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 3m0l_1_D DATA FIRST_RESID 3 DATA SEQUENCE EFRIAQDVVA RENDRRASAL KEDYEALGAN LARRGVDIEA VTAKVEKFFV DATA SEQUENCE AVPSWGVGTG GTRFARFPGT GEPRGIFDKL DDCAVIQQLT RATPNVSLHI DATA SEQUENCE PWDKADPKEL KARGDALGLG FDAMNSNTFS DAPGQAHSYK YGSLSHTNAA DATA SEQUENCE TRAQAVEHNL ECIEIGKAIG SKALTVWIGD GSNFPGQSNF TRAFERYLSA DATA SEQUENCE MAEIYKGLPD DWKLFSEHKM YEPAFYSTVV QDWGTNYLIA QTLGPKAQCL DATA SEQUENCE VDLGHHAPNT NIEMIVARLI QFGKLGGFHF NDSKYGDDDL DAGAIEPYRL DATA SEQUENCE FLVFNELVDA EARGVKGFHP AHMIDQFHNV TDPIESLINS ANEIRRAYAQ DATA SEQUENCE ALLVDRAALS GYQEDNDALM ATETLKRAYR TDVEPILAEA RRRTGGAVDP DATA SEQUENCE VATYRASGYR ARVAAERPA 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 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.393 176.600 -0.345 0.000 1.382 3 E CA 0.000 56.328 56.400 -0.119 0.000 0.976 3 E CB 0.000 29.685 29.700 -0.025 0.000 0.812 4 F N 1.643 121.602 119.950 0.016 0.000 2.460 4 F HA 0.436 4.974 4.527 0.018 0.000 0.341 4 F C 1.381 177.201 175.800 0.034 0.000 1.130 4 F CA -1.052 56.955 58.000 0.012 0.000 0.962 4 F CB 1.498 40.501 39.000 0.006 0.000 1.171 4 F HN 0.378 nan 8.300 nan 0.000 0.436 5 R N 1.697 122.288 120.500 0.151 0.000 2.105 5 R HA 0.003 4.355 4.340 0.019 0.000 0.239 5 R C 0.387 176.801 176.300 0.189 0.000 1.135 5 R CA 1.031 57.229 56.100 0.164 0.000 0.967 5 R CB -0.087 30.240 30.300 0.045 0.000 0.861 5 R HN 0.352 nan 8.270 nan 0.000 0.442 6 I N 1.134 121.790 120.570 0.144 0.000 2.339 6 I HA 0.242 4.424 4.170 0.019 0.000 0.290 6 I C 0.246 176.429 176.117 0.109 0.000 0.994 6 I CA -1.683 59.687 61.300 0.117 0.000 1.191 6 I CB 1.015 39.054 38.000 0.065 0.000 1.343 6 I HN -0.072 nan 8.210 nan 0.000 0.458 7 A N 6.209 129.071 122.820 0.071 0.000 2.584 7 A HA -0.013 4.318 4.320 0.019 0.000 0.239 7 A C 1.286 178.840 177.584 -0.051 0.000 1.043 7 A CA 0.232 52.276 52.037 0.012 0.000 0.756 7 A CB 0.045 19.048 19.000 0.005 0.000 0.963 7 A HN 0.825 nan 8.150 nan 0.000 0.511 8 Q N 1.077 120.781 119.800 -0.161 0.000 2.226 8 Q HA -0.203 4.148 4.340 0.019 0.000 0.204 8 Q C 1.206 177.129 176.000 -0.128 0.000 0.975 8 Q CA 1.532 57.201 55.803 -0.223 0.000 0.866 8 Q CB -0.106 28.377 28.738 -0.426 0.000 0.915 8 Q HN 1.002 nan 8.270 nan 0.000 0.440 9 D N 0.080 120.422 120.400 -0.097 0.000 2.178 9 D HA -0.117 4.535 4.640 0.019 0.000 0.202 9 D C 1.803 178.077 176.300 -0.044 0.000 0.974 9 D CA 0.771 54.732 54.000 -0.065 0.000 0.841 9 D CB -0.457 40.312 40.800 -0.051 0.000 0.953 9 D HN 0.074 nan 8.370 nan 0.000 0.478 10 V N 0.655 120.548 119.914 -0.034 0.000 2.358 10 V HA -0.191 3.940 4.120 0.019 0.000 0.246 10 V C 2.853 178.937 176.094 -0.017 0.000 1.047 10 V CA 1.145 63.433 62.300 -0.019 0.000 1.035 10 V CB -0.265 31.555 31.823 -0.006 0.000 0.658 10 V HN 0.115 nan 8.190 nan 0.000 0.452 11 V N 0.407 120.308 119.914 -0.022 0.000 2.295 11 V HA -0.278 3.854 4.120 0.019 0.000 0.246 11 V C 2.718 178.798 176.094 -0.024 0.000 1.049 11 V CA 2.130 64.421 62.300 -0.016 0.000 1.024 11 V CB -1.181 30.632 31.823 -0.018 0.000 0.648 11 V HN 0.560 nan 8.190 nan 0.000 0.447 12 A N -0.102 122.695 122.820 -0.039 0.000 1.877 12 A HA -0.268 4.063 4.320 0.019 0.000 0.216 12 A C 2.438 180.005 177.584 -0.028 0.000 1.186 12 A CA 2.126 54.140 52.037 -0.038 0.000 0.620 12 A CB -0.620 18.351 19.000 -0.049 0.000 0.822 12 A HN 0.461 nan 8.150 nan 0.000 0.443 13 R N -0.512 119.973 120.500 -0.026 0.000 2.083 13 R HA -0.155 4.196 4.340 0.019 0.000 0.237 13 R C 1.689 177.980 176.300 -0.015 0.000 1.137 13 R CA 1.715 57.803 56.100 -0.020 0.000 0.951 13 R CB -0.233 30.056 30.300 -0.018 0.000 0.851 13 R HN 0.443 nan 8.270 nan 0.000 0.434 14 E N 0.165 120.358 120.200 -0.012 0.000 2.347 14 E HA -0.102 4.260 4.350 0.019 0.000 0.196 14 E C 1.388 177.983 176.600 -0.008 0.000 1.008 14 E CA 0.816 57.212 56.400 -0.006 0.000 0.852 14 E CB -0.229 29.471 29.700 0.001 0.000 0.783 14 E HN 0.534 nan 8.360 nan 0.000 0.505 15 N N 0.538 119.231 118.700 -0.013 0.000 2.251 15 N HA -0.089 4.663 4.740 0.019 0.000 0.181 15 N C 1.162 176.661 175.510 -0.018 0.000 1.019 15 N CA 0.566 53.606 53.050 -0.016 0.000 0.862 15 N CB 0.184 38.659 38.487 -0.020 0.000 0.992 15 N HN 0.025 nan 8.380 nan 0.000 0.429 16 D N 1.016 121.405 120.400 -0.019 0.000 2.144 16 D HA -0.147 4.504 4.640 0.019 0.000 0.199 16 D C 1.751 178.043 176.300 -0.015 0.000 0.984 16 D CA 0.761 54.749 54.000 -0.019 0.000 0.834 16 D CB -0.157 40.631 40.800 -0.019 0.000 0.955 16 D HN 0.194 nan 8.370 nan 0.000 0.465 17 R N 0.612 121.105 120.500 -0.012 0.000 2.193 17 R HA -0.036 4.315 4.340 0.019 0.000 0.229 17 R C 1.331 177.626 176.300 -0.009 0.000 1.110 17 R CA 0.960 57.054 56.100 -0.010 0.000 0.988 17 R CB 0.207 30.502 30.300 -0.008 0.000 0.871 17 R HN 0.106 nan 8.270 nan 0.000 0.458 18 R N -1.542 118.952 120.500 -0.009 0.000 2.476 18 R HA 0.246 4.597 4.340 0.019 0.000 0.276 18 R C 1.659 177.953 176.300 -0.010 0.000 0.941 18 R CA 0.363 56.458 56.100 -0.008 0.000 1.088 18 R CB 0.679 30.976 30.300 -0.006 0.000 1.216 18 R HN 0.074 nan 8.270 nan 0.000 0.533 19 A N 1.112 123.923 122.820 -0.015 0.000 1.883 19 A HA -0.242 4.089 4.320 0.019 0.000 0.217 19 A C 2.150 179.726 177.584 -0.014 0.000 1.186 19 A CA 2.186 54.212 52.037 -0.019 0.000 0.624 19 A CB -0.633 18.353 19.000 -0.023 0.000 0.822 19 A HN 0.273 nan 8.150 nan 0.000 0.444 20 S N -0.481 115.214 115.700 -0.010 0.000 2.359 20 S HA -0.129 4.352 4.470 0.019 0.000 0.222 20 S C 2.240 176.840 174.600 0.000 0.000 1.038 20 S CA 2.015 60.212 58.200 -0.005 0.000 1.051 20 S CB -0.632 62.564 63.200 -0.005 0.000 0.944 20 S HN 0.951 nan 8.310 nan 0.000 0.433 21 A N 1.320 124.140 122.820 -0.000 0.000 1.908 21 A HA -0.067 4.264 4.320 0.019 0.000 0.218 21 A C 2.207 179.799 177.584 0.013 0.000 1.181 21 A CA 1.846 53.885 52.037 0.004 0.000 0.627 21 A CB -1.000 18.000 19.000 -0.000 0.000 0.818 21 A HN 0.601 nan 8.150 nan 0.000 0.445 22 L N -0.075 121.155 121.223 0.012 0.000 2.046 22 L HA -0.140 4.212 4.340 0.019 0.000 0.208 22 L C 2.267 179.169 176.870 0.053 0.000 1.077 22 L CA 2.690 57.546 54.840 0.026 0.000 0.747 22 L CB -0.597 41.463 42.059 0.002 0.000 0.896 22 L HN 0.465 nan 8.230 nan 0.000 0.432 23 K N -0.859 119.558 120.400 0.028 0.000 2.063 23 K HA -0.195 4.137 4.320 0.019 0.000 0.208 23 K C 1.973 178.617 176.600 0.073 0.000 1.048 23 K CA 1.572 57.885 56.287 0.044 0.000 0.928 23 K CB -0.040 32.468 32.500 0.013 0.000 0.713 23 K HN 0.354 nan 8.250 nan 0.000 0.442 24 E N 1.102 121.327 120.200 0.043 0.000 2.051 24 E HA -0.183 4.178 4.350 0.019 0.000 0.192 24 E C 1.803 178.424 176.600 0.036 0.000 0.991 24 E CA 1.199 57.619 56.400 0.032 0.000 0.799 24 E CB -0.285 29.423 29.700 0.014 0.000 0.748 24 E HN 0.411 nan 8.360 nan 0.000 0.449 25 D N -0.158 120.266 120.400 0.041 0.000 2.117 25 D HA -0.150 4.502 4.640 0.019 0.000 0.198 25 D C 1.927 178.253 176.300 0.043 0.000 0.982 25 D CA 0.774 54.791 54.000 0.028 0.000 0.828 25 D CB -0.382 40.434 40.800 0.025 0.000 0.967 25 D HN 0.209 nan 8.370 nan 0.000 0.464 26 Y N 1.878 122.161 120.300 -0.028 0.000 2.163 26 Y HA -0.139 4.422 4.550 0.018 0.000 0.288 26 Y C 2.161 178.045 175.900 -0.026 0.000 1.136 26 Y CA 1.579 59.662 58.100 -0.028 0.000 1.147 26 Y CB 0.084 38.529 38.460 -0.024 0.000 0.987 26 Y HN -0.053 nan 8.280 nan 0.000 0.509 27 E N -0.218 120.058 120.200 0.128 0.000 2.150 27 E HA -0.189 4.172 4.350 0.019 0.000 0.193 27 E C 2.310 178.887 176.600 -0.039 0.000 0.985 27 E CA 0.795 57.222 56.400 0.045 0.000 0.814 27 E CB -0.264 29.477 29.700 0.069 0.000 0.752 27 E HN 0.570 nan 8.360 nan 0.000 0.466 28 A N 1.394 124.191 122.820 -0.037 0.000 1.877 28 A HA -0.161 4.171 4.320 0.019 0.000 0.216 28 A C 2.170 179.698 177.584 -0.094 0.000 1.186 28 A CA 1.008 53.013 52.037 -0.053 0.000 0.620 28 A CB -0.492 18.483 19.000 -0.040 0.000 0.822 28 A HN 0.221 nan 8.150 nan 0.000 0.443 29 L N 0.221 121.361 121.223 -0.139 0.000 2.093 29 L HA 0.019 4.370 4.340 0.019 0.000 0.208 29 L C 2.357 179.097 176.870 -0.217 0.000 1.085 29 L CA 2.213 56.943 54.840 -0.183 0.000 0.755 29 L CB -1.156 40.766 42.059 -0.229 0.000 0.904 29 L HN 0.299 nan 8.230 nan 0.000 0.435 30 G N -0.932 107.700 108.800 -0.280 0.000 2.440 30 G HA2 -0.277 3.694 3.960 0.019 0.000 0.218 30 G HA3 -0.277 3.694 3.960 0.019 0.000 0.218 30 G C 1.594 176.417 174.900 -0.128 0.000 1.154 30 G CA 0.891 45.847 45.100 -0.240 0.000 0.767 30 G HN 0.632 nan 8.290 nan 0.000 0.552 31 A N 1.108 123.870 122.820 -0.096 0.000 1.873 31 A HA -0.113 4.219 4.320 0.019 0.000 0.215 31 A C 2.229 179.775 177.584 -0.064 0.000 1.186 31 A CA 1.890 53.889 52.037 -0.063 0.000 0.616 31 A CB -0.632 18.340 19.000 -0.047 0.000 0.823 31 A HN 0.450 nan 8.150 nan 0.000 0.442 32 N N 0.415 119.069 118.700 -0.076 0.000 2.104 32 N HA -0.134 4.617 4.740 0.019 0.000 0.190 32 N C 1.751 177.219 175.510 -0.070 0.000 1.024 32 N CA 1.685 54.693 53.050 -0.070 0.000 0.853 32 N CB -0.273 38.168 38.487 -0.078 0.000 1.008 32 N HN 0.508 nan 8.380 nan 0.000 0.424 33 L N 0.656 121.826 121.223 -0.089 0.000 2.093 33 L HA -0.072 4.279 4.340 0.019 0.000 0.208 33 L C 2.713 179.546 176.870 -0.061 0.000 1.085 33 L CA 1.060 55.851 54.840 -0.082 0.000 0.755 33 L CB -0.501 41.494 42.059 -0.107 0.000 0.904 33 L HN 0.184 nan 8.230 nan 0.000 0.435 34 A N 0.104 122.888 122.820 -0.060 0.000 1.902 34 A HA -0.194 4.137 4.320 0.019 0.000 0.217 34 A C 2.350 179.914 177.584 -0.033 0.000 1.181 34 A CA 1.289 53.301 52.037 -0.042 0.000 0.623 34 A CB -0.448 18.529 19.000 -0.038 0.000 0.818 34 A HN 0.305 nan 8.150 nan 0.000 0.443 35 R N -0.837 119.642 120.500 -0.035 0.000 2.193 35 R HA -0.039 4.313 4.340 0.019 0.000 0.229 35 R C 1.591 177.876 176.300 -0.024 0.000 1.110 35 R CA 1.229 57.313 56.100 -0.028 0.000 0.988 35 R CB -0.147 30.136 30.300 -0.029 0.000 0.871 35 R HN 0.443 nan 8.270 nan 0.000 0.458 36 R N -0.682 119.800 120.500 -0.029 0.000 2.359 36 R HA 0.112 4.464 4.340 0.019 0.000 0.231 36 R C 0.722 177.010 176.300 -0.019 0.000 0.913 36 R CA 0.465 56.551 56.100 -0.023 0.000 1.075 36 R CB 0.836 31.119 30.300 -0.028 0.000 1.087 36 R HN 0.291 nan 8.270 nan 0.000 0.515 37 G N 0.695 109.482 108.800 -0.021 0.000 2.147 37 G HA2 -0.243 3.728 3.960 0.019 0.000 0.244 37 G HA3 -0.243 3.728 3.960 0.019 0.000 0.244 37 G C -0.077 174.811 174.900 -0.021 0.000 1.005 37 G CA 0.115 45.204 45.100 -0.018 0.000 0.713 37 G HN 0.154 nan 8.290 nan 0.000 0.515 38 V N 0.372 120.268 119.914 -0.030 0.000 2.495 38 V HA 0.543 4.674 4.120 0.019 0.000 0.298 38 V C -0.234 175.836 176.094 -0.041 0.000 1.031 38 V CA -0.854 61.425 62.300 -0.035 0.000 0.871 38 V CB 1.988 33.784 31.823 -0.045 0.000 0.988 38 V HN 0.303 nan 8.190 nan 0.000 0.432 39 D N 3.374 123.755 120.400 -0.032 0.000 2.380 39 D HA 0.194 4.846 4.640 0.019 0.000 0.230 39 D C 0.948 177.226 176.300 -0.036 0.000 1.154 39 D CA -0.135 53.849 54.000 -0.027 0.000 0.859 39 D CB 1.182 41.976 40.800 -0.009 0.000 1.045 39 D HN 0.545 nan 8.370 nan 0.000 0.495 40 I N 3.352 123.884 120.570 -0.063 0.000 2.335 40 I HA -0.228 3.953 4.170 0.019 0.000 0.251 40 I C 1.493 177.609 176.117 -0.002 0.000 1.129 40 I CA 1.110 62.355 61.300 -0.093 0.000 1.402 40 I CB 0.361 38.216 38.000 -0.242 0.000 1.069 40 I HN 0.359 nan 8.210 nan 0.000 0.424 41 E N 1.016 121.242 120.200 0.044 0.000 2.110 41 E HA -0.199 4.162 4.350 0.019 0.000 0.193 41 E C 2.216 178.848 176.600 0.053 0.000 0.988 41 E CA 1.344 57.795 56.400 0.086 0.000 0.804 41 E CB -0.343 29.401 29.700 0.073 0.000 0.745 41 E HN 0.648 nan 8.360 nan 0.000 0.458 42 A N 0.747 123.582 122.820 0.025 0.000 1.969 42 A HA -0.107 4.224 4.320 0.019 0.000 0.218 42 A C 2.557 180.145 177.584 0.008 0.000 1.169 42 A CA 1.239 53.286 52.037 0.017 0.000 0.635 42 A CB -0.391 18.613 19.000 0.006 0.000 0.810 42 A HN 0.135 nan 8.150 nan 0.000 0.445 43 V N -0.619 119.289 119.914 -0.009 0.000 2.283 43 V HA -0.181 3.950 4.120 0.019 0.000 0.243 43 V C 2.688 178.781 176.094 -0.001 0.000 1.039 43 V CA 2.343 64.620 62.300 -0.038 0.000 1.016 43 V CB -1.389 30.391 31.823 -0.071 0.000 0.650 43 V HN 0.552 nan 8.190 nan 0.000 0.449 44 T N 0.813 115.393 114.554 0.044 0.000 2.720 44 T HA -0.220 4.141 4.350 0.019 0.000 0.268 44 T C 2.081 176.818 174.700 0.061 0.000 1.037 44 T CA 1.764 63.912 62.100 0.081 0.000 1.144 44 T CB -0.501 68.461 68.868 0.157 0.000 0.864 44 T HN 0.565 nan 8.240 nan 0.000 0.444 45 A N 1.664 124.517 122.820 0.055 0.000 1.908 45 A HA -0.166 4.165 4.320 0.019 0.000 0.218 45 A C 2.284 179.900 177.584 0.053 0.000 1.181 45 A CA 1.707 53.773 52.037 0.049 0.000 0.627 45 A CB -0.427 18.599 19.000 0.044 0.000 0.818 45 A HN 0.471 nan 8.150 nan 0.000 0.445 46 K N -0.642 119.798 120.400 0.068 0.000 2.103 46 K HA 0.008 4.339 4.320 0.019 0.000 0.204 46 K C 1.862 178.578 176.600 0.193 0.000 1.052 46 K CA 1.122 57.485 56.287 0.127 0.000 0.945 46 K CB -0.261 32.324 32.500 0.140 0.000 0.722 46 K HN 0.297 nan 8.250 nan 0.000 0.443 47 V N 2.783 122.785 119.914 0.147 0.000 2.343 47 V HA -0.250 3.881 4.120 0.019 0.000 0.247 47 V C 2.067 178.204 176.094 0.072 0.000 1.051 47 V CA 2.102 64.495 62.300 0.155 0.000 1.036 47 V CB -0.625 31.235 31.823 0.062 0.000 0.654 47 V HN 0.468 nan 8.190 nan 0.000 0.451 48 E N 0.227 120.450 120.200 0.039 0.000 2.472 48 E HA -0.176 4.185 4.350 0.019 0.000 0.200 48 E C 1.681 178.225 176.600 -0.094 0.000 1.046 48 E CA 0.786 57.201 56.400 0.024 0.000 0.871 48 E CB -0.193 29.539 29.700 0.052 0.000 0.806 48 E HN 0.549 nan 8.360 nan 0.000 0.533 49 K N 0.105 120.377 120.400 -0.213 0.000 2.353 49 K HA 0.123 4.454 4.320 0.019 0.000 0.195 49 K C -0.254 175.728 176.600 -1.030 0.000 1.031 49 K CA -0.329 55.630 56.287 -0.548 0.000 1.079 49 K CB 0.287 32.661 32.500 -0.211 0.000 0.857 49 K HN 0.050 nan 8.250 nan 0.000 0.535 50 F N 1.738 121.233 119.950 -0.758 0.000 2.444 50 F HA 0.232 4.766 4.527 0.013 0.000 0.360 50 F C -0.628 174.796 175.800 -0.627 0.000 1.106 50 F CA -0.614 56.957 58.000 -0.715 0.000 1.170 50 F CB 0.271 38.863 39.000 -0.680 0.000 1.113 50 F HN -0.235 nan 8.300 nan 0.000 0.521 51 F N 5.310 124.855 119.950 -0.675 0.000 2.546 51 F HA 0.658 5.202 4.527 0.028 0.000 0.320 51 F C -0.535 175.004 175.800 -0.434 0.000 1.076 51 F CA -1.437 56.338 58.000 -0.376 0.000 0.928 51 F CB 1.585 40.453 39.000 -0.220 0.000 1.189 51 F HN 0.202 nan 8.300 nan 0.000 0.465 52 V N 2.125 122.074 119.914 0.059 0.000 2.686 52 V HA 0.854 4.985 4.120 0.019 0.000 0.306 52 V C -0.696 175.451 176.094 0.088 0.000 1.065 52 V CA -0.793 61.578 62.300 0.120 0.000 0.894 52 V CB 1.517 33.471 31.823 0.217 0.000 1.004 52 V HN 1.034 nan 8.190 nan 0.000 0.424 53 A N 5.804 128.677 122.820 0.087 0.000 2.425 53 A HA 0.627 4.958 4.320 0.019 0.000 0.249 53 A C -0.020 177.539 177.584 -0.041 0.000 1.084 