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 2eph_1_D DATA FIRST_RESID 3 DATA SEQUENCE CTEYMNAPKK LPADVAEELA TTAQKLVQAG KGILAADEST QTIKKRFDNI DATA SEQUENCE KLENTIENRA SYRDLLFGTK GLGKFISGAI LFEETLFQKN EAGVPMVNLL DATA SEQUENCE HNENIIPGIK VDKGLVNIPC TDEEKSTQGL DGLAERCKEY YKAGARFAKW DATA SEQUENCE RTVLVIDTAK GKPTDLSIHE TAWGLARYAS ICQQNRLVPI VEPEILADGP DATA SEQUENCE HSIEVCAVVT QKVLSCVFKA LQENGVLLEG ALLKPNMVTA GYECTAKTTT DATA SEQUENCE QDVGFLTVRT LRRTVPPALP GVVFLSGGQS EEEASVNLNS INALGPHPWA DATA SEQUENCE LTFSYGRALQ ASVLNTWQGK KENVAKAREV LLQRAEANSL ATYGKYKGGA DATA SEQUENCE G 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 3 C HA 0.000 nan 4.460 nan 0.000 0.325 3 C C 0.000 175.000 174.990 0.017 0.000 1.270 3 C CA 0.000 59.026 59.018 0.013 0.000 1.963 3 C CB 0.000 27.745 27.740 0.009 0.000 2.134 4 T N 3.020 117.585 114.554 0.018 0.000 2.926 4 T HA 0.317 4.668 4.350 0.001 0.000 0.307 4 T C 0.502 175.223 174.700 0.034 0.000 1.059 4 T CA 0.576 62.687 62.100 0.018 0.000 1.122 4 T CB 0.513 69.388 68.868 0.011 0.000 0.972 4 T HN 0.620 nan 8.240 nan 0.000 0.545 5 E N 3.359 123.580 120.200 0.034 0.000 2.369 5 E HA 0.057 4.407 4.350 0.001 0.000 0.255 5 E C -0.544 176.110 176.600 0.091 0.000 1.172 5 E CA -0.648 55.789 56.400 0.061 0.000 0.932 5 E CB 0.283 30.012 29.700 0.048 0.000 1.040 5 E HN 0.672 nan 8.360 nan 0.000 0.454 6 Y N 0.978 121.279 120.300 0.002 0.000 2.496 6 Y HA 0.015 4.565 4.550 0.000 0.000 0.334 6 Y C 1.042 176.944 175.900 0.004 0.000 1.080 6 Y CA -0.056 58.046 58.100 0.003 0.000 1.355 6 Y CB 0.735 39.198 38.460 0.005 0.000 1.193 6 Y HN 0.445 nan 8.280 nan 0.000 0.523 7 M N 3.769 123.106 119.600 -0.438 0.000 2.334 7 M HA 0.005 4.485 4.480 0.001 0.000 0.266 7 M C 0.662 176.758 176.300 -0.340 0.000 1.082 7 M CA 0.891 56.015 55.300 -0.294 0.000 1.141 7 M CB -0.538 31.939 32.600 -0.205 0.000 1.380 7 M HN 0.635 nan 8.290 nan 0.000 0.440 8 N N 1.443 119.768 118.700 -0.625 0.000 3.254 8 N HA 0.460 5.200 4.740 0.001 0.000 0.308 8 N C -1.601 173.844 175.510 -0.107 0.000 1.281 8 N CA 0.048 52.898 53.050 -0.333 0.000 1.212 8 N CB -0.273 38.042 38.487 -0.285 0.000 1.478 8 N HN 0.227 nan 8.380 nan 0.000 0.548 9 A N 1.313 124.117 122.820 -0.027 0.000 2.577 9 A HA 0.525 4.845 4.320 0.001 0.000 0.297 9 A C -2.790 174.818 177.584 0.040 0.000 1.060 9 A CA -1.134 50.955 52.037 0.086 0.000 0.697 9 A CB 0.770 19.896 19.000 0.210 0.000 1.281 9 A HN 0.231 nan 8.150 nan 0.000 0.402 10 P HA 0.166 nan 4.420 nan 0.000 0.265 10 P C -0.431 176.875 177.300 0.010 0.000 1.193 10 P CA 0.111 63.218 63.100 0.012 0.000 0.765 10 P CB 0.452 32.153 31.700 0.001 0.000 0.823 11 K N 2.602 123.000 120.400 -0.003 0.000 2.168 11 K HA 0.211 4.532 4.320 0.001 0.000 0.258 11 K C 0.528 177.122 176.600 -0.011 0.000 1.010 11 K CA -0.342 55.943 56.287 -0.004 0.000 0.929 11 K CB 0.692 33.185 32.500 -0.011 0.000 0.998 11 K HN 0.378 nan 8.250 nan 0.000 0.479 12 K N 0.867 121.262 120.400 -0.008 0.000 2.276 12 K HA 0.073 4.393 4.320 0.001 0.000 0.259 12 K C 0.081 176.666 176.600 -0.025 0.000 1.001 12 K CA -0.542 55.736 56.287 -0.014 0.000 0.927 12 K CB 0.317 32.812 32.500 -0.008 0.000 0.969 12 K HN 0.144 nan 8.250 nan 0.000 0.490 13 L N 2.924 124.128 121.223 -0.031 0.000 2.436 13 L HA 0.196 4.536 4.340 0.001 0.000 0.265 13 L C -1.991 174.861 176.870 -0.031 0.000 1.168 13 L CA -1.523 53.295 54.840 -0.038 0.000 0.815 13 L CB -0.392 41.640 42.059 -0.045 0.000 1.109 13 L HN 0.515 nan 8.230 nan 0.000 0.462 14 P HA 0.034 nan 4.420 nan 0.000 0.266 14 P C 0.152 177.436 177.300 -0.026 0.000 1.195 14 P CA 0.039 63.121 63.100 -0.029 0.000 0.768 14 P CB 0.533 32.212 31.700 -0.035 0.000 0.838 15 A N 3.469 126.277 122.820 -0.020 0.000 1.958 15 A HA -0.266 4.054 4.320 0.001 0.000 0.221 15 A C 1.720 179.293 177.584 -0.017 0.000 1.178 15 A CA 2.044 54.071 52.037 -0.016 0.000 0.642 15 A CB -1.053 17.939 19.000 -0.012 0.000 0.816 15 A HN 0.617 nan 8.150 nan 0.000 0.453 16 D N -0.218 120.170 120.400 -0.020 0.000 2.084 16 D HA -0.153 4.487 4.640 0.001 0.000 0.194 16 D C 2.158 178.445 176.300 -0.022 0.000 0.990 16 D CA 2.110 56.099 54.000 -0.020 0.000 0.826 16 D CB -0.651 40.135 40.800 -0.024 0.000 0.971 16 D HN 0.537 nan 8.370 nan 0.000 0.453 17 V N 0.193 120.087 119.914 -0.034 0.000 2.488 17 V HA 0.043 4.163 4.120 0.001 0.000 0.246 17 V C 2.381 178.458 176.094 -0.029 0.000 1.046 17 V CA 1.611 63.886 62.300 -0.042 0.000 1.053 17 V CB -0.441 31.342 31.823 -0.067 0.000 0.679 17 V HN 0.117 nan 8.190 nan 0.000 0.458 18 A N 0.196 122.999 122.820 -0.028 0.000 1.908 18 A HA -0.272 4.048 4.320 0.001 0.000 0.218 18 A C 2.253 179.829 177.584 -0.014 0.000 1.181 18 A CA 2.225 54.248 52.037 -0.023 0.000 0.627 18 A CB -0.768 18.219 19.000 -0.021 0.000 0.818 18 A HN 0.742 nan 8.150 nan 0.000 0.445 19 E N -0.628 119.565 120.200 -0.011 0.000 2.072 19 E HA -0.226 4.124 4.350 0.001 0.000 0.191 19 E C 2.044 178.644 176.600 0.000 0.000 0.985 19 E CA 1.314 57.711 56.400 -0.006 0.000 0.801 19 E CB -0.111 29.586 29.700 -0.005 0.000 0.750 19 E HN 0.772 nan 8.360 nan 0.000 0.452 20 E N 0.194 120.398 120.200 0.006 0.000 2.072 20 E HA -0.187 4.163 4.350 0.001 0.000 0.191 20 E C 2.147 178.763 176.600 0.026 0.000 0.985 20 E CA 0.915 57.329 56.400 0.024 0.000 0.801 20 E CB -0.050 29.675 29.700 0.041 0.000 0.750 20 E HN 0.275 nan 8.360 nan 0.000 0.452 21 L N 0.417 121.649 121.223 0.015 0.000 2.042 21 L HA -0.182 4.158 4.340 0.001 0.000 0.210 21 L C 2.678 179.546 176.870 -0.002 0.000 1.076 21 L CA 1.164 56.010 54.840 0.010 0.000 0.749 21 L CB -0.512 41.541 42.059 -0.010 0.000 0.893 21 L HN 0.246 nan 8.230 nan 0.000 0.432 22 A N -0.347 122.469 122.820 -0.007 0.000 1.930 22 A HA -0.172 4.148 4.320 0.001 0.000 0.217 22 A C 2.359 179.934 177.584 -0.014 0.000 1.175 22 A CA 2.194 54.225 52.037 -0.011 0.000 0.627 22 A CB -0.839 18.156 19.000 -0.008 0.000 0.815 22 A HN 0.419 nan 8.150 nan 0.000 0.443 23 T N -0.260 114.289 114.554 -0.009 0.000 2.777 23 T HA -0.107 4.244 4.350 0.001 0.000 0.266 23 T C 1.983 176.670 174.700 -0.022 0.000 1.040 23 T CA 1.841 63.934 62.100 -0.013 0.000 1.141 23 T CB -0.626 68.240 68.868 -0.004 0.000 0.868 23 T HN 0.521 nan 8.240 nan 0.000 0.444 24 T N 2.215 116.762 114.554 -0.012 0.000 2.708 24 T HA -0.024 4.326 4.350 0.001 0.000 0.266 24 T C 2.473 177.126 174.700 -0.078 0.000 1.037 24 T CA 1.181 63.267 62.100 -0.024 0.000 1.146 24 T CB -0.619 68.263 68.868 0.023 0.000 0.865 24 T HN 0.449 nan 8.240 nan 0.000 0.435 25 A N 1.556 124.336 122.820 -0.067 0.000 1.908 25 A HA -0.165 4.155 4.320 0.001 0.000 0.218 25 A C 2.398 179.921 177.584 -0.101 0.000 1.181 25 A CA 1.276 53.254 52.037 -0.097 0.000 0.627 25 A CB -0.533 18.430 19.000 -0.061 0.000 0.818 25 A HN 0.422 nan 8.150 nan 0.000 0.445 26 Q N -0.223 119.536 119.800 -0.068 0.000 2.046 26 Q HA -0.166 4.175 4.340 0.001 0.000 0.200 26 Q C 2.056 178.009 176.000 -0.079 0.000 0.975 26 Q CA 1.642 57.409 55.803 -0.059 0.000 0.836 26 Q CB -0.322 28.394 28.738 -0.037 0.000 0.896 26 Q HN 0.693 nan 8.270 nan 0.000 0.428 27 K N 0.283 120.634 120.400 -0.082 0.000 2.103 27 K HA -0.139 4.181 4.320 0.001 0.000 0.207 27 K C 2.063 178.577 176.600 -0.143 0.000 1.048 27 K CA 0.748 56.980 56.287 -0.091 0.000 0.930 27 K CB -0.079 32.377 32.500 -0.073 0.000 0.716 27 K HN 0.017 nan 8.250 nan 0.000 0.444 28 L N 0.231 121.334 121.223 -0.201 0.000 2.191 28 L HA -0.120 4.220 4.340 0.001 0.000 0.212 28 L C 1.663 178.368 176.870 -0.276 0.000 1.103 28 L CA 1.429 56.083 54.840 -0.309 0.000 0.769 28 L CB -0.324 41.461 42.059 -0.456 0.000 0.908 28 L HN 0.078 nan 8.230 nan 0.000 0.438 29 V N -3.752 116.041 119.914 -0.202 0.000 2.982 29 V HA 0.286 4.406 4.120 0.001 0.000 0.368 29 V C 0.698 176.718 176.094 -0.124 0.000 1.350 29 V CA -0.758 61.436 62.300 -0.177 0.000 1.251 29 V CB -0.666 31.073 31.823 -0.141 0.000 1.284 29 V HN 0.233 nan 8.190 nan 0.000 0.533 30 Q N 1.788 121.518 119.800 -0.116 0.000 2.394 30 Q HA 0.377 4.718 4.340 0.001 0.000 0.303 30 Q C 0.898 176.856 176.000 -0.070 0.000 1.117 30 Q CA 0.692 56.451 55.803 -0.074 0.000 0.966 30 Q CB 0.615 29.316 28.738 -0.062 0.000 1.275 30 Q HN 0.869 nan 8.270 nan 0.000 0.429 31 A N 1.667 124.466 122.820 -0.035 0.000 2.548 31 A HA 0.373 4.693 4.320 0.001 0.000 0.247 31 A C 1.180 178.744 177.584 -0.033 0.000 1.067 31 A CA 0.581 52.588 52.037 -0.051 0.000 0.757 31 A CB -0.661 18.371 19.000 0.054 0.000 0.996 31 A HN 1.067 nan 8.150 nan 0.000 0.504 32 G N 1.832 110.478 108.800 -0.256 0.000 2.148 32 G HA2 -0.228 3.733 3.960 0.001 0.000 0.254 32 G HA3 -0.228 3.733 3.960 0.001 0.000 0.254 32 G C 0.152 175.120 174.900 0.114 0.000 0.981 32 G CA 0.940 45.992 45.100 -0.079 0.000 0.670 32 G HN 0.883 nan 8.290 nan 0.000 0.528 33 K N -0.680 119.722 120.400 0.004 0.000 2.400 33 K HA 0.739 5.060 4.320 0.001 0.000 0.246 33 K C 0.371 176.802 176.600 -0.282 0.000 0.995 33 K CA -0.334 55.939 56.287 -0.023 0.000 0.840 33 K CB 2.197 34.660 32.500 -0.062 0.000 1.293 33 K HN 0.435 nan 8.250 nan 0.000 0.445 34 G N 0.528 108.970 108.800 -0.597 0.000 2.827 34 G HA2 0.589 4.550 3.960 0.001 0.000 0.296 34 G HA3 0.589 4.550 3.960 0.001 0.000 0.296 34 G C -1.340 173.060 174.900 -0.833 0.000 1.362 34 G CA -0.786 43.517 45.100 -1.328 0.000 0.809 34 G HN 0.417 nan 8.290 nan 0.000 0.522 35 I N 0.349 120.463 120.570 -0.761 0.000 2.412 35 I HA 0.364 4.534 4.170 0.001 0.000 0.296 35 I C -0.818 175.260 176.117 -0.065 0.000 0.987 35 I CA -0.771 60.351 61.300 -0.296 0.000 1.180 35 I CB 1.972 39.842 38.000 -0.217 0.000 1.340 35 I HN 0.247 nan 8.210 nan 0.000 0.455 36 L N 6.461 127.719 121.223 0.059 0.000 2.257 36 L HA 0.527 4.867 4.340 0.001 0.000 0.290 36 L C 0.213 177.179 176.870 0.160 0.000 1.044 36 L CA -0.166 54.772 54.840 0.162 0.000 0.810 36 L CB 0.891 43.053 42.059 0.172 0.000 1.193 36 L HN 0.674 nan 8.230 nan 0.000 0.425 37 A N 5.064 127.993 122.820 0.182 0.000 2.527 37 A HA 0.633 4.953 4.320 0.001 0.000 0.313 37 A C 0.648 178.326 177.584 0.157 0.000 1.410 37 A CA 0.208 52.340 52.037 0.158 0.000 1.060 37 A CB -0.291 18.805 19.000 0.160 0.000 1.137 37 A HN 1.049 nan 8.150 nan 0.000 0.542 38 A N 2.929 125.850 122.820 0.167 0.000 2.713 38 A HA 0.373 4.693 4.320 0.001 0.000 0.296 38 A C 0.432 178.106 177.584 0.151 0.000 1.255 38 A CA 0.093 52.239 52.037 0.180 0.000 0.955 38 A CB -0.088 19.095 19.000 0.304 0.000 1.149 38 A HN 0.708 nan 8.150 nan 0.000 0.538 39 D N -0.330 120.132 120.400 0.104 0.000 2.561 39 D HA 0.119 4.759 4.640 0.001 0.000 0.232 39 D C -0.465 175.838 176.300 0.006 0.000 1.198 39 D CA -0.157 53.902 54.000 0.098 0.000 0.826 39 D CB -0.091 40.753 40.800 0.073 0.000 0.992 39 D HN 0.305 nan 8.370 nan 0.000 0.490 40 E N 0.925 121.088 120.200 -0.062 0.000 2.344 40 E HA 0.172 4.522 4.350 0.001 0.000 0.270 40 E C 0.598 176.857 176.600 -0.568 0.000 1.021 40 E CA -0.229 56.040 56.400 -0.217 0.000 0.887 40 E CB 0.835 30.443 29.700 -0.152 0.000 0.997 40 E HN 0.278 nan 8.360 nan 0.000 0.429 41 S N 1.752 116.992 115.700 -0.766 0.000 2.587 41 S HA 0.007 4.477 4.470 0.001 0.000 0.260 41 S C 1.041 175.235 174.600 -0.677 0.000 1.353 41 S CA -0.269 57.205 58.200 -1.210 0.000 0.995 41 S CB 0.855 63.648 63.200 -0.679 0.000 0.912 41 S HN 0.522 nan 8.310 nan 0.000 0.568 42 T N 0.928 115.183 114.554 -0.499 0.000 2.720 42 T HA -0.186 4.164 4.350 0.001 0.000 0.268 42 T C 1.912 176.492 174.700 -0.200 0.000 1.037 42 T CA 1.856 63.822 62.100 -0.224 0.000 1.144 42 T CB -0.611 68.223 68.868 -0.056 0.000 0.864 42 T HN 0.773 nan 8.240 nan 0.000 0.444 43 Q N 0.795 120.484 119.800 -0.184 0.000 2.096 43 Q HA -0.161 4.179 4.340 0.001 0.000 0.208 43 Q C 2.343 178.253 176.000 -0.151 0.000 0.993 43 Q CA 2.442 58.163 55.803 -0.137 0.000 0.862 43 Q CB -0.755 27.912 28.738 -0.118 0.000 0.915 43 Q HN 0.481 nan 8.270 nan 0.000 0.416 44 T N -1.464 112.970 114.554 -0.199 0.000 3.031 44 T HA 0.078 4.429 4.350 0.001 0.000 0.254 44 T C 1.491 176.072 174.700 -0.198 0.000 1.060 44 T CA 0.553 62.549 62.100 -0.173 0.000 1.135 44 T CB -0.142 68.627 68.868 -0.166 0.000 0.896 44 T HN 0.313 nan 8.240 nan 0.000 0.472 45 I N 1.325 121.724 120.570 -0.284 0.000 2.676 45 I HA 0.127 4.297 4.170 0.001 0.000 0.259 45 I C 2.255 178.084 176.117 -0.479 0.000 1.194 45 I CA 1.090 62.136 61.300 -0.423 0.000 1.473 45 I CB -0.280 37.390 38.000 -0.550 0.000 1.096 45 I HN 