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 1gt9_1_1 DATA FIRST_RESID 1 DATA SEQUENCE AAPTAYTPLD VAQAYQFPEG LDGQGQCIAI IELGGGYDET SLAQYFASLG DATA SEQUENCE VSAPQVVSVS VDGATNQPTG DPNGPDGEVE LDIEVAGALA PGAKIAVYFA DATA SEQUENCE PNTDAGFLNA ITTAVHDPTH KPSIVSISWG GPEDSWAPAS IAAMNRAFLD DATA SEQUENCE AAALGVTVLA AAGDSGSTDG EQDGLYHVDF PAASPYVLAC GGTRLVASAG DATA SEQUENCE RIERETVWND GPDGGSTGGG VSRIFPLPSW QERANVPPSA NPGAGSGRGV DATA SEQUENCE PDVAGNADPA TGYEVVIDGE TTVIGGTSAV APLFAALVAR INQKLGKPVG DATA SEQUENCE YLNPTLYQLP PEVFHDITEG NNDIANRARI YQAGPGWDPC TGLGSPIGIR DATA SEQUENCE LLQALLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.579 177.584 -0.008 0.000 1.274 1 A CA 0.000 52.038 52.037 0.003 0.000 0.836 1 A CB 0.000 19.003 19.000 0.006 0.000 0.831 2 A N 2.461 125.270 122.820 -0.018 0.000 2.450 2 A HA 0.579 4.893 4.320 -0.010 0.000 0.255 2 A C -1.885 175.671 177.584 -0.046 0.000 1.096 2 A CA -0.765 51.254 52.037 -0.030 0.000 0.778 2 A CB -0.502 18.477 19.000 -0.034 0.000 1.031 2 A HN 0.286 nan 8.150 nan 0.000 0.494 3 P HA 0.274 nan 4.420 nan 0.000 0.268 3 P C -0.037 177.195 177.300 -0.114 0.000 1.205 3 P CA 0.218 63.275 63.100 -0.072 0.000 0.771 3 P CB 0.903 32.570 31.700 -0.055 0.000 0.858 4 T N -1.340 113.108 114.554 -0.175 0.000 2.804 4 T HA 0.847 5.191 4.350 -0.010 0.000 0.290 4 T C -0.955 173.528 174.700 -0.361 0.000 1.099 4 T CA -0.870 61.069 62.100 -0.269 0.000 1.011 4 T CB 1.787 70.451 68.868 -0.340 0.000 1.291 4 T HN 0.609 nan 8.240 nan 0.000 0.523 5 A N 0.059 122.591 122.820 -0.481 0.000 2.612 5 A HA 0.760 5.074 4.320 -0.010 0.000 0.293 5 A C -2.127 175.106 177.584 -0.585 0.000 1.075 5 A CA -1.049 50.706 52.037 -0.469 0.000 0.680 5 A CB 0.989 19.857 19.000 -0.220 0.000 1.279 5 A HN 0.842 nan 8.150 nan 0.000 0.411 6 Y N -0.080 120.098 120.300 -0.202 0.000 2.536 6 Y HA 0.610 5.154 4.550 -0.010 0.000 0.347 6 Y C 1.100 176.933 175.900 -0.111 0.000 1.000 6 Y CA -0.274 57.712 58.100 -0.190 0.000 1.051 6 Y CB 2.319 40.600 38.460 -0.297 0.000 1.259 6 Y HN 0.829 nan 8.280 nan 0.000 0.468 7 T N -1.850 112.772 114.554 0.114 0.000 2.849 7 T HA 0.217 4.561 4.350 -0.010 0.000 0.284 7 T C -2.208 172.567 174.700 0.125 0.000 1.004 7 T CA -1.921 60.248 62.100 0.115 0.000 1.021 7 T CB 1.392 70.280 68.868 0.032 0.000 1.013 7 T HN 0.312 nan 8.240 nan 0.000 0.527 8 P HA -0.050 nan 4.420 nan 0.000 0.218 8 P C 1.669 178.958 177.300 -0.018 0.000 1.148 8 P CA 0.582 63.788 63.100 0.176 0.000 0.822 8 P CB -0.056 31.765 31.700 0.202 0.000 0.784 9 L N -0.216 120.988 121.223 -0.033 0.000 2.131 9 L HA -0.150 4.184 4.340 -0.010 0.000 0.210 9 L C 1.726 178.502 176.870 -0.157 0.000 1.092 9 L CA 1.925 56.706 54.840 -0.098 0.000 0.759 9 L CB -1.636 40.386 42.059 -0.062 0.000 0.903 9 L HN 0.118 nan 8.230 nan 0.000 0.435 10 D N -0.249 120.068 120.400 -0.137 0.000 2.117 10 D HA -0.115 4.519 4.640 -0.010 0.000 0.198 10 D C 2.344 178.403 176.300 -0.402 0.000 0.982 10 D CA 0.915 54.791 54.000 -0.206 0.000 0.828 10 D CB 0.157 40.897 40.800 -0.100 0.000 0.967 10 D HN 0.174 nan 8.370 nan 0.000 0.464 11 V N 1.817 121.465 119.914 -0.444 0.000 2.358 11 V HA -0.194 3.920 4.120 -0.010 0.000 0.246 11 V C 2.644 178.366 176.094 -0.621 0.000 1.047 11 V CA 1.647 63.571 62.300 -0.628 0.000 1.035 11 V CB -0.764 30.805 31.823 -0.423 0.000 0.658 11 V HN 0.152 nan 8.190 nan 0.000 0.452 12 A N -0.258 122.210 122.820 -0.588 0.000 1.940 12 A HA -0.309 4.005 4.320 -0.010 0.000 0.219 12 A C 2.189 179.501 177.584 -0.452 0.000 1.176 12 A CA 2.245 53.698 52.037 -0.973 0.000 0.631 12 A CB -0.538 17.849 19.000 -1.022 0.000 0.814 12 A HN 0.538 nan 8.150 nan 0.000 0.446 13 Q N -0.003 119.612 119.800 -0.308 0.000 2.084 13 Q HA -0.025 4.309 4.340 -0.010 0.000 0.202 13 Q C 2.039 177.939 176.000 -0.167 0.000 0.978 13 Q CA 2.253 57.953 55.803 -0.171 0.000 0.844 13 Q CB -0.700 27.946 28.738 -0.153 0.000 0.898 13 Q HN 0.539 nan 8.270 nan 0.000 0.426 14 A N -0.699 121.936 122.820 -0.308 0.000 1.940 14 A HA -0.162 4.152 4.320 -0.010 0.000 0.219 14 A C 1.548 179.047 177.584 -0.143 0.000 1.176 14 A CA 1.419 53.260 52.037 -0.326 0.000 0.631 14 A CB -0.880 17.765 19.000 -0.593 0.000 0.814 14 A HN 0.616 nan 8.150 nan 0.000 0.446 15 Y N -0.555 119.721 120.300 -0.040 0.000 2.470 15 Y HA 0.137 4.683 4.550 -0.007 0.000 0.284 15 Y C 0.268 176.274 175.900 0.177 0.000 1.188 15 Y CA -0.090 58.074 58.100 0.106 0.000 1.269 15 Y CB -0.196 38.444 38.460 0.299 0.000 1.094 15 Y HN 0.434 nan 8.280 nan 0.000 0.518 16 Q N -0.121 119.814 119.800 0.224 0.000 2.439 16 Q HA -0.233 4.101 4.340 -0.010 0.000 0.325 16 Q C -0.817 175.353 176.000 0.285 0.000 1.372 16 Q CA 0.025 55.934 55.803 0.177 0.000 0.909 16 Q CB -1.765 27.031 28.738 0.097 0.000 1.167 16 Q HN 0.315 nan 8.270 nan 0.000 0.418 17 F N 1.744 121.728 119.950 0.057 0.000 2.563 17 F HA 0.099 4.622 4.527 -0.007 0.000 0.363 17 F C -1.213 174.596 175.800 0.014 0.000 1.123 17 F CA -1.846 56.183 58.000 0.048 0.000 1.307 17 F CB -0.047 38.994 39.000 0.069 0.000 1.115 17 F HN 0.084 nan 8.300 nan 0.000 0.592 18 P HA -0.010 nan 4.420 nan 0.000 0.267 18 P C -0.419 176.926 177.300 0.074 0.000 1.205 18 P CA -0.037 63.096 63.100 0.055 0.000 0.765 18 P CB 0.665 32.359 31.700 -0.010 0.000 0.828 19 E N 1.682 121.914 120.200 0.053 0.000 2.374 19 E HA 0.288 4.632 4.350 -0.010 0.000 0.260 19 E C 1.438 178.054 176.600 0.027 0.000 1.101 19 E CA 0.081 56.507 56.400 0.043 0.000 0.907 19 E CB 0.218 29.935 29.700 0.029 0.000 1.014 19 E HN 0.769 nan 8.360 nan 0.000 0.427 20 G N 1.164 109.978 108.800 0.024 0.000 2.148 20 G HA2 -0.270 3.684 3.960 -0.010 0.000 0.254 20 G HA3 -0.270 3.684 3.960 -0.010 0.000 0.254 20 G C -0.023 174.884 174.900 0.012 0.000 0.981 20 G CA 0.369 45.477 45.100 0.013 0.000 0.670 20 G HN 0.295 nan 8.290 nan 0.000 0.528 21 L N 0.386 121.621 121.223 0.021 0.000 2.386 21 L HA 0.608 4.942 4.340 -0.010 0.000 0.271 21 L C 0.026 176.913 176.870 0.029 0.000 0.993 21 L CA -0.465 54.385 54.840 0.016 0.000 0.819 21 L CB 1.997 44.061 42.059 0.009 0.000 1.294 21 L HN 0.193 nan 8.230 nan 0.000 0.414 22 D N 0.237 120.648 120.400 0.018 0.000 2.556 22 D HA 0.187 4.821 4.640 -0.010 0.000 0.237 22 D C 0.988 177.295 176.300 0.012 0.000 1.296 22 D CA 0.372 54.384 54.000 0.019 0.000 0.807 22 D CB 1.060 41.861 40.800 0.002 0.000 1.084 22 D HN 0.688 nan 8.370 nan 0.000 0.510 23 G N 0.695 109.500 108.800 0.010 0.000 2.141 23 G HA2 -0.329 3.625 3.960 -0.010 0.000 0.242 23 G HA3 -0.329 3.625 3.960 -0.010 0.000 0.242 23 G C 0.147 175.048 174.900 0.001 0.000 0.982 23 G CA 0.132 45.236 45.100 0.006 0.000 0.662 23 G HN 0.559 nan 8.290 nan 0.000 0.527 24 Q N -0.030 119.768 119.800 -0.002 0.000 2.283 24 Q HA 0.416 4.750 4.340 -0.010 0.000 0.301 24 Q C 1.630 177.630 176.000 0.001 0.000 1.063 24 Q CA 2.308 58.109 55.803 -0.003 0.000 0.952 24 Q CB 0.134 28.870 28.738 -0.004 0.000 1.166 24 Q HN 1.806 nan 8.270 nan 0.000 0.381 25 G N 2.430 111.232 108.800 0.005 0.000 2.176 25 G HA2 -0.211 3.743 3.960 -0.010 0.000 0.253 25 G HA3 -0.211 3.743 3.960 -0.010 0.000 0.253 25 G C -0.209 174.699 174.900 0.013 0.000 0.979 25 G CA 0.214 45.319 45.100 0.008 0.000 0.641 25 G HN 0.560 nan 8.290 nan 0.000 0.530 26 Q N -0.525 119.283 119.800 0.014 0.000 2.248 26 Q HA 0.653 4.987 4.340 -0.010 0.000 0.263 26 Q C -0.241 175.778 176.000 0.031 0.000 1.007 26 Q CA -0.415 55.400 55.803 0.019 0.000 0.877 26 Q CB 2.099 30.846 28.738 0.013 0.000 1.315 26 Q HN 0.611 nan 8.270 nan 0.000 0.454 27 C N 2.298 121.624 119.300 0.043 0.000 2.431 27 C HA 0.685 5.139 4.460 -0.010 0.000 0.321 27 C C -0.928 174.099 174.990 0.062 0.000 1.202 27 C CA -0.540 58.515 59.018 0.062 0.000 1.398 27 C CB -0.304 27.495 27.740 0.098 0.000 2.047 27 C HN 0.728 nan 8.230 nan 0.000 0.465 28 I N 5.619 126.224 120.570 0.059 0.000 2.321 28 I HA 0.554 4.718 4.170 -0.010 0.000 0.291 28 I C 0.748 176.918 176.117 0.089 0.000 0.998 28 I CA 0.324 61.660 61.300 0.060 0.000 1.227 28 I CB 1.563 39.592 38.000 0.048 0.000 1.368 28 I HN 0.834 nan 8.210 nan 0.000 0.466 29 A N 7.748 130.631 122.820 0.105 0.000 2.309 29 A HA 0.836 5.150 4.320 -0.010 0.000 0.298 29 A C -0.391 177.266 177.584 0.123 0.000 1.165 29 A CA -0.377 51.768 52.037 0.180 0.000 0.821 29 A CB 0.352 19.394 19.000 0.070 0.000 1.102 29 A HN 0.664 nan 8.150 nan 0.000 0.500 30 I N 3.496 124.166 120.570 0.166 0.000 2.466 30 I HA 0.277 4.441 4.170 -0.010 0.000 0.289 30 I C -0.793 175.385 176.117 0.101 0.000 1.026 30 I CA -0.622 60.739 61.300 0.101 0.000 1.078 30 I CB 1.687 39.718 38.000 0.052 0.000 1.249 30 I HN 0.411 nan 8.210 nan 0.000 0.429 31 I N 5.731 126.358 120.570 0.095 0.000 2.365 31 I HA 0.366 4.530 4.170 -0.010 0.000 0.291 31 I C 0.094 176.168 176.117 -0.072 0.000 1.004 31 I CA -0.314 61.007 61.300 0.034 0.000 1.311 31 I CB 0.985 39.057 38.000 0.121 0.000 1.401 31 I HN 0.523 nan 8.210 nan 0.000 0.491 32 E N 6.645 126.663 120.200 -0.302 0.000 2.272 32 E HA 0.396 4.740 4.350 -0.010 0.000 0.269 32 E C -0.136 176.062 176.600 -0.670 0.000 0.877 32 E CA -0.529 55.626 56.400 -0.409 0.000 0.755 32 E CB 2.817 32.325 29.700 -0.320 0.000 1.192 32 E HN 0.457 nan 8.360 nan 0.000 0.422 33 L N 0.468 120.876 121.223 -1.359 0.000 2.857 33 L HA 0.461 4.795 4.340 -0.010 0.000 0.249 33 L C 0.723 177.264 176.870 -0.548 0.000 1.172 33 L CA -0.178 54.034 54.840 -1.046 0.000 0.980 33 L CB 0.633 41.832 42.059 -1.434 0.000 1.299 33 L HN 0.560 nan 8.230 nan 0.000 0.535 34 G N -1.550 107.145 108.800 -0.175 0.000 2.451 34 G HA2 0.481 4.435 3.960 -0.010 0.000 0.292 34 G HA3 0.481 4.435 3.960 -0.010 0.000 0.292 34 G C -0.316 174.788 174.900 0.339 0.000 1.427 34 G CA -0.019 45.175 45.100 0.156 0.000 0.792 34 G HN 0.186 nan 8.290 nan 0.000 0.498 35 G N -1.275 107.660 108.800 0.224 0.000 2.601 35 G HA2 0.521 4.475 3.960 -0.010 0.000 0.252 35 G HA3 0.521 4.475 3.960 -0.010 0.000 0.252 35 G C 0.640 175.635 174.900 0.159 0.000 1.294 35 G CA 0.936 46.152 45.100 0.193 0.000 0.912 35 G HN 2.658 nan 8.290 nan 0.000 0.574 36 G N -2.624 106.277 108.800 0.167 0.000 2.488 36 G HA2 0.856 4.810 3.960 -0.010 0.000 0.301 36 G HA3 0.856 4.810 3.960 -0.010 0.000 0.301 36 G C -1.080 173.930 174.900 0.184 0.000 1.339 36 G CA 0.281 45.428 45.100 0.079 0.000 0.803 36 G HN 2.194 nan 8.290 nan 0.000 0.482 37 Y N -0.364 119.997 120.300 0.102 0.000 2.576 37 Y HA 0.792 5.336 4.550 -0.010 0.000 0.346 37 Y C -0.858 175.059 175.900 0.029 0.000 1.018 37 Y CA -1.454 56.690 58.100 0.072 0.000 1.050 37 Y CB 1.961 40.486 38.460 0.108 0.000 1.280 37 Y HN 0.620 nan 8.280 nan 0.000 0.474 38 D N 0.847 121.364 120.400 0.196 0.000 2.350 38 D HA 0.200 4.834 4.640 -0.010 0.000 0.245 38 D C -0.316 176.106 176.300 0.204 0.000 1.036 38 D CA -0.642 53.421 54.000 0.104 0.000 0.848 38 D CB 2.362 43.186 40.800 0.039 0.000 1.307 38 D HN 0.671 nan 8.370 nan 0.000 0.469 39 E N 0.874 121.178 120.200 0.174 0.000 2.153 39 E HA -0.111 4.233 4.350 -0.010 0.000 0.194 39 E C 1.751 178.414 176.600 0.105 0.000 0.988 39 E CA 1.450 57.953 56.400 0.171 0.000 0.811 39 E CB -0.265 29.519 29.700 0.141 0.000 0.746 39 E HN 0.570 nan 8.360 nan 0.000 0.466 40 T N -0.110 114.486 114.554 0.071 0.000 2.684 40 T HA -0.147 4.197 4.350 -0.010 0.000 0.267 40 T C 2.005 176.726 174.700 0.034 0.000 1.036 40 T CA 1.551 63.680 62.100 0.047 0.000 1.148 40 T CB -0.314 68.573 68.868 0.032 0.000 0.863 40 T HN 0.093 nan 8.240 nan 0.000 0.436 41 S N 1.133 116.847 115.700 0.024 0.000 2.356 41 S HA 0.051 4.515 4.470 -0.010 0.000 0.223 41 S C 2.060 176.625 174.600 -0.058 0.000 1.032 41 S CA 0.842 59.033 58.200 -0.014 0.000 1.005 41 S CB -0.437 62.745 63.200 -0.030 0.000 0.867 41 S HN 0.359 nan 8.310 nan 0.000 0.449 42 L N 1.079 122.266 121.223 -0.059 0.000 2.017 42 L HA -0.128 4.206 4.340 -0.010 0.000 0.208 42 L C 2.834 179.638 176.870 -0.110 0.000 1.073 42 L CA 1.291 56.019 54.840 -0.187 0.000 0.745 42 L CB -0.813 41.232 42.059 -0.023 0.000 0.894 42 L HN 0.321 nan 8.230 nan 0.000 0.432 43 A N -0.395 122.462 122.820 0.062 0.000 1.902 43 A HA -0.279 4.035 4.320 -0.010 0.000 0.217 43 A C 2.290 179.922 177.584 0.080 0.000 1.181 43 A CA 1.842 53.953 52.037 0.124 0.000 0.623 43 A CB -0.620 18.445 19.000 0.107 0.000 0.818 43 A HN 0.499 nan 8.150 nan 0.000 0.443 44 Q N -1.847 117.979 119.800 0.044 0.000 2.050 44 Q HA -0.245 4.089 4.340 -0.010 0.000 0.202 44 Q C 1.970 177.994 176.000 0.041 0.000 0.980 44 Q CA 2.087 57.915 