53 A CA 0.179 52.221 52.037 0.010 0.000 0.781 53 A CB 0.635 19.649 19.000 0.023 0.000 1.019 53 A HN 1.820 nan 8.150 nan 0.000 0.490 54 V N 0.982 120.834 119.914 -0.104 0.000 2.481 54 V HA 0.627 4.758 4.120 0.019 0.000 0.286 54 V C -2.457 173.452 176.094 -0.308 0.000 1.042 54 V CA -2.308 59.887 62.300 -0.176 0.000 0.928 54 V CB 1.243 32.975 31.823 -0.151 0.000 0.986 54 V HN 0.778 nan 8.190 nan 0.000 0.462 55 P HA 0.204 nan 4.420 nan 0.000 0.286 55 P C 0.872 177.726 177.300 -0.744 0.000 1.269 55 P CA -0.043 62.375 63.100 -1.138 0.000 0.787 55 P CB 1.776 32.265 31.700 -2.018 0.000 0.920 56 S N 3.018 118.485 115.700 -0.388 0.000 2.383 56 S HA -0.191 4.290 4.470 0.019 0.000 0.229 56 S C 1.529 176.168 174.600 0.065 0.000 1.030 56 S CA 0.859 59.052 58.200 -0.013 0.000 1.002 56 S CB -1.497 61.842 63.200 0.233 0.000 0.829 56 S HN 0.699 nan 8.310 nan 0.000 0.467 57 W N 1.797 123.175 121.300 0.130 0.000 2.961 57 W HA 0.526 5.197 4.660 0.019 0.000 0.240 57 W C 1.676 178.143 176.519 -0.088 0.000 1.305 57 W CA -0.151 57.230 57.345 0.060 0.000 1.465 57 W CB -0.686 28.888 29.460 0.190 0.000 1.135 57 W HN 0.234 nan 8.180 nan 0.000 0.688 58 G N 0.526 109.121 108.800 -0.343 0.000 2.887 58 G HA2 0.002 3.973 3.960 0.019 0.000 0.211 58 G HA3 0.002 3.973 3.960 0.019 0.000 0.211 58 G C 1.132 176.083 174.900 0.084 0.000 1.152 58 G CA 0.555 45.550 45.100 -0.176 0.000 0.769 58 G HN 0.224 nan 8.290 nan 0.000 0.541 59 V N 0.925 120.845 119.914 0.010 0.000 2.719 59 V HA 0.169 4.300 4.120 0.019 0.000 0.252 59 V C 1.845 177.993 176.094 0.090 0.000 1.065 59 V CA 1.206 63.527 62.300 0.035 0.000 1.086 59 V CB -0.399 31.438 31.823 0.022 0.000 0.700 59 V HN 0.323 nan 8.190 nan 0.000 0.467 60 G N -0.570 108.299 108.800 0.116 0.000 2.491 60 G HA2 0.448 4.419 3.960 0.019 0.000 0.327 60 G HA3 0.448 4.419 3.960 0.019 0.000 0.327 60 G C -0.388 174.610 174.900 0.163 0.000 1.189 60 G CA -0.268 44.905 45.100 0.123 0.000 0.956 60 G HN 0.146 nan 8.290 nan 0.000 0.491 61 T N 0.315 114.958 114.554 0.148 0.000 2.901 61 T HA 0.469 4.830 4.350 0.019 0.000 0.301 61 T C 0.930 175.733 174.700 0.171 0.000 1.012 61 T CA 0.454 62.659 62.100 0.175 0.000 1.135 61 T CB 1.162 70.121 68.868 0.152 0.000 0.936 61 T HN 0.714 nan 8.240 nan 0.000 0.539 62 G N 0.926 109.858 108.800 0.221 0.000 2.531 62 G HA2 0.720 4.691 3.960 0.019 0.000 0.313 62 G HA3 0.720 4.691 3.960 0.019 0.000 0.313 62 G C -0.136 174.807 174.900 0.072 0.000 1.238 62 G CA -0.535 44.684 45.100 0.198 0.000 0.994 62 G HN 0.965 nan 8.290 nan 0.000 0.493 63 G N -1.866 106.901 108.800 -0.055 0.000 2.708 63 G HA2 0.685 4.656 3.960 0.019 0.000 0.289 63 G HA3 0.685 4.656 3.960 0.019 0.000 0.289 63 G C -0.345 174.492 174.900 -0.106 0.000 1.416 63 G CA 0.305 45.367 45.100 -0.063 0.000 0.829 63 G HN 1.032 nan 8.290 nan 0.000 0.480 64 T N -2.792 111.738 114.554 -0.041 0.000 2.889 64 T HA 0.414 4.775 4.350 0.019 0.000 0.278 64 T C 1.485 176.141 174.700 -0.074 0.000 0.995 64 T CA -0.279 61.807 62.100 -0.022 0.000 0.966 64 T CB 1.558 70.498 68.868 0.121 0.000 1.237 64 T HN 0.761 nan 8.240 nan 0.000 0.591 65 R N -0.709 119.710 120.500 -0.134 0.000 2.280 65 R HA 0.119 4.470 4.340 0.019 0.000 0.207 65 R C 1.121 177.214 176.300 -0.345 0.000 1.043 65 R CA 1.008 56.953 56.100 -0.259 0.000 1.006 65 R CB -0.636 29.457 30.300 -0.345 0.000 0.885 65 R HN 0.503 nan 8.270 nan 0.000 0.467 66 F N 0.859 120.794 119.950 -0.026 0.000 2.317 66 F HA 0.401 4.939 4.527 0.018 0.000 0.290 66 F C 1.156 176.907 175.800 -0.081 0.000 1.075 66 F CA 0.618 58.602 58.000 -0.026 0.000 1.380 66 F CB 0.321 39.326 39.000 0.009 0.000 1.093 66 F HN 0.212 nan 8.300 nan 0.000 0.524 67 A N -0.532 122.304 122.820 0.027 0.000 2.566 67 A HA 0.689 5.020 4.320 0.019 0.000 0.290 67 A C -1.245 176.123 177.584 -0.361 0.000 1.071 67 A CA -0.802 51.087 52.037 -0.247 0.000 0.658 67 A CB 1.145 19.869 19.000 -0.460 0.000 1.285 67 A HN 0.050 nan 8.150 nan 0.000 0.427 68 R N 0.028 120.205 120.500 -0.539 0.000 2.538 68 R HA 0.679 5.030 4.340 0.019 0.000 0.292 68 R C -2.200 173.795 176.300 -0.508 0.000 1.008 68 R CA -0.443 55.440 56.100 -0.362 0.000 0.896 68 R CB 0.921 31.118 30.300 -0.172 0.000 1.187 68 R HN 0.558 nan 8.270 nan 0.000 0.440 69 F N 5.694 125.674 119.950 0.049 0.000 2.453 69 F HA 0.351 4.889 4.527 0.018 0.000 0.358 69 F C -1.672 174.160 175.800 0.053 0.000 1.129 69 F CA -2.053 55.977 58.000 0.048 0.000 1.200 69 F CB 1.101 40.131 39.000 0.050 0.000 1.431 69 F HN 0.302 nan 8.300 nan 0.000 0.503 70 P HA 0.196 nan 4.420 nan 0.000 0.269 70 P C 0.344 177.723 177.300 0.132 0.000 1.215 70 P CA 0.080 63.256 63.100 0.126 0.000 0.780 70 P CB 1.437 33.185 31.700 0.079 0.000 0.898 71 G N 1.039 109.909 108.800 0.116 0.000 2.606 71 G HA2 0.530 4.501 3.960 0.019 0.000 0.262 71 G HA3 0.530 4.501 3.960 0.019 0.000 0.262 71 G C -0.269 174.680 174.900 0.082 0.000 1.394 71 G CA -0.353 44.808 45.100 0.102 0.000 1.044 71 G HN 0.675 nan 8.290 nan 0.000 0.553 72 T N -3.671 110.926 114.554 0.071 0.000 2.899 72 T HA 0.459 4.820 4.350 0.019 0.000 0.284 72 T C 1.204 175.936 174.700 0.053 0.000 1.004 72 T CA 0.727 62.859 62.100 0.053 0.000 1.043 72 T CB 1.066 69.957 68.868 0.038 0.000 1.013 72 T HN 2.170 nan 8.240 nan 0.000 0.518 73 G N 1.241 110.062 108.800 0.035 0.000 2.305 73 G HA2 -0.198 3.773 3.960 0.019 0.000 0.287 73 G HA3 -0.198 3.773 3.960 0.019 0.000 0.287 73 G C -0.038 174.895 174.900 0.056 0.000 1.036 73 G CA -0.073 45.043 45.100 0.028 0.000 0.887 73 G HN 0.886 nan 8.290 nan 0.000 0.505 74 E N 0.874 121.112 120.200 0.062 0.000 2.414 74 E HA 0.164 4.525 4.350 0.019 0.000 0.263 74 E C -1.626 175.018 176.600 0.074 0.000 1.000 74 E CA -1.336 55.108 56.400 0.074 0.000 0.914 74 E CB 0.672 30.412 29.700 0.067 0.000 0.948 74 E HN 0.356 nan 8.360 nan 0.000 0.444 75 P HA 0.075 nan 4.420 nan 0.000 0.268 75 P C 0.139 177.490 177.300 0.086 0.000 1.204 75 P CA 0.085 63.242 63.100 0.095 0.000 0.768 75 P CB 0.712 32.476 31.700 0.107 0.000 0.842 76 R N 1.649 122.203 120.500 0.091 0.000 2.153 76 R HA 0.199 4.551 4.340 0.019 0.000 0.218 76 R C 1.372 177.733 176.300 0.101 0.000 1.072 76 R CA 1.098 57.250 56.100 0.087 0.000 0.990 76 R CB -0.003 30.349 30.300 0.086 0.000 0.889 76 R HN 0.679 nan 8.270 nan 0.000 0.452 77 G N -0.760 108.114 108.800 0.123 0.000 2.561 77 G HA2 0.134 4.106 3.960 0.019 0.000 0.310 77 G HA3 0.134 4.106 3.960 0.019 0.000 0.310 77 G C -0.281 174.685 174.900 0.111 0.000 1.292 77 G CA -0.700 44.476 45.100 0.126 0.000 0.811 77 G HN -0.015 nan 8.290 nan 0.000 0.482 78 I N -0.410 120.189 120.570 0.048 0.000 2.361 78 I HA 0.065 4.246 4.170 0.019 0.000 0.251 78 I C 2.153 178.216 176.117 -0.090 0.000 1.133 78 I CA 1.457 62.730 61.300 -0.046 0.000 1.413 78 I CB -0.400 37.496 38.000 -0.172 0.000 1.073 78 I HN 0.370 nan 8.210 nan 0.000 0.424 79 F N 0.733 120.750 119.950 0.112 0.000 2.186 79 F HA -0.142 4.396 4.527 0.019 0.000 0.299 79 F C 2.292 178.149 175.800 0.095 0.000 1.090 79 F CA 1.452 59.512 58.000 0.100 0.000 1.307 79 F CB -0.815 38.234 39.000 0.082 0.000 1.019 79 F HN 0.111 nan 8.300 nan 0.000 0.489 80 D N 0.110 120.659 120.400 0.249 0.000 2.149 80 D HA -0.106 4.545 4.640 0.019 0.000 0.201 80 D C 2.111 178.505 176.300 0.157 0.000 0.972 80 D CA 1.003 55.114 54.000 0.184 0.000 0.835 80 D CB -0.240 40.648 40.800 0.147 0.000 0.966 80 D HN 0.225 nan 8.370 nan 0.000 0.476 81 K N 0.242 120.719 120.400 0.129 0.000 2.057 81 K HA -0.049 4.282 4.320 0.019 0.000 0.207 81 K C 2.266 178.916 176.600 0.084 0.000 1.049 81 K CA 0.571 56.918 56.287 0.100 0.000 0.931 81 K CB -0.092 32.463 32.500 0.091 0.000 0.714 81 K HN 0.159 nan 8.250 nan 0.000 0.440 82 L N 1.104 122.383 121.223 0.094 0.000 2.046 82 L HA -0.219 4.132 4.340 0.019 0.000 0.208 82 L C 1.903 178.816 176.870 0.072 0.000 1.077 82 L CA 1.107 55.993 54.840 0.077 0.000 0.747 82 L CB -0.505 41.623 42.059 0.115 0.000 0.896 82 L HN 0.179 nan 8.230 nan 0.000 0.432 83 D N 0.172 120.646 120.400 0.124 0.000 2.123 83 D HA -0.191 4.460 4.640 0.019 0.000 0.196 83 D C 1.773 178.148 176.300 0.124 0.000 0.992 83 D CA 1.334 55.415 54.000 0.136 0.000 0.833 83 D CB -0.232 40.682 40.800 0.191 0.000 0.954 83 D HN 0.295 nan 8.370 nan 0.000 0.455 84 D N -0.383 120.103 120.400 0.144 0.000 2.178 84 D HA -0.079 4.572 4.640 0.019 0.000 0.202 84 D C 2.133 178.415 176.300 -0.029 0.000 0.974 84 D CA 0.400 54.463 54.000 0.105 0.000 0.841 84 D CB -0.497 40.395 40.800 0.153 0.000 0.953 84 D HN 0.222 nan 8.370 nan 0.000 0.478 85 C N 0.955 120.239 119.300 -0.027 0.000 2.435 85 C HA 0.016 4.487 4.460 0.019 0.000 0.279 85 C C 2.846 177.774 174.990 -0.102 0.000 1.321 85 C CA 0.592 59.563 59.018 -0.077 0.000 1.752 85 C CB -0.958 26.738 27.740 -0.074 0.000 1.959 85 C HN 0.357 nan 8.230 nan 0.000 0.500 86 A N 0.233 123.003 122.820 -0.083 0.000 1.972 86 A HA -0.095 4.236 4.320 0.019 0.000 0.219 86 A C 2.248 179.760 177.584 -0.120 0.000 1.169 86 A CA 2.005 53.981 52.037 -0.102 0.000 0.635 86 A CB -0.574 18.383 19.000 -0.072 0.000 0.810 86 A HN 0.383 nan 8.150 nan 0.000 0.446 87 V N 0.302 120.120 119.914 -0.160 0.000 2.307 87 V HA -0.265 3.866 4.120 0.019 0.000 0.245 87 V C 2.415 178.414 176.094 -0.158 0.000 1.045 87 V CA 2.004 64.178 62.300 -0.211 0.000 1.024 87 V CB -0.700 30.877 31.823 -0.411 0.000 0.651 87 V HN 0.594 nan 8.190 nan 0.000 0.449 88 I N 0.115 120.584 120.570 -0.168 0.000 2.163 88 I HA -0.321 3.860 4.170 0.019 0.000 0.243 88 I C 2.647 178.699 176.117 -0.109 0.000 1.085 88 I CA 2.011 63.220 61.300 -0.152 0.000 1.347 88 I CB -0.452 37.456 38.000 -0.153 0.000 1.044 88 I HN 0.367 nan 8.210 nan 0.000 0.408 89 Q N 1.146 120.880 119.800 -0.110 0.000 2.119 89 Q HA -0.244 4.107 4.340 0.019 0.000 0.201 89 Q C 2.130 178.088 176.000 -0.071 0.000 0.972 89 Q CA 1.689 57.432 55.803 -0.101 0.000 0.847 89 Q CB -0.360 28.294 28.738 -0.139 0.000 0.903 89 Q HN 0.489 nan 8.270 nan 0.000 0.433 90 Q N -0.609 119.152 119.800 -0.064 0.000 2.084 90 Q HA -0.126 4.225 4.340 0.019 0.000 0.202 90 Q C 1.876 177.881 176.000 0.008 0.000 0.978 90 Q CA 1.589 57.385 55.803 -0.012 0.000 0.844 90 Q CB -0.016 28.734 28.738 0.019 0.000 0.898 90 Q HN 0.520 nan 8.270 nan 0.000 0.426 91 L N -0.558 120.656 121.223 -0.015 0.000 2.162 91 L HA -0.033 4.318 4.340 0.019 0.000 0.205 91 L C 2.535 179.400 176.870 -0.009 0.000 1.086 91 L CA 1.442 56.278 54.840 -0.006 0.000 0.778 91 L CB -0.318 41.733 42.059 -0.013 0.000 0.928 91 L HN 0.351 nan 8.230 nan 0.000 0.446 92 T N -4.862 109.680 114.554 -0.020 0.000 3.040 92 T HA 0.054 4.415 4.350 0.019 0.000 0.252 92 T C 1.142 175.859 174.700 0.028 0.000 1.064 92 T CA -0.342 61.755 62.100 -0.004 0.000 1.110 92 T CB 0.191 69.049 68.868 -0.017 0.000 0.921 92 T HN 0.103 nan 8.240 nan 0.000 0.480 93 R N 0.419 120.930 120.500 0.019 0.000 3.863 93 R HA -0.163 4.188 4.340 0.019 0.000 0.313 93 R C 0.840 177.223 176.300 0.137 0.000 1.202 93 R CA 0.864 56.992 56.100 0.046 0.000 0.852 93 R CB -2.403 27.940 30.300 0.071 0.000 1.292 93 R HN 0.720 nan 8.270 nan 0.000 0.519 94 A N -0.464 122.426 122.820 0.117 0.000 2.469 94 A HA 0.154 4.485 4.320 0.019 0.000 0.245 94 A C 0.907 178.587 177.584 0.161 0.000 1.221 94 A CA 0.790 52.972 52.037 0.243 0.000 0.946 94 A CB 0.514 19.613 19.000 0.165 0.000 1.049 94 A HN 0.285 nan 8.150 nan 0.000 0.529 95 T N -2.328 112.226 114.554 0.000 0.000 3.532 95 T HA 0.336 4.697 4.350 0.019 0.000 0.241 95 T C -1.780 172.816 174.700 -0.174 0.000 1.238 95 T CA -1.007 61.052 62.100 -0.068 0.000 1.405 95 T CB 0.840 69.668 68.868 -0.067 0.000 0.971 95 T HN 0.111 nan 8.240 nan 0.000 0.640 96 P HA 0.014 nan 4.420 nan 0.000 0.226 96 P C -0.225 176.891 177.300 -0.306 0.000 1.153 96 P CA 0.483 63.365 63.100 -0.363 0.000 0.777 96 P CB 0.241 31.581 31.700 -0.600 0.000 0.794 97 N N -0.324 118.231 118.700 -0.242 0.000 2.319 97 N HA 0.325 5.076 4.740 0.019 0.000 0.305 97 N C -0.866 174.549 175.510 -0.158 0.000 1.103 97 N CA -0.624 52.297 53.050 -0.215 0.000 0.815 97 N CB 2.711 41.111 38.487 -0.145 0.000 1.288 97 N HN -0.246 nan 8.380 nan 0.000 0.493 98 V N 0.495 120.316 119.914 -0.156 0.000 2.513 98 V HA 0.349 4.480 4.120 0.019 0.000 0.299 98 V C 0.286 176.439 176.094 0.098 0.000 1.035 98 V CA -0.708 61.564 62.300 -0.047 0.000 0.889 98 V CB 1.786 33.593 31.823 -0.026 0.000 0.988 98 V HN 0.656 nan 8.190 nan 0.000 0.440 99 S N 4.355 120.078 115.700 0.037 0.000 2.438 99 S HA 0.652 5.133 4.470 0.019 0.000 0.293 99 S C -0.720 174.035 174.600 0.259 0.000 1.141 99 S CA -0.475 57.805 58.200 0.133 0.000 1.080 99 S CB 0.269 63.507 63.200 0.063 0.000 0.978 99 S HN 0.430 nan 8.310 nan 0.000 0.479 100 L N 4.984 126.394 121.223 0.312 0.000 2.360 100 L HA 0.547 4.898 4.340 0.019 0.000 0.271 100 L C 0.213 177.322 176.870 0.397 0.000 1.057 100 L CA -0.234 54.807 54.840 0.336 0.000 0.803 100 L CB 1.333 43.478 42.059 0.144 0.000 1.207 100 L HN 0.678 nan 8.230 nan 0.000 0.445 101 H N 3.714 123.011 119.070 0.379 0.000 2.609 101 H HA 0.487 5.054 4.556 0.019 0.000 0.344 101 H C -1.130 174.250 175.328 0.086 0.000 1.040 101 H CA -0.539 55.623 56.048 0.190 0.000 1.216 101 H CB 1.550 31.417 29.762 0.175 0.000 1.529 101 H HN 0.231 nan 8.280 nan 0.000 0.519 102 I N 6.849 127.488 120.570 0.115 0.000 2.412 102 I HA 0.192 4.373 4.170 0.019 0.000 0.296 102 I C -1.593 174.579 176.117 0.092 0.000 0.987 102 I CA -2.614 58.753 61.300 0.111 0.000 1.180 102 I CB 1.810 39.839 38.000 0.049 0.000 1.340 102 I HN 0.455 nan 8.210 nan 0.000 0.455 103 P HA -0.041 nan 4.420 nan 0.000 0.249 103 P C 1.117 178.564 177.300 0.244 0.000 1.229 103 P CA 0.481 63.660 63.100 0.133 0.000 0.788 103 P CB 0.212 31.979 31.700 0.112 0.000 1.072 104 W N 1.957 123.342 121.300 0.142 0.000 2.305 104 W HA -0.124 4.547 4.660 0.018 0.000 0.308 104 W C 1.032 177.626 176.519 0.125 0.000 1.226 104 W CA 1.172 58.596 57.345 0.131 0.000 1.253 104 W CB -1.714 27.841 29.460 0.159 0.000 1.146 104 W HN 0.119 nan 8.180 nan 0.000 0.507 105 D N -0.330 120.292 120.400 0.369 0.000 2.388 105 D HA 0.025 4.676 4.640 0.019 0.000 0.221 105 D C 0.294 176.649 176.300 0.091 0.000 1.133 105 D CA 0.054 54.176 54.000 0.203 0.000 0.831 105 D CB -0.265 40.657 40.800 0.203 0.000 0.962 105 D HN 0.052 nan 8.370 nan 0.000 0.502 106 K N 1.266 121.736 120.400 0.116 0.000 2.472 106 K HA 0.285 4.616 4.320 0.019 0.000 0.280 106 K C -0.450 176.181 176.600 0.051 0.000 1.028 106 K CA 0.096 56.425 56.287 0.070 0.000 1.045 106 K CB 0.339 32.893 32.500 0.090 0.000 0.902 106 K HN 0.076 nan 8.250 nan 0.000 0.478 107 A N 3.625 126.460 122.820 0.026 0.000 2.566 107 A HA 0.186 4.517 4.320 0.019 0.000 0.290 107 A C -1.652 175.974 177.584 0.070 0.000 1.071 107 A CA -0.919 51.157 52.037 0.065 0.000 0.658 107 A CB 0.706 19.697 19.000 -0.015 0.000 1.285 107 A HN 0.802 nan 