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 3oks_1_C DATA FIRST_RESID 0 DATA SEQUENCE SMVSHPEQSR HLATAIPGPR SQALIDRKGT AVARGVGTTM PVYAVRAGGG DATA SEQUENCE IVEDVDGNRL IDLGSGIAVT TVGNSAPKVV EAVRSQVGDF THTCFMVTPY DATA SEQUENCE EGYVAVCEQL NRLTPVRGDK RSALFNSGSE AVENAVKIAR SHTHKPAVVA DATA SEQUENCE FDHAYHGRTN LTMALTAKVM PYKDGFGPFA PEIYRAPLSY PFRDAEFGKE DATA SEQUENCE LATDGELAAK RAITVIDKQI GADNLAAVVI EPIQGEGGFI VPADGFLPTL DATA SEQUENCE LDWCRKNDVV FIADEVQTGF ARTGAMFACE HEGIDPDLIV TAXGIAGGLP DATA SEQUENCE LSAVTGRAEI MDSPHVSGLG GTYGGNPIAC AAALATIETI ESEGLVARAQ DATA SEQUENCE QIEKIMKDRL GRLQAEDDRI GDVRGRGAMI AMELVKAGTT EPDADLTKAL DATA SEQUENCE CAGAHAAGVI VLSCGTYGNV VRFLPPLSIG DDLLNEGLDV LEEVLRG 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.572 174.600 -0.046 0.000 1.055 0 S CA 0.000 58.178 58.200 -0.037 0.000 1.107 0 S CB 0.000 63.174 63.200 -0.043 0.000 0.593 1 M N 2.552 122.127 119.600 -0.041 0.000 2.494 1 M HA 0.223 4.701 4.480 -0.003 0.000 0.232 1 M C 0.655 176.920 176.300 -0.059 0.000 1.137 1 M CA 0.269 55.542 55.300 -0.044 0.000 1.012 1 M CB -0.599 31.983 32.600 -0.030 0.000 1.567 1 M HN 0.474 nan 8.290 nan 0.000 0.486 2 V N 1.352 121.217 119.914 -0.081 0.000 2.715 2 V HA 0.135 4.253 4.120 -0.003 0.000 0.299 2 V C 0.149 176.135 176.094 -0.179 0.000 1.054 2 V CA 0.302 62.537 62.300 -0.109 0.000 1.077 2 V CB 1.370 33.125 31.823 -0.112 0.000 0.972 2 V HN 0.406 nan 8.190 nan 0.000 0.484 3 S N 5.280 120.905 115.700 -0.126 0.000 2.664 3 S HA 0.477 4.945 4.470 -0.003 0.000 0.262 3 S C -0.391 174.201 174.600 -0.014 0.000 1.229 3 S CA -0.635 57.499 58.200 -0.109 0.000 1.151 3 S CB -0.094 63.078 63.200 -0.048 0.000 1.054 3 S HN 0.968 nan 8.310 nan 0.000 0.483 4 H N 2.606 121.672 119.070 -0.007 0.000 2.822 4 H HA 0.211 4.765 4.556 -0.003 0.000 0.373 4 H C -1.872 173.454 175.328 -0.005 0.000 1.223 4 H CA -1.347 54.698 56.048 -0.006 0.000 1.436 4 H CB 0.153 29.912 29.762 -0.005 0.000 1.439 4 H HN 0.409 nan 8.280 nan 0.000 0.618 5 P HA -0.036 nan 4.420 nan 0.000 0.271 5 P C -0.597 176.737 177.300 0.056 0.000 1.238 5 P CA -0.124 63.016 63.100 0.065 0.000 0.794 5 P CB 0.487 32.213 31.700 0.043 0.000 0.959 6 E N 0.456 120.672 120.200 0.027 0.000 2.502 6 E HA -0.043 4.305 4.350 -0.003 0.000 0.261 6 E C 0.290 176.903 176.600 0.022 0.000 0.974 6 E CA 0.567 56.975 56.400 0.014 0.000 0.936 6 E CB -0.230 29.461 29.700 -0.015 0.000 0.926 6 E HN 0.199 nan 8.360 nan 0.000 0.459 7 Q N 1.887 121.700 119.800 0.022 0.000 3.135 7 Q HA 0.183 4.521 4.340 -0.003 0.000 0.344 7 Q C -0.872 175.141 176.000 0.021 0.000 1.321 7 Q CA -0.187 55.630 55.803 0.024 0.000 1.050 7 Q CB -0.241 28.514 28.738 0.028 0.000 1.498 7 Q HN 0.510 nan 8.270 nan 0.000 0.503 8 S N -0.926 114.789 115.700 0.025 0.000 2.533 8 S HA 0.531 4.999 4.470 -0.003 0.000 0.271 8 S C -0.550 174.084 174.600 0.058 0.000 1.143 8 S CA -1.080 57.140 58.200 0.033 0.000 0.891 8 S CB 2.409 65.623 63.200 0.023 0.000 1.105 8 S HN 0.409 nan 8.310 nan 0.000 0.468 9 R N 0.907 121.445 120.500 0.063 0.000 2.590 9 R HA 0.388 4.727 4.340 -0.003 0.000 0.274 9 R C -1.042 175.345 176.300 0.145 0.000 1.061 9 R CA 0.192 56.341 56.100 0.081 0.000 1.081 9 R CB 0.187 30.520 30.300 0.056 0.000 0.984 9 R HN 0.877 nan 8.270 nan 0.000 0.448 10 H N 3.615 122.692 119.070 0.013 0.000 3.083 10 H HA 0.268 4.822 4.556 -0.003 0.000 0.339 10 H C -1.664 173.672 175.328 0.013 0.000 1.020 10 H CA -0.504 55.551 56.048 0.012 0.000 1.360 10 H CB 0.861 30.630 29.762 0.012 0.000 1.811 10 H HN 0.486 nan 8.280 nan 0.000 0.493 11 L N 5.319 126.280 121.223 -0.438 0.000 2.335 11 L HA 0.481 4.819 4.340 -0.003 0.000 0.268 11 L C 1.078 177.649 176.870 -0.498 0.000 1.037 11 L CA -0.204 54.435 54.840 -0.335 0.000 0.895 11 L CB 1.248 43.214 42.059 -0.154 0.000 1.266 11 L HN 0.846 nan 8.230 nan 0.000 0.439 12 A N 1.776 124.302 122.820 -0.490 0.000 1.968 12 A HA 0.041 4.359 4.320 -0.003 0.000 0.217 12 A C 1.135 178.651 177.584 -0.113 0.000 1.169 12 A CA 1.560 53.438 52.037 -0.266 0.000 0.638 12 A CB -0.095 18.881 19.000 -0.039 0.000 0.812 12 A HN 0.609 nan 8.150 nan 0.000 0.446 13 T N -4.859 109.641 114.554 -0.089 0.000 2.838 13 T HA 0.695 5.043 4.350 -0.003 0.000 0.292 13 T C -0.022 174.654 174.700 -0.040 0.000 1.113 13 T CA -0.288 61.785 62.100 -0.044 0.000 1.008 13 T CB 1.114 69.970 68.868 -0.019 0.000 1.259 13 T HN 0.925 nan 8.240 nan 0.000 0.520 14 A N 0.861 123.668 122.820 -0.022 0.000 2.448 14 A HA 0.551 4.870 4.320 -0.003 0.000 0.239 14 A C 0.242 177.823 177.584 -0.005 0.000 1.080 14 A CA -0.513 51.516 52.037 -0.013 0.000 0.779 14 A CB -0.407 18.590 19.000 -0.006 0.000 1.026 14 A HN 0.754 nan 8.150 nan 0.000 0.499 15 I N 2.906 123.478 120.570 0.004 0.000 2.354 15 I HA 0.283 4.452 4.170 -0.003 0.000 0.286 15 I C -1.962 174.169 176.117 0.023 0.000 1.007 15 I CA -1.687 59.622 61.300 0.015 0.000 1.167 15 I CB 0.890 38.903 38.000 0.021 0.000 1.320 15 I HN 0.520 nan 8.210 nan 0.000 0.458 16 P HA 0.291 nan 4.420 nan 0.000 0.277 16 P C 0.125 177.437 177.300 0.020 0.000 1.240 16 P CA -0.116 63.004 63.100 0.032 0.000 0.798 16 P CB 1.341 33.068 31.700 0.045 0.000 0.979 17 G N 1.788 110.601 108.800 0.021 0.000 2.580 17 G HA2 0.322 4.280 3.960 -0.003 0.000 0.278 17 G HA3 0.322 4.280 3.960 -0.003 0.000 0.278 17 G C -1.709 173.196 174.900 0.008 0.000 1.212 17 G CA -1.127 43.980 45.100 0.011 0.000 0.939 17 G HN 0.266 nan 8.290 nan 0.000 0.513 18 P HA -0.058 nan 4.420 nan 0.000 0.217 18 P C 1.796 179.084 177.300 -0.019 0.000 1.150 18 P CA 0.960 64.055 63.100 -0.008 0.000 0.832 18 P CB 0.180 31.875 31.700 -0.007 0.000 0.787 19 R N -0.457 120.034 120.500 -0.015 0.000 2.092 19 R HA -0.014 4.325 4.340 -0.003 0.000 0.231 19 R C 2.482 178.748 176.300 -0.057 0.000 1.119 19 R CA 1.465 57.547 56.100 -0.031 0.000 0.970 19 R CB -0.880 29.412 30.300 -0.012 0.000 0.864 19 R HN 0.172 nan 8.270 nan 0.000 0.440 20 S N 0.911 116.605 115.700 -0.011 0.000 2.368 20 S HA -0.189 4.280 4.470 -0.003 0.000 0.225 20 S C 1.855 176.427 174.600 -0.048 0.000 1.030 20 S CA 1.255 59.464 58.200 0.015 0.000 0.999 20 S CB -0.144 63.132 63.200 0.126 0.000 0.844 20 S HN 0.228 nan 8.310 nan 0.000 0.459 21 Q N 1.730 121.515 119.800 -0.025 0.000 2.084 21 Q HA 0.019 4.358 4.340 -0.003 0.000 0.202 21 Q C 2.032 177.987 176.000 -0.074 0.000 0.978 21 Q CA 1.755 57.540 55.803 -0.030 0.000 0.844 21 Q CB -0.674 28.056 28.738 -0.013 0.000 0.898 21 Q HN 0.479 nan 8.270 nan 0.000 0.426 22 A N -0.104 122.661 122.820 -0.092 0.000 1.940 22 A HA -0.143 4.175 4.320 -0.003 0.000 0.219 22 A C 2.088 179.563 177.584 -0.180 0.000 1.176 22 A CA 1.426 53.399 52.037 -0.107 0.000 0.631 22 A CB -0.688 18.259 19.000 -0.089 0.000 0.814 22 A HN 0.458 nan 8.150 nan 0.000 0.446 23 L N -0.809 120.222 121.223 -0.321 0.000 2.109 23 L HA -0.083 4.255 4.340 -0.003 0.000 0.207 23 L C 2.386 178.952 176.870 -0.507 0.000 1.086 23 L CA 0.825 55.298 54.840 -0.610 0.000 0.760 23 L CB -0.329 40.968 42.059 -1.271 0.000 0.910 23 L HN 0.369 nan 8.230 nan 0.000 0.437 24 I N -0.179 120.225 120.570 -0.277 0.000 2.226 24 I HA -0.309 3.860 4.170 -0.003 0.000 0.245 24 I C 2.007 178.109 176.117 -0.024 0.000 1.100 24 I CA 1.174 62.467 61.300 -0.013 0.000 1.374 24 I CB -0.353 37.681 38.000 0.057 0.000 1.057 24 I HN 0.276 nan 8.210 nan 0.000 0.413 25 D N 0.711 121.077 120.400 -0.056 0.000 2.117 25 D HA -0.147 4.492 4.640 -0.003 0.000 0.197 25 D C 2.336 178.614 176.300 -0.037 0.000 0.987 25 D CA 1.188 55.166 54.000 -0.036 0.000 0.829 25 D CB -0.252 40.525 40.800 -0.039 0.000 0.961 25 D HN 0.274 nan 8.370 nan 0.000 0.460 26 R N 0.564 121.023 120.500 -0.069 0.000 2.081 26 R HA -0.084 4.254 4.340 -0.003 0.000 0.235 26 R C 2.230 178.518 176.300 -0.019 0.000 1.131 26 R CA 0.929 56.997 56.100 -0.053 0.000 0.960 26 R CB -0.108 30.142 30.300 -0.083 0.000 0.856 26 R HN 0.023 nan 8.270 nan 0.000 0.436 27 K N 0.637 121.034 120.400 -0.005 0.000 2.032 27 K HA -0.135 4.183 4.320 -0.003 0.000 0.209 27 K C 2.010 178.636 176.600 0.043 0.000 1.048 27 K CA 1.952 58.274 56.287 0.058 0.000 0.927 27 K CB -0.595 31.997 32.500 0.154 0.000 0.712 27 K HN 0.304 nan 8.250 nan 0.000 0.441 28 G N 0.072 108.891 108.800 0.031 0.000 2.450 28 G HA2 -0.246 3.712 3.960 -0.003 0.000 0.220 28 G HA3 -0.246 3.712 3.960 -0.003 0.000 0.220 28 G C 1.396 176.307 174.900 0.019 0.000 1.130 28 G CA 1.663 46.778 45.100 0.026 0.000 0.760 28 G HN 0.568 nan 8.290 nan 0.000 0.557 29 T N -3.652 110.909 114.554 0.012 0.000 3.069 29 T HA 0.628 4.976 4.350 -0.003 0.000 0.252 29 T C 1.752 176.460 174.700 0.012 0.000 1.053 29 T CA 0.973 63.078 62.100 0.009 0.000 0.964 29 T CB 0.799 69.669 68.868 0.003 0.000 1.005 29 T HN 0.291 nan 8.240 nan 0.000 0.532 30 A N 0.599 123.428 122.820 0.016 0.000 2.141 30 A HA 0.679 4.997 4.320 -0.003 0.000 0.201 30 A C 0.519 178.118 177.584 0.025 0.000 1.344 30 A CA -0.014 52.034 52.037 0.019 0.000 0.971 30 A CB 0.670 19.680 19.000 0.017 0.000 1.035 30 A HN 0.349 nan 8.150 nan 0.000 0.480 31 V N 1.074 121.007 119.914 0.032 0.000 2.513 31 V HA 0.645 4.763 4.120 -0.003 0.000 0.299 31 V C 0.662 176.777 176.094 0.034 0.000 1.035 31 V CA -0.855 61.466 62.300 0.036 0.000 0.889 31 V CB 1.150 33.001 31.823 0.047 0.000 0.988 31 V HN 0.497 nan 8.190 nan 0.000 0.440 32 A N 4.296 127.136 122.820 0.033 0.000 2.531 32 A HA 0.159 4.477 4.320 -0.003 0.000 0.236 32 A C 1.436 179.043 177.584 0.039 0.000 1.062 32 A CA 0.474 52.532 52.037 0.035 0.000 0.760 32 A CB -0.071 18.950 19.000 0.035 0.000 0.995 32 A HN 1.088 nan 8.150 nan 0.000 0.501 33 R N 2.238 122.762 120.500 0.040 0.000 2.193 33 R HA -0.044 4.294 4.340 -0.003 0.000 0.229 33 R C 1.589 177.917 176.300 0.046 0.000 1.110 33 R CA 1.658 57.782 56.100 0.040 0.000 0.988 33 R CB -0.652 29.669 30.300 0.036 0.000 0.871 33 R HN 0.671 nan 8.270 nan 0.000 0.458 34 G N 1.163 109.997 108.800 0.057 0.000 2.479 34 G HA2 -0.106 3.853 3.960 -0.003 0.000 0.220 34 G HA3 -0.106 3.853 3.960 -0.003 0.000 0.220 34 G C 0.401 175.337 174.900 0.060 0.000 1.115 34 G CA 0.487 45.631 45.100 0.074 0.000 0.757 34 G HN 0.178 nan 8.290 nan 0.000 0.560 35 V N 1.882 121.822 119.914 0.044 0.000 2.352 35 V HA 0.487 4.606 4.120 -0.003 0.000 0.253 35 V C 1.130 177.240 176.094 0.027 0.000 1.083 35 V CA -0.451 61.870 62.300 0.035 0.000 0.993 35 V CB 0.258 32.098 31.823 0.029 0.000 1.111 35 V HN 0.230 nan 8.190 nan 0.000 0.490 36 G N 3.760 112.573 108.800 0.023 0.000 2.507 36 G HA2 0.571 4.529 3.960 -0.003 0.000 0.271 36 G HA3 0.571 4.529 3.960 -0.003 0.000 0.271 36 G C 0.048 174.943 174.900 -0.009 0.000 1.189 36 G CA -0.111 44.995 45.100 0.010 0.000 0.859 36 G HN 0.716 nan 8.290 nan 0.000 0.542 37 T N -1.880 112.662 114.554 -0.020 0.000 2.861 37 T HA 0.503 4.851 4.350 -0.003 0.000 0.287 37 T C 0.867 175.530 174.700 -0.061 0.000 1.003 37 T CA -0.512 61.554 62.100 -0.055 0.000 0.977 37 T CB 1.903 70.728 68.868 -0.071 0.000 0.996 37 T HN 0.235 nan 8.240 nan 0.000 0.448 38 T N 2.311 116.807 114.554 -0.095 0.000 2.814 38 T HA 0.151 4.499 4.350 -0.003 0.000 0.254 38 T C 0.925 175.509 174.700 -0.194 0.000 1.037 38 T CA 0.580 62.611 62.100 -0.114 0.000 1.143 38 T CB -0.106 68.683 68.868 -0.132 0.000 0.866 38 T HN 0.485 nan 8.240 nan 0.000 0.431 39 M N 2.309 121.760 119.600 -0.248 0.000 2.233 39 M HA 0.275 4.753 4.480 -0.003 0.000 0.355 39 M C -2.029 174.183 176.300 -0.148 0.000 1.191 39 M CA -2.943 52.188 55.300 -0.281 0.000 1.101 39 M CB 0.511 32.941 32.600 -0.283 0.000 1.592 39 M HN -0.054 nan 8.290 nan 0.000 0.461 40 P HA 0.163 nan 4.420 nan 0.000 0.244 40 P C -0.576 176.754 177.300 0.049 0.000 1.632 40 P CA 0.047 63.152 63.100 0.009 0.000 0.944 40 P CB -0.350 31.369 31.700 0.031 0.000 1.569 41 V N -3.240 116.673 119.914 -0.001 0.000 2.914 41 V HA 0.581 4.700 4.120 -0.003 0.000 0.314 41 V C -1.292 174.797 176.094 -0.009 0.000 1.084 41 V CA -1.377 60.959 62.300 0.060 0.000 0.963 41 V CB 1.976 33.809 31.823 0.017 0.000 1.025 41 V HN -0.167 nan 8.190 nan 0.000 0.432 42 Y N 2.131 122.418 120.300 -0.021 0.000 2.335 42 Y HA 0.764 5.312 4.550 -0.003 0.000 0.339 42 Y C 0.829 176.720 175.900 -0.015 0.000 0.987 42 Y CA 0.062 58.151 58.100 -0.018 0.000 1.140 42 Y CB 1.578 40.030 38.460 -0.012 0.000 1.173 42 Y HN 1.085 nan 8.280 nan 0.000 0.486 43 A N 2.859 125.675 122.820 -0.006 0.000 2.440 43 A HA 0.436 4.754 4.320 -0.003 0.000 0.251 43 A C 0.902 178.509 177.584 0.038 0.000 1.089 43 A CA 0.130 52.167 52.037 0.000 0.000 0.779 43 A CB 0.191 19.165 19.000 -0.044 0.000 1.022 43 A HN 0.898 nan 8.150 nan 0.000 0.492 44 V N -1.065 118.870 119.914 0.034 0.000 3.307 44 V HA 0.661 4.779 4.120 -0.003 0.000 0.244 44 V C 0.833 176.941 176.094 0.023 0.000 1.196 44 V CA 1.040 63.360 62.300 0.035 0.000 1.132 44 V CB -1.189 30.657 31.823 0.039 0.000 0.875 44 V HN 1.483 nan 8.190 nan 0.000 0.468 45 R N -0.419 120.092 120.500 0.018 0.000 2.710 45 R HA 0.962 5.300 4.340 -0.003 0.000 0.270 45 R C -0.773 175.529 176.300 0.004 0.000 1.021 45 R CA -0.107 56.004 56.100 0.018 0.000 0.889 45 R CB 1.144 31.463 30.300 0.032 0.000 1.243 45 R HN 1.969 nan 8.270 nan 0.000 0.464 46 A N -0.240 122.575 122.820 -0.008 0.000 2.605 46 A HA 0.986 5.304 4.320 -0.003 0.000 0.294 46 A C -0.045 177.459 177.584 -0.133 0.000 1.062 46 A CA -0.249 51.757 52.037 -0.052 0.000 0.682 46 A CB 1.332 20.297 19.000 -0.059 0.000 1.278 46 A HN 2.560 nan 8.150 nan 0.000 0.410 47 G N -1.013 107.648 108.800 -0.231 0.000 2.340 47 G HA2 0.694 4.653 3.960 -0.003 0.000 0.298 47 G HA3 0.694 4.653 3.960 -0.003 0.000 0.298 47 G C 0.622 175.292 174.900 -0.383 0.000 1.498 47 G CA 1.122 45.852 45.100 -0.617 0.000 0.847 47 G HN 2.666 nan 8.290 nan 0.000 0.594 48 G N 0.014 108.575 108.800 -0.398 0.000 2.602 48 G HA2 0.174 4.133 3.960 -0.003 0.000 0.310 48 G HA3 0.174 4.133 3.960 -0.003 0.000 0.310 48 G C 1.334 176.188 174.900 -0.078 0.000 1.183 48 G CA 1.675 46.709 45.100 -0.109 0.000 0.979 48 G HN 2.330 nan 8.290 nan 0.000 0.545 49 G N -0.589 108.189 108.800 -0.037 0.000 3.575 49 G HA2 0.533 4.491 3.960 -0.003 0.000 0.273 49 G HA3 0.533 4.491 3.960 -0.003 0.000 0.273 49 G C 0.127 175.017 174.900 -0.016 0.000 1.053 49 G CA 0.376 45.464 45.100 -0.020 0.000 0.803 49 G HN 0.575 nan 8.290 nan 0.000 0.528 50 I N 0.869 121.420 120.570 -0.030 0.000 2.689 50 I HA 0.457 4.625 4.170 -0.003 0.000 0.299 50 I C -0.863 175.237 176.117 -0.028 0.000 1.059 50 I CA -1.059 60.232 61.300 -0.015 0.000 1.055 50 I CB 2.186 40.188 38.000 0.003 0.000 1.243 50 I HN -0.309 nan 8.210 nan 0.000 0.425 51 V N 4.247 124.151 119.914 -0.016 0.000 2.444 51 V HA 0.335 4.453 4.120 -0.003 0.000 0.294 51 V C -0.031 176.063 176.094 0.000 0.000 1.022 51 V CA -0.716 61.572 62.300 -0.020 0.000 0.850 51 V CB 2.013 33.816 31.823 -0.034 0.000 0.992 51 V HN 0.754 nan 8.190 nan 0.000 0.426 52 E N 3.600 123.806 120.200 0.009 0.000 2.216 52 E HA 0.427 4.775 4.350 -0.003 0.000 0.279 52 E C -0.960 175.657 176.600 0.028 0.000 0.997 52 E CA -0.655 55.762 56.400 0.028 0.000 0.817 52 E CB 1.326 31.047 29.700 0.035 0.000 1.096 52 E HN 0.868 nan 8.360 nan 0.000 0.393 53 D N 2.126 122.549 120.400 0.038 0.000 2.440 53 D HA 0.012 4.651 4.640 -0.003 0.000 0.258 53 D C 1.235 177.569 176.300 0.057 0.000 1.092 53 D CA -0.381 53.647 54.000 0.047 0.000 1.016 53 D CB 0.978 41.806 40.800 0.046 0.000 1.141 53 D HN 0.243 nan 8.370 nan 0.000 0.552 54 V N -2.367 117.590 119.914 0.072 0.000 2.867 54 V HA -0.104 4.014 4.120 -0.003 0.000 0.260 54 V C 0.779 176.898 176.094 0.042 0.000 1.099 54 V CA 1.627 63.962 62.300 0.058 0.000 1.122 54 V CB -0.654 31.207 31.823 0.063 0.000 0.708 54 V HN 0.480 nan 8.190 nan 0.000 0.490 55 D N 0.602 121.028 120.400 