 0.488 203 G N 3.260 112.085 108.800 0.043 0.000 2.442 203 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.219 203 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.219 203 G C 1.048 175.970 174.900 0.037 0.000 1.141 203 G CA 0.539 45.651 45.100 0.021 0.000 0.763 203 G HN 0.529 nan 8.290 nan 0.000 0.554 204 D N 0.274 120.706 120.400 0.054 0.000 2.117 204 D HA -0.070 4.570 4.640 -0.000 0.000 0.197 204 D C 2.637 178.997 176.300 0.101 0.000 0.987 204 D CA 0.890 54.935 54.000 0.075 0.000 0.829 204 D CB -0.188 40.648 40.800 0.060 0.000 0.961 204 D HN 0.299 nan 8.370 nan 0.000 0.460 205 M N -0.244 119.392 119.600 0.059 0.000 2.132 205 M HA -0.110 4.369 4.480 -0.000 0.000 0.263 205 M C 2.139 178.497 176.300 0.096 0.000 1.065 205 M CA 0.763 56.096 55.300 0.055 0.000 1.122 205 M CB -0.047 32.553 32.600 -0.001 0.000 1.365 205 M HN -0.057 nan 8.290 nan 0.000 0.411 206 V N 0.615 120.561 119.914 0.053 0.000 2.295 206 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 206 V C 2.342 178.478 176.094 0.070 0.000 1.049 206 V CA 1.937 64.258 62.300 0.034 0.000 1.024 206 V CB -0.827 30.977 31.823 -0.032 0.000 0.648 206 V HN 0.466 nan 8.190 nan 0.000 0.447 207 K N -1.132 119.308 120.400 0.067 0.000 2.020 207 K HA -0.291 4.029 4.320 -0.000 0.000 0.212 207 K C 2.054 178.709 176.600 0.092 0.000 1.050 207 K CA 2.398 58.719 56.287 0.056 0.000 0.929 207 K CB -0.367 32.164 32.500 0.053 0.000 0.714 207 K HN 0.538 nan 8.250 nan 0.000 0.443 208 W N 0.726 122.015 121.300 -0.019 0.000 2.335 208 W HA -0.245 4.415 4.660 -0.000 0.000 0.311 208 W C 2.205 178.717 176.519 -0.011 0.000 1.213 208 W CA 1.751 59.086 57.345 -0.016 0.000 1.274 208 W CB -0.167 29.285 29.460 -0.013 0.000 1.148 208 W HN 0.159 nan 8.180 nan 0.000 0.498 209 M N 0.019 119.869 119.600 0.416 0.000 2.254 209 M HA -0.063 4.417 4.480 -0.000 0.000 0.265 209 M C 1.757 178.142 176.300 0.141 0.000 1.066 209 M CA 1.602 57.094 55.300 0.321 0.000 1.123 209 M CB -0.780 31.965 32.600 0.241 0.000 1.388 209 M HN 0.071 nan 8.290 nan 0.000 0.425 210 I N -0.438 120.198 120.570 0.110 0.000 2.179 210 I HA -0.314 3.855 4.170 -0.000 0.000 0.242 210 I C 2.027 178.112 176.117 -0.054 0.000 1.088 210 I CA 1.448 62.808 61.300 0.101 0.000 1.357 210 I CB -0.499 37.523 38.000 0.037 0.000 1.051 210 I HN 0.331 nan 8.210 nan 0.000 0.409 211 E N 0.875 120.988 120.200 -0.145 0.000 2.085 211 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 211 E C 2.323 178.761 176.600 -0.269 0.000 0.994 211 E CA 1.420 57.676 56.400 -0.241 0.000 0.801 211 E CB -0.210 29.295 29.700 -0.324 0.000 0.743 211 E HN 0.522 nan 8.360 nan 0.000 0.453 212 A N 0.890 123.517 122.820 -0.321 0.000 1.902 212 A HA -0.172 4.147 4.320 -0.000 0.000 0.217 212 A C 2.168 179.684 177.584 -0.112 0.000 1.181 212 A CA 1.131 53.008 52.037 -0.268 0.000 0.623 212 A CB -0.586 18.299 19.000 -0.192 0.000 0.818 212 A HN 0.142 nan 8.150 nan 0.000 0.443 213 L N -1.004 120.193 121.223 -0.044 0.000 2.056 213 L HA -0.175 4.165 4.340 -0.000 0.000 0.207 213 L C 2.596 179.429 176.870 -0.062 0.000 1.078 213 L CA 1.557 56.380 54.840 -0.027 0.000 0.749 213 L CB -0.587 41.527 42.059 0.092 0.000 0.901 213 L HN 0.452 nan 8.230 nan 0.000 0.433 214 E N -0.035 120.119 120.200 -0.077 0.000 2.110 214 E HA -0.290 4.060 4.350 -0.000 0.000 0.193 214 E C 1.967 178.504 176.600 -0.105 0.000 0.988 214 E CA 1.304 57.634 56.400 -0.116 0.000 0.804 214 E CB -0.015 29.578 29.700 -0.179 0.000 0.745 214 E HN 0.339 nan 8.360 nan 0.000 0.458 215 E N 1.248 121.378 120.200 -0.117 0.000 2.209 215 E HA -0.221 4.129 4.350 -0.000 0.000 0.196 215 E C 1.458 178.010 176.600 -0.080 0.000 0.993 215 E CA 1.424 57.762 56.400 -0.105 0.000 0.819 215 E CB 0.011 29.632 29.700 -0.131 0.000 0.745 215 E HN 0.268 nan 8.360 nan 0.000 0.477 216 Q N -1.184 118.566 119.800 -0.082 0.000 2.319 216 Q HA 0.206 4.546 4.340 -0.000 0.000 0.202 216 Q C 0.794 176.748 176.000 -0.076 0.000 0.896 216 Q CA 0.336 56.095 55.803 -0.074 0.000 0.942 216 Q CB 0.718 29.408 28.738 -0.080 0.000 1.083 216 Q HN 0.442 nan 8.270 nan 0.000 0.510 217 G N 1.484 110.240 108.800 -0.073 0.000 2.153 217 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.252 217 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.252 217 G C 0.089 174.951 174.900 -0.065 0.000 0.994 217 G CA -0.075 44.994 45.100 -0.052 0.000 0.698 217 G HN 0.326 nan 8.290 nan 0.000 0.521 218 L N 1.917 123.050 121.223 -0.150 0.000 2.389 218 L HA 0.385 4.725 4.340 -0.000 0.000 0.265 218 L C 1.608 178.472 176.870 -0.010 0.000 1.167 218 L CA 0.409 55.038 54.840 -0.353 0.000 1.045 218 L CB 0.247 41.770 42.059 -0.894 0.000 1.351 218 L HN 0.364 nan 8.230 nan 0.000 0.419 219 T N -4.656 110.022 114.554 0.206 0.000 3.040 219 T HA 0.133 4.483 4.350 -0.000 0.000 0.266 219 T C 0.559 175.582 174.700 0.539 0.000 1.005 219 T CA -0.522 61.787 62.100 0.348 0.000 0.906 219 T CB 0.203 69.115 68.868 0.073 0.000 1.082 219 T HN 0.169 nan 8.240 nan 0.000 0.531 220 D N 1.753 122.478 120.400 0.541 0.000 2.378 220 D HA 0.455 5.095 4.640 -0.000 0.000 0.238 220 D C 1.603 178.138 176.300 0.391 0.000 1.180 220 D CA 0.377 54.640 54.000 0.439 0.000 0.895 220 D CB 1.029 42.056 40.800 0.377 0.000 1.192 220 D HN 0.247 nan 8.370 nan 0.000 0.438 221 A N 2.117 125.079 122.820 0.236 0.000 1.997 221 A HA -0.283 4.037 4.320 -0.000 0.000 0.221 221 A C 2.012 179.600 177.584 0.007 0.000 1.172 221 A CA 1.559 53.662 52.037 0.110 0.000 0.645 221 A CB -1.042 17.948 19.000 -0.016 0.000 0.813 221 A HN 0.736 nan 8.150 nan 0.000 0.454 222 Y N -0.756 119.445 120.300 -0.166 0.000 2.256 222 Y HA -0.239 4.310 4.550 -0.001 0.000 0.288 222 Y C 1.714 177.334 175.900 -0.466 0.000 1.155 222 Y CA 1.708 59.611 58.100 -0.329 0.000 1.203 222 Y CB -0.460 37.726 38.460 -0.457 0.000 0.980 222 Y HN 0.430 nan 8.280 nan 0.000 0.530 223 Y N -1.371 118.691 120.300 -0.397 0.000 2.578 223 Y HA -0.067 4.483 4.550 -0.000 0.000 0.297 223 Y C 2.345 177.539 175.900 -1.176 0.000 1.176 223 Y CA 0.853 58.543 58.100 -0.684 0.000 1.315 223 Y CB -0.525 37.727 38.460 -0.347 0.000 1.031 223 Y HN 0.307 nan 8.280 nan 0.000 0.524 224 H N -0.099 118.285 119.070 -1.143 0.000 2.319 224 H HA -0.137 4.419 4.556 -0.001 0.000 0.299 224 H C 2.383 177.434 175.328 -0.461 0.000 1.092 224 H CA 1.880 57.418 56.048 -0.851 0.000 1.302 224 H CB -0.472 29.074 29.762 -0.360 0.000 1.373 224 H HN 0.295 nan 8.280 nan 0.000 0.497 225 G N -0.226 108.267 108.800 -0.511 0.000 2.402 225 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.216 225 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.216 225 G C 1.843 176.507 174.900 -0.393 0.000 1.162 225 G CA 1.083 45.921 45.100 -0.436 0.000 0.777 225 G HN 0.394 nan 8.290 nan 0.000 0.539 226 V N 2.084 121.734 119.914 -0.441 0.000 2.392 226 V HA -0.207 3.913 4.120 -0.000 0.000 0.249 226 V C 3.188 179.186 176.094 -0.160 0.000 1.059 226 V CA 2.226 64.376 62.300 -0.251 0.000 1.051 226 V CB -0.632 31.116 31.823 -0.124 0.000 0.658 226 V HN 0.610 nan 8.190 nan 0.000 0.455 227 S N 1.479 117.051 115.700 -0.213 0.000 2.469 227 S HA -0.158 4.311 4.470 -0.000 0.000 0.238 227 S C 1.135 175.682 174.600 -0.087 0.000 0.998 227 S CA 0.886 59.033 58.200 -0.089 0.000 0.957 227 S CB -0.240 62.938 63.200 -0.036 0.000 0.764 227 S HN 0.842 nan 8.310 nan 0.000 0.514 228 R N 0.072 120.474 120.500 -0.164 0.000 2.837 228 R HA 0.379 4.719 4.340 -0.000 0.000 0.245 228 R C -3.397 172.821 176.300 -0.137 0.000 1.712 228 R CA -1.458 54.559 56.100 -0.137 0.000 1.539 228 R CB 0.039 30.238 30.300 -0.169 0.000 1.490 228 R HN 0.184 nan 8.270 nan 0.000 0.667 229 P HA 0.066 nan 4.420 nan 0.000 0.271 229 P C 0.466 177.720 177.300 -0.078 0.000 1.244 229 P CA -0.150 62.897 63.100 -0.089 0.000 0.793 229 P CB 0.936 32.598 31.700 -0.063 0.000 0.984 230 S N 0.271 115.928 115.700 -0.071 0.000 2.400 230 S HA -0.157 4.313 4.470 -0.000 0.000 0.232 230 S C 1.866 176.429 174.600 -0.061 0.000 1.025 230 S CA 0.768 58.926 58.200 -0.070 0.000 0.993 230 S CB -0.905 62.258 63.200 -0.061 0.000 0.808 230 S HN 0.500 nan 8.310 nan 0.000 0.478 231 I N 1.347 121.886 120.570 -0.052 0.000 2.335 231 I HA -0.189 3.981 4.170 -0.000 0.000 0.251 231 I C 1.833 177.924 176.117 -0.045 0.000 1.129 231 I CA 1.016 62.288 61.300 -0.048 0.000 1.402 231 I CB -0.047 37.927 38.000 -0.044 0.000 1.069 231 I HN 0.132 nan 8.210 nan 0.000 0.424 232 V N 0.511 120.399 119.914 -0.044 0.000 2.307 232 V HA -0.294 3.826 4.120 -0.000 0.000 0.245 232 V C 2.396 178.479 176.094 -0.018 0.000 1.045 232 V CA 2.231 64.513 62.300 -0.030 0.000 1.024 232 V CB -0.714 31.090 31.823 -0.032 0.000 0.651 232 V HN 0.488 nan 8.190 nan 0.000 0.449 233 E N 0.223 120.406 120.200 -0.029 0.000 2.106 233 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 233 E C 2.272 178.839 176.600 -0.054 0.000 0.984 233 E CA 1.209 57.593 56.400 -0.026 0.000 0.806 233 E CB -0.347 29.320 29.700 -0.056 0.000 0.750 233 E HN 0.597 nan 8.360 nan 0.000 0.458 234 G N 1.382 110.143 108.800 -0.066 0.000 2.421 234 G HA2 -0.307 3.652 3.960 -0.000 0.000 0.216 234 G HA3 -0.307 3.652 3.960 -0.000 0.000 0.216 234 G C 1.495 176.353 174.900 -0.070 0.000 1.171 234 G CA 0.762 45.813 45.100 -0.082 0.000 0.775 234 G HN 0.221 nan 8.290 nan 0.000 0.543 235 E N 1.233 121.407 120.200 -0.043 0.000 2.023 235 E HA -0.152 4.198 4.350 -0.000 0.000 0.196 235 E C 2.877 179.475 176.600 -0.004 0.000 1.003 235 E CA 1.474 57.859 56.400 -0.025 0.000 0.809 235 E CB -0.585 29.103 29.700 -0.018 0.000 0.755 235 E HN 0.257 nan 8.360 nan 0.000 0.449 236 A N 0.199 123.030 122.820 0.018 0.000 1.902 236 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 236 A C 2.477 180.112 177.584 0.085 0.000 1.181 236 A CA 2.314 54.393 52.037 0.069 0.000 0.623 236 A CB -0.993 18.071 19.000 0.107 0.000 0.818 236 A HN 0.393 nan 8.150 nan 0.000 0.443 237 T N 0.169 114.714 114.554 -0.015 0.000 2.708 237 T HA -0.183 4.167 4.350 -0.000 0.000 0.266 237 T C 1.913 176.534 174.700 -0.131 0.000 1.037 237 T CA 1.689 63.663 62.100 -0.211 0.000 1.146 237 T CB -0.487 68.075 68.868 -0.509 0.000 0.865 237 T HN 0.696 nan 8.240 nan 0.000 0.435 238 N N 0.900 119.547 118.700 -0.089 0.000 2.069 238 N HA -0.137 4.603 4.740 -0.000 0.000 0.191 238 N C 1.960 177.484 175.510 0.023 0.000 1.031 238 N CA 1.382 54.406 53.050 -0.042 0.000 0.852 238 N CB -0.146 38.317 38.487 -0.040 0.000 1.018 238 N HN 0.306 nan 8.380 nan 0.000 0.423 239 R N -0.273 120.253 120.500 0.045 0.000 2.081 239 R HA -0.046 4.294 4.340 -0.000 0.000 0.235 239 R C 1.990 178.355 176.300 0.109 0.000 1.131 239 R CA 1.496 57.637 56.100 0.068 0.000 0.960 239 R CB -0.406 29.934 30.300 0.067 0.000 0.856 239 R HN 0.318 nan 8.270 nan 0.000 0.436 240 A N 0.742 123.669 122.820 0.178 0.000 1.930 240 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 240 A C 2.129 179.856 177.584 0.237 0.000 1.175 240 A CA 1.251 53.431 52.037 0.237 0.000 0.627 240 A CB -0.429 18.810 19.000 0.397 0.000 0.815 240 A HN 0.368 nan 8.150 nan 0.000 0.443 241 I N -0.280 120.458 120.570 0.280 0.000 2.179 241 I HA -0.238 3.932 4.170 -0.000 0.000 0.242 241 I C 2.568 178.733 176.117 0.080 0.000 1.088 241 I CA 1.773 63.179 61.300 0.178 0.000 1.357 241 I CB -0.652 37.413 38.000 0.108 0.000 1.051 241 I HN 0.251 nan 8.210 nan 0.000 0.409 242 T N 1.448 116.042 114.554 0.066 0.000 2.720 242 T HA -0.157 4.193 4.350 -0.000 0.000 0.268 242 T C 1.930 176.661 174.700 0.051 0.000 1.037 242 T CA 1.327 63.454 62.100 0.046 0.000 1.144 242 T CB -0.372 68.520 68.868 0.040 0.000 0.864 242 T HN 0.245 nan 8.240 nan 0.000 0.444 243 L N 0.758 122.018 121.223 0.063 0.000 2.017 243 L