8.150 nan 0.000 0.427 108 D N 1.034 121.518 120.400 0.140 0.000 2.451 108 D HA 0.287 4.938 4.640 0.019 0.000 0.254 108 D C -1.458 174.893 176.300 0.085 0.000 1.204 108 D CA -0.572 53.493 54.000 0.108 0.000 0.896 108 D CB 0.827 41.705 40.800 0.130 0.000 1.136 108 D HN 0.115 nan 8.370 nan 0.000 0.499 109 P HA -0.209 nan 4.420 nan 0.000 0.215 109 P C 0.899 178.212 177.300 0.023 0.000 1.157 109 P CA 1.664 64.754 63.100 -0.017 0.000 0.874 109 P CB 0.141 31.826 31.700 -0.026 0.000 0.790 110 K N -0.246 120.183 120.400 0.048 0.000 2.074 110 K HA -0.210 4.121 4.320 0.019 0.000 0.209 110 K C 2.100 178.765 176.600 0.108 0.000 1.048 110 K CA 1.594 57.921 56.287 0.066 0.000 0.926 110 K CB -0.428 32.104 32.500 0.053 0.000 0.713 110 K HN 0.292 nan 8.250 nan 0.000 0.444 111 E N 0.737 121.028 120.200 0.153 0.000 2.107 111 E HA -0.101 4.260 4.350 0.019 0.000 0.191 111 E C 2.063 178.883 176.600 0.366 0.000 0.982 111 E CA 0.616 57.158 56.400 0.238 0.000 0.809 111 E CB 0.003 29.872 29.700 0.283 0.000 0.756 111 E HN 0.217 nan 8.360 nan 0.000 0.459 112 L N 0.877 122.264 121.223 0.273 0.000 2.017 112 L HA -0.217 4.135 4.340 0.019 0.000 0.208 112 L C 2.518 179.564 176.870 0.294 0.000 1.073 112 L CA 1.063 56.012 54.840 0.181 0.000 0.745 112 L CB -0.366 41.617 42.059 -0.127 0.000 0.894 112 L HN 0.028 nan 8.230 nan 0.000 0.432 113 K N 0.682 121.206 120.400 0.207 0.000 2.057 113 K HA -0.145 4.186 4.320 0.019 0.000 0.207 113 K C 2.015 178.749 176.600 0.222 0.000 1.049 113 K CA 1.723 58.176 56.287 0.277 0.000 0.931 113 K CB -0.458 32.136 32.500 0.157 0.000 0.714 113 K HN 0.228 nan 8.250 nan 0.000 0.440 114 A N 0.614 123.539 122.820 0.174 0.000 1.877 114 A HA -0.165 4.166 4.320 0.019 0.000 0.216 114 A C 2.233 179.898 177.584 0.136 0.000 1.186 114 A CA 1.983 54.097 52.037 0.127 0.000 0.620 114 A CB -0.624 18.437 19.000 0.102 0.000 0.822 114 A HN 0.321 nan 8.150 nan 0.000 0.443 115 R N -0.025 120.602 120.500 0.211 0.000 2.081 115 R HA -0.041 4.310 4.340 0.019 0.000 0.235 115 R C 2.177 178.560 176.300 0.138 0.000 1.131 115 R CA 1.851 58.077 56.100 0.209 0.000 0.960 115 R CB -1.371 29.161 30.300 0.386 0.000 0.856 115 R HN 0.411 nan 8.270 nan 0.000 0.436 116 G N 0.329 109.229 108.800 0.165 0.000 2.421 116 G HA2 -0.253 3.718 3.960 0.019 0.000 0.216 116 G HA3 -0.253 3.718 3.960 0.019 0.000 0.216 116 G C 1.021 175.880 174.900 -0.069 0.000 1.171 116 G CA 1.013 46.100 45.100 -0.021 0.000 0.775 116 G HN 0.346 nan 8.290 nan 0.000 0.543 117 D N 1.165 121.564 120.400 -0.002 0.000 2.123 117 D HA -0.088 4.564 4.640 0.019 0.000 0.196 117 D C 2.812 179.085 176.300 -0.044 0.000 0.992 117 D CA 1.299 55.282 54.000 -0.028 0.000 0.833 117 D CB -0.430 40.376 40.800 0.011 0.000 0.954 117 D HN 0.326 nan 8.370 nan 0.000 0.455 118 A N 0.590 123.400 122.820 -0.018 0.000 1.972 118 A HA -0.080 4.251 4.320 0.019 0.000 0.219 118 A C 2.285 179.823 177.584 -0.077 0.000 1.169 118 A CA 0.811 52.828 52.037 -0.033 0.000 0.635 118 A CB -0.547 18.453 19.000 0.000 0.000 0.810 118 A HN 0.215 nan 8.150 nan 0.000 0.446 119 L N -1.457 119.720 121.223 -0.078 0.000 2.567 119 L HA 0.218 4.569 4.340 0.019 0.000 0.225 119 L C 1.522 178.289 176.870 -0.171 0.000 1.119 119 L CA 0.476 55.245 54.840 -0.118 0.000 0.871 119 L CB -0.128 41.885 42.059 -0.078 0.000 1.036 119 L HN 0.559 nan 8.230 nan 0.000 0.459 120 G N 1.059 109.760 108.800 -0.165 0.000 2.182 120 G HA2 -0.254 3.717 3.960 0.019 0.000 0.248 120 G HA3 -0.254 3.717 3.960 0.019 0.000 0.248 120 G C -0.134 174.635 174.900 -0.218 0.000 1.042 120 G CA -0.122 44.867 45.100 -0.185 0.000 0.775 120 G HN 0.218 nan 8.290 nan 0.000 0.501 121 L N -0.152 120.922 121.223 -0.248 0.000 2.346 121 L HA 0.795 5.146 4.340 0.019 0.000 0.274 121 L C 1.031 177.609 176.870 -0.487 0.000 1.007 121 L CA -0.523 54.111 54.840 -0.344 0.000 0.818 121 L CB 1.933 43.784 42.059 -0.346 0.000 1.284 121 L HN 0.226 nan 8.230 nan 0.000 0.424 122 G N 0.766 109.267 108.800 -0.497 0.000 2.705 122 G HA2 0.711 4.683 3.960 0.019 0.000 0.299 122 G HA3 0.711 4.683 3.960 0.019 0.000 0.299 122 G C -1.481 172.988 174.900 -0.719 0.000 1.315 122 G CA -0.367 44.428 45.100 -0.508 0.000 1.045 122 G HN 0.261 nan 8.290 nan 0.000 0.517 123 F N -0.103 119.806 119.950 -0.068 0.000 2.518 123 F HA 0.372 4.910 4.527 0.019 0.000 0.323 123 F C 0.366 176.121 175.800 -0.076 0.000 1.129 123 F CA -0.931 57.035 58.000 -0.058 0.000 0.920 123 F CB 2.174 41.149 39.000 -0.041 0.000 1.160 123 F HN 0.356 nan 8.300 nan 0.000 0.440 124 D N 1.143 121.614 120.400 0.118 0.000 2.475 124 D HA 0.521 5.172 4.640 0.019 0.000 0.286 124 D C -0.057 176.263 176.300 0.033 0.000 1.205 124 D CA -0.230 53.799 54.000 0.048 0.000 1.092 124 D CB 1.298 42.133 40.800 0.059 0.000 1.147 124 D HN 0.610 nan 8.370 nan 0.000 0.575 125 A N 0.567 123.417 122.820 0.049 0.000 2.531 125 A HA 0.148 4.479 4.320 0.019 0.000 0.236 125 A C 0.587 178.215 177.584 0.072 0.000 1.062 125 A CA 0.149 52.203 52.037 0.028 0.000 0.760 125 A CB 0.056 19.172 19.000 0.192 0.000 0.995 125 A HN 0.414 nan 8.150 nan 0.000 0.501 126 M N 2.000 121.611 119.600 0.019 0.000 2.247 126 M HA 0.229 4.720 4.480 0.019 0.000 0.326 126 M C -0.010 176.318 176.300 0.048 0.000 1.134 126 M CA 0.112 55.445 55.300 0.055 0.000 1.136 126 M CB 0.343 32.993 32.600 0.084 0.000 1.454 126 M HN 0.674 nan 8.290 nan 0.000 0.467 127 N N 0.891 119.556 118.700 -0.059 0.000 2.399 127 N HA 0.300 5.051 4.740 0.019 0.000 0.284 127 N C -0.921 174.362 175.510 -0.379 0.000 1.025 127 N CA -0.226 52.668 53.050 -0.260 0.000 0.885 127 N CB 1.851 39.992 38.487 -0.576 0.000 1.339 127 N HN 0.627 nan 8.380 nan 0.000 0.487 128 S N 1.517 117.125 115.700 -0.153 0.000 2.652 128 S HA 0.345 4.826 4.470 0.019 0.000 0.270 128 S C 0.014 174.649 174.600 0.058 0.000 1.243 128 S CA -0.683 57.526 58.200 0.015 0.000 0.999 128 S CB 1.533 64.772 63.200 0.065 0.000 0.973 128 S HN 0.558 nan 8.310 nan 0.000 0.544 129 N N 0.720 119.461 118.700 0.069 0.000 2.617 129 N HA 0.244 4.995 4.740 0.019 0.000 0.263 129 N C -0.613 174.441 175.510 -0.760 0.000 1.074 129 N CA -0.392 52.329 53.050 -0.548 0.000 0.841 129 N CB 1.239 39.245 38.487 -0.802 0.000 1.221 129 N HN 0.843 nan 8.380 nan 0.000 0.529 130 T N 0.035 114.201 114.554 -0.647 0.000 3.331 130 T HA 0.227 4.588 4.350 0.019 0.000 0.282 130 T C 0.402 174.733 174.700 -0.615 0.000 1.010 130 T CA -0.502 61.079 62.100 -0.865 0.000 0.928 130 T CB -1.213 67.046 68.868 -1.016 0.000 1.154 130 T HN 0.262 nan 8.240 nan 0.000 0.516 131 F N 0.363 120.169 119.950 -0.241 0.000 2.661 131 F HA 0.655 5.193 4.527 0.019 0.000 0.306 131 F C 0.130 175.939 175.800 0.014 0.000 1.094 131 F CA -1.118 56.789 58.000 -0.156 0.000 1.254 131 F CB -0.225 38.649 39.000 -0.210 0.000 1.040 131 F HN 0.306 nan 8.300 nan 0.000 0.562 132 S N -1.271 114.399 115.700 -0.050 0.000 2.565 132 S HA 0.506 4.988 4.470 0.019 0.000 0.269 132 S C -1.729 172.902 174.600 0.051 0.000 1.153 132 S CA -0.945 57.290 58.200 0.059 0.000 0.835 132 S CB 2.162 65.404 63.200 0.071 0.000 1.122 132 S HN 0.010 nan 8.310 nan 0.000 0.462 133 D N 1.040 121.453 120.400 0.022 0.000 2.175 133 D HA 0.716 5.367 4.640 0.019 0.000 0.248 133 D C -0.084 176.191 176.300 -0.042 0.000 1.047 133 D CA -0.083 53.880 54.000 -0.061 0.000 0.883 133 D CB 1.775 42.515 40.800 -0.100 0.000 1.180 133 D HN 0.868 nan 8.370 nan 0.000 0.438 134 A N 2.233 125.012 122.820 -0.069 0.000 2.306 134 A HA 0.648 4.979 4.320 0.019 0.000 0.330 134 A C -2.405 175.156 177.584 -0.040 0.000 1.146 134 A CA -1.448 50.571 52.037 -0.030 0.000 0.827 134 A CB 0.431 19.415 19.000 -0.026 0.000 1.178 134 A HN 0.318 nan 8.150 nan 0.000 0.490 135 P HA 0.263 nan 4.420 nan 0.000 0.264 135 P C 0.968 178.247 177.300 -0.035 0.000 1.183 135 P CA 1.981 65.068 63.100 -0.021 0.000 0.763 135 P CB 0.557 32.256 31.700 -0.002 0.000 0.807 136 G N 1.539 110.310 108.800 -0.049 0.000 2.162 136 G HA2 -0.312 3.659 3.960 0.019 0.000 0.260 136 G HA3 -0.312 3.659 3.960 0.019 0.000 0.260 136 G C 0.261 175.108 174.900 -0.089 0.000 0.976 136 G CA -0.046 45.019 45.100 -0.059 0.000 0.655 136 G HN 0.669 nan 8.290 nan 0.000 0.533 137 Q N 0.098 119.831 119.800 -0.111 0.000 2.289 137 Q HA 0.583 4.934 4.340 0.019 0.000 0.273 137 Q C 1.782 177.655 176.000 -0.211 0.000 1.029 137 Q CA 0.623 56.330 55.803 -0.161 0.000 0.896 137 Q CB 0.710 29.323 28.738 -0.209 0.000 1.182 137 Q HN 0.711 nan 8.270 nan 0.000 0.385 138 A N 5.247 127.916 122.820 -0.252 0.000 1.877 138 A HA -0.121 4.211 4.320 0.019 0.000 0.216 138 A C 0.256 177.470 177.584 -0.618 0.000 1.186 138 A CA 1.200 52.981 52.037 -0.427 0.000 0.620 138 A CB -0.155 18.555 19.000 -0.482 0.000 0.822 138 A HN 0.821 nan 8.150 nan 0.000 0.443 139 H N -0.826 118.119 119.070 -0.210 0.000 2.529 139 H HA 0.441 5.008 4.556 0.019 0.000 0.348 139 H C -0.635 174.445 175.328 -0.414 0.000 1.079 139 H CA -0.471 55.426 56.048 -0.252 0.000 1.198 139 H CB 1.476 31.094 29.762 -0.239 0.000 1.521 139 H HN 0.272 nan 8.280 nan 0.000 0.514 140 S N 1.785 117.371 115.700 -0.190 0.000 2.580 140 S HA 0.097 4.578 4.470 0.019 0.000 0.274 140 S C 0.053 174.544 174.600 -0.182 0.000 1.329 140 S CA -0.403 57.651 58.200 -0.244 0.000 1.036 140 S CB 0.275 63.418 63.200 -0.094 0.000 0.919 140 S HN 0.451 nan 8.310 nan 0.000 0.515 141 Y N 2.644 122.944 120.300 0.001 0.000 2.532 141 Y HA 0.314 4.875 4.550 0.019 0.000 0.283 141 Y C 1.776 177.686 175.900 0.017 0.000 1.181 141 Y CA -0.530 57.592 58.100 0.036 0.000 1.256 141 Y CB -0.481 37.964 38.460 -0.024 0.000 1.112 141 Y HN 0.730 nan 8.280 nan 0.000 0.521 142 K N -0.003 120.420 120.400 0.039 0.000 2.074 142 K HA -0.220 4.112 4.320 0.019 0.000 0.209 142 K C 0.287 176.727 176.600 -0.267 0.000 1.048 142 K CA 1.910 58.075 56.287 -0.205 0.000 0.926 142 K CB -0.155 32.060 32.500 -0.475 0.000 0.713 142 K HN 0.319 nan 8.250 nan 0.000 0.444 143 Y N -0.298 120.101 120.300 0.166 0.000 2.571 143 Y HA 0.341 4.902 4.550 0.019 0.000 0.275 143 Y C 0.634 176.535 175.900 0.003 0.000 1.179 143 Y CA 0.154 58.276 58.100 0.037 0.000 1.242 143 Y CB 1.089 39.497 38.460 -0.086 0.000 1.126 143 Y HN 0.296 nan 8.280 nan 0.000 0.524 144 G N -0.660 108.299 108.800 0.265 0.000 2.354 144 G HA2 0.218 4.189 3.960 0.019 0.000 0.582 144 G HA3 0.218 4.189 3.960 0.019 0.000 0.582 144 G C -0.008 175.098 174.900 0.343 0.000 1.316 144 G CA -0.221 45.010 45.100 0.217 0.000 0.995 144 G HN 0.280 nan 8.290 nan 0.000 0.573 145 S N -1.325 114.466 115.700 0.151 0.000 4.163 145 S HA 0.336 4.817 4.470 0.019 0.000 0.164 145 S C 2.003 176.636 174.600 0.054 0.000 0.896 145 S CA 0.608 58.815 58.200 0.013 0.000 1.125 145 S CB -0.227 62.648 63.200 -0.540 0.000 1.698 145 S HN 0.886 nan 8.310 nan 0.000 0.817 146 L N 2.824 124.040 121.223 -0.010 0.000 2.275 146 L HA 0.084 4.435 4.340 0.019 0.000 0.215 146 L C 2.090 179.014 176.870 0.090 0.000 1.119 146 L CA 1.447 56.293 54.840 0.010 0.000 0.790 146 L CB -0.420 41.609 42.059 -0.051 0.000 0.919 146 L HN 0.709 nan 8.230 nan 0.000 0.443 147 S N -3.163 112.634 115.700 0.161 0.000 2.650 147 S HA 0.054 4.535 4.470 0.019 0.000 0.240 147 S C 0.643 175.337 174.600 0.157 0.000 1.007 147 S CA -0.622 57.684 58.200 0.176 0.000 0.984 147 S CB -0.300 63.029 63.200 0.215 0.000 0.910 147 S HN 0.292 nan 8.310 nan 0.000 0.509 148 H N 2.799 121.920 119.070 0.084 0.000 2.871 148 H HA 0.067 4.634 4.556 0.019 0.000 0.355 148 H C 1.641 177.005 175.328 0.059 0.000 1.092 148 H CA 1.662 57.766 56.048 0.093 0.000 1.420 148 H CB 1.512 31.343 29.762 0.115 0.000 1.400 148 H HN 0.458 nan 8.280 nan 0.000 0.604 149 T N 1.144 115.728 114.554 0.049 0.000 2.867 149 T HA -0.171 4.190 4.350 0.019 0.000 0.268 149 T C 0.963 175.784 174.700 0.201 0.000 1.057 149 T CA 0.693 62.847 62.100 0.091 0.000 1.136 149 T CB -0.086 68.769 68.868 -0.021 0.000 0.874 149 T HN 0.434 nan 8.240 nan 0.000 0.466 150 N N 1.174 120.157 118.700 0.471 0.000 2.430 150 N HA 0.518 5.269 4.740 0.019 0.000 0.265 150 N C 1.119 176.634 175.510 0.008 0.000 1.100 150 N CA 0.374 53.519 53.050 0.158 0.000 0.961 150 N CB 1.086 39.591 38.487 0.031 0.000 1.075 150 N HN 0.236 nan 8.380 nan 0.000 0.478 151 A N 4.185 126.990 122.820 -0.025 0.000 1.892 151 A HA -0.173 4.158 4.320 0.019 0.000 0.218 151 A C 2.104 179.616 177.584 -0.120 0.000 1.188 151 A CA 2.090 54.097 52.037 -0.051 0.000 0.631 151 A CB -1.288 17.688 19.000 -0.040 0.000 0.822 151 A HN 0.789 nan 8.150 nan 0.000 0.447 152 A N -1.209 121.483 122.820 -0.213 0.000 1.940 152 A HA -0.104 4.227 4.320 0.019 0.000 0.219 152 A C 2.298 179.612 177.584 -0.449 0.000 1.176 152 A CA 2.365 54.194 52.037 -0.346 0.000 0.631 152 A CB -1.267 17.419 19.000 -0.523 0.000 0.814 152 A HN 0.463 nan 8.150 nan 0.000 0.446 153 T N -0.384 113.864 114.554 -0.510 0.000 2.777 153 T HA -0.117 4.244 4.350 0.019 0.000 0.266 153 T C 2.048 176.708 174.700 -0.067 0.000 1.040 153 T CA 1.430 63.319 62.100 -0.352 0.000 1.141 153 T CB -0.218 68.275 68.868 -0.625 0.000 0.868 153 T HN 0.520 nan 8.240 nan 0.000 0.444 154 R N 1.058 121.527 120.500 -0.050 0.000 2.075 154 R HA 0.058 4.409 4.340 0.019 0.000 0.232 154 R C 2.875 179.173 176.300 -0.004 0.000 1.126 154 R CA 1.239 57.345 56.100 0.010 0.000 0.963 154 R CB -0.540 29.767 30.300 0.012 0.000 0.858 154 R HN 0.359 nan 8.270 nan 0.000 0.435 155 A N 1.302 124.104 122.820 -0.031 0.000 1.908 155 A HA -0.271 4.060 4.320 0.019 0.000 0.218 155 A C 2.139 179.733 177.584 0.017 0.000 1.181 155 A CA 1.600 53.625 52.037 -0.019 0.000 0.627 155 A CB -0.576 18.404 19.000 -0.034 0.000 0.818 155 A HN 0.415 nan 8.150 nan 0.000 0.445 156 Q N -0.626 119.200 119.800 0.044 0.000 2.119 156 Q HA -0.100 4.251 4.340 0.019 0.000 0.201 156 Q C 2.150 178.247 176.000 0.162 0.000 0.972 156 Q CA 1.496 57.365 55.803 0.111 0.000 0.847 156 Q CB -0.331 28.496 28.738 0.149 0.000 0.903 156 Q HN 0.599 nan 8.270 nan 0.000 0.433 157 A N 0.037 122.952 122.820 0.159 0.000 1.898 157 A HA -0.112 4.219 4.320 0.019 0.000 0.216 157 A C 2.203 179.819 177.584 0.053 0.000 1.181 157 A CA 1.433 53.520 52.037 0.084 0.000 0.620 157 A CB -0.699 18.270 19.000 -0.051 0.000 0.819 157 A HN 0.297 nan 8.150 nan 0.000 0.442 158 V N 0.084 120.008 119.914 0.015 0.000 2.295 158 V HA -0.244 3.887 4.120 0.019 0.000 0.246 158 V C 2.620 178.707 176.094 -0.011 0.000 1.049 158 V CA 2.439 64.727 62.300 -0.019 0.000 1.024 158 V CB -0.712 31.088 31.823 -0.038 0.000 0.648 158 V HN 0.708 nan 8.190 nan 0.000 0.447 159 E N -0.059 120.150 120.200 0.015 0.000 2.118 159 E HA -0.268 4.093 4.350 0.019 0.000 0.195 159 E C 2.229 178.836 176.600 0.013 0.000 0.992 159 E CA 1.710 58.114 56.400 0.006 0.000 0.804 159 E CB -0.497 29.218 29.700 0.025 0.000 0.741 159 E HN 0.756 nan 8.360 nan 0.000 0.458 160 H N 0.018 119.079 119.070 -0.017 0.000 2.387 160 H HA -0.053 4.514 