0.141 nan 8.210 nan 0.000 0.443 46 K N 0.436 120.663 120.400 -0.289 0.000 2.032 46 K HA -0.259 4.061 4.320 0.001 0.000 0.209 46 K C 2.258 178.821 176.600 -0.061 0.000 1.048 46 K CA 1.343 57.545 56.287 -0.142 0.000 0.927 46 K CB -0.115 32.333 32.500 -0.086 0.000 0.712 46 K HN 0.099 nan 8.250 nan 0.000 0.441 47 K N 0.578 120.931 120.400 -0.078 0.000 2.097 47 K HA -0.107 4.214 4.320 0.001 0.000 0.206 47 K C 2.039 178.632 176.600 -0.012 0.000 1.049 47 K CA 1.079 57.343 56.287 -0.040 0.000 0.933 47 K CB 0.076 32.545 32.500 -0.051 0.000 0.717 47 K HN 0.131 nan 8.250 nan 0.000 0.442 48 R N -0.260 120.223 120.500 -0.028 0.000 2.115 48 R HA -0.030 4.310 4.340 0.001 0.000 0.226 48 R C 2.214 178.621 176.300 0.179 0.000 1.100 48 R CA 0.713 56.833 56.100 0.032 0.000 0.980 48 R CB -0.697 29.594 30.300 -0.015 0.000 0.875 48 R HN 0.165 nan 8.270 nan 0.000 0.445 49 F N 1.751 121.649 119.950 -0.087 0.000 2.325 49 F HA -0.050 4.477 4.527 0.001 0.000 0.299 49 F C 1.592 177.343 175.800 -0.082 0.000 1.090 49 F CA 0.446 58.392 58.000 -0.090 0.000 1.392 49 F CB -0.503 38.454 39.000 -0.071 0.000 1.053 49 F HN -0.033 nan 8.300 nan 0.000 0.521 50 D N -0.306 120.165 120.400 0.118 0.000 2.144 50 D HA -0.136 4.505 4.640 0.001 0.000 0.200 50 D C 1.738 178.041 176.300 0.006 0.000 0.978 50 D CA 1.036 55.059 54.000 0.037 0.000 0.833 50 D CB -0.611 40.200 40.800 0.019 0.000 0.961 50 D HN 0.290 nan 8.370 nan 0.000 0.470 51 N N 0.123 118.830 118.700 0.012 0.000 2.381 51 N HA -0.034 4.706 4.740 0.001 0.000 0.182 51 N C 1.409 176.903 175.510 -0.027 0.000 1.025 51 N CA 0.447 53.493 53.050 -0.007 0.000 0.888 51 N CB 0.045 38.532 38.487 0.000 0.000 0.965 51 N HN 0.350 nan 8.380 nan 0.000 0.438 52 I N -2.974 117.570 120.570 -0.043 0.000 3.914 52 I HA 0.377 4.547 4.170 0.001 0.000 0.333 52 I C -0.634 175.388 176.117 -0.158 0.000 1.449 52 I CA -0.536 60.698 61.300 -0.110 0.000 1.135 52 I CB 0.283 38.193 38.000 -0.150 0.000 1.073 52 I HN -0.262 nan 8.210 nan 0.000 0.401 53 K N 1.256 121.593 120.400 -0.104 0.000 3.278 53 K HA -0.141 4.179 4.320 0.001 0.000 0.270 53 K C -0.813 175.694 176.600 -0.154 0.000 0.955 53 K CA 0.618 56.843 56.287 -0.105 0.000 0.723 53 K CB -1.429 31.012 32.500 -0.098 0.000 1.382 53 K HN 0.564 nan 8.250 nan 0.000 0.461 54 L N 0.253 121.376 121.223 -0.167 0.000 2.365 54 L HA 0.436 4.776 4.340 0.001 0.000 0.273 54 L C -0.251 176.567 176.870 -0.087 0.000 1.000 54 L CA -0.666 54.028 54.840 -0.244 0.000 0.819 54 L CB 1.723 43.451 42.059 -0.553 0.000 1.284 54 L HN 0.087 nan 8.230 nan 0.000 0.418 55 E N 2.095 122.257 120.200 -0.063 0.000 2.344 55 E HA 0.110 4.460 4.350 0.001 0.000 0.270 55 E C -0.319 176.363 176.600 0.138 0.000 1.021 55 E CA 0.355 56.772 56.400 0.027 0.000 0.887 55 E CB 0.327 30.031 29.700 0.007 0.000 0.997 55 E HN 0.375 nan 8.360 nan 0.000 0.429 56 N N 2.547 121.362 118.700 0.192 0.000 3.050 56 N HA 0.008 4.748 4.740 0.001 0.000 0.289 56 N C -1.134 174.482 175.510 0.176 0.000 1.209 56 N CA -0.077 53.137 53.050 0.273 0.000 1.154 56 N CB -0.202 38.359 38.487 0.124 0.000 1.444 56 N HN 0.446 nan 8.380 nan 0.000 0.529 57 T N -1.866 112.805 114.554 0.196 0.000 2.936 57 T HA 0.384 4.734 4.350 0.001 0.000 0.282 57 T C 1.755 176.551 174.700 0.161 0.000 1.003 57 T CA -0.789 61.393 62.100 0.136 0.000 1.005 57 T CB 0.811 69.737 68.868 0.097 0.000 1.097 57 T HN 0.154 nan 8.240 nan 0.000 0.532 58 I N 0.438 121.081 120.570 0.122 0.000 2.394 58 I HA -0.115 4.056 4.170 0.001 0.000 0.251 58 I C 2.380 178.579 176.117 0.136 0.000 1.136 58 I CA 1.243 62.618 61.300 0.125 0.000 1.425 58 I CB -0.228 37.831 38.000 0.098 0.000 1.079 58 I HN 0.732 nan 8.210 nan 0.000 0.425 59 E N 0.723 120.996 120.200 0.122 0.000 2.047 59 E HA -0.170 4.181 4.350 0.001 0.000 0.191 59 E C 1.899 178.594 176.600 0.158 0.000 0.987 59 E CA 1.033 57.502 56.400 0.116 0.000 0.799 59 E CB -0.172 29.579 29.700 0.084 0.000 0.752 59 E HN 0.374 nan 8.360 nan 0.000 0.449 60 N N 0.410 119.225 118.700 0.191 0.000 2.142 60 N HA -0.077 4.663 4.740 0.001 0.000 0.186 60 N C 1.661 177.439 175.510 0.447 0.000 1.023 60 N CA 0.854 54.056 53.050 0.253 0.000 0.852 60 N CB -0.129 38.444 38.487 0.143 0.000 0.998 60 N HN 0.099 nan 8.380 nan 0.000 0.424 61 R N 0.731 121.510 120.500 0.465 0.000 2.073 61 R HA 0.016 4.356 4.340 0.001 0.000 0.234 61 R C 2.174 178.631 176.300 0.262 0.000 1.134 61 R CA 1.331 57.678 56.100 0.411 0.000 0.952 61 R CB -0.356 30.077 30.300 0.223 0.000 0.850 61 R HN 0.185 nan 8.270 nan 0.000 0.433 62 A N 0.600 123.530 122.820 0.183 0.000 1.902 62 A HA -0.149 4.171 4.320 0.001 0.000 0.217 62 A C 2.226 179.851 177.584 0.068 0.000 1.181 62 A CA 1.764 53.863 52.037 0.103 0.000 0.623 62 A CB -0.403 18.655 19.000 0.097 0.000 0.818 62 A HN 0.238 nan 8.150 nan 0.000 0.443 63 S N -1.674 114.105 115.700 0.131 0.000 2.382 63 S HA -0.147 4.323 4.470 0.001 0.000 0.228 63 S C 1.859 176.467 174.600 0.013 0.000 1.027 63 S CA 1.437 59.704 58.200 0.111 0.000 0.991 63 S CB -0.515 62.817 63.200 0.221 0.000 0.823 63 S HN 0.710 nan 8.310 nan 0.000 0.469 64 Y N 2.408 122.663 120.300 -0.074 0.000 2.200 64 Y HA -0.022 4.528 4.550 -0.000 0.000 0.290 64 Y C 2.195 177.864 175.900 -0.384 0.000 1.137 64 Y CA 1.338 59.232 58.100 -0.343 0.000 1.163 64 Y CB -0.266 38.190 38.460 -0.007 0.000 0.988 64 Y HN -0.033 nan 8.280 nan 0.000 0.518 65 R N 0.645 120.865 120.500 -0.466 0.000 2.115 65 R HA -0.084 4.256 4.340 0.001 0.000 0.230 65 R C 1.926 177.719 176.300 -0.844 0.000 1.111 65 R CA 1.455 57.019 56.100 -0.894 0.000 0.976 65 R CB -0.942 28.992 30.300 -0.610 0.000 0.870 65 R HN 0.547 nan 8.270 nan 0.000 0.445 66 D N -0.068 120.095 120.400 -0.396 0.000 2.117 66 D HA -0.162 4.479 4.640 0.001 0.000 0.197 66 D C 1.793 177.932 176.300 -0.268 0.000 0.987 66 D CA 0.940 54.803 54.000 -0.228 0.000 0.829 66 D CB -0.004 40.737 40.800 -0.097 0.000 0.961 66 D HN 0.203 nan 8.370 nan 0.000 0.460 67 L N -0.159 120.845 121.223 -0.366 0.000 2.012 67 L HA -0.168 4.172 4.340 0.001 0.000 0.210 67 L C 2.260 178.910 176.870 -0.367 0.000 1.073 67 L CA 1.223 55.834 54.840 -0.380 0.000 0.748 67 L CB -0.213 41.497 42.059 -0.582 0.000 0.891 67 L HN 0.203 nan 8.230 nan 0.000 0.431 68 L N -1.263 119.624 121.223 -0.560 0.000 1.988 68 L HA -0.189 4.151 4.340 0.001 0.000 0.207 68 L C 2.427 179.251 176.870 -0.077 0.000 1.071 68 L CA 1.098 55.698 54.840 -0.400 0.000 0.744 68 L CB -0.678 41.006 42.059 -0.625 0.000 0.893 68 L HN 0.201 nan 8.230 nan 0.000 0.433 69 F N 0.044 119.898 119.950 -0.160 0.000 2.558 69 F HA 0.075 4.602 4.527 0.000 0.000 0.298 69 F C 2.308 178.060 175.800 -0.080 0.000 1.119 69 F CA 0.423 58.359 58.000 -0.107 0.000 1.451 69 F CB -1.592 37.341 39.000 -0.112 0.000 1.091 69 F HN -0.015 nan 8.300 nan 0.000 0.563 70 G N -0.628 108.205 108.800 0.055 0.000 2.920 70 G HA2 -0.051 3.909 3.960 0.001 0.000 0.208 70 G HA3 -0.051 3.909 3.960 0.001 0.000 0.208 70 G C 0.487 175.398 174.900 0.017 0.000 1.159 70 G CA 0.047 45.161 45.100 0.023 0.000 0.784 70 G HN 0.189 nan 8.290 nan 0.000 0.535 71 T N 1.313 115.881 114.554 0.023 0.000 2.817 71 T HA 0.186 4.536 4.350 0.001 0.000 0.295 71 T C 0.401 175.127 174.700 0.043 0.000 0.958 71 T CA 0.048 62.166 62.100 0.030 0.000 1.157 71 T CB 1.372 70.265 68.868 0.042 0.000 0.898 71 T HN 0.198 nan 8.240 nan 0.000 0.536 72 K N 2.101 122.523 120.400 0.037 0.000 2.350 72 K HA 0.333 4.654 4.320 0.001 0.000 0.279 72 K C 1.311 177.934 176.600 0.038 0.000 1.027 72 K CA 0.586 56.892 56.287 0.032 0.000 0.969 72 K CB 0.115 32.631 32.500 0.027 0.000 0.954 72 K HN 0.857 nan 8.250 nan 0.000 0.474 73 G N 3.305 112.112 108.800 0.012 0.000 2.203 73 G HA2 -0.263 3.697 3.960 0.001 0.000 0.263 73 G HA3 -0.263 3.697 3.960 0.001 0.000 0.263 73 G C 0.365 175.254 174.900 -0.018 0.000 1.012 73 G CA 0.490 45.576 45.100 -0.024 0.000 0.749 73 G HN 0.607 nan 8.290 nan 0.000 0.512 74 L N 0.742 121.992 121.223 0.045 0.000 2.156 74 L HA 0.340 4.680 4.340 0.001 0.000 0.208 74 L C 2.616 179.510 176.870 0.040 0.000 1.095 74 L CA 2.747 57.658 54.840 0.119 0.000 0.770 74 L CB -0.697 41.438 42.059 0.126 0.000 0.914 74 L HN 0.272 nan 8.230 nan 0.000 0.439 75 G N -0.762 108.020 108.800 -0.030 0.000 2.501 75 G HA2 -0.254 3.707 3.960 0.001 0.000 0.220 75 G HA3 -0.254 3.707 3.960 0.001 0.000 0.220 75 G C 1.634 176.458 174.900 -0.127 0.000 1.114 75 G CA 0.685 45.751 45.100 -0.057 0.000 0.757 75 G HN 0.411 nan 8.290 nan 0.000 0.559 76 K N -0.699 119.528 120.400 -0.290 0.000 2.148 76 K HA 0.028 4.348 4.320 0.001 0.000 0.204 76 K C 1.525 177.879 176.600 -0.411 0.000 1.050 76 K CA 0.911 56.914 56.287 -0.474 0.000 0.942 76 K CB -0.102 31.871 32.500 -0.879 0.000 0.724 76 K HN 0.452 nan 8.250 nan 0.000 0.446 77 F N -0.183 119.816 119.950 0.082 0.000 2.727 77 F HA 0.311 4.837 4.527 -0.002 0.000 0.302 77 F C 0.639 176.508 175.800 0.116 0.000 1.107 77 F CA -0.283 57.793 58.000 0.126 0.000 1.277 77 F CB 0.508 39.598 39.000 0.150 0.000 1.079 77 F HN -0.221 nan 8.300 nan 0.000 0.594 78 I N 0.266 120.946 120.570 0.183 0.000 2.466 78 I HA 0.177 4.347 4.170 0.001 0.000 0.289 78 I C 0.888 176.989 176.117 -0.026 0.000 1.026 78 I CA -0.381 60.964 61.300 0.075 0.000 1.078 78 I CB 2.109 40.182 38.000 0.121 0.000 1.249 78 I HN -0.056 nan 8.210 nan 0.000 0.429 79 S N 3.320 118.957 115.700 -0.105 0.000 2.456 79 S HA 0.294 4.765 4.470 0.001 0.000 0.224 79 S C 0.716 175.243 174.600 -0.123 0.000 1.035 79 S CA 0.145 58.269 58.200 -0.125 0.000 0.940 79 S CB 0.545 63.634 63.200 -0.185 0.000 0.799 79 S HN 0.765 nan 8.310 nan 0.000 0.508 80 G N -0.210 108.514 108.800 -0.127 0.000 2.704 80 G HA2 0.684 4.644 3.960 0.001 0.000 0.293 80 G HA3 0.684 4.644 3.960 0.001 0.000 0.293 80 G C -1.719 173.217 174.900 0.061 0.000 1.421 80 G CA -0.419 44.667 45.100 -0.023 0.000 0.870 80 G HN 0.675 nan 8.290 nan 0.000 0.492 81 A N 0.985 123.879 122.820 0.122 0.000 2.353 81 A HA 0.723 5.043 4.320 0.001 0.000 0.299 81 A C -0.318 177.253 177.584 -0.021 0.000 1.089 81 A CA -0.565 51.466 52.037 -0.010 0.000 0.736 81 A CB 0.639 19.439 19.000 -0.332 0.000 1.195 81 A HN 0.686 nan 8.150 nan 0.000 0.447 82 I N 3.163 123.763 120.570 0.051 0.000 2.441 82 I HA 0.293 4.464 4.170 0.001 0.000 0.287 82 I C -0.291 175.791 176.117 -0.059 0.000 1.049 82 I CA 0.039 61.296 61.300 -0.072 0.000 1.381 82 I CB 0.709 38.736 38.000 0.044 0.000 1.409 82 I HN 0.481 nan 8.210 nan 0.000 0.523 83 L N 5.342 126.477 121.223 -0.145 0.000 2.319 83 L HA 0.517 4.857 4.340 0.001 0.000 0.267 83 L C -0.468 176.406 176.870 0.007 0.000 1.011 83 L CA -0.803 54.011 54.840 -0.043 0.000 0.818 83 L CB 1.913 43.892 42.059 -0.134 0.000 1.316 83 L HN 0.389 nan 8.230 nan 0.000 0.432 84 F N 0.792 120.698 119.950 -0.073 0.000 2.375 84 F HA 0.157 4.684 4.527 -0.000 0.000 0.333 84 F C 1.437 177.192 175.800 -0.076 0.000 1.104 84 F CA -0.228 57.728 58.000 -0.072 0.000 1.149 84 F CB 1.043 40.028 39.000 -0.026 0.000 1.190 84 F HN 0.659 nan 8.300 nan 0.000 0.533 85 E N 2.354 122.072 120.200 -0.804 0.000 2.086 85 E HA -0.328 4.022 4.350 0.001 0.000 0.200 85 E C 1.829 178.304 176.600 -0.208 0.000 1.012 85 E CA 2.081 58.189 56.400 -0.487 0.000 0.812 85 E CB -0.161 29.287 29.700 -0.421 0.000 0.743 85 E HN 0.895 nan 8.360 nan 0.000 0.453 86 E N -0.735 119.285 120.200 -0.300 0.000 2.049 86 E HA -0.205 4.145 4.350 0.001 0.000 0.198 86 E C 1.944 178.605 176.600 0.102 0.000 1.007 86 E CA 2.107 58.524 56.400 0.028 0.000 0.809 86 E CB -0.059 29.733 29.700 0.155 0.000 0.749 86 E HN 0.284 nan 8.360 nan 0.000 0.450 87 T N 1.555 116.173 114.554 0.107 0.000 2.833 87 T HA -0.168 4.182 4.350 0.001 0.000 0.269 87 T C 1.732 176.445 174.700 0.022 0.000 1.054 87 T CA 1.006 63.172 62.100 0.112 0.000 1.135 87 T CB -0.238 68.735 68.868 0.176 0.000 0.869 87 T HN 0.119 nan 8.240 nan 0.000 0.466 88 L N 0.291 121.445 121.223 -0.114 0.000 2.131 88 L HA 0.131 4.471 4.340 0.001 0.000 0.210 88 L C 1.289 177.914 176.870 -0.408 0.000 1.092 88 L CA 1.603 56.240 54.840 -0.339 0.000 0.759 88 L CB -0.651 41.067 42.059 -0.568 0.000 0.903 88 L HN 0.259 nan 8.230 nan 0.000 0.435 89 F N -1.477 118.469 119.950 -0.006 0.000 2.695 89 F HA 0.274 4.802 4.527 0.002 0.000 0.303 89 F C 1.261 177.074 175.800 0.021 0.000 1.091 89 F CA -0.332 57.675 58.000 0.011 0.000 1.300 89 F CB 0.087 39.094 39.000 0.012 0.000 1.071 89 F HN 0.100 nan 8.300 nan 0.000 