55.803 0.041 0.000 0.840 44 Q CB -0.338 28.422 28.738 0.037 0.000 0.898 44 Q HN 0.777 nan 8.270 nan 0.000 0.424 45 Y N -0.179 120.025 120.300 -0.161 0.000 2.114 45 Y HA -0.270 4.274 4.550 -0.010 0.000 0.284 45 Y C 1.744 177.558 175.900 -0.144 0.000 1.143 45 Y CA 1.856 59.825 58.100 -0.220 0.000 1.135 45 Y CB -0.225 37.989 38.460 -0.410 0.000 0.980 45 Y HN 0.140 nan 8.280 nan 0.000 0.499 46 F N -0.015 119.976 119.950 0.069 0.000 2.171 46 F HA -0.167 4.354 4.527 -0.010 0.000 0.300 46 F C 2.563 178.320 175.800 -0.073 0.000 1.090 46 F CA 0.967 58.946 58.000 -0.036 0.000 1.293 46 F CB -1.474 37.549 39.000 0.038 0.000 1.013 46 F HN 0.155 nan 8.300 nan 0.000 0.486 47 A N 0.066 122.964 122.820 0.130 0.000 1.877 47 A HA -0.216 4.098 4.320 -0.010 0.000 0.216 47 A C 2.444 180.026 177.584 -0.003 0.000 1.186 47 A CA 2.236 54.309 52.037 0.059 0.000 0.620 47 A CB -1.310 17.721 19.000 0.052 0.000 0.822 47 A HN 0.406 nan 8.150 nan 0.000 0.443 48 S N -0.087 115.584 115.700 -0.049 0.000 2.400 48 S HA -0.092 4.372 4.470 -0.010 0.000 0.232 48 S C 1.622 176.150 174.600 -0.119 0.000 1.025 48 S CA 1.597 59.744 58.200 -0.087 0.000 0.993 48 S CB -0.593 62.539 63.200 -0.113 0.000 0.808 48 S HN 0.449 nan 8.310 nan 0.000 0.478 49 L N 0.822 121.948 121.223 -0.162 0.000 2.591 49 L HA 0.315 4.649 4.340 -0.010 0.000 0.228 49 L C 1.789 178.623 176.870 -0.059 0.000 1.133 49 L CA 0.292 55.048 54.840 -0.139 0.000 0.880 49 L CB -0.696 41.243 42.059 -0.200 0.000 1.033 49 L HN 0.610 nan 8.230 nan 0.000 0.450 50 G N 1.250 110.032 108.800 -0.030 0.000 2.160 50 G HA2 -0.248 3.706 3.960 -0.010 0.000 0.251 50 G HA3 -0.248 3.706 3.960 -0.010 0.000 0.251 50 G C 0.190 175.087 174.900 -0.004 0.000 1.008 50 G CA 0.342 45.435 45.100 -0.012 0.000 0.724 50 G HN 0.287 nan 8.290 nan 0.000 0.514 51 V N -2.448 117.473 119.914 0.011 0.000 2.667 51 V HA 0.884 4.998 4.120 -0.010 0.000 0.308 51 V C 0.717 176.800 176.094 -0.019 0.000 1.048 51 V CA -0.294 62.000 62.300 -0.009 0.000 0.928 51 V CB 1.816 33.626 31.823 -0.022 0.000 1.004 51 V HN 1.017 nan 8.190 nan 0.000 0.444 52 S N 3.243 118.915 115.700 -0.048 0.000 2.516 52 S HA 0.540 5.004 4.470 -0.010 0.000 0.282 52 S C 0.528 175.047 174.600 -0.135 0.000 1.286 52 S CA 0.049 58.217 58.200 -0.053 0.000 1.066 52 S CB -0.124 63.048 63.200 -0.046 0.000 0.884 52 S HN 1.874 nan 8.310 nan 0.000 0.491 53 A N 7.501 130.255 122.820 -0.111 0.000 2.488 53 A HA 0.462 4.776 4.320 -0.010 0.000 0.249 53 A C -1.811 175.610 177.584 -0.271 0.000 1.083 53 A CA -1.112 50.765 52.037 -0.267 0.000 0.768 53 A CB -0.255 18.764 19.000 0.032 0.000 1.017 53 A HN 0.769 nan 8.150 nan 0.000 0.496 54 P HA 0.134 nan 4.420 nan 0.000 0.274 54 P C -0.791 176.441 177.300 -0.114 0.000 1.237 54 P CA -0.258 62.700 63.100 -0.237 0.000 0.793 54 P CB 0.561 32.096 31.700 -0.274 0.000 0.977 55 Q N 0.157 119.925 119.800 -0.053 0.000 2.332 55 Q HA 0.358 4.692 4.340 -0.010 0.000 0.263 55 Q C -0.522 175.474 176.000 -0.007 0.000 0.979 55 Q CA -0.327 55.473 55.803 -0.004 0.000 0.885 55 Q CB 0.824 29.571 28.738 0.016 0.000 1.218 55 Q HN 0.217 nan 8.270 nan 0.000 0.405 56 V N 3.316 123.238 119.914 0.014 0.000 2.531 56 V HA 0.490 4.604 4.120 -0.010 0.000 0.301 56 V C -0.337 175.785 176.094 0.047 0.000 1.034 56 V CA -0.757 61.533 62.300 -0.017 0.000 0.865 56 V CB 1.764 33.526 31.823 -0.102 0.000 0.995 56 V HN 0.622 nan 8.190 nan 0.000 0.424 57 V N 1.690 121.617 119.914 0.021 0.000 2.876 57 V HA 0.827 4.941 4.120 -0.010 0.000 0.312 57 V C -0.259 175.857 176.094 0.037 0.000 1.085 57 V CA -0.453 61.879 62.300 0.053 0.000 0.945 57 V CB 2.223 34.045 31.823 -0.000 0.000 1.017 57 V HN 0.673 nan 8.190 nan 0.000 0.428 58 S N 1.899 117.674 115.700 0.124 0.000 2.525 58 S HA 0.827 5.291 4.470 -0.010 0.000 0.290 58 S C -0.476 174.111 174.600 -0.022 0.000 1.152 58 S CA -0.546 57.751 58.200 0.161 0.000 1.072 58 S CB 1.633 65.009 63.200 0.293 0.000 1.027 58 S HN 0.838 nan 8.310 nan 0.000 0.500 59 V N 2.226 122.072 119.914 -0.113 0.000 2.588 59 V HA 0.484 4.598 4.120 -0.010 0.000 0.304 59 V C 0.012 176.131 176.094 0.041 0.000 1.042 59 V CA -0.742 61.465 62.300 -0.156 0.000 0.877 59 V CB 1.930 33.414 31.823 -0.565 0.000 0.996 59 V HN 0.831 nan 8.190 nan 0.000 0.425 60 S N 4.055 119.804 115.700 0.081 0.000 2.475 60 S HA 0.633 5.097 4.470 -0.010 0.000 0.281 60 S C -0.627 174.047 174.600 0.124 0.000 1.198 60 S CA -0.376 57.891 58.200 0.112 0.000 1.063 60 S CB 0.829 64.068 63.200 0.066 0.000 0.972 60 S HN 0.513 nan 8.310 nan 0.000 0.486 61 V N 5.223 125.222 119.914 0.142 0.000 2.448 61 V HA 0.375 4.489 4.120 -0.010 0.000 0.295 61 V C -0.445 175.705 176.094 0.093 0.000 1.025 61 V CA -0.700 61.680 62.300 0.132 0.000 0.859 61 V CB 1.499 33.419 31.823 0.162 0.000 0.988 61 V HN 1.006 nan 8.190 nan 0.000 0.431 62 D N 4.054 124.498 120.400 0.074 0.000 2.751 62 D HA -0.194 4.440 4.640 -0.010 0.000 0.233 62 D C 1.329 177.654 176.300 0.042 0.000 1.149 62 D CA 1.827 55.859 54.000 0.053 0.000 0.682 62 D CB -1.199 39.632 40.800 0.052 0.000 1.068 62 D HN 1.440 nan 8.370 nan 0.000 0.429 63 G N -1.731 107.094 108.800 0.041 0.000 2.205 63 G HA2 -0.153 3.801 3.960 -0.010 0.000 0.261 63 G HA3 -0.153 3.801 3.960 -0.010 0.000 0.261 63 G C 0.536 175.447 174.900 0.019 0.000 0.980 63 G CA 0.670 45.785 45.100 0.025 0.000 0.632 63 G HN 1.268 nan 8.290 nan 0.000 0.533 64 A N 0.142 122.986 122.820 0.039 0.000 2.371 64 A HA 0.833 5.147 4.320 -0.010 0.000 0.257 64 A C 0.735 178.335 177.584 0.026 0.000 1.089 64 A CA 1.291 53.349 52.037 0.036 0.000 0.794 64 A CB 0.603 19.651 19.000 0.081 0.000 1.029 64 A HN 1.847 nan 8.150 nan 0.000 0.488 65 T N -0.987 113.513 114.554 -0.090 0.000 2.838 65 T HA 0.456 4.800 4.350 -0.010 0.000 0.292 65 T C -0.410 173.853 174.700 -0.728 0.000 1.113 65 T CA -0.929 61.028 62.100 -0.238 0.000 1.008 65 T CB 0.931 69.686 68.868 -0.188 0.000 1.259 65 T HN 0.537 nan 8.240 nan 0.000 0.520 66 N N 1.890 120.006 118.700 -0.974 0.000 2.406 66 N HA 0.138 4.872 4.740 -0.010 0.000 0.265 66 N C -0.831 174.246 175.510 -0.721 0.000 1.203 66 N CA 0.071 52.274 53.050 -1.411 0.000 0.945 66 N CB -0.189 37.733 38.487 -0.943 0.000 1.165 66 N HN 0.463 nan 8.380 nan 0.000 0.485 67 Q N 4.466 123.916 119.800 -0.584 0.000 3.090 67 Q HA 0.319 4.653 4.340 -0.010 0.000 0.241 67 Q C -2.539 173.353 176.000 -0.180 0.000 0.958 67 Q CA -1.562 54.062 55.803 -0.298 0.000 0.715 67 Q CB 1.608 30.216 28.738 -0.217 0.000 1.298 67 Q HN 0.576 nan 8.270 nan 0.000 0.468 68 P HA -0.004 nan 4.420 nan 0.000 0.268 68 P C 0.925 178.199 177.300 -0.042 0.000 1.204 68 P CA 0.232 63.294 63.100 -0.063 0.000 0.768 68 P CB 0.846 32.513 31.700 -0.056 0.000 0.842 69 T N -1.240 113.308 114.554 -0.010 0.000 3.067 69 T HA 0.186 4.530 4.350 -0.010 0.000 0.257 69 T C 1.407 176.103 174.700 -0.007 0.000 1.105 69 T CA 0.880 62.975 62.100 -0.007 0.000 1.104 69 T CB -0.761 68.113 68.868 0.010 0.000 0.925 69 T HN 0.632 nan 8.240 nan 0.000 0.498 70 G N 1.218 110.015 108.800 -0.004 0.000 2.195 70 G HA2 -0.226 3.728 3.960 -0.010 0.000 0.246 70 G HA3 -0.226 3.728 3.960 -0.010 0.000 0.246 70 G C -0.182 174.718 174.900 -0.001 0.000 0.984 70 G CA 0.094 45.192 45.100 -0.005 0.000 0.633 70 G HN 0.744 nan 8.290 nan 0.000 0.525 71 D N 1.262 121.664 120.400 0.003 0.000 2.347 71 D HA 0.445 5.079 4.640 -0.010 0.000 0.235 71 D C -0.143 176.159 176.300 0.002 0.000 1.149 71 D CA -1.938 52.064 54.000 0.003 0.000 0.850 71 D CB 1.515 42.319 40.800 0.006 0.000 1.061 71 D HN 0.162 nan 8.370 nan 0.000 0.487 72 P HA -0.103 nan 4.420 nan 0.000 0.225 72 P C 0.176 177.469 177.300 -0.012 0.000 1.148 72 P CA 0.835 63.929 63.100 -0.010 0.000 0.779 72 P CB 0.328 32.020 31.700 -0.014 0.000 0.780 73 N N -0.682 118.014 118.700 -0.007 0.000 2.336 73 N HA 0.116 4.850 4.740 -0.010 0.000 0.189 73 N C 1.205 176.712 175.510 -0.005 0.000 1.113 73 N CA -0.052 52.993 53.050 -0.007 0.000 0.858 73 N CB 0.162 38.648 38.487 -0.003 0.000 0.970 73 N HN 0.139 nan 8.380 nan 0.000 0.471 74 G N 0.854 109.656 108.800 0.003 0.000 2.606 74 G HA2 0.155 4.109 3.960 -0.010 0.000 0.262 74 G HA3 0.155 4.109 3.960 -0.010 0.000 0.262 74 G C -1.444 173.466 174.900 0.016 0.000 1.394 74 G CA -0.710 44.398 45.100 0.014 0.000 1.044 74 G HN -0.099 nan 8.290 nan 0.000 0.553 75 P HA -0.060 nan 4.420 nan 0.000 0.222 75 P C 0.500 177.864 177.300 0.107 0.000 1.147 75 P CA 1.017 64.170 63.100 0.088 0.000 0.790 75 P CB 0.185 32.020 31.700 0.225 0.000 0.780 76 D N 0.344 120.797 120.400 0.089 0.000 2.221 76 D HA -0.106 4.528 4.640 -0.010 0.000 0.204 76 D C 2.328 178.656 176.300 0.047 0.000 0.982 76 D CA 1.554 55.609 54.000 0.091 0.000 0.857 76 D CB -1.057 39.778 40.800 0.058 0.000 0.934 76 D HN 0.225 nan 8.370 nan 0.000 0.475 77 G N 0.651 109.453 108.800 0.003 0.000 2.418 77 G HA2 -0.310 3.644 3.960 -0.010 0.000 0.217 77 G HA3 -0.310 3.644 3.960 -0.010 0.000 0.217 77 G C 1.632 176.496 174.900 -0.059 0.000 1.158 77 G CA 0.949 46.026 45.100 -0.039 0.000 0.771 77 G HN 0.268 nan 8.290 nan 0.000 0.545 78 E N 0.250 120.407 120.200 -0.071 0.000 2.031 78 E HA -0.094 4.250 4.350 -0.010 0.000 0.193 78 E C 2.666 179.261 176.600 -0.008 0.000 0.994 78 E CA 1.234 57.565 56.400 -0.117 0.000 0.800 78 E CB -0.471 29.060 29.700 -0.281 0.000 0.752 78 E HN 0.184 nan 8.360 nan 0.000 0.447 79 V N 1.118 121.098 119.914 0.110 0.000 2.255 79 V HA -0.271 3.843 4.120 -0.010 0.000 0.247 79 V C 2.257 178.407 176.094 0.092 0.000 1.051 79 V CA 2.420 64.828 62.300 0.181 0.000 1.018 79 V CB -0.636 31.393 31.823 0.342 0.000 0.641 79 V HN 0.326 nan 8.190 nan 0.000 0.445 80 E N -0.228 120.006 120.200 0.056 0.000 2.106 80 E HA -0.205 4.139 4.350 -0.010 0.000 0.192 80 E C 2.133 178.654 176.600 -0.132 0.000 0.984 80 E CA 1.193 57.571 56.400 -0.037 0.000 0.806 80 E CB -0.216 29.455 29.700 -0.048 0.000 0.750 80 E HN 0.474 nan 8.360 nan 0.000 0.458 81 L N 1.776 122.923 121.223 -0.127 0.000 2.042 81 L HA -0.207 4.127 4.340 -0.010 0.000 0.210 81 L C 1.486 178.267 176.870 -0.148 0.000 1.076 81 L CA 1.948 56.684 54.840 -0.174 0.000 0.749 81 L CB -0.289 41.670 42.059 -0.167 0.000 0.893 81 L HN -0.057 nan 8.230 nan 0.000 0.432 82 D N -0.068 120.277 120.400 -0.092 0.000 2.097 82 D HA -0.178 4.456 4.640 -0.010 0.000 0.195 82 D C 2.296 178.577 176.300 -0.032 0.000 0.989 82 D CA 1.611 55.576 54.000 -0.059 0.000 0.827 82 D CB -0.156 40.641 40.800 -0.005 0.000 0.966 82 D HN 0.331 nan 8.370 nan 0.000 0.456 83 I N 1.135 121.687 120.570 -0.031 0.000 2.286 83 I HA -0.143 4.021 4.170 -0.010 0.000 0.245 83 I C 2.127 178.310 176.117 0.110 0.000 1.104 83 I CA 1.018 62.322 61.300 0.006 0.000 1.397 83 I CB -0.908 37.044 38.000 -0.080 0.000 1.072 83 I HN 0.085 nan 8.210 nan 0.000 0.417 84 E N 0.415 120.604 120.200 -0.018 0.000 2.106 84 E HA -0.126 4.218 4.350 -0.010 0.000 0.192 84 E C 2.397 179.116 176.600 0.198 0.000 0.984 84 E CA 0.929 57.329 56.400 -0.000 0.000 0.806 84 E CB 0.071 29.436 29.700 -0.559 0.000 0.750 84 E HN 0.235 nan 8.360 nan 0.000 0.458 85 V N 1.251 121.187 119.914 0.036 0.000 2.283 85 V HA -0.217 3.897 4.120 -0.010 0.000 0.243 85 V C 2.297 178.446 176.094 0.092 0.000 1.039 85 V CA 1.841 64.158 62.300 0.030 0.000 1.016 85 V CB -0.601 31.115 31.823 -0.177 0.000 0.650 85 V HN 0.302 nan 8.190 nan 0.000 0.449 86 A N 0.449 123.312 122.820 0.071 0.000 1.902 86 A HA -0.075 4.239 4.320 -0.010 0.000 0.217 86 A C 2.375 180.023 177.584 0.107 0.000 1.181 86 A CA 1.929 54.019 52.037 0.089 0.000 0.623 86 A CB -1.181 17.855 19.000 0.059 0.000 0.818 86 A HN 0.535 nan 8.150 nan 0.000 0.443 87 G N -0.761 108.130 108.800 0.152 0.000 2.422 87 G HA2 0.085 4.039 3.960 -0.010 0.000 0.218 87 G HA3 0.085 4.039 3.960 -0.010 0.000 0.218 87 G C 1.637 176.538 174.900 0.001 0.000 1.140 87 G CA 1.192 46.324 45.100 0.053 0.000 0.775 87 G HN 0.769 nan 8.290 nan 0.000 0.545 88 A N 0.160 123.167 122.820 0.311 0.000 2.014 88 A HA 0.271 4.585 4.320 -0.010 0.000 0.218 88 A C 2.259 179.907 177.584 0.106 0.000 1.163 88 A CA 0.818 53.012 52.037 0.261 0.000 0.652 88 A CB -0.168 19.058 19.000 0.377 0.000 0.808 88 A HN 0.357 nan 8.150 nan 0.000 0.449 89 L N -2.047 119.246 121.223 0.117 0.000 2.463 89 L HA 0.247 4.581 4.340 -0.010 0.000 0.219 89 L C 1.283 178.233 176.870 0.132 0.000 1.088 89 L CA 0.624 55.541 54.840 0.128 0.000 0.849 89 L CB 0.169 42.339 42.059 0.185 0.000 1.012 89 L HN 0.325 nan 8.230 nan 0.000 0.468 90 A N 0.120 122.988 122.820 