HA -0.091 4.248 4.340 -0.000 0.000 0.208 243 L C 3.123 180.024 176.870 0.052 0.000 1.073 243 L CA 1.350 56.226 54.840 0.061 0.000 0.745 243 L CB -0.784 41.314 42.059 0.066 0.000 0.894 243 L HN 0.247 nan 8.230 nan 0.000 0.432 244 A N -0.336 122.504 122.820 0.033 0.000 1.933 244 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 244 A C 2.361 179.922 177.584 -0.040 0.000 1.175 244 A CA 2.323 54.355 52.037 -0.008 0.000 0.628 244 A CB -0.901 18.079 19.000 -0.034 0.000 0.814 244 A HN 0.419 nan 8.150 nan 0.000 0.444 245 T N -0.342 114.198 114.554 -0.024 0.000 2.674 245 T HA -0.130 4.219 4.350 -0.000 0.000 0.265 245 T C 2.024 176.718 174.700 -0.010 0.000 1.039 245 T CA 1.968 64.040 62.100 -0.046 0.000 1.150 245 T CB -0.694 68.164 68.868 -0.016 0.000 0.864 245 T HN 0.513 nan 8.240 nan 0.000 0.427 246 T N 2.015 116.609 114.554 0.066 0.000 2.759 246 T HA -0.027 4.322 4.350 -0.000 0.000 0.269 246 T C 1.630 176.515 174.700 0.308 0.000 1.042 246 T CA 0.972 63.172 62.100 0.166 0.000 1.140 246 T CB -0.180 68.757 68.868 0.116 0.000 0.864 246 T HN 0.176 nan 8.240 nan 0.000 0.455 247 M N 0.671 120.390 119.600 0.199 0.000 2.428 247 M HA 0.192 4.672 4.480 -0.000 0.000 0.239 247 M C 0.552 176.848 176.300 -0.007 0.000 1.121 247 M CA 0.123 55.608 55.300 0.308 0.000 1.019 247 M CB -0.814 31.919 32.600 0.222 0.000 1.485 247 M HN 0.148 nan 8.290 nan 0.000 0.484 248 D N 2.106 122.287 120.400 -0.364 0.000 2.686 248 D HA -0.142 4.497 4.640 -0.000 0.000 0.235 248 D C -0.956 175.146 176.300 -0.331 0.000 1.160 248 D CA 0.761 54.366 54.000 -0.657 0.000 0.645 248 D CB -0.608 39.198 40.800 -1.657 0.000 1.039 248 D HN 0.209 nan 8.370 nan 0.000 0.423 249 T N 1.534 115.987 114.554 -0.169 0.000 2.786 249 T HA 0.511 4.860 4.350 -0.000 0.000 0.283 249 T C -2.416 172.220 174.700 -0.106 0.000 0.992 249 T CA -1.290 60.756 62.100 -0.089 0.000 0.954 249 T CB 1.961 70.818 68.868 -0.018 0.000 0.934 249 T HN -0.052 nan 8.240 nan 0.000 0.440 250 P HA 0.228 nan 4.420 nan 0.000 0.264 250 P C -0.706 176.533 177.300 -0.102 0.000 1.183 250 P CA -0.086 62.948 63.100 -0.111 0.000 0.763 250 P CB 0.515 32.208 31.700 -0.012 0.000 0.807 251 I N 3.288 123.751 120.570 -0.178 0.000 2.656 251 I HA 0.456 4.626 4.170 -0.000 0.000 0.292 251 I C -1.571 174.415 176.117 -0.219 0.000 1.144 251 I CA -1.252 59.920 61.300 -0.214 0.000 1.038 251 I CB 1.784 39.606 38.000 -0.296 0.000 1.244 251 I HN 0.177 nan 8.210 nan 0.000 0.420 252 L N 7.023 128.118 121.223 -0.215 0.000 2.333 252 L HA 0.566 4.906 4.340 -0.000 0.000 0.280 252 L C -1.539 175.165 176.870 -0.277 0.000 1.004 252 L CA -0.396 54.383 54.840 -0.102 0.000 0.820 252 L CB 1.494 43.566 42.059 0.021 0.000 1.247 252 L HN 0.448 nan 8.230 nan 0.000 0.416 253 F N 4.998 124.977 119.950 0.048 0.000 2.411 253 F HA 0.390 4.917 4.527 -0.001 0.000 0.355 253 F C 0.513 176.317 175.800 0.007 0.000 1.117 253 F CA -0.537 57.475 58.000 0.020 0.000 1.139 253 F CB 1.403 40.423 39.000 0.033 0.000 1.120 253 F HN 0.255 nan 8.300 nan 0.000 0.493 254 V N 0.903 120.835 119.914 0.029 0.000 2.904 254 V HA 0.308 4.428 4.120 -0.000 0.000 0.305 254 V C -0.091 175.836 176.094 -0.278 0.000 1.067 254 V CA -1.109 61.126 62.300 -0.108 0.000 1.044 254 V CB 0.701 32.416 31.823 -0.181 0.000 1.050 254 V HN 0.954 nan 8.190 nan 0.000 0.475 255 H N 0.156 119.301 119.070 0.126 0.000 2.133 255 H HA -0.118 4.438 4.556 -0.000 0.000 0.319 255 H C -0.403 174.842 175.328 -0.138 0.000 0.911 255 H CA 0.362 56.435 56.048 0.041 0.000 1.058 255 H CB -2.614 27.201 29.762 0.088 0.000 1.594 255 H HN 0.635 nan 8.280 nan 0.000 0.331 256 V N 1.346 121.249 119.914 -0.019 0.000 2.555 256 V HA 0.248 4.367 4.120 -0.000 0.000 0.286 256 V C 1.326 177.220 176.094 -0.333 0.000 1.044 256 V CA 0.641 62.892 62.300 -0.082 0.000 1.026 256 V CB 1.443 33.375 31.823 0.182 0.000 0.981 256 V HN 0.936 nan 8.190 nan 0.000 0.480 257 S N 1.338 116.798 115.700 -0.399 0.000 2.744 257 S HA 0.158 4.628 4.470 -0.000 0.000 0.265 257 S C 0.554 175.021 174.600 -0.222 0.000 1.065 257 S CA 0.180 58.065 58.200 -0.526 0.000 1.191 257 S CB 0.509 63.061 63.200 -1.080 0.000 1.150 257 S HN 0.635 nan 8.310 nan 0.000 0.646 258 S N 2.405 118.025 115.700 -0.133 0.000 2.442 258 S HA 0.576 5.046 4.470 -0.000 0.000 0.297 258 S C -2.005 172.577 174.600 -0.030 0.000 1.131 258 S CA -1.606 56.545 58.200 -0.081 0.000 1.092 258 S CB 1.273 64.419 63.200 -0.090 0.000 0.998 258 S HN 0.017 nan 8.310 nan 0.000 0.478 259 P HA -0.125 nan 4.420 nan 0.000 0.216 259 P C 1.011 178.290 177.300 -0.035 0.000 1.153 259 P CA 1.260 64.355 63.100 -0.008 0.000 0.858 259 P CB 0.143 31.839 31.700 -0.006 0.000 0.789 260 Q N -0.710 119.062 119.800 -0.048 0.000 2.119 260 Q HA -0.035 4.304 4.340 -0.000 0.000 0.201 260 Q C 2.256 178.202 176.000 -0.090 0.000 0.972 260 Q CA 1.771 57.536 55.803 -0.062 0.000 0.847 260 Q CB -1.299 27.404 28.738 -0.058 0.000 0.903 260 Q HN 0.183 nan 8.270 nan 0.000 0.433 261 A N 0.783 123.542 122.820 -0.102 0.000 1.873 261 A HA -0.058 4.261 4.320 -0.000 0.000 0.215 261 A C 2.292 179.778 177.584 -0.163 0.000 1.186 261 A CA 1.617 53.557 52.037 -0.161 0.000 0.616 261 A CB -1.079 17.825 19.000 -0.160 0.000 0.823 261 A HN 0.371 nan 8.150 nan 0.000 0.442 262 A N -0.364 122.402 122.820 -0.090 0.000 1.940 262 A HA -0.215 4.104 4.320 -0.000 0.000 0.219 262 A C 1.927 179.419 177.584 -0.154 0.000 1.176 262 A CA 1.894 53.855 52.037 -0.127 0.000 0.631 262 A CB -0.543 18.419 19.000 -0.065 0.000 0.814 262 A HN 0.649 nan 8.150 nan 0.000 0.446 263 E N -0.501 119.632 120.200 -0.112 0.000 2.051 263 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 263 E C 2.096 178.632 176.600 -0.107 0.000 0.991 263 E CA 1.730 58.072 56.400 -0.098 0.000 0.799 263 E CB -0.238 29.419 29.700 -0.072 0.000 0.748 263 E HN 0.630 nan 8.360 nan 0.000 0.449 264 V N -0.963 118.877 119.914 -0.123 0.000 2.548 264 V HA -0.146 3.974 4.120 -0.000 0.000 0.249 264 V C 2.087 178.098 176.094 -0.138 0.000 1.055 264 V CA 1.081 63.308 62.300 -0.121 0.000 1.065 264 V CB -0.572 31.176 31.823 -0.125 0.000 0.681 264 V HN 0.172 nan 8.190 nan 0.000 0.462 265 I N 0.701 121.161 120.570 -0.183 0.000 2.142 265 I HA -0.209 3.961 4.170 -0.000 0.000 0.240 265 I C 2.672 178.711 176.117 -0.131 0.000 1.078 265 I CA 2.225 63.426 61.300 -0.165 0.000 1.343 265 I CB -0.455 37.431 38.000 -0.191 0.000 1.046 265 I HN 0.326 nan 8.210 nan 0.000 0.405 266 K N 1.369 121.681 120.400 -0.146 0.000 2.044 266 K HA -0.243 4.077 4.320 -0.000 0.000 0.210 266 K C 2.051 178.596 176.600 -0.091 0.000 1.049 266 K CA 1.808 58.019 56.287 -0.126 0.000 0.927 266 K CB -0.339 32.084 32.500 -0.128 0.000 0.713 266 K HN 0.353 nan 8.250 nan 0.000 0.443 267 Q N -0.658 119.091 119.800 -0.084 0.000 2.124 267 Q HA -0.054 4.285 4.340 -0.000 0.000 0.202 267 Q C 2.095 178.058 176.000 -0.062 0.000 0.977 267 Q CA 1.466 57.230 55.803 -0.065 0.000 0.850 267 Q CB -0.211 28.492 28.738 -0.059 0.000 0.901 267 Q HN 0.469 nan 8.270 nan 0.000 0.429 268 A N 0.950 123.729 122.820 -0.069 0.000 1.898 268 A HA -0.231 4.089 4.320 -0.000 0.000 0.216 268 A C 1.974 179.512 177.584 -0.077 0.000 1.181 268 A CA 1.314 53.311 52.037 -0.067 0.000 0.620 268 A CB -0.392 18.573 19.000 -0.059 0.000 0.819 268 A HN 0.315 nan 8.150 nan 0.000 0.442 269 Q N -0.782 118.969 119.800 -0.082 0.000 2.084 269 Q HA -0.132 4.208 4.340 -0.000 0.000 0.202 269 Q C 2.160 178.124 176.000 -0.059 0.000 0.978 269 Q CA 1.980 57.736 55.803 -0.078 0.000 0.844 269 Q CB -0.461 28.234 28.738 -0.072 0.000 0.898 269 Q HN 0.658 nan 8.270 nan 0.000 0.426 270 T N 1.135 115.656 114.554 -0.055 0.000 2.759 270 T HA -0.150 4.200 4.350 -0.000 0.000 0.269 270 T C 1.487 176.163 174.700 -0.040 0.000 1.042 270 T CA 1.248 63.322 62.100 -0.043 0.000 1.140 270 T CB -0.095 68.748 68.868 -0.042 0.000 0.864 270 T HN 0.217 nan 8.240 nan 0.000 0.455 271 K N 0.130 120.503 120.400 -0.045 0.000 2.439 271 K HA 0.136 4.456 4.320 -0.000 0.000 0.197 271 K C 1.613 178.184 176.600 -0.048 0.000 1.041 271 K CA 0.543 56.804 56.287 -0.043 0.000 0.970 271 K CB 0.012 32.486 32.500 -0.045 0.000 0.773 271 K HN 0.455 nan 8.250 nan 0.000 0.479 272 G N 1.140 109.907 108.800 -0.055 0.000 2.175 272 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.244 272 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.244 272 G C 0.057 174.906 174.900 -0.085 0.000 0.982 272 G CA -0.283 44.783 45.100 -0.057 0.000 0.641 272 G HN 0.125 nan 8.290 nan 0.000 0.527 273 L N 0.493 121.654 121.223 -0.102 0.000 2.485 273 L HA 0.237 4.576 4.340 -0.000 0.000 0.275 273 L C 1.128 177.873 176.870 -0.208 0.000 1.207 273 L CA 0.092 54.848 54.840 -0.139 0.000 0.855 273 L CB 0.428 42.414 42.059 -0.121 0.000 1.114 273 L HN 0.023 nan 8.230 nan 0.000 0.485 274 K N 3.017 123.259 120.400 -0.264 0.000 2.111 274 K HA 0.249 4.569 4.320 -0.000 0.000 0.249 274 K C -1.081 175.106 176.600 -0.687 0.000 1.157 274 K CA -0.115 55.886 56.287 -0.477 0.000 1.048 274 K CB 0.154 32.466 32.500 -0.313 0.000 1.498 274 K HN 0.276 nan 8.250 nan 0.000 0.344 275 V N 4.233 123.747 119.914 -0.668 0.000 2.376 275 V HA 0.303 4.423 4.120 -0.000 0.000 0.287 275 V C -0.765 175.059 176.094 -0.449 0.000 1.015 275 V CA -0.927 61.115 62.300 -0.430 0.000 0.834 275 V CB 0.352 32.113 31.823 -0.104 0.000 1.001 275 V HN 0.452 nan 8.190 nan 0.000 0.428 276 Y N 2.488 122.803 120.300 0.026 0.000 2.534 276 Y HA 0.879 5.429 4.550 -0.000 0.000 0.329 276 Y C 0.431 176.410 175.900 0.131 0.000 1.154 276 Y CA -0.933 57.181 58.100 0.024 0.000 1.192 276 Y CB 1.972 40.394 38.460 -0.064 0.000 1.275 276 Y HN 0.670 nan 8.280 nan 0.000 0.491 277 A N 1.007 124.023 122.820 0.328 0.000 2.549 277 A HA 0.572 4.891 4.320 -0.000 0.000 0.297 277 A C -1.593 176.215 177.584 0.373 0.000 1.061 277 A CA -0.779 51.484 52.037 0.377 0.000 0.690 277 A CB 1.939 21.186 19.000 0.411 0.000 1.287 277 A HN 0.745 nan 8.150 nan 0.000 0.402 278 E N 0.796 121.180 120.200 0.306 0.000 2.199 278 E HA 0.638 4.987 4.350 -0.000 0.000 0.269 278 E C -0.751 175.858 176.600 0.015 0.000 0.899 278 E CA -0.288 56.226 56.400 0.190 0.000 0.772 278 E CB 1.906 31.723 29.700 0.196 0.000 1.155 278 E HN 0.641 nan 8.360 nan 0.000 0.408 279 T N 1.631 116.051 114.554 -0.222 0.000 2.807 279 T HA 0.620 4.970 4.350 -0.000 0.000 0.277 279 T C -1.194 173.443 174.700 -0.105 0.000 1.006 279 T CA -0.350 61.531 62.100 -0.365 0.000 1.006 279 T CB 0.958 69.166 68.868 -1.100 0.000 1.274 279 T HN 0.642 nan 8.240 nan 0.000 0.569 280 C N 2.027 121.316 119.300 -0.018 0.000 2.797 280 C HA 0.478 4.938 4.460 -0.000 0.000 0.306 280 C C -1.489 173.389 174.990 -0.187 0.000 1.207 280 C CA -1.156 57.823 59.018 -0.066 0.000 1.507 280 C CB 1.641 29.331 27.740 -0.084 0.000 2.028 280 C HN 0.659 nan 8.230 nan 0.000 0.475 281 P HA -0.255 nan 4.420 nan 0.000 0.218 281 P C 1.747 178.933 177.300 -0.190 0.000 1.154 281 P CA 1.801 64.785 63.100 -0.193 0.000 0.872 281 P CB -0.004 31.618 31.700 -0.131 0.000 0.790 282 Q N -1.042 118.647 119.800 -0.185 0.000 2.234 282 Q HA -0.211 4.128 4.340 -0.000 0.000 0.206 282 Q C 1.745 177.580 176.000 -0.276 0.000 0.980 282 Q CA 1.850 57.538 55.803 -0.191 0.000 0.869 282 Q CB -1.536 27.012 28.738 -0.316 0.000 0.912 282 Q HN 0.416 nan 8.270 nan 0.000 0.436 283 Y N 0.510 120.745 120.300 -0.109 0.000 2.516 283 Y HA 0.158 4.708 4.550 -0.001 0.000 0.291 283 Y C 2.513 178.282 175.900 -0.219 0.000 1.131 283 Y CA 0.435 58.445 58.100 -0.151 0.000 1.281 283 Y CB 0.135 38.487 38.460 -0.179 0.000 1.013 283 Y HN 0.288 nan 8.280 nan 0.000 0.554 284 A N -0.737 121.940 122.820 -0.238 0.000 2.063 284 A HA 0.153 4.473 4.320 -0.000 0.000 0.211 