0.044 0.000 2.340 55 D HA 0.263 4.902 4.640 -0.003 0.000 0.217 55 D C 1.793 178.121 176.300 0.047 0.000 1.081 55 D CA 0.952 54.974 54.000 0.035 0.000 0.842 55 D CB 0.756 41.571 40.800 0.026 0.000 0.934 55 D HN 0.726 nan 8.370 nan 0.000 0.511 56 G N 1.493 110.329 108.800 0.060 0.000 2.159 56 G HA2 -0.253 3.705 3.960 -0.003 0.000 0.256 56 G HA3 -0.253 3.705 3.960 -0.003 0.000 0.256 56 G C 0.325 175.306 174.900 0.136 0.000 0.977 56 G CA -0.361 44.794 45.100 0.092 0.000 0.652 56 G HN 0.211 nan 8.290 nan 0.000 0.531 57 N N 0.509 119.256 118.700 0.078 0.000 2.508 57 N HA 0.375 5.113 4.740 -0.003 0.000 0.264 57 N C 0.374 175.934 175.510 0.083 0.000 1.216 57 N CA 0.311 53.397 53.050 0.059 0.000 0.943 57 N CB 0.436 38.928 38.487 0.009 0.000 1.113 57 N HN 0.415 nan 8.380 nan 0.000 0.447 58 R N 1.609 122.169 120.500 0.101 0.000 2.409 58 R HA 0.430 4.768 4.340 -0.003 0.000 0.313 58 R C -0.851 175.483 176.300 0.057 0.000 0.953 58 R CA -0.755 55.394 56.100 0.081 0.000 0.849 58 R CB 0.976 31.338 30.300 0.104 0.000 1.171 58 R HN 0.295 nan 8.270 nan 0.000 0.458 59 L N 3.848 125.090 121.223 0.032 0.000 2.325 59 L HA 0.494 4.833 4.340 -0.003 0.000 0.278 59 L C 0.202 177.085 176.870 0.021 0.000 1.023 59 L CA -0.506 54.349 54.840 0.024 0.000 0.811 59 L CB 1.458 43.522 42.059 0.008 0.000 1.249 59 L HN 0.456 nan 8.230 nan 0.000 0.431 60 I N 1.993 122.581 120.570 0.030 0.000 2.471 60 I HA 0.041 4.210 4.170 -0.003 0.000 0.286 60 I C 0.014 176.147 176.117 0.027 0.000 1.079 60 I CA 0.019 61.337 61.300 0.030 0.000 1.398 60 I CB 0.536 38.560 38.000 0.041 0.000 1.403 60 I HN 0.554 nan 8.210 nan 0.000 0.530 61 D N 7.845 128.255 120.400 0.016 0.000 2.441 61 D HA 0.220 4.858 4.640 -0.003 0.000 0.221 61 D C 0.362 176.681 176.300 0.031 0.000 1.156 61 D CA -0.067 53.938 54.000 0.008 0.000 0.896 61 D CB 0.741 41.533 40.800 -0.014 0.000 1.028 61 D HN 0.424 nan 8.370 nan 0.000 0.509 62 L N 2.396 123.648 121.223 0.049 0.000 2.700 62 L HA 0.342 4.681 4.340 -0.003 0.000 0.234 62 L C 1.784 178.684 176.870 0.050 0.000 1.156 62 L CA -0.150 54.744 54.840 0.090 0.000 0.946 62 L CB 0.786 42.945 42.059 0.168 0.000 1.216 62 L HN 0.402 nan 8.230 nan 0.000 0.493 63 G N -0.848 107.961 108.800 0.015 0.000 2.748 63 G HA2 -0.065 3.893 3.960 -0.003 0.000 0.204 63 G HA3 -0.065 3.893 3.960 -0.003 0.000 0.204 63 G C 0.997 175.901 174.900 0.006 0.000 1.095 63 G CA 0.728 45.825 45.100 -0.004 0.000 0.775 63 G HN 0.356 nan 8.290 nan 0.000 0.531 64 S N -0.673 115.027 115.700 0.001 0.000 3.462 64 S HA -0.027 4.442 4.470 -0.003 0.000 0.370 64 S C 1.550 176.141 174.600 -0.015 0.000 1.028 64 S CA 1.087 59.282 58.200 -0.008 0.000 1.119 64 S CB -2.190 61.013 63.200 0.004 0.000 0.906 64 S HN 2.283 nan 8.310 nan 0.000 0.471 65 G N 0.956 109.739 108.800 -0.027 0.000 2.273 65 G HA2 -0.208 3.750 3.960 -0.003 0.000 0.280 65 G HA3 -0.208 3.750 3.960 -0.003 0.000 0.280 65 G C 0.425 175.313 174.900 -0.019 0.000 1.047 65 G CA 0.019 45.099 45.100 -0.032 0.000 0.869 65 G HN 2.074 nan 8.290 nan 0.000 0.502 66 I N -3.787 116.777 120.570 -0.010 0.000 6.431 66 I HA -0.175 3.993 4.170 -0.003 0.000 0.126 66 I C 1.361 177.495 176.117 0.027 0.000 1.825 66 I CA 0.525 61.831 61.300 0.009 0.000 2.040 66 I CB -2.004 35.992 38.000 -0.005 0.000 3.487 66 I HN 2.232 nan 8.210 nan 0.000 0.170 67 A N 0.285 123.126 122.820 0.035 0.000 2.969 67 A HA -0.167 4.151 4.320 -0.003 0.000 0.252 67 A C 0.967 178.562 177.584 0.020 0.000 1.377 67 A CA 1.166 53.225 52.037 0.038 0.000 0.859 67 A CB -1.831 17.198 19.000 0.049 0.000 1.077 67 A HN 0.756 nan 8.150 nan 0.000 0.671 68 V N -0.273 119.644 119.914 0.004 0.000 2.521 68 V HA -0.003 4.115 4.120 -0.003 0.000 0.239 68 V C 1.961 178.040 176.094 -0.026 0.000 1.053 68 V CA 2.071 64.364 62.300 -0.011 0.000 1.073 68 V CB -0.141 31.672 31.823 -0.016 0.000 0.746 68 V HN 1.159 nan 8.190 nan 0.000 0.476 69 T N -1.641 112.897 114.554 -0.027 0.000 3.607 69 T HA 0.054 4.403 4.350 -0.003 0.000 0.225 69 T C 1.136 175.819 174.700 -0.029 0.000 0.904 69 T CA 0.381 62.459 62.100 -0.037 0.000 0.962 69 T CB -0.129 68.710 68.868 -0.048 0.000 1.221 69 T HN 0.325 nan 8.240 nan 0.000 0.641 70 T N 1.673 116.215 114.554 -0.020 0.000 2.759 70 T HA -0.123 4.225 4.350 -0.003 0.000 0.269 70 T C 2.108 176.800 174.700 -0.013 0.000 1.042 70 T CA 1.709 63.803 62.100 -0.009 0.000 1.140 70 T CB -0.341 68.529 68.868 0.002 0.000 0.864 70 T HN 0.686 nan 8.240 nan 0.000 0.455 71 V N -1.130 118.771 119.914 -0.021 0.000 3.573 71 V HA 0.544 4.662 4.120 -0.003 0.000 0.270 71 V C 0.938 177.020 176.094 -0.020 0.000 1.221 71 V CA 0.067 62.358 62.300 -0.016 0.000 1.163 71 V CB -1.474 30.338 31.823 -0.018 0.000 0.847 71 V HN 0.625 nan 8.190 nan 0.000 0.468 72 G N 0.311 109.087 108.800 -0.040 0.000 2.650 72 G HA2 -0.176 3.782 3.960 -0.003 0.000 0.686 72 G HA3 -0.176 3.782 3.960 -0.003 0.000 0.686 72 G C -0.659 174.183 174.900 -0.097 0.000 1.205 72 G CA -0.343 44.709 45.100 -0.079 0.000 0.781 72 G HN 0.450 nan 8.290 nan 0.000 0.648 73 N N 0.326 118.937 118.700 -0.148 0.000 2.458 73 N HA 0.311 5.049 4.740 -0.003 0.000 0.258 73 N C 1.131 176.566 175.510 -0.125 0.000 1.219 73 N CA 1.148 54.119 53.050 -0.131 0.000 0.902 73 N CB 0.523 38.928 38.487 -0.137 0.000 1.076 73 N HN 1.246 nan 8.380 nan 0.000 0.455 74 S N -0.250 115.437 115.700 -0.022 0.000 3.550 74 S HA -0.206 4.262 4.470 -0.003 0.000 0.372 74 S C 0.105 174.821 174.600 0.194 0.000 0.966 74 S CA 0.511 58.755 58.200 0.074 0.000 1.229 74 S CB -1.344 61.927 63.200 0.119 0.000 0.917 74 S HN 0.800 nan 8.310 nan 0.000 0.496 75 A N 1.344 124.222 122.820 0.097 0.000 2.511 75 A HA 0.445 4.763 4.320 -0.003 0.000 0.242 75 A C -0.333 177.302 177.584 0.084 0.000 1.069 75 A CA -0.922 51.183 52.037 0.114 0.000 0.763 75 A CB 0.116 19.141 19.000 0.041 0.000 1.001 75 A HN 0.302 nan 8.150 nan 0.000 0.498 76 P HA -0.164 nan 4.420 nan 0.000 0.215 76 P C 1.114 178.415 177.300 0.001 0.000 1.153 76 P CA 1.566 64.671 63.100 0.009 0.000 0.853 76 P CB 0.075 31.763 31.700 -0.020 0.000 0.788 77 K N -0.621 119.781 120.400 0.004 0.000 2.147 77 K HA -0.067 4.252 4.320 -0.003 0.000 0.205 77 K C 1.979 178.573 176.600 -0.010 0.000 1.049 77 K CA 1.098 57.382 56.287 -0.004 0.000 0.936 77 K CB -0.709 31.790 32.500 -0.003 0.000 0.722 77 K HN 0.025 nan 8.250 nan 0.000 0.446 78 V N 0.891 120.801 119.914 -0.007 0.000 2.307 78 V HA -0.203 3.915 4.120 -0.003 0.000 0.245 78 V C 2.274 178.357 176.094 -0.017 0.000 1.045 78 V CA 1.348 63.638 62.300 -0.018 0.000 1.024 78 V CB -0.251 31.560 31.823 -0.020 0.000 0.651 78 V HN 0.058 nan 8.190 nan 0.000 0.449 79 V N 0.214 120.125 119.914 -0.004 0.000 2.287 79 V HA -0.343 3.775 4.120 -0.003 0.000 0.248 79 V C 2.470 178.553 176.094 -0.018 0.000 1.053 79 V CA 2.513 64.809 62.300 -0.007 0.000 1.027 79 V CB -0.645 31.180 31.823 0.003 0.000 0.646 79 V HN 0.714 nan 8.190 nan 0.000 0.447 80 E N 0.312 120.502 120.200 -0.018 0.000 2.058 80 E HA -0.266 4.082 4.350 -0.003 0.000 0.194 80 E C 2.208 178.792 176.600 -0.027 0.000 0.997 80 E CA 1.655 58.042 56.400 -0.021 0.000 0.801 80 E CB -0.284 29.406 29.700 -0.017 0.000 0.746 80 E HN 0.558 nan 8.360 nan 0.000 0.450 81 A N 0.453 123.256 122.820 -0.029 0.000 1.898 81 A HA -0.118 4.200 4.320 -0.003 0.000 0.216 81 A C 2.428 179.979 177.584 -0.055 0.000 1.181 81 A CA 1.474 53.488 52.037 -0.039 0.000 0.620 81 A CB -0.646 18.332 19.000 -0.036 0.000 0.819 81 A HN 0.240 nan 8.150 nan 0.000 0.442 82 V N 0.001 119.884 119.914 -0.052 0.000 2.295 82 V HA -0.261 3.857 4.120 -0.003 0.000 0.246 82 V C 2.634 178.691 176.094 -0.061 0.000 1.049 82 V CA 2.240 64.502 62.300 -0.062 0.000 1.024 82 V CB -0.818 30.974 31.823 -0.051 0.000 0.648 82 V HN 0.521 nan 8.190 nan 0.000 0.447 83 R N -0.247 120.227 120.500 -0.045 0.000 2.096 83 R HA -0.155 4.183 4.340 -0.003 0.000 0.235 83 R C 2.672 178.945 176.300 -0.044 0.000 1.127 83 R CA 1.658 57.735 56.100 -0.039 0.000 0.968 83 R CB -0.511 29.772 30.300 -0.028 0.000 0.861 83 R HN 0.487 nan 8.270 nan 0.000 0.440 84 S N 0.429 116.102 115.700 -0.046 0.000 2.345 84 S HA -0.192 4.276 4.470 -0.003 0.000 0.220 84 S C 1.969 176.524 174.600 -0.075 0.000 1.031 84 S CA 1.367 59.539 58.200 -0.047 0.000 0.996 84 S CB -0.031 63.147 63.200 -0.038 0.000 0.882 84 S HN 0.204 nan 8.310 nan 0.000 0.445 85 Q N 1.048 120.782 119.800 -0.111 0.000 2.084 85 Q HA -0.029 4.309 4.340 -0.003 0.000 0.202 85 Q C 2.003 177.874 176.000 -0.215 0.000 0.978 85 Q CA 2.004 57.687 55.803 -0.200 0.000 0.844 85 Q CB -1.093 27.501 28.738 -0.240 0.000 0.898 85 Q HN 0.382 nan 8.270 nan 0.000 0.426 86 V N 0.002 119.830 119.914 -0.142 0.000 2.568 86 V HA -0.142 3.977 4.120 -0.003 0.000 0.253 86 V C 1.838 177.893 176.094 -0.065 0.000 1.072 86 V CA 2.193 64.428 62.300 -0.108 0.000 1.084 86 V CB -0.798 30.982 31.823 -0.071 0.000 0.676 86 V HN 0.577 nan 8.190 nan 0.000 0.469 87 G N -1.393 107.377 108.800 -0.050 0.000 2.534 87 G HA2 -0.143 3.815 3.960 -0.003 0.000 0.217 87 G HA3 -0.143 3.815 3.960 -0.003 0.000 0.217 87 G C 1.157 176.064 174.900 0.012 0.000 1.128 87 G CA 0.790 45.881 45.100 -0.014 0.000 0.784 87 G HN 0.562 nan 8.290 nan 0.000 0.542 88 D N -0.371 120.025 120.400 -0.006 0.000 2.414 88 D HA 0.188 4.826 4.640 -0.003 0.000 0.237 88 D C 0.430 176.882 176.300 0.254 0.000 0.975 88 D CA 0.586 54.639 54.000 0.089 0.000 0.917 88 D CB 0.290 41.121 40.800 0.052 0.000 1.061 88 D HN 0.428 nan 8.370 nan 0.000 0.480 89 F N -2.548 117.383 119.950 -0.032 0.000 2.708 89 F HA 0.301 4.827 4.527 -0.003 0.000 0.309 89 F C 0.782 176.557 175.800 -0.042 0.000 1.120 89 F CA -0.789 57.190 58.000 -0.035 0.000 0.978 89 F CB 0.597 39.565 39.000 -0.053 0.000 1.283 89 F HN -0.262 nan 8.300 nan 0.000 0.439 90 T N -2.215 112.413 114.554 0.123 0.000 3.009 90 T HA 0.214 4.563 4.350 -0.003 0.000 0.258 90 T C -0.034 174.769 174.700 0.172 0.000 1.063 90 T CA 1.564 63.699 62.100 0.059 0.000 1.139 90 T CB -0.396 68.521 68.868 0.082 0.000 0.890 90 T HN 1.074 nan 8.240 nan 0.000 0.471 91 H N -0.350 118.834 119.070 0.190 0.000 3.156 91 H HA 0.384 4.938 4.556 -0.003 0.000 0.319 91 H C 0.125 175.577 175.328 0.206 0.000 1.067 91 H CA 0.097 56.261 56.048 0.195 0.000 1.417 91 H CB 1.083 30.958 29.762 0.187 0.000 2.050 91 H HN 0.030 nan 8.280 nan 0.000 0.473 92 T N 1.063 115.463 114.554 -0.257 0.000 3.003 92 T HA 0.154 4.502 4.350 -0.003 0.000 0.261 92 T C 0.406 174.887 174.700 -0.365 0.000 1.003 92 T CA 0.339 62.290 62.100 -0.248 0.000 0.917 92 T CB -0.657 68.102 68.868 -0.181 0.000 1.084 92 T HN 1.042 nan 8.240 nan 0.000 0.522 93 C N 1.609 120.482 119.300 -0.713 0.000 1.695 93 C HA -0.203 4.255 4.460 -0.003 0.000 0.241 93 C C 1.043 176.076 174.990 0.072 0.000 0.721 93 C CA -0.512 58.399 59.018 -0.178 0.000 3.186 93 C CB -2.613 25.125 27.740 -0.003 0.000 1.807 93 C HN 0.680 nan 8.230 nan 0.000 0.272 94 F N 4.615 124.601 119.950 0.061 0.000 2.154 94 F HA -0.121 4.405 4.527 -0.002 0.000 0.301 94 F C 1.990 177.647 175.800 -0.240 0.000 1.087 94 F CA 2.590 60.448 58.000 -0.236 0.000 1.274 94 F CB -0.119 38.520 39.000 -0.602 0.000 1.009 94 F HN 0.738 nan 8.300 nan 0.000 0.485 95 M N -1.206 118.362 119.600 -0.053 0.000 2.460 95 M HA -0.126 4.353 4.480 -0.003 0.000 0.263 95 M C 1.586 177.805 176.300 -0.134 0.000 1.071 95 M CA 0.650 55.895 55.300 -0.091 0.000 1.096 95 M CB -0.309 32.305 32.600 0.023 0.000 1.408 95 M HN 0.066 nan 8.290 nan 0.000 0.463 96 V N -1.170 118.666 119.914 -0.130 0.000 2.543 96 V HA 0.031 4.149 4.120 -0.003 0.000 0.232 96 V C 0.720 176.705 176.094 -0.182 0.000 1.087 96 V CA 0.972 63.203 62.300 -0.117 0.000 1.113 96 V CB 0.274 32.060 31.823 -0.060 0.000 0.779 96 V HN 0.207 nan 8.190 nan 0.000 0.495 97 T N 3.357 117.800 114.554 -0.185 0.000 2.864 97 T HA 0.426 4.774 4.350 -0.003 0.000 0.310 97 T C -2.671 171.876 174.700 -0.255 0.000 1.040 97 T CA -0.953 61.022 62.100 -0.208 0.000 0.977 97 T CB 1.850 70.623 68.868 -0.159 0.000 0.976 97 T HN 0.226 nan 8.240 nan 0.000 0.459 98 P HA 0.353 nan 4.420 nan 0.000 0.275 98 P C -1.337 175.839 177.300 -0.208 0.000 1.266 98 P CA -0.418 62.161 63.100 -0.869 0.000 0.793 98 P CB 0.514 31.480 31.700 -1.222 0.000 1.074 99 Y N -4.299 116.068 120.300 0.111 0.000 2.581 99 Y HA 0.410 4.959 4.550 -0.003 0.000 0.337 99 Y C 1.410 177.510 175.900 0.334 0.000 1.108 99 Y CA -1.097 57.150 58.100 0.245 0.000 1.033 99 Y CB 0.496 39.202 38.460 0.410 0.000 1.318 99 Y HN 0.395 nan 8.280 nan 0.000 0.459 100 E N 1.515 121.944 120.200 0.382 0.000 2.110 100 E HA -0.101 4.247 4.350 -0.003 0.000 0.193 100 E C 1.985 178.746 176.600 0.269 0.000 0.988 100 E CA 1.749 58.306 56.400 0.261 0.000 0.804 100 E CB -0.388 29.430 29.700 0.196 0.000 0.745 100 E HN 1.073 nan 8.360 nan 0.000 0.458 101 G N -0.023 108.998 108.800 0.368 0.000 2.442 101 G HA2 -0.320 3.638 3.960 -0.003 0.000 0.219 101 G HA3 -0.320 3.638 3.960 -0.003 0.000 0.219 101 G C 1.335 176.370 174.900 0.225 0.000 1.141 101 G CA 1.022 46.289 45.100 0.278 0.000 0.763 101 G HN 0.379 nan 8.290 nan 0.000 0.554 102 Y N 1.114 121.472 120.300 0.096 0.000 2.163 102 Y HA -0.089 4.459 4.550 -0.002 0.000 0.288 102 Y C 2.889 178.649 175.900 -0.234 0.000 1.136 102 Y CA 1.403 59.365 58.100 -0.229 0.000 1.147 102 Y CB -0.392 37.588 38.460 -0.800 0.000 0.987 102 Y HN 0.041 nan 8.280 nan 0.000 0.509 103 V N 0.299 120.318 119.914 0.175 0.000 2.343 103 V HA -0.329 3.789 4.120 -0.003 0.000 0.247 103 V C 2.650 178.782 176.094 0.064 0.000 1.051 103 V CA 1.838 64.215 62.300 0.129 0.000 1.036 103 V CB -1.594 30.318 31.823 0.150 0.000 0.654 103 V HN 0.542 nan 8.190 nan 0.000 0.451 104 A N -0.319 122.544 122.820 0.072 0.000 1.902 104 A HA -0.154 4.164 4.320 -0.003 0.000 0.217 104 A C 2.401 179.994 177.584 0.015 0.000 1.181 104 A CA 2.013 54.080 52.037 0.049 0.000 0.623 104 A CB -0.682 18.356 19.000 0.064 0.000 0.818 104 A HN 0.327 nan 8.150 nan 0.000 0.443 105 V N -0.804 119.097 119.914 -0.022 0.000 2.295 105 V HA -0.336 3.783 4.120 -0.003 0.000 0.246 105 V C 2.676 178.731 176.094 -0.065 0.000 1.049 105 V CA 2.112 64.376 62.300 -0.059 0.000 1.024 105 V CB -1.058 30.683 31.823 -0.137 0.000 0.648 105 V HN 0.721 nan 8.190 nan 0.000 0.447 106 C N -0.210 119.025 119.300 -0.108 0.000 2.429 106 C HA -0.163 4.296 4.460 -0.003 0.000 0.277 106 C C 2.668 177.645 174.990 -0.021 0.000 1.262 106 C CA 1.091 60.059 59.018 -0.083 0.000 1.733 106 C CB -1.038 26.656 27.740 -0.077 0.000 2.010 106 C HN 0.632 nan 8.230 nan 0.000 0.483 107 E N 0.031 120.231 120.200 0.001 0.000 2.085 107 E HA -0.239 4.109 4.350 -0.003 0.000 0.194 107 E C 2.379 178.994 176.600 0.025 0.000 0.994 107 E CA 1.112 57.521 56.400 0.016 0.000 0.801 107 E CB -0.167 29.548 29.700 0.026 0.000 0.743 107 E HN 0.626 nan 8.360 nan 0.000 0.453 108 Q N 0.278 120.099 119.800 0.036 0.000 2.083 108 Q HA -0.080 4.258 4.340 -0.003 0.000 0.198 108 Q C 2.434 178.485 176.000 0.084 0.000 0.969 108 Q CA 0.874 56.716 55.803 0.064 0.000 0.838 108 Q CB -0.218 28.569 28.738 0.081 0.000 0.900 108 Q HN 0.363 nan 8.270 nan 0.000 0.436 109 L N 1.174 122.443 121.223 0.077 0.000 2.046 109 L HA -0.223 4.115 4.340 -0.003 0.000 0.208 109 L C 1.972 178.843 176.870 0.001 0.000 1.077 109 L CA 1.010 55.890 54.840 0.067 0.000 0.747 109 L CB -0.488 41.597 42.059 0.042 0.000 0.896 109 L HN 0.207 nan 8.230 nan 0.000 0.432 110 N N -0.120 118.577 118.700 -0.005 0.000 2.166 110 N HA -0.207 4.531 4.740 -0.003 0.000 0.186 110 N C 1.857 177.360 175.510 -0.012 0.000 1.019 110 N CA 1.137 54.175 53.050 -0.020 0.000 0.856 110 N CB -0.334 38.146 38.487 -0.012 0.000 0.993 110 N HN 0.314 nan 8.380 nan 0.000 0.426 111 R N 0.674 121.180 120.500 0.011 0.000 2.075 111 R HA 