0.079 0.000 3.297 90 A HA 0.384 4.698 4.320 -0.010 0.000 0.304 90 A C -1.830 175.738 177.584 -0.027 0.000 0.963 90 A CA -0.775 51.288 52.037 0.044 0.000 0.935 90 A CB -0.116 18.917 19.000 0.055 0.000 1.093 90 A HN -0.072 nan 8.150 nan 0.000 0.480 91 P HA -0.092 nan 4.420 nan 0.000 0.225 91 P C 1.350 178.580 177.300 -0.115 0.000 1.148 91 P CA 1.634 64.638 63.100 -0.160 0.000 0.779 91 P CB 0.149 31.741 31.700 -0.181 0.000 0.780 92 G N -0.263 108.501 108.800 -0.060 0.000 2.623 92 G HA2 0.208 4.162 3.960 -0.010 0.000 0.214 92 G HA3 0.208 4.162 3.960 -0.010 0.000 0.214 92 G C 0.776 175.659 174.900 -0.029 0.000 1.138 92 G CA 0.355 45.431 45.100 -0.040 0.000 0.794 92 G HN 0.468 nan 8.290 nan 0.000 0.535 93 A N 0.146 122.950 122.820 -0.027 0.000 2.332 93 A HA 0.610 4.924 4.320 -0.010 0.000 0.258 93 A C 0.182 177.756 177.584 -0.015 0.000 1.087 93 A CA -0.310 51.721 52.037 -0.010 0.000 0.802 93 A CB 0.555 19.557 19.000 0.002 0.000 1.042 93 A HN 0.242 nan 8.150 nan 0.000 0.489 94 K N 0.894 121.299 120.400 0.008 0.000 2.156 94 K HA 0.518 4.832 4.320 -0.010 0.000 0.271 94 K C -0.938 175.672 176.600 0.016 0.000 0.995 94 K CA -0.050 56.246 56.287 0.015 0.000 0.890 94 K CB 1.253 33.782 32.500 0.049 0.000 1.073 94 K HN 0.565 nan 8.250 nan 0.000 0.454 95 I N 2.061 122.628 120.570 -0.004 0.000 2.354 95 I HA 0.351 4.515 4.170 -0.010 0.000 0.292 95 I C -0.264 175.828 176.117 -0.041 0.000 0.989 95 I CA -0.826 60.468 61.300 -0.010 0.000 1.188 95 I CB 1.709 39.692 38.000 -0.028 0.000 1.342 95 I HN 0.591 nan 8.210 nan 0.000 0.457 96 A N 6.710 129.509 122.820 -0.036 0.000 2.319 96 A HA 0.690 5.004 4.320 -0.010 0.000 0.310 96 A C -0.693 176.820 177.584 -0.119 0.000 1.152 96 A CA -0.485 51.439 52.037 -0.188 0.000 0.783 96 A CB 1.246 20.097 19.000 -0.247 0.000 1.184 96 A HN 0.457 nan 8.150 nan 0.000 0.474 97 V N 3.376 123.163 119.914 -0.211 0.000 2.347 97 V HA 0.285 4.399 4.120 -0.010 0.000 0.280 97 V C -1.138 174.741 176.094 -0.359 0.000 1.021 97 V CA -0.389 61.807 62.300 -0.175 0.000 0.847 97 V CB 0.300 32.079 31.823 -0.072 0.000 0.990 97 V HN 0.714 nan 8.190 nan 0.000 0.444 98 Y N 4.662 124.803 120.300 -0.265 0.000 2.367 98 Y HA 0.561 5.105 4.550 -0.010 0.000 0.342 98 Y C -0.117 175.584 175.900 -0.332 0.000 0.979 98 Y CA -0.846 57.148 58.100 -0.177 0.000 1.161 98 Y CB 0.741 39.158 38.460 -0.070 0.000 1.155 98 Y HN 0.505 nan 8.280 nan 0.000 0.503 99 F N 2.486 122.481 119.950 0.075 0.000 2.410 99 F HA 0.720 5.241 4.527 -0.010 0.000 0.349 99 F C 0.371 176.171 175.800 -0.001 0.000 1.117 99 F CA -0.538 57.468 58.000 0.009 0.000 1.104 99 F CB 1.175 40.168 39.000 -0.012 0.000 1.122 99 F HN 0.527 nan 8.300 nan 0.000 0.483 100 A N 4.354 127.225 122.820 0.085 0.000 2.527 100 A HA 0.856 5.170 4.320 -0.010 0.000 0.293 100 A C -2.933 174.637 177.584 -0.024 0.000 1.117 100 A CA -2.097 49.964 52.037 0.039 0.000 0.723 100 A CB 1.437 20.452 19.000 0.025 0.000 1.313 100 A HN 0.424 nan 8.150 nan 0.000 0.411 101 P HA 0.082 nan 4.420 nan 0.000 0.269 101 P C -0.549 176.706 177.300 -0.076 0.000 1.215 101 P CA -0.158 62.926 63.100 -0.027 0.000 0.780 101 P CB 0.400 32.101 31.700 0.002 0.000 0.898 102 N N 1.826 120.474 118.700 -0.087 0.000 3.124 102 N HA 0.092 4.826 4.740 -0.010 0.000 0.284 102 N C -0.832 174.651 175.510 -0.045 0.000 1.209 102 N CA 0.140 53.119 53.050 -0.118 0.000 1.149 102 N CB -0.699 37.728 38.487 -0.101 0.000 1.434 102 N HN 0.400 nan 8.380 nan 0.000 0.529 103 T N -2.301 112.249 114.554 -0.006 0.000 2.883 103 T HA 0.325 4.669 4.350 -0.010 0.000 0.296 103 T C 0.647 175.413 174.700 0.110 0.000 1.117 103 T CA -0.732 61.387 62.100 0.031 0.000 1.006 103 T CB 1.348 70.237 68.868 0.034 0.000 1.191 103 T HN -0.145 nan 8.240 nan 0.000 0.508 104 D N 0.920 121.388 120.400 0.114 0.000 2.123 104 D HA -0.035 4.599 4.640 -0.010 0.000 0.196 104 D C 2.276 178.716 176.300 0.234 0.000 0.992 104 D CA 1.850 55.990 54.000 0.233 0.000 0.833 104 D CB -0.605 40.318 40.800 0.205 0.000 0.954 104 D HN 0.757 nan 8.370 nan 0.000 0.455 105 A N 0.512 123.419 122.820 0.144 0.000 1.930 105 A HA 0.046 4.360 4.320 -0.010 0.000 0.217 105 A C 2.355 180.014 177.584 0.124 0.000 1.175 105 A CA 1.852 53.957 52.037 0.113 0.000 0.627 105 A CB -0.916 18.127 19.000 0.072 0.000 0.815 105 A HN 0.301 nan 8.150 nan 0.000 0.443 106 G N -1.484 107.390 108.800 0.124 0.000 2.402 106 G HA2 -0.197 3.757 3.960 -0.010 0.000 0.216 106 G HA3 -0.197 3.757 3.960 -0.010 0.000 0.216 106 G C 1.539 176.548 174.900 0.183 0.000 1.162 106 G CA 0.907 46.073 45.100 0.109 0.000 0.777 106 G HN 0.513 nan 8.290 nan 0.000 0.539 107 F N 0.243 120.222 119.950 0.049 0.000 2.075 107 F HA -0.093 4.428 4.527 -0.010 0.000 0.297 107 F C 2.447 178.292 175.800 0.076 0.000 1.113 107 F CA 0.887 58.933 58.000 0.077 0.000 1.218 107 F CB 0.069 39.190 39.000 0.203 0.000 0.984 107 F HN 0.172 nan 8.300 nan 0.000 0.472 108 L N 1.211 122.573 121.223 0.231 0.000 2.012 108 L HA -0.289 4.045 4.340 -0.010 0.000 0.210 108 L C 1.670 178.570 176.870 0.051 0.000 1.073 108 L CA 2.279 57.144 54.840 0.041 0.000 0.748 108 L CB -1.242 40.833 42.059 0.028 0.000 0.891 108 L HN 0.121 nan 8.230 nan 0.000 0.431 109 N N -0.613 118.139 118.700 0.086 0.000 2.223 109 N HA -0.161 4.573 4.740 -0.010 0.000 0.185 109 N C 1.815 177.376 175.510 0.085 0.000 1.016 109 N CA 0.938 54.032 53.050 0.072 0.000 0.863 109 N CB -0.262 38.271 38.487 0.076 0.000 0.983 109 N HN 0.549 nan 8.380 nan 0.000 0.429 110 A N 1.274 124.164 122.820 0.116 0.000 1.898 110 A HA -0.088 4.227 4.320 -0.010 0.000 0.216 110 A C 2.120 179.704 177.584 -0.001 0.000 1.181 110 A CA 0.961 53.058 52.037 0.099 0.000 0.620 110 A CB -0.528 18.547 19.000 0.125 0.000 0.819 110 A HN 0.161 nan 8.150 nan 0.000 0.442 111 I N 0.255 120.853 120.570 0.046 0.000 2.179 111 I HA -0.242 3.922 4.170 -0.010 0.000 0.242 111 I C 2.906 178.997 176.117 -0.044 0.000 1.088 111 I CA 1.906 63.201 61.300 -0.008 0.000 1.357 111 I CB -0.571 37.425 38.000 -0.007 0.000 1.051 111 I HN 0.541 nan 8.210 nan 0.000 0.409 112 T N -2.674 111.881 114.554 0.003 0.000 2.867 112 T HA -0.135 4.209 4.350 -0.010 0.000 0.268 112 T C 1.823 176.612 174.700 0.149 0.000 1.057 112 T CA 1.758 63.922 62.100 0.107 0.000 1.136 112 T CB -0.804 68.109 68.868 0.075 0.000 0.874 112 T HN 0.214 nan 8.240 nan 0.000 0.466 113 T N 2.079 116.672 114.554 0.064 0.000 2.708 113 T HA 0.115 4.459 4.350 -0.010 0.000 0.266 113 T C 2.478 177.186 174.700 0.013 0.000 1.037 113 T CA 1.312 63.468 62.100 0.094 0.000 1.146 113 T CB -0.828 68.134 68.868 0.157 0.000 0.865 113 T HN 0.609 nan 8.240 nan 0.000 0.435 114 A N 0.997 123.621 122.820 -0.326 0.000 1.877 114 A HA -0.049 4.265 4.320 -0.010 0.000 0.216 114 A C 2.583 180.038 177.584 -0.215 0.000 1.186 114 A CA 1.386 53.046 52.037 -0.629 0.000 0.620 114 A CB -1.096 17.249 19.000 -1.091 0.000 0.822 114 A HN 0.336 nan 8.150 nan 0.000 0.443 115 V N -0.298 119.502 119.914 -0.190 0.000 2.392 115 V HA -0.266 3.848 4.120 -0.010 0.000 0.249 115 V C 1.917 177.816 176.094 -0.324 0.000 1.059 115 V CA 2.385 64.533 62.300 -0.255 0.000 1.051 115 V CB -1.023 30.595 31.823 -0.342 0.000 0.658 115 V HN 0.772 nan 8.190 nan 0.000 0.455 116 H N -1.789 117.273 119.070 -0.014 0.000 2.549 116 H HA 0.206 4.756 4.556 -0.010 0.000 0.279 116 H C 0.482 175.834 175.328 0.041 0.000 1.018 116 H CA -0.400 55.654 56.048 0.009 0.000 1.175 116 H CB 0.008 29.771 29.762 0.001 0.000 1.485 116 H HN 0.249 nan 8.280 nan 0.000 0.543 117 D N 2.755 123.242 120.400 0.145 0.000 2.389 117 D HA -0.037 4.597 4.640 -0.010 0.000 0.263 117 D C -1.373 175.000 176.300 0.122 0.000 1.255 117 D CA -1.625 52.483 54.000 0.180 0.000 0.914 117 D CB 1.133 42.116 40.800 0.305 0.000 1.116 117 D HN 0.230 nan 8.370 nan 0.000 0.502 118 P HA -0.007 nan 4.420 nan 0.000 0.245 118 P C 0.891 178.186 177.300 -0.008 0.000 1.206 118 P CA 0.310 63.434 63.100 0.040 0.000 0.781 118 P CB 0.621 32.343 31.700 0.035 0.000 0.994 119 T N -1.223 113.296 114.554 -0.059 0.000 2.953 119 T HA 0.017 4.361 4.350 -0.010 0.000 0.247 119 T C 1.594 176.123 174.700 -0.284 0.000 1.029 119 T CA 0.966 62.930 62.100 -0.227 0.000 1.144 119 T CB -0.437 68.188 68.868 -0.403 0.000 0.870 119 T HN 0.258 nan 8.240 nan 0.000 0.446 120 H N 1.050 120.175 119.070 0.092 0.000 2.547 120 H HA 0.280 4.830 4.556 -0.010 0.000 0.272 120 H C 0.413 175.794 175.328 0.089 0.000 0.971 120 H CA 0.355 56.460 56.048 0.096 0.000 1.245 120 H CB 0.136 29.979 29.762 0.136 0.000 1.440 120 H HN 0.310 nan 8.280 nan 0.000 0.540 121 K N 1.349 121.848 120.400 0.165 0.000 3.730 121 K HA -0.118 4.196 4.320 -0.010 0.000 0.276 121 K C -2.574 174.083 176.600 0.094 0.000 0.904 121 K CA -0.009 56.337 56.287 0.099 0.000 0.741 121 K CB -0.834 31.701 32.500 0.058 0.000 1.542 121 K HN 0.394 nan 8.250 nan 0.000 0.446 122 P HA -0.004 nan 4.420 nan 0.000 0.275 122 P C 0.342 177.659 177.300 0.029 0.000 1.228 122 P CA -0.094 63.052 63.100 0.077 0.000 0.786 122 P CB 1.528 33.279 31.700 0.085 0.000 0.927 123 S N 1.433 117.148 115.700 0.026 0.000 2.524 123 S HA 0.209 4.673 4.470 -0.010 0.000 0.215 123 S C 0.712 175.316 174.600 0.006 0.000 0.986 123 S CA -0.072 58.134 58.200 0.009 0.000 0.911 123 S CB 0.014 63.220 63.200 0.010 0.000 0.805 123 S HN 0.310 nan 8.310 nan 0.000 0.501 124 I N 1.649 122.228 120.570 0.014 0.000 2.656 124 I HA 0.496 4.660 4.170 -0.010 0.000 0.292 124 I C -1.283 174.845 176.117 0.018 0.000 1.144 124 I CA -0.941 60.368 61.300 0.015 0.000 1.038 124 I CB 2.099 40.114 38.000 0.024 0.000 1.244 124 I HN -0.088 nan 8.210 nan 0.000 0.420 125 V N 3.562 123.483 119.914 0.012 0.000 2.531 125 V HA 0.477 4.591 4.120 -0.010 0.000 0.301 125 V C -0.044 176.069 176.094 0.032 0.000 1.034 125 V CA -0.571 61.738 62.300 0.015 0.000 0.865 125 V CB 2.001 33.825 31.823 0.001 0.000 0.995 125 V HN 0.820 nan 8.190 nan 0.000 0.424 126 S N 5.053 120.786 115.700 0.055 0.000 2.449 126 S HA 0.830 5.294 4.470 -0.010 0.000 0.310 126 S C -0.928 173.737 174.600 0.109 0.000 1.096 126 S CA -0.372 57.867 58.200 0.066 0.000 1.095 126 S CB 0.632 63.867 63.200 0.059 0.000 1.007 126 S HN 0.474 nan 8.310 nan 0.000 0.474 127 I N 3.898 124.544 120.570 0.126 0.000 2.466 127 I HA 0.382 4.546 4.170 -0.010 0.000 0.289 127 I C 0.340 176.585 176.117 0.213 0.000 1.026 127 I CA 0.080 61.521 61.300 0.234 0.000 1.078 127 I CB 2.240 40.407 38.000 0.278 0.000 1.249 127 I HN 0.562 nan 8.210 nan 0.000 0.429 128 S N 3.906 119.762 115.700 0.260 0.000 2.754 128 S HA 0.287 4.751 4.470 -0.010 0.000 0.247 128 S C -0.919 173.668 174.600 -0.021 0.000 1.031 128 S CA -0.379 57.867 58.200 0.076 0.000 1.014 128 S CB -0.019 63.149 63.200 -0.054 0.000 0.918 128 S HN 0.492 nan 8.310 nan 0.000 0.519 129 W N 0.690 122.059 121.300 0.116 0.000 2.761 129 W HA 0.765 5.420 4.660 -0.009 0.000 0.340 129 W C 0.455 177.178 176.519 0.341 0.000 1.072 129 W CA -0.369 57.039 57.345 0.105 0.000 1.215 129 W CB 1.374 30.733 29.460 -0.169 0.000 1.420 129 W HN 0.166 nan 8.180 nan 0.000 0.519 130 G N -0.258 108.894 108.800 0.586 0.000 2.342 130 G HA2 0.599 4.553 3.960 -0.010 0.000 0.297 130 G HA3 0.599 4.553 3.960 -0.010 0.000 0.297 130 G C -1.271 173.978 174.900 0.581 0.000 1.313 130 G CA -0.041 45.483 45.100 0.706 0.000 0.830 130 G HN 0.944 nan 8.290 nan 0.000 0.506 131 G N -1.217 108.013 108.800 0.716 0.000 2.646 131 G HA2 0.700 4.654 3.960 -0.010 0.000 0.291 131 G HA3 0.700 4.654 3.960 -0.010 0.000 0.291 131 G C -3.418 171.859 174.900 0.628 0.000 1.445 131 G CA -1.009 44.393 45.100 0.503 0.000 0.814 131 G HN 0.509 nan 8.290 nan 0.000 0.495 132 P HA 0.042 nan 4.420 nan 0.000 0.261 132 P C 0.981 178.598 177.300 0.528 0.000 1.173 132 P CA 0.308 63.618 63.100 0.350 0.000 0.760 132 P CB 0.621 32.386 31.700 0.108 0.000 0.783 133 E N 2.607 123.079 120.200 0.454 0.000 2.209 133 E HA -0.247 4.097 4.350 -0.010 0.000 0.196 133 E C 0.257 177.022 176.600 0.275 0.000 0.993 133 E CA 1.504 58.114 56.400 0.351 0.000 0.819 133 E CB -0.538 29.322 29.700 0.266 0.000 0.745 133 E HN 0.445 nan 8.360 nan 0.000 0.477 134 D N 1.067 121.623 120.400 0.259 0.000 2.328 134 D HA -0.056 4.578 4.640 -0.010 0.000 0.226 134 D C 1.377 177.771 176.300 0.156 0.000 1.066 134 D CA 0.672 54.781 54.000 0.182 0.000 0.861 134 D CB 0.388 41.309 40.800 0.201 0.000 0.912 134 D HN 0.269 nan 8.370 nan 0.000 0.521 135 S N -1.744 114.080 115.700 0.207 0.000 2.524 135 S HA 0.118 4.582 4.470 -0.010 0.000 