284 A C 1.732 179.227 177.584 -0.148 0.000 1.177 284 A CA 0.560 52.319 52.037 -0.464 0.000 0.759 284 A CB -0.275 17.961 19.000 -1.273 0.000 0.857 284 A HN 0.432 nan 8.150 nan 0.000 0.468 285 L N -1.038 120.136 121.223 -0.082 0.000 2.575 285 L HA 0.358 4.698 4.340 -0.000 0.000 0.228 285 L C -0.248 176.631 176.870 0.016 0.000 1.075 285 L CA 0.154 54.992 54.840 -0.002 0.000 0.867 285 L CB 0.271 42.279 42.059 -0.084 0.000 1.097 285 L HN 0.162 nan 8.230 nan 0.000 0.485 286 L N -0.669 120.560 121.223 0.011 0.000 2.354 286 L HA 0.478 4.817 4.340 -0.000 0.000 0.269 286 L C -0.015 176.852 176.870 -0.005 0.000 1.005 286 L CA -0.417 54.414 54.840 -0.015 0.000 0.819 286 L CB 2.101 44.131 42.059 -0.048 0.000 1.311 286 L HN -0.037 nan 8.230 nan 0.000 0.423 287 S N -1.590 114.096 115.700 -0.024 0.000 2.664 287 S HA 0.288 4.757 4.470 -0.000 0.000 0.304 287 S C 0.282 174.872 174.600 -0.016 0.000 1.099 287 S CA -0.571 57.629 58.200 -0.000 0.000 1.003 287 S CB 1.655 64.860 63.200 0.009 0.000 1.092 287 S HN 0.734 nan 8.310 nan 0.000 0.525 288 D N 0.703 121.120 120.400 0.029 0.000 2.392 288 D HA 0.015 4.655 4.640 -0.000 0.000 0.228 288 D C 1.616 177.998 176.300 0.136 0.000 1.003 288 D CA 0.905 54.947 54.000 0.069 0.000 0.917 288 D CB -0.580 40.269 40.800 0.082 0.000 0.890 288 D HN 0.620 nan 8.370 nan 0.000 0.532 289 A N 0.360 123.231 122.820 0.085 0.000 2.070 289 A HA -0.070 4.250 4.320 -0.000 0.000 0.220 289 A C 2.079 179.764 177.584 0.168 0.000 1.159 289 A CA 0.741 52.862 52.037 0.140 0.000 0.656 289 A CB -0.705 18.238 19.000 -0.095 0.000 0.800 289 A HN 0.302 nan 8.150 nan 0.000 0.453 290 I N 0.518 120.991 120.570 -0.162 0.000 3.001 290 I HA -0.112 4.057 4.170 -0.000 0.000 0.268 290 I C 2.261 178.130 176.117 -0.414 0.000 1.267 290 I CA 1.891 62.842 61.300 -0.582 0.000 1.472 290 I CB -0.196 37.280 38.000 -0.873 0.000 1.089 290 I HN 0.446 nan 8.210 nan 0.000 0.468 291 T N -1.483 113.015 114.554 -0.094 0.000 3.100 291 T HA 0.124 4.474 4.350 -0.000 0.000 0.253 291 T C 0.765 175.500 174.700 0.059 0.000 1.118 291 T CA -0.276 61.845 62.100 0.034 0.000 1.058 291 T CB -0.240 68.690 68.868 0.103 0.000 0.953 291 T HN 0.468 nan 8.240 nan 0.000 0.515 292 R N -0.309 120.221 120.500 0.050 0.000 2.764 292 R HA 0.655 4.994 4.340 -0.000 0.000 0.270 292 R C -0.882 175.441 176.300 0.038 0.000 1.014 292 R CA -0.989 55.079 56.100 -0.052 0.000 0.904 292 R CB 0.406 30.517 30.300 -0.315 0.000 1.236 292 R HN 0.228 nan 8.270 nan 0.000 0.466 293 C N 0.313 119.591 119.300 -0.036 0.000 2.527 293 C HA 0.629 5.088 4.460 -0.000 0.000 0.396 293 C C 0.128 174.954 174.990 -0.274 0.000 1.289 293 C CA -0.487 58.563 59.018 0.054 0.000 2.047 293 C CB -0.494 27.279 27.740 0.055 0.000 2.568 293 C HN 0.747 nan 8.230 nan 0.000 0.573 304 V N -0.927 119.055 119.914 0.112 0.000 3.272 304 V HA 0.728 4.848 4.120 -0.000 0.000 0.361 304 V C 0.662 176.937 176.094 0.301 0.000 1.288 304 V CA 0.450 62.835 62.300 0.141 0.000 1.315 304 V CB -0.412 31.514 31.823 0.172 0.000 1.235 304 V HN 0.809 nan 8.190 nan 0.000 0.465 305 G N -0.384 108.565 108.800 0.247 0.000 2.570 305 G HA2 0.543 4.502 3.960 -0.000 0.000 0.310 305 G HA3 0.543 4.502 3.960 -0.000 0.000 0.310 305 G C -1.151 173.835 174.900 0.143 0.000 1.266 305 G CA -1.073 44.160 45.100 0.222 0.000 0.825 305 G HN 0.212 nan 8.290 nan 0.000 0.483 306 I N 1.438 121.993 120.570 -0.024 0.000 2.556 306 I HA 0.121 4.291 4.170 -0.000 0.000 0.284 306 I C -0.060 176.113 176.117 0.094 0.000 1.114 306 I CA -0.182 61.117 61.300 -0.001 0.000 1.418 306 I CB 1.105 39.053 38.000 -0.086 0.000 1.394 306 I HN 0.382 nan 8.210 nan 0.000 0.552 307 D N 6.896 127.384 120.400 0.148 0.000 2.368 307 D HA -0.004 4.636 4.640 -0.000 0.000 0.268 307 D C 0.988 177.351 176.300 0.105 0.000 1.298 307 D CA 0.336 54.410 54.000 0.122 0.000 0.938 307 D CB 0.672 41.549 40.800 0.128 0.000 1.101 307 D HN 0.430 nan 8.370 nan 0.000 0.509 308 L N 2.911 124.190 121.223 0.093 0.000 2.191 308 L HA -0.187 4.152 4.340 -0.000 0.000 0.212 308 L C 2.358 179.293 176.870 0.107 0.000 1.103 308 L CA 1.205 56.069 54.840 0.038 0.000 0.769 308 L CB -0.525 41.555 42.059 0.035 0.000 0.908 308 L HN 0.444 nan 8.230 nan 0.000 0.438 309 S N -1.164 114.671 115.700 0.226 0.000 2.481 309 S HA -0.122 4.348 4.470 -0.000 0.000 0.231 309 S C 2.015 176.710 174.600 0.159 0.000 0.996 309 S CA 0.870 59.227 58.200 0.262 0.000 0.942 309 S CB -0.302 63.010 63.200 0.187 0.000 0.768 309 S HN 0.526 nan 8.310 nan 0.000 0.520 310 S N 1.001 116.774 115.700 0.122 0.000 2.527 310 S HA 0.275 4.745 4.470 -0.000 0.000 0.222 310 S C 0.628 175.289 174.600 0.102 0.000 0.985 310 S CA -0.529 57.736 58.200 0.109 0.000 0.921 310 S CB -0.787 62.484 63.200 0.118 0.000 0.772 310 S HN 0.562 nan 8.310 nan 0.000 0.529 311 I N 3.183 123.799 120.570 0.076 0.000 2.556 311 I HA 0.120 4.290 4.170 -0.000 0.000 0.284 311 I C 0.101 176.259 176.117 0.069 0.000 1.114 311 I CA -0.271 61.067 61.300 0.064 0.000 1.418 311 I CB 0.803 38.791 38.000 -0.019 0.000 1.394 311 I HN 0.151 nan 8.210 nan 0.000 0.552 312 S N 5.582 121.339 115.700 0.095 0.000 2.586 312 S HA 0.170 4.640 4.470 -0.000 0.000 0.274 312 S C 0.079 174.745 174.600 0.109 0.000 1.281 312 S CA -0.580 57.678 58.200 0.097 0.000 1.035 312 S CB 1.009 64.264 63.200 0.092 0.000 0.962 312 S HN 0.622 nan 8.310 nan 0.000 0.512 313 E N 0.436 120.701 120.200 0.109 0.000 2.252 313 E HA -0.155 4.195 4.350 -0.000 0.000 0.199 313 E C -0.293 176.356 176.600 0.081 0.000 1.352 313 E CA 0.708 57.181 56.400 0.122 0.000 0.682 313 E CB -1.823 27.990 29.700 0.188 0.000 1.142 313 E HN 0.770 nan 8.360 nan 0.000 0.367 314 S N -2.087 113.654 115.700 0.068 0.000 2.740 314 S HA 0.700 5.170 4.470 -0.000 0.000 0.300 314 S C -2.332 172.293 174.600 0.041 0.000 1.147 314 S CA -1.387 56.835 58.200 0.035 0.000 0.871 314 S CB 2.618 65.738 63.200 -0.133 0.000 1.173 314 S HN -0.212 nan 8.310 nan 0.000 0.510 315 P HA 0.001 nan 4.420 nan 0.000 0.219 315 P C 0.976 178.464 177.300 0.314 0.000 1.146 315 P CA 1.297 64.480 63.100 0.138 0.000 0.808 315 P CB -0.146 31.632 31.700 0.130 0.000 0.779 316 F N -0.492 119.466 119.950 0.014 0.000 2.146 316 F HA -0.152 4.375 4.527 -0.001 0.000 0.298 316 F C 2.487 178.303 175.800 0.028 0.000 1.096 316 F CA 1.399 59.410 58.000 0.020 0.000 1.275 316 F CB -1.007 38.002 39.000 0.015 0.000 1.008 316 F HN 0.040 nan 8.300 nan 0.000 0.480 317 T N -3.121 111.574 114.554 0.236 0.000 3.009 317 T HA 0.005 4.355 4.350 -0.000 0.000 0.258 317 T C 0.772 175.545 174.700 0.121 0.000 1.063 317 T CA 0.499 62.689 62.100 0.151 0.000 1.139 317 T CB -0.211 68.732 68.868 0.125 0.000 0.890 317 T HN 0.001 nan 8.240 nan 0.000 0.471 318 N N 2.504 121.278 118.700 0.123 0.000 2.918 318 N HA 0.249 4.989 4.740 -0.000 0.000 0.270 318 N C -2.189 173.384 175.510 0.106 0.000 1.536 318 N CA -1.241 51.874 53.050 0.110 0.000 0.877 318 N CB 1.863 40.419 38.487 0.115 0.000 1.190 318 N HN 0.368 nan 8.380 nan 0.000 0.492 319 P HA -0.069 nan 4.420 nan 0.000 0.221 319 P C 0.561 177.907 177.300 0.075 0.000 1.150 319 P CA 1.023 64.173 63.100 0.083 0.000 0.800 319 P CB 0.628 32.364 31.700 0.060 0.000 0.787 320 D N 0.033 120.479 120.400 0.076 0.000 2.144 320 D HA -0.109 4.531 4.640 -0.000 0.000 0.200 320 D C 0.675 177.033 176.300 0.097 0.000 0.978 320 D CA 1.136 55.181 54.000 0.075 0.000 0.833 320 D CB -0.880 39.959 40.800 0.066 0.000 0.961 320 D HN 0.150 nan 8.370 nan 0.000 0.470 321 D N 0.719 121.189 120.400 0.117 0.000 2.398 321 D HA 0.019 4.659 4.640 -0.000 0.000 0.250 321 D C 0.908 177.313 176.300 0.176 0.000 1.287 321 D CA -0.015 54.082 54.000 0.161 0.000 0.992 321 D CB 0.132 41.046 40.800 0.190 0.000 1.071 321 D HN 0.015 nan 8.370 nan 0.000 0.514 322 R N 2.071 122.686 120.500 0.190 0.000 2.285 322 R HA -0.113 4.227 4.340 -0.000 0.000 0.213 322 R C 1.179 177.649 176.300 0.283 0.000 1.068 322 R CA 0.538 56.759 56.100 0.201 0.000 1.004 322 R CB -0.002 30.416 30.300 0.196 0.000 0.873 322 R HN 0.384 nan 8.270 nan 0.000 0.467 323 F N 0.401 120.451 119.950 0.167 0.000 2.749 323 F HA 0.200 4.727 4.527 -0.000 0.000 0.300 323 F C 1.704 177.591 175.800 0.145 0.000 1.103 323 F CA -0.446 57.670 58.000 0.192 0.000 1.342 323 F CB 0.120 39.280 39.000 0.266 0.000 1.098 323 F HN -0.164 nan 8.300 nan 0.000 0.586 324 I N -0.190 120.413 120.570 0.055 0.000 2.700 324 I HA -0.170 4.000 4.170 -0.000 0.000 0.261 324 I C 2.323 178.205 176.117 -0.392 0.000 1.219 324 I CA 1.368 62.496 61.300 -0.287 0.000 1.463 324 I CB -0.555 37.343 38.000 -0.169 0.000 1.092 324 I HN 0.217 nan 8.210 nan 0.000 0.452 325 G N 0.021 108.703 108.800 -0.197 0.000 2.470 325 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.220 325 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.220 325 G C 1.710 176.469 174.900 -0.235 0.000 1.121 325 G CA 0.852 45.903 45.100 -0.083 0.000 0.766 325 G HN 0.563 nan 8.290 nan 0.000 0.553 326 S N 0.761 116.149 115.700 -0.521 0.000 2.419 326 S HA -0.120 4.350 4.470 -0.000 0.000 0.235 326 S C 2.017 176.296 174.600 -0.536 0.000 1.019 326 S CA 1.446 59.287 58.200 -0.598 0.000 0.982 326 S CB -0.279 62.285 63.200 -1.060 0.000 0.789 326 S HN 0.461 nan 8.310 nan 0.000 0.490 327 K N 0.311 120.221 120.400 -0.816 0.000 2.160 327 K HA -0.131 4.189 4.320 -0.000 0.000 0.206 327 K C 0.721 176.859 176.600 -0.770 0.000 1.047 327 K CA 1.745 57.385 56.287 -1.078 0.000 0.930 327 K CB -0.314 31.160 32.500 -1.710 0.000 0.720 327 K HN 0.696 nan 8.250 nan 0.000 0.450 328 Y N -0.226 119.939 120.300 -0.225 0.000 2.584 328 Y HA 0.225 4.775 4.550 -0.001 0.000 0.254 328 Y C 0.195 176.017 175.900 -0.131 0.000 1.177 328 Y CA -0.721 57.279 58.100 -0.165 0.000 1.216 328 Y CB 0.500 38.848 38.460 -0.187 0.000 1.172 328 Y HN -0.159 nan 8.280 nan 0.000 0.529 329 I N 2.746 123.265 120.570 -0.086 0.000 2.396 329 I HA 0.164 4.334 4.170 -0.000 0.000 0.289 329 I C 0.488 176.539 176.117 -0.109 0.000 1.056 329 I CA -0.629 60.578 61.300 -0.154 0.000 1.365 329 I CB -0.448 37.361 38.000 -0.318 0.000 1.407 329 I HN 0.338 nan 8.210 nan 0.000 0.509 330 C N 3.112 122.406 119.300 -0.010 0.000 3.323 330 C HA 0.827 5.286 4.460 -0.000 0.000 0.324 330 C C -0.187 174.952 174.990 0.249 0.000 1.428 330 C CA -0.695 58.373 59.018 0.082 0.000 1.368 330 C CB 1.723 29.499 27.740 0.059 0.000 1.731 330 C HN 0.659 nan 8.230 nan 0.000 0.455 331 S N 2.486 118.317 115.700 0.218 0.000 2.647 331 S HA 0.730 5.200 4.470 -0.000 0.000 0.300 331 S C -2.763 171.797 174.600 -0.066 0.000 1.129 331 S CA -0.356 57.985 58.200 0.235 0.000 1.029 331 S CB 1.783 65.218 63.200 0.392 0.000 1.007 331 S HN 0.819 nan 8.310 nan 0.000 0.484 332 P HA 0.306 nan 4.420 nan 0.000 0.272 332 P C -2.825 174.530 177.300 0.093 0.000 1.240 332 P CA -1.551 61.532 63.100 -0.028 0.000 0.791 332 P CB -0.577 31.016 31.700 -0.178 0.000 0.978 333 P HA 0.204 nan 4.420 nan 0.000 0.274 333 P C 0.232 177.652 177.300 0.199 0.000 1.237 333 P CA -0.128 63.056 63.100 0.141 0.000 0.793 333 P CB 0.423 32.079 31.700 -0.073 0.000 0.977 334 I N 2.378 123.081 120.570 0.222 0.000 2.668 334 I HA -0.023 4.147 4.170 -0.000 0.000 0.285 334 I C 1.548 177.721 176.117 0.093 0.000 1.168 334 I CA 0.363 61.778 61.300 0.191 0.000 1.424 334 I CB 0.090 38.143 38.000 0.088 0.000 1.377 334 I HN 0.127 nan 8.210 nan 0.000 0.560 335 R N 7.090 127.643 120.500 0.088 0.000 2.543 335 R HA 0.447 4.786 4.340 -0.000 0.000 0.268 335 R C -2.326 173.989 176.300 0.026 0.000 1.067 335 R CA -2.274 53.841 56.100 0.025 0.000 1.142 335 R CB -0.206 30.099 30.300 0.007 0.000 1.110 335 R HN 0.224 nan 8.270 nan 0.000 0.549 336 P HA -0.038 nan 4.420 nan 0.000 0.269 