0.071 4.410 4.340 -0.003 0.000 0.232 111 R C 1.852 178.168 176.300 0.027 0.000 1.126 111 R CA 0.865 56.977 56.100 0.020 0.000 0.963 111 R CB -0.107 30.212 30.300 0.032 0.000 0.858 111 R HN 0.163 nan 8.270 nan 0.000 0.435 112 L N 0.634 121.888 121.223 0.052 0.000 2.446 112 L HA 0.078 4.416 4.340 -0.003 0.000 0.219 112 L C 0.780 177.714 176.870 0.106 0.000 1.116 112 L CA 0.282 55.186 54.840 0.106 0.000 0.844 112 L CB 0.072 42.240 42.059 0.181 0.000 0.970 112 L HN 0.282 nan 8.230 nan 0.000 0.457 113 T N -3.019 111.490 114.554 -0.075 0.000 2.882 113 T HA 0.196 4.544 4.350 -0.003 0.000 0.287 113 T C -1.691 172.901 174.700 -0.180 0.000 1.014 113 T CA -1.606 60.288 62.100 -0.343 0.000 1.049 113 T CB 1.021 69.627 68.868 -0.436 0.000 1.001 113 T HN -0.091 nan 8.240 nan 0.000 0.525 114 P HA 0.141 nan 4.420 nan 0.000 0.249 114 P C 0.171 177.421 177.300 -0.084 0.000 1.229 114 P CA -0.165 62.882 63.100 -0.088 0.000 0.788 114 P CB -0.100 31.569 31.700 -0.052 0.000 1.072 115 V N 1.874 121.722 119.914 -0.110 0.000 2.673 115 V HA 0.009 4.127 4.120 -0.003 0.000 0.303 115 V C 1.237 177.295 176.094 -0.059 0.000 1.046 115 V CA 0.244 62.497 62.300 -0.077 0.000 1.126 115 V CB -0.028 31.745 31.823 -0.083 0.000 0.934 115 V HN 0.097 nan 8.190 nan 0.000 0.487 116 R N 2.447 122.919 120.500 -0.048 0.000 2.573 116 R HA 0.681 5.019 4.340 -0.003 0.000 0.272 116 R C 0.679 176.959 176.300 -0.034 0.000 1.009 116 R CA 0.303 56.380 56.100 -0.038 0.000 1.059 116 R CB 1.440 31.718 30.300 -0.036 0.000 1.112 116 R HN 1.111 nan 8.270 nan 0.000 0.517 117 G N 1.430 110.214 108.800 -0.026 0.000 2.584 117 G HA2 -0.272 3.687 3.960 -0.003 0.000 0.229 117 G HA3 -0.272 3.687 3.960 -0.003 0.000 0.229 117 G C -1.007 173.880 174.900 -0.021 0.000 1.320 117 G CA -0.234 44.853 45.100 -0.022 0.000 0.891 117 G HN 0.641 nan 8.290 nan 0.000 0.573 118 D N 1.017 121.406 120.400 -0.018 0.000 2.390 118 D HA 0.541 5.179 4.640 -0.003 0.000 0.249 118 D C 0.450 176.737 176.300 -0.023 0.000 1.144 118 D CA 0.503 54.494 54.000 -0.016 0.000 0.880 118 D CB 0.411 41.205 40.800 -0.010 0.000 1.182 118 D HN 0.533 nan 8.370 nan 0.000 0.451 119 K N 2.834 123.221 120.400 -0.021 0.000 2.395 119 K HA 0.625 4.944 4.320 -0.003 0.000 0.247 119 K C -0.332 176.256 176.600 -0.020 0.000 0.973 119 K CA -1.037 55.233 56.287 -0.028 0.000 0.828 119 K CB 1.982 34.461 32.500 -0.036 0.000 1.272 119 K HN 0.253 nan 8.250 nan 0.000 0.439 120 R N 0.318 120.804 120.500 -0.023 0.000 2.836 120 R HA 0.571 4.909 4.340 -0.003 0.000 0.269 120 R C -0.925 175.364 176.300 -0.019 0.000 1.010 120 R CA -0.878 55.214 56.100 -0.013 0.000 0.930 120 R CB 2.097 32.395 30.300 -0.004 0.000 1.218 120 R HN 0.645 nan 8.270 nan 0.000 0.473 121 S N -0.431 115.258 115.700 -0.019 0.000 2.667 121 S HA 0.907 5.376 4.470 -0.003 0.000 0.292 121 S C -1.257 173.316 174.600 -0.044 0.000 1.126 121 S CA -0.686 57.493 58.200 -0.036 0.000 0.881 121 S CB 2.417 65.577 63.200 -0.067 0.000 1.132 121 S HN 0.716 nan 8.310 nan 0.000 0.492 122 A N 1.221 123.990 122.820 -0.085 0.000 2.549 122 A HA 0.829 5.147 4.320 -0.003 0.000 0.297 122 A C -1.777 175.467 177.584 -0.566 0.000 1.061 122 A CA -0.625 51.281 52.037 -0.218 0.000 0.690 122 A CB 0.939 19.899 19.000 -0.066 0.000 1.287 122 A HN 0.666 nan 8.150 nan 0.000 0.402 123 L N 1.143 121.825 121.223 -0.903 0.000 2.346 123 L HA 0.793 5.131 4.340 -0.003 0.000 0.274 123 L C -0.959 175.234 176.870 -1.128 0.000 1.007 123 L CA -0.366 53.938 54.840 -0.894 0.000 0.818 123 L CB 1.604 43.087 42.059 -0.961 0.000 1.284 123 L HN 0.795 nan 8.230 nan 0.000 0.424 124 F N -0.440 119.506 119.950 -0.008 0.000 3.012 124 F HA 0.473 4.999 4.527 -0.003 0.000 0.346 124 F C 0.996 176.829 175.800 0.055 0.000 1.239 124 F CA -0.819 57.214 58.000 0.055 0.000 1.028 124 F CB 0.554 39.583 39.000 0.048 0.000 1.497 124 F HN 0.296 nan 8.300 nan 0.000 0.521 125 N N -0.393 118.477 118.700 0.284 0.000 2.511 125 N HA 0.056 4.794 4.740 -0.003 0.000 0.190 125 N C 0.121 175.706 175.510 0.124 0.000 1.037 125 N CA 0.789 53.939 53.050 0.167 0.000 0.895 125 N CB 0.044 38.638 38.487 0.177 0.000 1.149 125 N HN 0.476 nan 8.380 nan 0.000 0.437 126 S N -0.781 114.996 115.700 0.130 0.000 2.681 126 S HA 0.579 5.047 4.470 -0.003 0.000 0.299 126 S C 1.257 175.910 174.600 0.088 0.000 1.113 126 S CA -0.371 57.883 58.200 0.089 0.000 1.013 126 S CB 1.863 65.106 63.200 0.072 0.000 1.076 126 S HN 0.198 nan 8.310 nan 0.000 0.534 127 G N 1.204 110.049 108.800 0.075 0.000 2.440 127 G HA2 -0.209 3.750 3.960 -0.003 0.000 0.218 127 G HA3 -0.209 3.750 3.960 -0.003 0.000 0.218 127 G C 1.594 176.516 174.900 0.037 0.000 1.154 127 G CA 1.131 46.274 45.100 0.072 0.000 0.767 127 G HN 1.053 nan 8.290 nan 0.000 0.552 128 S N 0.722 116.433 115.700 0.019 0.000 2.368 128 S HA -0.097 4.371 4.470 -0.003 0.000 0.225 128 S C 1.962 176.532 174.600 -0.051 0.000 1.030 128 S CA 1.612 59.798 58.200 -0.023 0.000 0.999 128 S CB -0.423 62.763 63.200 -0.023 0.000 0.844 128 S HN 0.574 nan 8.310 nan 0.000 0.459 129 E N 1.866 122.044 120.200 -0.036 0.000 2.085 129 E HA -0.100 4.248 4.350 -0.003 0.000 0.194 129 E C 2.446 178.891 176.600 -0.259 0.000 0.994 129 E CA 1.144 57.476 56.400 -0.115 0.000 0.801 129 E CB -0.443 29.243 29.700 -0.024 0.000 0.743 129 E HN 0.716 nan 8.360 nan 0.000 0.453 130 A N 0.837 123.594 122.820 -0.105 0.000 1.898 130 A HA -0.126 4.193 4.320 -0.003 0.000 0.216 130 A C 2.498 180.014 177.584 -0.113 0.000 1.181 130 A CA 1.048 53.038 52.037 -0.078 0.000 0.620 130 A CB -0.577 18.508 19.000 0.141 0.000 0.819 130 A HN 0.109 nan 8.150 nan 0.000 0.442 131 V N 0.451 120.319 119.914 -0.076 0.000 2.287 131 V HA -0.263 3.856 4.120 -0.003 0.000 0.248 131 V C 2.510 178.520 176.094 -0.139 0.000 1.053 131 V CA 2.166 64.412 62.300 -0.091 0.000 1.027 131 V CB -0.820 30.961 31.823 -0.071 0.000 0.646 131 V HN 0.555 nan 8.190 nan 0.000 0.447 132 E N 0.294 120.399 120.200 -0.158 0.000 2.070 132 E HA -0.242 4.106 4.350 -0.003 0.000 0.197 132 E C 2.111 178.588 176.600 -0.206 0.000 1.004 132 E CA 1.466 57.766 56.400 -0.167 0.000 0.805 132 E CB -0.407 29.193 29.700 -0.166 0.000 0.744 132 E HN 0.637 nan 8.360 nan 0.000 0.451 133 N N 0.372 118.875 118.700 -0.328 0.000 2.216 133 N HA -0.084 4.654 4.740 -0.003 0.000 0.183 133 N C 1.847 177.261 175.510 -0.160 0.000 1.017 133 N CA 0.980 53.822 53.050 -0.348 0.000 0.861 133 N CB -0.045 37.956 38.487 -0.810 0.000 0.986 133 N HN 0.084 nan 8.380 nan 0.000 0.428 134 A N 0.962 123.709 122.820 -0.122 0.000 1.933 134 A HA -0.075 4.243 4.320 -0.003 0.000 0.218 134 A C 2.509 180.049 177.584 -0.072 0.000 1.175 134 A CA 1.101 53.097 52.037 -0.068 0.000 0.628 134 A CB -0.649 18.315 19.000 -0.060 0.000 0.814 134 A HN 0.090 nan 8.150 nan 0.000 0.444 135 V N 0.023 119.881 119.914 -0.092 0.000 2.307 135 V HA -0.269 3.849 4.120 -0.003 0.000 0.245 135 V C 2.436 178.496 176.094 -0.057 0.000 1.045 135 V CA 2.343 64.598 62.300 -0.075 0.000 1.024 135 V CB -0.669 31.102 31.823 -0.086 0.000 0.651 135 V HN 0.554 nan 8.190 nan 0.000 0.449 136 K N -0.176 120.183 120.400 -0.068 0.000 2.063 136 K HA -0.174 4.144 4.320 -0.003 0.000 0.208 136 K C 2.017 178.593 176.600 -0.040 0.000 1.048 136 K CA 1.800 58.056 56.287 -0.053 0.000 0.928 136 K CB -0.355 32.104 32.500 -0.069 0.000 0.713 136 K HN 0.384 nan 8.250 nan 0.000 0.442 137 I N 0.714 121.261 120.570 -0.038 0.000 2.252 137 I HA -0.275 3.893 4.170 -0.003 0.000 0.245 137 I C 2.468 178.583 176.117 -0.004 0.000 1.102 137 I CA 1.111 62.398 61.300 -0.021 0.000 1.385 137 I CB -0.298 37.692 38.000 -0.017 0.000 1.064 137 I HN 0.172 nan 8.210 nan 0.000 0.414 138 A N 0.699 123.514 122.820 -0.008 0.000 1.902 138 A HA -0.193 4.125 4.320 -0.003 0.000 0.217 138 A C 2.384 179.978 177.584 0.017 0.000 1.181 138 A CA 1.464 53.513 52.037 0.020 0.000 0.623 138 A CB -0.523 18.480 19.000 0.004 0.000 0.818 138 A HN 0.294 nan 8.150 nan 0.000 0.443 139 R N -0.813 119.678 120.500 -0.015 0.000 2.075 139 R HA -0.085 4.253 4.340 -0.003 0.000 0.232 139 R C 2.668 178.906 176.300 -0.102 0.000 1.126 139 R CA 1.413 57.493 56.100 -0.033 0.000 0.963 139 R CB -0.421 29.868 30.300 -0.018 0.000 0.858 139 R HN 0.544 nan 8.270 nan 0.000 0.435 140 S N 0.026 115.671 115.700 -0.091 0.000 2.359 140 S HA -0.238 4.230 4.470 -0.003 0.000 0.224 140 S C 1.920 176.328 174.600 -0.320 0.000 1.035 140 S CA 1.686 59.792 58.200 -0.156 0.000 1.018 140 S CB -0.242 62.928 63.200 -0.051 0.000 0.876 140 S HN 0.469 nan 8.310 nan 0.000 0.448 141 H N 0.634 119.564 119.070 -0.233 0.000 2.326 141 H HA -0.029 4.526 4.556 -0.003 0.000 0.301 141 H C 2.329 177.532 175.328 -0.207 0.000 1.081 141 H CA 2.502 58.440 56.048 -0.184 0.000 1.334 141 H CB -0.560 29.156 29.762 -0.077 0.000 1.385 141 H HN 0.578 nan 8.280 nan 0.000 0.504 142 T N -3.220 111.205 114.554 -0.215 0.000 3.051 142 T HA -0.029 4.319 4.350 -0.003 0.000 0.255 142 T C 0.428 175.107 174.700 -0.034 0.000 1.085 142 T CA 0.533 62.551 62.100 -0.138 0.000 1.109 142 T CB -0.134 68.729 68.868 -0.008 0.000 0.921 142 T HN 0.663 nan 8.240 nan 0.000 0.488 143 H N 1.059 120.111 119.070 -0.031 0.000 2.861 143 H HA -0.100 4.454 4.556 -0.003 0.000 0.289 143 H C -0.393 174.932 175.328 -0.005 0.000 1.176 143 H CA 0.960 57.000 56.048 -0.014 0.000 1.146 143 H CB -1.864 27.881 29.762 -0.027 0.000 1.330 143 H HN 0.553 nan 8.280 nan 0.000 0.379 144 K N 0.644 121.078 120.400 0.056 0.000 2.259 144 K HA 0.248 4.566 4.320 -0.003 0.000 0.249 144 K C -1.625 175.000 176.600 0.041 0.000 0.942 144 K CA -1.589 54.727 56.287 0.048 0.000 0.816 144 K CB 2.283 34.806 32.500 0.037 0.000 1.155 144 K HN -0.087 nan 8.250 nan 0.000 0.428 145 P HA 0.009 nan 4.420 nan 0.000 0.221 145 P C -0.048 177.293 177.300 0.068 0.000 1.152 145 P CA 0.422 63.555 63.100 0.054 0.000 0.851 145 P CB 0.398 32.136 31.700 0.063 0.000 0.833 146 A N 0.599 123.470 122.820 0.086 0.000 2.351 146 A HA 0.478 4.796 4.320 -0.003 0.000 0.257 146 A C -0.132 177.510 177.584 0.097 0.000 1.087 146 A CA -0.094 52.027 52.037 0.140 0.000 0.798 146 A CB 0.372 19.450 19.000 0.130 0.000 1.033 146 A HN -0.015 nan 8.150 nan 0.000 0.488 147 V N 1.859 121.843 119.914 0.116 0.000 2.709 147 V HA 0.527 4.645 4.120 -0.003 0.000 0.308 147 V C -0.492 175.635 176.094 0.056 0.000 1.062 147 V CA -0.636 61.690 62.300 0.044 0.000 0.901 147 V CB 1.630 33.444 31.823 -0.015 0.000 1.003 147 V HN 0.811 nan 8.190 nan 0.000 0.425 148 V N 4.066 123.972 119.914 -0.013 0.000 2.459 148 V HA 0.962 5.080 4.120 -0.003 0.000 0.295 148 V C 0.126 176.118 176.094 -0.171 0.000 1.029 148 V CA 0.186 62.434 62.300 -0.087 0.000 0.874 148 V CB 1.448 33.178 31.823 -0.155 0.000 0.985 148 V HN 1.205 nan 8.190 nan 0.000 0.438 149 A N 5.555 128.255 122.820 -0.200 0.000 2.437 149 A HA 0.961 5.280 4.320 -0.003 0.000 0.288 149 A C -1.353 176.070 177.584 -0.269 0.000 1.201 149 A CA -0.643 51.336 52.037 -0.098 0.000 0.795 149 A CB 1.399 20.408 19.000 0.015 0.000 1.359 149 A HN 0.722 nan 8.150 nan 0.000 0.435 150 F N -0.194 119.815 119.950 0.099 0.000 2.523 150 F HA 0.404 4.930 4.527 -0.002 0.000 0.329 150 F C 0.527 176.362 175.800 0.058 0.000 1.061 150 F CA -0.321 57.740 58.000 0.101 0.000 0.967 150 F CB 1.108 40.205 39.000 0.162 0.000 1.218 150 F HN 0.605 nan 8.300 nan 0.000 0.480 151 D N 0.897 121.419 120.400 0.203 0.000 2.478 151 D HA -0.022 4.617 4.640 -0.003 0.000 0.234 151 D C 0.620 176.946 176.300 0.044 0.000 1.154 151 D CA 1.189 55.185 54.000 -0.007 0.000 0.874 151 D CB 0.138 40.902 40.800 -0.061 0.000 1.198 151 D HN 0.617 nan 8.370 nan 0.000 0.455 152 H N -1.023 118.099 119.070 0.086 0.000 3.395 152 H HA -0.196 4.359 4.556 -0.002 0.000 0.222 152 H C 0.106 175.454 175.328 0.033 0.000 1.099 152 H CA 0.921 56.990 56.048 0.035 0.000 1.182 152 H CB -1.981 27.771 29.762 -0.016 0.000 1.188 152 H HN 0.431 nan 8.280 nan 0.000 0.317 153 A N 0.371 123.261 122.820 0.117 0.000 2.371 153 A HA 0.491 4.809 4.320 -0.003 0.000 0.257 153 A C -0.390 177.152 177.584 -0.069 0.000 1.089 153 A CA -0.157 51.895 52.037 0.024 0.000 0.794 153 A CB 0.627 19.718 19.000 0.152 0.000 1.029 153 A HN 0.334 nan 8.150 nan 0.000 0.488 154 Y N 1.121 121.169 120.300 -0.421 0.000 2.386 154 Y HA 0.521 5.069 4.550 -0.003 0.000 0.334 154 Y C 0.144 175.652 175.900 -0.653 0.000 1.002 154 Y CA -0.541 57.297 58.100 -0.438 0.000 1.068 154 Y CB 1.480 39.725 38.460 -0.358 0.000 1.203 154 Y HN 0.794 nan 8.280 nan 0.000 0.443 155 H N 3.411 121.962 119.070 -0.864 0.000 3.680 155 H HA 0.458 5.012 4.556 -0.003 0.000 0.260 155 H C 0.579 175.554 175.328 -0.589 0.000 1.183 155 H CA 0.441 56.178 56.048 -0.519 0.000 1.159 155 H CB 1.434 31.032 29.762 -0.274 0.000 1.567 155 H HN 0.872 nan 8.280 nan 0.000 0.648 156 G N 0.714 108.946 108.800 -0.946 0.000 2.346 156 G HA2 -0.033 3.926 3.960 -0.003 0.000 0.294 156 G HA3 -0.033 3.926 3.960 -0.003 0.000 0.294 156 G C -0.446 174.286 174.900 -0.279 0.000 1.294 156 G CA -0.875 43.942 45.100 -0.471 0.000 0.962 156 G HN 0.112 nan 8.290 nan 0.000 0.508 157 R N -0.166 120.292 120.500 -0.069 0.000 2.543 157 R HA 0.271 4.609 4.340 -0.003 0.000 0.323 157 R C 1.150 177.448 176.300 -0.004 0.000 1.002 157 R CA 0.548 56.653 56.100 0.009 0.000 1.106 157 R CB 0.847 31.186 30.300 0.066 0.000 1.280 157 R HN 0.796 nan 8.270 nan 0.000 0.549 158 T N -2.120 112.425 114.554 -0.014 0.000 2.816 158 T HA 0.049 4.397 4.350 -0.003 0.000 0.282 158 T C 1.182 175.911 174.700 0.048 0.000 0.993 158 T CA -0.658 61.442 62.100 -0.000 0.000 0.994 158 T CB 1.257 70.116 68.868 -0.014 0.000 1.025 158 T HN -0.070 nan 8.240 nan 0.000 0.529 159 N N -0.092 118.649 118.700 0.069 0.000 2.069 159 N HA -0.132 4.607 4.740 -0.003 0.000 0.191 159 N C 1.826 177.438 175.510 0.171 0.000 1.031 159 N CA 1.743 54.890 53.050 0.161 0.000 0.852 159 N CB -0.467 38.076 38.487 0.093 0.000 1.018 159 N HN 0.708 nan 8.380 nan 0.000 0.423 160 L N 0.804 122.067 121.223 0.067 0.000 2.109 160 L HA -0.089 4.249 4.340 -0.003 0.000 0.207 160 L C 2.419 179.275 176.870 -0.023 0.000 1.086 160 L CA 1.787 56.642 54.840 0.024 0.000 0.760 160 L CB -0.612 41.439 42.059 -0.013 0.000 0.910 160 L HN 0.322 nan 8.230 nan 0.000 0.437 161 T N -3.388 111.141 114.554 -0.041 0.000 2.985 161 T HA -0.135 4.213 4.350 -0.003 0.000 0.266 161 T C 1.836 176.460 174.700 -0.125 0.000 1.076 161 T CA 1.094 63.139 62.100 -0.091 0.000 1.135 161 T CB -0.328 68.473 68.868 -0.112 0.000 0.890 161 T HN 0.284 nan 8.240 nan 0.000 0.480 162 M N 1.332 120.891 119.600 -0.068 0.000 2.086 162 M HA 0.008 4.486 4.480 -0.003 0.000 0.261 162 M C 2.988 179.121 176.300 -0.278 0.000 1.067 162 M CA 1.826 57.066 55.300 -0.099 0.000 1.116 162 M CB -0.662 32.008 32.600 0.116 0.000 1.348 162 M HN 0.487 nan 8.290 nan 0.000 0.407 163 A N 0.626 123.316 122.820 -0.218 0.000 1.892 163 A HA -0.191 4.127 4.320 -0.003 0.000 0.218 163 A C 2.052 179.526 177.584 -0.183 0.000 1.188 163 A CA 1.687 53.575 52.037 -0.248 0.000 0.631 163 A CB -1.085 17.883 19.000 -0.053 0.000 0.822 163 A HN 0.492 nan 8.150 nan 0.000 0.447 164 L N -0.422 120.729 121.223 -0.120 0.000 2.201 164 L HA -0.054 4.284 4.340 -0.003 0.000 0.212 164 L C 0.781 177.667 176.870 0.028 0.000 1.105 164 L CA 0.477 55.280 54.840 -0.061 0.000 0.775 164 L CB -0.714 41.281 42.059 -0.107 0.000 0.913 164 L HN 0.203 nan 8.230 nan 0.000 0.440 165 T N -0.170 114.341 114.554 -0.071 0.000 2.901 165 T HA 0.231 4.579 4.350 -0.003 0.000 0.301 165 T C 1.082 175.748 174.700 -0.057 0.000 1.012 165 T CA 0.267 62.307 62.100 -0.100 0.000 1.135 165 T CB 1.924 70.656 68.868 -0.227 0.000 0.936 165 T HN 0.247 nan 8.240 nan 0.000 0.539 166 A N 3.612 126.428 122.820 -0.006 0.000 1.878 166 A HA 0.119 4.437 4.320 -0.003 0.000 0.213 166 A C 1.203 178.788 177.584 0.002 0.000 1.192 166 A CA 0.785 52.809 52.037 -0.022 0.000 0.619 166 A CB -0.068 18.909 19.000 -0.039 0.000 0.837 166 A HN 0.671 nan 8.150 nan 0.000 0.446 167 K N 0.420 120.878 120.400 0.096 0.000 2.276 167 K HA 0.389 4.707 4.320 -0.003 0.000 0.283 167 K C 0.505 177.197 176.600 0.153 0.000 1.044 167 K CA -0.275 56.084 56.287 0.119 0.000 0.944 167 K CB 1.249 33.859 32.500 0.184 0.000 1.012 167 K HN 0.022 nan 8.250 nan 0.000 0.472 168 V N 4.120 124.064 119.914 0.049 0.000 2.535 168 V HA -0.054 4.064 4.120 -0.003 0.000 0.246 168 V C 1.139 177.232 176.094 -0.002 0.000 1.045 168 V CA 0.920 63.240 62.300 0.034 0.000 1.058 168 V CB -0.092 31.732 31.823 0.002 0.000 0.689 168 V HN 0.790 nan 8.190 nan 0.000 0.461 169 M N 2.572 122.134 119.600 -0.063 0.000 2.080 169 M HA 0.316 4.794 4.480 -0.003 0.000 0.350 169 M C -2.171 173.940 176.300 -0.316 0.000 1.173 169 M CA -1.987 53.233 55.300 -0.134 0.000 1.052 169 M CB 1.415 33.960 32.600 -0.092 0.000 1.577 169 M HN 0.028 nan 8.290 nan 0.000 0.455 170 P HA 0.101 nan 4.420 nan 0.000 0.275 170 P C 0.246 177.535 177.300 -0.018 0.000 1.310 170 P CA 0.403 63.371 63.100 -0.220 0.000 0.904 170 P CB 0.090 31.679 31.700 -0.186 0.000 1.381 171 Y N 1.620 122.036 120.300 0.193 0.000 2.293 171 Y HA -0.002 4.546 4.550 -0.003 0.000 0.291 171 Y C 2.129 178.260 175.900 0.385 0.000 1.137 171 Y CA 1.140 59.403 58.100 0.272 0.000 1.202 171 Y CB -0.571 38.035 38.460 0.244 0.000 0.990 171 Y HN -0.001 nan 8.280 nan 0.000 0.537 172 K N -0.990 119.655 120.400 0.410 0.000 2.450 172 K HA 0.070 4.388 4.320 -0.003 0.000 0.206 172 K C -0.235 176.499 176.600 0.222 0.000 1.148 172 K CA -0.010 56.538 56.287 0.435 0.000 1.014 172 K CB 0.463 33.014 32.500 0.084 0.000 0.966 172 K HN -0.034 nan 8.250 nan 0.000 0.566 173 D N 1.089 121.407 120.400 -0.136 0.000 2.434 173 D HA 0.077 4.716 4.640 -0.003 0.000 0.252 173 D C 1.030 176.913 176.300 -0.694 0.000 1.185 173 D CA 1.540 55.362 54.000 -0.298 0.000 0.886 173 D CB 0.483 41.143 40.800 -0.233 0.000 1.148 173 D HN 0.395 nan 8.370 nan 0.000 0.483 174 G N 3.199 111.790 108.800 -0.349 0.000 2.168 174 G HA2 -0.323 3.635 3.960 -0.003 0.000 0.263 174 G HA3 -0.323 3.635 3.960 -0.003 0.000 0.263 174 G C 0.658 175.422 174.900 -0.226 0.000 0.977 174 G CA 0.418 45.333 45.100 -0.308 0.000 0.659 174 G HN 0.471 nan 8.290 nan 0.000 0.533 175 F N 1.376 121.356 119.950 0.050 0.000 2.695 175 F HA 0.453 4.978 4.527 -0.003 0.000 0.303 175 F C 1.927 177.511 175.800 -0.360 0.000 1.091 175 F CA -0.535 57.447 58.000 -0.031 0.000 1.300 175 F CB -0.121 38.956 39.000 0.129 0.000 1.071 175 F HN 0.318 nan 8.300 nan 0.000 0.578 176 G N 0.728 109.191 108.800 -0.562 0.000 2.510 176 G HA2 0.428 4.386 3.960 -0.003 0.000 0.280 176 G HA3 0.428 4.386 3.960 -0.003 0.000 0.280 176 G C -2.005 172.614 174.900 -0.467 0.000 1.386 176 G CA -0.834 43.567 45.100 -1.166 0.000 1.047 176 G HN -0.056 nan 8.290 nan 0.000 0.527 177 P HA 0.332 nan 4.420 nan 0.000 0.272 177 P C -1.235 175.781 177.300 -0.473 0.000 1.223 177 P CA -0.147 62.717 63.100 -0.393 0.000 0.784 177 P CB 0.762 32.371 31.700 -0.151 0.000 0.923 178 F N 0.194 120.146 119.950 0.003 0.000 2.399 178 F HA 0.465 4.991 4.527 -0.002 0.000 0.328 178 F C 1.201 176.986 175.800 -0.024 0.000 1.084 178 F CA -0.849 57.149 58.000 -0.004 0.000 1.053 178 F CB 0.400 39.397 39.000 -0.006 0.000 1.209 178 F HN 0.360 nan 8.300 nan 0.000 0.502 179 A N 3.510 126.433 122.820 0.172 0.000 2.598 179 A HA 0.218 4.536 4.320 -0.003 0.000 0.239 179 A C -2.147 175.460 177.584 0.039 0.000 1.032 179 A CA -0.751 51.330 52.037 0.073 0.000 0.760 179 A CB -1.111 17.922 19.000 0.055 0.000 0.946 179 A HN 0.440 nan 8.150 nan 0.000 0.512 180 P HA 0.301 nan 4.420 nan 0.000 0.276 180 P C -0.307 176.970 177.300 -0.039 0.000 1.261 180 P CA -0.159 62.927 63.100 -0.022 0.000 0.800 180 P CB 0.455 32.152 31.700 -0.005 0.000 1.066 181 E N -1.428 118.719 120.200 -0.089 0.000 2.637 181 E HA -0.135 4.213 4.350 -0.003 0.000 0.265 181 E C -0.333 176.245 176.600 -0.036 0.000 1.073 181 E CA 0.828 57.217 56.400 -0.019 0.000 0.778 181 E CB -1.706 28.066 29.700 0.120 0.000 1.362 181 E HN 0.351 nan 8.360 nan 0.000 0.413 182 I N 0.886 121.314 120.570 -0.237 0.000 2.354 182 I HA 0.338 4.506 4.170 -0.003 0.000 0.292 182 I C 0.507 176.399 176.117 -0.374 0.000 0.989 182 I CA -0.575 60.625 61.300 -0.167 0.000 1.188 182 I CB 0.537 38.464 38.000 -0.120 0.000 1.342 182 I HN -0.096 nan 8.210 nan 0.000 0.457 183 Y N 4.407 124.658 120.300 -0.083 0.000 2.562 183 Y HA 0.650 5.198 4.550 -0.003 0.000 0.343 183 Y C 0.244 176.054 175.900 -0.149 0.000 1.025 183 Y CA -1.032 57.008 58.100 -0.100 0.000 1.082 183 Y CB 1.893 40.295 38.460 -0.097 0.000 1.264 183 Y HN 0.432 nan 8.280 nan 0.000 0.478 184 R N 1.251 121.755 120.500 0.007 0.000 2.494 184 R HA 0.855 5.193 4.340 -0.003 0.000 0.305 184 R C -1.569 174.642 176.300 -0.147 0.000 0.959 184 R CA -0.463 55.578 56.100 -0.098 0.000 0.864 184 R CB 1.213 31.473 30.300 -0.066 0.000 1.159 184 R HN 0.787 nan 8.270 nan 0.000 0.446 185 A N 5.351 127.983 122.820 -0.313 0.000 2.384 185 A HA 0.783 5.101 4.320 -0.003 0.000 0.312 185 A C -2.574 174.992 177.584 -0.031 0.000 1.113 185 A CA -2.022 49.846 52.037 -0.283 0.000 0.779 185 A CB 1.253 19.898 19.000 -0.591 0.000 1.307 185 A HN 0.673 nan 8.150 nan 0.000 0.436 186 P HA 0.349 nan 4.420 nan 0.000 0.275 186 P C -0.929 176.649 177.300 0.464 0.000 1.228 186 P CA -0.092 63.145 63.100 0.227 0.000 0.786 186 P CB 0.947 32.727 31.700 0.134 0.000 0.927 187 L N 2.002 123.450 121.223 0.375 0.000 2.331 187 L HA 0.434 4.773 4.340 -0.003 0.000 0.275 187 L C 0.289 177.104 176.870 -0.091 0.000 1.022 187 L CA -0.536 54.446 54.840 0.236 0.000 0.812 187 L CB 1.800 44.037 42.059 0.297 0.000 1.257 187 L HN 0.308 nan 8.230 nan 0.000 0.435 188 S N 3.470 118.737 115.700 -0.722 0.000 2.465 188 S HA 0.208 4.676 4.470 -0.003 0.000 0.280 188 S C -0.962 173.533 174.600 -0.175 0.000 1.232 188 S CA -0.021 57.844 58.200 -0.557 0.000 1.066 188 S CB -0.265 62.339 63.200 -0.993 0.000 0.929 188 S HN 0.499 nan 8.310 nan 0.000 0.494 189 Y N 7.854 128.074 120.300 -0.133 0.000 2.628 189 Y HA 0.416 4.964 4.550 -0.004 0.000 0.354 189 Y C -2.637 173.272 175.900 0.015 0.000 1.061 189 Y CA -2.644 55.425 58.100 -0.052 0.000 1.251 189 Y CB 0.997 39.433 38.460 -0.040 0.000 1.098 189 Y HN 0.442 nan 8.280 nan 0.000 0.626 190 P HA -0.242 nan 4.420 nan 0.000 0.216 190 P C 1.719 179.101 177.300 0.137 0.000 1.157 190 P CA 1.683 64.874 63.100 0.151 0.000 0.880 190 P CB -0.025 31.761 31.700 0.143 0.000 0.791 191 F N 0.599 120.578 119.950 0.048 0.000 2.126 191 F HA -0.192 4.334 4.527 -0.003 0.000 0.299 191 F C 2.020 177.696 175.800 -0.207 0.000 1.096 191 F CA 1.673 59.644 58.000 -0.048 0.000 1.255 191 F CB -0.402 38.624 39.000 0.042 0.000 0.997 191 F HN -0.220 nan 8.300 nan 0.000 0.479 192 R N -0.401 119.737 120.500 -0.604 0.000 2.210 192 R HA -0.027 4.311 4.340 -0.003 0.000 0.203 192 R C 1.596 177.752 176.300 -0.241 0.000 1.010 192 R CA 0.869 56.587 56.100 -0.637 0.000 1.008 192 R CB -0.307 29.511 30.300 -0.803 0.000 0.923 192 R HN 0.243 nan 8.270 nan 0.000 0.469 193 D N 1.265 121.605 120.400 -0.100 0.000 2.219 193 D HA -0.062 4.577 4.640 -0.003 0.000 0.205 193 D C 1.736 178.087 176.300 0.086 0.000 0.970 193 D CA 1.001 55.066 54.000 0.108 0.000 0.851 193 D CB -0.032 40.814 40.800 0.077 0.000 0.943 193 D HN 0.177 nan 8.370 nan 0.000 0.488 194 A N 1.070 123.856 122.820 -0.057 0.000 2.024 194 A HA -0.192 4.127 4.320 -0.003 0.000 0.220 194 A C 2.261 179.751 177.584 -0.157 0.000 1.164 194 A CA 2.267 54.258 52.037 -0.077 0.000 0.643 194 A CB -0.886 18.062 19.000 -0.086 0.000 0.806 194 A HN 0.322 nan 8.150 nan 0.000 0.451 195 E N -1.117 118.892 120.200 -0.318 0.000 2.209 195 E HA -0.141 4.207 4.350 -0.003 0.000 0.196 195 E C 1.309 177.552 176.600 -0.594 0.000 0.993 195 E CA 1.479 57.556 56.400 -0.539 0.000 0.819 195 E CB -0.907 28.299 29.700 -0.823 0.000 0.745 195 E HN 0.785 nan 8.360 nan 0.000 0.477 196 F N -0.736 119.167 119.950 -0.078 0.000 2.653 196 F HA 0.523 5.048 4.527 -0.003 0.000 0.304 196 F C 1.110 176.890 175.800 -0.033 0.000 1.092 196 F CA 0.490 58.461 58.000 -0.049 0.000 1.279 196 F CB 1.319 40.294 39.000 -0.040 0.000 1.044 196 F HN 0.368 nan 8.300 nan 0.000 0.564 197 G N -0.245 108.597 108.800 0.071 0.000 2.326 197 G HA2 0.289 4.247 3.960 -0.003 0.000 0.299 197 G HA3 0.289 4.247 3.960 -0.003 0.000 0.299 197 G C 0.263 175.183 174.900 0.033 0.000 1.643 197 G CA -0.408 44.721 45.100 0.048 0.000 0.916 197 G HN 0.082 nan 8.290 nan 0.000 0.700 198 K N -0.445 119.965 120.400 0.017 0.000 2.280 198 K HA 0.291 4.610 4.320 -0.003 0.000 0.202 198 K C 2.371 178.990 176.600 0.032 0.000 1.047 198 K CA 2.734 59.032 56.287 0.019 0.000 0.942 198 K CB -1.021 31.487 32.500 0.013 0.000 0.739 198 K HN 1.666 nan 8.250 nan 0.000 0.457 199 E N 0.210 120.432 120.200 0.037 0.000 2.072 199 E HA 0.171 4.519 4.350 -0.003 0.000 0.191 199 E C 2.622 179.252 176.600 0.050 0.000 0.985 199 E CA 1.754 58.179 56.400 0.042 0.000 0.801 199 E CB -1.397 28.327 29.700 0.040 0.000 0.750 199 E HN 0.954 nan 8.360 nan 0.000 0.452 200 L N 0.548 121.806 121.223 0.057 0.000 2.079 200 L HA 0.355 4.693 4.340 -0.003 0.000 0.210 200 L C 3.011 179.913 176.870 0.053 0.000 1.081 200 L CA 2.896 57.773 54.840 0.061 0.000 0.752 200 L CB -1.636 40.473 42.059 0.083 0.000 0.896 200 L HN 0.719 nan 8.230 nan 0.000 0.433 201 A N -0.715 122.136 122.820 0.052 0.000 2.066 201 A HA 0.023 4.342 4.320 -0.003 0.000 0.218 201 A C 2.403 180.018 177.584 0.051 0.000 1.157 201 A CA 2.188 54.255 52.037 0.050 0.000 0.670 201 A CB -0.619 18.407 19.000 0.044 0.000 0.804 201 A HN 0.961 nan 8.150 nan 0.000 0.453 202 T N -4.499 110.085 114.554 0.050 0.000 2.959 202 T HA 0.122 4.470 4.350 -0.003 0.000 0.254 202 T C 0.245 174.980 174.700 0.059 0.000 1.003 202 T CA 0.454 62.586 62.100 0.054 0.000 0.950 202 T CB -0.002 68.895 68.868 0.049 0.000 1.090 202 T HN 0.163 nan 8.240 nan 0.000 0.503 203 D N 1.936 122.372 120.400 0.060 0.000 2.522 203 D HA 0.388 5.026 4.640 -0.003 0.000 0.218 203 D C 1.520 177.875 176.300 0.091 0.000 1.149 203 D CA -0.314 53.727 54.000 0.069 0.000 0.981 203 D CB 0.472 41.309 40.800 0.061 0.000 1.041 203 D HN 0.306 nan 8.370 nan 0.000 0.518 204 G N 2.559 111.426 108.800 0.112 0.000 2.448 204 G HA2 -0.271 3.688 3.960 -0.003 0.000 0.219 204 G HA3 -0.271 3.688 3.960 -0.003 0.000 0.219 204 G C 1.191 176.233 174.900 0.236 0.000 1.127 204 G CA 0.530 45.739 45.100 0.182 0.000 0.766 204 G HN 0.560 nan 8.290 nan 0.000 0.552 205 E N -0.277 120.015 120.200 0.153 0.000 2.077 205 E HA -0.144 4.204 4.350 -0.003 0.000 0.193 205 E C 2.334 179.010 176.600 0.127 0.000 0.989 205 E CA 0.861 57.337 56.400 0.125 0.000 0.800 205 E CB -0.188 29.562 29.700 0.083 0.000 0.746 205 E HN 0.312 nan 8.360 nan 0.000 0.452 206 L N 0.951 122.242 121.223 0.113 0.000 2.017 206 L HA -0.086 4.253 4.340 -0.003 0.000 0.208 206 L C 2.313 179.258 176.870 0.125 0.000 1.073 206 L CA 2.241 57.139 54.840 0.096 0.000 0.745 206 L CB -0.873 41.230 42.059 0.073 0.000 0.894 206 L HN 0.196 nan 8.230 nan 0.000 0.432 207 A N -0.574 122.346 122.820 0.166 0.000 1.940 207 A HA -0.129 4.189 4.320 -0.003 0.000 0.219 207 A C 2.439 180.262 177.584 0.399 0.000 1.176 207 A CA 1.883 54.049 52.037 0.215 0.000 0.631 207 A CB -1.141 17.914 19.000 0.091 0.000 0.814 207 A HN 0.578 nan 8.150 nan 0.000 0.446 208 A N -0.254 122.834 122.820 0.448 0.000 1.930 208 A HA -0.137 4.181 4.320 -0.003 0.000 0.217 208 A C 2.096 179.726 177.584 0.076 0.000 1.175 208 A CA 1.738 53.898 52.037 0.205 0.000 0.627 208 A CB -0.395 18.604 19.000 -0.002 0.000 0.815 208 A HN 0.549 nan 8.150 nan 0.000 0.443 209 K N -0.488 119.957 120.400 0.074 0.000 2.097 209 K HA -0.118 4.200 4.320 -0.003 0.000 0.206 209 K C 2.264 178.867 176.600 0.006 0.000 1.049 209 K CA 1.391 57.689 56.287 0.019 0.000 0.933 209 K CB -0.185 32.337 32.500 0.037 0.000 0.717 209 K HN 0.410 nan 8.250 nan 0.000 0.442 210 R N 0.430 120.960 120.500 0.051 0.000 2.081 210 R HA -0.110 4.228 4.340 -0.003 0.000 0.235 210 R C 2.405 178.721 176.300 0.026 0.000 1.131 210 R CA 1.365 57.487 56.100 0.037 0.000 0.960 210 R CB -0.390 29.943 30.300 0.055 0.000 0.856 210 R HN 0.185 nan 8.270 nan 0.000 0.436 211 A N 1.171 124.044 122.820 0.088 0.000 1.898 211 A HA -0.115 4.204 4.320 -0.003 0.000 0.216 211 A C 2.152 179.659 177.584 -0.130 0.000 1.181 211 A CA 1.121 53.199 52.037 0.069 0.000 0.620 211 A CB -0.415 18.776 19.000 0.318 0.000 0.819 211 A HN 0.174 nan 8.150 nan 0.000 0.442 212 I N -0.320 120.117 120.570 -0.221 0.000 2.286 212 I HA -0.221 3.948 4.170 -0.003 0.000 0.248 212 I C 2.525 178.427 176.117 -0.358 0.000 1.115 212 I CA 1.684 62.682 61.300 -0.505 0.000 1.392 212 I CB -0.476 37.175 38.000 -0.581 0.000 1.065 212 I HN 0.250 nan 8.210 nan 0.000 0.418 213 T N 0.293 114.739 114.554 -0.179 0.000 2.746 213 T HA -0.134 4.214 4.350 -0.003 0.000 0.267 213 T C 2.033 176.668 174.700 -0.109 0.000 1.039 213 T CA 1.273 63.309 62.100 -0.107 0.000 1.142 213 T CB -0.308 68.528 68.868 -0.053 0.000 0.866 213 T HN 0.101 nan 8.240 nan 0.000 0.444 214 V N 1.369 121.215 119.914 -0.113 0.000 2.287 214 V HA -0.164 3.954 4.120 -0.003 0.000 0.248 214 V C 2.385 178.389 176.094 -0.151 0.000 1.053 214 V CA 1.590 63.827 62.300 -0.106 0.000 1.027 214 V CB -0.591 31.179 31.823 -0.089 0.000 0.646 214 V HN 0.476 nan 8.190 nan 0.000 0.447 215 I N 0.244 120.678 120.570 -0.227 0.000 2.179 215 I HA -0.243 3.925 4.170 -0.003 0.000 0.242 215 I C 2.377 178.391 176.117 -0.173 0.000 1.088 215 I CA 2.076 63.219 61.300 -0.262 0.000 1.357 215 I CB -0.454 37.289 38.000 -0.427 0.000 1.051 215 I HN 0.398 nan 8.210 nan 0.000 0.409 216 D N 1.021 121.331 120.400 -0.150 0.000 2.097 216 D HA -0.202 4.437 4.640 -0.003 0.000 0.195 216 D C 2.155 178.445 176.300 -0.016 0.000 0.989 216 D CA 1.545 55.551 54.000 0.010 0.000 0.827 216 D CB 0.123 40.950 40.800 0.044 0.000 0.966 216 D HN -0.008 nan 8.370 nan 0.000 0.456 217 K N -0.238 120.133 120.400 -0.048 0.000 2.116 217 K HA 0.010 4.328 4.320 -0.003 0.000 0.203 217 K C 2.165 178.732 176.600 -0.056 0.000 1.052 217 K CA 0.887 57.152 56.287 -0.037 0.000 0.952 217 K CB -0.120 32.361 32.500 -0.031 0.000 0.729 217 K HN 0.422 nan 8.250 nan 0.000 0.446 218 Q N -0.640 119.103 119.800 -0.096 0.000 2.384 218 Q HA 0.231 4.570 4.340 -0.003 0.000 0.207 218 Q C 1.518 177.362 176.000 -0.260 0.000 0.904 218 Q CA 0.254 55.987 55.803 -0.118 0.000 0.933 218 Q CB 0.659 29.348 28.738 -0.082 0.000 1.077 218 Q HN 0.225 nan 8.270 nan 0.000 0.522 219 I N -1.838 118.562 120.570 -0.283 0.000 3.746 219 I HA 0.285 4.453 4.170 -0.003 0.000 0.262 219 I C 0.551 176.574 176.117 -0.157 0.000 1.153 219 I CA 0.248 61.319 61.300 -0.382 0.000 1.395 219 I CB 0.871 38.570 38.000 -0.501 0.000 1.589 219 I HN 0.054 nan 8.210 nan 0.000 0.441 220 G N 1.449 110.214 108.800 -0.058 0.000 3.019 220 G HA2 -0.008 3.950 3.960 -0.003 0.000 0.686 220 G HA3 -0.008 3.950 3.960 -0.003 0.000 0.686 220 G C 0.520 175.468 174.900 0.079 0.000 1.056 220 G CA -0.213 44.905 45.100 0.031 0.000 0.774 220 G HN 0.494 nan 8.290 nan 0.000 0.583 221 A N 1.447 124.361 122.820 0.156 0.000 1.948 221 A HA -0.036 4.283 4.320 -0.003 0.000 0.220 221 A C 1.996 179.596 177.584 0.026 0.000 1.177 221 A CA 2.453 54.556 52.037 0.111 0.000 0.636 221 A CB -0.235 18.735 19.000 -0.050 0.000 0.815 221 A HN 0.755 nan 8.150 nan 0.000 0.449 222 D N -0.073 120.335 120.400 0.013 0.000 2.371 222 D HA -0.047 4.592 4.640 -0.003 0.000 0.221 222 D C 0.746 177.052 176.300 0.010 