0.578 90 Q N 1.546 121.437 119.800 0.150 0.000 2.221 90 Q HA 0.406 4.747 4.340 0.001 0.000 0.242 90 Q C -0.772 175.283 176.000 0.092 0.000 0.940 90 Q CA -0.527 55.349 55.803 0.122 0.000 0.896 90 Q CB 1.177 29.984 28.738 0.115 0.000 1.226 90 Q HN 0.142 nan 8.270 nan 0.000 0.463 91 K N 1.668 122.118 120.400 0.083 0.000 2.340 91 K HA 0.323 4.643 4.320 0.001 0.000 0.244 91 K C -0.716 175.920 176.600 0.061 0.000 0.973 91 K CA -1.052 55.275 56.287 0.067 0.000 0.828 91 K CB 1.105 33.642 32.500 0.062 0.000 1.226 91 K HN 0.700 nan 8.250 nan 0.000 0.437 92 N N 0.605 119.335 118.700 0.051 0.000 2.347 92 N HA -0.020 4.720 4.740 0.001 0.000 0.253 92 N C -0.495 175.044 175.510 0.047 0.000 1.274 92 N CA -0.327 52.750 53.050 0.044 0.000 0.941 92 N CB 0.299 38.804 38.487 0.030 0.000 1.200 92 N HN 0.334 nan 8.380 nan 0.000 0.514 93 E N -0.599 119.630 120.200 0.049 0.000 2.053 93 E HA 0.337 4.687 4.350 0.001 0.000 0.297 93 E C -0.140 176.485 176.600 0.040 0.000 1.173 93 E CA -0.037 56.392 56.400 0.048 0.000 1.219 93 E CB -0.765 28.967 29.700 0.054 0.000 1.103 93 E HN 0.689 nan 8.360 nan 0.000 0.476 94 A N -0.168 122.674 122.820 0.038 0.000 2.270 94 A HA 0.349 4.670 4.320 0.001 0.000 0.166 94 A C 1.364 178.968 177.584 0.033 0.000 2.220 94 A CA 0.399 52.456 52.037 0.033 0.000 1.443 94 A CB -0.313 18.706 19.000 0.032 0.000 1.368 94 A HN 0.650 nan 8.150 nan 0.000 0.346 95 G N -1.007 107.815 108.800 0.037 0.000 2.179 95 G HA2 -0.030 3.931 3.960 0.001 0.000 0.220 95 G HA3 -0.030 3.931 3.960 0.001 0.000 0.220 95 G C 0.126 175.050 174.900 0.039 0.000 0.990 95 G CA 0.170 45.292 45.100 0.037 0.000 0.646 95 G HN 1.371 nan 8.290 nan 0.000 0.517 96 V N 2.235 122.172 119.914 0.039 0.000 2.432 96 V HA 0.448 4.569 4.120 0.001 0.000 0.275 96 V C -1.673 174.448 176.094 0.044 0.000 1.043 96 V CA -1.687 60.637 62.300 0.040 0.000 0.925 96 V CB 1.440 33.285 31.823 0.036 0.000 0.985 96 V HN 0.091 nan 8.190 nan 0.000 0.466 97 P HA 0.102 nan 4.420 nan 0.000 0.265 97 P C 1.042 178.361 177.300 0.031 0.000 1.193 97 P CA 0.035 63.160 63.100 0.042 0.000 0.765 97 P CB 0.447 32.171 31.700 0.041 0.000 0.823 98 M N 3.171 122.798 119.600 0.044 0.000 2.108 98 M HA -0.140 4.341 4.480 0.001 0.000 0.261 98 M C 1.846 178.137 176.300 -0.014 0.000 1.066 98 M CA 1.931 57.284 55.300 0.088 0.000 1.107 98 M CB -1.451 31.246 32.600 0.162 0.000 1.356 98 M HN 0.251 nan 8.290 nan 0.000 0.406 99 V N -1.280 118.556 119.914 -0.129 0.000 2.594 99 V HA -0.180 3.940 4.120 0.001 0.000 0.253 99 V C 1.734 177.543 176.094 -0.476 0.000 1.069 99 V CA 1.933 64.020 62.300 -0.356 0.000 1.082 99 V CB -1.287 30.332 31.823 -0.339 0.000 0.680 99 V HN 0.296 nan 8.190 nan 0.000 0.469 100 N N 0.991 119.605 118.700 -0.143 0.000 2.309 100 N HA 0.036 4.776 4.740 0.001 0.000 0.182 100 N C 1.660 177.158 175.510 -0.020 0.000 1.018 100 N CA 1.551 54.608 53.050 0.013 0.000 0.876 100 N CB -0.524 38.008 38.487 0.074 0.000 0.972 100 N HN 0.513 nan 8.380 nan 0.000 0.434 101 L N -0.027 121.174 121.223 -0.038 0.000 2.141 101 L HA -0.048 4.292 4.340 0.001 0.000 0.209 101 L C 1.865 178.703 176.870 -0.053 0.000 1.094 101 L CA 0.755 55.595 54.840 -0.000 0.000 0.763 101 L CB -0.437 41.665 42.059 0.073 0.000 0.908 101 L HN 0.173 nan 8.230 nan 0.000 0.437 102 L N -1.038 120.068 121.223 -0.195 0.000 2.056 102 L HA -0.193 4.147 4.340 0.001 0.000 0.207 102 L C 2.493 179.271 176.870 -0.154 0.000 1.078 102 L CA 1.297 55.978 54.840 -0.265 0.000 0.749 102 L CB -0.783 40.996 42.059 -0.466 0.000 0.901 102 L HN 0.307 nan 8.230 nan 0.000 0.433 103 H N -0.505 118.520 119.070 -0.075 0.000 2.387 103 H HA -0.105 4.451 4.556 0.000 0.000 0.299 103 H C 2.093 177.397 175.328 -0.041 0.000 1.090 103 H CA 1.022 57.035 56.048 -0.059 0.000 1.332 103 H CB 0.088 29.818 29.762 -0.054 0.000 1.386 103 H HN 0.315 nan 8.280 nan 0.000 0.516 104 N N 0.750 119.498 118.700 0.080 0.000 2.069 104 N HA -0.131 4.610 4.740 0.001 0.000 0.191 104 N C 1.303 176.824 175.510 0.020 0.000 1.031 104 N CA 1.031 54.106 53.050 0.042 0.000 0.852 104 N CB -0.090 38.416 38.487 0.031 0.000 1.018 104 N HN 0.404 nan 8.380 nan 0.000 0.423 105 E N 0.689 120.892 120.200 0.006 0.000 2.445 105 E HA 0.063 4.413 4.350 0.001 0.000 0.189 105 E C -0.343 176.249 176.600 -0.013 0.000 1.069 105 E CA -0.146 56.249 56.400 -0.007 0.000 0.871 105 E CB -0.622 29.073 29.700 -0.008 0.000 0.991 105 E HN 0.398 nan 8.360 nan 0.000 0.481 106 N N 0.153 118.856 118.700 0.005 0.000 2.741 106 N HA -0.207 4.533 4.740 0.001 0.000 0.251 106 N C -0.326 175.181 175.510 -0.004 0.000 1.112 106 N CA 0.204 53.259 53.050 0.009 0.000 0.750 106 N CB -1.263 37.219 38.487 -0.009 0.000 1.119 106 N HN 0.219 nan 8.380 nan 0.000 0.561 107 I N 1.266 121.821 120.570 -0.025 0.000 2.519 107 I HA 0.191 4.361 4.170 0.001 0.000 0.287 107 I C 0.821 176.913 176.117 -0.041 0.000 1.047 107 I CA -0.405 60.863 61.300 -0.053 0.000 1.381 107 I CB 0.811 38.751 38.000 -0.100 0.000 1.417 107 I HN 0.043 nan 8.210 nan 0.000 0.540 108 I N 7.978 128.545 120.570 -0.006 0.000 2.352 108 I HA 0.206 4.376 4.170 0.001 0.000 0.290 108 I C -2.164 174.016 176.117 0.104 0.000 1.036 108 I CA -1.743 59.598 61.300 0.069 0.000 1.336 108 I CB 0.680 38.743 38.000 0.106 0.000 1.407 108 I HN 0.238 nan 8.210 nan 0.000 0.497 109 P HA 0.257 nan 4.420 nan 0.000 0.279 109 P C -0.203 176.843 177.300 -0.423 0.000 1.239 109 P CA -0.194 62.763 63.100 -0.237 0.000 0.789 109 P CB 1.174 32.683 31.700 -0.318 0.000 0.933 110 G N 1.347 109.665 108.800 -0.804 0.000 2.714 110 G HA2 0.701 4.661 3.960 0.001 0.000 0.292 110 G HA3 0.701 4.661 3.960 0.001 0.000 0.292 110 G C -1.772 172.665 174.900 -0.771 0.000 1.308 110 G CA -0.574 43.628 45.100 -1.496 0.000 0.964 110 G HN 0.494 nan 8.290 nan 0.000 0.484 111 I N -0.420 119.766 120.570 -0.640 0.000 2.607 111 I HA 0.428 4.598 4.170 0.001 0.000 0.290 111 I C -0.357 175.586 176.117 -0.291 0.000 1.129 111 I CA -1.257 59.757 61.300 -0.478 0.000 1.042 111 I CB 2.131 39.706 38.000 -0.707 0.000 1.242 111 I HN 0.384 nan 8.210 nan 0.000 0.421 112 K N 6.213 126.499 120.400 -0.190 0.000 2.379 112 K HA 0.322 4.642 4.320 0.001 0.000 0.284 112 K C 0.376 176.945 176.600 -0.052 0.000 1.044 112 K CA 0.178 56.428 56.287 -0.061 0.000 0.974 112 K CB 0.803 33.322 32.500 0.032 0.000 0.962 112 K HN 0.627 nan 8.250 nan 0.000 0.474 113 V N 0.628 120.572 119.914 0.049 0.000 3.556 113 V HA 0.075 4.195 4.120 0.001 0.000 0.287 113 V C 0.562 176.728 176.094 0.120 0.000 1.422 113 V CA -0.143 62.262 62.300 0.176 0.000 1.038 113 V CB -0.227 31.812 31.823 0.360 0.000 0.850 113 V HN 0.798 nan 8.190 nan 0.000 0.437 114 D N 1.254 121.590 120.400 -0.107 0.000 2.339 114 D HA 0.103 4.743 4.640 0.001 0.000 0.245 114 D C -0.211 175.926 176.300 -0.270 0.000 1.115 114 D CA -0.364 53.340 54.000 -0.493 0.000 0.917 114 D CB 1.630 41.812 40.800 -1.031 0.000 1.192 114 D HN 0.315 nan 8.370 nan 0.000 0.428 115 K N 1.118 121.344 120.400 -0.289 0.000 2.681 115 K HA 0.356 4.677 4.320 0.001 0.000 0.211 115 K C 0.656 177.166 176.600 -0.150 0.000 1.075 115 K CA -0.219 55.991 56.287 -0.129 0.000 1.141 115 K CB 0.368 32.836 32.500 -0.054 0.000 0.896 115 K HN 0.758 nan 8.250 nan 0.000 0.470 116 G N 1.106 109.770 108.800 -0.226 0.000 2.725 116 G HA2 -0.253 3.707 3.960 0.001 0.000 0.220 116 G HA3 -0.253 3.707 3.960 0.001 0.000 0.220 116 G C -0.774 174.017 174.900 -0.182 0.000 1.357 116 G CA -0.959 44.034 45.100 -0.179 0.000 0.866 116 G HN 0.145 nan 8.290 nan 0.000 0.548 117 L N -0.179 120.973 121.223 -0.118 0.000 2.331 117 L HA 0.819 5.159 4.340 0.001 0.000 0.275 117 L C 0.724 177.566 176.870 -0.047 0.000 1.022 117 L CA -1.145 53.643 54.840 -0.086 0.000 0.812 117 L CB 1.733 43.751 42.059 -0.068 0.000 1.257 117 L HN 1.092 nan 8.230 nan 0.000 0.435 118 V N -1.724 118.175 119.914 -0.025 0.000 3.078 118 V HA 0.537 4.657 4.120 0.001 0.000 0.311 118 V C -0.576 175.522 176.094 0.007 0.000 1.138 118 V CA -1.098 61.199 62.300 -0.006 0.000 1.007 118 V CB 1.869 33.694 31.823 0.003 0.000 1.045 118 V HN 0.649 nan 8.190 nan 0.000 0.432 119 N N 1.569 120.275 118.700 0.010 0.000 2.492 119 N HA 0.397 5.137 4.740 0.001 0.000 0.262 119 N C -0.367 175.157 175.510 0.024 0.000 1.202 119 N CA 0.045 53.105 53.050 0.016 0.000 0.926 119 N CB 1.068 39.563 38.487 0.013 0.000 1.078 119 N HN 0.730 nan 8.380 nan 0.000 0.454 120 I N 3.837 124.424 120.570 0.029 0.000 2.379 120 I HA 0.146 4.317 4.170 0.001 0.000 0.290 120 I C -1.863 174.270 176.117 0.027 0.000 1.063 120 I CA -1.682 59.639 61.300 0.034 0.000 1.351 120 I CB 0.760 38.785 38.000 0.041 0.000 1.410 120 I HN 0.190 nan 8.210 nan 0.000 0.505 121 P HA 0.035 nan 4.420 nan 0.000 0.269 121 P C 0.168 177.479 177.300 0.019 0.000 1.215 121 P CA -0.168 62.944 63.100 0.020 0.000 0.780 121 P CB 0.366 32.078 31.700 0.019 0.000 0.898 122 C N -0.514 118.795 119.300 0.015 0.000 4.417 122 C HA -0.111 4.349 4.460 0.001 0.000 0.284 122 C C 0.814 175.813 174.990 0.015 0.000 1.379 122 C CA 1.167 60.193 59.018 0.013 0.000 1.918 122 C CB -3.284 24.463 27.740 0.012 0.000 1.280 122 C HN 0.883 nan 8.230 nan 0.000 0.783 123 T N -3.660 110.904 114.554 0.017 0.000 2.906 123 T HA 0.564 4.914 4.350 0.001 0.000 0.295 123 T C -0.744 173.966 174.700 0.017 0.000 1.075 123 T CA -0.205 61.906 62.100 0.018 0.000 1.005 123 T CB 2.013 70.895 68.868 0.023 0.000 1.136 123 T HN 0.098 nan 8.240 nan 0.000 0.498 124 D N 1.206 121.615 120.400 0.016 0.000 2.600 124 D HA 0.123 4.763 4.640 0.001 0.000 0.226 124 D C 0.546 176.856 176.300 0.017 0.000 1.119 124 D CA 0.271 54.280 54.000 0.016 0.000 1.051 124 D CB -0.872 39.937 40.800 0.015 0.000 1.106 124 D HN 0.697 nan 8.370 nan 0.000 0.491 125 E N 0.651 120.860 120.200 0.016 0.000 2.722 125 E HA -0.243 4.107 4.350 0.001 0.000 0.265 125 E C -0.538 176.073 176.600 0.018 0.000 1.081 125 E CA 0.566 56.975 56.400 0.016 0.000 0.781 125 E CB -0.656 29.052 29.700 0.014 0.000 1.372 125 E HN 0.690 nan 8.360 nan 0.000 0.423 126 E N 0.469 120.681 120.200 0.021 0.000 2.390 126 E HA 0.138 4.489 4.350 0.001 0.000 0.261 126 E C 0.157 176.773 176.600 0.026 0.000 1.076 126 E CA 0.000 56.415 56.400 0.024 0.000 0.905 126 E CB 0.693 30.410 29.700 0.028 0.000 0.984 126 E HN -0.043 nan 8.360 nan 0.000 0.427 127 K N 1.262 121.677 120.400 0.026 0.000 2.138 127 K HA 0.315 4.635 4.320 0.001 0.000 0.263 127 K C -0.471 176.151 176.600 0.036 0.000 0.965 127 K CA -0.450 55.850 56.287 0.021 0.000 0.868 127 K CB 1.911 34.416 32.500 0.007 0.000 1.083 127 K HN 0.367 nan 8.250 nan 0.000 0.443 128 S N 1.079 116.800 115.700 0.036 0.000 2.503 128 S HA 0.438 4.909 4.470 0.001 0.000 0.301 128 S C -0.683 173.936 174.600 0.032 0.000 1.087 128 S CA -0.466 57.772 58.200 0.064 0.000 1.042 128 S CB 1.009 64.256 63.200 0.078 0.000 1.043 128 S HN 0.421 nan 8.310 nan 0.000 0.489 129 T N 4.907 119.497 114.554 0.059 0.000 2.799 129 T HA 0.381 4.731 4.350 0.001 0.000 0.286 129 T C -0.225 174.451 174.700 -0.040 0.000 0.973 129 T CA -0.498 61.538 62.100 -0.106 0.000 1.035 129 T CB 1.014 69.707 68.868 -0.292 0.000 0.932 129 T HN 0.654 nan 8.240 nan 0.000 0.469 130 Q N 0.839 120.528 119.800 -0.184 0.000 2.212 130 Q HA 0.585 4.926 4.340 0.001 0.000 0.238 130 Q C 0.888 176.796 176.000 -0.154 0.000 0.955 130 Q CA -0.614 55.159 55.803 -0.050 0.000 0.906 130 Q CB 1.647 30.364 28.738 -0.034 0.000 1.215 130 Q HN 1.010 nan 8.270 nan 0.000 0.478 131 G N -0.056 108.838 108.800 0.156 0.000 2.870 131 G HA2 -0.164 3.796 3.960 0.001 0.000 0.216 131 G HA3 -0.164 3.796 3.960 0.001 0.000 0.216 131 G C 0.578 175.722 174.900 0.405 0.000 0.973 131 G CA -0.390 44.855 45.100 0.241 0.000 0.807 131 G HN 0.501 nan 8.290 nan 0.000 0.573 132 L N 0.863 122.318 121.223 0.388 0.000 2.275 132 L HA 0.126 4.466 4.340 0.001 0.000 0.215 132 L C 0.392 177.345 176.870 0.138 0.000 1.119 132 L CA 0.645 55.617 54.840 0.220 0.000 0.790 132 L CB -0.267 41.876 42.059 0.139 0.000 0.919 132 L HN 0.068 nan 8.230 nan 0.000 0.443 133 D N 0.975 121.452 120.400 0.127 0.000 2.346 133 D HA 0.268 4.909 4.640 0.001 0.000 0.260 133 D C 1.153 177.494 176.300 0.069 0.000 1.252 133 D CA 1.027 55.076 54.000 0.081 0.000 0.895 133 D CB 0.862 41.703 40.800 0.069 0.000 1.097 133 D HN 0.283 nan 8.370 nan 0.000 0.489 134 G N 2.168 110.996 108.800 0.046 0.000 2.148 134 G HA2 -0.335 3.625 3.960 0.001 0.000 0.254 134 G HA3 -0.335 3.625 3.960 