0.215 135 S C 0.113 174.770 174.600 0.095 0.000 0.986 135 S CA -0.829 57.428 58.200 0.094 0.000 0.911 135 S CB -0.375 62.840 63.200 0.024 0.000 0.805 135 S HN 0.162 nan 8.310 nan 0.000 0.501 136 W N 2.308 123.622 121.300 0.024 0.000 2.316 136 W HA 0.714 5.368 4.660 -0.010 0.000 0.321 136 W C 0.561 177.062 176.519 -0.030 0.000 1.203 136 W CA -0.614 56.736 57.345 0.009 0.000 1.214 136 W CB 0.717 30.155 29.460 -0.038 0.000 1.169 136 W HN 0.211 nan 8.180 nan 0.000 0.561 137 A N 5.108 128.063 122.820 0.225 0.000 2.511 137 A HA 0.164 4.478 4.320 -0.010 0.000 0.242 137 A C -1.534 176.104 177.584 0.089 0.000 1.069 137 A CA -0.749 51.359 52.037 0.119 0.000 0.763 137 A CB -0.013 19.044 19.000 0.094 0.000 1.001 137 A HN 0.551 nan 8.150 nan 0.000 0.498 138 P HA -0.213 nan 4.420 nan 0.000 0.216 138 P C 1.651 178.929 177.300 -0.036 0.000 1.150 138 P CA 2.315 65.394 63.100 -0.035 0.000 0.843 138 P CB 0.180 31.857 31.700 -0.039 0.000 0.787 139 A N -0.940 121.879 122.820 -0.001 0.000 1.933 139 A HA -0.189 4.125 4.320 -0.010 0.000 0.218 139 A C 2.503 180.093 177.584 0.010 0.000 1.175 139 A CA 2.135 54.172 52.037 0.001 0.000 0.628 139 A CB -1.595 17.414 19.000 0.014 0.000 0.814 139 A HN 0.192 nan 8.150 nan 0.000 0.444 140 S N -0.512 115.224 115.700 0.059 0.000 2.368 140 S HA -0.090 4.374 4.470 -0.010 0.000 0.224 140 S C 1.908 176.486 174.600 -0.037 0.000 1.029 140 S CA 1.272 59.538 58.200 0.110 0.000 0.988 140 S CB -0.486 62.913 63.200 0.331 0.000 0.838 140 S HN 0.496 nan 8.310 nan 0.000 0.462 141 I N 1.542 122.010 120.570 -0.169 0.000 2.179 141 I HA -0.186 3.978 4.170 -0.010 0.000 0.242 141 I C 2.827 178.831 176.117 -0.188 0.000 1.088 141 I CA 1.191 62.191 61.300 -0.500 0.000 1.357 141 I CB -0.675 36.960 38.000 -0.608 0.000 1.051 141 I HN 0.375 nan 8.210 nan 0.000 0.409 142 A N 0.837 123.595 122.820 -0.103 0.000 1.883 142 A HA -0.230 4.084 4.320 -0.010 0.000 0.217 142 A C 2.532 180.102 177.584 -0.022 0.000 1.186 142 A CA 2.167 54.188 52.037 -0.026 0.000 0.624 142 A CB -0.889 18.093 19.000 -0.030 0.000 0.822 142 A HN 0.466 nan 8.150 nan 0.000 0.444 143 A N -0.942 121.852 122.820 -0.045 0.000 1.898 143 A HA -0.078 4.236 4.320 -0.010 0.000 0.216 143 A C 2.284 179.786 177.584 -0.137 0.000 1.181 143 A CA 1.774 53.772 52.037 -0.065 0.000 0.620 143 A CB -0.501 18.475 19.000 -0.040 0.000 0.819 143 A HN 0.531 nan 8.150 nan 0.000 0.442 144 M N -0.614 118.891 119.600 -0.158 0.000 2.086 144 M HA -0.161 4.313 4.480 -0.010 0.000 0.261 144 M C 2.280 178.284 176.300 -0.493 0.000 1.067 144 M CA 1.763 56.842 55.300 -0.368 0.000 1.116 144 M CB -0.488 32.025 32.600 -0.145 0.000 1.348 144 M HN 0.648 nan 8.290 nan 0.000 0.407 145 N N 0.235 118.940 118.700 0.009 0.000 2.104 145 N HA -0.220 4.514 4.740 -0.010 0.000 0.190 145 N C 1.822 177.346 175.510 0.022 0.000 1.024 145 N CA 1.353 54.534 53.050 0.217 0.000 0.853 145 N CB 0.037 38.778 38.487 0.423 0.000 1.008 145 N HN 0.122 nan 8.380 nan 0.000 0.424 146 R N 1.003 121.469 120.500 -0.057 0.000 2.092 146 R HA 0.044 4.378 4.340 -0.010 0.000 0.231 146 R C 2.100 178.294 176.300 -0.177 0.000 1.119 146 R CA 1.531 57.566 56.100 -0.108 0.000 0.970 146 R CB -0.768 29.488 30.300 -0.075 0.000 0.864 146 R HN 0.293 nan 8.270 nan 0.000 0.440 147 A N -0.426 122.239 122.820 -0.259 0.000 1.933 147 A HA -0.104 4.210 4.320 -0.010 0.000 0.218 147 A C 1.828 179.278 177.584 -0.223 0.000 1.175 147 A CA 1.364 53.243 52.037 -0.264 0.000 0.628 147 A CB -0.682 18.094 19.000 -0.374 0.000 0.814 147 A HN 0.347 nan 8.150 nan 0.000 0.444 148 F N -0.486 119.387 119.950 -0.128 0.000 2.206 148 F HA -0.014 4.508 4.527 -0.010 0.000 0.298 148 F C 2.025 177.623 175.800 -0.337 0.000 1.090 148 F CA 0.574 58.475 58.000 -0.165 0.000 1.323 148 F CB -0.907 38.040 39.000 -0.088 0.000 1.028 148 F HN 0.237 nan 8.300 nan 0.000 0.492 149 L N -0.113 120.875 121.223 -0.392 0.000 2.083 149 L HA -0.213 4.121 4.340 -0.010 0.000 0.209 149 L C 1.975 178.572 176.870 -0.455 0.000 1.083 149 L CA 1.615 55.899 54.840 -0.927 0.000 0.752 149 L CB -0.436 41.066 42.059 -0.929 0.000 0.899 149 L HN -0.033 nan 8.230 nan 0.000 0.433 150 D N 0.277 120.527 120.400 -0.249 0.000 2.117 150 D HA -0.161 4.473 4.640 -0.010 0.000 0.197 150 D C 2.235 178.453 176.300 -0.136 0.000 0.987 150 D CA 1.433 55.353 54.000 -0.134 0.000 0.829 150 D CB -0.104 40.680 40.800 -0.026 0.000 0.961 150 D HN 0.519 nan 8.370 nan 0.000 0.460 151 A N 1.019 123.758 122.820 -0.135 0.000 1.902 151 A HA -0.052 4.262 4.320 -0.010 0.000 0.217 151 A C 2.315 179.835 177.584 -0.108 0.000 1.181 151 A CA 2.162 54.127 52.037 -0.121 0.000 0.623 151 A CB -0.695 18.278 19.000 -0.044 0.000 0.818 151 A HN 0.233 nan 8.150 nan 0.000 0.443 152 A N -0.114 122.610 122.820 -0.160 0.000 1.902 152 A HA 0.147 4.461 4.320 -0.010 0.000 0.217 152 A C 2.471 180.013 177.584 -0.069 0.000 1.181 152 A CA 2.058 54.007 52.037 -0.146 0.000 0.623 152 A CB -0.964 17.787 19.000 -0.415 0.000 0.818 152 A HN 1.090 nan 8.150 nan 0.000 0.443 153 A N -0.741 122.015 122.820 -0.106 0.000 2.015 153 A HA 0.081 4.395 4.320 -0.010 0.000 0.219 153 A C 1.938 179.503 177.584 -0.031 0.000 1.163 153 A CA 1.265 53.271 52.037 -0.052 0.000 0.646 153 A CB -0.422 18.539 19.000 -0.065 0.000 0.806 153 A HN 0.460 nan 8.150 nan 0.000 0.448 154 L N -1.272 119.920 121.223 -0.051 0.000 2.591 154 L HA 0.202 4.536 4.340 -0.010 0.000 0.228 154 L C 1.487 178.338 176.870 -0.032 0.000 1.133 154 L CA 0.504 55.316 54.840 -0.046 0.000 0.880 154 L CB -0.025 41.978 42.059 -0.093 0.000 1.033 154 L HN 0.565 nan 8.230 nan 0.000 0.450 155 G N 0.546 109.337 108.800 -0.016 0.000 2.160 155 G HA2 -0.222 3.732 3.960 -0.010 0.000 0.244 155 G HA3 -0.222 3.732 3.960 -0.010 0.000 0.244 155 G C -0.108 174.788 174.900 -0.006 0.000 1.022 155 G CA 0.014 45.115 45.100 0.001 0.000 0.741 155 G HN 0.104 nan 8.290 nan 0.000 0.508 156 V N 1.092 120.995 119.914 -0.018 0.000 2.384 156 V HA 0.563 4.677 4.120 -0.010 0.000 0.287 156 V C 0.767 176.861 176.094 -0.000 0.000 1.020 156 V CA -0.242 62.046 62.300 -0.021 0.000 0.850 156 V CB 1.706 33.496 31.823 -0.055 0.000 0.987 156 V HN 0.337 nan 8.190 nan 0.000 0.436 157 T N 4.797 119.356 114.554 0.009 0.000 2.832 157 T HA 0.459 4.803 4.350 -0.010 0.000 0.296 157 T C -0.152 174.550 174.700 0.002 0.000 0.968 157 T CA -0.189 61.924 62.100 0.021 0.000 1.107 157 T CB 1.181 70.058 68.868 0.014 0.000 0.916 157 T HN 0.379 nan 8.240 nan 0.000 0.517 158 V N 5.014 124.918 119.914 -0.017 0.000 2.444 158 V HA 0.455 4.569 4.120 -0.010 0.000 0.294 158 V C -0.506 175.531 176.094 -0.095 0.000 1.022 158 V CA -0.855 61.403 62.300 -0.071 0.000 0.850 158 V CB 1.253 32.982 31.823 -0.156 0.000 0.992 158 V HN 0.645 nan 8.190 nan 0.000 0.426 159 L N 4.154 125.346 121.223 -0.050 0.000 2.334 159 L HA 0.955 5.289 4.340 -0.010 0.000 0.276 159 L C 0.166 177.015 176.870 -0.035 0.000 1.014 159 L CA -0.216 54.613 54.840 -0.019 0.000 0.815 159 L CB 1.933 44.024 42.059 0.054 0.000 1.268 159 L HN 0.776 nan 8.230 nan 0.000 0.428 160 A N 1.718 124.518 122.820 -0.034 0.000 2.486 160 A HA 0.879 5.193 4.320 -0.010 0.000 0.300 160 A C -0.604 177.004 177.584 0.041 0.000 1.048 160 A CA -0.525 51.507 52.037 -0.009 0.000 0.696 160 A CB 1.381 20.320 19.000 -0.102 0.000 1.278 160 A HN 0.793 nan 8.150 nan 0.000 0.405 161 A N 0.896 123.758 122.820 0.071 0.000 2.511 161 A HA 0.505 4.819 4.320 -0.010 0.000 0.242 161 A C 1.251 178.902 177.584 0.112 0.000 1.069 161 A CA 0.421 52.510 52.037 0.086 0.000 0.763 161 A CB 0.051 19.095 19.000 0.073 0.000 1.001 161 A HN 2.137 nan 8.150 nan 0.000 0.498 162 A N 2.062 124.959 122.820 0.129 0.000 2.169 162 A HA 0.507 4.821 4.320 -0.010 0.000 0.212 162 A C 1.273 178.956 177.584 0.165 0.000 1.153 162 A CA 1.184 53.306 52.037 0.142 0.000 0.756 162 A CB -0.704 18.378 19.000 0.137 0.000 0.813 162 A HN 2.743 nan 8.150 nan 0.000 0.471 163 G N -1.430 107.476 108.800 0.177 0.000 2.428 163 G HA2 0.187 4.141 3.960 -0.010 0.000 0.681 163 G HA3 0.187 4.141 3.960 -0.010 0.000 0.681 163 G C -0.931 174.089 174.900 0.200 0.000 1.340 163 G CA -0.072 45.135 45.100 0.178 0.000 0.915 163 G HN -0.017 nan 8.290 nan 0.000 0.645 164 D N -0.306 120.197 120.400 0.173 0.000 2.469 164 D HA 0.227 4.861 4.640 -0.010 0.000 0.215 164 D C 1.749 178.025 176.300 -0.040 0.000 1.154 164 D CA 0.834 54.940 54.000 0.176 0.000 0.832 164 D CB 0.685 41.674 40.800 0.315 0.000 1.008 164 D HN 0.667 nan 8.370 nan 0.000 0.506 165 S N -0.521 115.172 115.700 -0.012 0.000 2.624 165 S HA 0.531 4.995 4.470 -0.010 0.000 0.246 165 S C 1.115 175.699 174.600 -0.027 0.000 1.072 165 S CA -0.052 58.132 58.200 -0.026 0.000 1.045 165 S CB 0.590 63.807 63.200 0.029 0.000 0.851 165 S HN 0.266 nan 8.310 nan 0.000 0.480 166 G N 2.682 111.430 108.800 -0.087 0.000 2.601 166 G HA2 -0.341 3.613 3.960 -0.010 0.000 0.261 166 G HA3 -0.341 3.613 3.960 -0.010 0.000 0.261 166 G C 0.832 175.793 174.900 0.101 0.000 1.289 166 G CA 0.216 45.299 45.100 -0.028 0.000 0.920 166 G HN 1.324 nan 8.290 nan 0.000 0.571 167 S N -1.363 114.437 115.700 0.168 0.000 2.515 167 S HA 0.059 4.524 4.470 -0.010 0.000 0.231 167 S C 1.965 176.804 174.600 0.399 0.000 0.987 167 S CA 2.003 60.389 58.200 0.309 0.000 0.936 167 S CB -0.313 63.078 63.200 0.319 0.000 0.766 167 S HN 1.841 nan 8.310 nan 0.000 0.528 168 T N -2.208 112.516 114.554 0.283 0.000 3.044 168 T HA 0.206 4.550 4.350 -0.010 0.000 0.250 168 T C 0.365 175.228 174.700 0.272 0.000 1.081 168 T CA 0.328 62.582 62.100 0.257 0.000 1.040 168 T CB -0.497 68.437 68.868 0.109 0.000 0.962 168 T HN 0.285 nan 8.240 nan 0.000 0.506 169 D N 1.376 121.899 120.400 0.204 0.000 2.811 169 D HA -0.145 4.490 4.640 -0.010 0.000 0.231 169 D C 1.252 177.616 176.300 0.107 0.000 1.157 169 D CA 1.565 55.666 54.000 0.169 0.000 0.716 169 D CB -1.534 39.404 40.800 0.231 0.000 1.077 169 D HN 0.853 nan 8.370 nan 0.000 0.428 170 G N -1.036 107.812 108.800 0.079 0.000 2.176 170 G HA2 -0.321 3.633 3.960 -0.010 0.000 0.253 170 G HA3 -0.321 3.633 3.960 -0.010 0.000 0.253 170 G C 0.100 175.010 174.900 0.017 0.000 0.979 170 G CA 0.416 45.542 45.100 0.043 0.000 0.641 170 G HN 0.541 nan 8.290 nan 0.000 0.530 171 E N 0.356 120.562 120.200 0.011 0.000 2.242 171 E HA 0.480 4.824 4.350 -0.010 0.000 0.275 171 E C 0.290 176.908 176.600 0.029 0.000 1.002 171 E CA -0.483 55.897 56.400 -0.034 0.000 0.841 171 E CB 0.655 30.207 29.700 -0.247 0.000 1.109 171 E HN 0.573 nan 8.360 nan 0.000 0.394 172 Q N 1.671 121.479 119.800 0.013 0.000 2.851 172 Q HA 0.174 4.508 4.340 -0.010 0.000 0.331 172 Q C -0.876 175.134 176.000 0.016 0.000 0.979 172 Q CA -0.365 55.444 55.803 0.010 0.000 0.955 172 Q CB 0.122 28.860 28.738 -0.000 0.000 1.298 172 Q HN 0.438 nan 8.270 nan 0.000 0.432 173 D N 0.247 120.676 120.400 0.048 0.000 2.563 173 D HA 0.145 4.780 4.640 -0.010 0.000 0.237 173 D C 0.964 177.276 176.300 0.020 0.000 1.282 173 D CA -0.030 54.000 54.000 0.051 0.000 0.816 173 D CB 0.286 41.145 40.800 0.099 0.000 1.066 173 D HN 0.563 nan 8.370 nan 0.000 0.501 174 G N 0.509 109.290 108.800 -0.033 0.000 2.153 174 G HA2 -0.246 3.708 3.960 -0.010 0.000 0.252 174 G HA3 -0.246 3.708 3.960 -0.010 0.000 0.252 174 G C -0.131 174.657 174.900 -0.186 0.000 0.994 174 G CA 0.750 45.789 45.100 -0.101 0.000 0.698 174 G HN 0.442 nan 8.290 nan 0.000 0.521 175 L N -1.918 119.175 121.223 -0.217 0.000 2.341 175 L HA 0.689 5.023 4.340 -0.010 0.000 0.254 175 L C -0.068 176.436 176.870 -0.610 0.000 1.040 175 L CA -1.701 52.914 54.840 -0.374 0.000 0.837 175 L CB 1.371 43.256 42.059 -0.289 0.000 1.425 175 L HN 0.041 nan 8.230 nan 0.000 0.414 176 Y N -0.265 119.861 120.300 -0.290 0.000 2.320 176 Y HA 0.493 5.037 4.550 -0.010 0.000 0.324 176 Y C 0.002 175.658 175.900 -0.407 0.000 1.190 176 Y CA -0.288 57.703 58.100 -0.181 0.000 1.215 176 Y CB 1.057 39.514 38.460 -0.005 0.000 1.221 176 Y HN 0.303 nan 8.280 nan 0.000 0.486 177 H N 0.749 119.995 119.070 0.294 0.000 2.974 177 H HA 0.484 5.034 4.556 -0.010 0.000 0.366 177 H C -1.130 174.341 175.328 0.239 0.000 1.155 177 H CA -0.925 55.261 56.048 0.230 0.000 1.186 177 H CB 1.778 31.647 29.762 0.178 0.000 1.799 177 H HN 0.530 nan 8.280 nan 0.000 0.541 178 V N -0.491 119.629 119.914 0.344 0.000 2.732 178 V HA 0.420 4.534 4.120 -0.010 0.000 0.310 178 V C 0.076 176.363 176.094 0.321 0.000 1.053 178 V CA -0.837 61.637 62.300 0.289 0.000 0.957 178 V CB 1.972 33.938 31.823 0.238 0.000 