4.556 0.019 0.000 0.299 160 H C 1.570 176.869 175.328 -0.049 0.000 1.090 160 H CA 1.551 57.586 56.048 -0.022 0.000 1.332 160 H CB 0.080 29.842 29.762 -0.001 0.000 1.386 160 H HN 0.200 nan 8.280 nan 0.000 0.516 161 N N 0.641 119.248 118.700 -0.154 0.000 2.188 161 N HA -0.096 4.656 4.740 0.019 0.000 0.184 161 N C 2.295 177.685 175.510 -0.200 0.000 1.018 161 N CA 0.740 53.673 53.050 -0.195 0.000 0.858 161 N CB 0.070 38.508 38.487 -0.081 0.000 0.989 161 N HN 0.390 nan 8.380 nan 0.000 0.426 162 L N 1.347 122.472 121.223 -0.163 0.000 2.093 162 L HA -0.096 4.255 4.340 0.019 0.000 0.208 162 L C 2.147 178.904 176.870 -0.188 0.000 1.085 162 L CA 1.010 55.746 54.840 -0.173 0.000 0.755 162 L CB -0.315 41.664 42.059 -0.134 0.000 0.904 162 L HN 0.133 nan 8.230 nan 0.000 0.435 163 E N -0.574 119.517 120.200 -0.182 0.000 2.153 163 E HA -0.212 4.149 4.350 0.019 0.000 0.194 163 E C 2.328 178.816 176.600 -0.187 0.000 0.988 163 E CA 1.376 57.677 56.400 -0.165 0.000 0.811 163 E CB -0.110 29.508 29.700 -0.137 0.000 0.746 163 E HN 0.545 nan 8.360 nan 0.000 0.466 164 C N 0.508 119.652 119.300 -0.259 0.000 2.425 164 C HA -0.099 4.372 4.460 0.019 0.000 0.277 164 C C 2.556 177.504 174.990 -0.069 0.000 1.280 164 C CA 0.300 59.208 59.018 -0.183 0.000 1.744 164 C CB -0.736 26.870 27.740 -0.224 0.000 1.989 164 C HN 0.405 nan 8.230 nan 0.000 0.491 165 I N 0.620 121.100 120.570 -0.150 0.000 2.226 165 I HA -0.170 4.012 4.170 0.019 0.000 0.245 165 I C 2.606 178.553 176.117 -0.284 0.000 1.100 165 I CA 1.309 62.411 61.300 -0.329 0.000 1.374 165 I CB -0.546 37.111 38.000 -0.572 0.000 1.057 165 I HN 0.324 nan 8.210 nan 0.000 0.413 166 E N 0.882 120.958 120.200 -0.206 0.000 2.077 166 E HA -0.168 4.194 4.350 0.019 0.000 0.193 166 E C 2.276 178.838 176.600 -0.062 0.000 0.989 166 E CA 1.278 57.592 56.400 -0.143 0.000 0.800 166 E CB -0.212 29.415 29.700 -0.121 0.000 0.746 166 E HN 0.525 nan 8.360 nan 0.000 0.452 167 I N 0.459 121.001 120.570 -0.046 0.000 2.179 167 I HA -0.191 3.991 4.170 0.019 0.000 0.242 167 I C 2.465 178.587 176.117 0.009 0.000 1.088 167 I CA 1.281 62.562 61.300 -0.032 0.000 1.357 167 I CB -0.591 37.379 38.000 -0.051 0.000 1.051 167 I HN 0.118 nan 8.210 nan 0.000 0.409 168 G N 0.907 109.780 108.800 0.122 0.000 2.440 168 G HA2 -0.233 3.738 3.960 0.019 0.000 0.218 168 G HA3 -0.233 3.738 3.960 0.019 0.000 0.218 168 G C 1.726 176.826 174.900 0.333 0.000 1.154 168 G CA 0.536 45.794 45.100 0.263 0.000 0.767 168 G HN 0.315 nan 8.290 nan 0.000 0.552 169 K N 0.541 121.149 120.400 0.346 0.000 2.147 169 K HA 0.040 4.371 4.320 0.019 0.000 0.205 169 K C 2.844 179.519 176.600 0.124 0.000 1.049 169 K CA 0.887 57.330 56.287 0.260 0.000 0.936 169 K CB -0.139 32.392 32.500 0.051 0.000 0.722 169 K HN 0.300 nan 8.250 nan 0.000 0.446 170 A N 1.697 124.553 122.820 0.061 0.000 1.968 170 A HA -0.071 4.260 4.320 0.019 0.000 0.217 170 A C 1.996 179.597 177.584 0.029 0.000 1.169 170 A CA 0.988 53.042 52.037 0.029 0.000 0.638 170 A CB -0.461 18.539 19.000 0.000 0.000 0.812 170 A HN 0.442 nan 8.150 nan 0.000 0.446 171 I N -5.552 115.018 120.570 0.001 0.000 3.968 171 I HA 0.488 4.669 4.170 0.019 0.000 0.328 171 I C 1.136 177.335 176.117 0.137 0.000 1.290 171 I CA 0.690 61.986 61.300 -0.007 0.000 1.163 171 I CB 0.287 38.068 38.000 -0.365 0.000 1.024 171 I HN 0.334 nan 8.210 nan 0.000 0.413 172 G N 1.566 110.433 108.800 0.112 0.000 2.148 172 G HA2 -0.245 3.726 3.960 0.019 0.000 0.203 172 G HA3 -0.245 3.726 3.960 0.019 0.000 0.203 172 G C 0.244 175.165 174.900 0.035 0.000 0.993 172 G CA 0.200 45.362 45.100 0.104 0.000 0.661 172 G HN 0.527 nan 8.290 nan 0.000 0.518 173 S N -0.280 115.413 115.700 -0.012 0.000 2.592 173 S HA 0.629 5.110 4.470 0.019 0.000 0.271 173 S C 0.887 175.061 174.600 -0.710 0.000 1.326 173 S CA 0.060 58.111 58.200 -0.248 0.000 1.024 173 S CB 0.757 63.819 63.200 -0.231 0.000 0.921 173 S HN 0.185 nan 8.310 nan 0.000 0.527 174 K N 1.733 121.550 120.400 -0.970 0.000 2.592 174 K HA 0.493 4.824 4.320 0.019 0.000 0.203 174 K C -0.552 175.194 176.600 -1.423 0.000 1.070 174 K CA -0.060 55.381 56.287 -1.411 0.000 1.062 174 K CB 0.639 32.789 32.500 -0.584 0.000 0.814 174 K HN 0.599 nan 8.250 nan 0.000 0.502 175 A N 0.638 122.583 122.820 -1.458 0.000 2.597 175 A HA 0.637 4.968 4.320 0.019 0.000 0.292 175 A C -2.143 175.250 177.584 -0.319 0.000 1.057 175 A CA -0.742 50.881 52.037 -0.690 0.000 0.674 175 A CB 1.218 19.891 19.000 -0.546 0.000 1.278 175 A HN 0.099 nan 8.150 nan 0.000 0.416 176 L N 0.847 122.047 121.223 -0.039 0.000 2.356 176 L HA 0.787 5.139 4.340 0.019 0.000 0.277 176 L C -0.461 176.457 176.870 0.079 0.000 0.996 176 L CA 0.273 55.177 54.840 0.107 0.000 0.822 176 L CB 2.022 44.195 42.059 0.191 0.000 1.256 176 L HN 0.666 nan 8.230 nan 0.000 0.413 177 T N 4.525 119.173 114.554 0.156 0.000 2.767 177 T HA 0.599 4.960 4.350 0.019 0.000 0.284 177 T C -0.674 174.133 174.700 0.178 0.000 0.973 177 T CA -0.314 61.928 62.100 0.235 0.000 0.996 177 T CB 1.264 70.302 68.868 0.284 0.000 0.927 177 T HN 0.361 nan 8.240 nan 0.000 0.456 178 V N 4.422 124.456 119.914 0.200 0.000 2.350 178 V HA 0.479 4.610 4.120 0.019 0.000 0.285 178 V C -0.946 175.305 176.094 0.262 0.000 1.014 178 V CA -0.962 61.450 62.300 0.187 0.000 0.831 178 V CB 0.992 32.898 31.823 0.138 0.000 1.000 178 V HN 0.916 nan 8.190 nan 0.000 0.433 179 W N 8.390 129.766 121.300 0.127 0.000 2.619 179 W HA 0.810 5.481 4.660 0.019 0.000 0.327 179 W C -0.850 175.759 176.519 0.149 0.000 1.027 179 W CA -0.888 56.525 57.345 0.113 0.000 1.233 179 W CB 1.328 30.838 29.460 0.084 0.000 1.370 179 W HN 0.605 nan 8.180 nan 0.000 0.453 180 I N 2.779 122.763 120.570 -0.976 0.000 3.002 180 I HA 0.815 4.997 4.170 0.019 0.000 0.310 180 I C 0.796 176.147 176.117 -1.275 0.000 1.087 180 I CA -1.172 59.590 61.300 -0.898 0.000 1.017 180 I CB 2.155 39.953 38.000 -0.338 0.000 1.226 180 I HN 0.642 nan 8.210 nan 0.000 0.443 181 G N 1.230 109.526 108.800 -0.841 0.000 3.042 181 G HA2 0.042 4.013 3.960 0.019 0.000 0.212 181 G HA3 0.042 4.013 3.960 0.019 0.000 0.212 181 G C 0.013 174.737 174.900 -0.293 0.000 1.166 181 G CA -0.126 44.641 45.100 -0.555 0.000 0.767 181 G HN 0.735 nan 8.290 nan 0.000 0.546 182 D N 0.916 121.172 120.400 -0.240 0.000 2.752 182 D HA 0.392 5.043 4.640 0.019 0.000 0.225 182 D C 0.941 177.181 176.300 -0.100 0.000 1.104 182 D CA 1.832 55.765 54.000 -0.112 0.000 0.832 182 D CB 0.727 41.493 40.800 -0.057 0.000 1.161 182 D HN 0.374 nan 8.370 nan 0.000 0.505 183 G N 0.151 108.928 108.800 -0.038 0.000 2.392 183 G HA2 0.524 4.495 3.960 0.019 0.000 0.260 183 G HA3 0.524 4.495 3.960 0.019 0.000 0.260 183 G C -1.353 173.583 174.900 0.060 0.000 1.226 183 G CA -0.139 44.955 45.100 -0.011 0.000 0.913 183 G HN 0.777 nan 8.290 nan 0.000 0.483 184 S N -1.262 114.499 115.700 0.102 0.000 2.588 184 S HA 0.649 5.130 4.470 0.019 0.000 0.275 184 S C -0.416 174.281 174.600 0.162 0.000 1.130 184 S CA -0.695 57.613 58.200 0.179 0.000 0.855 184 S CB 2.200 65.576 63.200 0.295 0.000 1.116 184 S HN 0.409 nan 8.310 nan 0.000 0.472 185 N N -0.480 118.267 118.700 0.078 0.000 2.220 185 N HA 0.421 5.172 4.740 0.019 0.000 0.195 185 N C -1.448 173.738 175.510 -0.541 0.000 1.123 185 N CA 0.219 53.151 53.050 -0.197 0.000 0.874 185 N CB 0.059 38.312 38.487 -0.390 0.000 0.995 185 N HN 0.579 nan 8.380 nan 0.000 0.498 186 F N -0.001 120.027 119.950 0.130 0.000 2.578 186 F HA 0.454 4.993 4.527 0.019 0.000 0.311 186 F C -2.285 173.326 175.800 -0.315 0.000 1.094 186 F CA -2.531 55.406 58.000 -0.105 0.000 0.923 186 F CB 1.820 40.789 39.000 -0.052 0.000 1.230 186 F HN -0.298 nan 8.300 nan 0.000 0.450 187 P HA 0.235 nan 4.420 nan 0.000 0.268 187 P C 0.682 177.886 177.300 -0.161 0.000 1.204 187 P CA 1.159 63.918 63.100 -0.568 0.000 0.768 187 P CB 0.733 32.120 31.700 -0.521 0.000 0.842 188 G N 2.402 111.129 108.800 -0.122 0.000 2.268 188 G HA2 -0.356 3.616 3.960 0.019 0.000 0.240 188 G HA3 -0.356 3.616 3.960 0.019 0.000 0.240 188 G C 1.254 176.119 174.900 -0.058 0.000 1.010 188 G CA 0.500 45.535 45.100 -0.108 0.000 0.618 188 G HN 0.565 nan 8.290 nan 0.000 0.516 189 Q N 0.597 120.410 119.800 0.021 0.000 2.096 189 Q HA 0.075 4.426 4.340 0.019 0.000 0.204 189 Q C 0.960 176.972 176.000 0.021 0.000 0.982 189 Q CA 1.830 57.667 55.803 0.058 0.000 0.850 189 Q CB -0.085 28.765 28.738 0.186 0.000 0.901 189 Q HN 0.561 nan 8.270 nan 0.000 0.422 190 S N 0.747 116.465 115.700 0.031 0.000 2.532 190 S HA 0.287 4.768 4.470 0.019 0.000 0.301 190 S C -0.832 173.708 174.600 -0.099 0.000 1.083 190 S CA -0.915 57.294 58.200 0.015 0.000 1.025 190 S CB 1.535 64.806 63.200 0.118 0.000 1.056 190 S HN 0.336 nan 8.310 nan 0.000 0.494 191 N N 1.953 120.616 118.700 -0.062 0.000 2.462 191 N HA 0.132 4.883 4.740 0.019 0.000 0.242 191 N C 0.364 175.894 175.510 0.033 0.000 1.010 191 N CA -0.317 52.671 53.050 -0.103 0.000 0.939 191 N CB 0.048 38.511 38.487 -0.040 0.000 1.127 191 N HN 0.383 nan 8.380 nan 0.000 0.509 192 F N 2.202 122.179 119.950 0.044 0.000 2.063 192 F HA -0.239 4.300 4.527 0.019 0.000 0.298 192 F C 2.446 178.279 175.800 0.055 0.000 1.105 192 F CA 1.376 59.390 58.000 0.023 0.000 1.215 192 F CB -1.309 37.686 39.000 -0.010 0.000 0.972 192 F HN 0.420 nan 8.300 nan 0.000 0.483 193 T N -0.071 114.641 114.554 0.264 0.000 2.737 193 T HA -0.133 4.228 4.350 0.019 0.000 0.265 193 T C 2.098 176.909 174.700 0.185 0.000 1.038 193 T CA 1.354 63.584 62.100 0.217 0.000 1.144 193 T CB -0.221 68.737 68.868 0.150 0.000 0.866 193 T HN 0.188 nan 8.240 nan 0.000 0.434 194 R N 1.072 121.646 120.500 0.123 0.000 2.081 194 R HA 0.024 4.375 4.340 0.019 0.000 0.235 194 R C 2.826 179.195 176.300 0.116 0.000 1.131 194 R CA 1.269 57.422 56.100 0.089 0.000 0.960 194 R CB -0.511 29.819 30.300 0.050 0.000 0.856 194 R HN 0.354 nan 8.270 nan 0.000 0.436 195 A N 1.009 123.916 122.820 0.146 0.000 1.902 195 A HA -0.202 4.129 4.320 0.019 0.000 0.217 195 A C 1.944 179.674 177.584 0.243 0.000 1.181 195 A CA 1.171 53.306 52.037 0.163 0.000 0.623 195 A CB -0.618 18.477 19.000 0.159 0.000 0.818 195 A HN 0.327 nan 8.150 nan 0.000 0.443 196 F N 1.151 121.141 119.950 0.066 0.000 2.186 196 F HA -0.090 4.448 4.527 0.018 0.000 0.299 196 F C 2.124 177.989 175.800 0.108 0.000 1.090 196 F CA 1.698 59.733 58.000 0.060 0.000 1.307 196 F CB -0.506 38.500 39.000 0.009 0.000 1.019 196 F HN 0.410 nan 8.300 nan 0.000 0.489 197 E N -0.213 120.018 120.200 0.051 0.000 2.077 197 E HA -0.215 4.146 4.350 0.019 0.000 0.193 197 E C 2.331 178.905 176.600 -0.043 0.000 0.989 197 E CA 1.208 57.563 56.400 -0.075 0.000 0.800 197 E CB -0.199 29.490 29.700 -0.017 0.000 0.746 197 E HN 0.426 nan 8.360 nan 0.000 0.452 198 R N -0.023 120.500 120.500 0.039 0.000 2.081 198 R HA -0.165 4.186 4.340 0.019 0.000 0.235 198 R C 2.366 178.695 176.300 0.047 0.000 1.131 198 R CA 1.435 57.559 56.100 0.041 0.000 0.960 198 R CB -0.485 29.860 30.300 0.075 0.000 0.856 198 R HN 0.279 nan 8.270 nan 0.000 0.436 199 Y N 1.736 122.025 120.300 -0.019 0.000 2.128 199 Y HA -0.201 4.360 4.550 0.018 0.000 0.284 199 Y C 1.985 177.830 175.900 -0.091 0.000 1.154 199 Y CA 1.503 59.595 58.100 -0.014 0.000 1.149 199 Y CB -0.288 38.225 38.460 0.088 0.000 0.976 199 Y HN -0.058 nan 8.280 nan 0.000 0.505 200 L N -0.815 120.357 121.223 -0.085 0.000 2.083 200 L HA -0.225 4.126 4.340 0.019 0.000 0.209 200 L C 2.828 179.565 176.870 -0.223 0.000 1.083 200 L CA 1.618 56.315 54.840 -0.239 0.000 0.752 200 L CB -0.768 41.069 42.059 -0.371 0.000 0.899 200 L HN 0.266 nan 8.230 nan 0.000 0.433 201 S N -0.446 115.155 115.700 -0.165 0.000 2.383 201 S HA -0.123 4.359 4.470 0.019 0.000 0.227 201 S C 2.103 176.623 174.600 -0.134 0.000 1.026 201 S CA 1.133 59.256 58.200 -0.128 0.000 0.981 201 S CB -0.011 63.138 63.200 -0.085 0.000 0.818 201 S HN 0.432 nan 8.310 nan 0.000 0.472 202 A N 1.671 124.396 122.820 -0.158 0.000 1.898 202 A HA 0.063 4.394 4.320 0.019 0.000 0.216 202 A C 2.220 179.680 177.584 -0.206 0.000 1.181 202 A CA 1.370 53.311 52.037 -0.160 0.000 0.620 202 A CB -0.530 18.379 19.000 -0.152 0.000 0.819 202 A HN 0.534 nan 8.150 nan 0.000 0.442 203 M N -0.375 119.026 119.600 -0.331 0.000 2.296 203 M HA -0.058 4.433 4.480 0.019 0.000 0.265 203 M C 2.379 178.601 176.300 -0.130 0.000 1.064 203 M CA 1.300 56.424 55.300 -0.293 0.000 1.109 203 M CB -1.267 31.060 32.600 -0.455 0.000 1.396 203 M HN 0.508 nan 8.290 nan 0.000 0.430 204 A N 0.041 122.781 122.820 -0.134 0.000 1.969 204 A HA -0.138 4.193 4.320 0.019 0.000 0.218 204 A C 2.059 179.633 177.584 -0.016 0.000 1.169 204 A CA 1.329 53.319 52.037 -0.078 0.000 0.635 204 A CB -0.498 18.435 19.000 -0.112 0.000 0.810 204 A HN 0.534 nan 8.150 nan 0.000 0.445 205 E N -0.333 119.836 120.200 -0.052 0.000 2.106 205 E HA -0.103 4.258 4.350 0.019 0.000 0.192 205 E C 1.824 178.401 176.600 -0.039 0.000 0.984 205 E CA 1.027 57.402 56.400 -0.043 0.000 0.806 205 E CB -0.224 29.441 29.700 -0.058 0.000 0.750 205 E HN 0.700 nan 8.360 nan 0.000 0.458 206 I N 0.207 120.749 120.570 -0.047 0.000 2.252 206 I HA -0.267 3.914 4.170 0.019 0.000 0.245 206 I C 2.356 178.449 176.117 -0.039 0.000 1.102 206 I CA 0.962 62.226 61.300 -0.060 0.000 1.385 206 I CB -0.250 37.710 38.000 -0.067 0.000 1.064 206 I HN 0.114 nan 8.210 nan 0.000 0.414 207 Y N 1.896 122.134 120.300 -0.104 0.000 2.207 207 Y HA -0.320 4.241 4.550 0.018 0.000 0.287 207 Y C 2.596 178.443 175.900 -0.088 0.000 1.156 207 Y CA 1.846 59.894 58.100 -0.087 0.000 1.182 207 Y CB -0.158 38.255 38.460 -0.078 0.000 0.979 207 Y HN -0.004 nan 8.280 nan 0.000 0.521 208 K N -0.670 119.787 120.400 0.095 0.000 2.097 208 K HA -0.104 4.227 4.320 0.019 0.000 0.206 208 K C 1.907 178.455 176.600 -0.087 0.000 1.049 208 K CA 1.322 57.623 56.287 0.023 0.000 0.933 208 K CB -0.557 31.950 32.500 0.012 0.000 0.717 208 K HN 0.416 nan 8.250 nan 0.000 0.442 209 G N 0.609 109.336 108.800 -0.121 0.000 3.141 209 G HA2 0.045 4.016 3.960 0.019 0.000 0.218 209 G HA3 0.045 4.016 3.960 0.019 0.000 0.218 209 G C -0.072 174.669 174.900 -0.266 0.000 1.170 209 G CA -0.386 44.610 45.100 -0.174 0.000 0.769 209 G HN 0.153 nan 8.290 nan 0.000 0.546 210 L N 1.687 122.730 121.223 -0.301 0.000 2.360 210 L HA 0.440 4.791 4.340 0.019 0.000 0.276 210 L C -2.103 174.542 176.870 -0.376 0.000 1.121 210 L CA -1.812 52.798 54.840 -0.382 0.000 0.845 210 L CB 1.024 42.826 42.059 -0.427 0.000 1.143 210 L HN -0.161 nan 8.230 nan 0.000 0.452 211 P HA 0.035 nan 4.420 nan 0.000 0.269 211 P C -0.458 176.748 177.300 -0.157 0.000 1.217 211 P CA -0.000 62.892 63.100 -0.346 0.000 0.783 211 P CB 0.524 31.878 31.700 -0.577 0.000 0.898 212 D N 0.368 120.714 120.400 -0.091 0.000 2.363 212 D HA -0.070 4.581 4.640 0.019 0.000 0.226 212 D C 0.529 176.844 176.300 0.025 0.000 