0.001 0.000 0.254 134 G C 1.009 175.926 174.900 0.028 0.000 0.981 134 G CA 0.396 45.511 45.100 0.024 0.000 0.670 134 G HN 0.502 nan 8.290 nan 0.000 0.528 135 L N 0.798 122.059 121.223 0.063 0.000 2.046 135 L HA 0.327 4.667 4.340 0.001 0.000 0.208 135 L C 2.983 179.878 176.870 0.040 0.000 1.077 135 L CA 3.150 58.046 54.840 0.093 0.000 0.747 135 L CB -1.011 41.135 42.059 0.143 0.000 0.896 135 L HN 0.741 nan 8.230 nan 0.000 0.432 136 A N -0.810 122.015 122.820 0.009 0.000 1.917 136 A HA -0.214 4.106 4.320 0.001 0.000 0.219 136 A C 2.143 179.705 177.584 -0.036 0.000 1.182 136 A CA 1.887 53.913 52.037 -0.018 0.000 0.633 136 A CB -0.580 18.404 19.000 -0.028 0.000 0.819 136 A HN 0.547 nan 8.150 nan 0.000 0.448 137 E N -0.157 120.017 120.200 -0.043 0.000 2.072 137 E HA -0.127 4.223 4.350 0.001 0.000 0.191 137 E C 2.240 178.761 176.600 -0.131 0.000 0.985 137 E CA 0.877 57.236 56.400 -0.068 0.000 0.801 137 E CB -0.394 29.272 29.700 -0.057 0.000 0.750 137 E HN 0.629 nan 8.360 nan 0.000 0.452 138 R N 0.154 120.549 120.500 -0.174 0.000 2.096 138 R HA -0.073 4.268 4.340 0.001 0.000 0.235 138 R C 2.566 178.535 176.300 -0.551 0.000 1.127 138 R CA 1.301 57.137 56.100 -0.440 0.000 0.968 138 R CB -0.587 29.510 30.300 -0.337 0.000 0.861 138 R HN 0.198 nan 8.270 nan 0.000 0.440 139 C N 0.945 120.159 119.300 -0.144 0.000 2.429 139 C HA -0.088 4.372 4.460 0.001 0.000 0.277 139 C C 2.457 177.476 174.990 0.048 0.000 1.262 139 C CA 0.721 59.768 59.018 0.048 0.000 1.733 139 C CB -0.625 27.157 27.740 0.070 0.000 2.010 139 C HN 0.462 nan 8.230 nan 0.000 0.483 140 K N 0.541 120.931 120.400 -0.017 0.000 2.063 140 K HA -0.203 4.117 4.320 0.001 0.000 0.208 140 K C 2.107 178.740 176.600 0.056 0.000 1.048 140 K CA 1.461 57.755 56.287 0.012 0.000 0.928 140 K CB -0.248 32.237 32.500 -0.026 0.000 0.713 140 K HN 0.572 nan 8.250 nan 0.000 0.442 141 E N -0.243 119.936 120.200 -0.034 0.000 2.072 141 E HA -0.180 4.171 4.350 0.001 0.000 0.191 141 E C 1.708 178.406 176.600 0.163 0.000 0.985 141 E CA 1.115 57.523 56.400 0.013 0.000 0.801 141 E CB 0.072 29.700 29.700 -0.120 0.000 0.750 141 E HN 0.301 nan 8.360 nan 0.000 0.452 142 Y N -1.017 119.365 120.300 0.138 0.000 2.314 142 Y HA -0.172 4.378 4.550 0.001 0.000 0.293 142 Y C 2.018 177.932 175.900 0.022 0.000 1.129 142 Y CA 0.776 58.903 58.100 0.044 0.000 1.201 142 Y CB -0.978 37.488 38.460 0.010 0.000 0.999 142 Y HN 0.232 nan 8.280 nan 0.000 0.541 143 Y N 1.016 121.392 120.300 0.126 0.000 2.200 143 Y HA -0.187 4.362 4.550 -0.001 0.000 0.290 143 Y C 2.187 178.116 175.900 0.049 0.000 1.137 143 Y CA 1.638 59.775 58.100 0.061 0.000 1.163 143 Y CB -0.143 38.342 38.460 0.042 0.000 0.988 143 Y HN -0.047 nan 8.280 nan 0.000 0.518 144 K N -0.188 120.356 120.400 0.239 0.000 2.103 144 K HA -0.166 4.155 4.320 0.001 0.000 0.207 144 K C 2.136 178.777 176.600 0.069 0.000 1.048 144 K CA 1.164 57.543 56.287 0.154 0.000 0.930 144 K CB -0.345 32.252 32.500 0.161 0.000 0.716 144 K HN 0.373 nan 8.250 nan 0.000 0.444 145 A N 0.086 122.946 122.820 0.068 0.000 2.168 145 A HA 0.082 4.402 4.320 0.001 0.000 0.215 145 A C 1.547 179.052 177.584 -0.132 0.000 1.152 145 A CA 1.343 53.352 52.037 -0.046 0.000 0.716 145 A CB -0.241 18.570 19.000 -0.315 0.000 0.794 145 A HN 0.481 nan 8.150 nan 0.000 0.465 146 G N -2.579 106.131 108.800 -0.148 0.000 2.255 146 G HA2 0.185 4.145 3.960 0.001 0.000 0.196 146 G HA3 0.185 4.145 3.960 0.001 0.000 0.196 146 G C 0.413 175.184 174.900 -0.215 0.000 0.998 146 G CA 0.002 45.007 45.100 -0.159 0.000 0.656 146 G HN 1.478 nan 8.290 nan 0.000 0.490 147 A N 0.547 123.231 122.820 -0.227 0.000 2.488 147 A HA 0.660 4.981 4.320 0.001 0.000 0.249 147 A C 1.279 178.762 177.584 -0.168 0.000 1.083 147 A CA 0.482 52.382 52.037 -0.230 0.000 0.768 147 A CB 0.263 19.129 19.000 -0.225 0.000 1.017 147 A HN 0.260 nan 8.150 nan 0.000 0.496 148 R N 0.950 121.396 120.500 -0.090 0.000 2.476 148 R HA 0.227 4.567 4.340 0.001 0.000 0.276 148 R C -0.870 175.580 176.300 0.250 0.000 0.941 148 R CA 0.365 56.514 56.100 0.082 0.000 1.088 148 R CB -0.069 30.289 30.300 0.096 0.000 1.216 148 R HN 0.811 nan 8.270 nan 0.000 0.533 149 F N -2.208 117.744 119.950 0.002 0.000 2.693 149 F HA 0.803 5.333 4.527 0.005 0.000 0.309 149 F C -1.552 174.266 175.800 0.030 0.000 1.129 149 F CA -1.737 56.271 58.000 0.013 0.000 0.948 149 F CB 0.925 39.916 39.000 -0.015 0.000 1.315 149 F HN -0.143 nan 8.300 nan 0.000 0.447 150 A N 1.957 124.881 122.820 0.174 0.000 2.435 150 A HA 0.868 5.188 4.320 0.001 0.000 0.296 150 A C -1.523 176.238 177.584 0.295 0.000 1.147 150 A CA -0.962 51.163 52.037 0.146 0.000 0.775 150 A CB 2.095 21.262 19.000 0.279 0.000 1.340 150 A HN 0.928 nan 8.150 nan 0.000 0.427 151 K N 0.759 121.298 120.400 0.233 0.000 2.501 151 K HA 0.378 4.698 4.320 0.001 0.000 0.252 151 K C -2.267 174.361 176.600 0.048 0.000 0.934 151 K CA -0.366 56.033 56.287 0.186 0.000 0.797 151 K CB 1.839 34.404 32.500 0.108 0.000 1.270 151 K HN 0.799 nan 8.250 nan 0.000 0.431 152 W N 6.495 127.563 121.300 -0.386 0.000 2.756 152 W HA 0.360 5.019 4.660 -0.003 0.000 0.333 152 W C -1.584 174.738 176.519 -0.328 0.000 1.025 152 W CA -0.631 56.348 57.345 -0.610 0.000 1.246 152 W CB 1.234 29.726 29.460 -1.614 0.000 1.358 152 W HN 0.698 nan 8.180 nan 0.000 0.444 153 R N 4.195 124.519 120.500 -0.293 0.000 2.294 153 R HA 0.524 4.864 4.340 0.001 0.000 0.319 153 R C -0.404 175.783 176.300 -0.188 0.000 0.984 153 R CA 0.167 56.175 56.100 -0.153 0.000 0.861 153 R CB 1.123 31.348 30.300 -0.126 0.000 1.104 153 R HN 0.414 nan 8.270 nan 0.000 0.451 154 T N 0.291 114.840 114.554 -0.008 0.000 2.912 154 T HA 0.528 4.879 4.350 0.001 0.000 0.288 154 T C -0.594 174.118 174.700 0.020 0.000 1.030 154 T CA -0.811 61.302 62.100 0.022 0.000 1.020 154 T CB 2.037 70.988 68.868 0.138 0.000 1.056 154 T HN 0.243 nan 8.240 nan 0.000 0.480 155 V N 2.585 122.508 119.914 0.015 0.000 2.483 155 V HA 0.535 4.656 4.120 0.001 0.000 0.297 155 V C -0.843 175.267 176.094 0.027 0.000 1.027 155 V CA -0.768 61.543 62.300 0.018 0.000 0.855 155 V CB 1.282 33.109 31.823 0.006 0.000 0.995 155 V HN 0.774 nan 8.190 nan 0.000 0.424 156 L N 5.422 126.661 121.223 0.027 0.000 2.333 156 L HA 0.811 5.152 4.340 0.001 0.000 0.269 156 L C -0.463 176.417 176.870 0.016 0.000 1.010 156 L CA -0.758 54.095 54.840 0.023 0.000 0.818 156 L CB 2.086 44.158 42.059 0.021 0.000 1.306 156 L HN 0.373 nan 8.230 nan 0.000 0.430 157 V N 1.576 121.497 119.914 0.011 0.000 2.628 157 V HA 0.494 4.615 4.120 0.001 0.000 0.306 157 V C -0.210 175.871 176.094 -0.022 0.000 1.045 157 V CA -0.569 61.736 62.300 0.009 0.000 0.905 157 V CB 1.966 33.803 31.823 0.025 0.000 0.997 157 V HN 0.501 nan 8.190 nan 0.000 0.436 158 I N 3.709 124.246 120.570 -0.055 0.000 2.307 158 I HA 0.402 4.572 4.170 0.001 0.000 0.289 158 I C -0.610 175.481 176.117 -0.042 0.000 1.021 158 I CA 0.263 61.479 61.300 -0.140 0.000 1.224 158 I CB 0.909 38.628 38.000 -0.469 0.000 1.376 158 I HN 0.638 nan 8.210 nan 0.000 0.470 159 D N 4.970 125.360 120.400 -0.017 0.000 2.402 159 D HA 0.088 4.728 4.640 0.001 0.000 0.252 159 D C 1.065 177.371 176.300 0.009 0.000 1.294 159 D CA -0.299 53.715 54.000 0.023 0.000 0.948 159 D CB 1.526 42.345 40.800 0.033 0.000 1.202 159 D HN 0.614 nan 8.370 nan 0.000 0.561 160 T N 0.660 115.222 114.554 0.014 0.000 2.833 160 T HA -0.090 4.261 4.350 0.001 0.000 0.269 160 T C 1.821 176.531 174.700 0.015 0.000 1.054 160 T CA 1.156 63.261 62.100 0.009 0.000 1.135 160 T CB 0.012 68.892 68.868 0.020 0.000 0.869 160 T HN 0.259 nan 8.240 nan 0.000 0.466 161 A N 1.932 124.765 122.820 0.022 0.000 1.929 161 A HA 0.086 4.407 4.320 0.001 0.000 0.216 161 A C 2.261 179.855 177.584 0.016 0.000 1.176 161 A CA 1.053 53.102 52.037 0.020 0.000 0.628 161 A CB -0.366 18.648 19.000 0.023 0.000 0.816 161 A HN 0.551 nan 8.150 nan 0.000 0.444 162 K N -1.334 119.076 120.400 0.017 0.000 2.417 162 K HA 0.247 4.568 4.320 0.001 0.000 0.196 162 K C 0.956 177.563 176.600 0.011 0.000 1.023 162 K CA 0.423 56.719 56.287 0.014 0.000 1.122 162 K CB 0.087 32.597 32.500 0.017 0.000 0.850 162 K HN 0.603 nan 8.250 nan 0.000 0.521 163 G N 2.226 111.031 108.800 0.008 0.000 2.162 163 G HA2 -0.322 3.638 3.960 0.001 0.000 0.260 163 G HA3 -0.322 3.638 3.960 0.001 0.000 0.260 163 G C -0.194 174.708 174.900 0.003 0.000 0.976 163 G CA 0.208 45.311 45.100 0.005 0.000 0.655 163 G HN 0.282 nan 8.290 nan 0.000 0.533 164 K N 1.636 122.037 120.400 0.002 0.000 2.350 164 K HA 0.376 4.697 4.320 0.001 0.000 0.279 164 K C -2.210 174.379 176.600 -0.018 0.000 1.027 164 K CA -1.335 54.952 56.287 -0.001 0.000 0.969 164 K CB 0.992 33.495 32.500 0.005 0.000 0.954 164 K HN 0.115 nan 8.250 nan 0.000 0.474 165 P HA -0.016 nan 4.420 nan 0.000 0.276 165 P C -0.346 176.962 177.300 0.013 0.000 1.235 165 P CA -0.323 62.780 63.100 0.005 0.000 0.772 165 P CB 0.727 32.432 31.700 0.009 0.000 0.871 166 T N -0.561 114.005 114.554 0.020 0.000 2.849 166 T HA 0.140 4.491 4.350 0.001 0.000 0.284 166 T C 0.961 175.680 174.700 0.032 0.000 1.004 166 T CA -0.368 61.745 62.100 0.021 0.000 1.021 166 T CB 0.384 69.264 68.868 0.019 0.000 1.013 166 T HN 0.184 nan 8.240 nan 0.000 0.527 167 D N 0.004 120.421 120.400 0.028 0.000 2.123 167 D HA -0.093 4.547 4.640 0.001 0.000 0.196 167 D C 1.989 178.326 176.300 0.062 0.000 0.992 167 D CA 0.792 54.815 54.000 0.038 0.000 0.833 167 D CB -0.305 40.502 40.800 0.012 0.000 0.954 167 D HN 0.482 nan 8.370 nan 0.000 0.455 168 L N 0.519 121.771 121.223 0.047 0.000 2.012 168 L HA -0.234 4.107 4.340 0.001 0.000 0.210 168 L C 2.425 179.347 176.870 0.086 0.000 1.073 168 L CA 1.502 56.379 54.840 0.061 0.000 0.748 168 L CB -0.274 41.808 42.059 0.039 0.000 0.891 168 L HN 0.042 nan 8.230 nan 0.000 0.431 169 S N -0.020 115.721 115.700 0.068 0.000 2.356 169 S HA -0.201 4.269 4.470 0.001 0.000 0.223 169 S C 1.929 176.580 174.600 0.085 0.000 1.032 169 S CA 1.439 59.680 58.200 0.069 0.000 1.005 169 S CB -0.376 62.854 63.200 0.049 0.000 0.867 169 S HN 0.436 nan 8.310 nan 0.000 0.449 170 I N 0.536 121.160 120.570 0.089 0.000 2.226 170 I HA -0.167 4.003 4.170 0.001 0.000 0.245 170 I C 2.725 178.925 176.117 0.137 0.000 1.100 170 I CA 1.660 63.020 61.300 0.099 0.000 1.374 170 I CB -0.496 37.560 38.000 0.095 0.000 1.057 170 I HN 0.490 nan 8.210 nan 0.000 0.413 171 H N 0.242 119.350 119.070 0.065 0.000 2.415 171 H HA -0.135 4.422 4.556 0.000 0.000 0.297 171 H C 2.130 177.539 175.328 0.135 0.000 1.048 171 H CA 1.328 57.429 56.048 0.087 0.000 1.365 171 H CB 0.424 30.208 29.762 0.037 0.000 1.421 171 H HN 0.224 nan 8.280 nan 0.000 0.533 172 E N 0.495 120.787 120.200 0.154 0.000 2.058 172 E HA -0.127 4.224 4.350 0.001 0.000 0.194 172 E C 2.057 178.737 176.600 0.132 0.000 0.997 172 E CA 2.161 58.646 56.400 0.142 0.000 0.801 172 E CB -0.454 29.321 29.700 0.125 0.000 0.746 172 E HN 0.276 nan 8.360 nan 0.000 0.450 173 T N 0.324 114.941 114.554 0.106 0.000 2.674 173 T HA -0.102 4.248 4.350 0.001 0.000 0.265 173 T C 1.822 176.553 174.700 0.052 0.000 1.039 173 T CA 1.892 64.053 62.100 0.102 0.000 1.150 173 T CB -0.676 68.241 68.868 0.082 0.000 0.864 173 T HN 0.387 nan 8.240 nan 0.000 0.427 174 A N 0.947 123.769 122.820 0.005 0.000 1.877 174 A HA -0.121 4.200 4.320 0.001 0.000 0.216 174 A C 2.205 179.739 177.584 -0.082 0.000 1.186 174 A CA 1.330 53.334 52.037 -0.055 0.000 0.620 174 A CB -1.064 17.902 19.000 -0.057 0.000 0.822 174 A HN 0.742 nan 8.150 nan 0.000 0.443 175 W N 0.579 121.688 121.300 -0.318 0.000 2.418 175 W HA -0.090 4.569 4.660 -0.000 0.000 0.292 175 W C 2.112 178.532 176.519 -0.165 0.000 1.213 175 W CA 1.296 58.481 57.345 -0.265 0.000 1.283 175 W CB -0.313 28.979 29.460 -0.279 0.000 1.119 175 W HN 0.399 nan 8.180 nan 0.000 0.542 176 G N 1.187 109.984 108.800 -0.005 0.000 2.421 176 G HA2 -0.282 3.678 3.960 0.001 0.000 0.216 176 G HA3 -0.282 3.678 3.960 0.001 0.000 0.216 176 G C 1.585 176.235 174.900 -0.417 0.000 1.171 176 G CA 1.065 46.107 45.100 -0.095 0.000 0.775 176 G HN 0.220 nan 8.290 nan 0.000 0.543 177 L N 0.707 121.748 121.223 -0.304 0.000 2.046 177 L HA -0.074 4.266 4.340 0.001 0.000 0.208 177 L C 3.422 180.093 176.870 -0.332 0.000 1.077 177 L CA 1.052 55.689 54.840 -0.339 0.000 0.747 177 L CB -0.351 41.626 42.059 -0.136 0.000 0.896 177 L HN 0.314 nan 8.230 nan 0.000 0.432 178 A N -0.324 