1.018 178 V HN 0.642 nan 8.190 nan 0.000 0.452 179 D N 1.122 121.698 120.400 0.294 0.000 2.283 179 D HA 0.515 5.149 4.640 -0.010 0.000 0.248 179 D C -1.147 175.368 176.300 0.358 0.000 1.072 179 D CA -0.037 54.165 54.000 0.337 0.000 0.929 179 D CB 1.314 42.282 40.800 0.279 0.000 1.182 179 D HN 0.613 nan 8.370 nan 0.000 0.433 180 F N 3.135 123.239 119.950 0.257 0.000 2.532 180 F HA 0.438 4.959 4.527 -0.010 0.000 0.321 180 F C -1.744 174.173 175.800 0.195 0.000 1.089 180 F CA -2.331 55.713 58.000 0.073 0.000 0.926 180 F CB 2.213 41.044 39.000 -0.282 0.000 1.168 180 F HN 0.235 nan 8.300 nan 0.000 0.459 181 P HA -0.028 nan 4.420 nan 0.000 0.242 181 P C 0.840 177.718 177.300 -0.703 0.000 1.197 181 P CA 1.110 63.408 63.100 -1.337 0.000 0.765 181 P CB -0.076 31.091 31.700 -0.890 0.000 0.936 182 A N 1.234 123.904 122.820 -0.251 0.000 1.986 182 A HA -0.116 4.198 4.320 -0.010 0.000 0.220 182 A C 2.418 179.961 177.584 -0.069 0.000 1.171 182 A CA 1.982 53.950 52.037 -0.114 0.000 0.640 182 A CB -1.411 17.610 19.000 0.034 0.000 0.811 182 A HN 0.271 nan 8.150 nan 0.000 0.451 183 A N -0.580 122.265 122.820 0.041 0.000 2.067 183 A HA 0.145 4.459 4.320 -0.010 0.000 0.219 183 A C 1.625 179.142 177.584 -0.112 0.000 1.158 183 A CA 0.999 53.130 52.037 0.155 0.000 0.661 183 A CB -0.748 18.521 19.000 0.448 0.000 0.801 183 A HN 0.590 nan 8.150 nan 0.000 0.452 184 S N 0.677 116.208 115.700 -0.282 0.000 2.546 184 S HA 0.146 4.610 4.470 -0.010 0.000 0.290 184 S C -1.011 173.320 174.600 -0.449 0.000 1.290 184 S CA -0.639 57.196 58.200 -0.607 0.000 1.069 184 S CB 0.679 63.744 63.200 -0.225 0.000 0.846 184 S HN 0.312 nan 8.310 nan 0.000 0.495 185 P HA -0.041 nan 4.420 nan 0.000 0.230 185 P C 0.161 177.336 177.300 -0.207 0.000 1.158 185 P CA 1.047 63.995 63.100 -0.253 0.000 0.769 185 P CB -0.130 31.351 31.700 -0.365 0.000 0.807 186 Y N -0.952 119.308 120.300 -0.067 0.000 2.457 186 Y HA 0.151 4.695 4.550 -0.010 0.000 0.263 186 Y C 1.131 176.904 175.900 -0.212 0.000 1.164 186 Y CA -0.288 57.671 58.100 -0.236 0.000 1.274 186 Y CB 0.415 38.698 38.460 -0.294 0.000 1.097 186 Y HN -0.286 nan 8.280 nan 0.000 0.523 187 V N 1.224 121.051 119.914 -0.144 0.000 2.581 187 V HA 0.199 4.313 4.120 -0.010 0.000 0.303 187 V C -0.551 175.499 176.094 -0.073 0.000 1.041 187 V CA -1.206 60.941 62.300 -0.254 0.000 0.907 187 V CB 2.155 33.639 31.823 -0.565 0.000 0.994 187 V HN -0.072 nan 8.190 nan 0.000 0.442 188 L N 4.918 126.116 121.223 -0.042 0.000 2.363 188 L HA 0.573 4.907 4.340 -0.010 0.000 0.286 188 L C 0.622 177.511 176.870 0.031 0.000 1.106 188 L CA 0.144 54.995 54.840 0.019 0.000 0.859 188 L CB 0.166 42.239 42.059 0.023 0.000 1.223 188 L HN 0.767 nan 8.230 nan 0.000 0.446 189 A N 5.003 127.863 122.820 0.066 0.000 2.404 189 A HA 0.417 4.731 4.320 -0.010 0.000 0.273 189 A C -0.181 177.478 177.584 0.125 0.000 1.144 189 A CA -0.366 51.719 52.037 0.080 0.000 0.806 189 A CB -0.201 18.861 19.000 0.103 0.000 1.080 189 A HN 0.798 nan 8.150 nan 0.000 0.509 190 C N 3.569 122.946 119.300 0.129 0.000 2.264 190 C HA 0.660 5.114 4.460 -0.010 0.000 0.322 190 C C 1.270 176.352 174.990 0.153 0.000 1.210 190 C CA -0.423 58.700 59.018 0.174 0.000 1.539 190 C CB 0.043 27.888 27.740 0.175 0.000 2.167 190 C HN 1.055 nan 8.230 nan 0.000 0.463 191 G N 2.019 110.914 108.800 0.158 0.000 2.532 191 G HA2 0.705 4.659 3.960 -0.010 0.000 0.291 191 G HA3 0.705 4.659 3.960 -0.010 0.000 0.291 191 G C -0.180 174.837 174.900 0.195 0.000 1.349 191 G CA -0.317 44.878 45.100 0.158 0.000 1.038 191 G HN 0.993 nan 8.290 nan 0.000 0.518 192 G N -1.353 107.599 108.800 0.253 0.000 2.571 192 G HA2 0.652 4.606 3.960 -0.010 0.000 0.304 192 G HA3 0.652 4.606 3.960 -0.010 0.000 0.304 192 G C -0.427 174.672 174.900 0.331 0.000 1.314 192 G CA 0.168 45.453 45.100 0.310 0.000 0.975 192 G HN 0.986 nan 8.290 nan 0.000 0.485 193 T N -1.655 113.058 114.554 0.264 0.000 2.888 193 T HA 0.696 5.040 4.350 -0.010 0.000 0.288 193 T C -0.396 174.425 174.700 0.202 0.000 1.063 193 T CA -0.960 61.292 62.100 0.253 0.000 1.010 193 T CB 2.256 71.259 68.868 0.225 0.000 1.214 193 T HN 0.601 nan 8.240 nan 0.000 0.533 194 R N 0.919 121.538 120.500 0.197 0.000 2.265 194 R HA 0.600 4.934 4.340 -0.010 0.000 0.328 194 R C -1.460 174.917 176.300 0.127 0.000 0.969 194 R CA -0.843 55.340 56.100 0.138 0.000 0.832 194 R CB 0.564 30.958 30.300 0.157 0.000 1.139 194 R HN 0.617 nan 8.270 nan 0.000 0.457 195 L N 5.498 126.784 121.223 0.105 0.000 2.296 195 L HA 0.414 4.748 4.340 -0.010 0.000 0.286 195 L C -1.363 175.575 176.870 0.114 0.000 1.023 195 L CA -0.470 54.417 54.840 0.078 0.000 0.812 195 L CB 1.967 44.004 42.059 -0.036 0.000 1.223 195 L HN 0.386 nan 8.230 nan 0.000 0.421 196 V N 5.591 125.553 119.914 0.081 0.000 2.326 196 V HA 0.907 5.022 4.120 -0.010 0.000 0.281 196 V C 0.008 176.118 176.094 0.026 0.000 1.015 196 V CA 0.014 62.377 62.300 0.105 0.000 0.823 196 V CB 0.673 32.539 31.823 0.071 0.000 1.009 196 V HN 0.990 nan 8.190 nan 0.000 0.436 197 A N 4.067 126.890 122.820 0.006 0.000 2.587 197 A HA 0.998 5.312 4.320 -0.010 0.000 0.293 197 A C -0.326 177.217 177.584 -0.068 0.000 1.087 197 A CA -0.262 51.707 52.037 -0.114 0.000 0.692 197 A CB 2.244 21.059 19.000 -0.308 0.000 1.291 197 A HN 0.901 nan 8.150 nan 0.000 0.407 198 S N -0.389 115.262 115.700 -0.081 0.000 2.745 198 S HA 0.736 5.200 4.470 -0.010 0.000 0.306 198 S C 1.128 175.675 174.600 -0.089 0.000 1.137 198 S CA 0.004 58.173 58.200 -0.052 0.000 0.900 198 S CB 1.167 64.353 63.200 -0.022 0.000 1.176 198 S HN 2.079 nan 8.310 nan 0.000 0.520 199 A N 0.386 123.166 122.820 -0.068 0.000 1.940 199 A HA 0.144 4.458 4.320 -0.010 0.000 0.219 199 A C 1.890 179.434 177.584 -0.067 0.000 1.176 199 A CA 1.901 53.894 52.037 -0.074 0.000 0.631 199 A CB -1.556 17.413 19.000 -0.052 0.000 0.814 199 A HN 1.217 nan 8.150 nan 0.000 0.446 200 G N -1.307 107.463 108.800 -0.051 0.000 2.887 200 G HA2 0.358 4.312 3.960 -0.010 0.000 0.211 200 G HA3 0.358 4.312 3.960 -0.010 0.000 0.211 200 G C 0.590 175.465 174.900 -0.042 0.000 1.152 200 G CA 0.423 45.499 45.100 -0.040 0.000 0.769 200 G HN 0.812 nan 8.290 nan 0.000 0.541 201 R N -1.201 119.266 120.500 -0.055 0.000 2.716 201 R HA 0.479 4.813 4.340 -0.010 0.000 0.271 201 R C -1.814 174.437 176.300 -0.082 0.000 1.028 201 R CA -0.973 55.094 56.100 -0.056 0.000 0.883 201 R CB 0.567 30.850 30.300 -0.030 0.000 1.250 201 R HN -0.151 nan 8.270 nan 0.000 0.465 202 I N 2.557 123.070 120.570 -0.095 0.000 2.312 202 I HA 0.155 4.319 4.170 -0.010 0.000 0.290 202 I C 0.390 176.483 176.117 -0.040 0.000 1.008 202 I CA -0.334 60.897 61.300 -0.114 0.000 1.226 202 I CB 1.529 39.389 38.000 -0.233 0.000 1.371 202 I HN 0.810 nan 8.210 nan 0.000 0.468 203 E N 4.622 124.814 120.200 -0.014 0.000 2.158 203 E HA 0.053 4.397 4.350 -0.010 0.000 0.191 203 E C 0.582 177.212 176.600 0.050 0.000 0.982 203 E CA 0.858 57.270 56.400 0.019 0.000 0.823 203 E CB 0.384 30.095 29.700 0.019 0.000 0.766 203 E HN 0.435 nan 8.360 nan 0.000 0.468 204 R N -0.278 120.259 120.500 0.061 0.000 2.579 204 R HA 0.255 4.589 4.340 -0.010 0.000 0.260 204 R C -1.835 174.541 176.300 0.127 0.000 1.103 204 R CA -0.324 55.836 56.100 0.099 0.000 0.942 204 R CB 1.296 31.643 30.300 0.077 0.000 1.251 204 R HN -0.024 nan 8.270 nan 0.000 0.450 205 E N 2.443 122.757 120.200 0.190 0.000 2.294 205 E HA 0.323 4.667 4.350 -0.010 0.000 0.272 205 E C -1.537 175.167 176.600 0.173 0.000 0.896 205 E CA -0.480 56.046 56.400 0.210 0.000 0.802 205 E CB 1.745 31.638 29.700 0.322 0.000 1.267 205 E HN 0.694 nan 8.360 nan 0.000 0.406 206 T N -0.834 113.807 114.554 0.145 0.000 2.864 206 T HA 0.499 4.843 4.350 -0.010 0.000 0.289 206 T C -0.080 174.701 174.700 0.134 0.000 1.082 206 T CA -0.778 61.391 62.100 0.115 0.000 1.009 206 T CB 1.084 70.011 68.868 0.098 0.000 1.234 206 T HN 0.136 nan 8.240 nan 0.000 0.526 207 V N 1.421 121.399 119.914 0.107 0.000 2.673 207 V HA 0.112 4.226 4.120 -0.010 0.000 0.303 207 V C 0.127 176.344 176.094 0.204 0.000 1.046 207 V CA -0.442 61.934 62.300 0.126 0.000 1.126 207 V CB -0.088 31.772 31.823 0.061 0.000 0.934 207 V HN 0.851 nan 8.190 nan 0.000 0.487 208 W N 7.218 128.550 121.300 0.054 0.000 2.529 208 W HA 0.335 4.989 4.660 -0.009 0.000 0.319 208 W C 0.049 176.598 176.519 0.050 0.000 1.362 208 W CA -0.630 56.748 57.345 0.056 0.000 1.348 208 W CB -0.176 29.323 29.460 0.066 0.000 1.403 208 W HN 0.628 nan 8.180 nan 0.000 0.519 209 N N 5.344 124.025 118.700 -0.032 0.000 2.629 209 N HA 0.076 4.810 4.740 -0.010 0.000 0.277 209 N C -1.184 174.287 175.510 -0.065 0.000 1.188 209 N CA -0.161 52.755 53.050 -0.223 0.000 0.835 209 N CB 0.890 39.316 38.487 -0.103 0.000 1.420 209 N HN 0.358 nan 8.380 nan 0.000 0.542 210 D N 1.991 122.332 120.400 -0.098 0.000 2.559 210 D HA 0.310 4.944 4.640 -0.010 0.000 0.234 210 D C 1.029 177.330 176.300 0.001 0.000 1.226 210 D CA 0.368 54.402 54.000 0.056 0.000 0.830 210 D CB 0.209 41.141 40.800 0.220 0.000 1.028 210 D HN 0.881 nan 8.370 nan 0.000 0.492 211 G N 1.786 110.553 108.800 -0.055 0.000 2.796 211 G HA2 -0.250 3.704 3.960 -0.010 0.000 0.226 211 G HA3 -0.250 3.704 3.960 -0.010 0.000 0.226 211 G C -1.843 173.031 174.900 -0.044 0.000 1.381 211 G CA -0.670 44.406 45.100 -0.040 0.000 0.867 211 G HN 0.014 nan 8.290 nan 0.000 0.552 212 P HA -0.030 nan 4.420 nan 0.000 0.216 212 P C 1.203 178.503 177.300 -0.000 0.000 1.153 212 P CA 1.895 64.985 63.100 -0.016 0.000 0.858 212 P CB -0.014 31.683 31.700 -0.005 0.000 0.789 213 D N -1.449 118.958 120.400 0.012 0.000 2.224 213 D HA -0.013 4.621 4.640 -0.010 0.000 0.205 213 D C 2.020 178.351 176.300 0.052 0.000 0.965 213 D CA 1.436 55.453 54.000 0.028 0.000 0.852 213 D CB -0.786 40.031 40.800 0.028 0.000 0.947 213 D HN 0.237 nan 8.370 nan 0.000 0.494 214 G N -0.984 107.854 108.800 0.063 0.000 3.044 214 G HA2 0.443 4.397 3.960 -0.010 0.000 0.223 214 G HA3 0.443 4.397 3.960 -0.010 0.000 0.223 214 G C 0.742 175.763 174.900 0.201 0.000 1.123 214 G CA 0.312 45.494 45.100 0.138 0.000 0.765 214 G HN 0.533 nan 8.290 nan 0.000 0.546 215 G N -1.052 107.757 108.800 0.014 0.000 2.746 215 G HA2 0.309 4.263 3.960 -0.010 0.000 0.685 215 G HA3 0.309 4.263 3.960 -0.010 0.000 0.685 215 G C -0.488 173.885 174.900 -0.877 0.000 1.350 215 G CA 0.064 45.040 45.100 -0.206 0.000 0.837 215 G HN 1.282 nan 8.290 nan 0.000 0.564 216 S N -1.660 113.258 115.700 -1.302 0.000 2.565 216 S HA 0.711 5.175 4.470 -0.010 0.000 0.269 216 S C 0.038 174.041 174.600 -0.994 0.000 1.153 216 S CA 0.870 58.212 58.200 -1.431 0.000 0.835 216 S CB 1.716 64.562 63.200 -0.590 0.000 1.122 216 S HN 2.014 nan 8.310 nan 0.000 0.462 217 T N 2.155 116.416 114.554 -0.488 0.000 2.940 217 T HA 0.454 4.798 4.350 -0.010 0.000 0.309 217 T C 0.889 175.596 174.700 0.012 0.000 1.056 217 T CA 0.608 62.722 62.100 0.023 0.000 1.137 217 T CB -0.247 68.746 68.868 0.208 0.000 0.976 217 T HN 0.880 nan 8.240 nan 0.000 0.547 218 G N 1.620 110.476 108.800 0.094 0.000 2.606 218 G HA2 0.561 4.515 3.960 -0.010 0.000 0.252 218 G HA3 0.561 4.515 3.960 -0.010 0.000 0.252 218 G C 0.178 175.138 174.900 0.100 0.000 1.206 218 G CA -0.082 45.084 45.100 0.111 0.000 0.861 218 G HN 1.181 nan 8.290 nan 0.000 0.561 219 G N -1.770 107.095 108.800 0.108 0.000 2.376 219 G HA2 0.707 4.661 3.960 -0.010 0.000 0.302 219 G HA3 0.707 4.661 3.960 -0.010 0.000 0.302 219 G C -0.285 174.620 174.900 0.009 0.000 1.586 219 G CA 0.422 45.550 45.100 0.047 0.000 0.907 219 G HN 2.103 nan 8.290 nan 0.000 0.655 220 G N -1.747 106.970 108.800 -0.138 0.000 2.441 220 G HA2 0.562 4.516 3.960 -0.010 0.000 0.222 220 G HA3 0.562 4.516 3.960 -0.010 0.000 0.222 220 G C -1.742 173.023 174.900 -0.226 0.000 1.254 220 G CA 0.448 45.276 45.100 -0.453 0.000 0.959 220 G HN 1.689 nan 8.290 nan 0.000 0.474 221 V N 1.002 120.846 119.914 -0.117 0.000 2.483 221 V HA 0.655 4.769 4.120 -0.010 0.000 0.297 221 V C 0.666 176.804 176.094 0.073 0.000 1.027 221 V CA -0.239 62.055 62.300 -0.011 0.000 0.855 221 V CB 1.202 33.019 31.823 -0.009 0.000 0.995 221 V HN 1.064 nan 8.190 nan 0.000 0.424 222 S N 3.696 119.452 115.700 0.094 0.000 2.568 222 S HA 0.170 4.634 4.470 -0.010 0.000 0.282 222 S C 1.034 175.684 174.600 0.084 0.000 1.338 222 S CA -0.040 58.245 58.200 0.143 0.000 1.045 222 S CB 0.477 63.822 63.200 0.241 0.000 0.873 222 S HN 0.797 nan 8.310 nan 0.000 0.516 223 R N 3.322 123.865 120.500 0.071 