336 P C -0.258 177.059 177.300 0.029 0.000 1.217 336 P CA -0.123 62.996 63.100 0.030 0.000 0.783 336 P CB 0.380 32.095 31.700 0.024 0.000 0.898 337 E N 1.123 121.339 120.200 0.026 0.000 2.481 337 E HA 0.196 4.545 4.350 -0.000 0.000 0.263 337 E C 1.371 177.989 176.600 0.029 0.000 0.992 337 E CA 1.947 58.362 56.400 0.024 0.000 0.938 337 E CB -0.672 29.033 29.700 0.008 0.000 0.933 337 E HN 0.693 nan 8.360 nan 0.000 0.453 338 G N 2.784 111.608 108.800 0.039 0.000 2.213 338 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.226 338 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.226 338 G C 1.150 176.078 174.900 0.047 0.000 0.992 338 G CA 0.470 45.595 45.100 0.042 0.000 0.632 338 G HN 0.571 nan 8.290 nan 0.000 0.511 339 T N 0.792 115.372 114.554 0.043 0.000 2.978 339 T HA 0.055 4.405 4.350 -0.000 0.000 0.262 339 T C 2.264 176.999 174.700 0.057 0.000 1.063 339 T CA 1.861 63.985 62.100 0.040 0.000 1.140 339 T CB -0.086 68.795 68.868 0.022 0.000 0.886 339 T HN 0.381 nan 8.240 nan 0.000 0.470 340 Q N 1.364 121.206 119.800 0.070 0.000 2.170 340 Q HA 0.044 4.384 4.340 -0.000 0.000 0.203 340 Q C 2.165 178.248 176.000 0.140 0.000 0.976 340 Q CA 1.100 56.946 55.803 0.073 0.000 0.858 340 Q CB -0.211 28.585 28.738 0.097 0.000 0.907 340 Q HN 0.392 nan 8.270 nan 0.000 0.433 341 K N -0.095 120.420 120.400 0.193 0.000 2.097 341 K HA -0.098 4.221 4.320 -0.000 0.000 0.206 341 K C 1.942 178.679 176.600 0.230 0.000 1.049 341 K CA 1.341 57.786 56.287 0.264 0.000 0.933 341 K CB -0.044 32.561 32.500 0.174 0.000 0.717 341 K HN 0.095 nan 8.250 nan 0.000 0.442 342 S N 0.829 116.618 115.700 0.149 0.000 2.419 342 S HA -0.078 4.392 4.470 -0.000 0.000 0.233 342 S C 1.700 176.410 174.600 0.184 0.000 1.016 342 S CA 0.736 59.016 58.200 0.133 0.000 0.974 342 S CB -0.096 63.157 63.200 0.089 0.000 0.786 342 S HN 0.243 nan 8.310 nan 0.000 0.492 343 I N -0.124 120.533 120.570 0.145 0.000 2.286 343 I HA -0.074 4.095 4.170 -0.000 0.000 0.245 343 I C 1.904 178.104 176.117 0.139 0.000 1.104 343 I CA 0.751 62.124 61.300 0.121 0.000 1.397 343 I CB -1.476 36.443 38.000 -0.136 0.000 1.072 343 I HN 0.424 nan 8.210 nan 0.000 0.417 344 W N 1.635 123.028 121.300 0.155 0.000 2.358 344 W HA -0.170 4.490 4.660 -0.000 0.000 0.303 344 W C 2.663 179.262 176.519 0.133 0.000 1.208 344 W CA 0.750 58.173 57.345 0.130 0.000 1.274 344 W CB -0.361 29.151 29.460 0.087 0.000 1.138 344 W HN 0.032 nan 8.180 nan 0.000 0.515 345 K N -0.086 120.517 120.400 0.338 0.000 2.032 345 K HA -0.152 4.167 4.320 -0.000 0.000 0.209 345 K C 2.363 179.053 176.600 0.149 0.000 1.048 345 K CA 1.545 57.951 56.287 0.198 0.000 0.927 345 K CB -0.960 31.619 32.500 0.131 0.000 0.712 345 K HN 0.252 nan 8.250 nan 0.000 0.441 346 G N 0.974 109.871 108.800 0.161 0.000 2.440 346 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.218 346 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.218 346 G C 1.458 176.433 174.900 0.126 0.000 1.154 346 G CA 0.842 45.912 45.100 -0.051 0.000 0.767 346 G HN 0.157 nan 8.290 nan 0.000 0.552 347 M N 0.358 120.218 119.600 0.434 0.000 2.159 347 M HA -0.051 4.429 4.480 -0.000 0.000 0.263 347 M C 2.303 178.737 176.300 0.223 0.000 1.063 347 M CA 1.044 56.568 55.300 0.372 0.000 1.110 347 M CB -0.231 32.580 32.600 0.352 0.000 1.374 347 M HN 0.150 nan 8.290 nan 0.000 0.411 348 N N 0.767 119.584 118.700 0.196 0.000 2.250 348 N HA -0.086 4.654 4.740 -0.000 0.000 0.181 348 N C 1.161 176.713 175.510 0.069 0.000 1.017 348 N CA 1.281 54.405 53.050 0.125 0.000 0.866 348 N CB -0.533 38.026 38.487 0.120 0.000 0.985 348 N HN 0.482 nan 8.380 nan 0.000 0.429 349 N N -0.502 118.225 118.700 0.046 0.000 2.336 349 N HA 0.098 4.837 4.740 -0.000 0.000 0.189 349 N C 0.978 176.477 175.510 -0.019 0.000 1.113 349 N CA 0.849 53.902 53.050 0.005 0.000 0.858 349 N CB 0.182 38.664 38.487 -0.009 0.000 0.970 349 N HN 0.159 nan 8.380 nan 0.000 0.471 350 G N -1.410 107.382 108.800 -0.013 0.000 2.179 350 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.220 350 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.220 350 G C 0.975 175.833 174.900 -0.070 0.000 0.990 350 G CA 0.470 45.560 45.100 -0.017 0.000 0.646 350 G HN 0.344 nan 8.290 nan 0.000 0.517 351 T N 0.411 114.846 114.554 -0.198 0.000 2.708 351 T HA 0.082 4.431 4.350 -0.000 0.000 0.266 351 T C 0.968 175.434 174.700 -0.390 0.000 1.037 351 T CA 1.236 63.089 62.100 -0.411 0.000 1.146 351 T CB -0.168 68.227 68.868 -0.788 0.000 0.865 351 T HN 0.356 nan 8.240 nan 0.000 0.435 352 F N 1.914 121.893 119.950 0.049 0.000 2.390 352 F HA 0.282 4.808 4.527 -0.000 0.000 0.361 352 F C 1.631 177.465 175.800 0.057 0.000 1.124 352 F CA -0.921 57.114 58.000 0.059 0.000 1.149 352 F CB 0.843 39.872 39.000 0.048 0.000 1.160 352 F HN -0.055 nan 8.300 nan 0.000 0.501 353 T N 3.659 118.347 114.554 0.224 0.000 2.777 353 T HA -0.045 4.305 4.350 -0.000 0.000 0.266 353 T C 0.645 175.399 174.700 0.091 0.000 1.040 353 T CA 1.194 63.362 62.100 0.113 0.000 1.141 353 T CB -0.182 68.728 68.868 0.069 0.000 0.868 353 T HN 0.555 nan 8.240 nan 0.000 0.444 354 I N -2.490 118.162 120.570 0.137 0.000 3.074 354 I HA 0.758 4.928 4.170 -0.000 0.000 0.310 354 I C -1.722 174.467 176.117 0.120 0.000 1.153 354 I CA -1.585 59.784 61.300 0.114 0.000 0.993 354 I CB 2.480 40.545 38.000 0.109 0.000 1.237 354 I HN -0.337 nan 8.210 nan 0.000 0.443 355 V N 2.441 122.413 119.914 0.097 0.000 2.483 355 V HA 0.812 4.932 4.120 -0.000 0.000 0.297 355 V C 0.415 176.566 176.094 0.095 0.000 1.027 355 V CA -0.057 62.281 62.300 0.063 0.000 0.855 355 V CB 1.180 33.022 31.823 0.030 0.000 0.995 355 V HN 1.065 nan 8.190 nan 0.000 0.424 356 G N 2.136 111.004 108.800 0.113 0.000 3.013 356 G HA2 0.563 4.522 3.960 -0.000 0.000 0.278 356 G HA3 0.563 4.522 3.960 -0.000 0.000 0.278 356 G C 0.624 175.589 174.900 0.108 0.000 1.353 356 G CA 0.246 45.436 45.100 0.150 0.000 1.043 356 G HN 0.749 nan 8.290 nan 0.000 0.523 357 S N -1.638 114.143 115.700 0.135 0.000 2.497 357 S HA 0.104 4.574 4.470 -0.000 0.000 0.218 357 S C 0.781 175.438 174.600 0.095 0.000 1.023 357 S CA 1.069 59.337 58.200 0.112 0.000 0.913 357 S CB 0.116 63.411 63.200 0.159 0.000 0.800 357 S HN 0.724 nan 8.310 nan 0.000 0.505 358 D N 1.726 122.184 120.400 0.098 0.000 2.689 358 D HA -0.249 4.391 4.640 -0.000 0.000 0.237 358 D C -0.201 176.256 176.300 0.262 0.000 1.148 358 D CA 0.651 54.690 54.000 0.065 0.000 0.656 358 D CB -2.399 38.326 40.800 -0.125 0.000 1.050 358 D HN 0.844 nan 8.370 nan 0.000 0.426 359 H N 0.244 119.441 119.070 0.211 0.000 3.107 359 H HA 0.325 4.881 4.556 -0.000 0.000 0.301 359 H C -0.511 174.946 175.328 0.214 0.000 0.981 359 H CA 0.824 56.970 56.048 0.163 0.000 1.443 359 H CB 0.295 30.134 29.762 0.129 0.000 1.479 359 H HN 0.276 nan 8.280 nan 0.000 0.564 360 C N 5.739 124.884 119.300 -0.259 0.000 2.982 360 C HA 0.352 4.812 4.460 -0.000 0.000 0.372 360 C C -1.087 173.627 174.990 -0.461 0.000 1.061 360 C CA -0.494 58.386 59.018 -0.231 0.000 1.309 360 C CB -0.474 27.262 27.740 -0.008 0.000 1.766 360 C HN 0.900 nan 8.230 nan 0.000 0.504 361 S N 4.599 119.905 115.700 -0.657 0.000 2.437 361 S HA 0.771 5.240 4.470 -0.000 0.000 0.305 361 S C -1.341 172.837 174.600 -0.703 0.000 1.109 361 S CA -0.292 57.562 58.200 -0.577 0.000 1.099 361 S CB 0.766 63.671 63.200 -0.492 0.000 1.004 361 S HN 0.693 nan 8.310 nan 0.000 0.475 362 Y N 0.930 121.236 120.300 0.011 0.000 2.442 362 Y HA 0.382 4.932 4.550 -0.000 0.000 0.344 362 Y C 0.345 176.355 175.900 0.183 0.000 0.976 362 Y CA -1.237 56.909 58.100 0.076 0.000 1.040 362 Y CB 1.175 39.678 38.460 0.071 0.000 1.228 362 Y HN 0.481 nan 8.280 nan 0.000 0.451 363 N N 1.203 120.076 118.700 0.288 0.000 2.479 363 N HA -0.058 4.682 4.740 -0.000 0.000 0.257 363 N C -0.057 175.636 175.510 0.304 0.000 1.232 363 N CA 0.293 53.516 53.050 0.287 0.000 0.920 363 N CB 0.685 39.284 38.487 0.188 0.000 1.105 363 N HN 0.819 nan 8.380 nan 0.000 0.444 364 Y N 0.702 121.081 120.300 0.131 0.000 2.581 364 Y HA 0.180 4.729 4.550 -0.000 0.000 0.271 364 Y C 0.895 176.721 175.900 -0.123 0.000 1.100 364 Y CA 0.499 58.538 58.100 -0.102 0.000 1.281 364 Y CB 0.180 38.273 38.460 -0.611 0.000 1.237 364 Y HN 0.559 nan 8.280 nan 0.000 0.514 365 Y N 1.034 121.419 120.300 0.142 0.000 2.466 365 Y HA 0.154 4.704 4.550 -0.000 0.000 0.272 365 Y C -0.052 175.814 175.900 -0.056 0.000 1.169 365 Y CA -0.091 58.032 58.100 0.039 0.000 1.285 365 Y CB 0.187 38.717 38.460 0.118 0.000 1.078 365 Y HN 0.119 nan 8.280 nan 0.000 0.523 366 E N -0.756 119.471 120.200 0.046 0.000 2.199 366 E HA 0.372 4.722 4.350 -0.000 0.000 0.269 366 E C -0.361 176.165 176.600 -0.124 0.000 0.899 366 E CA -0.770 55.607 56.400 -0.039 0.000 0.772 366 E CB 1.600 31.313 29.700 0.021 0.000 1.155 366 E HN 0.008 nan 8.360 nan 0.000 0.408 367 K N 1.238 121.495 120.400 -0.239 0.000 2.360 367 K HA 0.057 4.377 4.320 -0.000 0.000 0.196 367 K C 0.925 177.452 176.600 -0.121 0.000 1.049 367 K CA 0.855 56.936 56.287 -0.344 0.000 1.049 367 K CB 0.666 32.787 32.500 -0.631 0.000 0.881 367 K HN 0.744 nan 8.250 nan 0.000 0.542 368 T N -1.563 112.945 114.554 -0.078 0.000 3.040 368 T HA 0.003 4.352 4.350 -0.000 0.000 0.252 368 T C 1.267 175.964 174.700 -0.005 0.000 1.064 368 T CA -0.119 61.955 62.100 -0.043 0.000 1.110 368 T CB 0.053 68.893 68.868 -0.047 0.000 0.921 368 T HN 0.060 nan 8.240 nan 0.000 0.480 369 S N 2.034 117.743 115.700 0.015 0.000 2.614 369 S HA 0.242 4.712 4.470 -0.000 0.000 0.265 369 S C 1.584 176.215 174.600 0.052 0.000 1.303 369 S CA 0.118 58.338 58.200 0.034 0.000 1.000 369 S CB 1.001 64.228 63.200 0.044 0.000 0.935 369 S HN 0.463 nan 8.310 nan 0.000 0.551 370 T N -1.510 113.076 114.554 0.053 0.000 3.007 370 T HA 0.107 4.457 4.350 -0.000 0.000 0.270 370 T C 1.273 176.033 174.700 0.100 0.000 1.107 370 T CA 0.679 62.815 62.100 0.059 0.000 1.118 370 T CB -0.509 68.389 68.868 0.050 0.000 0.889 370 T HN 0.919 nan 8.240 nan 0.000 0.506 371 A N 0.785 123.682 122.820 0.129 0.000 2.460 371 A HA 0.572 4.892 4.320 -0.000 0.000 0.258 371 A C 1.063 178.803 177.584 0.260 0.000 1.300 371 A CA -0.412 51.756 52.037 0.219 0.000 0.913 371 A CB -0.129 18.966 19.000 0.158 0.000 1.031 371 A HN 0.416 nan 8.150 nan 0.000 0.512 372 S N -0.275 115.535 115.700 0.183 0.000 2.586 372 S HA 0.280 4.750 4.470 -0.000 0.000 0.274 372 S C 1.176 175.884 174.600 0.180 0.000 1.281 372 S CA -0.603 57.716 58.200 0.199 0.000 1.035 372 S CB 0.636 63.934 63.200 0.163 0.000 0.962 372 S HN 0.332 nan 8.310 nan 0.000 0.512 373 K N 2.212 122.735 120.400 0.204 0.000 2.152 373 K HA -0.095 4.225 4.320 -0.000 0.000 0.206 373 K C 1.399 178.116 176.600 0.195 0.000 1.048 373 K CA 1.433 57.793 56.287 0.121 0.000 0.933 373 K CB -0.454 32.102 32.500 0.094 0.000 0.721 373 K HN 0.710 nan 8.250 nan 0.000 0.447 374 H N -0.013 119.186 119.070 0.215 0.000 2.563 374 H HA 0.026 4.582 4.556 -0.001 0.000 0.272 374 H C 1.946 177.338 175.328 0.107 0.000 1.005 374 H CA 0.199 56.336 56.048 0.149 0.000 1.171 374 H CB 0.113 29.839 29.762 -0.059 0.000 1.351 374 H HN 0.178 nan 8.280 nan 0.000 0.602 375 R N 1.418 122.005 120.500 0.145 0.000 2.204 375 R HA -0.182 4.158 4.340 -0.000 0.000 0.253 375 R C 2.099 178.393 176.300 -0.011 0.000 1.172 375 R CA 1.128 57.256 56.100 0.046 0.000 0.994 375 R CB -0.106 30.196 30.300 0.002 0.000 0.874 375 R HN 0.285 nan 8.270 nan 0.000 0.462 376 A N 0.070 122.885 122.820 -0.009 0.000 2.121 376 A HA -0.060 4.259 4.320 -0.000 0.000 0.218 376 A C 0.367 177.721 177.584 -0.383 0.000 1.154 376 A CA 0.593 52.549 52.037 -0.135 0.000 0.679 376 A CB -0.137 18.828 19.000 -0.058 