122.260 122.820 -0.394 0.000 1.902 178 A HA -0.184 4.136 4.320 0.001 0.000 0.217 178 A C 2.396 179.658 177.584 -0.537 0.000 1.181 178 A CA 1.294 53.050 52.037 -0.468 0.000 0.623 178 A CB -0.388 18.275 19.000 -0.562 0.000 0.818 178 A HN 0.241 nan 8.150 nan 0.000 0.443 179 R N -1.381 118.744 120.500 -0.625 0.000 2.073 179 R HA -0.159 4.181 4.340 0.001 0.000 0.234 179 R C 2.165 178.208 176.300 -0.428 0.000 1.134 179 R CA 1.818 57.604 56.100 -0.523 0.000 0.952 179 R CB -1.203 28.811 30.300 -0.476 0.000 0.850 179 R HN 0.799 nan 8.270 nan 0.000 0.433 180 Y N 1.235 121.134 120.300 -0.669 0.000 2.097 180 Y HA -0.221 4.328 4.550 -0.002 0.000 0.282 180 Y C 2.253 177.918 175.900 -0.392 0.000 1.152 180 Y CA 1.526 59.228 58.100 -0.664 0.000 1.136 180 Y CB -0.695 36.999 38.460 -1.277 0.000 0.975 180 Y HN 0.050 nan 8.280 nan 0.000 0.498 181 A N 0.664 122.934 122.820 -0.916 0.000 1.892 181 A HA -0.274 4.046 4.320 0.001 0.000 0.218 181 A C 2.485 179.763 177.584 -0.509 0.000 1.188 181 A CA 3.019 54.568 52.037 -0.814 0.000 0.631 181 A CB -1.531 17.176 19.000 -0.487 0.000 0.822 181 A HN 0.728 nan 8.150 nan 0.000 0.447 182 S N -0.162 115.299 115.700 -0.399 0.000 2.383 182 S HA -0.064 4.406 4.470 0.001 0.000 0.227 182 S C 1.850 176.308 174.600 -0.237 0.000 1.026 182 S CA 1.315 59.346 58.200 -0.282 0.000 0.981 182 S CB -0.708 62.335 63.200 -0.262 0.000 0.818 182 S HN 0.483 nan 8.310 nan 0.000 0.472 183 I N 1.422 121.842 120.570 -0.250 0.000 2.252 183 I HA -0.168 4.002 4.170 0.001 0.000 0.245 183 I C 2.611 178.633 176.117 -0.159 0.000 1.102 183 I CA 0.845 62.042 61.300 -0.171 0.000 1.385 183 I CB -0.686 37.238 38.000 -0.126 0.000 1.064 183 I HN 0.384 nan 8.210 nan 0.000 0.414 184 C N 0.428 119.589 119.300 -0.232 0.000 2.413 184 C HA -0.206 4.254 4.460 0.001 0.000 0.277 184 C C 2.864 177.775 174.990 -0.131 0.000 1.228 184 C CA 0.975 59.889 59.018 -0.172 0.000 1.731 184 C CB -1.195 26.371 27.740 -0.289 0.000 2.042 184 C HN 0.517 nan 8.230 nan 0.000 0.468 185 Q N -0.051 119.647 119.800 -0.169 0.000 2.135 185 Q HA -0.281 4.059 4.340 0.001 0.000 0.204 185 Q C 2.268 178.204 176.000 -0.106 0.000 0.981 185 Q CA 1.525 57.254 55.803 -0.122 0.000 0.856 185 Q CB -0.357 28.301 28.738 -0.133 0.000 0.902 185 Q HN 0.730 nan 8.270 nan 0.000 0.425 186 Q N 0.581 120.312 119.800 -0.115 0.000 2.124 186 Q HA -0.120 4.220 4.340 0.001 0.000 0.202 186 Q C 0.624 176.560 176.000 -0.107 0.000 0.977 186 Q CA 0.926 56.668 55.803 -0.102 0.000 0.850 186 Q CB 0.259 28.939 28.738 -0.097 0.000 0.901 186 Q HN 0.345 nan 8.270 nan 0.000 0.429 187 N N 0.412 119.049 118.700 -0.104 0.000 2.320 187 N HA 0.109 4.849 4.740 0.001 0.000 0.237 187 N C -0.695 174.724 175.510 -0.150 0.000 1.129 187 N CA 0.064 53.043 53.050 -0.118 0.000 0.854 187 N CB 0.577 39.022 38.487 -0.069 0.000 1.083 187 N HN 0.200 nan 8.380 nan 0.000 0.504 188 R N -0.179 120.236 120.500 -0.141 0.000 3.776 188 R HA -0.137 4.203 4.340 0.001 0.000 0.312 188 R C -0.759 175.587 176.300 0.077 0.000 1.181 188 R CA 0.608 56.633 56.100 -0.124 0.000 0.836 188 R CB -2.123 27.909 30.300 -0.447 0.000 1.324 188 R HN 0.257 nan 8.270 nan 0.000 0.501 189 L N 0.449 121.713 121.223 0.068 0.000 2.341 189 L HA 0.466 4.807 4.340 0.001 0.000 0.278 189 L C 0.604 177.514 176.870 0.066 0.000 1.005 189 L CA -1.149 53.768 54.840 0.127 0.000 0.818 189 L CB 2.175 44.314 42.059 0.133 0.000 1.259 189 L HN -0.225 nan 8.230 nan 0.000 0.418 190 V N 4.956 124.942 119.914 0.120 0.000 2.446 190 V HA 0.137 4.257 4.120 0.001 0.000 0.276 190 V C -1.881 174.269 176.094 0.093 0.000 1.030 190 V CA -0.983 61.363 62.300 0.075 0.000 1.033 190 V CB 0.775 32.645 31.823 0.078 0.000 0.993 190 V HN 0.560 nan 8.190 nan 0.000 0.477 191 P HA 0.356 nan 4.420 nan 0.000 0.293 191 P C -0.474 176.887 177.300 0.102 0.000 1.300 191 P CA -0.350 62.735 63.100 -0.026 0.000 0.792 191 P CB 0.859 32.278 31.700 -0.468 0.000 0.925 192 I N 3.917 124.643 120.570 0.261 0.000 2.363 192 I HA 0.090 4.261 4.170 0.001 0.000 0.292 192 I C 0.349 176.609 176.117 0.239 0.000 1.075 192 I CA -0.626 60.782 61.300 0.181 0.000 1.333 192 I CB 0.788 38.893 38.000 0.175 0.000 1.415 192 I HN 0.025 nan 8.210 nan 0.000 0.502 193 V N 6.799 126.785 119.914 0.120 0.000 2.389 193 V HA 0.126 4.246 4.120 0.001 0.000 0.264 193 V C 0.422 176.536 176.094 0.034 0.000 1.049 193 V CA -0.317 62.041 62.300 0.097 0.000 0.932 193 V CB 0.791 32.569 31.823 -0.075 0.000 1.011 193 V HN 0.714 nan 8.190 nan 0.000 0.475 194 E N 8.109 128.354 120.200 0.075 0.000 2.256 194 E HA 0.358 4.708 4.350 0.001 0.000 0.243 194 E C -2.610 174.025 176.600 0.059 0.000 0.925 194 E CA -1.966 54.466 56.400 0.054 0.000 0.748 194 E CB 1.759 31.494 29.700 0.059 0.000 1.206 194 E HN 0.465 nan 8.360 nan 0.000 0.428 195 P HA 0.180 nan 4.420 nan 0.000 0.219 195 P C -0.835 176.488 177.300 0.039 0.000 1.847 195 P CA -0.358 62.764 63.100 0.038 0.000 1.110 195 P CB 0.205 31.915 31.700 0.016 0.000 1.839 196 E N 3.410 123.637 120.200 0.044 0.000 2.265 196 E HA 0.151 4.501 4.350 0.001 0.000 0.272 196 E C -0.502 176.121 176.600 0.039 0.000 1.067 196 E CA -0.422 56.007 56.400 0.048 0.000 0.900 196 E CB 0.240 29.970 29.700 0.050 0.000 1.017 196 E HN 0.369 nan 8.360 nan 0.000 0.431 197 I N 6.638 127.229 120.570 0.035 0.000 2.301 197 I HA 0.104 4.274 4.170 0.001 0.000 0.292 197 I C 0.231 176.361 176.117 0.023 0.000 1.046 197 I CA -0.498 60.813 61.300 0.018 0.000 1.282 197 I CB 0.562 38.562 38.000 0.000 0.000 1.409 197 I HN 0.470 nan 8.210 nan 0.000 0.484 198 L N 5.557 126.798 121.223 0.030 0.000 2.485 198 L HA 0.079 4.419 4.340 0.001 0.000 0.275 198 L C 1.538 178.423 176.870 0.026 0.000 1.207 198 L CA -0.023 54.846 54.840 0.048 0.000 0.855 198 L CB 0.694 42.796 42.059 0.072 0.000 1.114 198 L HN 0.721 nan 8.230 nan 0.000 0.485 199 A N 1.810 124.595 122.820 -0.060 0.000 2.235 199 A HA -0.017 4.303 4.320 0.001 0.000 0.208 199 A C 0.466 177.816 177.584 -0.390 0.000 1.172 199 A CA -0.006 51.839 52.037 -0.321 0.000 0.786 199 A CB -0.676 17.868 19.000 -0.760 0.000 0.804 199 A HN 0.829 nan 8.150 nan 0.000 0.479 200 D N -0.210 120.189 120.400 -0.003 0.000 2.472 200 D HA 0.429 5.069 4.640 0.001 0.000 0.237 200 D C 0.801 177.189 176.300 0.146 0.000 1.141 200 D CA 1.938 56.048 54.000 0.184 0.000 0.875 200 D CB 0.426 41.351 40.800 0.209 0.000 1.192 200 D HN 0.614 nan 8.370 nan 0.000 0.450 201 G N 2.244 111.112 108.800 0.113 0.000 2.462 201 G HA2 -0.045 3.915 3.960 0.001 0.000 0.685 201 G HA3 -0.045 3.915 3.960 0.001 0.000 0.685 201 G C -2.663 172.185 174.900 -0.087 0.000 1.295 201 G CA -0.817 44.333 45.100 0.084 0.000 0.941 201 G HN 0.386 nan 8.290 nan 0.000 0.554 202 P HA 0.212 nan 4.420 nan 0.000 0.278 202 P C 0.295 177.525 177.300 -0.117 0.000 1.502 202 P CA -0.042 63.000 63.100 -0.096 0.000 1.114 202 P CB -0.404 31.290 31.700 -0.010 0.000 1.541 203 H N -0.599 118.466 119.070 -0.009 0.000 2.790 203 H HA 0.414 4.969 4.556 -0.002 0.000 0.358 203 H C 0.586 175.905 175.328 -0.015 0.000 1.103 203 H CA -0.688 55.354 56.048 -0.010 0.000 1.426 203 H CB -0.074 29.679 29.762 -0.015 0.000 1.424 203 H HN -0.069 nan 8.280 nan 0.000 0.599 204 S N 2.180 117.948 115.700 0.113 0.000 2.624 204 S HA 0.053 4.524 4.470 0.001 0.000 0.263 204 S C 1.394 176.066 174.600 0.119 0.000 1.287 204 S CA -0.561 57.678 58.200 0.066 0.000 0.990 204 S CB 0.733 63.966 63.200 0.055 0.000 0.950 204 S HN 0.822 nan 8.310 nan 0.000 0.561 205 I N 0.518 121.131 120.570 0.071 0.000 2.361 205 I HA -0.159 4.011 4.170 0.001 0.000 0.251 205 I C 2.093 178.254 176.117 0.074 0.000 1.133 205 I CA 1.496 62.840 61.300 0.073 0.000 1.413 205 I CB -0.229 37.803 38.000 0.053 0.000 1.073 205 I HN 0.759 nan 8.210 nan 0.000 0.424 206 E N -0.056 120.187 120.200 0.071 0.000 2.072 206 E HA -0.180 4.170 4.350 0.001 0.000 0.191 206 E C 2.125 178.753 176.600 0.047 0.000 0.985 206 E CA 1.439 57.876 56.400 0.061 0.000 0.801 206 E CB -0.184 29.553 29.700 0.061 0.000 0.750 206 E HN 0.340 nan 8.360 nan 0.000 0.452 207 V N 0.523 120.471 119.914 0.057 0.000 2.343 207 V HA -0.302 3.819 4.120 0.001 0.000 0.247 207 V C 2.417 178.501 176.094 -0.018 0.000 1.051 207 V CA 1.644 63.960 62.300 0.027 0.000 1.036 207 V CB -0.559 31.292 31.823 0.047 0.000 0.654 207 V HN 0.543 nan 8.190 nan 0.000 0.451 208 C N 0.666 119.974 119.300 0.013 0.000 2.429 208 C HA -0.089 4.372 4.460 0.001 0.000 0.277 208 C C 3.089 178.070 174.990 -0.014 0.000 1.262 208 C CA 0.832 59.833 59.018 -0.028 0.000 1.733 208 C CB -1.236 26.544 27.740 0.067 0.000 2.010 208 C HN 0.572 nan 8.230 nan 0.000 0.483 209 A N -0.018 122.805 122.820 0.005 0.000 1.902 209 A HA -0.067 4.254 4.320 0.001 0.000 0.217 209 A C 2.363 179.944 177.584 -0.005 0.000 1.181 209 A CA 2.288 54.323 52.037 -0.004 0.000 0.623 209 A CB -0.867 18.131 19.000 -0.004 0.000 0.818 209 A HN 0.486 nan 8.150 nan 0.000 0.443 210 V N -0.527 119.386 119.914 -0.002 0.000 2.358 210 V HA -0.203 3.918 4.120 0.001 0.000 0.246 210 V C 2.563 178.653 176.094 -0.007 0.000 1.047 210 V CA 1.947 64.246 62.300 -0.000 0.000 1.035 210 V CB -0.568 31.258 31.823 0.004 0.000 0.658 210 V HN 0.377 nan 8.190 nan 0.000 0.452 211 V N -0.333 119.566 119.914 -0.025 0.000 2.379 211 V HA -0.221 3.899 4.120 0.001 0.000 0.245 211 V C 2.559 178.646 176.094 -0.011 0.000 1.044 211 V CA 2.466 64.748 62.300 -0.030 0.000 1.036 211 V CB -0.901 30.878 31.823 -0.073 0.000 0.664 211 V HN 0.594 nan 8.190 nan 0.000 0.453 212 T N -0.522 114.026 114.554 -0.010 0.000 2.746 212 T HA -0.295 4.056 4.350 0.001 0.000 0.267 212 T C 1.892 176.606 174.700 0.022 0.000 1.039 212 T CA 1.973 64.079 62.100 0.009 0.000 1.142 212 T CB -0.219 68.656 68.868 0.011 0.000 0.866 212 T HN 0.551 nan 8.240 nan 0.000 0.444 213 Q N 0.935 120.744 119.800 0.015 0.000 2.050 213 Q HA -0.151 4.189 4.340 0.001 0.000 0.202 213 Q C 2.357 178.379 176.000 0.036 0.000 0.980 213 Q CA 1.584 57.399 55.803 0.021 0.000 0.840 213 Q CB -0.097 28.647 28.738 0.011 0.000 0.898 213 Q HN 0.437 nan 8.270 nan 0.000 0.424 214 K N -0.458 119.960 120.400 0.031 0.000 2.026 214 K HA -0.142 4.178 4.320 0.001 0.000 0.208 214 K C 1.949 178.583 176.600 0.057 0.000 1.048 214 K CA 1.519 57.830 56.287 0.040 0.000 0.929 214 K CB -0.039 32.478 32.500 0.029 0.000 0.713 214 K HN 0.134 nan 8.250 nan 0.000 0.439 215 V N 1.733 121.676 119.914 0.050 0.000 2.295 215 V HA -0.257 3.864 4.120 0.001 0.000 0.246 215 V C 2.337 178.478 176.094 0.079 0.000 1.049 215 V CA 1.643 63.978 62.300 0.057 0.000 1.024 215 V CB -0.340 31.507 31.823 0.040 0.000 0.648 215 V HN 0.343 nan 8.190 nan 0.000 0.447 216 L N 0.060 121.340 121.223 0.095 0.000 2.093 216 L HA -0.145 4.195 4.340 0.001 0.000 0.208 216 L C 2.753 179.774 176.870 0.252 0.000 1.085 216 L CA 1.758 56.702 54.840 0.173 0.000 0.755 216 L CB -0.693 41.471 42.059 0.175 0.000 0.904 216 L HN 0.477 nan 8.230 nan 0.000 0.435 217 S N -0.706 115.089 115.700 0.158 0.000 2.370 217 S HA -0.288 4.183 4.470 0.001 0.000 0.226 217 S C 2.218 176.918 174.600 0.166 0.000 1.033 217 S CA 1.768 60.056 58.200 0.146 0.000 1.011 217 S CB -0.542 62.710 63.200 0.087 0.000 0.852 217 S HN 0.590 nan 8.310 nan 0.000 0.457 218 C N 0.531 119.915 119.300 0.140 0.000 2.457 218 C HA 0.155 4.616 4.460 0.001 0.000 0.278 218 C C 2.547 177.607 174.990 0.117 0.000 1.309 218 C CA 0.713 59.818 59.018 0.144 0.000 1.735 218 C CB -1.494 26.332 27.740 0.144 0.000 1.992 218 C HN 0.494 nan 8.230 nan 0.000 0.493 219 V N 0.445 120.403 119.914 0.072 0.000 2.295 219 V HA -0.164 3.956 4.120 0.001 0.000 0.246 219 V C 2.221 178.251 176.094 -0.105 0.000 1.049 219 V CA 2.474 64.742 62.300 -0.052 0.000 1.024 219 V CB -0.900 30.843 31.823 -0.134 0.000 0.648 219 V HN 0.517 nan 8.190 nan 0.000 0.447 220 F N 0.385 120.336 119.950 0.001 0.000 2.234 220 F HA -0.127 4.400 4.527 0.001 0.000 0.299 220 F C 2.331 178.141 175.800 0.017 0.000 1.087 220 F CA 1.822 59.820 58.000 -0.004 0.000 1.340 220 F CB -0.374 38.623 39.000 -0.005 0.000 1.031 220 F HN 0.063 nan 8.300 nan 0.000 0.500 221 K N 0.913 121.435 120.400 0.204 0.000 2.026 221 K HA -0.127 4.194 4.320 0.001 0.000 0.208 221 K C 2.136 178.822 176.600 0.144 0.000 1.048 221 K CA 1.511 57.897 56.287 0.165 0.000 0.929 221 K CB -0.667 31.935 32.500 0.171 0.000 0.713 221 K HN 0.110 nan 8.250 nan 0.000 0.439 222 A N 0.320 123.210 122.820 0.117 0.000 1.902 222 A HA -0.111 4.210 