0.000 2.312 223 R HA 0.233 4.567 4.340 -0.010 0.000 0.205 223 R C 0.930 177.200 176.300 -0.050 0.000 0.904 223 R CA 0.177 56.291 56.100 0.023 0.000 1.052 223 R CB 0.008 30.334 30.300 0.043 0.000 1.014 223 R HN 0.666 nan 8.270 nan 0.000 0.503 224 I N -0.270 120.231 120.570 -0.114 0.000 2.899 224 I HA 0.115 4.279 4.170 -0.010 0.000 0.257 224 I C 0.157 176.007 176.117 -0.444 0.000 1.115 224 I CA 0.564 61.647 61.300 -0.361 0.000 1.451 224 I CB -0.348 37.267 38.000 -0.642 0.000 1.251 224 I HN -0.101 nan 8.210 nan 0.000 0.456 225 F N 2.937 122.882 119.950 -0.008 0.000 2.411 225 F HA 0.361 4.883 4.527 -0.010 0.000 0.355 225 F C -2.044 173.711 175.800 -0.074 0.000 1.117 225 F CA -2.223 55.760 58.000 -0.029 0.000 1.139 225 F CB 0.195 39.189 39.000 -0.009 0.000 1.120 225 F HN -0.156 nan 8.300 nan 0.000 0.493 226 P HA -0.043 nan 4.420 nan 0.000 0.270 226 P C -0.544 176.687 177.300 -0.114 0.000 1.223 226 P CA -0.398 62.680 63.100 -0.035 0.000 0.785 226 P CB 0.588 32.260 31.700 -0.047 0.000 0.923 227 L N 4.416 125.531 121.223 -0.181 0.000 2.534 227 L HA 0.185 4.519 4.340 -0.010 0.000 0.271 227 L C -2.227 174.384 176.870 -0.431 0.000 1.178 227 L CA -1.186 53.465 54.840 -0.315 0.000 0.907 227 L CB -0.799 41.090 42.059 -0.285 0.000 1.164 227 L HN 0.280 nan 8.230 nan 0.000 0.482 228 P HA 0.150 nan 4.420 nan 0.000 0.272 228 P C 0.512 177.304 177.300 -0.847 0.000 1.223 228 P CA -0.010 62.532 63.100 -0.930 0.000 0.784 228 P CB 0.728 31.319 31.700 -1.849 0.000 0.923 229 S N 1.935 117.286 115.700 -0.581 0.000 2.374 229 S HA -0.181 4.283 4.470 -0.010 0.000 0.227 229 S C 1.579 175.987 174.600 -0.319 0.000 1.037 229 S CA 1.031 59.030 58.200 -0.335 0.000 1.024 229 S CB -1.289 61.826 63.200 -0.141 0.000 0.861 229 S HN 0.704 nan 8.310 nan 0.000 0.456 230 W N 0.999 122.182 121.300 -0.195 0.000 2.825 230 W HA 0.264 4.918 4.660 -0.010 0.000 0.243 230 W C 1.536 177.833 176.519 -0.370 0.000 1.293 230 W CA 0.433 57.644 57.345 -0.225 0.000 1.403 230 W CB -0.601 28.729 29.460 -0.216 0.000 1.134 230 W HN 0.419 nan 8.180 nan 0.000 0.666 231 Q N 0.895 120.254 119.800 -0.736 0.000 2.219 231 Q HA 0.016 4.350 4.340 -0.010 0.000 0.209 231 Q C 1.374 177.066 176.000 -0.513 0.000 0.854 231 Q CA -0.006 55.325 55.803 -0.787 0.000 0.960 231 Q CB 0.235 28.223 28.738 -1.250 0.000 1.116 231 Q HN 0.327 nan 8.270 nan 0.000 0.500 232 E N -0.098 119.882 120.200 -0.367 0.000 2.418 232 E HA -0.092 4.252 4.350 -0.010 0.000 0.197 232 E C 0.983 177.483 176.600 -0.167 0.000 1.026 232 E CA 0.485 56.730 56.400 -0.258 0.000 0.862 232 E CB 0.306 29.885 29.700 -0.202 0.000 0.799 232 E HN 0.174 nan 8.360 nan 0.000 0.518 233 R N -0.366 120.062 120.500 -0.120 0.000 2.432 233 R HA 0.222 4.556 4.340 -0.010 0.000 0.260 233 R C 1.522 177.806 176.300 -0.026 0.000 0.935 233 R CA 0.171 56.241 56.100 -0.051 0.000 1.080 233 R CB 0.628 30.924 30.300 -0.006 0.000 1.155 233 R HN -0.015 nan 8.270 nan 0.000 0.531 234 A N 0.959 123.727 122.820 -0.086 0.000 2.169 234 A HA -0.013 4.301 4.320 -0.010 0.000 0.212 234 A C 0.242 177.808 177.584 -0.030 0.000 1.153 234 A CA 0.340 52.347 52.037 -0.049 0.000 0.756 234 A CB -0.303 18.527 19.000 -0.283 0.000 0.813 234 A HN 0.537 nan 8.150 nan 0.000 0.471 235 N N -1.285 117.365 118.700 -0.083 0.000 2.780 235 N HA -0.124 4.610 4.740 -0.010 0.000 0.247 235 N C -0.610 174.896 175.510 -0.006 0.000 1.076 235 N CA 0.272 53.309 53.050 -0.022 0.000 0.688 235 N CB -1.536 36.982 38.487 0.052 0.000 0.957 235 N HN 0.197 nan 8.380 nan 0.000 0.551 236 V N 1.243 121.024 119.914 -0.221 0.000 2.529 236 V HA 0.166 4.280 4.120 -0.010 0.000 0.292 236 V C -0.700 175.363 176.094 -0.052 0.000 1.028 236 V CA -0.528 61.618 62.300 -0.257 0.000 1.074 236 V CB 0.266 31.763 31.823 -0.544 0.000 0.958 236 V HN 0.200 nan 8.190 nan 0.000 0.481 237 P HA 0.397 nan 4.420 nan 0.000 0.277 237 P C -2.727 174.601 177.300 0.047 0.000 1.271 237 P CA -1.720 61.423 63.100 0.072 0.000 0.795 237 P CB 0.290 32.078 31.700 0.147 0.000 1.101 238 P HA 0.033 nan 4.420 nan 0.000 0.274 238 P C 0.241 177.602 177.300 0.102 0.000 1.246 238 P CA -0.084 63.042 63.100 0.044 0.000 0.795 238 P CB 0.286 32.005 31.700 0.032 0.000 1.006 239 S N 0.331 116.089 115.700 0.095 0.000 2.563 239 S HA 0.152 4.616 4.470 -0.010 0.000 0.284 239 S C 1.491 176.183 174.600 0.154 0.000 1.331 239 S CA 0.130 58.428 58.200 0.163 0.000 1.047 239 S CB -0.199 63.074 63.200 0.121 0.000 0.859 239 S HN 0.489 nan 8.310 nan 0.000 0.514 240 A N 4.310 127.230 122.820 0.166 0.000 2.167 240 A HA 0.145 4.459 4.320 -0.010 0.000 0.214 240 A C 0.918 178.559 177.584 0.096 0.000 1.151 240 A CA 0.234 52.252 52.037 -0.032 0.000 0.735 240 A CB -0.755 17.913 19.000 -0.553 0.000 0.802 240 A HN 0.894 nan 8.150 nan 0.000 0.467 241 N N 0.724 119.519 118.700 0.158 0.000 2.317 241 N HA 0.215 4.949 4.740 -0.010 0.000 0.245 241 N C -2.655 172.899 175.510 0.073 0.000 1.294 241 N CA -1.158 51.972 53.050 0.133 0.000 0.924 241 N CB 0.297 38.843 38.487 0.098 0.000 1.186 241 N HN 0.132 nan 8.380 nan 0.000 0.495 242 P HA 0.030 nan 4.420 nan 0.000 0.271 242 P C 0.316 177.632 177.300 0.026 0.000 1.226 242 P CA 0.464 63.582 63.100 0.030 0.000 0.765 242 P CB 0.793 32.505 31.700 0.020 0.000 0.835 243 G N 2.776 111.589 108.800 0.022 0.000 2.213 243 G HA2 -0.077 3.877 3.960 -0.010 0.000 0.226 243 G HA3 -0.077 3.877 3.960 -0.010 0.000 0.226 243 G C 0.621 175.532 174.900 0.019 0.000 0.992 243 G CA 0.334 45.443 45.100 0.016 0.000 0.632 243 G HN 0.817 nan 8.290 nan 0.000 0.511 244 A N -0.754 122.083 122.820 0.030 0.000 5.150 244 A HA 0.422 4.736 4.320 -0.010 0.000 0.324 244 A C 1.862 179.464 177.584 0.030 0.000 1.862 244 A CA 2.883 54.941 52.037 0.035 0.000 0.710 244 A CB -1.709 17.305 19.000 0.023 0.000 1.367 244 A HN 3.185 nan 8.150 nan 0.000 0.380 245 G N -2.510 106.300 108.800 0.018 0.000 2.712 245 G HA2 0.370 4.324 3.960 -0.010 0.000 0.686 245 G HA3 0.370 4.324 3.960 -0.010 0.000 0.686 245 G C -0.000 174.897 174.900 -0.004 0.000 1.321 245 G CA 0.888 45.990 45.100 0.003 0.000 0.813 245 G HN 2.418 nan 8.290 nan 0.000 0.599 246 S N -0.096 115.589 115.700 -0.026 0.000 2.562 246 S HA 0.842 5.306 4.470 -0.010 0.000 0.275 246 S C 0.756 175.323 174.600 -0.055 0.000 1.281 246 S CA 1.064 59.233 58.200 -0.051 0.000 1.045 246 S CB 0.902 64.060 63.200 -0.070 0.000 0.962 246 S HN 2.250 nan 8.310 nan 0.000 0.503 247 G N 2.968 111.724 108.800 -0.074 0.000 2.623 247 G HA2 0.386 4.340 3.960 -0.010 0.000 0.290 247 G HA3 0.386 4.340 3.960 -0.010 0.000 0.290 247 G C -1.321 173.512 174.900 -0.112 0.000 1.437 247 G CA -0.918 44.146 45.100 -0.060 0.000 0.798 247 G HN 0.683 nan 8.290 nan 0.000 0.488 248 R N 0.282 120.735 120.500 -0.079 0.000 2.502 248 R HA 0.246 4.580 4.340 -0.010 0.000 0.292 248 R C 0.518 176.764 176.300 -0.090 0.000 0.998 248 R CA 0.416 56.429 56.100 -0.146 0.000 1.056 248 R CB 0.045 30.316 30.300 -0.049 0.000 0.939 248 R HN 0.694 nan 8.270 nan 0.000 0.411 249 G N 2.819 111.502 108.800 -0.194 0.000 2.372 249 G HA2 0.435 4.389 3.960 -0.010 0.000 0.283 249 G HA3 0.435 4.389 3.960 -0.010 0.000 0.283 249 G C -0.843 174.251 174.900 0.323 0.000 1.177 249 G CA -0.537 44.559 45.100 -0.006 0.000 0.842 249 G HN 0.439 nan 8.290 nan 0.000 0.503 250 V N 4.867 125.006 119.914 0.374 0.000 2.628 250 V HA 0.549 4.663 4.120 -0.010 0.000 0.306 250 V C -1.826 174.395 176.094 0.212 0.000 1.045 250 V CA -1.379 61.098 62.300 0.295 0.000 0.905 250 V CB 2.450 34.378 31.823 0.176 0.000 0.997 250 V HN 0.715 nan 8.190 nan 0.000 0.436 251 P HA 0.415 nan 4.420 nan 0.000 0.310 251 P C -0.453 177.040 177.300 0.321 0.000 1.309 251 P CA -0.281 62.929 63.100 0.183 0.000 0.769 251 P CB 1.892 33.648 31.700 0.094 0.000 1.327 252 D N -1.487 119.079 120.400 0.277 0.000 2.338 252 D HA 0.088 4.722 4.640 -0.010 0.000 0.224 252 D C 0.795 177.125 176.300 0.050 0.000 0.967 252 D CA 1.176 55.371 54.000 0.324 0.000 0.896 252 D CB 0.445 41.415 40.800 0.284 0.000 1.028 252 D HN 0.262 nan 8.370 nan 0.000 0.493 253 V N -2.697 117.238 119.914 0.035 0.000 3.165 253 V HA 0.925 5.039 4.120 -0.010 0.000 0.309 253 V C -1.349 174.811 176.094 0.110 0.000 1.267 253 V CA -1.093 61.198 62.300 -0.016 0.000 1.067 253 V CB 1.833 33.621 31.823 -0.058 0.000 1.082 253 V HN 0.075 nan 8.190 nan 0.000 0.451 254 A N -0.728 122.195 122.820 0.172 0.000 2.606 254 A HA 1.060 5.374 4.320 -0.010 0.000 0.293 254 A C -0.255 177.543 177.584 0.357 0.000 1.082 254 A CA -0.103 52.082 52.037 0.246 0.000 0.685 254 A CB 1.525 20.601 19.000 0.127 0.000 1.284 254 A HN 2.428 nan 8.150 nan 0.000 0.408 255 G N -0.229 108.745 108.800 0.290 0.000 2.687 255 G HA2 0.479 4.433 3.960 -0.010 0.000 0.291 255 G HA3 0.479 4.433 3.960 -0.010 0.000 0.291 255 G C -0.979 174.075 174.900 0.256 0.000 1.420 255 G CA -0.741 44.536 45.100 0.295 0.000 0.796 255 G HN 0.972 nan 8.290 nan 0.000 0.485 256 N N -0.241 118.660 118.700 0.336 0.000 2.365 256 N HA 0.347 5.081 4.740 -0.010 0.000 0.265 256 N C 0.738 176.325 175.510 0.127 0.000 1.288 256 N CA 1.088 54.234 53.050 0.160 0.000 0.869 256 N CB 1.092 39.578 38.487 -0.001 0.000 1.071 256 N HN 0.784 nan 8.380 nan 0.000 0.480 257 A N 2.809 125.600 122.820 -0.048 0.000 2.591 257 A HA 0.095 4.410 4.320 -0.010 0.000 0.204 257 A C 0.127 177.196 177.584 -0.858 0.000 1.410 257 A CA -0.339 51.520 52.037 -0.296 0.000 1.065 257 A CB -0.035 18.813 19.000 -0.252 0.000 1.362 257 A HN 0.652 nan 8.150 nan 0.000 0.566 258 D N 1.281 121.236 120.400 -0.742 0.000 2.401 258 D HA 0.194 4.828 4.640 -0.010 0.000 0.254 258 D C -1.690 174.328 176.300 -0.469 0.000 1.192 258 D CA -1.471 51.991 54.000 -0.898 0.000 0.885 258 D CB 1.341 41.990 40.800 -0.252 0.000 1.147 258 D HN 0.017 nan 8.370 nan 0.000 0.478 259 P HA -0.100 nan 4.420 nan 0.000 0.219 259 P C 0.736 177.968 177.300 -0.113 0.000 1.146 259 P CA 1.166 64.164 63.100 -0.171 0.000 0.808 259 P CB 0.192 31.852 31.700 -0.067 0.000 0.779 260 A N -0.891 121.884 122.820 -0.075 0.000 2.209 260 A HA -0.023 4.291 4.320 -0.010 0.000 0.212 260 A C 1.304 178.819 177.584 -0.115 0.000 1.158 260 A CA 1.664 53.666 52.037 -0.058 0.000 0.742 260 A CB -1.149 17.854 19.000 0.006 0.000 0.790 260 A HN 0.315 nan 8.150 nan 0.000 0.472 261 T N -3.773 110.688 114.554 -0.154 0.000 3.633 261 T HA 0.504 4.848 4.350 -0.010 0.000 0.278 261 T C 0.614 175.161 174.700 -0.255 0.000 0.991 261 T CA 0.175 62.144 62.100 -0.220 0.000 1.036 261 T CB 0.027 68.862 68.868 -0.055 0.000 1.148 261 T HN 0.360 nan 8.240 nan 0.000 0.501 262 G N 0.645 109.292 108.800 -0.256 0.000 2.516 262 G HA2 0.511 4.465 3.960 -0.010 0.000 0.276 262 G HA3 0.511 4.465 3.960 -0.010 0.000 0.276 262 G C -1.062 173.653 174.900 -0.308 0.000 1.390 262 G CA -0.823 44.135 45.100 -0.237 0.000 1.050 262 G HN 0.488 nan 8.290 nan 0.000 0.519 263 Y N -0.317 119.951 120.300 -0.052 0.000 2.328 263 Y HA 0.309 4.854 4.550 -0.008 0.000 0.337 263 Y C 0.668 176.558 175.900 -0.017 0.000 1.008 263 Y CA -0.604 57.490 58.100 -0.010 0.000 1.129 263 Y CB 1.516 39.962 38.460 -0.024 0.000 1.185 263 Y HN 0.373 nan 8.280 nan 0.000 0.476 264 E N 4.346 124.627 120.200 0.134 0.000 2.257 264 E HA 0.383 4.727 4.350 -0.010 0.000 0.278 264 E C -1.141 175.574 176.600 0.192 0.000 1.049 264 E CA -0.122 56.347 56.400 0.115 0.000 0.876 264 E CB 0.688 30.444 29.700 0.093 0.000 1.035 264 E HN 0.586 nan 8.360 nan 0.000 0.419 265 V N 0.953 120.901 119.914 0.056 0.000 3.181 265 V HA 0.589 4.703 4.120 -0.010 0.000 0.308 265 V C -0.696 175.299 176.094 -0.164 0.000 1.214 265 V CA -1.033 61.152 62.300 -0.192 0.000 1.053 265 V CB 1.976 33.634 31.823 -0.275 0.000 1.069 265 V HN 0.290 nan 8.190 nan 0.000 0.441 266 V N 2.639 122.353 119.914 -0.333 0.000 2.350 266 V HA 0.544 4.658 4.120 -0.010 0.000 0.285 266 V C -0.378 175.614 176.094 -0.170 0.000 1.014 266 V CA -0.157 62.053 62.300 -0.149 0.000 0.831 266 V CB 1.072 32.865 31.823 -0.050 0.000 1.000 266 V HN 0.718 nan 8.190 nan 0.000 0.433 267 I N 3.976 124.486 120.570 -0.100 0.000 2.389 267 I HA 0.448 4.612 4.170 -0.010 0.000 0.288 267 I C -0.096 175.999 176.117 -0.037 0.000 0.999 267 I CA -0.601 60.656 61.300 -0.073 0.000 1.129 267 I CB 1.586 39.549 38.000 -0.062 0.000 1.288 267 I HN 0.535 nan 8.210 nan 0.000 0.444 268 D N 5.475 125.863 120.400 -0.021 0.000 2.701 268 D HA -0.203 4.431 4.640 -0.010 0.000 0.235 268 D C 1.190 177.485 176.300 -0.009 0.000 1.155 268 D CA 1.708 55.703 54.000 -0.007 0.000 