0.000 0.986 222 D CA 0.600 54.601 54.000 0.001 0.000 0.899 222 D CB -0.145 40.654 40.800 -0.002 0.000 0.902 222 D HN 0.485 nan 8.370 nan 0.000 0.530 223 N N 0.025 118.733 118.700 0.013 0.000 2.184 223 N HA 0.047 4.786 4.740 -0.003 0.000 0.206 223 N C -0.120 175.402 175.510 0.020 0.000 1.151 223 N CA -0.188 52.870 53.050 0.013 0.000 0.878 223 N CB 1.448 39.932 38.487 -0.005 0.000 1.014 223 N HN 0.113 nan 8.380 nan 0.000 0.512 224 L N 0.942 122.184 121.223 0.031 0.000 2.298 224 L HA 0.555 4.893 4.340 -0.003 0.000 0.284 224 L C 0.958 177.861 176.870 0.055 0.000 1.013 224 L CA -0.335 54.533 54.840 0.048 0.000 0.824 224 L CB 1.316 43.427 42.059 0.088 0.000 1.221 224 L HN -0.052 nan 8.230 nan 0.000 0.418 225 A N 4.394 127.243 122.820 0.049 0.000 1.898 225 A HA 0.683 5.001 4.320 -0.003 0.000 0.214 225 A C 0.850 178.466 177.584 0.053 0.000 1.183 225 A CA 1.038 53.101 52.037 0.043 0.000 0.622 225 A CB -0.231 18.785 19.000 0.027 0.000 0.824 225 A HN 0.978 nan 8.150 nan 0.000 0.444 226 A N -1.926 120.924 122.820 0.049 0.000 2.604 226 A HA 0.571 4.889 4.320 -0.003 0.000 0.295 226 A C -1.344 176.259 177.584 0.031 0.000 1.067 226 A CA -0.352 51.708 52.037 0.038 0.000 0.683 226 A CB 0.958 19.953 19.000 -0.008 0.000 1.281 226 A HN 0.445 nan 8.150 nan 0.000 0.407 227 V N 1.247 121.176 119.914 0.025 0.000 2.417 227 V HA 0.594 4.712 4.120 -0.003 0.000 0.291 227 V C -0.345 175.662 176.094 -0.144 0.000 1.024 227 V CA -0.550 61.747 62.300 -0.005 0.000 0.861 227 V CB 1.376 33.256 31.823 0.094 0.000 0.985 227 V HN 0.950 nan 8.190 nan 0.000 0.436 228 V N 7.586 127.441 119.914 -0.097 0.000 2.459 228 V HA 0.733 4.851 4.120 -0.003 0.000 0.295 228 V C -0.748 175.349 176.094 0.004 0.000 1.029 228 V CA -0.360 61.838 62.300 -0.170 0.000 0.874 228 V CB 1.480 33.130 31.823 -0.289 0.000 0.985 228 V HN 0.800 nan 8.190 nan 0.000 0.438 229 I N 4.437 124.965 120.570 -0.071 0.000 2.775 229 I HA 0.498 4.666 4.170 -0.003 0.000 0.295 229 I C -0.613 175.532 176.117 0.047 0.000 1.287 229 I CA -0.538 60.779 61.300 0.029 0.000 1.029 229 I CB 2.439 40.315 38.000 -0.208 0.000 1.282 229 I HN 0.678 nan 8.210 nan 0.000 0.426 230 E N 7.733 127.993 120.200 0.099 0.000 2.289 230 E HA 0.208 4.556 4.350 -0.003 0.000 0.278 230 E C -1.953 174.667 176.600 0.033 0.000 1.032 230 E CA -1.408 55.026 56.400 0.057 0.000 0.854 230 E CB 0.853 30.564 29.700 0.018 0.000 1.046 230 E HN 0.379 nan 8.360 nan 0.000 0.409 231 P HA -0.098 nan 4.420 nan 0.000 0.218 231 P C -0.200 177.107 177.300 0.012 0.000 1.149 231 P CA 1.239 64.373 63.100 0.057 0.000 0.817 231 P CB 0.349 32.091 31.700 0.070 0.000 0.785 232 I N -1.193 119.355 120.570 -0.036 0.000 2.468 232 I HA 0.196 4.365 4.170 -0.003 0.000 0.285 232 I C -0.434 175.631 176.117 -0.088 0.000 1.039 232 I CA -1.165 60.083 61.300 -0.087 0.000 1.074 232 I CB 1.955 39.854 38.000 -0.168 0.000 1.228 232 I HN -0.361 nan 8.210 nan 0.000 0.436 233 Q N 3.518 123.281 119.800 -0.063 0.000 2.274 233 Q HA 0.181 4.519 4.340 -0.003 0.000 0.280 233 Q C 0.908 176.910 176.000 0.003 0.000 1.047 233 Q CA 0.473 56.256 55.803 -0.032 0.000 0.907 233 Q CB 1.188 29.911 28.738 -0.026 0.000 1.171 233 Q HN 0.811 nan 8.270 nan 0.000 0.381 234 G N 2.240 111.054 108.800 0.022 0.000 2.658 234 G HA2 -0.135 3.823 3.960 -0.003 0.000 0.217 234 G HA3 -0.135 3.823 3.960 -0.003 0.000 0.217 234 G C 0.634 175.652 174.900 0.197 0.000 1.319 234 G CA -0.105 45.068 45.100 0.122 0.000 0.885 234 G HN 0.575 nan 8.290 nan 0.000 0.553 235 E N 1.082 121.296 120.200 0.023 0.000 2.267 235 E HA -0.075 4.273 4.350 -0.003 0.000 0.197 235 E C 2.509 179.115 176.600 0.010 0.000 0.998 235 E CA 0.924 57.279 56.400 -0.076 0.000 0.830 235 E CB -0.738 28.706 29.700 -0.426 0.000 0.751 235 E HN 0.378 nan 8.360 nan 0.000 0.491 236 G N -0.027 108.801 108.800 0.047 0.000 2.679 236 G HA2 0.079 4.037 3.960 -0.003 0.000 0.212 236 G HA3 0.079 4.037 3.960 -0.003 0.000 0.212 236 G C 1.007 175.893 174.900 -0.023 0.000 1.137 236 G CA 0.614 45.746 45.100 0.054 0.000 0.787 236 G HN 0.427 nan 8.290 nan 0.000 0.534 237 G N -1.319 107.486 108.800 0.008 0.000 2.240 237 G HA2 -0.028 3.930 3.960 -0.003 0.000 0.181 237 G HA3 -0.028 3.930 3.960 -0.003 0.000 0.181 237 G C 0.317 175.266 174.900 0.081 0.000 1.028 237 G CA -0.240 44.840 45.100 -0.032 0.000 0.760 237 G HN 0.537 nan 8.290 nan 0.000 0.508 238 F N -0.817 119.061 119.950 -0.121 0.000 3.039 238 F HA -0.166 4.359 4.527 -0.004 0.000 0.287 238 F C 0.916 176.640 175.800 -0.127 0.000 0.956 238 F CA 0.259 58.201 58.000 -0.097 0.000 0.971 238 F CB -1.940 37.025 39.000 -0.060 0.000 0.943 238 F HN 0.371 nan 8.300 nan 0.000 0.766 239 I N 0.611 121.152 120.570 -0.050 0.000 2.352 239 I HA 0.255 4.423 4.170 -0.003 0.000 0.290 239 I C 0.377 176.435 176.117 -0.098 0.000 1.036 239 I CA -0.678 60.522 61.300 -0.167 0.000 1.336 239 I CB 0.900 38.653 38.000 -0.411 0.000 1.407 239 I HN -0.173 nan 8.210 nan 0.000 0.497 240 V N 8.956 128.837 119.914 -0.055 0.000 2.383 240 V HA 0.295 4.414 4.120 -0.003 0.000 0.275 240 V C -1.809 174.269 176.094 -0.027 0.000 1.036 240 V CA -1.592 60.681 62.300 -0.045 0.000 0.889 240 V CB 1.020 32.816 31.823 -0.045 0.000 0.985 240 V HN 0.610 nan 8.190 nan 0.000 0.459 241 P HA 0.254 nan 4.420 nan 0.000 0.274 241 P C -0.306 177.001 177.300 0.012 0.000 1.237 241 P CA -0.222 62.844 63.100 -0.056 0.000 0.793 241 P CB 0.850 32.571 31.700 0.035 0.000 0.977 242 A N 2.165 124.979 122.820 -0.011 0.000 2.498 242 A HA 0.064 4.382 4.320 -0.003 0.000 0.239 242 A C 0.231 177.883 177.584 0.114 0.000 1.068 242 A CA -0.086 51.982 52.037 0.053 0.000 0.766 242 A CB -0.638 18.387 19.000 0.041 0.000 1.003 242 A HN 0.499 nan 8.150 nan 0.000 0.497 243 D N 0.698 121.165 120.400 0.113 0.000 2.525 243 D HA 0.344 4.983 4.640 -0.003 0.000 0.235 243 D C 1.369 177.746 176.300 0.128 0.000 1.137 243 D CA 2.091 56.166 54.000 0.124 0.000 0.868 243 D CB 0.608 41.468 40.800 0.098 0.000 1.180 243 D HN 1.108 nan 8.370 nan 0.000 0.465 244 G N 1.621 110.498 108.800 0.129 0.000 2.234 244 G HA2 -0.360 3.598 3.960 -0.003 0.000 0.235 244 G HA3 -0.360 3.598 3.960 -0.003 0.000 0.235 244 G C 0.870 175.867 174.900 0.161 0.000 0.997 244 G CA 0.250 45.420 45.100 0.116 0.000 0.623 244 G HN 0.472 nan 8.290 nan 0.000 0.514 245 F N 1.555 121.529 119.950 0.040 0.000 2.060 245 F HA 0.220 4.745 4.527 -0.002 0.000 0.295 245 F C 2.598 178.425 175.800 0.045 0.000 1.120 245 F CA 2.324 60.347 58.000 0.039 0.000 1.205 245 F CB -0.491 38.525 39.000 0.027 0.000 0.986 245 F HN 0.176 nan 8.300 nan 0.000 0.470 246 L N 0.171 121.424 121.223 0.049 0.000 2.017 246 L HA -0.145 4.193 4.340 -0.003 0.000 0.208 246 L C -0.390 176.415 176.870 -0.108 0.000 1.073 246 L CA 1.317 56.135 54.840 -0.037 0.000 0.745 246 L CB -2.286 39.834 42.059 0.102 0.000 0.894 246 L HN 0.123 nan 8.230 nan 0.000 0.432 247 P HA -0.144 nan 4.420 nan 0.000 0.216 247 P C 1.568 178.820 177.300 -0.080 0.000 1.150 247 P CA 1.487 64.532 63.100 -0.092 0.000 0.843 247 P CB -0.086 31.593 31.700 -0.034 0.000 0.787 248 T N -0.600 113.927 114.554 -0.044 0.000 2.812 248 T HA -0.021 4.327 4.350 -0.003 0.000 0.264 248 T C 1.760 176.466 174.700 0.010 0.000 1.042 248 T CA 0.870 62.966 62.100 -0.006 0.000 1.140 248 T CB -0.827 68.051 68.868 0.017 0.000 0.870 248 T HN 0.046 nan 8.240 nan 0.000 0.445 249 L N 0.526 121.711 121.223 -0.064 0.000 2.042 249 L HA -0.083 4.255 4.340 -0.003 0.000 0.210 249 L C 2.465 179.429 176.870 0.158 0.000 1.076 249 L CA 0.908 55.782 54.840 0.056 0.000 0.749 249 L CB -0.568 41.501 42.059 0.017 0.000 0.893 249 L HN 0.233 nan 8.230 nan 0.000 0.432 250 L N 0.406 121.539 121.223 -0.150 0.000 2.017 250 L HA -0.253 4.085 4.340 -0.003 0.000 0.208 250 L C 2.046 178.858 176.870 -0.097 0.000 1.073 250 L CA 2.188 56.791 54.840 -0.395 0.000 0.745 250 L CB -0.638 40.968 42.059 -0.754 0.000 0.894 250 L HN 0.249 nan 8.230 nan 0.000 0.432 251 D N -1.680 118.692 120.400 -0.047 0.000 2.123 251 D HA -0.326 4.313 4.640 -0.003 0.000 0.196 251 D C 1.956 178.298 176.300 0.071 0.000 0.992 251 D CA 1.708 55.709 54.000 0.002 0.000 0.833 251 D CB -0.425 40.383 40.800 0.014 0.000 0.954 251 D HN 0.520 nan 8.370 nan 0.000 0.455 252 W N 0.358 121.645 121.300 -0.022 0.000 2.358 252 W HA -0.213 4.445 4.660 -0.003 0.000 0.303 252 W C 2.340 178.872 176.519 0.023 0.000 1.208 252 W CA 1.453 58.802 57.345 0.006 0.000 1.274 252 W CB -0.530 28.941 29.460 0.018 0.000 1.138 252 W HN 0.092 nan 8.180 nan 0.000 0.515 253 C N 0.650 120.104 119.300 0.256 0.000 2.429 253 C HA -0.166 4.292 4.460 -0.003 0.000 0.277 253 C C 2.739 177.680 174.990 -0.082 0.000 1.262 253 C CA 0.991 60.074 59.018 0.109 0.000 1.733 253 C CB -1.308 26.624 27.740 0.320 0.000 2.010 253 C HN 0.296 nan 8.230 nan 0.000 0.483 254 R N 1.181 121.648 120.500 -0.054 0.000 2.096 254 R HA -0.076 4.262 4.340 -0.003 0.000 0.235 254 R C 1.989 178.214 176.300 -0.127 0.000 1.127 254 R CA 1.120 57.175 56.100 -0.075 0.000 0.968 254 R CB -0.466 29.797 30.300 -0.061 0.000 0.861 254 R HN 0.626 nan 8.270 nan 0.000 0.440 255 K N 0.078 120.366 120.400 -0.186 0.000 2.365 255 K HA 0.025 4.343 4.320 -0.003 0.000 0.199 255 K C 1.062 177.478 176.600 -0.307 0.000 1.045 255 K CA 0.604 56.761 56.287 -0.217 0.000 0.962 255 K CB 0.164 32.539 32.500 -0.208 0.000 0.759 255 K HN 0.142 nan 8.250 nan 0.000 0.469 256 N N 0.867 119.296 118.700 -0.451 0.000 2.200 256 N HA -0.048 4.690 4.740 -0.003 0.000 0.224 256 N C -0.816 174.507 175.510 -0.312 0.000 1.179 256 N CA 0.206 52.946 53.050 -0.516 0.000 0.877 256 N CB 0.866 38.686 38.487 -1.111 0.000 1.072 256 N HN 0.021 nan 8.380 nan 0.000 0.519 257 D N 0.849 121.134 120.400 -0.192 0.000 2.723 257 D HA -0.148 4.490 4.640 -0.003 0.000 0.236 257 D C -1.090 175.180 176.300 -0.051 0.000 1.138 257 D CA 0.456 54.405 54.000 -0.085 0.000 0.676 257 D CB -1.149 39.611 40.800 -0.068 0.000 1.069 257 D HN -0.057 nan 8.370 nan 0.000 0.430 258 V N 0.394 120.279 119.914 -0.049 0.000 2.555 258 V HA 0.464 4.582 4.120 -0.003 0.000 0.302 258 V C 0.710 176.864 176.094 0.100 0.000 1.038 258 V CA -1.007 61.318 62.300 0.041 0.000 0.887 258 V CB 2.222 34.098 31.823 0.089 0.000 0.991 258 V HN 0.019 nan 8.190 nan 0.000 0.434 259 V N 4.925 124.903 119.914 0.107 0.000 2.470 259 V HA 0.196 4.314 4.120 -0.003 0.000 0.276 259 V C -0.227 175.951 176.094 0.139 0.000 1.040 259 V CA -0.051 62.313 62.300 0.107 0.000 1.008 259 V CB 0.626 32.488 31.823 0.064 0.000 0.990 259 V HN 0.675 nan 8.190 nan 0.000 0.477 260 F N 7.045 127.015 119.950 0.033 0.000 2.404 260 F HA 0.564 5.089 4.527 -0.003 0.000 0.358 260 F C 0.057 175.866 175.800 0.015 0.000 1.120 260 F CA -0.616 57.409 58.000 0.042 0.000 1.144 260 F CB 0.484 39.507 39.000 0.037 0.000 1.133 260 F HN 0.341 nan 8.300 nan 0.000 0.495 261 I N 6.779 127.165 120.570 -0.307 0.000 2.330 261 I HA 0.392 4.560 4.170 -0.003 0.000 0.289 261 I C -0.136 175.806 176.117 -0.291 0.000 1.001 261 I CA -0.846 60.341 61.300 -0.188 0.000 1.193 261 I CB 1.326 39.237 38.000 -0.147 0.000 1.345 261 I HN 0.705 nan 8.210 nan 0.000 0.461 262 A N 4.792 127.565 122.820 -0.078 0.000 2.302 262 A HA 0.234 4.552 4.320 -0.003 0.000 0.295 262 A C -0.247 177.342 177.584 0.007 0.000 1.235 262 A CA -0.380 51.652 52.037 -0.009 0.000 0.876 262 A CB 0.217 19.296 19.000 0.131 0.000 1.133 262 A HN 0.678 nan 8.150 nan 0.000 0.533 263 D N 2.733 123.154 120.400 0.034 0.000 2.422 263 D HA 0.128 4.767 4.640 -0.003 0.000 0.227 263 D C 0.219 176.576 176.300 0.096 0.000 1.190 263 D CA 0.121 54.174 54.000 0.089 0.000 0.905 263 D CB 0.453 41.371 40.800 0.197 0.000 1.034 263 D HN 0.582 nan 8.370 nan 0.000 0.507 264 E N 2.794 123.055 120.200 0.101 0.000 2.496 264 E HA 0.049 4.397 4.350 -0.003 0.000 0.202 264 E C 1.585 178.284 176.600 0.165 0.000 1.021 264 E CA -0.159 56.323 56.400 0.137 0.000 1.015 264 E CB 0.990 30.805 29.700 0.191 0.000 1.102 264 E HN 0.324 nan 8.360 nan 0.000 0.452 265 V N 0.943 120.939 119.914 0.137 0.000 2.282 265 V HA -0.326 3.792 4.120 -0.003 0.000 0.249 265 V C 2.410 178.577 176.094 0.121 0.000 1.057 265 V CA 2.233 64.616 62.300 0.139 0.000 1.032 265 V CB -0.233 31.661 31.823 0.118 0.000 0.645 265 V HN 0.343 nan 8.190 nan 0.000 0.447 266 Q N -0.590 119.259 119.800 0.082 0.000 2.259 266 Q HA -0.107 4.232 4.340 -0.003 0.000 0.201 266 Q C 2.246 178.252 176.000 0.009 0.000 0.938 266 Q CA 1.407 57.233 55.803 0.039 0.000 0.872 266 Q CB 0.097 28.839 28.738 0.006 0.000 0.971 266 Q HN 0.795 nan 8.270 nan 0.000 0.494 267 T N -2.443 112.117 114.554 0.010 0.000 3.023 267 T HA 0.163 4.511 4.350 -0.003 0.000 0.266 267 T C 0.982 175.694 174.700 0.020 0.000 1.093 267 T CA 0.290 62.379 62.100 -0.019 0.000 1.129 267 T CB -0.086 68.772 68.868 -0.017 0.000 0.899 267 T HN 0.244 nan 8.240 nan 0.000 0.491 268 G N 0.072 108.939 108.800 0.112 0.000 2.599 268 G HA2 0.432 4.390 3.960 -0.003 0.000 0.264 268 G HA3 0.432 4.390 3.960 -0.003 0.000 0.264 268 G C -0.517 174.350 174.900 -0.056 0.000 1.200 268 G CA -0.953 44.193 45.100 0.077 0.000 0.896 268 G HN 0.323 nan 8.290 nan 0.000 0.536 269 F N -0.975 118.643 119.950 -0.554 0.000 2.803 269 F HA -0.149 4.376 4.527 -0.003 0.000 0.323 269 F C 1.526 177.159 175.800 -0.277 0.000 1.033 269 F CA 1.321 59.065 58.000 -0.427 0.000 1.066 269 F CB -1.537 37.353 39.000 -0.183 0.000 1.283 269 F HN 1.731 nan 8.300 nan 0.000 0.816 270 A N -1.054 121.613 122.820 -0.255 0.000 3.829 270 A HA -0.415 3.903 4.320 -0.003 0.000 0.264 270 A C 1.719 179.251 177.584 -0.085 0.000 0.998 270 A CA 2.000 53.954 52.037 -0.140 0.000 1.270 270 A CB -1.375 17.586 19.000 -0.065 0.000 1.063 270 A HN 0.735 nan 8.150 nan 0.000 0.879 271 R N 1.199 121.656 120.500 -0.073 0.000 2.105 271 R HA -0.108 4.230 4.340 -0.003 0.000 0.239 271 R C 1.949 178.211 176.300 -0.063 0.000 1.135 271 R CA 3.080 59.151 56.100 -0.050 0.000 0.967 271 R CB -1.001 29.273 30.300 -0.044 0.000 0.861 271 R HN 1.132 nan 8.270 nan 0.000 0.442 272 T N -3.782 110.724 114.554 -0.080 0.000 3.163 272 T HA 0.305 4.653 4.350 -0.003 0.000 0.252 272 T C 1.025 175.694 174.700 -0.053 0.000 1.056 272 T CA 0.189 62.242 62.100 -0.078 0.000 0.947 272 T CB 0.220 69.033 68.868 -0.091 0.000 1.016 272 T HN 0.435 nan 8.240 nan 0.000 0.554 273 G N 0.320 109.093 108.800 -0.046 0.000 2.136 273 G HA2 0.141 4.099 3.960 -0.003 0.000 0.242 273 G HA3 0.141 4.099 3.960 -0.003 0.000 0.242 273 G C 0.130 175.019 174.900 -0.018 0.000 0.989 273 G CA -0.294 44.791 45.100 -0.026 0.000 0.682 273 G HN 1.381 nan 8.290 nan 0.000 0.522 274 A N -1.716 121.079 122.820 -0.042 0.000 2.587 274 A HA 0.840 5.158 4.320 -0.003 0.000 0.293 274 A C 0.776 178.279 177.584 -0.135 0.000 1.087 274 A CA 0.432 52.443 52.037 -0.044 0.000 0.692 274 A CB 0.923 19.928 19.000 0.009 0.000 1.291 274 A HN 0.942 nan 8.150 nan 0.000 0.407 275 M N 0.436 119.932 119.600 -0.174 0.000 2.108 275 M HA 0.143 4.621 4.480 -0.003 0.000 0.261 275 M C -0.625 175.162 176.300 -0.855 0.000 1.066 275 M CA 1.975 57.017 55.300 -0.430 0.000 1.107 275 M CB -0.573 31.839 32.600 -0.313 0.000 1.356 275 M HN 0.538 nan 8.290 nan 0.000 0.406 276 F N -1.848 118.030 119.950 -0.121 0.000 2.565 276 F HA 0.554 5.079 4.527 -0.002 0.000 0.313 276 F C 0.919 176.691 175.800 -0.047 0.000 1.091 276 F CA -0.672 57.261 58.000 -0.112 0.000 0.915 276 F CB 0.996 39.915 39.000 -0.136 0.000 1.208 276 F HN -0.032 nan 8.300 nan 0.000 0.453 277 A N 0.456 123.360 122.820 0.140 0.000 2.070 277 A HA -0.121 4.197 4.320 -0.003 0.000 0.220 277 A C 1.939 179.596 177.584 0.121 0.000 1.159 277 A CA 1.527 53.616 52.037 0.088 0.000 0.656 277 A CB -1.167 17.856 19.000 0.038 0.000 0.800 277 A HN 0.902 nan 8.150 nan 0.000 0.453 278 C N -0.230 119.152 119.300 0.137 0.000 2.409 278 C HA -0.122 4.336 4.460 -0.003 0.000 0.284 278 C C 2.442 177.488 174.990 0.094 0.000 1.354 278 C CA 1.208 60.292 59.018 0.110 0.000 1.787 278 C CB -1.364 26.426 27.740 0.082 0.000 1.900 278 C HN 0.672 nan 8.230 nan 0.000 0.520 279 E N -0.575 119.688 120.200 0.106 0.000 2.204 279 E HA -0.233 4.115 4.350 -0.003 0.000 0.194 279 E C 1.753 178.395 176.600 0.071 0.000 0.989 279 E CA 1.044 57.488 56.400 0.074 0.000 0.824 279 E CB -0.243 29.500 29.700 0.072 0.000 0.756 279 E HN 0.778 nan 8.360 nan 0.000 0.477 280 H N 1.211 120.293 119.070 0.019 0.000 2.352 280 H HA -0.078 4.475 4.556 -0.004 0.000 0.299 280 H C 1.196 176.532 175.328 0.013 0.000 1.097 280 H CA 1.640 57.696 56.048 0.013 0.000 1.311 280 H CB 0.271 30.041 29.762 0.014 0.000 1.377 280 H HN 0.056 nan 8.280 nan 0.000 0.504 281 E N -1.138 119.085 120.200 0.037 0.000 2.501 281 E HA 0.172 4.520 4.350 -0.003 0.000 0.200 281 E C 0.530 177.113 176.600 -0.028 0.000 1.016 281 E CA 0.229 56.616 56.400 -0.021 0.000 0.921 281 E CB 0.775 30.507 29.700 0.053 0.000 1.034 281 E HN 0.668 nan 8.360 nan 0.000 0.468 282 G N 2.165 110.951 108.800 -0.022 0.000 2.221 282 G HA2 -0.245 3.713 3.960 -0.003 0.000 0.265 282 G HA3 -0.245 3.713 3.960 -0.003 0.000 0.265 282 G C 0.200 175.076 174.900 -0.040 0.000 1.041 282 G CA -0.176 44.907 45.100 -0.029 0.000 0.807 282 G HN 0.190 nan 8.290 nan 0.000 0.502 283 I N 1.750 122.299 120.570 -0.034 0.000 2.471 283 I HA 0.202 4.370 4.170 -0.003 0.000 0.286 283 I C 0.334 176.408 176.117 -0.072 0.000 1.079 283 I CA -0.669 60.582 61.300 -0.081 0.000 1.398 283 I CB 0.819 38.783 38.000 -0.060 0.000 1.403 283 I HN 0.425 nan 8.210 nan 0.000 0.530 284 D N 8.570 128.904 120.400 -0.110 0.000 2.472 284 D HA 0.337 4.976 4.640 -0.003 0.000 0.234 284 D C -2.734 173.512 176.300 -0.090 0.000 1.088 284 D CA -1.520 52.431 54.000 -0.082 0.000 0.882 284 D CB 1.608 42.366 40.800 -0.070 0.000 1.037 284 D HN 0.201 nan 8.370 nan 0.000 0.520 285 P HA 0.126 nan 4.420 nan 0.000 0.274 285 P C 0.214 177.558 177.300 0.073 0.000 1.256 285 P CA -0.269 62.899 63.100 0.113 0.000 0.795 285 P CB 1.657 33.518 31.700 0.268 0.000 1.038 286 D N -0.553 119.932 120.400 0.141 0.000 2.120 286 D HA 0.071 4.709 4.640 -0.003 0.000 0.202 286 D C 0.661 176.969 176.300 0.014 0.000 0.972 286 D CA 1.363 55.395 54.000 0.055 0.000 0.837 286 D CB 0.116 40.958 40.800 0.069 0.000 0.989 286 D HN 0.284 nan 8.370 nan 0.000 0.469 287 L N 0.468 121.712 121.223 0.034 0.000 2.370 287 L HA 0.534 4.873 4.340 -0.003 0.000 0.266 287 L C -0.648 176.218 176.870 -0.007 0.000 1.002 287 L CA -0.779 54.057 54.840 -0.007 0.000 0.818 287 L CB 3.217 45.265 42.059 -0.018 0.000 1.325 287 L HN -0.165 nan 8.230 nan 0.000 0.418 288 I N 1.791 122.334 120.570 -0.045 0.000 2.498 288 I HA 0.493 4.661 4.170 -0.003 0.000 0.290 288 I C -1.086 175.008 176.117 -0.038 0.000 1.032 288 I CA -0.699 60.562 61.300 -0.066 0.000 1.073 288 I CB 2.127 40.018 38.000 -0.182 0.000 1.251 288 I HN 0.247 nan 8.210 nan 0.000 0.426 289 V N 5.803 125.719 119.914 0.002 0.000 2.427 289 V HA 0.555 4.673 4.120 -0.003 0.000 0.286 289 V C 0.241 176.394 176.094 0.097 0.000 1.034 289 V CA -0.299 62.031 62.300 0.050 0.000 0.893 289 V CB 1.387 33.239 31.823 0.047 0.000 0.982 289 V HN 0.841 nan 8.190 nan 0.000 0.452 290 T N 1.463 116.104 114.554 0.147 0.000 2.916 290 T HA 0.968 5.317 4.350 -0.003 0.000 0.292 290 T C -0.480 174.343 174.700 0.204 0.000 1.055 290 T CA -0.212 62.039 62.100 0.251 0.000 1.009 290 T CB 2.354 71.482 68.868 0.433 0.000 1.118 290 T HN 1.423 nan 8.240 nan 0.000 0.497 294 I N 1.208 121.503 120.570 -0.457 0.000 2.248 294 I HA 0.025 4.194 4.170 -0.003 0.000 0.248 294 I C 1.946 177.737 176.117 -0.544 0.000 1.107 294 I CA 2.117 62.857 61.300 -0.934 0.000 1.373 294 I CB 0.234 37.894 38.000 -0.567 0.000 1.055 294 I HN 0.209 nan 8.210 nan 0.000 0.418 295 A N -0.424 122.221 122.820 -0.291 0.000 2.616 295 A HA 0.487 4.805 4.320 -0.003 0.000 0.294 295 A C 1.166 178.672 177.584 -0.130 0.000 1.091 295 A CA 0.311 52.235 52.037 -0.189 0.000 0.971 295 A CB -0.109 18.806 19.000 -0.140 0.000 1.222 295 A HN 0.633 nan 8.150 nan 0.000 0.521 296 G N -1.184 107.538 108.800 -0.129 0.000 2.203 296 G HA2 0.098 4.057 3.960 -0.003 0.000 0.263 296 G HA3 0.098 4.057 3.960 -0.003 0.000 0.263 296 G C 1.507 176.367 174.900 -0.066 0.000 1.012 296 G CA 1.251 46.300 45.100 -0.085 0.000 0.749 296 G HN 2.222 nan 8.290 nan 0.000 0.512 297 G N -2.411 106.348 108.800 -0.067 0.000 2.253 297 G HA2 -0.110 3.848 3.960 -0.003 0.000 0.209 297 G HA3 -0.110 3.848 3.960 -0.003 0.000 0.209 297 G C 0.303 175.172 174.900 -0.053 0.000 0.997 297 G CA 0.156 45.224 45.100 -0.053 0.000 0.640 297 G HN 0.984 nan 8.290 nan 0.000 0.496 298 L N 1.637 122.823 121.223 -0.062 0.000 2.395 298 L HA 0.422 4.760 4.340 -0.003 0.000 0.269 298 L C -1.923 174.914 176.870 -0.055 0.000 1.133 298 L CA -1.268 53.535 54.840 -0.060 0.000 0.812 298 L CB 0.487 42.507 42.059 -0.066 0.000 1.125 298 L HN -0.069 nan 8.230 nan 0.000 0.452 299 P HA 0.331 nan 4.420 nan 0.000 0.274 299 P C -0.877 176.412 177.300 -0.018 0.000 1.291 299 P CA -0.107 62.975 63.100 -0.030 0.000 0.815 299 P CB 0.693 32.370 31.700 -0.037 0.000 0.897 300 L N 3.079 124.292 121.223 -0.016 0.000 2.506 300 L HA 0.712 5.051 4.340 -0.003 0.000 0.257 300 L C -0.761 176.114 176.870 0.008 0.000 0.964 300 L CA -0.184 54.646 54.840 -0.017 0.000 0.836 300 L CB 2.192 44.209 42.059 -0.069 0.000 1.384 300 L HN 0.415 nan 8.230 nan 0.000 0.410 301 S N 2.216 117.941 115.700 0.041 0.000 2.671 301 S HA 1.062 5.530 4.470 -0.003 0.000 0.277 301 S C -1.105 173.554 174.600 0.098 0.000 1.165 301 S CA -0.163 58.094 58.200 0.095 0.000 0.822 301 S CB 1.708 65.001 63.200 0.155 0.000 1.150 301 S HN 1.612 nan 8.310 nan 0.000 0.479 302 A N 0.134 123.046 122.820 0.153 0.000 2.612 302 A HA 0.774 5.093 4.320 -0.003 0.000 0.293 302 A C -1.613 176.078 177.584 0.179 0.000 1.075 302 A CA -0.729 51.379 52.037 0.119 0.000 0.680 302 A CB 1.349 20.360 19.000 0.018 0.000 1.279 302 A HN 1.346 nan 8.150 nan 0.000 0.411 303 V N 0.904 120.930 119.914 0.185 0.000 2.540 303 V HA 0.764 4.882 4.120 -0.003 0.000 0.302 303 V C -0.216 175.904 176.094 0.043 0.000 1.035 303 V CA -0.349 62.023 62.300 0.121 0.000 0.873 303 V CB 1.895 33.818 31.823 0.168 0.000 0.992 303 V HN 0.962 nan 8.190 nan 0.000 0.428 304 T N 2.823 117.372 114.554 -0.009 0.000 2.876 304 T HA 0.864 5.213 4.350 -0.003 0.000 0.289 304 T C 0.084 174.753 174.700 -0.052 0.000 1.014 304 T CA -0.340 61.733 62.100 -0.044 0.000 0.986 304 T CB 1.894 70.710 68.868 -0.087 0.000 1.021 304 T HN 1.170 nan 8.240 nan 0.000 0.458 305 G N 1.166 109.936 108.800 -0.049 0.000 2.559 305 G HA2 0.528 4.486 3.960 -0.003 0.000 0.291 305 G HA3 0.528 4.486 3.960 -0.003 0.000 0.291 305 G C -1.457 173.408 174.900 -0.058 0.000 1.424 305 G CA -1.121 43.946 45.100 -0.054 0.000 0.786 305 G HN 0.666 nan 8.290 nan 0.000 0.485 306 R N 0.215 120.675 120.500 -0.067 0.000 2.537 306 R HA 0.294 4.632 4.340 -0.003 0.000 0.281 306 R C 1.659 177.912 176.300 -0.077 0.000 0.988 306 R CA 0.503 56.562 56.100 -0.069 0.000 1.077 306 R CB 0.901 31.155 30.300 -0.077 0.000 0.932 306 R HN 0.659 nan 8.270 nan 0.000 0.409 307 A N 4.012 126.801 122.820 -0.052 0.000 1.892 307 A HA -0.247 4.071 4.320 -0.003 0.000 0.218 307 A C 1.915 179.471 177.584 -0.046 0.000 1.188 307 A CA 1.880 53.895 52.037 -0.038 0.000 0.631 307 A CB -0.411 18.578 19.000 -0.018 0.000 0.822 307 A HN 0.915 nan 8.150 nan 0.000 0.447 308 E N 0.340 120.508 120.200 -0.053 0.000 2.204 308 E HA -0.159 4.189 4.350 -0.003 0.000 0.194 308 E C 1.884 178.394 176.600 -0.150 0.000 0.989 308 E CA 1.413 57.793 56.400 -0.034 0.000 0.824 308 E CB -0.503 29.207 29.700 0.016 0.000 0.756 308 E HN 0.701 nan 8.360 nan 0.000 0.477 309 I N 0.626 120.987 120.570 -0.349 0.000 2.235 309 I HA -0.193 3.975 4.170 -0.003 0.000 0.241 309 I C 2.734 178.722 176.117 -0.214 0.000 1.085 309 I CA 0.797 61.733 61.300 -0.606 0.000 1.378 309 I CB -0.342 37.342 38.000 -0.527 0.000 1.076 309 I HN -0.008 nan 8.210 nan 0.000 0.415 310 M N 0.204 119.730 119.600 -0.122 0.000 2.202 310 M HA -0.215 4.263 4.480 -0.003 0.000 0.262 310 M C 1.305 177.596 176.300 -0.015 0.000 1.063 310 M CA 1.667 56.939 55.300 -0.046 0.000 1.097 310 M CB -1.152 31.431 32.600 -0.029 0.000 1.382 310 M HN 0.199 nan 8.290 nan 0.000 0.413 311 D N -0.338 120.056 120.400 -0.009 0.000 2.349 311 D HA 0.049 4.688 4.640 -0.003 0.000 0.224 311 D C 1.836 178.162 176.300 0.044 0.000 1.029 311 D CA 0.278 54.289 54.000 0.019 0.000 0.879 311 D CB 0.149 40.964 40.800 0.025 0.000 0.906 311 D HN 0.193 nan 8.370 nan 0.000 0.528 312 S N 0.845 116.581 115.700 0.060 0.000 2.356 312 S HA -0.033 4.436 4.470 -0.003 0.000 0.223 312 S C -1.681 172.951 174.600 0.053 0.000 1.032 312 S CA 0.367 58.625 58.200 0.097 0.000 1.005 312 S CB -0.759 62.547 63.200 0.177 0.000 0.867 312 S HN 0.271 nan 8.310 nan 0.000 0.449 313 P HA 0.018 nan 4.420 nan 0.000 0.265 313 P C -0.111 177.128 177.300 -0.103 0.000 1.187 313 P CA 0.275 63.312 63.100 -0.105 0.000 0.766 313 P CB 0.086 31.688 31.700 -0.164 0.000 0.820 314 H N 0.786 119.883 119.070 0.045 0.000 2.836 314 H HA 0.080 4.634 4.556 -0.003 0.000 0.368 314 H C -0.027 175.326 175.328 0.042 0.000 1.164 314 H CA -0.671 55.402 56.048 0.042 0.000 1.425 314 H CB -0.257 29.528 29.762 0.038 0.000 1.414 314 H HN 0.078 nan 8.280 nan 0.000 0.614 315 V N 2.287 122.281 119.914 0.133 0.000 2.644 315 V HA -0.154 3.965 4.120 -0.003 0.000 0.305 315 V C 0.982 177.145 176.094 0.115 0.000 1.053 315 V CA 1.234 63.583 62.300 0.082 0.000 1.186 315 V CB 0.459 32.323 31.823 0.069 0.000 0.895 315 V HN 1.053 nan 8.190 nan 0.000 0.490 316 S N 2.695 118.432 115.700 0.062 0.000 2.857 316 S HA -0.192 4.276 4.470 -0.003 0.000 0.268 316 S C 1.580 176.220 174.600 0.068 0.000 1.297 316 S CA 0.951 59.196 58.200 0.076 0.000 1.280 316 S CB -1.432 61.824 63.200 0.093 0.000 1.562 316 S HN 1.247 nan 8.310 nan 0.000 0.661 317 G N -0.280 108.469 108.800 -0.085 0.000 2.572 317 G HA2 0.354 4.312 3.960 -0.003 0.000 0.216 317 G HA3 0.354 4.312 3.960 -0.003 0.000 0.216 317 G C 0.270 175.112 174.900 -0.095 0.000 1.133 317 G CA 0.408 45.345 45.100 -0.271 0.000 0.791 317 G HN 0.498 nan 8.290 nan 0.000 0.538 318 L N -0.840 120.379 121.223 -0.006 0.000 2.342 318 L HA 0.780 5.118 4.340 -0.003 0.000 0.271 318 L C 0.689 177.678 176.870 0.199 0.000 1.008 318 L CA -0.176 54.740 54.840 0.126 0.000 0.818 318 L CB 2.189 44.359 42.059 0.186 0.000 1.296 318 L HN 0.266 nan 8.230 nan 0.000 0.427 319 G N 0.817 109.820 108.800 0.337 0.000 2.350 319 G HA2 0.437 4.396 3.960 -0.003 0.000 0.085 319 G HA3 0.437 4.396 3.960 -0.003 0.000 0.085 319 G C -0.386 174.713 174.900 0.333 0.000 1.159 319 G CA 0.274 45.570 45.100 0.326 0.000 1.146 319 G HN 1.301 nan 8.290 nan 0.000 0.449 320 G N -2.549 106.384 108.800 0.222 0.000 2.335 320 G HA2 0.475 4.433 3.960 -0.003 0.000 0.592 320 G HA3 0.475 4.433 3.960 -0.003 0.000 0.592 320 G C 0.479 175.487 174.900 0.180 0.000 1.442 320 G CA 0.552 45.766 45.100 0.191 0.000 0.976 320 G HN 1.424 nan 8.290 nan 0.000 0.652 321 T N 0.180 114.795 114.554 0.102 0.000 2.701 321 T HA -0.074 4.274 4.350 -0.003 0.000 0.263 321 T C 1.890 176.765 174.700 0.293 0.000 1.040 321 T CA 2.539 64.696 62.100 0.095 0.000 1.147 321 T CB -0.222 68.558 68.868 -0.146 0.000 0.865 321 T HN 0.455 nan 8.240 nan 0.000 0.426 322 Y N 1.273 121.731 120.300 0.264 0.000 2.517 322 Y HA 0.384 4.933 4.550 -0.003 0.000 0.281 322 Y C 1.869 177.933 175.900 0.274 0.000 1.125 322 Y CA -1.173 57.098 58.100 0.285 0.000 1.283 322 Y CB -0.843 37.717 38.460 0.167 0.000 1.042 322 Y HN 0.153 nan 8.280 nan 0.000 0.547 323 G N -0.028 109.009 108.800 0.395 0.000 2.391 323 G HA2 0.296 4.254 3.960 -0.003 0.000 0.234 323 G HA3 0.296 4.254 3.960 -0.003 0.000 0.234 323 G C 1.033 176.089 174.900 0.260 0.000 1.284 323 G CA 0.288 45.551 45.100 0.272 0.000 0.873 323 G HN 0.676 nan 8.290 nan 0.000 0.549 324 G N 1.147 110.001 108.800 0.090 0.000 2.295 324 G HA2 -0.323 3.635 3.960 -0.003 0.000 0.287 324 G HA3 -0.323 3.635 3.960 -0.003 0.000 0.287 324 G C 0.529 175.620 174.900 0.317 0.000 1.055 324 G CA 0.296 45.417 45.100 0.034 0.000 0.922 324 G HN 1.094 nan 8.290 nan 0.000 0.503 325 N N 0.605 119.449 118.700 0.240 0.000 2.412 325 N HA 0.069 4.807 4.740 -0.003 0.000 0.254 325 N C -0.211 175.375 175.510 0.127 0.000 1.232 325 N CA -0.385 52.801 53.050 0.227 0.000 0.880 325 N CB 1.164 39.724 38.487 0.122 0.000 1.076 325 N HN 0.163 nan 8.380 nan 0.000 0.458 326 P HA -0.073 nan 4.420 nan 0.000 0.221 326 P C 1.571 178.767 177.300 -0.175 0.000 1.150 326 P CA 1.034 64.022 63.100 -0.186 0.000 0.800 326 P CB 0.329 31.611 31.700 -0.697 0.000 0.787 327 I N 0.274 120.747 120.570 -0.161 0.000 2.202 327 I HA -0.181 3.988 4.170 -0.003 0.000 0.242 327 I C 2.642 178.709 176.117 -0.085 0.000 1.091 327 I CA 1.386 62.606 61.300 -0.134 0.000 1.368 327 I CB -0.894 37.035 38.000 -0.117 0.000 1.058 327 I HN -0.102 nan 8.210 nan 0.000 0.410 328 A N -0.027 122.757 122.820 -0.059 0.000 1.902 328 A HA -0.238 4.080 4.320 -0.003 0.000 0.217 328 A C 2.446 179.996 177.584 -0.056 0.000 1.181 328 A CA 1.888 53.892 52.037 -0.055 0.000 0.623 328 A CB -1.258 17.718 19.000 -0.041 0.000 0.818 328 A HN 0.551 nan 8.150 nan 0.000 0.443 329 C N -1.099 118.184 119.300 -0.028 0.000 2.429 329 C HA 0.048 4.506 4.460 -0.003 0.000 0.277 329 C C 3.324 178.297 174.990 -0.030 0.000 1.262 329 C CA 0.740 59.744 59.018 -0.023 0.000 1.733 329 C CB -1.378 26.398 27.740 0.061 0.000 2.010 329 C HN 0.713 nan 8.230 nan 0.000 0.483 330 A N 0.675 123.472 122.820 -0.038 0.000 1.908 330 A HA -0.015 4.303 4.320 -0.003 0.000 0.218 330 A C 2.379 179.934 177.584 -0.048 0.000 1.181 330 A CA 2.267 54.277 52.037 -0.044 0.000 0.627 330 A CB -0.977 17.980 19.000 -0.071 0.000 0.818 330 A HN 0.594 nan 8.150 nan 0.000 0.445 331 A N -0.206 122.577 122.820 -0.060 0.000 1.908 331 A HA 0.121 4.439 4.320 -0.003 0.000 0.218 331 A C 2.517 180.053 177.584 -0.079 0.000 1.181 331 A CA 2.255 54.253 52.037 -0.065 0.000 0.627 331 A CB -1.039 17.919 19.000 -0.071 0.000 0.818 331 A HN 1.102 nan 8.150 nan 0.000 0.445 332 A N -0.245 122.519 122.820 -0.094 0.000 1.902 332 A HA -0.040 4.278 4.320 -0.003 0.000 0.217 332 A C 2.174 179.711 177.584 -0.079 0.000 1.181 332 A CA 1.494 53.455 52.037 -0.128 0.000 0.623 332 A CB -0.636 18.280 19.000 -0.141 0.000 0.818 332 A HN 0.478 nan 8.150 nan 0.000 0.443 333 L N -0.761 120.437 121.223 -0.042 0.000 2.042 333 L HA -0.223 4.116 4.340 -0.003 0.000 0.210 333 L C 3.077 179.941 176.870 -0.011 0.000 1.076 333 L CA 1.197 56.030 54.840 -0.011 0.000 0.749 333 L CB -0.564 41.496 42.059 0.001 0.000 0.893 333 L HN 0.440 nan 8.230 nan 0.000 0.432 334 A N -0.714 122.092 122.820 -0.023 0.000 1.969 334 A HA -0.167 4.152 4.320 -0.003 0.000 0.218 334 A C 2.355 179.926 177.584 -0.021 0.000 1.169 334 A CA 2.121 54.147 52.037 -0.018 0.000 0.635 334 A CB -0.774 18.212 19.000 -0.023 0.000 0.810 334 A HN 0.381 nan 8.150 nan 0.000 0.445 335 T N 0.321 114.848 114.554 -0.044 0.000 2.708 335 T HA -0.082 4.266 4.350 -0.003 0.000 0.266 335 T C 1.791 176.482 174.700 -0.016 0.000 1.037 335 T CA 1.515 63.582 62.100 -0.056 0.000 1.146 335 T CB -0.377 68.412 68.868 -0.132 0.000 0.865 335 T HN 0.428 nan 8.240 nan 0.000 0.435 336 I N 1.478 122.051 120.570 0.005 0.000 2.226 336 I HA -0.164 4.004 4.170 -0.003 0.000 0.245 336 I C 3.212 179.358 176.117 0.048 0.000 1.100 336 I CA 1.766 63.110 61.300 0.073 0.000 1.374 336 I CB -0.615 37.449 38.000 0.107 0.000 1.057 336 I HN 