0.000 0.795 376 A HN 0.226 nan 8.150 nan 0.000 0.458 377 F N 0.285 120.127 119.950 -0.180 0.000 2.350 377 F HA 0.449 4.975 4.527 -0.001 0.000 0.365 377 F C 0.097 175.801 175.800 -0.159 0.000 1.122 377 F CA -0.714 57.174 58.000 -0.188 0.000 1.139 377 F CB 1.018 39.888 39.000 -0.217 0.000 1.220 377 F HN 0.011 nan 8.300 nan 0.000 0.499 378 D N 5.389 125.756 120.400 -0.055 0.000 2.668 378 D HA 0.242 4.882 4.640 -0.000 0.000 0.247 378 D C -2.142 174.098 176.300 -0.101 0.000 1.268 378 D CA -1.945 52.005 54.000 -0.083 0.000 0.842 378 D CB 1.150 41.866 40.800 -0.139 0.000 1.399 378 D HN 0.058 nan 8.370 nan 0.000 0.530 379 P HA -0.146 nan 4.420 nan 0.000 0.217 379 P C 0.794 178.055 177.300 -0.066 0.000 1.148 379 P CA 1.210 64.280 63.100 -0.050 0.000 0.834 379 P CB 0.455 32.141 31.700 -0.023 0.000 0.783 380 E N -1.245 118.915 120.200 -0.066 0.000 2.208 380 E HA -0.079 4.271 4.350 -0.000 0.000 0.193 380 E C 0.873 177.426 176.600 -0.079 0.000 0.988 380 E CA 0.755 57.117 56.400 -0.062 0.000 0.828 380 E CB -0.534 29.135 29.700 -0.052 0.000 0.763 380 E HN 0.279 nan 8.360 nan 0.000 0.478 381 N N 0.710 119.342 118.700 -0.113 0.000 2.279 381 N HA 0.073 4.812 4.740 -0.000 0.000 0.226 381 N C -0.919 174.479 175.510 -0.187 0.000 1.126 381 N CA -0.068 52.898 53.050 -0.141 0.000 0.846 381 N CB 0.412 38.801 38.487 -0.164 0.000 1.050 381 N HN -0.016 nan 8.380 nan 0.000 0.502 382 N N 0.250 118.859 118.700 -0.153 0.000 2.740 382 N HA -0.209 4.530 4.740 -0.000 0.000 0.248 382 N C -1.124 174.231 175.510 -0.258 0.000 1.062 382 N CA 0.923 53.886 53.050 -0.145 0.000 0.704 382 N CB -1.053 37.382 38.487 -0.088 0.000 0.968 382 N HN 0.405 nan 8.380 nan 0.000 0.547 383 K N 0.466 120.655 120.400 -0.351 0.000 2.358 383 K HA 0.367 4.686 4.320 -0.000 0.000 0.260 383 K C -0.116 176.320 176.600 -0.273 0.000 0.956 383 K CA -0.595 55.364 56.287 -0.547 0.000 0.834 383 K CB 1.129 33.178 32.500 -0.752 0.000 1.102 383 K HN 0.094 nan 8.250 nan 0.000 0.431 384 N N 1.956 120.535 118.700 -0.202 0.000 2.553 384 N HA 0.097 4.837 4.740 -0.000 0.000 0.298 384 N C 0.271 175.487 175.510 -0.490 0.000 1.596 384 N CA 0.116 53.056 53.050 -0.183 0.000 0.910 384 N CB 1.563 40.032 38.487 -0.031 0.000 1.336 384 N HN 1.006 nan 8.380 nan 0.000 0.497 385 G N 1.063 109.297 108.800 -0.944 0.000 2.148 385 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.254 385 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.254 385 G C -0.040 174.678 174.900 -0.303 0.000 0.981 385 G CA 0.029 44.351 45.100 -1.297 0.000 0.670 385 G HN 0.384 nan 8.290 nan 0.000 0.528 386 E N -0.404 119.728 120.200 -0.114 0.000 2.415 386 E HA 0.396 4.746 4.350 -0.000 0.000 0.262 386 E C 1.415 177.945 176.600 -0.117 0.000 1.038 386 E CA 0.039 56.381 56.400 -0.097 0.000 0.921 386 E CB 0.034 29.602 29.700 -0.219 0.000 0.950 386 E HN 0.521 nan 8.360 nan 0.000 0.438 387 F N 2.128 122.073 119.950 -0.008 0.000 2.202 387 F HA -0.178 4.348 4.527 -0.000 0.000 0.301 387 F C 2.004 177.752 175.800 -0.087 0.000 1.082 387 F CA 1.202 59.194 58.000 -0.013 0.000 1.313 387 F CB -0.274 38.759 39.000 0.055 0.000 1.024 387 F HN 0.372 nan 8.300 nan 0.000 0.495 388 R N 0.188 120.254 120.500 -0.723 0.000 2.117 388 R HA -0.222 4.118 4.340 -0.000 0.000 0.243 388 R C 1.496 177.549 176.300 -0.412 0.000 1.143 388 R CA 2.111 57.847 56.100 -0.607 0.000 0.968 388 R CB -0.819 28.889 30.300 -0.987 0.000 0.863 388 R HN 0.531 nan 8.270 nan 0.000 0.444 389 Y N 0.050 120.257 120.300 -0.155 0.000 2.466 389 Y HA 0.234 4.783 4.550 -0.001 0.000 0.272 389 Y C 0.503 176.340 175.900 -0.104 0.000 1.169 389 Y CA -0.731 57.289 58.100 -0.132 0.000 1.285 389 Y CB 0.411 38.767 38.460 -0.174 0.000 1.078 389 Y HN -0.075 nan 8.280 nan 0.000 0.523 390 I N 4.642 125.234 120.570 0.036 0.000 2.452 390 I HA 0.068 4.237 4.170 -0.000 0.000 0.287 390 I C -2.092 173.950 176.117 -0.124 0.000 1.079 390 I CA -2.083 59.209 61.300 -0.014 0.000 1.387 390 I CB 0.520 38.486 38.000 -0.058 0.000 1.404 390 I HN -0.149 nan 8.210 nan 0.000 0.522 391 P HA 0.002 nan 4.420 nan 0.000 0.266 391 P C -0.926 176.177 177.300 -0.328 0.000 1.215 391 P CA 0.187 62.983 63.100 -0.506 0.000 0.763 391 P CB 0.169 31.141 31.700 -1.213 0.000 0.806 392 N N 2.021 120.646 118.700 -0.125 0.000 2.458 392 N HA 0.484 5.224 4.740 -0.000 0.000 0.270 392 N C 0.374 175.980 175.510 0.161 0.000 1.102 392 N CA -0.049 53.006 53.050 0.008 0.000 0.967 392 N CB 0.759 39.301 38.487 0.092 0.000 1.078 392 N HN 0.586 nan 8.380 nan 0.000 0.471 393 G N 1.354 110.234 108.800 0.134 0.000 2.352 393 G HA2 0.185 4.145 3.960 -0.000 0.000 0.303 393 G HA3 0.185 4.145 3.960 -0.000 0.000 0.303 393 G C -1.661 173.281 174.900 0.069 0.000 1.593 393 G CA -0.905 44.270 45.100 0.126 0.000 0.963 393 G HN 0.351 nan 8.290 nan 0.000 0.685 394 L N 0.559 121.775 121.223 -0.013 0.000 2.354 394 L HA 0.610 4.950 4.340 -0.000 0.000 0.269 394 L C -2.427 174.345 176.870 -0.164 0.000 1.005 394 L CA -2.440 52.354 54.840 -0.077 0.000 0.819 394 L CB 2.639 44.646 42.059 -0.086 0.000 1.311 394 L HN 0.256 nan 8.230 nan 0.000 0.423 395 P HA 0.172 nan 4.420 nan 0.000 0.271 395 P C 0.370 177.749 177.300 0.131 0.000 1.220 395 P CA 0.143 63.131 63.100 -0.186 0.000 0.768 395 P CB 1.004 32.598 31.700 -0.177 0.000 0.848 396 G N 1.306 110.343 108.800 0.395 0.000 3.912 396 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.203 396 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.203 396 G C 0.893 175.944 174.900 0.252 0.000 1.112 396 G CA 0.084 45.385 45.100 0.333 0.000 0.871 396 G HN 0.429 nan 8.290 nan 0.000 0.549 397 V N 0.593 120.658 119.914 0.252 0.000 2.490 397 V HA -0.140 3.980 4.120 -0.000 0.000 0.250 397 V C 2.588 178.651 176.094 -0.052 0.000 1.061 397 V CA 2.592 64.870 62.300 -0.036 0.000 1.064 397 V CB -0.168 31.416 31.823 -0.397 0.000 0.670 397 V HN 0.524 nan 8.190 nan 0.000 0.461 398 C N 0.614 119.908 119.300 -0.010 0.000 2.489 398 C HA -0.098 4.361 4.460 -0.000 0.000 0.279 398 C C 3.056 178.017 174.990 -0.049 0.000 1.266 398 C CA 1.780 60.773 59.018 -0.042 0.000 1.707 398 C CB -1.183 26.565 27.740 0.015 0.000 2.059 398 C HN 0.752 nan 8.230 nan 0.000 0.481 399 T N -0.984 113.606 114.554 0.061 0.000 3.072 399 T HA -0.075 4.274 4.350 -0.000 0.000 0.266 399 T C 1.906 176.565 174.700 -0.068 0.000 1.127 399 T CA 0.914 63.032 62.100 0.029 0.000 1.107 399 T CB -0.602 68.299 68.868 0.056 0.000 0.910 399 T HN 0.679 nan 8.240 nan 0.000 0.513 400 R N 0.500 120.978 120.500 -0.037 0.000 2.080 400 R HA -0.084 4.255 4.340 -0.000 0.000 0.236 400 R C 2.290 178.598 176.300 0.013 0.000 1.137 400 R CA 1.605 57.695 56.100 -0.017 0.000 0.943 400 R CB -0.284 30.025 30.300 0.014 0.000 0.846 400 R HN 0.313 nan 8.270 nan 0.000 0.431 401 M N -0.275 119.332 119.600 0.011 0.000 2.098 401 M HA -0.030 4.450 4.480 -0.000 0.000 0.262 401 M C -0.678 175.773 176.300 0.251 0.000 1.072 401 M CA 1.365 56.750 55.300 0.142 0.000 1.133 401 M CB -1.450 31.250 32.600 0.166 0.000 1.344 401 M HN 0.040 nan 8.290 nan 0.000 0.414 402 P HA -0.080 nan 4.420 nan 0.000 0.217 402 P C 1.866 179.310 177.300 0.239 0.000 1.150 402 P CA 1.068 64.292 63.100 0.208 0.000 0.832 402 P CB -0.177 31.445 31.700 -0.130 0.000 0.787 403 L N -1.347 119.968 121.223 0.153 0.000 2.046 403 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 403 L C 2.364 179.413 176.870 0.297 0.000 1.077 403 L CA 1.370 56.322 54.840 0.186 0.000 0.747 403 L CB -0.765 41.248 42.059 -0.077 0.000 0.896 403 L HN -0.009 nan 8.230 nan 0.000 0.432 404 L N -2.074 119.290 121.223 0.235 0.000 2.179 404 L HA -0.214 4.125 4.340 -0.000 0.000 0.208 404 L C 2.495 179.481 176.870 0.193 0.000 1.096 404 L CA 1.096 56.103 54.840 0.278 0.000 0.779 404 L CB -0.642 41.545 42.059 0.213 0.000 0.922 404 L HN 0.260 nan 8.230 nan 0.000 0.443 405 Y N 1.320 121.622 120.300 0.003 0.000 2.097 405 Y HA -0.343 4.207 4.550 -0.000 0.000 0.282 405 Y C 2.562 178.454 175.900 -0.014 0.000 1.152 405 Y CA 2.203 60.222 58.100 -0.135 0.000 1.136 405 Y CB 0.057 38.215 38.460 -0.503 0.000 0.975 405 Y HN 0.218 nan 8.280 nan 0.000 0.498 406 D N -0.923 119.659 120.400 0.305 0.000 2.092 406 D HA -0.217 4.423 4.640 -0.000 0.000 0.203 406 D C 1.916 178.180 176.300 -0.060 0.000 0.978 406 D CA 1.865 55.933 54.000 0.114 0.000 0.861 406 D CB -0.817 40.022 40.800 0.065 0.000 1.005 406 D HN 0.394 nan 8.370 nan 0.000 0.450 407 Y N 0.392 120.728 120.300 0.060 0.000 2.421 407 Y HA 0.093 4.642 4.550 -0.000 0.000 0.292 407 Y C 2.281 178.034 175.900 -0.244 0.000 1.136 407 Y CA 1.059 59.153 58.100 -0.009 0.000 1.255 407 Y CB -0.299 38.255 38.460 0.157 0.000 0.991 407 Y HN 0.103 nan 8.280 nan 0.000 0.552 408 G N -1.115 107.682 108.800 -0.005 0.000 2.610 408 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.215 408 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.215 408 G C 1.371 176.144 174.900 -0.212 0.000 1.243 408 G CA 0.677 45.646 45.100 -0.218 0.000 0.847 408 G HN 0.376 nan 8.290 nan 0.000 0.560 409 Y N 1.137 121.279 120.300 -0.264 0.000 2.130 409 Y HA 0.130 4.680 4.550 -0.000 0.000 0.287 409 Y C 2.555 178.281 175.900 -0.290 0.000 1.124 409 Y CA 1.329 59.227 58.100 -0.337 0.000 1.118 409 Y CB -0.562 37.570 38.460 -0.547 0.000 0.994 409 Y HN 0.070 nan 8.280 nan 0.000 0.497 410 L N 0.166 120.950 121.223 -0.732 0.000 2.046 410 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 410 L C 2.390 178.994 176.870 -0.443 0.000 1.077 410 L CA 1.641 56.073 54.840 -0.680 0.000 0.747 410 L CB -0.376 41.500 42.059 -0.304 0.000 0.896 410 L HN 0.169 nan 8.230 nan 0.000 0.432 411 R N -0.486 119.805 120.500 -0.349 0.000 2.310 411 R HA 0.112 4.451 4.340 -0.000 0.000 0.202 411 R C 1.141 177.271 176.300 -0.283 0.000 0.933 411 R CA 0.584 56.514 56.100 -0.283 0.000 1.054 411 R CB 0.274 30.419 30.300 -0.259 0.000 0.985 411 R HN 0.457 nan 8.270 nan 0.000 0.489 412 G N 1.107 109.714 108.800 -0.322 0.000 2.136 412 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.242 412 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.242 412 G C 0.499 175.221 174.900 -0.297 0.000 0.989 412 G CA 0.200 45.139 45.100 -0.268 0.000 0.682 412 G HN 0.321 nan 8.290 nan 0.000 0.522 413 N N -0.524 117.889 118.700 -0.479 0.000 2.376 413 N HA 0.095 4.835 4.740 -0.000 0.000 0.177 413 N C 1.105 176.368 175.510 -0.411 0.000 1.024 413 N CA 0.591 53.217 53.050 -0.706 0.000 0.893 413 N CB 0.285 37.730 38.487 -1.737 0.000 0.980 413 N HN 0.471 nan 8.380 nan 0.000 0.439 414 L N 0.812 121.875 121.223 -0.268 0.000 2.334 414 L HA 0.172 4.512 4.340 -0.000 0.000 0.275 414 L C 1.875 178.729 176.870 -0.027 0.000 1.036 414 L CA -0.337 54.490 54.840 -0.022 0.000 0.807 414 L CB 1.770 43.866 42.059 0.062 0.000 1.231 414 L HN 0.066 nan 8.230 nan 0.000 0.438 415 T N -2.350 112.211 114.554 0.011 0.000 2.857 415 T HA -0.020 4.330 4.350 -0.000 0.000 0.266 415 T C 0.709 175.418 174.700 0.016 0.000 1.048 415 T CA 0.811 62.914 62.100 0.004 0.000 1.139 415 T CB -0.002 68.873 68.868 0.011 0.000 0.874 415 T HN 0.663 nan 8.240 nan 0.000 0.455 416 S N -1.234 114.470 115.700 0.006 0.000 2.643 416 S HA 0.562 5.032 4.470 -0.000 0.000 0.270 416 S C 0.569 175.061 174.600 -0.181 0.000 1.166 416 S CA -0.996 57.185 58.200 -0.032 0.000 0.815 416 S CB 1.124 64.291 63.200 -0.055 0.000 1.139 416 S HN -0.090 nan 8.310 nan 0.000 0.472 417 M N 0.419 119.738 119.600 -0.470 0.000 2.296 417 M HA 0.072 4.552 4.480 -0.000 0.000 0.265 417 M C 1.917 177.987 176.300 -0.383 0.000 1.064 417 M CA 1.532 56.403 55.300 -0.715 0.000 1.109 417 M CB -1.426 30.443 32.600 -1.218 0.000 1.396 417 M HN 0.759 nan 8.290 nan 0.000 0.430 418 M N -0.470 