0.649 268 D CB -0.925 39.873 40.800 -0.004 0.000 1.050 268 D HN 1.155 nan 8.370 nan 0.000 0.425 269 G N -0.236 108.557 108.800 -0.012 0.000 2.205 269 G HA2 -0.369 3.585 3.960 -0.010 0.000 0.261 269 G HA3 -0.369 3.585 3.960 -0.010 0.000 0.261 269 G C 0.126 175.022 174.900 -0.007 0.000 0.980 269 G CA 0.518 45.615 45.100 -0.006 0.000 0.632 269 G HN 0.619 nan 8.290 nan 0.000 0.533 270 E N 1.238 121.430 120.200 -0.014 0.000 2.174 270 E HA 0.507 4.851 4.350 -0.010 0.000 0.282 270 E C -0.311 176.280 176.600 -0.015 0.000 0.992 270 E CA -0.319 56.073 56.400 -0.012 0.000 0.803 270 E CB 0.576 30.268 29.700 -0.014 0.000 1.090 270 E HN 0.090 nan 8.360 nan 0.000 0.396 271 T N 3.539 118.091 114.554 -0.003 0.000 2.814 271 T HA 0.248 4.592 4.350 -0.010 0.000 0.297 271 T C -0.117 174.581 174.700 -0.004 0.000 0.956 271 T CA 0.097 62.201 62.100 0.006 0.000 1.123 271 T CB 1.190 70.070 68.868 0.021 0.000 0.902 271 T HN 0.509 nan 8.240 nan 0.000 0.528 272 T N 1.872 116.420 114.554 -0.009 0.000 2.648 272 T HA 0.589 4.933 4.350 -0.010 0.000 0.304 272 T C -1.665 173.027 174.700 -0.014 0.000 1.312 272 T CA -0.497 61.594 62.100 -0.016 0.000 1.023 272 T CB 1.156 70.010 68.868 -0.023 0.000 1.612 272 T HN 0.282 nan 8.240 nan 0.000 0.487 273 V N 2.574 122.476 119.914 -0.020 0.000 2.540 273 V HA 0.687 4.801 4.120 -0.010 0.000 0.302 273 V C -0.956 175.129 176.094 -0.016 0.000 1.035 273 V CA -0.749 61.540 62.300 -0.018 0.000 0.873 273 V CB 1.576 33.373 31.823 -0.043 0.000 0.992 273 V HN 0.646 nan 8.190 nan 0.000 0.428 274 I N 3.113 123.687 120.570 0.007 0.000 2.619 274 I HA 0.785 4.949 4.170 -0.010 0.000 0.292 274 I C 0.521 176.659 176.117 0.034 0.000 1.100 274 I CA -0.085 61.210 61.300 -0.009 0.000 1.043 274 I CB 1.749 39.725 38.000 -0.039 0.000 1.239 274 I HN 0.743 nan 8.210 nan 0.000 0.420 275 G N 2.309 111.085 108.800 -0.040 0.000 3.252 275 G HA2 0.810 4.764 3.960 -0.010 0.000 0.181 275 G HA3 0.810 4.764 3.960 -0.010 0.000 0.181 275 G C -0.200 174.587 174.900 -0.188 0.000 1.187 275 G CA -0.454 44.590 45.100 -0.093 0.000 0.886 275 G HN 1.167 nan 8.290 nan 0.000 0.615 276 G N -2.296 106.247 108.800 -0.428 0.000 2.699 276 G HA2 0.236 4.190 3.960 -0.010 0.000 0.686 276 G HA3 0.236 4.190 3.960 -0.010 0.000 0.686 276 G C 0.863 175.676 174.900 -0.145 0.000 1.301 276 G CA 0.607 45.525 45.100 -0.304 0.000 0.816 276 G HN 1.796 nan 8.290 nan 0.000 0.595 277 T N -1.830 112.771 114.554 0.078 0.000 3.051 277 T HA 0.025 4.369 4.350 -0.010 0.000 0.269 277 T C 2.393 177.089 174.700 -0.006 0.000 1.127 277 T CA 2.090 64.239 62.100 0.082 0.000 1.107 277 T CB -0.135 68.846 68.868 0.188 0.000 0.898 277 T HN 0.946 nan 8.240 nan 0.000 0.517 278 S N 1.647 117.323 115.700 -0.041 0.000 2.420 278 S HA 0.009 4.473 4.470 -0.010 0.000 0.237 278 S C 2.401 176.910 174.600 -0.151 0.000 1.023 278 S CA 1.020 59.162 58.200 -0.098 0.000 0.991 278 S CB -0.594 62.518 63.200 -0.146 0.000 0.792 278 S HN 0.826 nan 8.310 nan 0.000 0.488 279 A N 0.408 123.098 122.820 -0.215 0.000 2.072 279 A HA 0.141 4.455 4.320 -0.010 0.000 0.216 279 A C 2.131 179.503 177.584 -0.353 0.000 1.156 279 A CA 0.574 52.377 52.037 -0.389 0.000 0.701 279 A CB -0.278 18.306 19.000 -0.694 0.000 0.816 279 A HN 0.361 nan 8.150 nan 0.000 0.458 280 V N -0.235 119.537 119.914 -0.237 0.000 2.488 280 V HA -0.141 3.973 4.120 -0.010 0.000 0.246 280 V C 2.973 178.898 176.094 -0.282 0.000 1.046 280 V CA 1.571 63.682 62.300 -0.315 0.000 1.053 280 V CB -1.110 30.599 31.823 -0.190 0.000 0.679 280 V HN 0.548 nan 8.190 nan 0.000 0.458 281 A N 1.183 123.942 122.820 -0.103 0.000 1.877 281 A HA -0.094 4.220 4.320 -0.010 0.000 0.216 281 A C 0.642 178.220 177.584 -0.010 0.000 1.186 281 A CA 2.037 54.069 52.037 -0.008 0.000 0.620 281 A CB -1.847 17.167 19.000 0.024 0.000 0.822 281 A HN 0.563 nan 8.150 nan 0.000 0.443 282 P HA -0.100 nan 4.420 nan 0.000 0.219 282 P C 1.694 178.995 177.300 0.001 0.000 1.150 282 P CA 0.845 63.932 63.100 -0.022 0.000 0.814 282 P CB -0.178 31.488 31.700 -0.058 0.000 0.787 283 L N -0.890 120.276 121.223 -0.095 0.000 2.012 283 L HA -0.121 4.214 4.340 -0.010 0.000 0.210 283 L C 2.126 179.144 176.870 0.246 0.000 1.073 283 L CA 2.156 56.990 54.840 -0.009 0.000 0.748 283 L CB -1.405 40.507 42.059 -0.245 0.000 0.891 283 L HN -0.213 nan 8.230 nan 0.000 0.431 284 F N -0.128 119.922 119.950 0.167 0.000 2.456 284 F HA 0.185 4.706 4.527 -0.010 0.000 0.298 284 F C 2.469 178.281 175.800 0.020 0.000 1.104 284 F CA 0.285 58.336 58.000 0.084 0.000 1.435 284 F CB -1.636 37.390 39.000 0.043 0.000 1.078 284 F HN 0.205 nan 8.300 nan 0.000 0.546 285 A N 0.303 123.238 122.820 0.193 0.000 1.902 285 A HA -0.040 4.274 4.320 -0.010 0.000 0.217 285 A C 2.509 180.151 177.584 0.097 0.000 1.181 285 A CA 1.763 53.866 52.037 0.110 0.000 0.623 285 A CB -1.130 17.918 19.000 0.080 0.000 0.818 285 A HN 0.259 nan 8.150 nan 0.000 0.443 286 A N -0.468 122.441 122.820 0.149 0.000 1.902 286 A HA -0.026 4.288 4.320 -0.010 0.000 0.217 286 A C 2.123 179.761 177.584 0.090 0.000 1.181 286 A CA 1.717 53.852 52.037 0.163 0.000 0.623 286 A CB -0.619 18.543 19.000 0.268 0.000 0.818 286 A HN 0.730 nan 8.150 nan 0.000 0.443 287 L N 0.060 121.271 121.223 -0.019 0.000 2.012 287 L HA -0.119 4.215 4.340 -0.010 0.000 0.210 287 L C 2.336 179.065 176.870 -0.234 0.000 1.073 287 L CA 2.043 56.604 54.840 -0.465 0.000 0.748 287 L CB -0.612 40.983 42.059 -0.773 0.000 0.891 287 L HN 0.145 nan 8.230 nan 0.000 0.431 288 V N 0.127 119.975 119.914 -0.111 0.000 2.407 288 V HA -0.260 3.854 4.120 -0.010 0.000 0.248 288 V C 2.812 178.873 176.094 -0.054 0.000 1.055 288 V CA 1.497 63.748 62.300 -0.082 0.000 1.049 288 V CB -1.370 30.431 31.823 -0.037 0.000 0.662 288 V HN 0.623 nan 8.190 nan 0.000 0.455 289 A N -0.021 122.785 122.820 -0.023 0.000 1.902 289 A HA -0.213 4.101 4.320 -0.010 0.000 0.217 289 A C 2.398 179.971 177.584 -0.019 0.000 1.181 289 A CA 1.704 53.736 52.037 -0.007 0.000 0.623 289 A CB -0.451 18.559 19.000 0.017 0.000 0.818 289 A HN 0.502 nan 8.150 nan 0.000 0.443 290 R N -0.646 119.835 120.500 -0.031 0.000 2.073 290 R HA -0.030 4.304 4.340 -0.010 0.000 0.234 290 R C 2.025 178.294 176.300 -0.053 0.000 1.134 290 R CA 1.576 57.657 56.100 -0.032 0.000 0.952 290 R CB -0.490 29.790 30.300 -0.034 0.000 0.850 290 R HN 0.560 nan 8.270 nan 0.000 0.433 291 I N 1.318 121.836 120.570 -0.086 0.000 2.226 291 I HA -0.283 3.881 4.170 -0.010 0.000 0.245 291 I C 1.711 177.793 176.117 -0.059 0.000 1.100 291 I CA 1.109 62.356 61.300 -0.087 0.000 1.374 291 I CB -0.346 37.583 38.000 -0.120 0.000 1.057 291 I HN 0.160 nan 8.210 nan 0.000 0.413 292 N N 0.579 119.250 118.700 -0.048 0.000 2.120 292 N HA -0.251 4.483 4.740 -0.010 0.000 0.188 292 N C 1.752 177.248 175.510 -0.024 0.000 1.024 292 N CA 1.152 54.183 53.050 -0.032 0.000 0.852 292 N CB -0.429 38.044 38.487 -0.022 0.000 1.003 292 N HN 0.439 nan 8.380 nan 0.000 0.424 293 Q N 0.640 120.427 119.800 -0.021 0.000 2.061 293 Q HA -0.208 4.126 4.340 -0.010 0.000 0.204 293 Q C 1.791 177.781 176.000 -0.018 0.000 0.984 293 Q CA 1.728 57.522 55.803 -0.015 0.000 0.846 293 Q CB 0.011 28.743 28.738 -0.011 0.000 0.902 293 Q HN 0.051 nan 8.270 nan 0.000 0.421 294 K N 0.472 120.857 120.400 -0.024 0.000 2.057 294 K HA -0.081 4.233 4.320 -0.010 0.000 0.206 294 K C 1.958 178.543 176.600 -0.025 0.000 1.050 294 K CA 1.311 57.583 56.287 -0.025 0.000 0.935 294 K CB -0.354 32.127 32.500 -0.032 0.000 0.715 294 K HN 0.312 nan 8.250 nan 0.000 0.439 295 L N -1.161 120.044 121.223 -0.030 0.000 2.201 295 L HA 0.061 4.395 4.340 -0.010 0.000 0.212 295 L C 1.584 178.442 176.870 -0.021 0.000 1.105 295 L CA 0.918 55.741 54.840 -0.028 0.000 0.775 295 L CB -0.515 41.523 42.059 -0.034 0.000 0.913 295 L HN 0.597 nan 8.230 nan 0.000 0.440 296 G N 0.700 109.489 108.800 -0.018 0.000 2.179 296 G HA2 -0.300 3.654 3.960 -0.010 0.000 0.260 296 G HA3 -0.300 3.654 3.960 -0.010 0.000 0.260 296 G C 0.122 175.016 174.900 -0.011 0.000 0.977 296 G CA 0.681 45.774 45.100 -0.012 0.000 0.641 296 G HN 0.498 nan 8.290 nan 0.000 0.533 297 K N -0.339 120.052 120.400 -0.014 0.000 2.523 297 K HA 0.735 5.049 4.320 -0.010 0.000 0.257 297 K C -3.054 173.537 176.600 -0.015 0.000 0.932 297 K CA -2.265 54.015 56.287 -0.012 0.000 0.812 297 K CB 2.087 34.580 32.500 -0.011 0.000 1.326 297 K HN 0.036 nan 8.250 nan 0.000 0.433 298 P HA -0.037 nan 4.420 nan 0.000 0.271 298 P C 0.925 178.216 177.300 -0.015 0.000 1.216 298 P CA -0.588 62.505 63.100 -0.012 0.000 0.771 298 P CB 1.117 32.814 31.700 -0.006 0.000 0.864 299 V N 0.321 120.221 119.914 -0.024 0.000 2.970 299 V HA 0.095 4.209 4.120 -0.010 0.000 0.260 299 V C 1.444 177.532 176.094 -0.011 0.000 1.100 299 V CA 1.276 63.558 62.300 -0.031 0.000 1.122 299 V CB -1.888 29.904 31.823 -0.053 0.000 0.721 299 V HN 0.873 nan 8.190 nan 0.000 0.483 300 G N 0.188 108.992 108.800 0.006 0.000 2.611 300 G HA2 -0.411 3.543 3.960 -0.010 0.000 0.301 300 G HA3 -0.411 3.543 3.960 -0.010 0.000 0.301 300 G C 0.063 175.016 174.900 0.088 0.000 1.233 300 G CA 0.702 45.825 45.100 0.039 0.000 0.993 300 G HN 1.023 nan 8.290 nan 0.000 0.553 301 Y N 1.385 121.656 120.300 -0.048 0.000 2.587 301 Y HA 0.439 4.983 4.550 -0.010 0.000 0.344 301 Y C 1.648 177.480 175.900 -0.114 0.000 1.061 301 Y CA -0.298 57.763 58.100 -0.065 0.000 1.370 301 Y CB 0.136 38.582 38.460 -0.023 0.000 1.163 301 Y HN 0.386 nan 8.280 nan 0.000 0.527 302 L N 5.344 126.448 121.223 -0.199 0.000 2.463 302 L HA -0.038 4.296 4.340 -0.010 0.000 0.219 302 L C 1.735 178.284 176.870 -0.534 0.000 1.088 302 L CA 0.237 54.889 54.840 -0.312 0.000 0.849 302 L CB -0.201 41.758 42.059 -0.167 0.000 1.012 302 L HN 0.743 nan 8.230 nan 0.000 0.468 303 N N 0.892 119.090 118.700 -0.837 0.000 2.037 303 N HA -0.207 4.527 4.740 -0.010 0.000 0.196 303 N C -1.041 173.823 175.510 -1.076 0.000 1.034 303 N CA 1.365 53.829 53.050 -0.976 0.000 0.861 303 N CB -0.969 36.661 38.487 -1.428 0.000 1.039 303 N HN 0.240 nan 8.380 nan 0.000 0.427 304 P HA -0.080 nan 4.420 nan 0.000 0.216 304 P C 1.254 178.379 177.300 -0.292 0.000 1.150 304 P CA 1.415 64.050 63.100 -0.776 0.000 0.837 304 P CB -0.040 31.291 31.700 -0.615 0.000 0.786 305 T N -0.322 114.052 114.554 -0.300 0.000 2.737 305 T HA -0.059 4.285 4.350 -0.010 0.000 0.265 305 T C 1.753 176.409 174.700 -0.072 0.000 1.038 305 T CA 0.986 62.999 62.100 -0.145 0.000 1.144 305 T CB -0.958 67.820 68.868 -0.149 0.000 0.866 305 T HN 0.043 nan 8.240 nan 0.000 0.434 306 L N -0.290 120.877 121.223 -0.094 0.000 2.043 306 L HA -0.145 4.189 4.340 -0.010 0.000 0.212 306 L C 2.175 179.024 176.870 -0.035 0.000 1.075 306 L CA 1.572 56.400 54.840 -0.019 0.000 0.752 306 L CB -0.654 41.359 42.059 -0.076 0.000 0.891 306 L HN 0.310 nan 8.230 nan 0.000 0.432 307 Y N 0.284 120.551 120.300 -0.054 0.000 2.632 307 Y HA -0.160 4.385 4.550 -0.009 0.000 0.301 307 Y C 2.073 177.988 175.900 0.025 0.000 1.172 307 Y CA 0.576 58.679 58.100 0.006 0.000 1.328 307 Y CB -0.167 38.349 38.460 0.094 0.000 1.016 307 Y HN 0.426 nan 8.280 nan 0.000 0.529 308 Q N -1.194 118.678 119.800 0.121 0.000 2.171 308 Q HA 0.258 4.592 4.340 -0.010 0.000 0.218 308 Q C -0.310 175.724 176.000 0.056 0.000 0.822 308 Q CA 0.112 55.964 55.803 0.082 0.000 0.987 308 Q CB -0.252 28.524 28.738 0.063 0.000 1.144 308 Q HN 0.261 nan 8.270 nan 0.000 0.494 309 L N 2.558 123.822 121.223 0.068 0.000 2.466 309 L HA 0.417 4.751 4.340 -0.010 0.000 0.257 309 L C -1.734 175.180 176.870 0.075 0.000 1.189 309 L CA -2.207 52.667 54.840 0.057 0.000 0.813 309 L CB 0.159 42.255 42.059 0.062 0.000 1.118 309 L HN 0.136 nan 8.230 nan 0.000 0.471 310 P HA 0.095 nan 4.420 nan 0.000 0.272 310 P C -2.189 175.160 177.300 0.081 0.000 1.223 310 P CA -1.349 61.776 63.100 0.041 0.000 0.784 310 P CB 0.089 31.795 31.700 0.009 0.000 0.923 311 P HA -0.202 nan 4.420 nan 0.000 0.217 311 P C 1.044 178.408 177.300 0.106 0.000 1.148 311 P CA 1.639 64.812 63.100 0.121 0.000 0.828 311 P CB -0.004 31.738 31.700 0.070 0.000 0.783 312 E N 0.045 120.268 120.200 0.038 0.000 2.401 312 E HA -0.085 4.259 4.350 -0.010 0.000 0.199 312 E C 1.692 178.254 176.600 -0.062 0.000 1.023 312 E CA 0.714 57.116 56.400 0.004 0.000 0.859 312 E CB -1.593 28.102 29.700 -0.009 0.000 0.780 312 E HN 0.080 nan 8.360 nan 0.000 0.523 313 V N -0.179 119.646 119.914 -0.149 0.000 2.970 313 V HA 0.002 4.116 4.120 -0.010 0.000 0.260 313 V C 0.161 175.836 