1.020 212 D CA 0.813 54.788 54.000 -0.042 0.000 0.892 212 D CB -0.146 40.633 40.800 -0.035 0.000 0.900 212 D HN 0.448 nan 8.370 nan 0.000 0.531 213 D N -1.576 118.886 120.400 0.103 0.000 2.501 213 D HA -0.013 4.638 4.640 0.019 0.000 0.224 213 D C 0.020 176.458 176.300 0.229 0.000 1.202 213 D CA -0.441 53.643 54.000 0.141 0.000 0.829 213 D CB -0.406 40.476 40.800 0.137 0.000 1.023 213 D HN -0.012 nan 8.370 nan 0.000 0.499 214 W N 1.071 122.293 121.300 -0.131 0.000 2.736 214 W HA 0.529 5.201 4.660 0.021 0.000 0.355 214 W C 0.212 176.594 176.519 -0.227 0.000 1.102 214 W CA -0.742 56.500 57.345 -0.172 0.000 1.164 214 W CB 1.487 30.835 29.460 -0.187 0.000 1.422 214 W HN -0.421 nan 8.180 nan 0.000 0.572 215 K N 1.339 121.662 120.400 -0.130 0.000 2.328 215 K HA 0.642 4.973 4.320 0.019 0.000 0.246 215 K C -1.713 174.620 176.600 -0.444 0.000 0.955 215 K CA -1.292 54.797 56.287 -0.330 0.000 0.817 215 K CB 2.401 34.567 32.500 -0.557 0.000 1.208 215 K HN 0.240 nan 8.250 nan 0.000 0.432 216 L N 2.986 124.011 121.223 -0.330 0.000 2.319 216 L HA 0.480 4.831 4.340 0.019 0.000 0.281 216 L C -1.692 175.127 176.870 -0.085 0.000 1.005 216 L CA -0.257 54.476 54.840 -0.177 0.000 0.828 216 L CB 0.455 42.522 42.059 0.013 0.000 1.227 216 L HN 0.365 nan 8.230 nan 0.000 0.415 217 F N 2.871 122.867 119.950 0.076 0.000 2.427 217 F HA 0.596 5.134 4.527 0.019 0.000 0.346 217 F C 0.537 176.385 175.800 0.081 0.000 1.120 217 F CA -0.869 57.164 58.000 0.054 0.000 1.033 217 F CB 1.700 40.701 39.000 0.001 0.000 1.126 217 F HN 0.531 nan 8.300 nan 0.000 0.462 218 S N 1.580 117.463 115.700 0.306 0.000 2.475 218 S HA 0.544 5.025 4.470 0.019 0.000 0.298 218 S C -0.698 174.027 174.600 0.208 0.000 1.119 218 S CA -0.885 57.474 58.200 0.266 0.000 1.085 218 S CB 1.939 65.320 63.200 0.301 0.000 1.028 218 S HN 0.692 nan 8.310 nan 0.000 0.489 219 E N 2.967 123.290 120.200 0.206 0.000 2.129 219 E HA 0.207 4.568 4.350 0.019 0.000 0.268 219 E C -0.244 176.492 176.600 0.226 0.000 0.900 219 E CA -0.769 55.703 56.400 0.119 0.000 0.755 219 E CB 0.591 30.336 29.700 0.074 0.000 1.117 219 E HN 0.918 nan 8.360 nan 0.000 0.410 220 H N 3.259 122.435 119.070 0.177 0.000 2.547 220 H HA 0.491 5.058 4.556 0.018 0.000 0.362 220 H C -0.851 174.601 175.328 0.208 0.000 1.181 220 H CA -0.672 55.463 56.048 0.145 0.000 1.376 220 H CB 1.343 31.154 29.762 0.081 0.000 1.488 220 H HN 0.391 nan 8.280 nan 0.000 0.583 221 K N 2.852 123.377 120.400 0.208 0.000 2.571 221 K HA 0.095 4.426 4.320 0.019 0.000 0.252 221 K C 0.694 177.281 176.600 -0.021 0.000 0.956 221 K CA -0.588 55.690 56.287 -0.014 0.000 0.822 221 K CB 2.509 34.912 32.500 -0.163 0.000 1.286 221 K HN 0.722 nan 8.250 nan 0.000 0.439 222 M N 3.526 123.113 119.600 -0.022 0.000 2.108 222 M HA -0.113 4.378 4.480 0.019 0.000 0.261 222 M C -0.471 175.919 176.300 0.150 0.000 1.066 222 M CA 1.698 57.047 55.300 0.082 0.000 1.107 222 M CB 0.106 32.831 32.600 0.208 0.000 1.356 222 M HN 0.614 nan 8.290 nan 0.000 0.406 223 Y N -2.462 117.805 120.300 -0.054 0.000 2.713 223 Y HA 0.498 5.059 4.550 0.019 0.000 0.335 223 Y C -1.165 174.698 175.900 -0.061 0.000 1.222 223 Y CA -1.635 56.436 58.100 -0.048 0.000 1.061 223 Y CB 0.244 38.736 38.460 0.053 0.000 1.314 223 Y HN 0.321 nan 8.280 nan 0.000 0.453 224 E N 1.700 121.836 120.200 -0.106 0.000 7.504 224 E HA -0.112 4.250 4.350 0.019 0.000 0.337 224 E C -2.387 174.124 176.600 -0.148 0.000 0.701 224 E CA 0.471 56.729 56.400 -0.237 0.000 1.302 224 E CB 0.171 29.806 29.700 -0.108 0.000 0.927 224 E HN 0.657 nan 8.360 nan 0.000 0.263 225 P HA -0.025 nan 4.420 nan 0.000 0.226 225 P C 0.267 177.054 177.300 -0.856 0.000 1.153 225 P CA 1.173 64.006 63.100 -0.445 0.000 0.777 225 P CB 0.190 31.779 31.700 -0.185 0.000 0.794 226 A N -0.223 122.268 122.820 -0.548 0.000 2.366 226 A HA 0.389 4.720 4.320 0.019 0.000 0.272 226 A C -0.009 177.312 177.584 -0.438 0.000 1.135 226 A CA -0.339 51.441 52.037 -0.427 0.000 0.804 226 A CB -0.320 18.572 19.000 -0.179 0.000 1.064 226 A HN -0.039 nan 8.150 nan 0.000 0.499 227 F N 1.079 121.054 119.950 0.041 0.000 2.653 227 F HA 0.190 4.729 4.527 0.018 0.000 0.304 227 F C 0.975 176.799 175.800 0.039 0.000 1.092 227 F CA 0.067 58.087 58.000 0.033 0.000 1.279 227 F CB -0.134 38.856 39.000 -0.016 0.000 1.044 227 F HN 0.807 nan 8.300 nan 0.000 0.564 228 Y N -0.044 120.290 120.300 0.056 0.000 2.769 228 Y HA 0.357 4.919 4.550 0.019 0.000 0.266 228 Y C 0.583 176.518 175.900 0.057 0.000 1.091 228 Y CA 0.320 58.447 58.100 0.046 0.000 1.272 228 Y CB 0.219 38.699 38.460 0.034 0.000 1.469 228 Y HN -0.139 nan 8.280 nan 0.000 0.475 229 S N -0.282 115.273 115.700 -0.240 0.000 2.564 229 S HA 0.743 5.225 4.470 0.019 0.000 0.274 229 S C -1.071 173.441 174.600 -0.148 0.000 1.124 229 S CA -0.437 57.565 58.200 -0.330 0.000 0.869 229 S CB 2.147 65.173 63.200 -0.290 0.000 1.105 229 S HN 0.093 nan 8.310 nan 0.000 0.472 230 T N 2.151 116.588 114.554 -0.196 0.000 2.881 230 T HA 0.417 4.778 4.350 0.019 0.000 0.290 230 T C 1.203 175.771 174.700 -0.219 0.000 1.000 230 T CA -0.618 61.386 62.100 -0.161 0.000 0.978 230 T CB 1.621 70.412 68.868 -0.128 0.000 0.997 230 T HN 0.525 nan 8.240 nan 0.000 0.443 231 V N 2.830 122.623 119.914 -0.203 0.000 2.255 231 V HA -0.083 4.048 4.120 0.019 0.000 0.247 231 V C 1.285 177.133 176.094 -0.411 0.000 1.051 231 V CA 1.473 63.609 62.300 -0.272 0.000 1.018 231 V CB -0.239 31.457 31.823 -0.212 0.000 0.641 231 V HN 0.724 nan 8.190 nan 0.000 0.445 232 V N 3.111 122.810 119.914 -0.357 0.000 2.174 232 V HA 0.131 4.262 4.120 0.019 0.000 0.259 232 V C 1.295 177.311 176.094 -0.131 0.000 1.261 232 V CA -0.012 62.119 62.300 -0.283 0.000 1.137 232 V CB 0.529 32.226 31.823 -0.210 0.000 1.290 232 V HN 0.626 nan 8.190 nan 0.000 0.486 233 Q N 2.118 121.803 119.800 -0.191 0.000 2.212 233 Q HA -0.012 4.339 4.340 0.019 0.000 0.199 233 Q C 0.176 176.157 176.000 -0.032 0.000 0.950 233 Q CA 1.510 57.243 55.803 -0.116 0.000 0.863 233 Q CB 0.462 29.080 28.738 -0.200 0.000 0.944 233 Q HN 0.774 nan 8.270 nan 0.000 0.465 234 D N -1.956 118.379 120.400 -0.109 0.000 2.752 234 D HA 0.038 4.689 4.640 0.019 0.000 0.313 234 D C 0.870 176.906 176.300 -0.439 0.000 1.225 234 D CA -0.507 53.391 54.000 -0.170 0.000 0.976 234 D CB -0.897 39.838 40.800 -0.109 0.000 1.443 234 D HN 0.145 nan 8.370 nan 0.000 0.515 235 W N 0.548 121.399 121.300 -0.750 0.000 2.465 235 W HA 0.111 4.785 4.660 0.022 0.000 0.268 235 W C 1.003 177.401 176.519 -0.201 0.000 1.242 235 W CA 1.046 58.040 57.345 -0.584 0.000 1.248 235 W CB -1.254 27.988 29.460 -0.362 0.000 1.118 235 W HN 0.442 nan 8.180 nan 0.000 0.587 236 G N 1.605 109.826 108.800 -0.965 0.000 2.414 236 G HA2 -0.246 3.725 3.960 0.019 0.000 0.215 236 G HA3 -0.246 3.725 3.960 0.019 0.000 0.215 236 G C 1.500 176.159 174.900 -0.402 0.000 1.188 236 G CA 2.042 46.596 45.100 -0.910 0.000 0.783 236 G HN 0.282 nan 8.290 nan 0.000 0.537 237 T N 1.016 115.358 114.554 -0.353 0.000 2.788 237 T HA -0.127 4.234 4.350 0.019 0.000 0.268 237 T C 2.334 176.986 174.700 -0.080 0.000 1.044 237 T CA 1.216 63.140 62.100 -0.292 0.000 1.139 237 T CB -0.256 68.323 68.868 -0.482 0.000 0.867 237 T HN 0.212 nan 8.240 nan 0.000 0.454 238 N N 0.493 119.170 118.700 -0.038 0.000 2.120 238 N HA -0.108 4.643 4.740 0.019 0.000 0.188 238 N C 1.568 177.169 175.510 0.150 0.000 1.024 238 N CA 1.096 54.220 53.050 0.123 0.000 0.852 238 N CB -0.438 38.187 38.487 0.231 0.000 1.003 238 N HN 0.475 nan 8.380 nan 0.000 0.424 239 Y N 1.247 121.557 120.300 0.015 0.000 2.181 239 Y HA -0.055 4.506 4.550 0.018 0.000 0.288 239 Y C 2.139 178.058 175.900 0.031 0.000 1.146 239 Y CA 1.360 59.479 58.100 0.033 0.000 1.164 239 Y CB -0.478 37.943 38.460 -0.065 0.000 0.982 239 Y HN 0.038 nan 8.280 nan 0.000 0.515 240 L N -0.473 120.702 121.223 -0.079 0.000 2.079 240 L HA -0.254 4.097 4.340 0.019 0.000 0.210 240 L C 2.383 179.233 176.870 -0.034 0.000 1.081 240 L CA 1.506 56.304 54.840 -0.070 0.000 0.752 240 L CB -0.601 41.533 42.059 0.124 0.000 0.896 240 L HN 0.283 nan 8.230 nan 0.000 0.433 241 I N -0.184 120.444 120.570 0.098 0.000 2.133 241 I HA -0.268 3.913 4.170 0.019 0.000 0.238 241 I C 2.862 178.979 176.117 0.000 0.000 1.074 241 I CA 1.230 62.606 61.300 0.127 0.000 1.342 241 I CB -0.550 37.628 38.000 0.296 0.000 1.053 241 I HN 0.172 nan 8.210 nan 0.000 0.404 242 A N 0.125 122.944 122.820 -0.002 0.000 1.892 242 A HA -0.327 4.004 4.320 0.019 0.000 0.218 242 A C 2.239 179.747 177.584 -0.128 0.000 1.188 242 A CA 2.241 54.269 52.037 -0.015 0.000 0.631 242 A CB -0.767 18.264 19.000 0.051 0.000 0.822 242 A HN 0.439 nan 8.150 nan 0.000 0.447 243 Q N -0.530 119.084 119.800 -0.310 0.000 2.050 243 Q HA -0.119 4.232 4.340 0.019 0.000 0.202 243 Q C 2.109 177.988 176.000 -0.202 0.000 0.980 243 Q CA 2.587 58.198 55.803 -0.321 0.000 0.840 243 Q CB -0.930 27.458 28.738 -0.583 0.000 0.898 243 Q HN 0.606 nan 8.270 nan 0.000 0.424 244 T N 0.693 115.132 114.554 -0.192 0.000 2.708 244 T HA -0.084 4.277 4.350 0.019 0.000 0.266 244 T C 1.734 176.296 174.700 -0.230 0.000 1.037 244 T CA 1.354 63.349 62.100 -0.175 0.000 1.146 244 T CB -0.253 68.520 68.868 -0.159 0.000 0.865 244 T HN 0.209 nan 8.240 nan 0.000 0.435 245 L N 0.054 121.121 121.223 -0.260 0.000 2.027 245 L HA 0.201 4.552 4.340 0.019 0.000 0.206 245 L C 1.495 177.880 176.870 -0.808 0.000 1.074 245 L CA 0.915 55.470 54.840 -0.475 0.000 0.745 245 L CB -0.559 41.308 42.059 -0.320 0.000 0.898 245 L HN 0.516 nan 8.230 nan 0.000 0.433 246 G N -2.719 105.821 108.800 -0.433 0.000 2.368 246 G HA2 0.025 3.996 3.960 0.019 0.000 0.302 246 G HA3 0.025 3.996 3.960 0.019 0.000 0.302 246 G C -2.643 172.292 174.900 0.059 0.000 1.329 246 G CA -0.574 44.373 45.100 -0.255 0.000 0.935 246 G HN -0.274 nan 8.290 nan 0.000 0.590 247 P HA 0.008 nan 4.420 nan 0.000 0.219 247 P C 1.450 178.861 177.300 0.186 0.000 1.146 247 P CA 1.260 64.450 63.100 0.150 0.000 0.808 247 P CB 0.119 31.895 31.700 0.127 0.000 0.779 248 K N -1.089 119.474 120.400 0.272 0.000 2.459 248 K HA 0.231 4.562 4.320 0.019 0.000 0.193 248 K C 0.680 177.388 176.600 0.181 0.000 1.030 248 K CA -0.053 56.330 56.287 0.159 0.000 1.026 248 K CB 0.148 32.631 32.500 -0.028 0.000 0.809 248 K HN 0.065 nan 8.250 nan 0.000 0.504 249 A N 1.713 124.716 122.820 0.305 0.000 2.276 249 A HA 0.362 4.693 4.320 0.019 0.000 0.316 249 A C -0.556 177.157 177.584 0.214 0.000 1.229 249 A CA -0.465 51.719 52.037 0.245 0.000 0.851 249 A CB 0.650 19.799 19.000 0.248 0.000 1.165 249 A HN 0.100 nan 8.150 nan 0.000 0.513 250 Q N 0.351 120.323 119.800 0.286 0.000 2.605 250 Q HA 0.480 4.832 4.340 0.019 0.000 0.296 250 Q C -1.348 174.835 176.000 0.305 0.000 1.056 250 Q CA -0.836 55.151 55.803 0.306 0.000 0.778 250 Q CB 2.192 31.143 28.738 0.355 0.000 1.497 250 Q HN 0.767 nan 8.270 nan 0.000 0.443 251 C N 1.428 120.848 119.300 0.200 0.000 2.350 251 C HA 0.595 5.066 4.460 0.019 0.000 0.348 251 C C -0.189 174.766 174.990 -0.059 0.000 1.260 251 C CA -0.643 58.465 59.018 0.151 0.000 1.966 251 C CB -0.413 27.465 27.740 0.229 0.000 2.380 251 C HN 0.625 nan 8.230 nan 0.000 0.535 252 L N 3.680 124.836 121.223 -0.112 0.000 2.296 252 L HA 0.672 5.023 4.340 0.019 0.000 0.286 252 L C -0.760 175.909 176.870 -0.335 0.000 1.023 252 L CA -0.130 54.483 54.840 -0.377 0.000 0.812 252 L CB 1.020 42.811 42.059 -0.446 0.000 1.223 252 L HN 0.540 nan 8.230 nan 0.000 0.421 253 V N 4.314 123.998 119.914 -0.384 0.000 2.350 253 V HA 0.287 4.418 4.120 0.019 0.000 0.276 253 V C -0.341 175.619 176.094 -0.223 0.000 1.028 253 V CA -0.556 61.614 62.300 -0.216 0.000 0.860 253 V CB 1.252 33.048 31.823 -0.045 0.000 0.990 253 V HN 0.663 nan 8.190 nan 0.000 0.453 254 D N 4.500 124.688 120.400 -0.352 0.000 2.329 254 D HA 0.292 4.943 4.640 0.019 0.000 0.232 254 D C 1.137 177.346 176.300 -0.152 0.000 1.088 254 D CA -0.393 53.381 54.000 -0.378 0.000 0.835 254 D CB 1.721 41.935 40.800 -0.977 0.000 1.078 254 D HN 0.388 nan 8.370 nan 0.000 0.495 255 L N 2.968 124.209 121.223 0.030 0.000 2.089 255 L HA -0.168 4.184 4.340 0.019 0.000 0.213 255 L C 2.130 179.147 176.870 0.245 0.000 1.079 255 L CA 1.692 56.637 54.840 0.175 0.000 0.758 255 L CB -0.376 41.765 42.059 0.137 0.000 0.891 255 L HN 0.482 nan 8.230 nan 0.000 0.433 256 G N -2.426 106.450 108.800 0.126 0.000 2.985 256 G HA2 -0.073 3.898 3.960 0.019 0.000 0.209 256 G HA3 -0.073 3.898 3.960 0.019 0.000 0.209 256 G C 0.856 175.892 174.900 0.228 0.000 1.165 256 G CA -0.223 44.989 45.100 0.186 0.000 0.776 256 G HN 0.541 nan 8.290 nan 0.000 0.541 257 H N 0.041 119.019 119.070 -0.155 0.000 2.568 257 H HA 0.179 4.746 4.556 0.020 0.000 0.302 257 H C -0.043 175.037 175.328 -0.414 0.000 1.065 257 H CA -0.437 55.414 56.048 -0.329 0.000 1.140 257 H CB 0.268 29.776 29.762 -0.422 0.000 1.474 257 H HN 0.356 nan 8.280 nan 0.000 0.545 258 H N -0.141 119.060 119.070 0.218 0.000 2.670 258 H HA 0.431 4.998 4.556 0.019 0.000 0.361 258 H C 0.084 175.521 175.328 0.182 0.000 1.169 258 H CA -0.874 55.297 56.048 0.205 0.000 1.198 258 H CB 1.564 31.431 29.762 0.175 0.000 1.700 258 H HN 0.234 nan 8.280 nan 0.000 0.542 259 A N 2.286 125.276 122.820 0.282 0.000 2.448 259 A HA 0.199 4.530 4.320 0.019 0.000 0.239 259 A C -2.123 175.570 177.584 0.182 0.000 1.080 259 A CA -0.919 51.244 52.037 0.210 0.000 0.779 259 A CB -0.708 18.383 19.000 0.151 0.000 1.026 259 A HN 0.411 nan 8.150 nan 0.000 0.499 260 P HA 0.078 nan 4.420 nan 0.000 0.265 260 P C 0.003 177.355 177.300 0.088 0.000 1.193 260 P CA 0.566 63.735 63.100 0.115 0.000 0.765 260 P CB 0.231 31.990 31.700 0.099 0.000 0.823 261 N N -1.249 117.493 118.700 0.070 0.000 2.863 261 N HA -0.137 4.614 4.740 0.019 0.000 0.245 261 N C -0.393 175.140 175.510 0.038 0.000 1.001 261 N CA 1.168 54.246 53.050 0.046 0.000 0.901 261 N CB -2.302 36.209 38.487 0.040 0.000 1.124 261 N HN 0.384 nan 8.380 nan 0.000 0.582 262 T N 1.621 116.209 114.554 0.056 0.000 2.946 262 T HA -0.027 4.335 4.350 0.019 0.000 0.311 262 T C 0.807 175.487 174.700 -0.033 0.000 1.063 262 T CA -0.074 62.045 62.100 0.033 0.000 1.139 262 T CB 0.559 69.473 68.868 0.076 0.000 0.994 262 T HN 0.150 nan 8.240 nan 0.000 0.547 263 N N 3.165 121.830 118.700 -0.059 0.000 2.555 263 N HA 0.111 4.862 4.740 0.019 0.000 0.244 263 N C 1.027 176.430 175.510 -0.178 0.000 1.114 263 N CA -0.167 52.823 53.050 -0.099 0.000 0.963 263 N CB -0.019 38.418 38.487 -0.085 0.000 1.276 263 N HN 0.558 nan 8.380 nan 0.000 0.510 264 I N 1.846 122.287 120.570 -0.215 0.000 2.315 264 I HA -0.236 3.945 4.170 0.019 0.000 0.248 264 I C 2.194 178.160 176.117 -0.252 0.000 1.117 264 I CA 0.767 61.871 61.300 -0.327 0.000 1.404 264 I CB 0.007 37.808 38.000 -0.331 0.000 1.071 264 I HN 0.533 nan 8.210 nan 0.000 0.419 265 E N 1.422 