4.320 0.001 0.000 0.217 222 A C 1.978 179.516 177.584 -0.076 0.000 1.181 222 A CA 1.455 53.539 52.037 0.079 0.000 0.623 222 A CB -0.643 18.363 19.000 0.010 0.000 0.818 222 A HN 0.286 nan 8.150 nan 0.000 0.443 223 L N -0.058 121.105 121.223 -0.101 0.000 2.079 223 L HA -0.213 4.128 4.340 0.001 0.000 0.210 223 L C 2.749 179.584 176.870 -0.058 0.000 1.081 223 L CA 1.770 56.529 54.840 -0.135 0.000 0.752 223 L CB -0.868 41.092 42.059 -0.164 0.000 0.896 223 L HN 0.440 nan 8.230 nan 0.000 0.433 224 Q N -0.839 118.975 119.800 0.023 0.000 2.049 224 Q HA -0.186 4.154 4.340 0.001 0.000 0.198 224 Q C 2.152 178.174 176.000 0.037 0.000 0.971 224 Q CA 0.935 56.765 55.803 0.044 0.000 0.833 224 Q CB -0.287 28.499 28.738 0.081 0.000 0.896 224 Q HN 0.393 nan 8.270 nan 0.000 0.434 225 E N 1.370 121.612 120.200 0.071 0.000 2.113 225 E HA -0.173 4.177 4.350 0.001 0.000 0.210 225 E C 1.467 178.081 176.600 0.023 0.000 1.040 225 E CA 1.323 57.788 56.400 0.108 0.000 0.847 225 E CB -0.199 29.652 29.700 0.252 0.000 0.755 225 E HN 0.333 nan 8.360 nan 0.000 0.459 226 N N -1.247 117.388 118.700 -0.109 0.000 2.398 226 N HA 0.013 4.754 4.740 0.001 0.000 0.188 226 N C 0.477 175.905 175.510 -0.136 0.000 1.122 226 N CA 0.712 53.640 53.050 -0.202 0.000 0.866 226 N CB 0.767 39.011 38.487 -0.405 0.000 0.970 226 N HN 0.291 nan 8.380 nan 0.000 0.462 227 G N 0.948 109.700 108.800 -0.080 0.000 2.137 227 G HA2 -0.248 3.713 3.960 0.001 0.000 0.237 227 G HA3 -0.248 3.713 3.960 0.001 0.000 0.237 227 G C 0.074 174.929 174.900 -0.075 0.000 1.002 227 G CA -0.136 44.931 45.100 -0.056 0.000 0.702 227 G HN 0.140 nan 8.290 nan 0.000 0.515 228 V N 0.921 120.775 119.914 -0.099 0.000 2.585 228 V HA 0.342 4.462 4.120 0.001 0.000 0.296 228 V C 1.054 177.110 176.094 -0.062 0.000 1.035 228 V CA -0.120 62.113 62.300 -0.112 0.000 1.084 228 V CB 1.484 33.214 31.823 -0.156 0.000 0.953 228 V HN 0.480 nan 8.190 nan 0.000 0.483 229 L N 6.200 127.387 121.223 -0.060 0.000 2.342 229 L HA 0.243 4.583 4.340 0.001 0.000 0.285 229 L C 0.972 177.830 176.870 -0.019 0.000 1.095 229 L CA 0.602 55.424 54.840 -0.031 0.000 0.843 229 L CB 0.166 42.205 42.059 -0.034 0.000 1.201 229 L HN 0.588 nan 8.230 nan 0.000 0.445 230 L N 2.713 123.946 121.223 0.017 0.000 2.131 230 L HA -0.163 4.177 4.340 0.001 0.000 0.210 230 L C 1.760 178.651 176.870 0.036 0.000 1.092 230 L CA 1.006 55.877 54.840 0.051 0.000 0.759 230 L CB -0.252 41.876 42.059 0.114 0.000 0.903 230 L HN 0.682 nan 8.230 nan 0.000 0.435 231 E N 0.166 120.380 120.200 0.023 0.000 2.209 231 E HA -0.133 4.217 4.350 0.001 0.000 0.196 231 E C 1.587 178.185 176.600 -0.003 0.000 0.993 231 E CA 1.124 57.533 56.400 0.015 0.000 0.819 231 E CB -0.159 29.546 29.700 0.009 0.000 0.745 231 E HN 0.426 nan 8.360 nan 0.000 0.477 232 G N -0.829 107.962 108.800 -0.015 0.000 4.098 232 G HA2 0.560 4.521 3.960 0.001 0.000 0.300 232 G HA3 0.560 4.521 3.960 0.001 0.000 0.300 232 G C -0.377 174.500 174.900 -0.040 0.000 1.187 232 G CA 0.252 45.336 45.100 -0.026 0.000 0.964 232 G HN 0.244 nan 8.290 nan 0.000 0.559 233 A N 0.001 122.799 122.820 -0.038 0.000 2.566 233 A HA 0.912 5.233 4.320 0.001 0.000 0.292 233 A C -1.362 176.191 177.584 -0.052 0.000 1.112 233 A CA -0.596 51.409 52.037 -0.054 0.000 0.707 233 A CB 1.547 20.502 19.000 -0.074 0.000 1.302 233 A HN 0.245 nan 8.150 nan 0.000 0.409 234 L N 0.418 121.603 121.223 -0.063 0.000 2.388 234 L HA 0.589 4.929 4.340 0.001 0.000 0.264 234 L C -1.264 175.551 176.870 -0.091 0.000 0.998 234 L CA -0.847 53.940 54.840 -0.087 0.000 0.817 234 L CB 2.072 44.060 42.059 -0.119 0.000 1.338 234 L HN 0.682 nan 8.230 nan 0.000 0.414 235 L N 2.618 123.765 121.223 -0.127 0.000 2.309 235 L HA 0.442 4.782 4.340 0.001 0.000 0.282 235 L C -0.333 176.435 176.870 -0.169 0.000 1.036 235 L CA -0.023 54.734 54.840 -0.138 0.000 0.806 235 L CB 1.227 43.216 42.059 -0.118 0.000 1.220 235 L HN 0.560 nan 8.230 nan 0.000 0.429 236 K N 6.834 127.172 120.400 -0.104 0.000 2.562 236 K HA 0.512 4.833 4.320 0.001 0.000 0.206 236 K C -2.756 173.834 176.600 -0.016 0.000 1.033 236 K CA -1.543 54.698 56.287 -0.076 0.000 1.029 236 K CB 0.844 33.336 32.500 -0.012 0.000 1.393 236 K HN 0.386 nan 8.250 nan 0.000 0.539 237 P HA 0.130 nan 4.420 nan 0.000 0.283 237 P C -1.056 176.363 177.300 0.198 0.000 1.271 237 P CA -0.630 62.512 63.100 0.070 0.000 0.841 237 P CB 0.786 32.516 31.700 0.050 0.000 1.122 238 N N 1.649 120.443 118.700 0.157 0.000 2.479 238 N HA 0.044 4.785 4.740 0.001 0.000 0.257 238 N C 0.099 175.716 175.510 0.178 0.000 1.232 238 N CA -0.008 53.137 53.050 0.158 0.000 0.920 238 N CB 0.212 38.749 38.487 0.084 0.000 1.105 238 N HN 0.389 nan 8.380 nan 0.000 0.444 239 M N 0.883 120.538 119.600 0.091 0.000 2.245 239 M HA 0.047 4.527 4.480 0.001 0.000 0.330 239 M C -0.077 176.209 176.300 -0.025 0.000 1.098 239 M CA -0.409 54.846 55.300 -0.075 0.000 1.172 239 M CB 0.781 33.256 32.600 -0.209 0.000 1.467 239 M HN 0.253 nan 8.290 nan 0.000 0.454 240 V N 2.517 122.408 119.914 -0.038 0.000 2.405 240 V HA 0.266 4.386 4.120 0.001 0.000 0.264 240 V C 0.447 176.531 176.094 -0.016 0.000 1.048 240 V CA -0.153 62.138 62.300 -0.015 0.000 0.966 240 V CB -0.090 31.721 31.823 -0.019 0.000 1.015 240 V HN 1.000 nan 8.190 nan 0.000 0.477 241 T N 2.368 116.921 114.554 -0.003 0.000 2.883 241 T HA 0.829 5.179 4.350 0.001 0.000 0.296 241 T C -0.149 174.550 174.700 -0.002 0.000 1.117 241 T CA -0.290 61.802 62.100 -0.014 0.000 1.006 241 T CB 1.924 70.764 68.868 -0.048 0.000 1.191 241 T HN 0.884 nan 8.240 nan 0.000 0.508 242 A N 0.769 123.568 122.820 -0.035 0.000 2.386 242 A HA 0.684 5.004 4.320 0.001 0.000 0.246 242 A C 1.068 178.491 177.584 -0.268 0.000 1.089 242 A CA -0.019 51.964 52.037 -0.090 0.000 0.790 242 A CB -0.719 18.238 19.000 -0.071 0.000 1.042 242 A HN 1.415 nan 8.150 nan 0.000 0.497 243 G N -1.479 106.969 108.800 -0.588 0.000 2.667 243 G HA2 0.332 4.293 3.960 0.001 0.000 0.250 243 G HA3 0.332 4.293 3.960 0.001 0.000 0.250 243 G C 0.239 174.916 174.900 -0.371 0.000 1.212 243 G CA -0.081 44.552 45.100 -0.777 0.000 0.874 243 G HN 0.615 nan 8.290 nan 0.000 0.561 244 Y N -0.033 120.173 120.300 -0.157 0.000 2.293 244 Y HA 0.037 4.589 4.550 0.003 0.000 0.291 244 Y C 1.898 177.753 175.900 -0.076 0.000 1.137 244 Y CA 0.937 58.987 58.100 -0.084 0.000 1.202 244 Y CB -0.208 38.223 38.460 -0.048 0.000 0.990 244 Y HN 0.435 nan 8.280 nan 0.000 0.537 245 E N -1.868 118.364 120.200 0.052 0.000 3.099 245 E HA 0.291 4.642 4.350 0.001 0.000 0.259 245 E C 1.345 177.932 176.600 -0.022 0.000 1.274 245 E CA 0.639 57.050 56.400 0.019 0.000 1.111 245 E CB 0.515 30.227 29.700 0.019 0.000 1.327 245 E HN 0.291 nan 8.360 nan 0.000 0.652 246 C N -3.134 116.158 119.300 -0.013 0.000 5.896 246 C HA -0.296 4.164 4.460 0.001 0.000 0.324 246 C C 0.926 175.912 174.990 -0.007 0.000 2.392 246 C CA 0.774 59.783 59.018 -0.016 0.000 2.157 246 C CB -2.408 25.311 27.740 -0.036 0.000 3.199 246 C HN 0.996 nan 8.230 nan 0.000 0.293 247 T N 0.653 115.203 114.554 -0.006 0.000 4.458 247 T HA 0.145 4.496 4.350 0.001 0.000 0.317 247 T C 0.446 175.145 174.700 -0.001 0.000 0.916 247 T CA 1.493 63.593 62.100 0.000 0.000 2.068 247 T CB -2.226 66.644 68.868 0.003 0.000 1.908 247 T HN 2.571 nan 8.240 nan 0.000 0.934 248 A N 0.542 123.360 122.820 -0.004 0.000 2.310 248 A HA 0.611 4.931 4.320 0.001 0.000 0.260 248 A C 1.618 179.203 177.584 0.002 0.000 1.112 248 A CA -0.195 51.842 52.037 -0.001 0.000 0.804 248 A CB 0.456 19.455 19.000 -0.001 0.000 1.081 248 A HN 0.165 nan 8.150 nan 0.000 0.499 249 K N -0.085 120.318 120.400 0.005 0.000 1.965 249 K HA -0.071 4.250 4.320 0.001 0.000 0.214 249 K C 0.749 177.354 176.600 0.008 0.000 1.046 249 K CA 1.738 58.030 56.287 0.007 0.000 0.944 249 K CB -0.772 31.733 32.500 0.009 0.000 0.726 249 K HN 0.961 nan 8.250 nan 0.000 0.441 250 T N 1.715 116.276 114.554 0.011 0.000 3.177 250 T HA -0.171 4.179 4.350 0.001 0.000 0.439 250 T C -0.093 174.616 174.700 0.016 0.000 0.771 250 T CA 0.871 62.979 62.100 0.013 0.000 2.254 250 T CB -1.131 67.738 68.868 0.001 0.000 1.667 250 T HN 0.484 nan 8.240 nan 0.000 0.619 251 T N 1.780 116.347 114.554 0.021 0.000 2.816 251 T HA 0.423 4.773 4.350 0.001 0.000 0.282 251 T C 1.658 176.375 174.700 0.029 0.000 0.993 251 T CA 0.539 62.652 62.100 0.022 0.000 0.994 251 T CB 1.373 70.253 68.868 0.020 0.000 1.025 251 T HN 0.564 nan 8.240 nan 0.000 0.529 252 T N 0.758 115.329 114.554 0.029 0.000 2.951 252 T HA -0.044 4.307 4.350 0.001 0.000 0.268 252 T C 1.853 176.583 174.700 0.050 0.000 1.073 252 T CA 1.460 63.580 62.100 0.034 0.000 1.134 252 T CB -0.245 68.644 68.868 0.035 0.000 0.884 252 T HN 0.614 nan 8.240 nan 0.000 0.479 253 Q N 0.845 120.677 119.800 0.054 0.000 2.124 253 Q HA -0.055 4.286 4.340 0.001 0.000 0.202 253 Q C 2.021 178.089 176.000 0.114 0.000 0.977 253 Q CA 1.672 57.519 55.803 0.073 0.000 0.850 253 Q CB -0.103 28.664 28.738 0.047 0.000 0.901 253 Q HN 0.472 nan 8.270 nan 0.000 0.429 254 D N -0.965 119.495 120.400 0.100 0.000 2.162 254 D HA -0.068 4.573 4.640 0.001 0.000 0.203 254 D C 1.798 178.181 176.300 0.138 0.000 0.967 254 D CA 0.610 54.699 54.000 0.149 0.000 0.840 254 D CB -0.003 40.858 40.800 0.102 0.000 0.972 254 D HN 0.043 nan 8.370 nan 0.000 0.482 255 V N 0.964 120.921 119.914 0.071 0.000 2.392 255 V HA -0.177 3.944 4.120 0.001 0.000 0.249 255 V C 2.461 178.560 176.094 0.009 0.000 1.059 255 V CA 2.078 64.391 62.300 0.023 0.000 1.051 255 V CB -0.858 30.961 31.823 -0.007 0.000 0.658 255 V HN 0.244 nan 8.190 nan 0.000 0.455 256 G N -1.067 107.764 108.800 0.052 0.000 2.394 256 G HA2 -0.276 3.684 3.960 0.001 0.000 0.215 256 G HA3 -0.276 3.684 3.960 0.001 0.000 0.215 256 G C 1.519 176.486 174.900 0.111 0.000 1.165 256 G CA 0.921 46.058 45.100 0.062 0.000 0.784 256 G HN 0.493 nan 8.290 nan 0.000 0.535 257 F N 1.204 121.176 119.950 0.038 0.000 2.084 257 F HA 0.125 4.675 4.527 0.039 0.000 0.296 257 F C 2.310 178.141 175.800 0.051 0.000 1.111 257 F CA 1.089 59.122 58.000 0.054 0.000 1.224 257 F CB -0.360 38.667 39.000 0.046 0.000 0.991 257 F HN 0.026 nan 8.300 nan 0.000 0.471 258 L N -0.337 120.754 121.223 -0.220 0.000 2.275 258 L HA -0.153 4.188 4.340 0.001 0.000 0.215 258 L C 2.271 179.014 176.870 -0.212 0.000 1.119 258 L CA 1.436 56.088 54.840 -0.315 0.000 0.790 258 L CB -0.876 41.162 42.059 -0.035 0.000 0.919 258 L HN 0.182 nan 8.230 nan 0.000 0.443 259 T N -1.058 113.418 114.554 -0.130 0.000 2.770 259 T HA -0.115 4.236 4.350 0.001 0.000 0.263 259 T C 1.995 176.660 174.700 -0.059 0.000 1.039 259 T CA 1.172 63.222 62.100 -0.083 0.000 1.142 259 T CB -0.044 68.746 68.868 -0.131 0.000 0.868 259 T HN 0.024 nan 8.240 nan 0.000 0.435 260 V N 1.500 121.372 119.914 -0.070 0.000 2.343 260 V HA -0.152 3.968 4.120 0.001 0.000 0.247 260 V C 2.634 178.714 176.094 -0.023 0.000 1.051 260 V CA 1.672 63.970 62.300 -0.003 0.000 1.036 260 V CB -0.572 31.296 31.823 0.075 0.000 0.654 260 V HN 0.346 nan 8.190 nan 0.000 0.451 261 R N -0.135 120.233 120.500 -0.220 0.000 2.082 261 R HA -0.192 4.148 4.340 0.001 0.000 0.234 261 R C 2.435 178.679 176.300 -0.092 0.000 1.136 261 R CA 2.318 58.285 56.100 -0.221 0.000 0.935 261 R CB -0.681 29.317 30.300 -0.503 0.000 0.842 261 R HN 0.527 nan 8.270 nan 0.000 0.430 262 T N 1.805 116.296 114.554 -0.106 0.000 2.653 262 T HA -0.192 4.158 4.350 0.001 0.000 0.268 262 T C 1.815 176.498 174.700 -0.028 0.000 1.035 262 T CA 1.720 63.789 62.100 -0.051 0.000 1.154 262 T CB -0.208 68.635 68.868 -0.041 0.000 0.862 262 T HN 0.204 nan 8.240 nan 0.000 0.441 263 L N 0.080 121.283 121.223 -0.034 0.000 2.056 263 L HA -0.039 4.302 4.340 0.001 0.000 0.207 263 L C 2.856 179.762 176.870 0.059 0.000 1.078 263 L CA 1.301 56.071 54.840 -0.117 0.000 0.749 263 L CB -0.454 41.419 42.059 -0.310 0.000 0.901 263 L HN 0.150 nan 8.230 nan 0.000 0.433 264 R N -0.147 120.502 120.500 0.248 0.000 2.193 264 R HA -0.080 4.261 4.340 0.001 0.000 0.229 264 R C 2.068 178.454 176.300 0.143 0.000 1.110 264 R CA 0.801 57.092 56.100 0.317 0.000 0.988 264 R CB -0.070 30.361 30.300 0.218 0.000 0.871 264 R HN 0.392 nan 8.270 nan 0.000 0.458 265 R N -0.614 119.924 120.500 0.064 0.000 2.300 265 R HA 0.045 4.386 4.340 0.001 0.000 0.199 265 R C 1.344 177.641 176.300 -0.006 0.000 0.920 265 R CA 1.325 57.440 56.100 0.026 0.000 1.046 265 R CB 0.507 