118.987 119.600 -0.240 0.000 2.117 418 M HA -0.220 4.260 4.480 -0.000 0.000 0.262 418 M C 2.086 178.338 176.300 -0.081 0.000 1.065 418 M CA 1.511 56.736 55.300 -0.126 0.000 1.114 418 M CB -0.406 32.151 32.600 -0.070 0.000 1.361 418 M HN -0.010 nan 8.290 nan 0.000 0.408 419 K N 1.236 121.596 120.400 -0.067 0.000 2.026 419 K HA -0.126 4.194 4.320 -0.000 0.000 0.208 419 K C 1.673 178.265 176.600 -0.013 0.000 1.048 419 K CA 1.441 57.717 56.287 -0.019 0.000 0.929 419 K CB -0.802 31.704 32.500 0.010 0.000 0.713 419 K HN 0.330 nan 8.250 nan 0.000 0.439 420 L N -0.016 121.172 121.223 -0.059 0.000 1.990 420 L HA -0.213 4.127 4.340 -0.000 0.000 0.213 420 L C 1.981 178.832 176.870 -0.031 0.000 1.072 420 L CA 1.719 56.528 54.840 -0.051 0.000 0.755 420 L CB -0.375 41.588 42.059 -0.161 0.000 0.889 420 L HN 0.064 nan 8.230 nan 0.000 0.432 421 V N -0.060 119.814 119.914 -0.066 0.000 2.407 421 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 421 V C 2.496 178.595 176.094 0.008 0.000 1.055 421 V CA 2.053 64.341 62.300 -0.019 0.000 1.049 421 V CB -0.658 31.145 31.823 -0.034 0.000 0.662 421 V HN 0.574 nan 8.190 nan 0.000 0.455 422 E N 0.563 120.762 120.200 -0.001 0.000 2.038 422 E HA -0.245 4.105 4.350 -0.000 0.000 0.195 422 E C 2.156 178.768 176.600 0.020 0.000 1.000 422 E CA 2.259 58.663 56.400 0.007 0.000 0.803 422 E CB -0.134 29.568 29.700 0.003 0.000 0.750 422 E HN 0.771 nan 8.360 nan 0.000 0.448 423 I N -2.216 118.377 120.570 0.038 0.000 3.030 423 I HA -0.065 4.105 4.170 -0.000 0.000 0.270 423 I C 1.683 177.839 176.117 0.065 0.000 1.211 423 I CA 0.623 61.958 61.300 0.059 0.000 1.479 423 I CB -0.125 37.929 38.000 0.090 0.000 1.105 423 I HN 0.030 nan 8.210 nan 0.000 0.447 424 Q N 0.343 120.180 119.800 0.060 0.000 2.391 424 Q HA 0.107 4.447 4.340 -0.000 0.000 0.211 424 Q C 1.701 177.743 176.000 0.070 0.000 0.908 424 Q CA 0.970 56.815 55.803 0.070 0.000 0.920 424 Q CB 0.940 29.724 28.738 0.076 0.000 1.056 424 Q HN 0.661 nan 8.270 nan 0.000 0.523 425 C N -1.397 117.941 119.300 0.063 0.000 2.726 425 C HA 0.128 4.588 4.460 -0.000 0.000 0.380 425 C C 2.525 177.558 174.990 0.072 0.000 1.691 425 C CA 0.230 59.288 59.018 0.068 0.000 2.388 425 C CB -0.130 27.652 27.740 0.070 0.000 2.227 425 C HN 0.361 nan 8.230 nan 0.000 0.647 426 T N 2.105 116.694 114.554 0.059 0.000 2.770 426 T HA -0.074 4.276 4.350 -0.000 0.000 0.258 426 T C 1.521 176.221 174.700 -0.000 0.000 1.039 426 T CA 1.466 63.602 62.100 0.059 0.000 1.143 426 T CB -0.407 68.487 68.868 0.044 0.000 0.866 426 T HN 0.333 nan 8.240 nan 0.000 0.428 427 N N 1.667 120.347 118.700 -0.034 0.000 2.120 427 N HA -0.034 4.705 4.740 -0.000 0.000 0.188 427 N C -1.061 174.395 175.510 -0.090 0.000 1.024 427 N CA 1.043 54.033 53.050 -0.101 0.000 0.852 427 N CB -1.499 36.930 38.487 -0.096 0.000 1.003 427 N HN 0.311 nan 8.380 nan 0.000 0.424 428 P HA -0.116 nan 4.420 nan 0.000 0.216 428 P C 1.051 178.427 177.300 0.127 0.000 1.153 428 P CA 1.732 64.896 63.100 0.107 0.000 0.858 428 P CB -0.070 31.717 31.700 0.146 0.000 0.789 429 A N -0.447 122.433 122.820 0.099 0.000 1.898 429 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 429 A C 2.136 179.787 177.584 0.112 0.000 1.181 429 A CA 1.741 53.861 52.037 0.139 0.000 0.620 429 A CB -0.994 18.128 19.000 0.203 0.000 0.819 429 A HN 0.127 nan 8.150 nan 0.000 0.442 430 K N -0.866 119.530 120.400 -0.006 0.000 2.025 430 K HA -0.027 4.293 4.320 -0.000 0.000 0.207 430 K C 1.802 178.196 176.600 -0.342 0.000 1.049 430 K CA 1.278 57.477 56.287 -0.147 0.000 0.933 430 K CB -0.371 31.932 32.500 -0.327 0.000 0.714 430 K HN 0.235 nan 8.250 nan 0.000 0.438 431 V N 0.397 120.054 119.914 -0.428 0.000 2.809 431 V HA -0.155 3.964 4.120 -0.000 0.000 0.256 431 V C 0.481 176.223 176.094 -0.588 0.000 1.080 431 V CA 1.360 63.281 62.300 -0.632 0.000 1.102 431 V CB -0.168 31.186 31.823 -0.781 0.000 0.705 431 V HN 0.287 nan 8.190 nan 0.000 0.475 432 Y N -0.294 119.947 120.300 -0.098 0.000 2.720 432 Y HA 0.476 5.026 4.550 -0.000 0.000 0.277 432 Y C 1.552 177.422 175.900 -0.050 0.000 1.144 432 Y CA 0.165 58.233 58.100 -0.052 0.000 1.221 432 Y CB 0.455 38.911 38.460 -0.007 0.000 1.163 432 Y HN 0.245 nan 8.280 nan 0.000 0.537 433 G N 0.926 109.761 108.800 0.058 0.000 2.225 433 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.267 433 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.267 433 G C 0.567 175.518 174.900 0.084 0.000 1.024 433 G CA 0.741 45.887 45.100 0.076 0.000 0.784 433 G HN 0.518 nan 8.290 nan 0.000 0.507 434 M N -1.301 118.361 119.600 0.103 0.000 2.333 434 M HA 0.318 4.798 4.480 -0.000 0.000 0.257 434 M C 0.614 176.976 176.300 0.104 0.000 1.078 434 M CA -0.248 55.091 55.300 0.064 0.000 1.005 434 M CB 0.570 33.190 32.600 0.033 0.000 1.444 434 M HN 0.309 nan 8.290 nan 0.000 0.496 435 Y N 2.528 122.856 120.300 0.047 0.000 2.310 435 Y HA 0.313 4.863 4.550 -0.000 0.000 0.326 435 Y C -1.631 174.301 175.900 0.053 0.000 1.151 435 Y CA -1.737 56.401 58.100 0.063 0.000 1.195 435 Y CB 1.003 39.540 38.460 0.128 0.000 1.210 435 Y HN -0.011 nan 8.280 nan 0.000 0.483 436 P HA -0.029 nan 4.420 nan 0.000 0.261 436 P C 0.811 177.845 177.300 -0.443 0.000 1.268 436 P CA 0.491 62.920 63.100 -1.119 0.000 0.833 436 P CB 0.299 31.416 31.700 -0.972 0.000 1.231 437 Q N 0.572 120.234 119.800 -0.229 0.000 2.152 437 Q HA -0.143 4.196 4.340 -0.000 0.000 0.206 437 Q C 0.049 175.994 176.000 -0.092 0.000 0.985 437 Q CA 1.367 57.091 55.803 -0.132 0.000 0.863 437 Q CB 0.068 28.751 28.738 -0.092 0.000 0.904 437 Q HN 0.114 nan 8.270 nan 0.000 0.422 438 K N -2.504 117.862 120.400 -0.057 0.000 2.340 438 K HA 0.495 4.815 4.320 -0.000 0.000 0.244 438 K C -0.090 176.555 176.600 0.075 0.000 0.973 438 K CA 0.315 56.604 56.287 0.002 0.000 0.828 438 K CB 1.920 34.427 32.500 0.011 0.000 1.226 438 K HN 0.125 nan 8.250 nan 0.000 0.437 439 G N -0.163 108.687 108.800 0.084 0.000 2.234 439 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.235 439 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.235 439 G C 0.117 175.099 174.900 0.136 0.000 0.997 439 G CA 0.330 45.510 45.100 0.132 0.000 0.623 439 G HN 0.527 nan 8.290 nan 0.000 0.514 440 S N -1.248 114.519 115.700 0.112 0.000 2.851 440 S HA 0.796 5.266 4.470 -0.000 0.000 0.313 440 S C -0.575 174.055 174.600 0.051 0.000 1.163 440 S CA -0.509 57.754 58.200 0.105 0.000 0.850 440 S CB 1.487 64.785 63.200 0.162 0.000 1.245 440 S HN 0.516 nan 8.310 nan 0.000 0.558 441 I N 2.050 122.649 120.570 0.050 0.000 2.750 441 I HA 0.343 4.513 4.170 -0.000 0.000 0.279 441 I C -1.550 174.580 176.117 0.022 0.000 1.206 441 I CA 0.048 61.363 61.300 0.026 0.000 1.101 441 I CB 0.184 38.201 38.000 0.028 0.000 1.431 441 I HN 0.153 nan 8.210 nan 0.000 0.551 442 L N 5.482 126.702 121.223 -0.005 0.000 2.316 442 L HA 0.521 4.861 4.340 -0.000 0.000 0.280 442 L C -2.472 174.380 176.870 -0.030 0.000 1.006 442 L CA -1.953 52.878 54.840 -0.015 0.000 0.836 442 L CB 1.026 43.060 42.059 -0.042 0.000 1.221 442 L HN 0.100 nan 8.230 nan 0.000 0.418 443 P HA 0.029 nan 4.420 nan 0.000 0.262 443 P C 1.014 178.296 177.300 -0.030 0.000 1.182 443 P CA 0.798 63.879 63.100 -0.031 0.000 0.761 443 P CB 0.868 32.553 31.700 -0.025 0.000 0.795 444 G N 1.528 110.309 108.800 -0.030 0.000 2.212 444 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.266 444 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.266 444 G C 0.706 175.583 174.900 -0.039 0.000 0.978 444 G CA 0.410 45.494 45.100 -0.026 0.000 0.632 444 G HN 0.448 nan 8.290 nan 0.000 0.537 445 V N -0.169 119.713 119.914 -0.053 0.000 3.137 445 V HA 0.305 4.424 4.120 -0.000 0.000 0.236 445 V C 1.539 177.580 176.094 -0.088 0.000 1.260 445 V CA 1.249 63.503 62.300 -0.078 0.000 1.244 445 V CB 0.732 32.494 31.823 -0.103 0.000 1.016 445 V HN 0.294 nan 8.190 nan 0.000 0.477 446 S N 1.476 117.129 115.700 -0.078 0.000 2.528 446 S HA 0.197 4.667 4.470 -0.000 0.000 0.277 446 S C -0.400 174.169 174.600 -0.052 0.000 1.297 446 S CA -0.328 57.830 58.200 -0.071 0.000 1.052 446 S CB 0.404 63.574 63.200 -0.050 0.000 0.917 446 S HN 0.377 nan 8.310 nan 0.000 0.492 447 D N 2.401 122.771 120.400 -0.050 0.000 2.533 447 D HA 0.117 4.757 4.640 -0.000 0.000 0.236 447 D C 0.242 176.525 176.300 -0.028 0.000 1.137 447 D CA 0.258 54.236 54.000 -0.036 0.000 0.867 447 D CB 0.482 41.260 40.800 -0.036 0.000 1.170 447 D HN 0.578 nan 8.370 nan 0.000 0.474 448 A N 3.263 126.069 122.820 -0.023 0.000 3.026 448 A HA 0.076 4.396 4.320 -0.000 0.000 0.272 448 A C -0.366 177.210 177.584 -0.014 0.000 1.782 448 A CA -0.271 51.753 52.037 -0.021 0.000 1.451 448 A CB -0.281 18.706 19.000 -0.023 0.000 1.081 448 A HN 0.240 nan 8.150 nan 0.000 0.611 449 D N 1.511 121.904 120.400 -0.011 0.000 2.454 449 D HA 0.578 5.218 4.640 -0.000 0.000 0.225 449 D C -0.426 175.872 176.300 -0.004 0.000 1.081 449 D CA 0.399 54.395 54.000 -0.007 0.000 0.864 449 D CB 0.972 41.769 40.800 -0.005 0.000 1.040 449 D HN 0.395 nan 8.370 nan 0.000 0.517 450 L N 1.024 122.241 121.223 -0.010 0.000 2.434 450 L HA 0.606 4.946 4.340 -0.000 0.000 0.260 450 L C -0.750 176.099 176.870 -0.034 0.000 0.983 450 L CA -1.180 53.654 54.840 -0.010 0.000 0.820 450 L CB 2.555 44.603 42.059 -0.018 0.000 1.361 450 L HN -0.093 nan 8.230 nan 0.000 0.410 451 V N 3.006 122.897 119.914 -0.039 0.000 2.487 451 V HA 0.478 4.598 4.120 -0.000 0.000 0.298 451 V C -0.245 175.776 176.094 -0.122 0.000 1.028 451 V CA -0.334 61.866 62.300 -0.167 0.000 0.860 451 V CB 2.073 33.697 31.823 -0.331 0.000 0.991 451 V HN 0.479 nan 8.190 nan 0.000 0.427 452 I N 4.173 124.653 120.570 -0.150 0.000 2.312 452 I HA 0.360 4.530 4.170 -0.000 0.000 0.290 452 I C -0.343 175.677 176.117 -0.162 0.000 1.008 452 I CA -0.167 61.102 61.300 -0.052 0.000 1.226 452 I CB 1.008 38.981 38.000 -0.045 0.000 1.371 452 I HN 0.571 nan 8.210 nan 0.000 0.468 453 W N 4.703 125.986 121.300 -0.030 0.000 2.116 453 W HA 0.365 5.024 4.660 -0.001 0.000 0.374 453 W C -0.019 176.390 176.519 -0.183 0.000 1.445 453 W CA -0.035 57.255 57.345 -0.092 0.000 1.582 453 W CB 0.073 29.498 29.460 -0.058 0.000 1.263 453 W HN 0.221 nan 8.180 nan 0.000 0.683 454 Y N 2.230 122.609 120.300 0.131 0.000 2.301 454 Y HA 0.219 4.768 4.550 -0.000 0.000 0.328 454 Y C -1.456 174.455 175.900 0.019 0.000 1.242 454 Y CA -2.108 55.943 58.100 -0.082 0.000 1.323 454 Y CB -0.339 37.995 38.460 -0.211 0.000 1.266 454 Y HN -0.093 nan 8.280 nan 0.000 0.527 455 P HA 0.015 nan 4.420 nan 0.000 0.276 455 P C -0.433 176.967 177.300 0.166 0.000 1.230 455 P CA -0.036 63.137 63.100 0.121 0.000 0.776 455 P CB 1.317 33.088 31.700 0.118 0.000 0.888 456 D N 1.050 121.541 120.400 0.153 0.000 2.162 456 D HA -0.077 4.562 4.640 -0.000 0.000 0.203 456 D C 0.593 176.966 176.300 0.121 0.000 0.967 456 D CA 1.363 55.470 54.000 0.178 0.000 0.840 456 D CB 0.048 40.992 40.800 0.241 0.000 0.972 456 D HN 0.428 nan 8.370 nan 0.000 0.482 457 D N 0.358 120.812 120.400 0.089 0.000 2.358 457 D HA 0.022 4.662 4.640 -0.000 0.000 0.224 457 D C 0.165 176.509 176.300 0.074 0.000 1.123 457 D CA 0.098 54.138 54.000 0.067 0.000 0.833 457 D CB 0.476 41.302 40.800 0.042 0.000 0.946 457 D HN -0.095 nan 8.370 nan 0.000 0.505 458 S N 0.558 116.325 115.700 0.112 0.000 2.565 458 S HA 0.116 4.586 4.470 -0.000 0.000 0.274 458 S C 1.190 175.852 174.600 0.102 0.000 1.309 458 S CA -0.413 57.864 58.200 0.127 0.000 1.043 458 S CB 0.952 64.291 63.200 0.232 0.000 0.939 458 S HN -0.110 nan 8.310 nan 0.000 0.504 459 K N 2.495 122.932 120.400 0.062 0.000 2.374 459 K HA 0.119 4.439 4.320 -0.000 0.000 0.196 459 K C 0.436 177.039 176.600 