121.506 120.200 -0.193 0.000 2.204 265 E HA -0.295 4.066 4.350 0.019 0.000 0.195 265 E C 2.095 178.584 176.600 -0.185 0.000 0.990 265 E CA 1.327 57.624 56.400 -0.171 0.000 0.821 265 E CB -0.632 28.962 29.700 -0.176 0.000 0.750 265 E HN 0.578 nan 8.360 nan 0.000 0.477 266 M N 0.813 120.287 119.600 -0.210 0.000 2.200 266 M HA -0.043 4.449 4.480 0.019 0.000 0.265 266 M C 2.235 178.313 176.300 -0.370 0.000 1.066 266 M CA 1.177 56.339 55.300 -0.229 0.000 1.127 266 M CB -0.031 32.457 32.600 -0.188 0.000 1.379 266 M HN 0.005 nan 8.290 nan 0.000 0.420 267 I N -0.308 119.960 120.570 -0.503 0.000 2.226 267 I HA -0.275 3.906 4.170 0.019 0.000 0.245 267 I C 2.228 178.024 176.117 -0.535 0.000 1.100 267 I CA 1.096 61.882 61.300 -0.857 0.000 1.374 267 I CB -0.510 37.002 38.000 -0.814 0.000 1.057 267 I HN 0.155 nan 8.210 nan 0.000 0.413 268 V N 1.159 120.914 119.914 -0.266 0.000 2.287 268 V HA -0.339 3.792 4.120 0.019 0.000 0.248 268 V C 2.742 178.775 176.094 -0.101 0.000 1.053 268 V CA 2.126 64.376 62.300 -0.084 0.000 1.027 268 V CB -1.072 30.802 31.823 0.086 0.000 0.646 268 V HN 0.518 nan 8.190 nan 0.000 0.447 269 A N -0.210 122.524 122.820 -0.144 0.000 1.877 269 A HA -0.204 4.127 4.320 0.019 0.000 0.216 269 A C 2.365 179.880 177.584 -0.115 0.000 1.186 269 A CA 1.571 53.532 52.037 -0.126 0.000 0.620 269 A CB -0.466 18.459 19.000 -0.124 0.000 0.822 269 A HN 0.412 nan 8.150 nan 0.000 0.443 270 R N -0.381 120.006 120.500 -0.188 0.000 2.073 270 R HA -0.055 4.296 4.340 0.019 0.000 0.234 270 R C 2.104 178.435 176.300 0.052 0.000 1.134 270 R CA 1.351 57.391 56.100 -0.101 0.000 0.952 270 R CB -1.050 29.013 30.300 -0.396 0.000 0.850 270 R HN 0.594 nan 8.270 nan 0.000 0.433 271 L N 0.309 121.503 121.223 -0.047 0.000 2.083 271 L HA -0.126 4.225 4.340 0.019 0.000 0.209 271 L C 2.447 179.394 176.870 0.128 0.000 1.083 271 L CA 0.995 55.905 54.840 0.115 0.000 0.752 271 L CB -0.370 41.735 42.059 0.076 0.000 0.899 271 L HN 0.109 nan 8.230 nan 0.000 0.433 272 I N -0.622 119.958 120.570 0.018 0.000 2.202 272 I HA -0.315 3.866 4.170 0.019 0.000 0.242 272 I C 2.707 178.765 176.117 -0.098 0.000 1.091 272 I CA 1.248 62.492 61.300 -0.093 0.000 1.368 272 I CB -0.302 37.508 38.000 -0.318 0.000 1.058 272 I HN 0.364 nan 8.210 nan 0.000 0.410 273 Q N 0.882 120.640 119.800 -0.069 0.000 2.135 273 Q HA -0.208 4.144 4.340 0.019 0.000 0.204 273 Q C 1.449 177.274 176.000 -0.290 0.000 0.981 273 Q CA 1.876 57.575 55.803 -0.173 0.000 0.856 273 Q CB 0.002 28.658 28.738 -0.136 0.000 0.902 273 Q HN 0.471 nan 8.270 nan 0.000 0.425 274 F N -0.678 119.273 119.950 0.002 0.000 2.645 274 F HA 0.309 4.848 4.527 0.020 0.000 0.300 274 F C 1.188 177.077 175.800 0.149 0.000 1.115 274 F CA 0.298 58.343 58.000 0.074 0.000 1.355 274 F CB 0.708 39.734 39.000 0.043 0.000 1.026 274 F HN 0.186 nan 8.300 nan 0.000 0.536 275 G N 0.897 109.807 108.800 0.183 0.000 2.283 275 G HA2 -0.324 3.647 3.960 0.019 0.000 0.280 275 G HA3 -0.324 3.647 3.960 0.019 0.000 0.280 275 G C 0.973 176.017 174.900 0.240 0.000 1.029 275 G CA 0.233 45.442 45.100 0.182 0.000 0.840 275 G HN 0.252 nan 8.290 nan 0.000 0.505 276 K N -0.920 119.650 120.400 0.283 0.000 2.564 276 K HA 0.267 4.598 4.320 0.019 0.000 0.205 276 K C 0.500 177.222 176.600 0.203 0.000 1.053 276 K CA -0.542 55.911 56.287 0.277 0.000 1.072 276 K CB 0.663 33.396 32.500 0.388 0.000 0.822 276 K HN 0.395 nan 8.250 nan 0.000 0.497 277 L N 1.153 122.471 121.223 0.158 0.000 2.356 277 L HA 0.292 4.643 4.340 0.019 0.000 0.282 277 L C 1.151 177.977 176.870 -0.073 0.000 1.132 277 L CA 0.186 55.037 54.840 0.019 0.000 0.923 277 L CB 0.640 42.741 42.059 0.069 0.000 1.278 277 L HN 0.216 nan 8.230 nan 0.000 0.436 278 G N 2.937 111.639 108.800 -0.163 0.000 2.394 278 G HA2 0.366 4.337 3.960 0.019 0.000 0.215 278 G HA3 0.366 4.337 3.960 0.019 0.000 0.215 278 G C 0.574 175.012 174.900 -0.770 0.000 1.165 278 G CA 0.698 45.618 45.100 -0.301 0.000 0.784 278 G HN 0.944 nan 8.290 nan 0.000 0.535 279 G N -1.995 106.262 108.800 -0.905 0.000 2.427 279 G HA2 0.480 4.451 3.960 0.019 0.000 0.306 279 G HA3 0.480 4.451 3.960 0.019 0.000 0.306 279 G C -1.919 172.397 174.900 -0.972 0.000 1.280 279 G CA -1.004 43.569 45.100 -0.879 0.000 0.837 279 G HN 0.059 nan 8.290 nan 0.000 0.482 280 F N -0.435 119.251 119.950 -0.440 0.000 2.588 280 F HA 0.599 5.136 4.527 0.016 0.000 0.314 280 F C 0.039 175.630 175.800 -0.348 0.000 1.069 280 F CA -0.595 57.086 58.000 -0.533 0.000 0.931 280 F CB 2.587 40.992 39.000 -0.992 0.000 1.260 280 F HN 0.368 nan 8.300 nan 0.000 0.465 281 H N 2.097 120.995 119.070 -0.288 0.000 2.762 281 H HA 0.344 4.910 4.556 0.018 0.000 0.310 281 H C -1.194 174.022 175.328 -0.186 0.000 1.004 281 H CA -0.725 55.220 56.048 -0.170 0.000 1.267 281 H CB 0.978 30.640 29.762 -0.166 0.000 1.437 281 H HN 0.337 nan 8.280 nan 0.000 0.498 282 F N 3.197 123.249 119.950 0.171 0.000 2.384 282 F HA 0.175 4.712 4.527 0.017 0.000 0.338 282 F C 0.530 176.371 175.800 0.068 0.000 1.103 282 F CA -0.226 57.839 58.000 0.108 0.000 1.157 282 F CB 0.990 40.059 39.000 0.115 0.000 1.167 282 F HN 0.705 nan 8.300 nan 0.000 0.529 283 N N -0.587 118.281 118.700 0.281 0.000 3.836 283 N HA 0.273 5.024 4.740 0.019 0.000 0.229 283 N C -2.295 173.314 175.510 0.165 0.000 1.375 283 N CA -0.989 52.168 53.050 0.179 0.000 0.838 283 N CB 0.927 39.489 38.487 0.124 0.000 1.447 283 N HN 0.304 nan 8.380 nan 0.000 0.458 284 D N -1.311 119.171 120.400 0.136 0.000 2.423 284 D HA 0.812 5.464 4.640 0.019 0.000 0.235 284 D C -1.130 175.237 176.300 0.111 0.000 1.011 284 D CA -0.063 54.009 54.000 0.120 0.000 0.963 284 D CB 2.056 42.920 40.800 0.107 0.000 1.349 284 D HN 0.791 nan 8.370 nan 0.000 0.508 285 S N 0.090 115.844 115.700 0.091 0.000 2.611 285 S HA 0.436 4.917 4.470 0.019 0.000 0.268 285 S C -0.025 174.580 174.600 0.008 0.000 1.156 285 S CA -0.763 57.487 58.200 0.082 0.000 0.817 285 S CB 2.551 65.819 63.200 0.113 0.000 1.122 285 S HN 0.468 nan 8.310 nan 0.000 0.466 286 K N -0.966 119.390 120.400 -0.072 0.000 2.550 286 K HA 0.333 4.664 4.320 0.019 0.000 0.205 286 K C 0.141 176.452 176.600 -0.483 0.000 1.429 286 K CA -0.001 56.079 56.287 -0.344 0.000 0.997 286 K CB 0.171 32.313 32.500 -0.597 0.000 1.328 286 K HN 0.666 nan 8.250 nan 0.000 0.546 287 Y N -0.646 119.720 120.300 0.110 0.000 2.569 287 Y HA 0.408 4.970 4.550 0.020 0.000 0.278 287 Y C 1.479 177.477 175.900 0.162 0.000 1.130 287 Y CA 0.339 58.511 58.100 0.121 0.000 1.280 287 Y CB 0.231 38.757 38.460 0.110 0.000 1.379 287 Y HN 0.102 nan 8.280 nan 0.000 0.508 288 G N -0.990 108.010 108.800 0.334 0.000 3.291 288 G HA2 0.172 4.143 3.960 0.019 0.000 0.173 288 G HA3 0.172 4.143 3.960 0.019 0.000 0.173 288 G C -1.230 173.765 174.900 0.158 0.000 1.099 288 G CA -0.247 45.022 45.100 0.282 0.000 0.794 288 G HN -0.030 nan 8.290 nan 0.000 0.651 289 D N 0.683 121.114 120.400 0.052 0.000 2.713 289 D HA 0.220 4.871 4.640 0.019 0.000 0.229 289 D C 0.573 176.931 176.300 0.097 0.000 1.136 289 D CA -0.343 53.687 54.000 0.049 0.000 1.010 289 D CB -0.050 40.690 40.800 -0.099 0.000 1.084 289 D HN 0.142 nan 8.370 nan 0.000 0.495 290 D N 0.896 121.382 120.400 0.142 0.000 2.263 290 D HA -0.146 4.505 4.640 0.019 0.000 0.208 290 D C 0.330 176.725 176.300 0.159 0.000 0.971 290 D CA 0.557 54.653 54.000 0.160 0.000 0.867 290 D CB -0.005 40.907 40.800 0.186 0.000 0.929 290 D HN 0.412 nan 8.370 nan 0.000 0.492 291 D N -0.182 120.313 120.400 0.158 0.000 2.772 291 D HA -0.174 4.477 4.640 0.019 0.000 0.233 291 D C 0.040 176.415 176.300 0.125 0.000 1.143 291 D CA 0.361 54.460 54.000 0.166 0.000 0.700 291 D CB -1.267 39.710 40.800 0.295 0.000 1.076 291 D HN 0.321 nan 8.370 nan 0.000 0.430 292 L N 0.009 121.308 121.223 0.127 0.000 2.479 292 L HA 0.225 4.576 4.340 0.019 0.000 0.249 292 L C 0.950 177.898 176.870 0.131 0.000 1.178 292 L CA -0.671 54.246 54.840 0.128 0.000 0.811 292 L CB 0.387 42.523 42.059 0.129 0.000 1.187 292 L HN -0.191 nan 8.230 nan 0.000 0.480 293 D N 1.185 121.678 120.400 0.155 0.000 2.493 293 D HA 0.203 4.855 4.640 0.019 0.000 0.240 293 D C 0.146 176.515 176.300 0.115 0.000 1.142 293 D CA 0.226 54.316 54.000 0.150 0.000 0.872 293 D CB 0.625 41.501 40.800 0.125 0.000 1.173 293 D HN 0.581 nan 8.370 nan 0.000 0.467 294 A N 2.206 125.093 122.820 0.112 0.000 2.567 294 A HA 0.429 4.760 4.320 0.019 0.000 0.240 294 A C 1.667 179.297 177.584 0.077 0.000 1.053 294 A CA 0.453 52.554 52.037 0.106 0.000 0.755 294 A CB -0.359 18.697 19.000 0.093 0.000 0.978 294 A HN 0.984 nan 8.150 nan 0.000 0.507 295 G N 1.032 109.887 108.800 0.092 0.000 2.184 295 G HA2 -0.076 3.895 3.960 0.019 0.000 0.264 295 G HA3 -0.076 3.895 3.960 0.019 0.000 0.264 295 G C 1.130 176.079 174.900 0.081 0.000 0.975 295 G CA 1.104 46.258 45.100 0.090 0.000 0.642 295 G HN 2.057 nan 8.290 nan 0.000 0.536 296 A N -0.505 122.361 122.820 0.076 0.000 2.119 296 A HA 0.460 4.791 4.320 0.019 0.000 0.217 296 A C 2.158 179.781 177.584 0.066 0.000 1.153 296 A CA 1.830 53.908 52.037 0.067 0.000 0.692 296 A CB -0.153 18.890 19.000 0.072 0.000 0.799 296 A HN 0.535 nan 8.150 nan 0.000 0.458 297 I N -1.488 119.123 120.570 0.069 0.000 3.443 297 I HA 0.142 4.323 4.170 0.019 0.000 0.277 297 I C 0.140 176.291 176.117 0.057 0.000 1.169 297 I CA 0.729 62.060 61.300 0.053 0.000 1.419 297 I CB -0.676 37.347 38.000 0.038 0.000 1.331 297 I HN 0.226 nan 8.210 nan 0.000 0.458 298 E N 2.614 122.858 120.200 0.074 0.000 2.873 298 E HA 0.197 4.559 4.350 0.019 0.000 0.232 298 E C -1.880 174.794 176.600 0.123 0.000 1.123 298 E CA -1.371 55.082 56.400 0.088 0.000 0.809 298 E CB 1.806 31.546 29.700 0.066 0.000 1.366 298 E HN 0.126 nan 8.360 nan 0.000 0.400 299 P HA -0.202 nan 4.420 nan 0.000 0.219 299 P C 1.218 178.687 177.300 0.282 0.000 1.150 299 P CA 0.906 64.143 63.100 0.229 0.000 0.814 299 P CB 0.250 32.106 31.700 0.259 0.000 0.787 300 Y N 2.081 122.367 120.300 -0.023 0.000 2.200 300 Y HA -0.121 4.439 4.550 0.017 0.000 0.290 300 Y C 2.861 178.720 175.900 -0.067 0.000 1.137 300 Y CA 1.208 59.102 58.100 -0.344 0.000 1.163 300 Y CB -0.913 37.265 38.460 -0.470 0.000 0.988 300 Y HN -0.208 nan 8.280 nan 0.000 0.518 301 R N -0.282 120.209 120.500 -0.014 0.000 2.091 301 R HA -0.194 4.157 4.340 0.019 0.000 0.238 301 R C 2.184 178.460 176.300 -0.039 0.000 1.136 301 R CA 1.755 57.805 56.100 -0.083 0.000 0.959 301 R CB -0.666 29.626 30.300 -0.014 0.000 0.856 301 R HN 0.420 nan 8.270 nan 0.000 0.437 302 L N 0.434 121.699 121.223 0.071 0.000 2.083 302 L HA -0.106 4.245 4.340 0.019 0.000 0.209 302 L C 1.999 178.979 176.870 0.183 0.000 1.083 302 L CA 1.639 56.557 54.840 0.130 0.000 0.752 302 L CB -0.695 41.465 42.059 0.168 0.000 0.899 302 L HN 0.274 nan 8.230 nan 0.000 0.433 303 F N -0.428 119.550 119.950 0.046 0.000 2.134 303 F HA -0.178 4.358 4.527 0.015 0.000 0.299 303 F C 1.959 177.733 175.800 -0.044 0.000 1.097 303 F CA 1.656 59.695 58.000 0.064 0.000 1.264 303 F CB -0.345 38.719 39.000 0.107 0.000 1.001 303 F HN 0.042 nan 8.300 nan 0.000 0.479 304 L N -0.527 120.466 121.223 -0.384 0.000 2.141 304 L HA -0.182 4.170 4.340 0.019 0.000 0.209 304 L C 2.355 179.017 176.870 -0.346 0.000 1.094 304 L CA 0.695 55.236 54.840 -0.499 0.000 0.763 304 L CB -0.772 41.020 42.059 -0.446 0.000 0.908 304 L HN 0.069 nan 8.230 nan 0.000 0.437 305 V N -0.707 119.058 119.914 -0.249 0.000 2.307 305 V HA -0.261 3.870 4.120 0.019 0.000 0.245 305 V C 2.206 178.115 176.094 -0.308 0.000 1.045 305 V CA 1.790 63.932 62.300 -0.262 0.000 1.024 305 V CB -0.521 31.122 31.823 -0.300 0.000 0.651 305 V HN 0.222 nan 8.190 nan 0.000 0.449 306 F N 0.894 120.711 119.950 -0.222 0.000 2.293 306 F HA -0.121 4.413 4.527 0.012 0.000 0.300 306 F C 2.271 177.948 175.800 -0.205 0.000 1.086 306 F CA 1.673 59.575 58.000 -0.163 0.000 1.375 306 F CB -0.639 38.261 39.000 -0.166 0.000 1.045 306 F HN 0.244 nan 8.300 nan 0.000 0.516 307 N N 0.335 118.873 118.700 -0.269 0.000 2.166 307 N HA -0.186 4.566 4.740 0.019 0.000 0.186 307 N C 1.724 177.153 175.510 -0.135 0.000 1.019 307 N CA 1.473 54.333 53.050 -0.317 0.000 0.856 307 N CB -0.099 38.062 38.487 -0.543 0.000 0.993 307 N HN 0.077 nan 8.380 nan 0.000 0.426 308 E N 0.231 120.358 120.200 -0.120 0.000 2.107 308 E HA -0.070 4.291 4.350 0.019 0.000 0.191 308 E C 2.098 178.715 176.600 0.029 0.000 0.982 308 E CA 0.481 56.845 56.400 -0.061 0.000 0.809 308 E CB -0.252 29.407 29.700 -0.068 0.000 0.756 308 E HN 0.484 nan 8.360 nan 0.000 0.459 309 L N 0.261 121.552 121.223 0.113 0.000 2.027 309 L HA -0.142 4.209 4.340 0.019 0.000 0.206 309 L C 2.522 179.574 176.870 0.303 0.000 1.074 309 L CA 0.828 55.861 54.840 0.321 0.000 0.745 309 L CB -0.572 41.709 42.059 0.371 0.000 0.898 309 L HN -0.016 nan 8.230 nan 0.000 0.433 310 V N 0.014 120.061 119.914 0.222 0.000 2.427 310 V HA -0.295 3.836 4.120 0.019 0.000 0.248 310 V C 2.168 178.317 176.094 0.092 0.000 1.051 310 V CA 2.068 64.472 62.300 0.173 0.000 1.048 310 V CB -0.488 31.392 31.823 0.095 0.000 0.666 310 V HN 0.471 nan 8.190 nan 0.000 0.456 311 D N 0.326 120.748 120.400 0.037 0.000 2.144 311 D HA -0.153 4.498 4.640 0.019 0.000 0.199 311 D C 2.137 178.425 176.300 -0.020 0.000 0.984 311 D CA 1.451 55.449 54.000 -0.003 0.000 0.834 311 D CB -0.137 40.643 40.800 -0.034 0.000 0.955 311 D HN 0.363 nan 8.370 nan 0.000 0.465 312 A N 0.504 123.299 122.820 -0.041 0.000 1.892 312 A HA -0.278 4.053 4.320 0.019 0.000 0.218 312 A C 2.185 179.735 177.584 -0.057 0.000 1.188 312 A CA 2.087 54.035 52.037 -0.149 0.000 0.631 312 A CB -0.932 17.827 19.000 -0.400 0.000 0.822 312 A HN 0.471 nan 8.150 nan 0.000 0.447 313 E N -0.252 119.987 120.200 0.065 0.000 2.051 313 E HA -0.128 4.233 4.350 0.019 0.000 0.192 313 E C 2.153 178.780 176.600 0.045 0.000 0.991 313 E CA 1.136 57.592 56.400 0.095 0.000 0.799 313 E CB -0.315 29.480 29.700 0.158 0.000 0.748 313 E HN 0.522 nan 8.360 nan 0.000 0.449 314 A N 1.375 124.216 122.820 0.035 0.000 1.940 314 A HA -0.186 4.145 4.320 0.019 0.000 0.219 314 A C 2.129 179.711 177.584 -0.003 0.000 1.176 314 A CA 1.540 53.587 52.037 0.017 0.000 0.631 314 A CB -0.513 18.494 19.000 0.012 0.000 0.814 314 A HN 0.221 nan 8.150 nan 0.000 0.446 315 R N -1.539 118.948 120.500 -0.021 0.000 2.307 315 R HA 0.130 4.481 4.340 0.019 0.000 0.199 315 R C 1.261 177.541 176.300 -0.033 0.000 1.000 315 R CA 0.581 56.659 56.100 -0.036 0.000 1.023 315 R CB -0.184 30.079 30.300 -0.062 0.000 0.908 315 R HN 0.763 nan 8.270 nan 0.000 0.473 316 G N 0.788 109.576 108.800 -0.020 0.000 2.131 316 G HA2 -0.233 3.739 3.960 0.019 0.000 0.223 316 G HA3 -0.233 3.739 3.960 0.019 0.000 0.223 316 G C 0.194 175.080 174.900 -0.022 0.000 0.990 316 G CA -0.118 44.976 45.100 -0.011 0.000 0.671 316 G HN 0.119 nan 8.290 nan 0.000 0.521 317 V N 0.728 