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 3iuh_1_D DATA FIRST_RESID 4 DATA SEQUENCE FRIAQDVVAR ENDRRASALK EDYEALGANL ARRGVDIEAV TAKVEKFFVA DATA SEQUENCE VPSWGVGTGG TRFARFPGTG EPRGIFDKLD DCAVIQQLTR ATPNVSLHIP DATA SEQUENCE WDKADPKELK ARGDALGLGF DAMNSNTFSD APGQAHSYKY GSLSHTNAAT DATA SEQUENCE RAQAVEHNLE CIEIGKAIGS KALTVWIGDG SNFPGQSNFT RAFERYLSAM DATA SEQUENCE AEIYKGLPDD WKLFSEHKMY EPAFYSTVVQ DWGTNYLIAQ TLGPKAQCLV DATA SEQUENCE DLGHHAPNTN IEMIVARLIQ FGKLGGFHFN DSKYGDDDLD AGAIEPYRLF DATA SEQUENCE LVFNELVDAE ARGVKGFHPA HMIDQSHNVT DPIESLINSA NEIRRAYAQA DATA SEQUENCE LLVDRAALSG YQEDNDALMA TETLKRAYRT DVEPILAEAR RRTGGAVDPV DATA SEQUENCE ATYRASGYRA RVAAERPASV 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 4 F HA 0.000 nan 4.527 nan 0.000 0.279 4 F C 0.000 175.828 175.800 0.047 0.000 0.967 4 F CA 0.000 58.015 58.000 0.024 0.000 1.383 4 F CB 0.000 39.010 39.000 0.017 0.000 1.145 5 R N 1.249 121.874 120.500 0.207 0.000 2.096 5 R HA 0.113 4.452 4.340 -0.001 0.000 0.235 5 R C 0.425 176.844 176.300 0.198 0.000 1.127 5 R CA 1.085 57.299 56.100 0.191 0.000 0.968 5 R CB 0.098 30.451 30.300 0.087 0.000 0.861 5 R HN 0.309 nan 8.270 nan 0.000 0.440 6 I N 0.801 121.456 120.570 0.142 0.000 2.404 6 I HA 0.264 4.434 4.170 -0.001 0.000 0.293 6 I C 0.075 176.239 176.117 0.078 0.000 0.992 6 I CA -1.767 59.591 61.300 0.096 0.000 1.149 6 I CB 1.257 39.277 38.000 0.033 0.000 1.315 6 I HN -0.081 nan 8.210 nan 0.000 0.446 7 A N 5.989 128.843 122.820 0.057 0.000 2.548 7 A HA 0.035 4.354 4.320 -0.001 0.000 0.247 7 A C 1.298 178.840 177.584 -0.071 0.000 1.067 7 A CA 0.141 52.184 52.037 0.010 0.000 0.757 7 A CB 0.016 19.025 19.000 0.014 0.000 0.996 7 A HN 0.845 nan 8.150 nan 0.000 0.504 8 Q N 1.195 120.892 119.800 -0.171 0.000 2.152 8 Q HA -0.235 4.104 4.340 -0.001 0.000 0.206 8 Q C 1.456 177.372 176.000 -0.139 0.000 0.985 8 Q CA 1.826 57.479 55.803 -0.249 0.000 0.863 8 Q CB -0.106 28.395 28.738 -0.395 0.000 0.904 8 Q HN 1.013 nan 8.270 nan 0.000 0.422 9 D N -0.166 120.179 120.400 -0.093 0.000 2.178 9 D HA -0.125 4.514 4.640 -0.001 0.000 0.202 9 D C 1.820 178.091 176.300 -0.048 0.000 0.974 9 D CA 1.034 54.997 54.000 -0.062 0.000 0.841 9 D CB -0.327 40.448 40.800 -0.041 0.000 0.953 9 D HN 0.126 nan 8.370 nan 0.000 0.478 10 V N 1.074 120.963 119.914 -0.042 0.000 2.307 10 V HA -0.217 3.902 4.120 -0.001 0.000 0.245 10 V C 3.002 179.076 176.094 -0.033 0.000 1.045 10 V CA 1.285 63.567 62.300 -0.029 0.000 1.024 10 V CB -0.456 31.357 31.823 -0.017 0.000 0.651 10 V HN 0.099 nan 8.190 nan 0.000 0.449 11 V N 0.537 120.423 119.914 -0.047 0.000 2.287 11 V HA -0.288 3.832 4.120 -0.001 0.000 0.248 11 V C 