30.815 30.300 0.013 0.000 0.984 265 R HN 0.289 nan 8.270 nan 0.000 0.493 266 T N -3.689 110.841 114.554 -0.039 0.000 3.010 266 T HA 0.162 4.512 4.350 0.001 0.000 0.252 266 T C 0.587 175.071 174.700 -0.359 0.000 0.963 266 T CA -0.195 61.835 62.100 -0.117 0.000 0.952 266 T CB 0.252 69.091 68.868 -0.049 0.000 1.182 266 T HN -0.151 nan 8.240 nan 0.000 0.495 267 V N 5.333 125.037 119.914 -0.349 0.000 2.333 267 V HA 0.453 4.573 4.120 0.001 0.000 0.274 267 V C -2.357 173.647 176.094 -0.150 0.000 1.028 267 V CA -2.196 59.734 62.300 -0.616 0.000 0.851 267 V CB 0.858 32.283 31.823 -0.664 0.000 1.000 267 V HN 0.329 nan 8.190 nan 0.000 0.456 268 P HA 0.241 nan 4.420 nan 0.000 0.272 268 P C -2.398 175.035 177.300 0.222 0.000 1.223 268 P CA -1.747 61.357 63.100 0.006 0.000 0.784 268 P CB 0.656 32.313 31.700 -0.071 0.000 0.923 269 P HA -0.021 nan 4.420 nan 0.000 0.233 269 P C 1.261 178.644 177.300 0.138 0.000 1.167 269 P CA 0.920 64.095 63.100 0.125 0.000 0.770 269 P CB -0.333 31.317 31.700 -0.084 0.000 0.837 270 A N -0.182 122.701 122.820 0.105 0.000 2.019 270 A HA -0.099 4.221 4.320 0.001 0.000 0.219 270 A C 1.177 178.828 177.584 0.113 0.000 1.164 270 A CA 0.512 52.599 52.037 0.083 0.000 0.644 270 A CB -1.145 17.890 19.000 0.059 0.000 0.805 270 A HN 0.181 nan 8.150 nan 0.000 0.449 271 L N 0.906 122.230 121.223 0.168 0.000 2.500 271 L HA 0.104 4.444 4.340 0.001 0.000 0.272 271 L C -1.642 175.331 176.870 0.173 0.000 1.149 271 L CA -1.166 53.764 54.840 0.150 0.000 0.897 271 L CB 1.086 43.221 42.059 0.128 0.000 1.178 271 L HN 0.095 nan 8.230 nan 0.000 0.473 272 P HA -0.013 nan 4.420 nan 0.000 0.217 272 P C 0.329 177.683 177.300 0.090 0.000 1.150 272 P CA 0.626 63.769 63.100 0.072 0.000 0.832 272 P CB 0.304 32.008 31.700 0.006 0.000 0.787 273 G N -2.385 106.427 108.800 0.020 0.000 2.632 273 G HA2 0.434 4.394 3.960 0.001 0.000 0.292 273 G HA3 0.434 4.394 3.960 0.001 0.000 0.292 273 G C -1.944 172.841 174.900 -0.191 0.000 1.465 273 G CA -0.378 44.701 45.100 -0.036 0.000 0.824 273 G HN -0.156 nan 8.290 nan 0.000 0.509 274 V N 0.694 120.421 119.914 -0.312 0.000 2.427 274 V HA 0.578 4.698 4.120 0.001 0.000 0.286 274 V C 0.401 176.168 176.094 -0.545 0.000 1.034 274 V CA -0.628 61.361 62.300 -0.518 0.000 0.893 274 V CB 1.429 32.764 31.823 -0.814 0.000 0.982 274 V HN 1.149 nan 8.190 nan 0.000 0.452 275 V N 2.337 121.976 119.914 -0.459 0.000 2.284 275 V HA 0.569 4.689 4.120 0.001 0.000 0.274 275 V C -0.451 175.490 176.094 -0.255 0.000 1.023 275 V CA -0.606 61.488 62.300 -0.345 0.000 0.808 275 V CB 0.164 31.828 31.823 -0.264 0.000 1.035 275 V HN 0.481 nan 8.190 nan 0.000 0.445 276 F N 5.250 125.163 119.950 -0.062 0.000 2.518 276 F HA 0.513 4.967 4.527 -0.121 0.000 0.359 276 F C 0.494 176.375 175.800 0.135 0.000 1.118 276 F CA -0.417 57.604 58.000 0.035 0.000 1.287 276 F CB 0.881 39.936 39.000 0.092 0.000 1.132 276 F HN 0.636 nan 8.300 nan 0.000 0.587 277 L N 0.631 122.087 121.223 0.388 0.000 2.357 277 L HA 0.500 4.841 4.340 0.001 0.000 0.273 277 L C 0.906 178.011 176.870 0.393 0.000 1.080 277 L CA -0.162 54.893 54.840 0.359 0.000 0.803 277 L CB 1.066 43.253 42.059 0.213 0.000 1.174 277 L HN 0.602 nan 8.230 nan 0.000 0.443 278 S N 1.279 117.171 115.700 0.320 0.000 2.470 278 S HA 0.334 4.804 4.470 0.001 0.000 0.225 278 S C 1.231 175.858 174.600 0.044 0.000 1.006 278 S CA 0.274 58.498 58.200 0.039 0.000 0.934 278 S CB -0.997 62.004 63.200 -0.332 0.000 0.778 278 S HN 1.729 nan 8.310 nan 0.000 0.517 279 G N 1.181 110.036 108.800 0.092 0.000 2.583 279 G HA2 -0.205 3.755 3.960 0.001 0.000 0.292 279 G HA3 -0.205 3.755 3.960 0.001 0.000 0.292 279 G C 0.602 175.552 174.900 0.083 0.000 1.203 279 G CA 0.042 45.201 45.100 0.098 0.000 0.987 279 G HN 1.424 nan 8.290 nan 0.000 0.554 280 G N 0.182 109.067 108.800 0.142 0.000 3.609 280 G HA2 0.482 4.443 3.960 0.001 0.000 0.280 280 G HA3 0.482 4.443 3.960 0.001 0.000 0.280 280 G C 0.534 175.471 174.900 0.062 0.000 1.155 280 G CA 0.697 45.852 45.100 0.091 0.000 0.876 280 G HN 0.713 nan 8.290 nan 0.000 0.535 281 Q N 0.830 120.649 119.800 0.031 0.000 2.354 281 Q HA 0.368 4.708 4.340 0.001 0.000 0.244 281 Q C 0.693 176.657 176.000 -0.059 0.000 0.969 281 Q CA -0.282 55.515 55.803 -0.011 0.000 0.885 281 Q CB 1.196 29.901 28.738 -0.054 0.000 1.241 281 Q HN 0.375 nan 8.270 nan 0.000 0.461 282 S N 0.645 116.315 115.700 -0.051 0.000 2.593 282 S HA 0.035 4.506 4.470 0.001 0.000 0.269 282 S C 0.721 175.263 174.600 -0.098 0.000 1.334 282 S CA -0.528 57.636 58.200 -0.059 0.000 1.015 282 S CB 0.945 64.125 63.200 -0.034 0.000 0.912 282 S HN 0.682 nan 8.310 nan 0.000 0.541 283 E N 0.847 120.992 120.200 -0.092 0.000 2.086 283 E HA -0.217 4.133 4.350 0.001 0.000 0.200 283 E C 1.866 178.397 176.600 -0.115 0.000 1.012 283 E CA 1.651 57.979 56.400 -0.119 0.000 0.812 283 E CB -0.090 29.568 29.700 -0.069 0.000 0.743 283 E HN 0.678 nan 8.360 nan 0.000 0.453 284 E N 0.529 120.699 120.200 -0.050 0.000 2.046 284 E HA -0.149 4.202 4.350 0.001 0.000 0.190 284 E C 2.064 178.663 176.600 -0.000 0.000 0.982 284 E CA 0.663 57.066 56.400 0.004 0.000 0.800 284 E CB -0.034 29.689 29.700 0.038 0.000 0.756 284 E HN 0.264 nan 8.360 nan 0.000 0.449 285 E N 0.670 120.855 120.200 -0.025 0.000 2.085 285 E HA -0.177 4.173 4.350 0.001 0.000 0.194 285 E C 2.003 178.571 176.600 -0.054 0.000 0.994 285 E CA 1.046 57.433 56.400 -0.022 0.000 0.801 285 E CB -0.196 29.491 29.700 -0.023 0.000 0.743 285 E HN 0.178 nan 8.360 nan 0.000 0.453 286 A N 0.989 123.727 122.820 -0.137 0.000 1.940 286 A HA -0.167 4.153 4.320 0.001 0.000 0.219 286 A C 2.454 179.974 177.584 -0.107 0.000 1.176 286 A CA 1.890 53.785 52.037 -0.237 0.000 0.631 286 A CB -0.325 18.304 19.000 -0.618 0.000 0.814 286 A HN 0.167 nan 8.150 nan 0.000 0.446 287 S N -0.690 114.941 115.700 -0.115 0.000 2.388 287 S HA -0.047 4.423 4.470 0.001 0.000 0.223 287 S C 1.860 176.472 174.600 0.020 0.000 1.034 287 S CA 1.110 59.225 58.200 -0.143 0.000 0.963 287 S CB -0.336 62.636 63.200 -0.380 0.000 0.827 287 S HN 0.334 nan 8.310 nan 0.000 0.481 288 V N 3.385 123.368 119.914 0.114 0.000 2.343 288 V HA -0.155 3.966 4.120 0.001 0.000 0.247 288 V C 2.104 178.254 176.094 0.093 0.000 1.051 288 V CA 1.490 63.886 62.300 0.160 0.000 1.036 288 V CB -0.741 31.151 31.823 0.115 0.000 0.654 288 V HN 0.433 nan 8.190 nan 0.000 0.451 289 N N 0.120 118.844 118.700 0.041 0.000 2.171 289 N HA -0.097 4.644 4.740 0.001 0.000 0.184 289 N C 1.729 177.237 175.510 -0.004 0.000 1.021 289 N CA 1.164 54.217 53.050 0.006 0.000 0.854 289 N CB -0.420 38.047 38.487 -0.032 0.000 0.994 289 N HN 0.388 nan 8.380 nan 0.000 0.426 290 L N 1.840 123.081 121.223 0.029 0.000 2.083 290 L HA -0.105 4.235 4.340 0.001 0.000 0.209 290 L C 1.783 178.711 176.870 0.097 0.000 1.083 290 L CA 1.647 56.523 54.840 0.061 0.000 0.752 290 L CB -0.982 41.164 42.059 0.146 0.000 0.899 290 L HN 0.089 nan 8.230 nan 0.000 0.433 291 N N -1.227 117.541 118.700 0.113 0.000 2.142 291 N HA -0.168 4.572 4.740 0.001 0.000 0.186 291 N C 1.808 177.403 175.510 0.141 0.000 1.023 291 N CA 1.561 54.705 53.050 0.156 0.000 0.852 291 N CB -0.129 38.492 38.487 0.223 0.000 0.998 291 N HN 0.379 nan 8.380 nan 0.000 0.424 292 S N -0.087 115.678 115.700 0.110 0.000 2.382 292 S HA -0.002 4.468 4.470 0.001 0.000 0.228 292 S C 1.897 176.572 174.600 0.124 0.000 1.027 292 S CA 0.715 58.977 58.200 0.103 0.000 0.991 292 S CB -0.240 63.005 63.200 0.075 0.000 0.823 292 S HN 0.351 nan 8.310 nan 0.000 0.469 293 I N 2.060 122.690 120.570 0.099 0.000 2.179 293 I HA -0.195 3.976 4.170 0.001 0.000 0.242 293 I C 2.030 178.323 176.117 0.292 0.000 1.088 293 I CA 1.022 62.394 61.300 0.120 0.000 1.357 293 I CB -0.309 37.694 38.000 0.004 0.000 1.051 293 I HN 0.286 nan 8.210 nan 0.000 0.409 294 N N 0.777 119.645 118.700 0.281 0.000 2.416 294 N HA 0.006 4.746 4.740 0.001 0.000 0.177 294 N C 1.837 177.490 175.510 0.238 0.000 1.036 294 N CA 1.051 54.310 53.050 0.349 0.000 0.901 294 N CB 0.035 38.675 38.487 0.255 0.000 0.976 294 N HN 0.285 nan 8.380 nan 0.000 0.444 295 A N 1.152 124.087 122.820 0.190 0.000 2.070 295 A HA -0.024 4.296 4.320 0.001 0.000 0.220 295 A C 1.685 179.341 177.584 0.120 0.000 1.159 295 A CA 0.608 52.727 52.037 0.136 0.000 0.656 295 A CB -0.550 18.521 19.000 0.118 0.000 0.800 295 A HN 0.218 nan 8.150 nan 0.000 0.453 296 L N 0.499 121.828 121.223 0.177 0.000 2.933 296 L HA 0.267 4.608 4.340 0.001 0.000 0.258 296 L C 1.146 178.018 176.870 0.003 0.000 1.253 296 L CA 0.184 55.124 54.840 0.167 0.000 1.096 296 L CB -1.601 40.640 42.059 0.303 0.000 1.432 296 L HN 0.591 nan 8.230 nan 0.000 0.418 297 G N 0.772 109.524 108.800 -0.079 0.000 2.781 297 G HA2 -0.181 3.779 3.960 0.001 0.000 0.683 297 G HA3 -0.181 3.779 3.960 0.001 0.000 0.683 297 G C -2.839 171.792 174.900 -0.449 0.000 1.390 297 G CA -1.133 43.856 45.100 -0.186 0.000 0.850 297 G HN 0.149 nan 8.290 nan 0.000 0.557 298 P HA 0.261 nan 4.420 nan 0.000 0.271 298 P C -0.336 176.739 177.300 -0.376 0.000 1.216 298 P CA 0.156 63.102 63.100 -0.256 0.000 0.771 298 P CB 0.516 32.150 31.700 -0.109 0.000 0.864 299 H N 3.171 122.228 119.070 -0.022 0.000 2.595 299 H HA 0.241 5.045 4.556 0.413 0.000 0.346 299 H C -1.455 173.687 175.328 -0.310 0.000 1.181 299 H CA -1.783 54.189 56.048 -0.127 0.000 1.242 299 H CB 0.283 30.091 29.762 0.078 0.000 1.652 299 H HN 0.261 nan 8.280 nan 0.000 0.548 300 P HA -0.059 nan 4.420 nan 0.000 0.230 300 P C -0.162 176.754 177.300 -0.640 0.000 1.158 300 P CA 1.082 63.735 63.100 -0.746 0.000 0.769 300 P CB 0.374 31.402 31.700 -1.119 0.000 0.807 301 W N -1.528 119.799 121.300 0.045 0.000 2.992 301 W HA 0.702 5.174 4.660 -0.312 0.000 0.342 301 W C -0.662 175.867 176.519 0.016 0.000 1.176 301 W CA -1.777 55.570 57.345 0.003 0.000 1.118 301 W CB 0.685 30.124 29.460 -0.035 0.000 1.457 301 W HN -0.337 nan 8.180 nan 0.000 0.573 302 A N 2.065 125.035 122.820 0.249 0.000 2.451 302 A HA 0.447 4.767 4.320 0.001 0.000 0.266 302 A C -0.741 176.903 177.584 0.101 0.000 1.119 302 A CA -0.198 51.916 52.037 0.128 0.000 0.786 302 A CB -0.014 18.998 19.000 0.020 0.000 1.061 302 A HN 0.424 nan 8.150 nan 0.000 0.503 303 L N 3.756 125.066 121.223 0.145 0.000 2.287 303 L HA 0.454 4.795 4.340 0.001 0.000 0.280 303 L C 0.783 177.738 176.870 0.142 0.000 1.055 303 L CA 0.698 55.609 54.840 0.118 0.000 0.863 303 L CB 0.376 42.577 42.059 0.236 0.000 1.245 303 L HN 0.898 nan 8.230 nan 0.000 0.432 304 T N 2.445 117.010 114.554 0.018 0.000 2.598 304 T HA 0.726 5.076 4.350 0.001 0.000 0.254 304 T C -1.093 173.628 174.700 0.035 0.000 0.889 304 T CA -0.366 61.759 62.100 0.041 0.000 1.091 304 T CB 0.865 69.641 68.868 -0.154 0.000 1.437 304 T HN 0.113 nan 8.240 nan 0.000 0.542 305 F N -0.032 119.765 119.950 -0.255 0.000 2.577 305 F HA 0.821 5.342 4.527 -0.010 0.000 0.318 305 F C -0.197 175.346 175.800 -0.429 0.000 1.065 305 F CA -1.144 56.527 58.000 -0.549 0.000 0.929 305 F CB 1.816 40.121 39.000 -1.159 0.000 1.237 305 F HN 0.351 nan 8.300 nan 0.000 0.468 306 S N 2.447 117.999 115.700 -0.248 0.000 2.259 306 S HA 0.476 4.947 4.470 0.001 0.000 0.181 306 S C -1.800 172.924 174.600 0.207 0.000 1.589 306 S CA -0.346 57.821 58.200 -0.055 0.000 1.234 306 S CB -0.567 62.620 63.200 -0.020 0.000 1.119 306 S HN 0.502 nan 8.310 nan 0.000 0.458 307 Y N 1.222 121.705 120.300 0.305 0.000 2.361 307 Y HA 0.686 5.234 4.550 -0.003 0.000 0.332 307 Y C 1.140 177.142 175.900 0.171 0.000 1.101 307 Y CA -0.792 57.443 58.100 0.224 0.000 1.137 307 Y CB 1.576 40.160 38.460 0.207 0.000 1.207 307 Y HN 0.520 nan 8.280 nan 0.000 0.463 308 G N 1.831 110.803 108.800 0.287 0.000 2.463 308 G HA2 0.014 3.974 3.960 0.001 0.000 0.211 308 G HA3 0.014 3.974 3.960 0.001 0.000 0.211 308 G C 1.441 176.425 174.900 0.140 0.000 1.881 308 G CA 0.043 45.257 45.100 0.190 0.000 0.722 308 G HN 0.553 nan 8.290 nan 0.000 0.709 309 R N 0.609 121.164 120.500 0.092 0.000 2.133 309 R HA -0.181 4.159 4.340 0.001 0.000 0.245 309 R C 2.532 178.843 176.300 0.019 0.000 1.137 309 R CA 2.377 58.506 56.100 0.049 0.000 0.947 309 R CB -0.642 29.669 30.300 0.018 0.000 0.865 309 R HN 0.300 nan 8.270 nan 0.000 0.437 310 A N 0.247 123.044 122.820 -0.039 0.000 2.125 310 A HA -0.065 4.256 4.320 0.001 0.000 0.219 310 A C 2.044 179.599 177.584 -0.049 0.000 1.156 310 A CA 1.112 53.064 52.037 -0.143 