0.004 0.000 1.023 459 K CA -0.017 56.290 56.287 0.034 0.000 1.103 459 K CB -0.054 32.455 32.500 0.016 0.000 0.848 459 K HN 0.502 nan 8.250 nan 0.000 0.528 460 K N 2.169 122.565 120.400 -0.005 0.000 2.401 460 K HA -0.028 4.292 4.320 -0.000 0.000 0.278 460 K C -0.413 176.052 176.600 -0.224 0.000 1.018 460 K CA 0.065 56.263 56.287 -0.148 0.000 0.981 460 K CB 0.526 32.879 32.500 -0.246 0.000 0.933 460 K HN -0.175 nan 8.250 nan 0.000 0.477 461 E N 3.005 123.048 120.200 -0.261 0.000 2.289 461 E HA 0.103 4.453 4.350 -0.000 0.000 0.278 461 E C -1.625 174.752 176.600 -0.371 0.000 1.032 461 E CA -0.091 56.191 56.400 -0.197 0.000 0.854 461 E CB 0.469 30.102 29.700 -0.111 0.000 1.046 461 E HN 0.369 nan 8.360 nan 0.000 0.409 462 Y N 4.058 124.351 120.300 -0.011 0.000 2.447 462 Y HA 0.154 4.703 4.550 -0.000 0.000 0.325 462 Y C 0.760 176.626 175.900 -0.057 0.000 0.976 462 Y CA -0.847 57.253 58.100 0.001 0.000 1.280 462 Y CB 0.741 39.210 38.460 0.015 0.000 1.104 462 Y HN 0.601 nan 8.280 nan 0.000 0.486 463 N N -0.671 118.072 118.700 0.073 0.000 2.272 463 N HA -0.223 4.516 4.740 -0.000 0.000 0.185 463 N C 1.413 176.928 175.510 0.007 0.000 1.014 463 N CA 1.620 54.681 53.050 0.019 0.000 0.870 463 N CB -0.354 38.135 38.487 0.003 0.000 0.975 463 N HN 0.467 nan 8.380 nan 0.000 0.433 464 S N -1.234 114.498 115.700 0.053 0.000 2.461 464 S HA -0.055 4.415 4.470 -0.000 0.000 0.228 464 S C 0.809 175.386 174.600 -0.037 0.000 1.005 464 S CA -0.057 58.161 58.200 0.030 0.000 0.942 464 S CB -0.249 63.014 63.200 0.105 0.000 0.776 464 S HN 0.339 nan 8.310 nan 0.000 0.514 465 K N 4.059 124.353 120.400 -0.176 0.000 2.349 465 K HA 0.222 4.541 4.320 -0.000 0.000 0.288 465 K C -2.588 173.851 176.600 -0.268 0.000 1.058 465 K CA -1.904 54.089 56.287 -0.491 0.000 0.953 465 K CB 0.494 32.435 32.500 -0.932 0.000 0.997 465 K HN 0.172 nan 8.250 nan 0.000 0.477 466 P HA 0.107 nan 4.420 nan 0.000 0.279 466 P C -0.703 176.504 177.300 -0.155 0.000 1.239 466 P CA -0.240 62.713 63.100 -0.245 0.000 0.789 466 P CB 1.229 32.660 31.700 -0.447 0.000 0.933 467 K N 1.370 121.705 120.400 -0.108 0.000 2.202 467 K HA 0.202 4.521 4.320 -0.000 0.000 0.201 467 K C 0.749 177.335 176.600 -0.023 0.000 1.051 467 K CA 0.593 56.850 56.287 -0.049 0.000 0.977 467 K CB 0.093 32.572 32.500 -0.034 0.000 0.792 467 K HN 0.385 nan 8.250 nan 0.000 0.469 468 L N 1.362 122.557 121.223 -0.047 0.000 2.319 468 L HA 0.459 4.798 4.340 -0.000 0.000 0.267 468 L C -0.216 176.619 176.870 -0.059 0.000 1.011 468 L CA -1.107 53.727 54.840 -0.011 0.000 0.818 468 L CB 1.944 44.004 42.059 0.002 0.000 1.316 468 L HN -0.056 nan 8.230 nan 0.000 0.432 469 I N 1.428 122.006 120.570 0.015 0.000 2.371 469 I HA 0.243 4.412 4.170 -0.000 0.000 0.290 469 I C 0.181 176.307 176.117 0.015 0.000 1.028 469 I CA 0.158 61.461 61.300 0.005 0.000 1.345 469 I CB 1.377 39.470 38.000 0.156 0.000 1.407 469 I HN 0.679 nan 8.210 nan 0.000 0.501 470 T N 0.764 115.291 114.554 -0.044 0.000 2.906 470 T HA 0.262 4.612 4.350 -0.000 0.000 0.295 470 T C 0.488 175.176 174.700 -0.020 0.000 1.075 470 T CA -0.870 61.219 62.100 -0.019 0.000 1.005 470 T CB 1.750 70.587 68.868 -0.051 0.000 1.136 470 T HN 0.466 nan 8.240 nan 0.000 0.498 471 N N 0.740 119.450 118.700 0.017 0.000 2.104 471 N HA -0.129 4.611 4.740 -0.000 0.000 0.190 471 N C 1.716 177.208 175.510 -0.031 0.000 1.024 471 N CA 1.647 54.717 53.050 0.033 0.000 0.853 471 N CB -0.270 38.285 38.487 0.114 0.000 1.008 471 N HN 0.727 nan 8.380 nan 0.000 0.424 472 K N -0.231 120.152 120.400 -0.028 0.000 2.063 472 K HA -0.141 4.178 4.320 -0.000 0.000 0.208 472 K C 1.831 178.388 176.600 -0.073 0.000 1.048 472 K CA 1.026 57.291 56.287 -0.037 0.000 0.928 472 K CB -0.310 32.170 32.500 -0.033 0.000 0.713 472 K HN 0.194 nan 8.250 nan 0.000 0.442 473 L N 1.027 122.182 121.223 -0.114 0.000 2.261 473 L HA -0.162 4.178 4.340 -0.000 0.000 0.216 473 L C 1.917 178.724 176.870 -0.105 0.000 1.114 473 L CA 1.449 56.195 54.840 -0.158 0.000 0.777 473 L CB -0.218 41.647 42.059 -0.323 0.000 0.910 473 L HN 0.274 nan 8.230 nan 0.000 0.440 474 M N -0.973 118.517 119.600 -0.183 0.000 2.319 474 M HA -0.061 4.419 4.480 -0.000 0.000 0.265 474 M C 0.744 176.883 176.300 -0.268 0.000 1.068 474 M CA 0.624 55.728 55.300 -0.327 0.000 1.118 474 M CB -0.771 31.254 32.600 -0.959 0.000 1.395 474 M HN 0.210 nan 8.290 nan 0.000 0.435 475 E N 1.184 121.290 120.200 -0.157 0.000 2.539 475 E HA -0.221 4.129 4.350 -0.000 0.000 0.253 475 E C 0.102 176.702 176.600 -0.000 0.000 1.145 475 E CA 0.876 57.235 56.400 -0.068 0.000 0.738 475 E CB -2.443 27.202 29.700 -0.092 0.000 1.308 475 E HN 0.816 nan 8.360 nan 0.000 0.409 476 H N -2.416 116.640 119.070 -0.023 0.000 2.810 476 H HA 0.540 5.096 4.556 -0.000 0.000 0.316 476 H C 0.685 175.965 175.328 -0.080 0.000 1.426 476 H CA -0.862 55.175 56.048 -0.020 0.000 1.413 476 H CB 0.904 30.684 29.762 0.029 0.000 1.874 476 H HN -0.115 nan 8.280 nan 0.000 0.737 477 N N -0.506 118.132 118.700 -0.104 0.000 2.230 477 N HA 0.079 4.819 4.740 -0.000 0.000 0.202 477 N C -0.887 174.453 175.510 -0.283 0.000 1.119 477 N CA -0.197 52.657 53.050 -0.327 0.000 0.851 477 N CB 0.003 38.001 38.487 -0.815 0.000 0.990 477 N HN 0.465 nan 8.380 nan 0.000 0.497 478 C N 0.390 119.383 119.300 -0.512 0.000 2.382 478 C HA 0.318 4.778 4.460 -0.000 0.000 0.363 478 C C 0.958 175.856 174.990 -0.154 0.000 1.213 478 C CA -0.564 58.190 59.018 -0.439 0.000 2.363 478 C CB 0.548 27.840 27.740 -0.746 0.000 2.397 478 C HN 0.588 nan 8.230 nan 0.000 0.573 479 D N 0.411 120.867 120.400 0.093 0.000 2.340 479 D HA 0.163 4.803 4.640 -0.000 0.000 0.217 479 D C -0.320 176.226 176.300 0.410 0.000 1.081 479 D CA 0.218 54.364 54.000 0.245 0.000 0.842 479 D CB -0.270 40.702 40.800 0.287 0.000 0.934 479 D HN 0.708 nan 8.370 nan 0.000 0.511 480 Y N -2.109 118.316 120.300 0.208 0.000 2.609 480 Y HA 0.641 5.190 4.550 -0.000 0.000 0.336 480 Y C -1.453 174.566 175.900 0.199 0.000 1.129 480 Y CA -1.311 56.919 58.100 0.217 0.000 1.040 480 Y CB 1.465 40.065 38.460 0.232 0.000 1.310 480 Y HN -0.173 nan 8.280 nan 0.000 0.460 481 T N 3.487 118.054 114.554 0.021 0.000 2.886 481 T HA 0.409 4.759 4.350 -0.000 0.000 0.292 481 T C -2.290 172.428 174.700 0.030 0.000 1.012 481 T CA -2.305 59.734 62.100 -0.101 0.000 0.982 481 T CB 1.686 70.618 68.868 0.107 0.000 1.018 481 T HN 0.604 nan 8.240 nan 0.000 0.451 482 P HA 0.023 nan 4.420 nan 0.000 0.222 482 P C 0.766 177.951 177.300 -0.193 0.000 1.147 482 P CA 0.958 63.958 63.100 -0.167 0.000 0.790 482 P CB -0.096 31.336 31.700 -0.446 0.000 0.780 483 F N -0.341 119.704 119.950 0.158 0.000 2.664 483 F HA 0.221 4.747 4.527 -0.000 0.000 0.301 483 F C 1.073 176.944 175.800 0.119 0.000 1.126 483 F CA -0.781 57.294 58.000 0.125 0.000 1.373 483 F CB -0.565 38.499 39.000 0.108 0.000 1.042 483 F HN -0.151 nan 8.300 nan 0.000 0.535 484 E N 0.899 121.235 120.200 0.226 0.000 2.558 484 E HA 0.262 4.612 4.350 -0.000 0.000 0.255 484 E C 1.240 177.931 176.600 0.151 0.000 0.968 484 E CA 1.151 57.653 56.400 0.171 0.000 0.939 484 E CB 0.196 29.990 29.700 0.158 0.000 0.921 484 E HN 0.477 nan 8.360 nan 0.000 0.477 485 G N 3.568 112.441 108.800 0.122 0.000 2.234 485 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.235 485 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.235 485 G C 0.494 175.465 174.900 0.117 0.000 0.997 485 G CA 0.073 45.234 45.100 0.102 0.000 0.623 485 G HN 0.829 nan 8.290 nan 0.000 0.514 486 I N -0.420 120.247 120.570 0.162 0.000 2.638 486 I HA 0.669 4.839 4.170 -0.000 0.000 0.286 486 I C 0.389 176.613 176.117 0.178 0.000 1.088 486 I CA -0.797 60.617 61.300 0.191 0.000 1.397 486 I CB 0.631 38.783 38.000 0.255 0.000 1.414 486 I HN 0.149 nan 8.210 nan 0.000 0.566 487 E N 4.215 124.519 120.200 0.173 0.000 2.384 487 E HA 0.272 4.621 4.350 -0.000 0.000 0.266 487 E C -0.849 175.851 176.600 0.167 0.000 1.012 487 E CA -0.108 56.369 56.400 0.128 0.000 0.901 487 E CB 1.404 31.154 29.700 0.083 0.000 0.967 487 E HN 0.494 nan 8.360 nan 0.000 0.435 488 I N 2.676 123.325 120.570 0.131 0.000 2.478 488 I HA 0.075 4.244 4.170 -0.000 0.000 0.287 488 I C 0.279 176.474 176.117 0.130 0.000 1.042 488 I CA -0.173 61.236 61.300 0.182 0.000 1.067 488 I CB 1.274 39.452 38.000 0.296 0.000 1.233 488 I HN 0.373 nan 8.210 nan 0.000 0.431 489 K N 4.017 124.479 120.400 0.104 0.000 2.400 489 K HA 0.207 4.527 4.320 -0.000 0.000 0.194 489 K C 0.251 176.932 176.600 0.135 0.000 1.033 489 K CA 0.256 56.592 56.287 0.082 0.000 1.021 489 K CB 0.121 32.640 32.500 0.032 0.000 0.808 489 K HN 0.527 nan 8.250 nan 0.000 0.505 490 N N -0.907 117.914 118.700 0.201 0.000 2.823 490 N HA 0.208 4.948 4.740 -0.000 0.000 0.251 490 N C -2.107 173.684 175.510 0.468 0.000 1.392 490 N CA -0.508 52.673 53.050 0.217 0.000 0.864 490 N CB 1.763 40.188 38.487 -0.102 0.000 1.481 490 N HN -0.026 nan 8.380 nan 0.000 0.508 491 W N 1.517 123.011 121.300 0.324 0.000 3.137 491 W HA 0.389 5.049 4.660 -0.001 0.000 0.324 491 W C -2.803 173.770 176.519 0.089 0.000 1.253 491 W CA -1.347 56.153 57.345 0.259 0.000 1.183 491 W CB 1.647 31.219 29.460 0.187 0.000 1.424 491 W HN 0.321 nan 8.180 nan 0.000 0.566 492 P HA 0.028 nan 4.420 nan 0.000 0.263 492 P C 0.448 177.711 177.300 -0.062 0.000 1.195 492 P CA 0.760 63.485 63.100 -0.625 0.000 0.762 492 P CB 0.572 31.861 31.700 -0.685 0.000 0.799 493 R N 2.693 122.967 120.500 -0.376 0.000 2.128 493 R HA 0.085 4.425 4.340 -0.000 0.000 0.211 493 R C -0.248 175.728 176.300 -0.541 0.000 1.067 493 R CA 0.826 56.545 56.100 -0.635 0.000 1.010 493 R CB 0.277 29.897 30.300 -1.133 0.000 0.922 493 R HN 0.428 nan 8.270 nan 0.000 0.457 494 Y N -0.483 119.659 120.300 -0.264 0.000 2.373 494 Y HA 0.321 4.871 4.550 -0.000 0.000 0.336 494 Y C -0.843 174.987 175.900 -0.117 0.000 0.979 494 Y CA -0.801 57.207 58.100 -0.153 0.000 1.080 494 Y CB 2.528 40.899 38.460 -0.148 0.000 1.190 494 Y HN -0.208 nan 8.280 nan 0.000 0.446 495 T N 5.137 119.769 114.554 0.130 0.000 2.770 495 T HA 0.590 4.939 4.350 -0.000 0.000 0.283 495 T C -0.389 174.358 174.700 0.078 0.000 0.988 495 T CA -0.425 61.705 62.100 0.051 0.000 0.957 495 T CB 0.380 69.253 68.868 0.008 0.000 0.930 495 T HN 0.359 nan 8.240 nan 0.000 0.443 496 I N 3.356 123.949 120.570 0.037 0.000 2.339 496 I HA 0.435 4.605 4.170 -0.000 0.000 0.290 496 I C -0.531 175.597 176.117 0.019 0.000 0.994 496 I CA -0.839 60.483 61.300 0.036 0.000 1.191 496 I CB 1.561 39.569 38.000 0.013 0.000 1.343 496 I HN 0.287 nan 8.210 nan 0.000 0.458 497 V N 6.644 126.576 119.914 0.029 0.000 2.407 497 V HA 0.295 4.415 4.120 -0.000 0.000 0.291 497 V C 0.207 176.310 176.094 0.015 0.000 1.018 497 V CA -1.010 61.303 62.300 0.021 0.000 0.842 497 V CB 1.227 33.071 31.823 0.035 0.000 0.996 497 V HN 0.759 nan 8.190 nan 0.000 0.426 498 K N 3.857 124.260 120.400 0.003 0.000 3.077 498 K HA -0.252 4.067 4.320 -0.000 0.000 0.264 498 K C 1.120 177.721 176.600 0.002 0.000 1.008 498 K CA 0.662 56.948 56.287 -0.002 0.000 0.740 498 K CB -1.437 31.061 32.500 -0.003 0.000 1.273 498 K HN 1.578 nan 8.250 nan 0.000 0.477 499 G N -0.386 108.415 108.800 0.002 0.000 2.176 499 G HA2 -0.331 3.628 3.960 -0.000 0.000 0.253 499 G HA3 -0.331 3.628 3.960 -0.000 0.000 0.253 499 G C -0.118 174.790 174.900 0.013 0.000 0.979 499 G CA 0.779 45.882 45.100 0.004 0.000 0.641 499 G HN 0.334 nan 8.290 nan 0.000 0.530 500 K N 0.054 120.467 120.400 0.022 0.000 2.259 500 K HA 0.604 4.923 4.320 -0.000 0.000 0.252 500 K C 0.206 176.837 176.600 0.052 0.000 0.936 500 K CA -1.049 55.258 56.287 0.034 0.000 0.810 500 K CB 1.997 34.516 32.500 0.031 0.000 1.143 