120.610 119.914 -0.052 0.000 2.673 317 V HA 0.337 4.468 4.120 0.019 0.000 0.303 317 V C 0.846 176.932 176.094 -0.014 0.000 1.046 317 V CA 0.690 62.942 62.300 -0.081 0.000 1.126 317 V CB 1.119 32.813 31.823 -0.215 0.000 0.934 317 V HN 0.413 nan 8.190 nan 0.000 0.487 318 K N 2.255 122.657 120.400 0.004 0.000 2.340 318 K HA 0.656 4.988 4.320 0.019 0.000 0.244 318 K C 0.826 177.463 176.600 0.063 0.000 0.973 318 K CA -0.264 56.046 56.287 0.038 0.000 0.828 318 K CB 1.844 34.368 32.500 0.040 0.000 1.226 318 K HN 0.892 nan 8.250 nan 0.000 0.437 319 G N 1.091 109.927 108.800 0.061 0.000 2.153 319 G HA2 -0.275 3.696 3.960 0.019 0.000 0.252 319 G HA3 -0.275 3.696 3.960 0.019 0.000 0.252 319 G C -0.513 174.433 174.900 0.076 0.000 0.994 319 G CA 0.086 45.248 45.100 0.104 0.000 0.698 319 G HN 0.440 nan 8.290 nan 0.000 0.521 320 F N 2.937 122.717 119.950 -0.284 0.000 2.335 320 F HA 0.603 5.135 4.527 0.008 0.000 0.365 320 F C 0.247 175.740 175.800 -0.510 0.000 1.122 320 F CA -1.481 56.362 58.000 -0.262 0.000 1.151 320 F CB 0.433 39.346 39.000 -0.145 0.000 1.282 320 F HN 0.205 nan 8.300 nan 0.000 0.513 321 H N 5.701 124.590 119.070 -0.300 0.000 2.490 321 H HA 0.248 4.815 4.556 0.018 0.000 0.230 321 H C -2.399 172.693 175.328 -0.392 0.000 1.417 321 H CA -1.579 54.285 56.048 -0.307 0.000 1.449 321 H CB 0.337 30.036 29.762 -0.106 0.000 1.649 321 H HN 0.416 nan 8.280 nan 0.000 0.519 322 P HA 0.127 nan 4.420 nan 0.000 0.267 322 P C -0.039 176.945 177.300 -0.527 0.000 1.200 322 P CA -0.211 62.558 63.100 -0.553 0.000 0.772 322 P CB 0.897 32.228 31.700 -0.615 0.000 0.855 323 A N 2.576 125.142 122.820 -0.422 0.000 2.363 323 A HA 0.319 4.650 4.320 0.019 0.000 0.270 323 A C -0.560 176.839 177.584 -0.307 0.000 1.121 323 A CA -0.208 51.661 52.037 -0.281 0.000 0.800 323 A CB -0.304 18.615 19.000 -0.136 0.000 1.052 323 A HN 0.658 nan 8.150 nan 0.000 0.493 324 H N 1.077 120.204 119.070 0.095 0.000 2.511 324 H HA 0.609 5.175 4.556 0.016 0.000 0.328 324 H C -0.483 174.988 175.328 0.238 0.000 1.044 324 H CA -0.141 56.072 56.048 0.275 0.000 1.212 324 H CB 1.457 31.417 29.762 0.330 0.000 1.428 324 H HN 0.684 nan 8.280 nan 0.000 0.483 325 M N 3.018 122.853 119.600 0.392 0.000 2.484 325 M HA 0.405 4.896 4.480 0.019 0.000 0.289 325 M C -0.996 175.461 176.300 0.261 0.000 1.206 325 M CA -0.495 54.956 55.300 0.253 0.000 0.892 325 M CB 2.811 35.517 32.600 0.177 0.000 1.712 325 M HN 0.381 nan 8.290 nan 0.000 0.462 326 I N 1.536 122.179 120.570 0.123 0.000 2.353 326 I HA 0.263 4.444 4.170 0.019 0.000 0.293 326 I C -0.615 175.425 176.117 -0.129 0.000 0.992 326 I CA -0.077 61.274 61.300 0.085 0.000 1.268 326 I CB 0.994 39.018 38.000 0.041 0.000 1.387 326 I HN 0.584 nan 8.210 nan 0.000 0.478 327 D N 7.123 127.467 120.400 -0.093 0.000 2.420 327 D HA 0.364 5.015 4.640 0.019 0.000 0.255 327 D C -0.940 175.328 176.300 -0.053 0.000 1.185 327 D CA -0.217 53.724 54.000 -0.098 0.000 0.904 327 D CB 0.756 41.442 40.800 -0.189 0.000 1.102 327 D HN 0.482 nan 8.370 nan 0.000 0.534 328 Q N 1.412 121.085 119.800 -0.213 0.000 2.501 328 Q HA 0.574 4.925 4.340 0.019 0.000 0.288 328 Q C -1.177 174.416 176.000 -0.678 0.000 1.051 328 Q CA -0.915 54.721 55.803 -0.279 0.000 0.788 328 Q CB 2.327 30.959 28.738 -0.177 0.000 1.469 328 Q HN 0.266 nan 8.270 nan 0.000 0.416 329 F N 0.327 120.064 119.950 -0.354 0.000 2.547 329 F HA 0.376 4.914 4.527 0.020 0.000 0.316 329 F C -0.740 174.762 175.800 -0.496 0.000 1.121 329 F CA -0.580 57.227 58.000 -0.322 0.000 0.911 329 F CB 1.679 40.644 39.000 -0.057 0.000 1.179 329 F HN 0.473 nan 8.300 nan 0.000 0.443 330 H N 2.498 121.709 119.070 0.236 0.000 2.673 330 H HA 0.355 4.922 4.556 0.018 0.000 0.293 330 H C 0.165 175.598 175.328 0.174 0.000 1.065 330 H CA -0.553 55.591 56.048 0.160 0.000 1.236 330 H CB 0.538 30.353 29.762 0.089 0.000 1.389 330 H HN 0.416 nan 8.280 nan 0.000 0.481 331 N N 1.852 120.692 118.700 0.234 0.000 2.405 331 N HA -0.050 4.701 4.740 0.019 0.000 0.175 331 N C 0.977 176.615 175.510 0.213 0.000 1.051 331 N CA 0.706 53.888 53.050 0.220 0.000 0.899 331 N CB 0.893 39.503 38.487 0.204 0.000 1.000 331 N HN 0.490 nan 8.380 nan 0.000 0.451 332 V N -2.271 117.749 119.914 0.177 0.000 3.017 332 V HA 0.446 4.577 4.120 0.019 0.000 0.354 332 V C -0.012 176.146 176.094 0.107 0.000 1.389 332 V CA -0.301 62.074 62.300 0.124 0.000 1.163 332 V CB -0.156 31.718 31.823 0.085 0.000 1.178 332 V HN 0.143 nan 8.190 nan 0.000 0.547 333 T N -3.821 110.811 114.554 0.129 0.000 2.812 333 T HA 0.461 4.823 4.350 0.019 0.000 0.294 333 T C -1.210 173.542 174.700 0.088 0.000 1.159 333 T CA -0.328 61.829 62.100 0.093 0.000 1.008 333 T CB 2.060 70.973 68.868 0.075 0.000 1.289 333 T HN 0.157 nan 8.240 nan 0.000 0.514 334 D N 1.408 121.841 120.400 0.056 0.000 2.346 334 D HA 0.242 4.893 4.640 0.019 0.000 0.260 334 D C -1.512 174.757 176.300 -0.053 0.000 1.252 334 D CA -1.896 52.135 54.000 0.052 0.000 0.895 334 D CB 1.338 42.197 40.800 0.099 0.000 1.097 334 D HN 0.109 nan 8.370 nan 0.000 0.489 335 P HA -0.196 nan 4.420 nan 0.000 0.216 335 P C 1.679 178.780 177.300 -0.332 0.000 1.154 335 P CA 0.795 63.791 63.100 -0.174 0.000 0.865 335 P CB 0.274 31.999 31.700 0.041 0.000 0.789 336 I N -0.263 120.167 120.570 -0.233 0.000 2.226 336 I HA -0.206 3.975 4.170 0.019 0.000 0.245 336 I C 2.112 177.945 176.117 -0.473 0.000 1.100 336 I CA 1.679 62.764 61.300 -0.357 0.000 1.374 336 I CB -1.638 36.100 38.000 -0.437 0.000 1.057 336 I HN 0.155 nan 8.210 nan 0.000 0.413 337 E N 0.586 120.511 120.200 -0.458 0.000 2.051 337 E HA -0.158 4.204 4.350 0.019 0.000 0.192 337 E C 2.359 178.803 176.600 -0.259 0.000 0.991 337 E CA 1.558 57.748 56.400 -0.351 0.000 0.799 337 E CB -0.124 29.466 29.700 -0.183 0.000 0.748 337 E HN 0.349 nan 8.360 nan 0.000 0.449 338 S N 1.090 116.613 115.700 -0.295 0.000 2.368 338 S HA -0.106 4.375 4.470 0.019 0.000 0.225 338 S C 2.057 176.489 174.600 -0.280 0.000 1.030 338 S CA 0.785 58.817 58.200 -0.280 0.000 0.999 338 S CB -0.186 62.770 63.200 -0.407 0.000 0.844 338 S HN 0.175 nan 8.310 nan 0.000 0.459 339 L N 0.809 121.793 121.223 -0.398 0.000 2.083 339 L HA -0.106 4.246 4.340 0.019 0.000 0.209 339 L C 2.182 178.954 176.870 -0.162 0.000 1.083 339 L CA 1.016 55.717 54.840 -0.233 0.000 0.752 339 L CB -0.511 41.407 42.059 -0.234 0.000 0.899 339 L HN 0.313 nan 8.230 nan 0.000 0.433 340 I N 0.011 120.463 120.570 -0.197 0.000 2.142 340 I HA -0.317 3.864 4.170 0.019 0.000 0.240 340 I C 2.124 178.181 176.117 -0.101 0.000 1.078 340 I CA 1.364 62.573 61.300 -0.152 0.000 1.343 340 I CB -0.306 37.580 38.000 -0.190 0.000 1.046 340 I HN 0.344 nan 8.210 nan 0.000 0.405 341 N N 0.270 118.911 118.700 -0.097 0.000 2.331 341 N HA -0.093 4.658 4.740 0.019 0.000 0.180 341 N C 1.939 177.422 175.510 -0.044 0.000 1.019 341 N CA 0.996 54.010 53.050 -0.061 0.000 0.881 341 N CB -0.174 38.285 38.487 -0.048 0.000 0.972 341 N HN 0.206 nan 8.380 nan 0.000 0.435 342 S N 0.624 116.300 115.700 -0.040 0.000 2.371 342 S HA 0.008 4.489 4.470 0.019 0.000 0.224 342 S C 2.082 176.663 174.600 -0.032 0.000 1.029 342 S CA 0.945 59.138 58.200 -0.011 0.000 0.978 342 S CB -0.227 62.990 63.200 0.030 0.000 0.833 342 S HN 0.474 nan 8.310 nan 0.000 0.466 343 A N 2.266 125.064 122.820 -0.036 0.000 1.933 343 A HA -0.161 4.171 4.320 0.019 0.000 0.218 343 A C 1.847 179.404 177.584 -0.046 0.000 1.175 343 A CA 1.657 53.678 52.037 -0.026 0.000 0.628 343 A CB -0.862 18.128 19.000 -0.016 0.000 0.814 343 A HN 0.621 nan 8.150 nan 0.000 0.444 344 N N -0.886 117.783 118.700 -0.052 0.000 2.120 344 N HA -0.189 4.563 4.740 0.019 0.000 0.188 344 N C 1.834 177.289 175.510 -0.091 0.000 1.024 344 N CA 1.295 54.309 53.050 -0.060 0.000 0.852 344 N CB -0.136 38.322 38.487 -0.049 0.000 1.003 344 N HN 0.548 nan 8.380 nan 0.000 0.424 345 E N 1.323 121.473 120.200 -0.083 0.000 2.110 345 E HA -0.064 4.297 4.350 0.019 0.000 0.193 345 E C 1.700 178.202 176.600 -0.163 0.000 0.988 345 E CA 0.869 57.216 56.400 -0.088 0.000 0.804 345 E CB -0.064 29.613 29.700 -0.039 0.000 0.745 345 E HN 0.360 nan 8.360 nan 0.000 0.458 346 I N -0.186 120.253 120.570 -0.218 0.000 2.315 346 I HA -0.194 3.987 4.170 0.019 0.000 0.248 346 I C 2.481 178.207 176.117 -0.651 0.000 1.117 346 I CA 0.865 61.920 61.300 -0.408 0.000 1.404 346 I CB -0.201 37.564 38.000 -0.391 0.000 1.071 346 I HN 0.033 nan 8.210 nan 0.000 0.419 347 R N 0.265 120.511 120.500 -0.423 0.000 2.115 347 R HA -0.116 4.235 4.340 0.019 0.000 0.230 347 R C 2.425 178.514 176.300 -0.351 0.000 1.111 347 R CA 0.855 56.700 56.100 -0.425 0.000 0.976 347 R CB -0.220 29.985 30.300 -0.159 0.000 0.870 347 R HN 0.303 nan 8.270 nan 0.000 0.445 348 R N 0.534 120.878 120.500 -0.260 0.000 2.073 348 R HA -0.118 4.234 4.340 0.019 0.000 0.234 348 R C 2.098 178.282 176.300 -0.194 0.000 1.134 348 R CA 1.629 57.618 56.100 -0.185 0.000 0.952 348 R CB -0.221 30.006 30.300 -0.122 0.000 0.850 348 R HN 0.183 nan 8.270 nan 0.000 0.433 349 A N 0.035 122.716 122.820 -0.233 0.000 1.902 349 A HA -0.220 4.111 4.320 0.019 0.000 0.217 349 A C 2.010 179.388 177.584 -0.343 0.000 1.181 349 A CA 1.349 53.319 52.037 -0.111 0.000 0.623 349 A CB -0.859 18.125 19.000 -0.027 0.000 0.818 349 A HN 0.627 nan 8.150 nan 0.000 0.443 350 Y N 0.759 120.402 120.300 -1.095 0.000 2.145 350 Y HA -0.078 4.486 4.550 0.023 0.000 0.286 350 Y C 2.618 178.235 175.900 -0.471 0.000 1.145 350 Y CA 1.156 58.581 58.100 -1.126 0.000 1.148 350 Y CB -0.744 36.708 38.460 -1.680 0.000 0.981 350 Y HN 0.295 nan 8.280 nan 0.000 0.507 351 A N 0.268 122.791 122.820 -0.494 0.000 1.908 351 A HA -0.268 4.063 4.320 0.019 0.000 0.218 351 A C 2.120 179.560 177.584 -0.240 0.000 1.181 351 A CA 2.080 53.884 52.037 -0.387 0.000 0.627 351 A CB -0.783 18.083 19.000 -0.223 0.000 0.818 351 A HN 0.688 nan 8.150 nan 0.000 0.445 352 Q N -0.777 118.963 119.800 -0.099 0.000 2.119 352 Q HA -0.018 4.333 4.340 0.019 0.000 0.201 352 Q C 2.388 178.537 176.000 0.248 0.000 0.972 352 Q CA 1.213 57.055 55.803 0.065 0.000 0.847 352 Q CB -0.381 28.420 28.738 0.105 0.000 0.903 352 Q HN 0.682 nan 8.270 nan 0.000 0.433 353 A N 0.914 123.853 122.820 0.198 0.000 1.972 353 A HA -0.152 4.179 4.320 0.019 0.000 0.219 353 A C 2.000 179.562 177.584 -0.037 0.000 1.169 353 A CA 1.054 53.132 52.037 0.067 0.000 0.635 353 A CB -0.612 18.336 19.000 -0.086 0.000 0.810 353 A HN 0.306 nan 8.150 nan 0.000 0.446 354 L N -0.742 120.366 121.223 -0.192 0.000 2.275 354 L HA -0.088 4.264 4.340 0.019 0.000 0.215 354 L C 1.997 178.814 176.870 -0.087 0.000 1.119 354 L CA 0.577 55.298 54.840 -0.198 0.000 0.790 354 L CB -0.370 41.476 42.059 -0.355 0.000 0.919 354 L HN 0.378 nan 8.230 nan 0.000 0.443 355 L N -0.895 120.302 121.223 -0.043 0.000 2.492 355 L HA 0.038 4.389 4.340 0.019 0.000 0.223 355 L C 0.781 177.670 176.870 0.032 0.000 1.132 355 L CA -0.309 54.521 54.840 -0.016 0.000 0.850 355 L CB -0.107 41.937 42.059 -0.025 0.000 0.966 355 L HN -0.054 nan 8.230 nan 0.000 0.454 356 V N 1.271 121.230 119.914 0.076 0.000 2.617 356 V HA -0.126 4.005 4.120 0.019 0.000 0.304 356 V C 0.498 176.627 176.094 0.058 0.000 1.040 356 V CA 0.160 62.521 62.300 0.102 0.000 1.149 356 V CB 0.538 32.436 31.823 0.125 0.000 0.914 356 V HN 0.154 nan 8.190 nan 0.000 0.487 357 D N 5.516 125.954 120.400 0.063 0.000 2.402 357 D HA 0.081 4.732 4.640 0.019 0.000 0.235 357 D C 1.337 177.661 176.300 0.041 0.000 1.226 357 D CA -0.302 53.723 54.000 0.042 0.000 0.918 357 D CB 0.523 41.352 40.800 0.048 0.000 1.043 357 D HN 0.354 nan 8.370 nan 0.000 0.506 358 R N 2.894 123.409 120.500 0.025 0.000 2.096 358 R HA -0.119 4.233 4.340 0.019 0.000 0.235 358 R C 1.793 178.093 176.300 -0.001 0.000 1.127 358 R CA 1.170 57.280 56.100 0.017 0.000 0.968 358 R CB -0.817 29.488 30.300 0.009 0.000 0.861 358 R HN 0.487 nan 8.270 nan 0.000 0.440 359 A N 1.331 124.142 122.820 -0.014 0.000 1.877 359 A HA -0.064 4.267 4.320 0.019 0.000 0.216 359 A C 2.435 179.972 177.584 -0.078 0.000 1.186 359 A CA 1.872 53.885 52.037 -0.040 0.000 0.620 359 A CB -0.629 18.348 19.000 -0.039 0.000 0.822 359 A HN 0.341 nan 8.150 nan 0.000 0.443 360 A N -0.537 122.241 122.820 -0.070 0.000 1.877 360 A HA -0.042 4.290 4.320 0.019 0.000 0.216 360 A C 2.149 179.652 177.584 -0.135 0.000 1.186 360 A CA 1.763 53.709 52.037 -0.151 0.000 0.620 360 A CB -0.702 18.294 19.000 -0.006 0.000 0.822 360 A HN 0.705 nan 8.150 nan 0.000 0.443 361 L N 0.009 121.263 121.223 0.052 0.000 2.042 361 L HA -0.135 4.216 4.340 0.019 0.000 0.210 361 L C 2.618 179.525 176.870 0.061 0.000 1.076 361 L CA 2.624 57.546 54.840 0.137 0.000 0.749 361 L CB -0.793 41.331 42.059 0.108 0.000 0.893 361 L HN 0.376 nan 8.230 nan 0.000 0.432 362 S N -0.689 115.009 115.700 -0.004 0.000 2.370 362 S HA -0.151 4.330 4.470 0.019 0.000 0.226 362 S C 2.055 176.627 174.600 -0.046 0.000 1.033 362 S CA 1.373 59.561 58.200 -0.020 0.000 1.011 362 S CB -0.881 62.300 63.200 -0.032 0.000 0.852 362 S HN 0.661 nan 8.310 nan 0.000 0.457 363 G N -0.720 108.000 108.800 -0.133 0.000 2.408 363 G HA2 -0.125 3.846 3.960 0.019 0.000 0.217 363 G HA3 -0.125 3.846 3.960 0.019 0.000 0.217 363 G C 1.138 175.962 174.900 -0.127 0.000 1.150 363 G CA 0.814 45.804 45.100 -0.183 0.000 0.776 363 G HN 0.588 nan 8.290 nan 0.000 0.542 364 Y N 0.916 121.219 120.300 0.005 0.000 2.293 364 Y HA -0.020 4.541 4.550 0.019 0.000 0.291 364 Y C 3.072 178.976 175.900 0.006 0.000 1.137 364 Y CA 1.005 59.109 58.100 0.007 0.000 1.202 364 Y CB -0.410 38.056 38.460 0.011 0.000 0.990 364 Y HN 0.289 nan 8.280 nan 0.000 0.537 365 Q N -0.402 119.485 119.800 0.144 0.000 2.083 365 Q HA -0.205 4.146 4.340 0.019 0.000 0.198 365 Q C 2.087 178.118 176.000 0.052 0.000 0.969 365 Q CA 1.508 57.360 55.803 0.082 0.000 0.838 365 Q CB -0.128 28.642 28.738 0.052 0.000 0.900 365 Q HN 0.323 nan 8.270 nan 0.000 0.436 366 E N 1.312 121.531 120.200 0.032 0.000 2.110 366 E HA -0.175 4.186 4.350 0.019 0.000 0.193 366 E C 0.854 177.470 176.600 0.025 0.000 0.988 366 E CA 1.287 57.697 56.400 0.016 0.000 0.804 366 E CB 0.033 29.731 29.700 -0.004 0.000 0.745 366 E HN 0.230 nan 8.360 nan 0.000 0.458 367 D N -0.177 120.249 120.400 0.043 0.000 2.340 367 D HA 0.023 4.674 4.640 0.019 0.000 0.220 367 D C -0.361 175.976 176.300 0.062 0.000 1.039 367 D CA 0.248 54.279 54.000 0.052 0.000 0.866 367 D CB -0.325 40.515 40.800 0.067 0.000 0.913 367 D HN 0.271 nan 8.370 nan 0.000 0.523 368 N N 1.379 120.117 118.700 0.063 0.000 2.740 368 N HA -0.178 4.573 4.740 0.019 0.000 0.248 368 N C -0.704 174.839 175.510 0.054 0.000 1.062 368 N CA 0.355 53.436 53.050 0.051 0.000 0.704 368 N CB -0.614 37.893 38.487 0.032 0.000 0.968 368 N HN 0.082 nan 8.380 nan 0.000 0.547 369 D N 0.027 120.479 120.400 0.087 0.000 2.564 369 D HA 0.455 5.107 4.640 