0.000 0.671 310 A CB -0.172 18.540 19.000 -0.480 0.000 0.794 310 A HN 0.432 nan 8.150 nan 0.000 0.459 311 L N -2.361 118.900 121.223 0.064 0.000 2.515 311 L HA 0.060 4.400 4.340 0.001 0.000 0.223 311 L C 2.410 179.332 176.870 0.087 0.000 1.079 311 L CA 0.479 55.373 54.840 0.089 0.000 0.857 311 L CB 0.060 42.223 42.059 0.173 0.000 1.050 311 L HN 0.385 nan 8.230 nan 0.000 0.476 312 Q N -0.898 118.964 119.800 0.104 0.000 2.402 312 Q HA 0.158 4.498 4.340 0.001 0.000 0.231 312 Q C 2.299 178.377 176.000 0.130 0.000 0.888 312 Q CA 0.617 56.509 55.803 0.148 0.000 0.938 312 Q CB 0.362 29.229 28.738 0.214 0.000 1.086 312 Q HN 0.420 nan 8.270 nan 0.000 0.543 313 A N 0.961 123.829 122.820 0.080 0.000 1.881 313 A HA -0.275 4.045 4.320 0.001 0.000 0.219 313 A C 2.189 179.813 177.584 0.067 0.000 1.215 313 A CA 2.330 54.402 52.037 0.059 0.000 0.648 313 A CB -0.763 18.251 19.000 0.023 0.000 0.832 313 A HN 0.258 nan 8.150 nan 0.000 0.455 314 S N -1.004 114.731 115.700 0.058 0.000 2.414 314 S HA -0.024 4.446 4.470 0.001 0.000 0.227 314 S C 1.836 176.491 174.600 0.091 0.000 1.022 314 S CA 0.990 59.226 58.200 0.060 0.000 0.958 314 S CB -0.261 62.962 63.200 0.039 0.000 0.797 314 S HN 0.342 nan 8.310 nan 0.000 0.493 315 V N 1.689 121.666 119.914 0.105 0.000 2.343 315 V HA -0.154 3.966 4.120 0.001 0.000 0.247 315 V C 2.200 178.420 176.094 0.210 0.000 1.051 315 V CA 1.494 63.872 62.300 0.130 0.000 1.036 315 V CB -0.562 31.331 31.823 0.116 0.000 0.654 315 V HN 0.343 nan 8.190 nan 0.000 0.451 316 L N 0.286 121.644 121.223 0.225 0.000 2.005 316 L HA -0.094 4.246 4.340 0.001 0.000 0.207 316 L C 2.341 179.351 176.870 0.233 0.000 1.072 316 L CA 1.887 56.884 54.840 0.262 0.000 0.744 316 L CB -0.790 41.353 42.059 0.140 0.000 0.895 316 L HN 0.280 nan 8.230 nan 0.000 0.433 317 N N -0.695 118.085 118.700 0.134 0.000 2.149 317 N HA -0.129 4.611 4.740 0.001 0.000 0.188 317 N C 0.846 176.409 175.510 0.089 0.000 1.019 317 N CA 1.682 54.779 53.050 0.079 0.000 0.857 317 N CB -0.415 38.101 38.487 0.048 0.000 0.997 317 N HN 0.511 nan 8.380 nan 0.000 0.426 318 T N -2.947 111.682 114.554 0.126 0.000 3.591 318 T HA 0.219 4.570 4.350 0.001 0.000 0.232 318 T C 0.414 175.253 174.700 0.233 0.000 1.116 318 T CA -0.592 61.584 62.100 0.127 0.000 1.063 318 T CB -0.520 68.405 68.868 0.096 0.000 1.227 318 T HN 0.401 nan 8.240 nan 0.000 0.685 319 W N 1.329 122.625 121.300 -0.007 0.000 4.522 319 W HA 0.167 4.828 4.660 0.001 0.000 0.156 319 W C -0.059 176.431 176.519 -0.048 0.000 0.933 319 W CA 0.321 57.660 57.345 -0.012 0.000 1.627 319 W CB 0.180 29.650 29.460 0.016 0.000 0.520 319 W HN 0.257 nan 8.180 nan 0.000 1.025 320 Q N 0.645 120.269 119.800 -0.293 0.000 2.480 320 Q HA -0.176 4.165 4.340 0.001 0.000 0.265 320 Q C 1.289 176.747 176.000 -0.904 0.000 1.072 320 Q CA 2.247 57.765 55.803 -0.475 0.000 1.018 320 Q CB -2.107 26.469 28.738 -0.271 0.000 1.433 320 Q HN 1.235 nan 8.270 nan 0.000 0.513 321 G N -0.561 107.082 108.800 -1.929 0.000 2.184 321 G HA2 -0.352 3.609 3.960 0.001 0.000 0.264 321 G HA3 -0.352 3.609 3.960 0.001 0.000 0.264 321 G C 0.083 174.276 174.900 -1.178 0.000 0.975 321 G CA 0.848 44.714 45.100 -2.058 0.000 0.642 321 G HN 0.339 nan 8.290 nan 0.000 0.536 322 K N 0.137 119.975 120.400 -0.937 0.000 2.201 322 K HA 0.423 4.743 4.320 0.001 0.000 0.278 322 K C 1.182 177.798 176.600 0.027 0.000 1.027 322 K CA -0.300 55.804 56.287 -0.305 0.000 0.909 322 K CB 1.550 33.924 32.500 -0.210 0.000 1.062 322 K HN 0.137 nan 8.250 nan 0.000 0.465 323 K N 2.265 122.712 120.400 0.079 0.000 2.280 323 K HA -0.186 4.135 4.320 0.001 0.000 0.202 323 K C 0.632 177.315 176.600 0.137 0.000 1.047 323 K CA 1.588 57.972 56.287 0.161 0.000 0.942 323 K CB 0.330 32.886 32.500 0.094 0.000 0.739 323 K HN 0.479 nan 8.250 nan 0.000 0.457 324 E N 0.642 120.896 120.200 0.090 0.000 2.028 324 E HA -0.118 4.232 4.350 0.001 0.000 0.191 324 E C 1.305 177.971 176.600 0.110 0.000 0.988 324 E CA 1.140 57.585 56.400 0.075 0.000 0.799 324 E CB -0.162 29.562 29.700 0.040 0.000 0.755 324 E HN 0.257 nan 8.360 nan 0.000 0.447 325 N N 0.656 119.446 118.700 0.149 0.000 2.626 325 N HA -0.063 4.678 4.740 0.001 0.000 0.193 325 N C 1.207 176.875 175.510 0.262 0.000 1.213 325 N CA 0.159 53.328 53.050 0.200 0.000 0.914 325 N CB -0.003 38.612 38.487 0.214 0.000 0.994 325 N HN 0.010 nan 8.380 nan 0.000 0.447 326 V N 1.297 121.345 119.914 0.223 0.000 2.220 326 V HA -0.288 3.832 4.120 0.001 0.000 0.246 326 V C 2.438 178.559 176.094 0.044 0.000 1.049 326 V CA 2.041 64.401 62.300 0.100 0.000 1.003 326 V CB -1.006 30.859 31.823 0.070 0.000 0.634 326 V HN 0.339 nan 8.190 nan 0.000 0.444 327 A N -0.567 122.285 122.820 0.053 0.000 1.903 327 A HA -0.359 3.962 4.320 0.001 0.000 0.219 327 A C 2.339 179.950 177.584 0.045 0.000 1.191 327 A CA 2.667 54.728 52.037 0.040 0.000 0.638 327 A CB -0.645 18.380 19.000 0.042 0.000 0.823 327 A HN 0.535 nan 8.150 nan 0.000 0.451 328 K N -0.811 119.626 120.400 0.063 0.000 2.057 328 K HA -0.081 4.240 4.320 0.001 0.000 0.207 328 K C 2.210 178.849 176.600 0.066 0.000 1.049 328 K CA 1.166 57.491 56.287 0.064 0.000 0.931 328 K CB -0.295 32.250 32.500 0.074 0.000 0.714 328 K HN 0.431 nan 8.250 nan 0.000 0.440 329 A N 1.110 123.977 122.820 0.079 0.000 1.930 329 A HA -0.120 4.200 4.320 0.001 0.000 0.217 329 A C 1.975 179.573 177.584 0.023 0.000 1.175 329 A CA 1.115 53.192 52.037 0.068 0.000 0.627 329 A CB -0.350 18.697 19.000 0.079 0.000 0.815 329 A HN 0.275 nan 8.150 nan 0.000 0.443 330 R N -0.132 120.368 120.500 0.001 0.000 2.120 330 R HA -0.130 4.210 4.340 0.001 0.000 0.234 330 R C 1.942 178.259 176.300 0.029 0.000 1.123 330 R CA 1.505 57.604 56.100 -0.001 0.000 0.975 330 R CB -0.252 30.044 30.300 -0.007 0.000 0.866 330 R HN 0.690 nan 8.270 nan 0.000 0.446 331 E N 0.052 120.274 120.200 0.036 0.000 2.106 331 E HA -0.132 4.218 4.350 0.001 0.000 0.192 331 E C 1.971 178.591 176.600 0.035 0.000 0.984 331 E CA 1.274 57.699 56.400 0.041 0.000 0.806 331 E CB 0.072 29.797 29.700 0.041 0.000 0.750 331 E HN 0.131 nan 8.360 nan 0.000 0.458 332 V N 1.464 121.399 119.914 0.035 0.000 2.427 332 V HA -0.218 3.902 4.120 0.001 0.000 0.248 332 V C 2.264 178.371 176.094 0.021 0.000 1.051 332 V CA 1.106 63.424 62.300 0.030 0.000 1.048 332 V CB -0.405 31.444 31.823 0.044 0.000 0.666 332 V HN 0.184 nan 8.190 nan 0.000 0.456 333 L N -0.174 121.065 121.223 0.027 0.000 1.994 333 L HA -0.113 4.227 4.340 0.001 0.000 0.208 333 L C 2.245 179.129 176.870 0.024 0.000 1.071 333 L CA 1.879 56.737 54.840 0.030 0.000 0.745 333 L CB -0.568 41.509 42.059 0.029 0.000 0.892 333 L HN 0.168 nan 8.230 nan 0.000 0.431 334 L N -0.818 120.430 121.223 0.043 0.000 2.079 334 L HA -0.278 4.062 4.340 0.001 0.000 0.210 334 L C 2.691 179.500 176.870 -0.102 0.000 1.081 334 L CA 1.677 56.547 54.840 0.050 0.000 0.752 334 L CB -0.516 41.622 42.059 0.133 0.000 0.896 334 L HN 0.508 nan 8.230 nan 0.000 0.433 335 Q N -0.267 119.498 119.800 -0.059 0.000 2.061 335 Q HA -0.237 4.103 4.340 0.001 0.000 0.204 335 Q C 2.444 178.361 176.000 -0.138 0.000 0.984 335 Q CA 1.604 57.358 55.803 -0.081 0.000 0.846 335 Q CB 0.076 28.802 28.738 -0.020 0.000 0.902 335 Q HN 0.325 nan 8.270 nan 0.000 0.421 336 R N -0.415 120.019 120.500 -0.109 0.000 2.075 336 R HA -0.060 4.281 4.340 0.001 0.000 0.232 336 R C 2.197 178.366 176.300 -0.218 0.000 1.126 336 R CA 1.045 57.061 56.100 -0.140 0.000 0.963 336 R CB -0.573 29.684 30.300 -0.073 0.000 0.858 336 R HN 0.353 nan 8.270 nan 0.000 0.435 337 A N 1.117 123.830 122.820 -0.178 0.000 1.908 337 A HA -0.224 4.097 4.320 0.001 0.000 0.218 337 A C 2.073 179.378 177.584 -0.465 0.000 1.181 337 A CA 1.720 53.663 52.037 -0.156 0.000 0.627 337 A CB -0.418 18.619 19.000 0.062 0.000 0.818 337 A HN 0.420 nan 8.150 nan 0.000 0.445 338 E N -0.364 119.292 120.200 -0.906 0.000 2.107 338 E HA -0.030 4.320 4.350 0.001 0.000 0.191 338 E C 2.091 178.445 176.600 -0.410 0.000 0.982 338 E CA 0.842 56.608 56.400 -1.058 0.000 0.809 338 E CB -0.243 28.856 29.700 -1.002 0.000 0.756 338 E HN 0.538 nan 8.360 nan 0.000 0.459 339 A N 1.356 123.957 122.820 -0.366 0.000 1.902 339 A HA -0.202 4.118 4.320 0.001 0.000 0.217 339 A C 1.949 179.124 177.584 -0.682 0.000 1.181 339 A CA 1.637 53.381 52.037 -0.488 0.000 0.623 339 A CB -0.533 18.167 19.000 -0.500 0.000 0.818 339 A HN 0.273 nan 8.150 nan 0.000 0.443 340 N N -0.430 117.940 118.700 -0.550 0.000 2.354 340 N HA -0.081 4.659 4.740 0.001 0.000 0.179 340 N C 1.964 177.317 175.510 -0.262 0.000 1.021 340 N CA 1.213 53.910 53.050 -0.589 0.000 0.887 340 N CB -0.201 37.621 38.487 -1.108 0.000 0.974 340 N HN 0.491 nan 8.380 nan 0.000 0.437 341 S N 1.123 116.790 115.700 -0.056 0.000 2.368 341 S HA 0.020 4.490 4.470 0.001 0.000 0.225 341 S C 2.006 176.769 174.600 0.272 0.000 1.030 341 S CA 0.636 58.980 58.200 0.241 0.000 0.999 341 S CB -0.124 63.310 63.200 0.391 0.000 0.844 341 S HN 0.203 nan 8.310 nan 0.000 0.459 342 L N 1.005 122.345 121.223 0.194 0.000 2.141 342 L HA 0.003 4.343 4.340 0.001 0.000 0.209 342 L C 2.900 179.935 176.870 0.275 0.000 1.094 342 L CA 0.988 56.010 54.840 0.303 0.000 0.763 342 L CB -0.611 41.612 42.059 0.273 0.000 0.908 342 L HN 0.414 nan 8.230 nan 0.000 0.437 343 A N -0.505 122.382 122.820 0.112 0.000 1.940 343 A HA -0.230 4.090 4.320 0.001 0.000 0.219 343 A C 2.354 180.026 177.584 0.148 0.000 1.176 343 A CA 2.329 54.434 52.037 0.114 0.000 0.631 343 A CB -0.920 18.063 19.000 -0.029 0.000 0.814 343 A HN 0.355 nan 8.150 nan 0.000 0.446 344 T N -1.005 113.619 114.554 0.117 0.000 2.653 344 T HA -0.227 4.123 4.350 0.001 0.000 0.268 344 T C 1.548 176.237 174.700 -0.019 0.000 1.035 344 T CA 2.211 64.323 62.100 0.019 0.000 1.154 344 T CB -0.488 68.283 68.868 -0.162 0.000 0.862 344 T HN 0.631 nan 8.240 nan 0.000 0.441 345 Y N 0.437 120.825 120.300 0.147 0.000 2.561 345 Y HA 0.290 4.845 4.550 0.008 0.000 0.291 345 Y C 1.999 177.970 175.900 0.119 0.000 1.141 345 Y CA 0.147 58.321 58.100 0.123 0.000 1.303 345 Y CB -0.298 38.228 38.460 0.110 0.000 1.015 345 Y HN 0.375 nan 8.280 nan 0.000 0.547 346 G N 0.214 109.169 108.800 0.259 0.000 2.136 346 G HA2 -0.275 3.686 3.960 0.001 0.000 0.242 346 G HA3 -0.275 3.686 3.960 0.001 0.000 0.242 346 G C 0.475 175.492 174.900 0.196 0.000 0.989 346 G CA -0.010 45.214 45.100 0.207 0.000 0.682 346 G HN 0.304 nan 8.290 nan 0.000 0.522 347 K N -0.269 120.272 120.400 0.236 0.000 3.205 347 K HA 0.279 4.600 4.320 0.001 0.000 0.202 347 K C -0.866 175.865 176.600 0.218 0.000 1.160 347 K CA -0.471 55.925 56.287 0.182 0.000 0.995 347 K CB 0.727 33.314 32.500 0.146 0.000 1.041 347 K HN 0.491 nan 8.250 nan 0.000 0.507 348 Y N 1.291 121.636 120.300 0.074 0.000 2.328 348 Y HA 0.134 4.683 4.550 -0.002 0.000 0.336 348 Y C -0.466 175.452 175.900 0.030 0.000 0.960 348 Y CA -0.644 57.484 58.100 0.047 0.000 1.134 348 Y CB 0.824 39.308 38.460 0.041 0.000 1.166 348 Y HN 0.182 nan 8.280 nan 0.000 0.464 349 K N 4.249 124.293 120.400 -0.594 0.000 5.294 349 K HA -0.183 4.137 4.320 0.001 0.000 0.344 349 K C 0.723 177.197 176.600 -0.210 0.000 0.909 349 K CA 0.742 56.740 56.287 -0.482 0.000 1.081 349 K CB -1.238 30.845 32.500 -0.695 0.000 1.814 349 K HN 1.133 nan 8.250 nan 0.000 0.407 350 G N 1.339 110.073 108.800 -0.111 0.000 3.241 350 G HA2 0.141 4.101 3.960 0.001 0.000 0.197 350 G HA3 0.141 4.101 3.960 0.001 0.000 0.197 350 G C 0.795 175.674 174.900 -0.035 0.000 1.198 350 G CA 0.782 45.855 45.100 -0.046 0.000 1.156 350 G HN 1.049 nan 8.290 nan 0.000 0.516 351 G N -2.765 106.006 108.800 -0.048 0.000 2.359 351 G HA2 0.545 4.505 3.960 0.001 0.000 0.303 351 G HA3 0.545 4.505 3.960 0.001 0.000 0.303 351 G C -0.318 174.562 174.900 -0.033 0.000 1.293 351 G CA 0.125 45.210 45.100 -0.025 0.000 0.964 351 G HN 1.569 nan 8.290 nan 0.000 0.531 352 A N -0.947 121.863 122.820 -0.016 0.000 2.861 352 A HA 0.831 5.151 4.320 0.001 0.000 0.195 352 A C 0.620 178.200 177.584 -0.006 0.000 1.370 352 A CA 1.398 53.426 52.037 -0.016 0.000 1.377 352 A CB -0.127 18.862 19.000 -0.018 0.000 1.144 352 A HN 2.644 nan 8.150 nan 0.000 0.628 353 G N 0.000 108.798 108.800 -0.004 0.000 5.446 353 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 353 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 353 G CA 0.000 45.100 45.100 -0.000 0.000 0.502 353 G HN 0.000 nan 8.290 nan 0.000 0.925