176.094 -0.700 0.000 1.100 313 V CA 0.934 62.968 62.300 -0.444 0.000 1.122 313 V CB -0.721 30.731 31.823 -0.618 0.000 0.721 313 V HN 0.172 nan 8.190 nan 0.000 0.483 314 F N -1.553 118.361 119.950 -0.061 0.000 2.561 314 F HA 0.476 4.997 4.527 -0.010 0.000 0.321 314 F C 0.246 176.055 175.800 0.014 0.000 1.065 314 F CA -1.025 56.941 58.000 -0.058 0.000 0.934 314 F CB 0.996 39.935 39.000 -0.102 0.000 1.215 314 F HN -0.132 nan 8.300 nan 0.000 0.471 315 H N 2.375 121.521 119.070 0.128 0.000 2.705 315 H HA 0.102 4.653 4.556 -0.009 0.000 0.291 315 H C -1.018 174.358 175.328 0.081 0.000 1.085 315 H CA -0.625 55.476 56.048 0.087 0.000 1.357 315 H CB 0.697 30.510 29.762 0.085 0.000 1.419 315 H HN 0.577 nan 8.280 nan 0.000 0.462 316 D N 5.126 125.397 120.400 -0.214 0.000 2.371 316 D HA 0.057 4.691 4.640 -0.010 0.000 0.256 316 D C -0.263 175.874 176.300 -0.271 0.000 1.193 316 D CA -0.198 53.689 54.000 -0.188 0.000 0.881 316 D CB 0.358 41.083 40.800 -0.126 0.000 1.143 316 D HN 0.415 nan 8.370 nan 0.000 0.473 317 I N 2.872 123.352 120.570 -0.149 0.000 2.365 317 I HA 0.159 4.323 4.170 -0.010 0.000 0.291 317 I C 1.593 177.659 176.117 -0.085 0.000 1.004 317 I CA 0.087 61.333 61.300 -0.090 0.000 1.311 317 I CB 1.698 39.689 38.000 -0.014 0.000 1.401 317 I HN 0.505 nan 8.210 nan 0.000 0.491 318 T N 0.483 115.001 114.554 -0.060 0.000 3.016 318 T HA 0.267 4.611 4.350 -0.010 0.000 0.271 318 T C 0.336 175.024 174.700 -0.020 0.000 0.968 318 T CA -0.301 61.772 62.100 -0.044 0.000 0.891 318 T CB -0.002 68.841 68.868 -0.041 0.000 1.149 318 T HN 0.515 nan 8.240 nan 0.000 0.524 319 E N 0.503 120.701 120.200 -0.003 0.000 2.187 319 E HA 0.562 4.906 4.350 -0.010 0.000 0.268 319 E C -0.010 176.602 176.600 0.020 0.000 0.896 319 E CA -0.240 56.167 56.400 0.011 0.000 0.766 319 E CB 1.197 30.911 29.700 0.023 0.000 1.142 319 E HN 0.579 nan 8.360 nan 0.000 0.408 320 G N 2.883 111.692 108.800 0.016 0.000 2.408 320 G HA2 -0.031 3.923 3.960 -0.010 0.000 0.682 320 G HA3 -0.031 3.923 3.960 -0.010 0.000 0.682 320 G C -1.390 173.515 174.900 0.008 0.000 1.303 320 G CA -0.441 44.670 45.100 0.019 0.000 0.966 320 G HN 0.913 nan 8.290 nan 0.000 0.560 321 N N -1.588 117.114 118.700 0.005 0.000 2.708 321 N HA 0.615 5.349 4.740 -0.010 0.000 0.257 321 N C -0.114 175.390 175.510 -0.010 0.000 1.373 321 N CA -0.312 52.737 53.050 -0.001 0.000 0.843 321 N CB 1.307 39.788 38.487 -0.009 0.000 1.503 321 N HN 0.806 nan 8.380 nan 0.000 0.504 322 N N -0.835 117.866 118.700 0.001 0.000 2.389 322 N HA 0.114 4.848 4.740 -0.010 0.000 0.260 322 N C -1.213 174.294 175.510 -0.005 0.000 1.191 322 N CA -0.246 52.791 53.050 -0.022 0.000 0.885 322 N CB 0.015 38.502 38.487 0.000 0.000 1.162 322 N HN 0.618 nan 8.380 nan 0.000 0.512 323 D N 1.142 121.539 120.400 -0.005 0.000 2.313 323 D HA 0.170 4.804 4.640 -0.010 0.000 0.239 323 D C 0.711 177.013 176.300 0.003 0.000 1.142 323 D CA -0.507 53.508 54.000 0.025 0.000 0.847 323 D CB 1.038 41.847 40.800 0.014 0.000 1.082 323 D HN 0.356 nan 8.370 nan 0.000 0.480 324 I N 1.226 121.802 120.570 0.010 0.000 4.147 324 I HA 0.422 4.586 4.170 -0.010 0.000 0.329 324 I C 1.034 177.153 176.117 0.004 0.000 1.424 324 I CA -0.329 60.962 61.300 -0.015 0.000 1.127 324 I CB 0.601 38.569 38.000 -0.054 0.000 1.128 324 I HN 0.224 nan 8.210 nan 0.000 0.417 325 A N 1.285 124.120 122.820 0.026 0.000 2.035 325 A HA 0.411 4.725 4.320 -0.010 0.000 0.208 325 A C 0.866 178.455 177.584 0.009 0.000 1.206 325 A CA 0.777 52.821 52.037 0.012 0.000 0.773 325 A CB -0.162 18.836 19.000 -0.003 0.000 0.878 325 A HN 0.620 nan 8.150 nan 0.000 0.469 326 N N -2.569 116.147 118.700 0.027 0.000 3.364 326 N HA 0.239 4.973 4.740 -0.010 0.000 0.294 326 N C -0.844 174.679 175.510 0.022 0.000 1.562 326 N CA -0.855 52.207 53.050 0.021 0.000 0.862 326 N CB 0.384 38.886 38.487 0.025 0.000 1.691 326 N HN -0.145 nan 8.380 nan 0.000 0.572 327 R N -0.505 120.004 120.500 0.015 0.000 2.359 327 R HA 0.258 4.592 4.340 -0.010 0.000 0.231 327 R C 1.100 177.402 176.300 0.003 0.000 0.913 327 R CA 0.176 56.281 56.100 0.008 0.000 1.075 327 R CB -0.655 29.647 30.300 0.004 0.000 1.087 327 R HN 0.678 nan 8.270 nan 0.000 0.515 328 A N 1.077 123.903 122.820 0.010 0.000 2.206 328 A HA -0.010 4.304 4.320 -0.010 0.000 0.211 328 A C 0.599 178.152 177.584 -0.052 0.000 1.158 328 A CA 0.015 52.045 52.037 -0.012 0.000 0.761 328 A CB -0.156 18.849 19.000 0.008 0.000 0.801 328 A HN 0.332 nan 8.150 nan 0.000 0.473 329 R N -1.638 118.835 120.500 -0.045 0.000 3.525 329 R HA -0.160 4.174 4.340 -0.010 0.000 0.276 329 R C -1.004 175.208 176.300 -0.147 0.000 1.116 329 R CA 0.821 56.883 56.100 -0.064 0.000 0.745 329 R CB -2.231 28.044 30.300 -0.042 0.000 1.185 329 R HN 0.556 nan 8.270 nan 0.000 0.454 330 I N 1.455 121.865 120.570 -0.268 0.000 2.297 330 I HA 0.236 4.400 4.170 -0.010 0.000 0.291 330 I C 0.337 176.156 176.117 -0.496 0.000 1.033 330 I CA -0.436 60.460 61.300 -0.672 0.000 1.253 330 I CB 0.452 37.752 38.000 -1.168 0.000 1.396 330 I HN -0.038 nan 8.210 nan 0.000 0.476 331 Y N 4.278 124.480 120.300 -0.164 0.000 2.568 331 Y HA 0.501 5.045 4.550 -0.010 0.000 0.327 331 Y C 0.227 176.072 175.900 -0.092 0.000 1.163 331 Y CA -0.640 57.377 58.100 -0.138 0.000 1.219 331 Y CB 1.031 39.423 38.460 -0.113 0.000 1.308 331 Y HN 0.435 nan 8.280 nan 0.000 0.503 332 Q N 0.778 120.631 119.800 0.090 0.000 2.345 332 Q HA 0.743 5.077 4.340 -0.010 0.000 0.268 332 Q C -1.038 174.967 176.000 0.007 0.000 1.054 332 Q CA -0.993 54.827 55.803 0.028 0.000 0.835 332 Q CB 1.817 30.560 28.738 0.008 0.000 1.339 332 Q HN 0.843 nan 8.270 nan 0.000 0.447 333 A N 1.501 124.309 122.820 -0.019 0.000 2.313 333 A HA 0.799 5.113 4.320 -0.010 0.000 0.261 333 A C 0.154 177.717 177.584 -0.035 0.000 1.090 333 A CA 0.623 52.628 52.037 -0.053 0.000 0.807 333 A CB 0.571 19.542 19.000 -0.049 0.000 1.055 333 A HN 0.847 nan 8.150 nan 0.000 0.492 334 G N -0.664 108.107 108.800 -0.048 0.000 2.489 334 G HA2 0.602 4.556 3.960 -0.010 0.000 0.305 334 G HA3 0.602 4.556 3.960 -0.010 0.000 0.305 334 G C -3.356 171.526 174.900 -0.030 0.000 1.311 334 G CA -0.614 44.471 45.100 -0.023 0.000 0.813 334 G HN 0.597 nan 8.290 nan 0.000 0.480 335 P HA 0.415 nan 4.420 nan 0.000 0.268 335 P C 0.890 178.193 177.300 0.006 0.000 1.204 335 P CA 1.665 64.759 63.100 -0.010 0.000 0.768 335 P CB 0.972 32.673 31.700 0.002 0.000 0.842 336 G N 2.765 111.562 108.800 -0.005 0.000 2.593 336 G HA2 -0.247 3.707 3.960 -0.010 0.000 0.237 336 G HA3 -0.247 3.707 3.960 -0.010 0.000 0.237 336 G C -1.015 173.902 174.900 0.029 0.000 1.312 336 G CA -0.270 44.846 45.100 0.027 0.000 0.896 336 G HN 0.640 nan 8.290 nan 0.000 0.574 337 W N 2.468 123.725 121.300 -0.072 0.000 2.193 337 W HA 0.466 5.121 4.660 -0.009 0.000 0.338 337 W C 0.562 177.059 176.519 -0.036 0.000 1.310 337 W CA 1.038 58.343 57.345 -0.067 0.000 1.243 337 W CB 0.373 29.827 29.460 -0.009 0.000 1.165 337 W HN 0.948 nan 8.180 nan 0.000 0.566 338 D N 3.732 123.591 120.400 -0.902 0.000 2.570 338 D HA 0.370 5.004 4.640 -0.010 0.000 0.244 338 D C -2.622 172.804 176.300 -1.456 0.000 1.178 338 D CA -1.925 51.612 54.000 -0.770 0.000 0.881 338 D CB 1.795 42.403 40.800 -0.320 0.000 1.453 338 D HN 0.042 nan 8.370 nan 0.000 0.447 339 P HA 0.228 nan 4.420 nan 0.000 0.255 339 P C -0.050 177.062 177.300 -0.313 0.000 1.427 339 P CA 0.034 62.802 63.100 -0.554 0.000 0.863 339 P CB -0.108 31.297 31.700 -0.492 0.000 1.444 340 C N -2.475 116.639 119.300 -0.310 0.000 2.735 340 C HA 0.138 4.592 4.460 -0.010 0.000 0.444 340 C C 1.866 176.770 174.990 -0.143 0.000 1.331 340 C CA 1.062 59.997 59.018 -0.138 0.000 2.225 340 C CB -0.505 27.190 27.740 -0.074 0.000 2.917 340 C HN 0.296 nan 8.230 nan 0.000 0.567 341 T N -2.538 111.856 114.554 -0.267 0.000 3.087 341 T HA 0.482 4.826 4.350 -0.010 0.000 0.283 341 T C 1.096 175.594 174.700 -0.335 0.000 0.956 341 T CA 1.140 63.122 62.100 -0.198 0.000 0.894 341 T CB 0.235 69.036 68.868 -0.112 0.000 1.160 341 T HN 0.895 nan 8.240 nan 0.000 0.532 342 G N 2.813 111.195 108.800 -0.696 0.000 2.583 342 G HA2 -0.316 3.638 3.960 -0.010 0.000 0.292 342 G HA3 -0.316 3.638 3.960 -0.010 0.000 0.292 342 G C 0.625 175.110 174.900 -0.691 0.000 1.203 342 G CA 0.311 44.854 45.100 -0.929 0.000 0.987 342 G HN 0.539 nan 8.290 nan 0.000 0.554 343 L N 2.589 123.547 121.223 -0.443 0.000 2.551 343 L HA 0.399 4.733 4.340 -0.010 0.000 0.228 343 L C 1.885 178.476 176.870 -0.465 0.000 1.153 343 L CA 1.072 55.544 54.840 -0.615 0.000 0.851 343 L CB -1.164 40.090 42.059 -1.343 0.000 0.959 343 L HN 1.911 nan 8.230 nan 0.000 0.451 344 G N -0.267 108.371 108.800 -0.269 0.000 2.472 344 G HA2 -0.205 3.749 3.960 -0.010 0.000 0.205 344 G HA3 -0.205 3.749 3.960 -0.010 0.000 0.205 344 G C -0.372 174.546 174.900 0.031 0.000 1.270 344 G CA -0.295 44.759 45.100 -0.076 0.000 0.974 344 G HN 0.259 nan 8.290 nan 0.000 0.542 345 S N 1.654 117.408 115.700 0.090 0.000 2.499 345 S HA 0.727 5.191 4.470 -0.010 0.000 0.279 345 S C -2.056 172.505 174.600 -0.064 0.000 1.219 345 S CA -0.619 57.544 58.200 -0.062 0.000 1.062 345 S CB 2.146 65.199 63.200 -0.246 0.000 0.978 345 S HN 0.774 nan 8.310 nan 0.000 0.489 346 P HA 0.277 nan 4.420 nan 0.000 0.271 346 P C -0.805 176.343 177.300 -0.253 0.000 1.218 346 P CA -0.405 62.482 63.100 -0.355 0.000 0.780 346 P CB 0.501 31.866 31.700 -0.558 0.000 0.901 347 I N 2.380 122.798 120.570 -0.253 0.000 2.337 347 I HA 0.165 4.329 4.170 -0.010 0.000 0.285 347 I C 1.905 177.937 176.117 -0.141 0.000 1.041 347 I CA -0.295 60.947 61.300 -0.097 0.000 1.199 347 I CB 0.882 38.830 38.000 -0.087 0.000 1.370 347 I HN 0.462 nan 8.210 nan 0.000 0.470 348 G N 5.508 114.281 108.800 -0.045 0.000 2.529 348 G HA2 -0.299 3.655 3.960 -0.010 0.000 0.219 348 G HA3 -0.299 3.655 3.960 -0.010 0.000 0.219 348 G C 1.431 176.256 174.900 -0.125 0.000 1.177 348 G CA 0.881 45.906 45.100 -0.125 0.000 0.773 348 G HN 0.612 nan 8.290 nan 0.000 0.573 349 I N 0.603 121.141 120.570 -0.053 0.000 2.361 349 I HA -0.036 4.128 4.170 -0.010 0.000 0.251 349 I C 2.772 178.836 176.117 -0.089 0.000 1.133 349 I CA 1.027 62.294 61.300 -0.055 0.000 1.413 349 I CB -0.164 37.825 38.000 -0.018 0.000 1.073 349 I HN 0.086 nan 8.210 nan 0.000 0.424 350 R N -0.570 119.862 120.500 -0.113 0.000 2.115 350 R HA -0.071 4.263 4.340 -0.010 0.000 0.226 350 R C 2.124 178.310 176.300 -0.189 0.000 1.100 350 R CA 1.272 57.289 56.100 -0.138 0.000 0.980 350 R CB -0.551 29.660 30.300 -0.147 0.000 0.875 350 R HN 0.314 nan 8.270 nan 0.000 0.445 351 L N 1.103 122.176 121.223 -0.249 0.000 2.056 351 L HA -0.107 4.227 4.340 -0.010 0.000 0.207 351 L C 2.021 178.775 176.870 -0.193 0.000 1.078 351 L CA 1.432 56.103 54.840 -0.283 0.000 0.749 351 L CB -0.532 41.314 42.059 -0.355 0.000 0.901 351 L HN 0.099 nan 8.230 nan 0.000 0.433 352 L N -0.317 120.807 121.223 -0.164 0.000 2.017 352 L HA -0.234 4.100 4.340 -0.010 0.000 0.208 352 L C 2.456 179.267 176.870 -0.097 0.000 1.073 352 L CA 1.872 56.639 54.840 -0.123 0.000 0.745 352 L CB -0.869 41.128 42.059 -0.104 0.000 0.894 352 L HN 0.451 nan 8.230 nan 0.000 0.432 353 Q N -0.531 119.214 119.800 -0.092 0.000 2.135 353 Q HA -0.157 4.177 4.340 -0.010 0.000 0.204 353 Q C 2.174 178.130 176.000 -0.073 0.000 0.981 353 Q CA 1.650 57.410 55.803 -0.072 0.000 0.856 353 Q CB -0.405 28.294 28.738 -0.065 0.000 0.902 353 Q HN 0.705 nan 8.270 nan 0.000 0.425 354 A N 0.293 123.057 122.820 -0.094 0.000 2.119 354 A HA -0.050 4.264 4.320 -0.010 0.000 0.217 354 A C 1.784 179.321 177.584 -0.078 0.000 1.153 354 A CA 0.785 52.770 52.037 -0.086 0.000 0.692 354 A CB -0.182 18.752 19.000 -0.110 0.000 0.799 354 A HN 0.280 nan 8.150 nan 0.000 0.458 355 L N -0.848 120.324 121.223 -0.085 0.000 2.585 355 L HA 0.245 4.579 4.340 -0.010 0.000 0.226 355 L C 0.039 176.874 176.870 -0.058 0.000 1.113 355 L CA -0.192 54.603 54.840 -0.075 0.000 0.876 355 L CB -0.052 41.954 42.059 -0.089 0.000 1.072 355 L HN 0.224 nan 8.230 nan 0.000 0.468 356 L N 1.329 122.519 121.223 -0.054 0.000 2.350 356 L HA 0.338 4.672 4.340 -0.010 0.000 0.275 356 L C -1.639 175.210 176.870 -0.035 0.000 1.099 356 L CA -1.440 53.375 54.840 -0.042 0.000 0.808 356 L CB 0.609 42.644 42.059 -0.041 0.000 1.149 356 L HN -0.043 nan 8.230 nan 0.000 0.442 357 P HA 0.000 nan 4.420 nan 0.000 0.216 357 P CA 0.000 63.086 63.100 -0.024 0.000 0.800 357 P CB 0.000 31.688 31.700 -0.020 0.000 0.726