0.019 0.000 0.226 369 D C 1.087 177.386 176.300 -0.001 0.000 1.149 369 D CA 0.259 54.292 54.000 0.054 0.000 0.994 369 D CB 0.200 41.080 40.800 0.133 0.000 1.029 369 D HN 0.372 nan 8.370 nan 0.000 0.517 370 A N 3.464 126.281 122.820 -0.004 0.000 1.908 370 A HA -0.191 4.140 4.320 0.019 0.000 0.218 370 A C 2.099 179.653 177.584 -0.050 0.000 1.181 370 A CA 1.060 53.089 52.037 -0.013 0.000 0.627 370 A CB -0.535 18.463 19.000 -0.003 0.000 0.818 370 A HN 0.604 nan 8.150 nan 0.000 0.445 371 L N -1.406 119.774 121.223 -0.073 0.000 2.017 371 L HA -0.183 4.168 4.340 0.019 0.000 0.208 371 L C 2.502 179.266 176.870 -0.176 0.000 1.073 371 L CA 1.773 56.556 54.840 -0.095 0.000 0.745 371 L CB -0.213 41.796 42.059 -0.083 0.000 0.894 371 L HN 0.285 nan 8.230 nan 0.000 0.432 372 M N -0.620 118.787 119.600 -0.323 0.000 2.229 372 M HA -0.085 4.406 4.480 0.019 0.000 0.264 372 M C 2.420 178.382 176.300 -0.564 0.000 1.063 372 M CA 1.541 56.456 55.300 -0.642 0.000 1.114 372 M CB -1.487 30.305 32.600 -1.346 0.000 1.387 372 M HN 0.462 nan 8.290 nan 0.000 0.420 373 A N -0.709 121.937 122.820 -0.291 0.000 1.877 373 A HA -0.164 4.167 4.320 0.019 0.000 0.216 373 A C 2.391 179.983 177.584 0.014 0.000 1.186 373 A CA 2.400 54.429 52.037 -0.013 0.000 0.620 373 A CB -1.188 17.853 19.000 0.068 0.000 0.822 373 A HN 0.432 nan 8.150 nan 0.000 0.443 374 T N -1.060 113.489 114.554 -0.007 0.000 2.867 374 T HA -0.118 4.243 4.350 0.019 0.000 0.268 374 T C 1.900 176.623 174.700 0.038 0.000 1.057 374 T CA 1.792 63.919 62.100 0.044 0.000 1.136 374 T CB -0.228 68.662 68.868 0.037 0.000 0.874 374 T HN 0.581 nan 8.240 nan 0.000 0.466 375 E N 0.437 120.618 120.200 -0.033 0.000 2.204 375 E HA -0.059 4.302 4.350 0.019 0.000 0.194 375 E C 2.109 178.711 176.600 0.004 0.000 0.989 375 E CA 1.442 57.820 56.400 -0.036 0.000 0.824 375 E CB -0.617 29.029 29.700 -0.091 0.000 0.756 375 E HN 0.401 nan 8.360 nan 0.000 0.477 376 T N 0.578 115.146 114.554 0.025 0.000 2.821 376 T HA -0.076 4.285 4.350 0.019 0.000 0.267 376 T C 1.444 176.226 174.700 0.137 0.000 1.046 376 T CA 0.940 63.101 62.100 0.101 0.000 1.139 376 T CB -0.173 68.806 68.868 0.185 0.000 0.871 376 T HN 0.075 nan 8.240 nan 0.000 0.454 377 L N 0.982 122.308 121.223 0.171 0.000 2.072 377 L HA 0.077 4.428 4.340 0.019 0.000 0.205 377 L C 2.318 179.334 176.870 0.242 0.000 1.079 377 L CA 1.617 56.636 54.840 0.297 0.000 0.752 377 L CB -0.502 41.769 42.059 0.353 0.000 0.906 377 L HN -0.019 nan 8.230 nan 0.000 0.436 378 K N -0.328 120.156 120.400 0.140 0.000 2.097 378 K HA -0.090 4.241 4.320 0.019 0.000 0.206 378 K C 2.145 178.740 176.600 -0.008 0.000 1.049 378 K CA 1.006 57.318 56.287 0.041 0.000 0.933 378 K CB -0.275 32.216 32.500 -0.016 0.000 0.717 378 K HN 0.329 nan 8.250 nan 0.000 0.442 379 R N 0.226 120.731 120.500 0.008 0.000 2.152 379 R HA -0.080 4.272 4.340 0.019 0.000 0.232 379 R C 2.224 178.502 176.300 -0.035 0.000 1.117 379 R CA 1.205 57.294 56.100 -0.018 0.000 0.981 379 R CB -0.227 30.076 30.300 0.005 0.000 0.870 379 R HN 0.159 nan 8.270 nan 0.000 0.451 380 A N 0.221 123.042 122.820 0.002 0.000 1.855 380 A HA -0.161 4.170 4.320 0.019 0.000 0.213 380 A C 1.922 179.410 177.584 -0.159 0.000 1.195 380 A CA 0.762 52.795 52.037 -0.006 0.000 0.610 380 A CB -0.738 18.362 19.000 0.167 0.000 0.837 380 A HN 0.378 nan 8.150 nan 0.000 0.444 381 Y N 1.038 121.027 120.300 -0.519 0.000 2.165 381 Y HA -0.187 4.372 4.550 0.015 0.000 0.286 381 Y C 2.340 178.005 175.900 -0.393 0.000 1.155 381 Y CA 1.984 59.622 58.100 -0.770 0.000 1.164 381 Y CB -0.239 37.624 38.460 -0.995 0.000 0.978 381 Y HN 0.235 nan 8.280 nan 0.000 0.513 382 R N -0.268 120.002 120.500 -0.383 0.000 2.285 382 R HA -0.021 4.331 4.340 0.019 0.000 0.213 382 R C 0.375 176.486 176.300 -0.315 0.000 1.068 382 R CA 0.927 56.800 56.100 -0.378 0.000 1.004 382 R CB -0.612 29.566 30.300 -0.204 0.000 0.873 382 R HN 0.179 nan 8.270 nan 0.000 0.467 383 T N 1.672 116.066 114.554 -0.267 0.000 2.853 383 T HA -0.033 4.328 4.350 0.019 0.000 0.298 383 T C -0.101 174.464 174.700 -0.224 0.000 0.978 383 T CA -0.102 61.877 62.100 -0.203 0.000 1.152 383 T CB 0.916 69.691 68.868 -0.155 0.000 0.914 383 T HN -0.012 nan 8.240 nan 0.000 0.539 384 D N 3.414 123.703 120.400 -0.184 0.000 2.374 384 D HA 0.083 4.735 4.640 0.019 0.000 0.240 384 D C 1.140 177.358 176.300 -0.137 0.000 1.229 384 D CA -0.660 53.240 54.000 -0.165 0.000 0.895 384 D CB 0.420 41.141 40.800 -0.133 0.000 1.046 384 D HN 0.362 nan 8.370 nan 0.000 0.498 385 V N 1.672 121.503 119.914 -0.138 0.000 3.646 385 V HA 0.102 4.234 4.120 0.019 0.000 0.277 385 V C 1.715 177.764 176.094 -0.076 0.000 1.274 385 V CA 0.083 62.316 62.300 -0.112 0.000 1.164 385 V CB 0.014 31.764 31.823 -0.122 0.000 0.926 385 V HN 0.265 nan 8.190 nan 0.000 0.442 386 E N 2.533 122.691 120.200 -0.071 0.000 2.097 386 E HA -0.129 4.232 4.350 0.019 0.000 0.196 386 E C -0.128 176.472 176.600 -0.001 0.000 1.000 386 E CA 2.387 58.762 56.400 -0.042 0.000 0.804 386 E CB -1.491 28.183 29.700 -0.044 0.000 0.740 386 E HN 0.506 nan 8.360 nan 0.000 0.454 387 P HA -0.130 nan 4.420 nan 0.000 0.216 387 P C 1.249 178.672 177.300 0.205 0.000 1.150 387 P CA 1.383 64.544 63.100 0.103 0.000 0.837 387 P CB -0.045 31.697 31.700 0.071 0.000 0.786 388 I N -1.885 118.760 120.570 0.124 0.000 2.202 388 I HA -0.212 3.969 4.170 0.019 0.000 0.242 388 I C 1.924 178.098 176.117 0.094 0.000 1.091 388 I CA 1.143 62.541 61.300 0.163 0.000 1.368 388 I CB -0.669 37.352 38.000 0.036 0.000 1.058 388 I HN -0.096 nan 8.210 nan 0.000 0.410 389 L N 0.922 122.163 121.223 0.031 0.000 2.017 389 L HA -0.173 4.178 4.340 0.019 0.000 0.208 389 L C 2.741 179.621 176.870 0.017 0.000 1.073 389 L CA 2.200 57.046 54.840 0.009 0.000 0.745 389 L CB -1.438 40.608 42.059 -0.022 0.000 0.894 389 L HN 0.201 nan 8.230 nan 0.000 0.432 390 A N -0.840 121.993 122.820 0.021 0.000 1.902 390 A HA -0.238 4.093 4.320 0.019 0.000 0.217 390 A C 2.331 179.911 177.584 -0.006 0.000 1.181 390 A CA 1.755 53.797 52.037 0.009 0.000 0.623 390 A CB -0.539 18.468 19.000 0.012 0.000 0.818 390 A HN 0.403 nan 8.150 nan 0.000 0.443 391 E N 0.302 120.499 120.200 -0.006 0.000 2.072 391 E HA -0.044 4.317 4.350 0.019 0.000 0.191 391 E C 1.997 178.559 176.600 -0.063 0.000 0.985 391 E CA 1.559 57.898 56.400 -0.103 0.000 0.801 391 E CB -0.496 29.034 29.700 -0.284 0.000 0.750 391 E HN 0.454 nan 8.360 nan 0.000 0.452 392 A N 0.880 123.698 122.820 -0.003 0.000 1.908 392 A HA -0.213 4.119 4.320 0.019 0.000 0.218 392 A C 2.239 179.833 177.584 0.016 0.000 1.181 392 A CA 1.763 53.809 52.037 0.015 0.000 0.627 392 A CB -0.499 18.524 19.000 0.039 0.000 0.818 392 A HN 0.216 nan 8.150 nan 0.000 0.445 393 R N -1.134 119.374 120.500 0.014 0.000 2.070 393 R HA -0.121 4.230 4.340 0.019 0.000 0.232 393 R C 2.576 178.878 176.300 0.004 0.000 1.138 393 R CA 1.526 57.636 56.100 0.016 0.000 0.936 393 R CB -0.408 29.898 30.300 0.010 0.000 0.839 393 R HN 0.555 nan 8.270 nan 0.000 0.429 394 R N 1.149 121.640 120.500 -0.016 0.000 2.096 394 R HA -0.162 4.190 4.340 0.019 0.000 0.240 394 R C 2.159 178.443 176.300 -0.026 0.000 1.139 394 R CA 1.725 57.809 56.100 -0.027 0.000 0.952 394 R CB -0.080 30.189 30.300 -0.051 0.000 0.854 394 R HN 0.181 nan 8.270 nan 0.000 0.436 395 R N -0.719 119.760 120.500 -0.034 0.000 2.189 395 R HA -0.046 4.305 4.340 0.019 0.000 0.223 395 R C 1.460 177.761 176.300 0.002 0.000 1.092 395 R CA 1.587 57.671 56.100 -0.027 0.000 0.989 395 R CB 0.077 30.354 30.300 -0.038 0.000 0.876 395 R HN 0.389 nan 8.270 nan 0.000 0.457 396 T N -3.856 110.709 114.554 0.018 0.000 3.134 396 T HA 0.310 4.672 4.350 0.019 0.000 0.260 396 T C 1.079 175.804 174.700 0.041 0.000 1.027 396 T CA 0.231 62.354 62.100 0.038 0.000 0.913 396 T CB 1.195 70.101 68.868 0.063 0.000 1.046 396 T HN 0.312 nan 8.240 nan 0.000 0.553 397 G N 0.066 108.885 108.800 0.031 0.000 2.159 397 G HA2 -0.031 3.941 3.960 0.019 0.000 0.227 397 G HA3 -0.031 3.941 3.960 0.019 0.000 0.227 397 G C 0.437 175.362 174.900 0.043 0.000 0.986 397 G CA -0.286 44.840 45.100 0.043 0.000 0.651 397 G HN 0.987 nan 8.290 nan 0.000 0.523 398 G N -0.431 108.386 108.800 0.029 0.000 2.583 398 G HA2 0.843 4.814 3.960 0.019 0.000 0.280 398 G HA3 0.843 4.814 3.960 0.019 0.000 0.280 398 G C 0.188 175.095 174.900 0.012 0.000 1.376 398 G CA 0.207 45.321 45.100 0.024 0.000 1.043 398 G HN 1.507 nan 8.290 nan 0.000 0.538 399 A N -1.392 121.434 122.820 0.010 0.000 2.324 399 A HA 0.575 4.907 4.320 0.019 0.000 0.330 399 A C 1.119 178.704 177.584 0.001 0.000 1.165 399 A CA -0.499 51.542 52.037 0.006 0.000 0.813 399 A CB 1.681 20.689 19.000 0.014 0.000 1.197 399 A HN 0.650 nan 8.150 nan 0.000 0.484 400 V N 1.102 121.014 119.914 -0.004 0.000 2.343 400 V HA -0.095 4.036 4.120 0.019 0.000 0.247 400 V C 0.774 176.867 176.094 -0.002 0.000 1.051 400 V CA 2.405 64.701 62.300 -0.006 0.000 1.036 400 V CB -0.283 31.534 31.823 -0.010 0.000 0.654 400 V HN 0.887 nan 8.190 nan 0.000 0.451 401 D N -1.497 118.904 120.400 0.002 0.000 2.408 401 D HA 0.240 4.891 4.640 0.019 0.000 0.261 401 D C -1.984 174.324 176.300 0.014 0.000 1.190 401 D CA -2.010 51.993 54.000 0.005 0.000 0.910 401 D CB 1.938 42.742 40.800 0.007 0.000 1.097 401 D HN 0.053 nan 8.370 nan 0.000 0.522 402 P HA -0.186 nan 4.420 nan 0.000 0.214 402 P C 1.675 179.003 177.300 0.046 0.000 1.169 402 P CA 0.778 63.886 63.100 0.013 0.000 0.908 402 P CB 0.456 32.144 31.700 -0.020 0.000 0.791 403 V N -0.215 119.716 119.914 0.029 0.000 2.407 403 V HA -0.260 3.871 4.120 0.019 0.000 0.248 403 V C 2.460 178.628 176.094 0.124 0.000 1.055 403 V CA 2.200 64.544 62.300 0.073 0.000 1.049 403 V CB -1.787 30.054 31.823 0.029 0.000 0.662 403 V HN 0.116 nan 8.190 nan 0.000 0.455 404 A N -0.183 122.680 122.820 0.071 0.000 1.877 404 A HA -0.215 4.116 4.320 0.019 0.000 0.216 404 A C 2.412 180.033 177.584 0.061 0.000 1.186 404 A CA 2.493 54.564 52.037 0.057 0.000 0.620 404 A CB -0.966 18.052 19.000 0.030 0.000 0.822 404 A HN 0.494 nan 8.150 nan 0.000 0.443 405 T N -1.538 113.054 114.554 0.064 0.000 2.777 405 T HA -0.147 4.214 4.350 0.019 0.000 0.266 405 T C 1.783 176.533 174.700 0.082 0.000 1.040 405 T CA 1.567 63.700 62.100 0.056 0.000 1.141 405 T CB -0.438 68.457 68.868 0.046 0.000 0.868 405 T HN 0.567 nan 8.240 nan 0.000 0.444 406 Y N 2.381 122.677 120.300 -0.006 0.000 2.128 406 Y HA -0.181 4.381 4.550 0.019 0.000 0.284 406 Y C 2.444 178.365 175.900 0.035 0.000 1.154 406 Y CA 1.376 59.476 58.100 -0.000 0.000 1.149 406 Y CB -0.195 38.254 38.460 -0.020 0.000 0.976 406 Y HN 0.016 nan 8.280 nan 0.000 0.505 407 R N -0.136 120.370 120.500 0.009 0.000 2.092 407 R HA -0.072 4.279 4.340 0.019 0.000 0.231 407 R C 2.506 178.759 176.300 -0.079 0.000 1.119 407 R CA 1.011 57.063 56.100 -0.079 0.000 0.970 407 R CB -0.651 29.671 30.300 0.036 0.000 0.864 407 R HN 0.437 nan 8.270 nan 0.000 0.440 408 A N 1.229 124.030 122.820 -0.031 0.000 2.019 408 A HA -0.177 4.154 4.320 0.019 0.000 0.219 408 A C 2.203 179.764 177.584 -0.038 0.000 1.164 408 A CA 1.862 53.884 52.037 -0.025 0.000 0.644 408 A CB -0.444 18.552 19.000 -0.006 0.000 0.805 408 A HN 0.437 nan 8.150 nan 0.000 0.449 409 S N -1.535 114.132 115.700 -0.054 0.000 2.436 409 S HA 0.285 4.767 4.470 0.019 0.000 0.228 409 S C 1.580 176.149 174.600 -0.051 0.000 1.014 409 S CA 1.252 59.430 58.200 -0.036 0.000 0.950 409 S CB -0.651 62.542 63.200 -0.011 0.000 0.784 409 S HN 1.968 nan 8.310 nan 0.000 0.504 410 G N 0.369 109.100 108.800 -0.115 0.000 2.160 410 G HA2 -0.380 3.591 3.960 0.019 0.000 0.251 410 G HA3 -0.380 3.591 3.960 0.019 0.000 0.251 410 G C 0.218 175.053 174.900 -0.108 0.000 1.008 410 G CA 0.481 45.515 45.100 -0.110 0.000 0.724 410 G HN 0.625 nan 8.290 nan 0.000 0.514 411 Y N 0.857 120.987 120.300 -0.283 0.000 2.114 411 Y HA -0.209 4.352 4.550 0.020 0.000 0.282 411 Y C 2.790 178.612 175.900 -0.130 0.000 1.165 411 Y CA 2.830 60.814 58.100 -0.194 0.000 1.148 411 Y CB -0.171 38.171 38.460 -0.197 0.000 0.972 411 Y HN 0.340 nan 8.280 nan 0.000 0.504 412 R N 0.894 121.326 120.500 -0.112 0.000 2.083 412 R HA -0.141 4.210 4.340 0.019 0.000 0.237 412 R C 2.253 178.497 176.300 -0.093 0.000 1.137 412 R CA 1.822 57.903 56.100 -0.031 0.000 0.951 412 R CB -1.210 29.129 30.300 0.065 0.000 0.851 412 R HN 0.411 nan 8.270 nan 0.000 0.434 413 A N 0.692 123.455 122.820 -0.096 0.000 1.969 413 A HA -0.131 4.200 4.320 0.019 0.000 0.218 413 A C 2.246 179.767 177.584 -0.105 0.000 1.169 413 A CA 1.466 53.458 52.037 -0.075 0.000 0.635 413 A CB -0.621 18.344 19.000 -0.059 0.000 0.810 413 A HN 0.439 nan 8.150 nan 0.000 0.445 414 R N 0.354 120.757 120.500 -0.161 0.000 2.070 414 R HA -0.130 4.222 4.340 0.019 0.000 0.233 414 R C 2.003 178.176 176.300 -0.212 0.000 1.137 414 R CA 2.351 58.341 56.100 -0.182 0.000 0.945 414 R CB -0.629 29.535 30.300 -0.226 0.000 0.845 414 R HN 0.468 nan 8.270 nan 0.000 0.430 415 V N -1.310 118.405 119.914 -0.332 0.000 2.626 415 V HA 0.030 4.161 4.120 0.019 0.000 0.252 415 V C 2.374 178.401 176.094 -0.113 0.000 1.067 415 V CA 1.450 63.599 62.300 -0.252 0.000 1.081 415 V CB -0.972 30.658 31.823 -0.322 0.000 0.686 415 V HN 0.403 nan 8.190 nan 0.000 0.468 416 A N 0.895 123.661 122.820 -0.090 0.000 1.898 416 A HA 0.118 4.449 4.320 0.019 0.000 0.216 416 A C 2.454 180.019 177.584 -0.033 0.000 1.181 416 A CA 2.096 54.111 52.037 -0.037 0.000 0.620 416 A CB -0.921 18.065 19.000 -0.024 0.000 0.819 416 A HN 0.873 nan 8.150 nan 0.000 0.442 417 A N -0.166 122.626 122.820 -0.047 0.000 1.968 417 A HA -0.091 4.241 4.320 0.019 0.000 0.217 417 A C 1.868 179.434 177.584 -0.030 0.000 1.169 417 A CA 1.427 53.444 52.037 -0.034 0.000 0.638 417 A CB -0.381 18.596 19.000 -0.039 0.000 0.812 417 A HN 0.639 nan 8.150 nan 0.000 0.446 418 E N -0.401 119.773 120.200 -0.043 0.000 2.216 418 E HA -0.022 4.339 4.350 0.019 0.000 0.192 418 E C 0.401 176.993 176.600 -0.013 0.000 0.988 418 E CA 0.281 56.662 56.400 -0.030 0.000 0.834 418 E CB 0.078 29.752 29.700 -0.044 0.000 0.772 418 E HN 0.502 nan 8.360 nan 0.000 0.479 419 R N 1.262 121.755 120.500 -0.012 0.000 2.604 419 R HA 0.334 4.686 4.340 0.019 0.000 0.287 419 R C -2.471 173.836 176.300 0.012 0.000 0.970 419 R CA -2.088 54.017 56.100 0.008 0.000 0.946 419 R CB 0.699 31.008 30.300 0.016 0.000 1.127 419 R HN -0.118 nan 8.270 nan 0.000 0.473 420 P HA -0.002 nan 4.420 nan 0.000 0.271 420 P C -0.828 176.486 177.300 0.023 0.000 1.238 420 P CA 0.009 63.121 63.100 0.020 0.000 0.794 420 P CB 0.544 32.258 31.700 0.024 0.000 0.959 421 A N 0.000 122.834 122.820 0.023 0.000 2.254 421 A HA 0.000 4.331 4.320 0.019 0.000 0.244 421 A CA 0.000 52.053 52.037 0.027 0.000 0.836 421 A CB 0.000 19.015 19.000 0.025 0.000 0.831 421 A HN 0.000 nan 8.150 nan 0.000 0.486