0.356 nan 8.210 nan 0.000 0.413 337 E N 0.498 120.715 120.200 0.028 0.000 2.110 337 E HA -0.216 4.132 4.350 -0.003 0.000 0.193 337 E C 2.129 178.739 176.600 0.017 0.000 0.988 337 E CA 2.019 58.432 56.400 0.021 0.000 0.804 337 E CB -1.365 28.343 29.700 0.014 0.000 0.745 337 E HN 0.519 nan 8.360 nan 0.000 0.458 338 T N 0.445 115.006 114.554 0.012 0.000 2.737 338 T HA -0.029 4.319 4.350 -0.003 0.000 0.265 338 T C 2.133 176.842 174.700 0.013 0.000 1.038 338 T CA 1.232 63.338 62.100 0.011 0.000 1.144 338 T CB -0.314 68.557 68.868 0.006 0.000 0.866 338 T HN 0.439 nan 8.240 nan 0.000 0.434 339 I N 1.583 122.164 120.570 0.019 0.000 2.163 339 I HA -0.214 3.954 4.170 -0.003 0.000 0.243 339 I C 3.200 179.325 176.117 0.014 0.000 1.085 339 I CA 1.946 63.258 61.300 0.020 0.000 1.347 339 I CB -0.635 37.388 38.000 0.038 0.000 1.044 339 I HN 0.383 nan 8.210 nan 0.000 0.408 340 E N 0.665 120.876 120.200 0.019 0.000 2.028 340 E HA -0.228 4.120 4.350 -0.003 0.000 0.191 340 E C 2.254 178.861 176.600 0.011 0.000 0.988 340 E CA 1.646 58.055 56.400 0.015 0.000 0.799 340 E CB -1.021 28.691 29.700 0.020 0.000 0.755 340 E HN 0.659 nan 8.360 nan 0.000 0.447 341 S N 0.377 116.084 115.700 0.012 0.000 2.402 341 S HA -0.106 4.363 4.470 -0.003 0.000 0.229 341 S C 1.447 176.052 174.600 0.008 0.000 1.021 341 S CA 1.370 59.575 58.200 0.009 0.000 0.974 341 S CB 0.102 63.307 63.200 0.009 0.000 0.800 341 S HN 0.467 nan 8.310 nan 0.000 0.484 342 E N 1.094 121.299 120.200 0.008 0.000 2.463 342 E HA 0.263 4.611 4.350 -0.003 0.000 0.193 342 E C 1.072 177.675 176.600 0.005 0.000 1.041 342 E CA 0.370 56.775 56.400 0.007 0.000 0.879 342 E CB -0.227 29.479 29.700 0.010 0.000 0.997 342 E HN 0.661 nan 8.360 nan 0.000 0.478 343 G N 2.232 111.034 108.800 0.003 0.000 2.366 343 G HA2 -0.288 3.670 3.960 -0.003 0.000 0.299 343 G HA3 -0.288 3.670 3.960 -0.003 0.000 0.299 343 G C 0.794 175.692 174.900 -0.002 0.000 1.020 343 G CA 0.487 45.587 45.100 0.000 0.000 1.026 343 G HN 0.357 nan 8.290 nan 0.000 0.512 344 L N -0.841 120.380 121.223 -0.003 0.000 2.313 344 L HA -0.038 4.301 4.340 -0.003 0.000 0.214 344 L C 2.827 179.688 176.870 -0.015 0.000 1.119 344 L CA 0.702 55.539 54.840 -0.006 0.000 0.809 344 L CB -0.338 41.719 42.059 -0.002 0.000 0.933 344 L HN 0.354 nan 8.230 nan 0.000 0.449 345 V N 0.420 120.321 119.914 -0.022 0.000 2.295 345 V HA -0.291 3.828 4.120 -0.003 0.000 0.246 345 V C 2.804 178.887 176.094 -0.018 0.000 1.049 345 V CA 1.911 64.192 62.300 -0.031 0.000 1.024 345 V CB -0.796 31.003 31.823 -0.039 0.000 0.648 345 V HN 0.486 nan 8.190 nan 0.000 0.447 346 A N 0.287 123.100 122.820 -0.012 0.000 1.940 346 A HA -0.276 4.042 4.320 -0.003 0.000 0.219 346 A C 2.288 179.869 177.584 -0.006 0.000 1.176 346 A CA 2.211 54.244 52.037 -0.007 0.000 0.631 346 A CB -0.561 18.437 19.000 -0.004 0.000 0.814 346 A HN 0.462 nan 8.150 nan 0.000 0.446 347 R N 0.320 120.817 120.500 -0.006 0.000 2.091 347 R HA -0.060 4.279 4.340 -0.003 0.000 0.238 347 R C 2.100 178.397 176.300 -0.005 0.000 1.136 347 R CA 1.991 58.089 56.100 -0.004 0.000 0.959 347 R CB -0.940 29.359 30.300 -0.002 0.000 0.856 347 R HN 0.398 nan 8.270 nan 0.000 0.437 348 A N 0.207 123.022 122.820 -0.009 0.000 1.933 348 A HA -0.203 4.115 4.320 -0.003 0.000 0.218 348 A C 2.072 179.651 177.584 -0.009 0.000 1.175 348 A CA 1.612 53.643 52.037 -0.010 0.000 0.628 348 A CB -0.479 18.509 19.000 -0.019 0.000 0.814 348 A HN 0.562 nan 8.150 nan 0.000 0.444 349 Q N -0.631 119.164 119.800 -0.008 0.000 2.124 349 Q HA -0.229 4.110 4.340 -0.003 0.000 0.202 349 Q C 2.260 178.257 176.000 -0.005 0.000 0.977 349 Q CA 1.719 57.519 55.803 -0.004 0.000 0.850 349 Q CB -0.214 28.524 28.738 0.001 0.000 0.901 349 Q HN 0.787 nan 8.270 nan 0.000 0.429 350 Q N 0.216 120.013 119.800 -0.006 0.000 2.119 350 Q HA -0.118 4.220 4.340 -0.003 0.000 0.201 350 Q C 2.007 178.001 176.000 -0.011 0.000 0.972 350 Q CA 1.013 56.812 55.803 -0.007 0.000 0.847 350 Q CB -0.026 28.709 28.738 -0.006 0.000 0.903 350 Q HN 0.421 nan 8.270 nan 0.000 0.433 351 I N 0.640 121.205 120.570 -0.009 0.000 2.353 351 I HA -0.235 3.933 4.170 -0.003 0.000 0.248 351 I C 2.466 178.573 176.117 -0.017 0.000 1.119 351 I CA 0.931 62.224 61.300 -0.012 0.000 1.417 351 I CB -0.171 37.828 38.000 -0.001 0.000 1.078 351 I HN 0.289 nan 8.210 nan 0.000 0.421 352 E N 1.575 121.768 120.200 -0.012 0.000 2.058 352 E HA -0.316 4.033 4.350 -0.003 0.000 0.194 352 E C 2.223 178.810 176.600 -0.022 0.000 0.997 352 E CA 1.524 57.916 56.400 -0.014 0.000 0.801 352 E CB 0.015 29.708 29.700 -0.010 0.000 0.746 352 E HN 0.319 nan 8.360 nan 0.000 0.450 353 K N 0.340 120.729 120.400 -0.018 0.000 2.057 353 K HA -0.152 4.166 4.320 -0.003 0.000 0.207 353 K C 2.201 178.782 176.600 -0.032 0.000 1.049 353 K CA 1.502 57.777 56.287 -0.020 0.000 0.931 353 K CB -0.134 32.358 32.500 -0.014 0.000 0.714 353 K HN 0.177 nan 8.250 nan 0.000 0.440 354 I N 0.734 121.282 120.570 -0.037 0.000 2.179 354 I HA -0.318 3.850 4.170 -0.003 0.000 0.242 354 I C 2.535 178.605 176.117 -0.079 0.000 1.088 354 I CA 1.355 62.624 61.300 -0.050 0.000 1.357 354 I CB -0.152 37.820 38.000 -0.046 0.000 1.051 354 I HN 0.269 nan 8.210 nan 0.000 0.409 355 M N -0.065 119.479 119.600 -0.094 0.000 2.156 355 M HA -0.177 4.302 4.480 -0.003 0.000 0.264 355 M C 2.277 178.497 176.300 -0.132 0.000 1.067 355 M CA 1.693 56.899 55.300 -0.157 0.000 1.131 355 M CB -0.423 32.080 32.600 -0.162 0.000 1.368 355 M HN 0.115 nan 8.290 nan 0.000 0.416 356 K N 0.144 120.498 120.400 -0.076 0.000 2.148 356 K HA -0.132 4.186 4.320 -0.003 0.000 0.204 356 K C 1.459 178.027 176.600 -0.053 0.000 1.050 356 K CA 1.084 57.338 56.287 -0.055 0.000 0.942 356 K CB -0.106 32.377 32.500 -0.030 0.000 0.724 356 K HN 0.232 nan 8.250 nan 0.000 0.446 357 D N 0.524 120.893 120.400 -0.052 0.000 2.084 357 D HA -0.125 4.513 4.640 -0.003 0.000 0.194 357 D C 2.052 178.319 176.300 -0.056 0.000 0.990 357 D CA 1.042 55.015 54.000 -0.045 0.000 0.826 357 D CB 0.013 40.790 40.800 -0.038 0.000 0.971 357 D HN 0.033 nan 8.370 nan 0.000 0.453 358 R N 0.299 120.751 120.500 -0.079 0.000 2.070 358 R HA -0.015 4.323 4.340 -0.003 0.000 0.233 358 R C 2.607 178.852 176.300 -0.092 0.000 1.137 358 R CA 0.530 56.577 56.100 -0.089 0.000 0.945 358 R CB -1.025 29.202 30.300 -0.122 0.000 0.845 358 R HN 0.308 nan 8.270 nan 0.000 0.430 359 L N -0.364 120.790 121.223 -0.116 0.000 2.141 359 L HA -0.031 4.308 4.340 -0.003 0.000 0.209 359 L C 2.514 179.350 176.870 -0.056 0.000 1.094 359 L CA 1.211 55.994 54.840 -0.096 0.000 0.763 359 L CB -0.837 41.154 42.059 -0.114 0.000 0.908 359 L HN 0.300 nan 8.230 nan 0.000 0.437 360 G N 0.075 108.845 108.800 -0.050 0.000 2.418 360 G HA2 -0.321 3.637 3.960 -0.003 0.000 0.217 360 G HA3 -0.321 3.637 3.960 -0.003 0.000 0.217 360 G C 1.996 176.879 174.900 -0.028 0.000 1.158 360 G CA 1.201 46.281 45.100 -0.033 0.000 0.771 360 G HN 0.377 nan 8.290 nan 0.000 0.545 361 R N -0.046 120.434 120.500 -0.032 0.000 2.081 361 R HA 0.175 4.513 4.340 -0.003 0.000 0.235 361 R C 2.454 178.739 176.300 -0.024 0.000 1.131 361 R CA 1.605 57.689 56.100 -0.026 0.000 0.960 361 R CB -1.197 29.086 30.300 -0.028 0.000 0.856 361 R HN 0.337 nan 8.270 nan 0.000 0.436 362 L N 0.947 122.151 121.223 -0.031 0.000 2.012 362 L HA -0.188 4.150 4.340 -0.003 0.000 0.210 362 L C 2.841 179.699 176.870 -0.019 0.000 1.073 362 L CA 2.561 57.386 54.840 -0.025 0.000 0.748 362 L CB -0.583 41.458 42.059 -0.029 0.000 0.891 362 L HN 0.629 nan 8.230 nan 0.000 0.431 363 Q N -1.250 118.537 119.800 -0.022 0.000 2.124 363 Q HA -0.219 4.120 4.340 -0.003 0.000 0.202 363 Q C 2.101 178.093 176.000 -0.012 0.000 0.977 363 Q CA 1.658 57.450 55.803 -0.019 0.000 0.850 363 Q CB -0.135 28.589 28.738 -0.024 0.000 0.901 363 Q HN 0.577 nan 8.270 nan 0.000 0.429 364 A N 0.205 123.018 122.820 -0.012 0.000 2.019 364 A HA -0.168 4.151 4.320 -0.003 0.000 0.219 364 A C 1.899 179.479 177.584 -0.007 0.000 1.164 364 A CA 1.891 53.923 52.037 -0.008 0.000 0.644 364 A CB -0.788 18.206 19.000 -0.009 0.000 0.805 364 A HN 0.633 nan 8.150 nan 0.000 0.449 365 E N -1.063 119.131 120.200 -0.009 0.000 2.452 365 E HA 0.147 4.496 4.350 -0.003 0.000 0.197 365 E C 0.079 176.676 176.600 -0.006 0.000 1.022 365 E CA 0.532 56.927 56.400 -0.008 0.000 0.890 365 E CB 0.075 29.769 29.700 -0.009 0.000 0.918 365 E HN 0.463 nan 8.360 nan 0.000 0.496 366 D N 0.071 120.467 120.400 -0.006 0.000 2.479 366 D HA 0.107 4.745 4.640 -0.003 0.000 0.246 366 D C -0.605 175.693 176.300 -0.003 0.000 1.336 366 D CA -0.208 53.789 54.000 -0.005 0.000 0.967 366 D CB 1.330 42.127 40.800 -0.006 0.000 1.275 366 D HN 0.125 nan 8.370 nan 0.000 0.577 367 D N 2.371 122.772 120.400 0.001 0.000 2.363 367 D HA -0.075 4.563 4.640 -0.003 0.000 0.226 367 D C 1.212 177.519 176.300 0.011 0.000 1.020 367 D CA 0.220 54.224 54.000 0.007 0.000 0.892 367 D CB -0.026 40.779 40.800 0.008 0.000 0.900 367 D HN 0.316 nan 8.370 nan 0.000 0.531 368 R N -0.037 120.466 120.500 0.005 0.000 2.280 368 R HA 0.196 4.534 4.340 -0.003 0.000 0.207 368 R C 0.468 176.768 176.300 -0.000 0.000 1.043 368 R CA 0.228 56.332 56.100 0.007 0.000 1.006 368 R CB 0.012 30.313 30.300 0.002 0.000 0.885 368 R HN 0.254 nan 8.270 nan 0.000 0.467 369 I N 0.853 121.417 120.570 -0.011 0.000 2.291 369 I HA 0.069 4.237 4.170 -0.003 0.000 0.292 369 I C 1.367 177.449 176.117 -0.059 0.000 1.064 369 I CA -0.182 61.096 61.300 -0.036 0.000 1.269 369 I CB 1.632 39.614 38.000 -0.031 0.000 1.418 369 I HN 0.141 nan 8.210 nan 0.000 0.485 370 G N 4.281 113.010 108.800 -0.117 0.000 2.426 370 G HA2 -0.074 3.885 3.960 -0.003 0.000 0.214 370 G HA3 -0.074 3.885 3.960 -0.003 0.000 0.214 370 G C 0.111 174.753 174.900 -0.429 0.000 1.156 370 G CA 0.478 45.479 45.100 -0.164 0.000 0.802 370 G HN 0.558 nan 8.290 nan 0.000 0.534 371 D N -1.440 118.642 120.400 -0.530 0.000 2.837 371 D HA 0.471 5.109 4.640 -0.003 0.000 0.220 371 D C -1.321 174.849 176.300 -0.217 0.000 1.236 371 D CA -0.414 53.315 54.000 -0.452 0.000 0.838 371 D CB 2.307 42.612 40.800 -0.825 0.000 1.647 371 D HN -0.090 nan 8.370 nan 0.000 0.486 372 V N 3.890 123.737 119.914 -0.110 0.000 2.483 372 V HA 0.723 4.842 4.120 -0.003 0.000 0.297 372 V C -0.218 175.868 176.094 -0.014 0.000 1.027 372 V CA -0.581 61.693 62.300 -0.043 0.000 0.855 372 V CB 1.509 33.314 31.823 -0.031 0.000 0.995 372 V HN 0.678 nan 8.190 nan 0.000 0.424 373 R N 3.245 123.758 120.500 0.022 0.000 2.734 373 R HA 0.940 5.278 4.340 -0.003 0.000 0.271 373 R C -0.142 176.204 176.300 0.076 0.000 1.021 373 R CA -0.280 55.842 56.100 0.037 0.000 0.893 373 R CB 2.138 32.460 30.300 0.036 0.000 1.244 373 R HN 1.298 nan 8.270 nan 0.000 0.464 374 G N 0.503 109.322 108.800 0.032 0.000 2.331 374 G HA2 0.110 4.068 3.960 -0.003 0.000 0.402 374 G HA3 0.110 4.068 3.960 -0.003 0.000 0.402 374 G C -1.609 173.260 174.900 -0.051 0.000 1.275 374 G CA -0.963 44.139 45.100 0.004 0.000 1.003 374 G HN 0.634 nan 8.290 nan 0.000 0.500 375 R N -0.743 119.706 120.500 -0.084 0.000 2.740 375 R HA 0.643 4.981 4.340 -0.003 0.000 0.273 375 R C 0.804 177.066 176.300 -0.064 0.000 0.998 375 R CA 0.048 56.093 56.100 -0.091 0.000 0.900 375 R CB 1.666 31.872 30.300 -0.157 0.000 1.223 375 R HN 2.455 nan 8.270 nan 0.000 0.466 376 G N 1.190 109.966 108.800 -0.040 0.000 2.583 376 G HA2 -0.382 3.576 3.960 -0.003 0.000 0.292 376 G HA3 -0.382 3.576 3.960 -0.003 0.000 0.292 376 G C 0.206 175.102 174.900 -0.006 0.000 1.203 376 G CA 0.367 45.450 45.100 -0.027 0.000 0.987 376 G HN 0.762 nan 8.290 nan 0.000 0.554 377 A N -0.554 122.265 122.820 -0.001 0.000 2.684 377 A HA 0.694 5.012 4.320 -0.003 0.000 0.288 377 A C 0.711 178.336 177.584 0.068 0.000 1.337 377 A CA 1.077 53.137 52.037 0.038 0.000 0.946 377 A CB -0.231 18.787 19.000 0.031 0.000 1.093 377 A HN 1.091 nan 8.150 nan 0.000 0.543 378 M N 1.530 121.148 119.600 0.030 0.000 2.066 378 M HA 0.425 4.903 4.480 -0.003 0.000 0.264 378 M C -2.026 174.361 176.300 0.145 0.000 0.886 378 M CA -0.274 55.014 55.300 -0.019 0.000 0.810 378 M CB 0.197 32.577 32.600 -0.366 0.000 1.451 378 M HN 0.075 nan 8.290 nan 0.000 0.373 379 I N 2.190 123.023 120.570 0.439 0.000 2.569 379 I HA 0.851 5.019 4.170 -0.003 0.000 0.296 379 I C -0.305 176.110 176.117 0.498 0.000 1.028 379 I CA -0.632 60.900 61.300 0.386 0.000 1.082 379 I CB 1.649 39.770 38.000 0.201 0.000 1.264 379 I HN 0.641 nan 8.210 nan 0.000 0.429 380 A N 6.615 129.637 122.820 0.337 0.000 2.556 380 A HA 0.934 5.253 4.320 -0.003 0.000 0.294 380 A C -0.851 176.803 177.584 0.117 0.000 1.091 380 A CA -0.693 51.438 52.037 0.156 0.000 0.704 380 A CB 2.390 21.337 19.000 -0.088 0.000 1.300 380 A HN 0.741 nan 8.150 nan 0.000 0.406 381 M N 0.126 119.772 119.600 0.076 0.000 2.393 381 M HA 0.740 5.218 4.480 -0.003 0.000 0.316 381 M C -0.699 175.567 176.300 -0.056 0.000 1.087 381 M CA -0.319 54.987 55.300 0.010 0.000 0.937 381 M CB 1.907 34.540 32.600 0.054 0.000 1.668 381 M HN 0.709 nan 8.290 nan 0.000 0.438 382 E N 3.609 123.739 120.200 -0.118 0.000 2.134 382 E HA 0.533 4.881 4.350 -0.003 0.000 0.278 382 E C -1.668 174.876 176.600 -0.093 0.000 0.959 382 E CA -0.617 55.716 56.400 -0.112 0.000 0.783 382 E CB 1.283 30.878 29.700 -0.175 0.000 1.095 382 E HN 0.801 nan 8.360 nan 0.000 0.399 383 L N 5.302 126.510 121.223 -0.024 0.000 2.289 383 L HA 0.541 4.879 4.340 -0.003 0.000 0.285 383 L C -0.221 176.671 176.870 0.037 0.000 1.049 383 L CA -0.884 53.955 54.840 -0.003 0.000 0.804 383 L CB 1.152 43.208 42.059 -0.005 0.000 1.195 383 L HN 0.427 nan 8.230 nan 0.000 0.428 384 V N -0.492 119.448 119.914 0.043 0.000 3.159 384 V HA 0.560 4.679 4.120 -0.003 0.000 0.308 384 V C -0.629 175.486 176.094 0.036 0.000 1.190 384 V CA -1.331 61.008 62.300 0.065 0.000 1.037 384 V CB 1.940 33.844 31.823 0.136 0.000 1.060 384 V HN 0.483 nan 8.190 nan 0.000 0.437 385 K N 2.009 122.423 120.400 0.023 0.000 2.412 385 K HA 0.492 4.810 4.320 -0.003 0.000 0.281 385 K C 0.543 177.151 176.600 0.013 0.000 1.027 385 K CA 0.677 56.969 56.287 0.009 0.000 0.989 385 K CB 0.808 33.306 32.500 -0.004 0.000 0.935 385 K HN 1.261 nan 8.250 nan 0.000 0.475 386 A N 1.729 124.555 122.820 0.009 0.000 2.580 386 A HA 0.298 4.616 4.320 -0.003 0.000 0.244 386 A C 1.358 178.946 177.584 0.006 0.000 1.045 386 A CA 1.068 53.111 52.037 0.010 0.000 0.761 386 A CB -0.744 18.258 19.000 0.004 0.000 0.962 386 A HN 0.972 nan 8.150 nan 0.000 0.512 387 G N 1.577 110.384 108.800 0.012 0.000 2.159 387 G HA2 -0.074 3.884 3.960 -0.003 0.000 0.256 387 G HA3 -0.074 3.884 3.960 -0.003 0.000 0.256 387 G C 0.531 175.423 174.900 -0.012 0.000 0.977 387 G CA 1.172 46.272 45.100 0.001 0.000 0.652 387 G HN 2.578 nan 8.290 nan 0.000 0.531 388 T N -4.062 110.489 114.554 -0.005 0.000 2.804 388 T HA 0.683 5.031 4.350 -0.003 0.000 0.290 388 T C 0.849 175.536 174.700 -0.021 0.000 1.099 388 T CA 0.855 62.933 62.100 -0.036 0.000 1.011 388 T CB 1.561 70.404 68.868 -0.043 0.000 1.291 388 T HN 1.018 nan 8.240 nan 0.000 0.523 389 T N -1.957 112.536 114.554 -0.101 0.000 3.176 389 T HA 0.327 4.675 4.350 -0.003 0.000 0.263 389 T C 0.016 174.664 174.700 -0.086 0.000 1.021 389 T CA -0.463 61.561 62.100 -0.126 0.000 0.905 389 T CB -0.554 68.067 68.868 -0.412 0.000 1.057 389 T HN 0.702 nan 8.240 nan 0.000 0.558 390 E N 3.395 123.557 120.200 -0.063 0.000 2.299 390 E HA 0.223 4.571 4.350 -0.003 0.000 0.272 390 E C -2.514 174.069 176.600 -0.028 0.000 1.043 390 E CA -2.063 54.293 56.400 -0.072 0.000 0.895 390 E CB 0.438 30.104 29.700 -0.056 0.000 1.011 390 E HN 0.301 nan 8.360 nan 0.000 0.432 391 P HA -0.063 nan 4.420 nan 0.000 0.266 391 P C -0.621 176.695 177.300 0.027 0.000 