500 K HN 0.175 nan 8.250 nan 0.000 0.427 501 I N 3.138 123.748 120.570 0.067 0.000 2.483 501 I HA -0.070 4.099 4.170 -0.000 0.000 0.291 501 I C 1.036 177.212 176.117 0.098 0.000 1.112 501 I CA -0.055 61.304 61.300 0.099 0.000 1.350 501 I CB 0.346 38.422 38.000 0.126 0.000 1.419 501 I HN 0.415 nan 8.210 nan 0.000 0.523 502 V N 6.502 126.488 119.914 0.121 0.000 3.431 502 V HA 0.014 4.134 4.120 -0.000 0.000 0.253 502 V C -0.122 176.103 176.094 0.218 0.000 1.184 502 V CA 0.383 62.779 62.300 0.160 0.000 1.104 502 V CB -0.316 31.609 31.823 0.170 0.000 0.799 502 V HN 0.625 nan 8.190 nan 0.000 0.462 503 Y N 1.143 121.450 120.300 0.013 0.000 2.386 503 Y HA 0.610 5.160 4.550 -0.000 0.000 0.334 503 Y C -0.496 175.350 175.900 -0.089 0.000 1.002 503 Y CA -1.428 56.655 58.100 -0.029 0.000 1.068 503 Y CB 1.447 39.881 38.460 -0.043 0.000 1.203 503 Y HN -0.059 nan 8.280 nan 0.000 0.443 504 K N 5.320 125.398 120.400 -0.538 0.000 2.601 504 K HA 0.267 4.586 4.320 -0.000 0.000 0.249 504 K C -0.876 175.308 176.600 -0.693 0.000 0.966 504 K CA -0.363 55.545 56.287 -0.630 0.000 0.827 504 K CB 0.952 33.209 32.500 -0.405 0.000 1.178 504 K HN 0.896 nan 8.250 nan 0.000 0.437 505 E N 2.354 122.139 120.200 -0.692 0.000 2.228 505 E HA -0.283 4.067 4.350 -0.000 0.000 0.213 505 E C 0.453 176.855 176.600 -0.329 0.000 1.282 505 E CA 0.822 56.999 56.400 -0.372 0.000 0.707 505 E CB -1.336 28.214 29.700 -0.250 0.000 1.150 505 E HN 1.164 nan 8.360 nan 0.000 0.362 506 G N -0.449 108.026 108.800 -0.542 0.000 2.195 506 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.246 506 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.246 506 G C -0.094 174.658 174.900 -0.246 0.000 0.984 506 G CA 0.311 45.244 45.100 -0.279 0.000 0.633 506 G HN 0.234 nan 8.290 nan 0.000 0.525 507 E N 0.501 120.446 120.200 -0.424 0.000 2.171 507 E HA 0.529 4.879 4.350 -0.000 0.000 0.271 507 E C 0.161 176.716 176.600 -0.075 0.000 0.916 507 E CA -0.841 55.460 56.400 -0.165 0.000 0.774 507 E CB 1.537 31.162 29.700 -0.125 0.000 1.128 507 E HN 0.193 nan 8.360 nan 0.000 0.403 508 I N 3.492 124.136 120.570 0.123 0.000 2.416 508 I HA 0.098 4.268 4.170 -0.000 0.000 0.288 508 I C 0.426 176.628 176.117 0.142 0.000 1.051 508 I CA -0.301 61.117 61.300 0.197 0.000 1.375 508 I CB 0.307 38.391 38.000 0.140 0.000 1.407 508 I HN 0.341 nan 8.210 nan 0.000 0.516 509 L N 7.498 128.814 121.223 0.156 0.000 2.353 509 L HA 0.249 4.589 4.340 -0.000 0.000 0.269 509 L C 1.560 178.525 176.870 0.158 0.000 1.085 509 L CA -0.296 54.616 54.840 0.120 0.000 0.938 509 L CB 0.403 42.509 42.059 0.078 0.000 1.312 509 L HN 0.645 nan 8.230 nan 0.000 0.429 510 K N 2.162 122.668 120.400 0.177 0.000 2.103 510 K HA -0.185 4.135 4.320 -0.000 0.000 0.207 510 K C 1.877 178.488 176.600 0.019 0.000 1.048 510 K CA 1.596 57.974 56.287 0.151 0.000 0.930 510 K CB 0.305 32.896 32.500 0.152 0.000 0.716 510 K HN 0.662 nan 8.250 nan 0.000 0.444 511 E N 0.271 120.490 120.200 0.031 0.000 2.333 511 E HA -0.202 4.148 4.350 -0.000 0.000 0.198 511 E C 0.603 177.203 176.600 -0.000 0.000 1.007 511 E CA 1.061 57.465 56.400 0.007 0.000 0.845 511 E CB -0.225 29.485 29.700 0.017 0.000 0.766 511 E HN 0.285 nan 8.360 nan 0.000 0.507 512 N N 0.890 119.600 118.700 0.017 0.000 2.280 512 N HA 0.143 4.883 4.740 -0.000 0.000 0.192 512 N C -0.254 175.255 175.510 -0.003 0.000 1.109 512 N CA 0.525 53.586 53.050 0.018 0.000 0.855 512 N CB 0.759 39.274 38.487 0.047 0.000 0.974 512 N HN 0.204 nan 8.380 nan 0.000 0.482 513 A N 0.899 123.678 122.820 -0.067 0.000 2.438 513 A HA 0.165 4.485 4.320 -0.000 0.000 0.280 513 A C 0.066 177.567 177.584 -0.138 0.000 1.160 513 A CA 0.226 52.154 52.037 -0.182 0.000 0.821 513 A CB -0.049 18.595 19.000 -0.594 0.000 1.101 513 A HN 0.048 nan 8.150 nan 0.000 0.515 514 D N 1.988 122.344 120.400 -0.074 0.000 2.865 514 D HA 0.268 4.908 4.640 -0.000 0.000 0.347 514 D C 0.669 176.962 176.300 -0.011 0.000 1.498 514 D CA 0.466 54.441 54.000 -0.042 0.000 0.787 514 D CB -0.075 40.712 40.800 -0.021 0.000 1.190 514 D HN 0.675 nan 8.370 nan 0.000 0.445 515 G N 0.875 109.670 108.800 -0.007 0.000 2.544 515 G HA2 0.415 4.375 3.960 -0.000 0.000 0.242 515 G HA3 0.415 4.375 3.960 -0.000 0.000 0.242 515 G C -0.175 174.778 174.900 0.089 0.000 1.247 515 G CA -0.062 45.066 45.100 0.046 0.000 0.840 515 G HN 0.156 nan 8.290 nan 0.000 0.578 516 K N -0.360 120.107 120.400 0.110 0.000 2.508 516 K HA 0.263 4.583 4.320 -0.000 0.000 0.260 516 K C -1.211 175.437 176.600 0.079 0.000 0.949 516 K CA -0.906 55.457 56.287 0.127 0.000 0.834 516 K CB 2.239 34.767 32.500 0.047 0.000 1.365 516 K HN 0.526 nan 8.250 nan 0.000 0.437 517 Y N 2.040 122.308 120.300 -0.054 0.000 2.712 517 Y HA 0.128 4.678 4.550 -0.000 0.000 0.333 517 Y C -0.832 174.872 175.900 -0.327 0.000 1.225 517 Y CA 0.072 57.871 58.100 -0.503 0.000 1.499 517 Y CB 0.370 38.634 38.460 -0.327 0.000 1.288 517 Y HN 0.366 nan 8.280 nan 0.000 0.575 518 L N 7.527 127.927 121.223 -1.372 0.000 2.294 518 L HA 0.388 4.728 4.340 -0.000 0.000 0.283 518 L C -0.842 175.427 176.870 -1.002 0.000 1.015 518 L CA -0.613 53.707 54.840 -0.867 0.000 0.831 518 L CB 0.781 42.507 42.059 -0.555 0.000 1.217 518 L HN 0.570 nan 8.230 nan 0.000 0.420 519 K N 5.346 125.400 120.400 -0.578 0.000 2.349 519 K HA 0.328 4.648 4.320 -0.000 0.000 0.288 519 K C -0.293 176.165 176.600 -0.237 0.000 1.058 519 K CA -0.173 55.920 56.287 -0.323 0.000 0.953 519 K CB 0.770 33.170 32.500 -0.167 0.000 0.997 519 K HN 0.544 nan 8.250 nan 0.000 0.477 520 R N 0.860 121.256 120.500 -0.173 0.000 2.674 520 R HA 0.386 4.726 4.340 -0.000 0.000 0.266 520 R C 0.505 176.834 176.300 0.048 0.000 1.016 520 R CA -0.791 55.264 56.100 -0.076 0.000 1.062 520 R CB 1.311 31.568 30.300 -0.072 0.000 1.142 520 R HN 0.685 nan 8.270 nan 0.000 0.517 521 G N 0.586 109.445 108.800 0.099 0.000 2.557 521 G HA2 0.256 4.216 3.960 -0.000 0.000 0.302 521 G HA3 0.256 4.216 3.960 -0.000 0.000 0.302 521 G C -0.734 174.252 174.900 0.142 0.000 1.311 521 G CA -0.631 44.597 45.100 0.213 0.000 1.030 521 G HN 0.212 nan 8.290 nan 0.000 0.509 522 K N 0.578 121.010 120.400 0.053 0.000 2.322 522 K HA 0.244 4.564 4.320 -0.000 0.000 0.283 522 K C 0.307 176.908 176.600 0.002 0.000 1.042 522 K CA -0.151 56.091 56.287 -0.075 0.000 0.958 522 K CB 1.456 33.877 32.500 -0.131 0.000 0.984 522 K HN 0.340 nan 8.250 nan 0.000 0.473 523 S N 2.336 118.008 115.700 -0.047 0.000 2.549 523 S HA 0.091 4.561 4.470 -0.000 0.000 0.279 523 S C 1.198 175.762 174.600 -0.060 0.000 1.321 523 S CA -0.655 57.493 58.200 -0.087 0.000 1.054 523 S CB 0.055 63.123 63.200 -0.219 0.000 0.899 523 S HN 0.463 nan 8.310 nan 0.000 0.497 524 F N 4.067 123.992 119.950 -0.042 0.000 2.407 524 F HA 0.144 4.671 4.527 -0.000 0.000 0.299 524 F C 1.595 177.369 175.800 -0.044 0.000 1.097 524 F CA 0.664 58.645 58.000 -0.032 0.000 1.422 524 F CB -0.509 38.479 39.000 -0.020 0.000 1.067 524 F HN 0.511 nan 8.300 nan 0.000 0.539 525 M N -0.457 118.676 119.600 -0.779 0.000 2.557 525 M HA -0.030 4.449 4.480 -0.000 0.000 0.259 525 M C 0.778 176.997 176.300 -0.134 0.000 1.086 525 M CA 0.584 55.552 55.300 -0.553 0.000 1.096 525 M CB -0.345 31.717 32.600 -0.897 0.000 1.424 525 M HN 0.314 nan 8.290 nan 0.000 0.488 526 C N 0.614 119.849 119.300 -0.108 0.000 3.000 526 C HA 0.158 4.618 4.460 -0.000 0.000 0.286 526 C C 1.395 176.393 174.990 0.012 0.000 1.343 526 C CA -0.621 58.397 59.018 -0.000 0.000 1.742 526 C CB -1.401 26.324 27.740 -0.025 0.000 2.200 526 C HN 0.476 nan 8.230 nan 0.000 0.621 527 T N 0.869 115.434 114.554 0.019 0.000 2.930 527 T HA 0.276 4.625 4.350 -0.000 0.000 0.306 527 T C -2.309 172.398 174.700 0.010 0.000 1.045 527 T CA -0.821 61.296 62.100 0.028 0.000 1.134 527 T CB 0.659 69.555 68.868 0.048 0.000 0.961 527 T HN 0.174 nan 8.240 nan 0.000 0.545 528 P HA 0.206 nan 4.420 nan 0.000 0.274 528 P C 0.565 177.824 177.300 -0.069 0.000 1.231 528 P CA -0.606 62.462 63.100 -0.053 0.000 0.790 528 P CB 0.903 32.575 31.700 -0.046 0.000 0.951 529 K N 1.129 121.451 120.400 -0.130 0.000 2.362 529 K HA -0.066 4.254 4.320 -0.000 0.000 0.200 529 K C 0.101 176.627 176.600 -0.123 0.000 1.046 529 K CA 0.425 56.638 56.287 -0.122 0.000 0.952 529 K CB -0.398 32.010 32.500 -0.153 0.000 0.753 529 K HN 0.491 nan 8.250 nan 0.000 0.466 530 N N 1.563 120.159 118.700 -0.174 0.000 2.740 530 N HA -0.190 4.550 4.740 -0.000 0.000 0.248 530 N C -0.845 174.581 175.510 -0.140 0.000 1.062 530 N CA 0.900 53.897 53.050 -0.088 0.000 0.704 530 N CB -1.100 37.417 38.487 0.050 0.000 0.968 530 N HN 0.414 nan 8.380 nan 0.000 0.547 531 E N -0.683 119.253 120.200 -0.440 0.000 2.234 531 E HA 0.538 4.888 4.350 -0.000 0.000 0.266 531 E C -1.009 175.276 176.600 -0.526 0.000 0.877 531 E CA -0.569 55.661 56.400 -0.284 0.000 0.758 531 E CB 1.288 30.887 29.700 -0.168 0.000 1.170 531 E HN 0.169 nan 8.360 nan 0.000 0.415 532 W N 2.303 123.609 121.300 0.010 0.000 2.882 532 W HA 0.329 4.988 4.660 -0.001 0.000 0.345 532 W C 0.614 177.163 176.519 0.049 0.000 1.125 532 W CA -0.694 56.676 57.345 0.041 0.000 1.167 532 W CB 1.052 30.536 29.460 0.041 0.000 1.431 532 W HN 0.274 nan 8.180 nan 0.000 0.543 533 V N 0.593 120.702 119.914 0.326 0.000 2.649 533 V HA -0.049 4.071 4.120 -0.000 0.000 0.248 533 V C 0.922 177.130 176.094 0.190 0.000 1.054 533 V CA 2.019 64.438 62.300 0.198 0.000 1.073 533 V CB -0.675 31.245 31.823 0.162 0.000 0.699 533 V HN 0.704 nan 8.190 nan 0.000 0.463 534 T N -2.324 112.379 114.554 0.248 0.000 2.724 534 T HA 0.309 4.659 4.350 -0.000 0.000 0.274 534 T C 0.887 175.684 174.700 0.162 0.000 0.984 534 T CA 0.084 62.291 62.100 0.179 0.000 1.024 534 T CB 1.792 70.757 68.868 0.162 0.000 1.320 534 T HN 0.383 nan 8.240 nan 0.000 0.555 535 E N -0.814 119.448 120.200 0.103 0.000 2.347 535 E HA -0.021 4.329 4.350 -0.000 0.000 0.196 535 E C 0.223 176.806 176.600 -0.027 0.000 1.008 535 E CA -0.422 55.997 56.400 0.031 0.000 0.852 535 E CB -0.139 29.575 29.700 0.023 0.000 0.783 535 E HN 0.623 nan 8.360 nan 0.000 0.505 536 W N 2.572 123.783 121.300 -0.148 0.000 2.223 536 W HA 0.086 4.746 4.660 -0.000 0.000 0.334 536 W C -0.270 175.942 176.519 -0.513 0.000 1.334 536 W CA -0.069 57.138 57.345 -0.231 0.000 1.246 536 W CB 0.576 29.953 29.460 -0.139 0.000 1.184 536 W HN -0.157 nan 8.180 nan 0.000 0.563 537 R N 6.012 125.648 120.500 -1.439 0.000 2.744 537 R HA 0.398 4.738 4.340 -0.000 0.000 0.279 537 R C -2.445 172.700 176.300 -1.925 0.000 0.977 537 R CA -2.512 52.510 56.100 -1.796 0.000 0.906 537 R CB 0.808 30.459 30.300 -1.082 0.000 1.197 537 R HN 0.310 nan 8.270 nan 0.000 0.463 538 P HA 0.068 nan 4.420 nan 0.000 0.266 538 P C 0.545 177.475 177.300 -0.616 0.000 1.193 538 P CA -0.048 62.513 63.100 -0.899 0.000 0.770 538 P CB 0.780 31.932 31.700 -0.913 0.000 0.836 539 K N 1.573 121.874 120.400 -0.165 0.000 2.074 539 K HA -0.215 4.105 4.320 -0.000 0.000 0.209 539 K C 1.834 178.377 176.600 -0.095 0.000 1.048 539 K CA 1.973 58.213 56.287 -0.078 0.000 0.926 539 K CB -0.521 32.035 32.500 0.093 0.000 0.713 539 K HN 0.650 nan 8.250 nan 0.000 0.444 540 Y N 0.410 120.674 120.300 -0.059 0.000 2.583 540 Y HA 0.146 4.695 4.550 -0.000 0.000 0.293 540 Y C 0.751 176.595 175.900 -0.092 0.000 1.157 540 Y CA -0.356 57.709 58.100 -0.059 0.000 1.315 540 Y CB -0.376 38.060 38.460 -0.039 0.000 1.021 540 Y HN -0.095 nan 8.280 nan 0.000 0.536 541 E N 0.000 119.838 120.200 -0.603 0.000 2.725 541 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 541 E CA 0.000 56.132 56.400 -0.447 0.000 0.976 541 E CB 0.000 29.346 29.700 -0.590 0.000 0.812 541 E HN 0.000 nan 8.360 nan 0.000 0.440