1.195 391 P CA 0.208 63.321 63.100 0.020 0.000 0.768 391 P CB 0.481 32.198 31.700 0.029 0.000 0.838 392 D N 2.019 122.444 120.400 0.040 0.000 2.434 392 D HA 0.319 4.957 4.640 -0.003 0.000 0.275 392 D C 0.946 177.261 176.300 0.025 0.000 1.172 392 D CA -0.572 53.442 54.000 0.025 0.000 0.916 392 D CB 0.335 41.144 40.800 0.014 0.000 1.041 392 D HN 0.202 nan 8.370 nan 0.000 0.501 393 A N 2.565 125.405 122.820 0.035 0.000 2.015 393 A HA -0.135 4.183 4.320 -0.003 0.000 0.219 393 A C 1.681 179.268 177.584 0.004 0.000 1.163 393 A CA 1.058 53.111 52.037 0.027 0.000 0.646 393 A CB 0.053 19.079 19.000 0.044 0.000 0.806 393 A HN 0.356 nan 8.150 nan 0.000 0.448 394 D N -0.314 120.088 120.400 0.004 0.000 2.097 394 D HA -0.130 4.509 4.640 -0.003 0.000 0.195 394 D C 1.817 178.107 176.300 -0.015 0.000 0.989 394 D CA 1.188 55.184 54.000 -0.006 0.000 0.827 394 D CB -0.430 40.368 40.800 -0.004 0.000 0.966 394 D HN 0.350 nan 8.370 nan 0.000 0.456 395 L N 0.853 122.069 121.223 -0.013 0.000 2.046 395 L HA -0.126 4.212 4.340 -0.003 0.000 0.208 395 L C 2.097 178.947 176.870 -0.033 0.000 1.077 395 L CA 1.719 56.547 54.840 -0.020 0.000 0.747 395 L CB -0.968 41.084 42.059 -0.013 0.000 0.896 395 L HN -0.041 nan 8.230 nan 0.000 0.432 396 T N -0.347 114.188 114.554 -0.031 0.000 2.684 396 T HA -0.224 4.125 4.350 -0.003 0.000 0.267 396 T C 1.894 176.552 174.700 -0.070 0.000 1.036 396 T CA 1.902 63.971 62.100 -0.052 0.000 1.148 396 T CB -0.180 68.663 68.868 -0.043 0.000 0.863 396 T HN 0.355 nan 8.240 nan 0.000 0.436 397 K N 0.978 121.346 120.400 -0.054 0.000 2.057 397 K HA 0.040 4.358 4.320 -0.003 0.000 0.207 397 K C 2.674 179.226 176.600 -0.079 0.000 1.049 397 K CA 1.161 57.411 56.287 -0.060 0.000 0.931 397 K CB -0.274 32.205 32.500 -0.035 0.000 0.714 397 K HN 0.287 nan 8.250 nan 0.000 0.440 398 A N 1.297 124.079 122.820 -0.063 0.000 1.898 398 A HA -0.145 4.173 4.320 -0.003 0.000 0.216 398 A C 2.064 179.593 177.584 -0.091 0.000 1.181 398 A CA 1.049 53.047 52.037 -0.065 0.000 0.620 398 A CB -0.467 18.507 19.000 -0.043 0.000 0.819 398 A HN 0.194 nan 8.150 nan 0.000 0.442 399 L N -0.096 121.072 121.223 -0.091 0.000 2.017 399 L HA -0.166 4.172 4.340 -0.003 0.000 0.208 399 L C 2.508 179.271 176.870 -0.178 0.000 1.073 399 L CA 2.048 56.827 54.840 -0.101 0.000 0.745 399 L CB -0.995 41.019 42.059 -0.075 0.000 0.894 399 L HN 0.494 nan 8.230 nan 0.000 0.432 400 C N -0.831 118.326 119.300 -0.237 0.000 2.446 400 C HA -0.075 4.383 4.460 -0.003 0.000 0.277 400 C C 2.975 177.492 174.990 -0.790 0.000 1.275 400 C CA 0.563 59.308 59.018 -0.454 0.000 1.727 400 C CB -1.575 25.969 27.740 -0.327 0.000 2.010 400 C HN 0.698 nan 8.230 nan 0.000 0.486 401 A N 0.926 123.487 122.820 -0.430 0.000 1.908 401 A HA 0.025 4.343 4.320 -0.003 0.000 0.218 401 A C 2.393 179.861 177.584 -0.193 0.000 1.181 401 A CA 2.182 54.054 52.037 -0.276 0.000 0.627 401 A CB -1.254 17.684 19.000 -0.102 0.000 0.818 401 A HN 0.559 nan 8.150 nan 0.000 0.445 402 G N -0.605 108.099 108.800 -0.160 0.000 2.418 402 G HA2 0.016 3.974 3.960 -0.003 0.000 0.217 402 G HA3 0.016 3.974 3.960 -0.003 0.000 0.217 402 G C 1.767 176.620 174.900 -0.078 0.000 1.158 402 G CA 1.462 46.508 45.100 -0.089 0.000 0.771 402 G HN 0.803 nan 8.290 nan 0.000 0.545 403 A N 0.715 123.458 122.820 -0.128 0.000 1.883 403 A HA -0.092 4.226 4.320 -0.003 0.000 0.217 403 A C 2.047 179.649 177.584 0.030 0.000 1.186 403 A CA 1.879 53.881 52.037 -0.058 0.000 0.624 403 A CB -0.868 18.090 19.000 -0.070 0.000 0.822 403 A HN 0.611 nan 8.150 nan 0.000 0.444 404 H N -0.653 118.406 119.070 -0.018 0.000 2.353 404 H HA -0.023 4.532 4.556 -0.003 0.000 0.300 404 H C 2.470 177.790 175.328 -0.013 0.000 1.090 404 H CA 0.743 56.780 56.048 -0.019 0.000 1.327 404 H CB -0.065 29.682 29.762 -0.024 0.000 1.383 404 H HN 0.560 nan 8.280 nan 0.000 0.508 405 A N 1.117 123.998 122.820 0.101 0.000 2.024 405 A HA -0.053 4.266 4.320 -0.003 0.000 0.220 405 A C 2.252 179.854 177.584 0.030 0.000 1.164 405 A CA 1.361 53.427 52.037 0.049 0.000 0.643 405 A CB -0.495 18.517 19.000 0.021 0.000 0.806 405 A HN 0.466 nan 8.150 nan 0.000 0.451 406 A N -1.636 121.202 122.820 0.030 0.000 2.379 406 A HA 0.462 4.780 4.320 -0.003 0.000 0.236 406 A C 1.446 179.046 177.584 0.027 0.000 1.272 406 A CA 0.860 52.908 52.037 0.019 0.000 0.886 406 A CB -0.998 18.010 19.000 0.013 0.000 0.962 406 A HN 1.864 nan 8.150 nan 0.000 0.504 407 G N -1.037 107.787 108.800 0.040 0.000 2.212 407 G HA2 -0.131 3.827 3.960 -0.003 0.000 0.255 407 G HA3 -0.131 3.827 3.960 -0.003 0.000 0.255 407 G C -0.167 174.762 174.900 0.048 0.000 1.062 407 G CA 0.205 45.326 45.100 0.036 0.000 0.815 407 G HN 0.933 nan 8.290 nan 0.000 0.497 408 V N 1.030 120.989 119.914 0.075 0.000 2.483 408 V HA 0.496 4.614 4.120 -0.003 0.000 0.297 408 V C 0.619 176.790 176.094 0.128 0.000 1.027 408 V CA -0.902 61.449 62.300 0.085 0.000 0.855 408 V CB 1.801 33.673 31.823 0.083 0.000 0.995 408 V HN 0.329 nan 8.190 nan 0.000 0.424 409 I N 5.402 126.010 120.570 0.064 0.000 2.363 409 I HA 0.356 4.524 4.170 -0.003 0.000 0.292 409 I C -0.206 175.943 176.117 0.053 0.000 1.075 409 I CA 0.168 61.481 61.300 0.022 0.000 1.333 409 I CB 1.067 39.041 38.000 -0.044 0.000 1.415 409 I HN 0.368 nan 8.210 nan 0.000 0.502 410 V N 8.152 128.135 119.914 0.116 0.000 2.841 410 V HA 0.565 4.684 4.120 -0.003 0.000 0.310 410 V C -0.613 175.486 176.094 0.008 0.000 1.090 410 V CA -0.533 61.764 62.300 -0.005 0.000 0.930 410 V CB 2.356 34.137 31.823 -0.069 0.000 1.014 410 V HN 0.526 nan 8.190 nan 0.000 0.425 411 L N 4.776 125.912 121.223 -0.146 0.000 2.313 411 L HA 0.808 5.146 4.340 -0.003 0.000 0.268 411 L C 0.220 176.949 176.870 -0.235 0.000 1.010 411 L CA -0.493 54.264 54.840 -0.139 0.000 0.814 411 L CB 2.179 44.153 42.059 -0.141 0.000 1.304 411 L HN 0.802 nan 8.230 nan 0.000 0.441 412 S N -0.552 115.042 115.700 -0.178 0.000 2.726 412 S HA 0.882 5.350 4.470 -0.003 0.000 0.308 412 S C -0.444 174.043 174.600 -0.188 0.000 1.115 412 S CA -0.577 57.502 58.200 -0.202 0.000 0.965 412 S CB 2.023 65.143 63.200 -0.134 0.000 1.145 412 S HN 0.955 nan 8.310 nan 0.000 0.532 413 C N -2.123 117.069 119.300 -0.180 0.000 3.266 413 C HA 1.006 5.464 4.460 -0.003 0.000 0.369 413 C C 0.177 175.120 174.990 -0.079 0.000 1.580 413 C CA -0.066 58.873 59.018 -0.132 0.000 1.165 413 C CB 0.300 27.929 27.740 -0.185 0.000 1.835 413 C HN 2.580 nan 8.230 nan 0.000 0.433 414 G N -0.198 108.580 108.800 -0.037 0.000 2.640 414 G HA2 0.308 4.267 3.960 -0.003 0.000 0.686 414 G HA3 0.308 4.267 3.960 -0.003 0.000 0.686 414 G C -0.075 174.818 174.900 -0.011 0.000 1.229 414 G CA 0.176 45.271 45.100 -0.007 0.000 0.796 414 G HN 1.577 nan 8.290 nan 0.000 0.654 415 T N 0.542 115.064 114.554 -0.053 0.000 2.737 415 T HA -0.147 4.201 4.350 -0.003 0.000 0.269 415 T C 1.584 176.040 174.700 -0.407 0.000 1.040 415 T CA 2.698 64.655 62.100 -0.238 0.000 1.142 415 T CB -0.203 68.488 68.868 -0.295 0.000 0.861 415 T HN 0.507 nan 8.240 nan 0.000 0.456 416 Y N -0.049 120.333 120.300 0.137 0.000 2.555 416 Y HA 0.466 5.014 4.550 -0.003 0.000 0.259 416 Y C 1.684 177.617 175.900 0.055 0.000 1.179 416 Y CA -0.804 57.354 58.100 0.097 0.000 1.230 416 Y CB -0.187 38.343 38.460 0.118 0.000 1.146 416 Y HN 0.236 nan 8.280 nan 0.000 0.526 417 G N 1.906 110.770 108.800 0.106 0.000 2.198 417 G HA2 -0.353 3.606 3.960 -0.003 0.000 0.260 417 G HA3 -0.353 3.606 3.960 -0.003 0.000 0.260 417 G C 0.393 175.319 174.900 0.043 0.000 1.025 417 G CA 0.646 45.774 45.100 0.047 0.000 0.769 417 G HN 0.535 nan 8.290 nan 0.000 0.507 418 N N -1.005 117.739 118.700 0.074 0.000 2.365 418 N HA 0.287 5.026 4.740 -0.003 0.000 0.257 418 N C -0.352 175.166 175.510 0.013 0.000 1.287 418 N CA 0.039 53.120 53.050 0.053 0.000 0.882 418 N CB 0.810 39.360 38.487 0.105 0.000 1.250 418 N HN 0.269 nan 8.380 nan 0.000 0.507 419 V N 0.908 120.799 119.914 -0.038 0.000 2.448 419 V HA 0.393 4.512 4.120 -0.003 0.000 0.295 419 V C -0.090 175.888 176.094 -0.193 0.000 1.025 419 V CA -0.898 61.340 62.300 -0.104 0.000 0.859 419 V CB 1.989 33.739 31.823 -0.121 0.000 0.988 419 V HN -0.037 nan 8.190 nan 0.000 0.431 420 V N 6.580 126.368 119.914 -0.209 0.000 2.383 420 V HA 0.493 4.611 4.120 -0.003 0.000 0.275 420 V C 0.380 176.166 176.094 -0.513 0.000 1.036 420 V CA -0.571 61.529 62.300 -0.335 0.000 0.889 420 V CB 1.139 32.810 31.823 -0.253 0.000 0.985 420 V HN 1.008 nan 8.190 nan 0.000 0.459 421 R N 3.603 123.676 120.500 -0.711 0.000 2.668 421 R HA 0.787 5.125 4.340 -0.003 0.000 0.279 421 R C -1.630 174.140 176.300 -0.884 0.000 0.976 421 R CA -0.676 54.933 56.100 -0.818 0.000 0.978 421 R CB 1.418 30.990 30.300 -1.213 0.000 1.133 421 R HN 0.370 nan 8.270 nan 0.000 0.484 422 F N 1.732 121.635 119.950 -0.079 0.000 2.499 422 F HA 0.412 4.940 4.527 0.001 0.000 0.333 422 F C -0.289 175.597 175.800 0.143 0.000 1.138 422 F CA -0.805 57.215 58.000 0.032 0.000 0.945 422 F CB 1.869 40.887 39.000 0.031 0.000 1.181 422 F HN 0.273 nan 8.300 nan 0.000 0.435 423 L N 5.763 127.114 121.223 0.214 0.000 2.783 423 L HA 0.305 4.643 4.340 -0.003 0.000 0.265 423 L C -2.428 174.511 176.870 0.115 0.000 1.398 423 L CA -1.675 53.273 54.840 0.179 0.000 0.802 423 L CB 0.741 42.892 42.059 0.154 0.000 1.126 423 L HN 0.260 nan 8.230 nan 0.000 0.529 424 P HA 0.158 nan 4.420 nan 0.000 0.272 424 P C -2.555 174.772 177.300 0.045 0.000 1.223 424 P CA -1.173 61.974 63.100 0.078 0.000 0.784 424 P CB -0.025 31.723 31.700 0.079 0.000 0.923 425 P HA 0.121 nan 4.420 nan 0.000 0.272 425 P C 0.962 178.265 177.300 0.005 0.000 1.223 425 P CA -0.046 63.056 63.100 0.003 0.000 0.784 425 P CB 0.789 32.478 31.700 -0.019 0.000 0.923 426 L N 1.313 122.537 121.223 0.002 0.000 2.465 426 L HA -0.097 4.241 4.340 -0.003 0.000 0.224 426 L C 2.166 179.037 176.870 0.002 0.000 1.145 426 L CA 1.241 56.083 54.840 0.003 0.000 0.834 426 L CB -0.806 41.253 42.059 0.000 0.000 0.944 426 L HN 0.440 nan 8.230 nan 0.000 0.451 427 S N -0.560 115.138 115.700 -0.003 0.000 2.562 427 S HA 0.027 4.495 4.470 -0.003 0.000 0.221 427 S C 0.860 175.460 174.600 0.000 0.000 0.975 427 S CA -0.292 57.908 58.200 -0.000 0.000 0.918 427 S CB -0.370 62.822 63.200 -0.013 0.000 0.772 427 S HN 0.301 nan 8.310 nan 0.000 0.531 428 I N 2.767 123.337 120.570 -0.001 0.000 2.710 428 I HA 0.323 4.492 4.170 -0.003 0.000 0.286 428 I C 0.962 177.083 176.117 0.007 0.000 1.181 428 I CA -0.142 61.160 61.300 0.004 0.000 1.430 428 I CB 0.384 38.390 38.000 0.009 0.000 1.367 428 I HN 0.292 nan 8.210 nan 0.000 0.577 429 G N 4.615 113.420 108.800 0.009 0.000 2.539 429 G HA2 0.046 4.004 3.960 -0.003 0.000 0.258 429 G HA3 0.046 4.004 3.960 -0.003 0.000 0.258 429 G C 0.436 175.339 174.900 0.004 0.000 1.202 429 G CA -0.349 44.756 45.100 0.008 0.000 0.851 429 G HN 0.752 nan 8.290 nan 0.000 0.556 430 D N 0.486 120.887 120.400 0.001 0.000 2.123 430 D HA -0.108 4.530 4.640 -0.003 0.000 0.196 430 D C 1.842 178.139 176.300 -0.005 0.000 0.992 430 D CA 1.186 55.183 54.000 -0.005 0.000 0.833 430 D CB 0.095 40.891 40.800 -0.007 0.000 0.954 430 D HN 0.376 nan 8.370 nan 0.000 0.455 431 D N -0.032 120.368 120.400 -0.001 0.000 2.117 431 D HA -0.062 4.576 4.640 -0.003 0.000 0.198 431 D C 2.319 178.622 176.300 0.004 0.000 0.982 431 D CA 0.303 54.303 54.000 0.001 0.000 0.828 431 D CB -0.304 40.498 40.800 0.003 0.000 0.967 431 D HN 0.200 nan 8.370 nan 0.000 0.464 432 L N 0.152 121.380 121.223 0.008 0.000 2.046 432 L HA -0.150 4.189 4.340 -0.003 0.000 0.208 432 L C 2.337 179.215 176.870 0.013 0.000 1.077 432 L CA 0.439 55.286 54.840 0.013 0.000 0.747 432 L CB -0.235 41.834 42.059 0.016 0.000 0.896 432 L HN 0.105 nan 8.230 nan 0.000 0.432 433 L N 0.177 121.404 121.223 0.007 0.000 1.989 433 L HA -0.240 4.099 4.340 -0.003 0.000 0.211 433 L C 2.258 179.119 176.870 -0.015 0.000 1.071 433 L CA 1.856 56.697 54.840 0.001 0.000 0.749 433 L CB -0.888 41.166 42.059 -0.009 0.000 0.890 433 L HN 0.252 nan 8.230 nan 0.000 0.431 434 N N -0.236 118.452 118.700 -0.019 0.000 2.149 434 N HA -0.247 4.492 4.740 -0.003 0.000 0.188 434 N C 1.819 177.320 175.510 -0.014 0.000 1.019 434 N CA 1.573 54.608 53.050 -0.027 0.000 0.857 434 N CB -0.104 38.369 38.487 -0.023 0.000 0.997 434 N HN 0.601 nan 8.380 nan 0.000 0.426 435 E N 0.332 120.532 120.200 -0.001 0.000 2.072 435 E HA -0.097 4.251 4.350 -0.003 0.000 0.191 435 E C 1.976 178.586 176.600 0.017 0.000 0.985 435 E CA 1.062 57.466 56.400 0.008 0.000 0.801 435 E CB -0.225 29.484 29.700 0.014 0.000 0.750 435 E HN 0.311 nan 8.360 nan 0.000 0.452 436 G N 1.414 110.230 108.800 0.026 0.000 2.440 436 G HA2 -0.262 3.697 3.960 -0.003 0.000 0.218 436 G HA3 -0.262 3.697 3.960 -0.003 0.000 0.218 436 G C 1.577 176.509 174.900 0.053 0.000 1.154 436 G CA 0.891 46.022 45.100 0.051 0.000 0.767 436 G HN 0.221 nan 8.290 nan 0.000 0.552 437 L N 0.345 121.572 121.223 0.006 0.000 2.093 437 L HA -0.038 4.300 4.340 -0.003 0.000 0.208 437 L C 2.524 179.386 176.870 -0.014 0.000 1.085 437 L CA 0.992 55.811 54.840 -0.035 0.000 0.755 437 L CB -0.379 41.607 42.059 -0.122 0.000 0.904 437 L HN 0.074 nan 8.230 nan 0.000 0.435 438 D N -0.133 120.261 120.400 -0.009 0.000 2.104 438 D HA -0.169 4.469 4.640 -0.003 0.000 0.194 438 D C 2.337 178.642 176.300 0.008 0.000 0.994 438 D CA 1.200 55.198 54.000 -0.003 0.000 0.830 438 D CB -0.286 40.513 40.800 -0.002 0.000 0.959 438 D HN 0.079 nan 8.370 nan 0.000 0.452 439 V N 1.168 121.094 119.914 0.019 0.000 2.295 439 V HA -0.205 3.913 4.120 -0.003 0.000 0.246 439 V C 2.556 178.665 176.094 0.025 0.000 1.049 439 V CA 0.999 63.312 62.300 0.022 0.000 1.024 439 V CB -0.305 31.536 31.823 0.031 0.000 0.648 439 V HN 0.243 nan 8.190 nan 0.000 0.447 440 L N -0.297 120.954 121.223 0.047 0.000 2.017 440 L HA -0.181 4.157 4.340 -0.003 0.000 0.208 440 L C 2.564 179.452 176.870 0.031 0.000 1.073 440 L CA 1.972 56.847 54.840 0.058 0.000 0.745 440 L CB -1.308 40.836 42.059 0.142 0.000 0.894 440 L HN 0.480 nan 8.230 nan 0.000 0.432 441 E N -0.134 120.077 120.200 0.018 0.000 2.049 441 E HA -0.264 4.084 4.350 -0.003 0.000 0.198 441 E C 1.994 178.594 176.600 0.001 0.000 1.007 441 E CA 1.603 58.005 56.400 0.003 0.000 0.809 441 E CB 0.015 29.710 29.700 -0.007 0.000 0.749 441 E HN 0.553 nan 8.360 nan 0.000 0.450 442 E N 0.052 120.253 120.200 0.001 0.000 2.085 442 E HA -0.173 4.175 4.350 -0.003 0.000 0.194 442 E C 2.239 178.836 176.600 -0.004 0.000 0.994 442 E CA 1.216 57.615 56.400 -0.002 0.000 0.801 442 E CB 0.020 29.720 29.700 -0.000 0.000 0.743 442 E HN 0.093 nan 8.360 nan 0.000 0.453 443 V N 1.350 121.261 119.914 -0.005 0.000 2.358 443 V HA -0.226 3.892 4.120 -0.003 0.000 0.246 443 V C 2.289 178.375 176.094 -0.013 0.000 1.047 443 V CA 1.297 63.589 62.300 -0.013 0.000 1.035 443 V CB -0.348 31.462 31.823 -0.023 0.000 0.658 443 V HN 0.213 nan 8.190 nan 0.000 0.452 444 L N 0.465 121.684 121.223 -0.008 0.000 2.056 444 L HA -0.117 4.222 4.340 -0.003 0.000 0.207 444 L C 2.558 179.423 176.870 -0.007 0.000 1.078 444 L CA 2.105 56.941 54.840 -0.007 0.000 0.749 444 L CB -0.707 41.353 42.059 0.001 0.000 0.901 444 L HN 0.246 nan 8.230 nan 0.000 0.433 445 R N -0.623 119.873 120.500 -0.006 0.000 2.073 445 R HA 0.042 4.381 4.340 -0.003 0.000 0.229 445 R C 1.125 177.421 176.300 -0.007 0.000 1.120 445 R CA 0.907 57.003 56.100 -0.006 0.000 0.967 445 R CB -0.436 29.860 30.300 -0.006 0.000 0.862 445 R HN 0.473 nan 8.270 nan 0.000 0.436 446 G N 0.000 108.795 108.800 -0.008 0.000 5.446 446 G HA2 0.000 3.958 3.960 -0.003 0.000 0.244 446 G HA3 0.000 3.958 3.960 -0.003 0.000 0.244 446 G CA 0.000 45.095 45.100 -0.008 0.000 0.502 446 G HN 0.000 nan 8.290 nan 0.000 0.925