2.760 178.825 176.094 -0.048 0.000 1.053 11 V CA 2.180 64.452 62.300 -0.047 0.000 1.027 11 V CB -1.298 30.484 31.823 -0.069 0.000 0.646 11 V HN 0.555 nan 8.190 nan 0.000 0.447 12 A N 0.168 122.951 122.820 -0.060 0.000 1.883 12 A HA -0.291 4.028 4.320 -0.001 0.000 0.217 12 A C 2.401 179.962 177.584 -0.039 0.000 1.186 12 A CA 2.299 54.304 52.037 -0.053 0.000 0.624 12 A CB -0.607 18.357 19.000 -0.060 0.000 0.822 12 A HN 0.527 nan 8.150 nan 0.000 0.444 13 R N -0.545 119.934 120.500 -0.035 0.000 2.081 13 R HA -0.149 4.190 4.340 -0.001 0.000 0.235 13 R C 1.833 178.120 176.300 -0.022 0.000 1.131 13 R CA 1.721 57.806 56.100 -0.026 0.000 0.960 13 R CB -0.196 30.090 30.300 -0.023 0.000 0.856 13 R HN 0.424 nan 8.270 nan 0.000 0.436 14 E N 0.384 120.571 120.200 -0.021 0.000 2.152 14 E HA -0.116 4.233 4.350 -0.001 0.000 0.192 14 E C 1.592 178.182 176.600 -0.017 0.000 0.983 14 E CA 0.800 57.191 56.400 -0.015 0.000 0.818 14 E CB -0.260 29.435 29.700 -0.009 0.000 0.758 14 E HN 0.381 nan 8.360 nan 0.000 0.467 15 N N 1.343 120.028 118.700 -0.024 0.000 2.142 15 N HA -0.111 4.628 4.740 -0.001 0.000 0.186 15 N C 1.309 176.803 175.510 -0.026 0.000 1.023 15 N CA 0.971 54.005 53.050 -0.027 0.000 0.852 15 N CB -0.270 38.197 38.487 -0.034 0.000 0.998 15 N HN 0.144 nan 8.380 nan 0.000 0.424 16 D N 0.376 120.760 120.400 -0.026 0.000 2.144 16 D HA -0.152 4.487 4.640 -0.001 0.000 0.199 16 D C 1.877 178.166 176.300 -0.019 0.000 0.984 16 D CA 0.650 54.635 54.000 -0.024 0.000 0.834 16 D CB -0.123 40.663 40.800 -0.023 0.000 0.955 16 D HN 0.310 nan 8.370 nan 0.000 0.465 17 R N 0.769 121.258 120.500 -0.017 0.000 2.152 17 R HA -0.040 4.299 4.340 -0.001 0.000 0.232 17 R C 1.483 177.775 176.300 -0.012 0.000 1.117 17 R CA 0.994 57.086 56.100 -0.013 0.000 0.981 17 R CB 0.186 30.479 30.300 -0.011 0.000 0.870 17 R HN 0.081 nan 8.270 nan 0.000 0.451 18 R N -0.964 119.528 120.500 -0.014 0.000 2.397 18 R HA 0.244 4.584 4.340 -0.001 0.000 0.241 18 R C 1.737 178.028 176.300 -0.015 0.000 0.914 18 R CA 0.352 56.444 56.100 -0.013 0.000 1.071 18 R CB 0.623 30.916 30.300 -0.011 0.000 1.116 18 R HN 0.128 nan 8.270 nan 0.000 0.524 19 A N 1.020 123.828 122.820 -0.020 0.000 1.883 19 A HA -0.238 4.082 4.320 -0.001 0.000 0.217 19 A C 2.159 179.732 177.584 -0.019 0.000 1.186 19 A CA 2.141 54.163 52.037 -0.025 0.000 0.624 19 A CB -0.656 18.327 19.000 -0.028 0.000 0.822 19 A HN 0.283 nan 8.150 nan 0.000 0.444 20 S N -0.490 115.202 115.700 -0.013 0.000 2.359 20 S HA -0.100 4.369 4.470 -0.001 0.000 0.224 20 S C 2.185 176.784 174.600 -0.002 0.000 1.035 20 S CA 1.842 60.037 58.200 -0.008 0.000 1.018 20 S CB -0.534 62.661 63.200 -0.007 0.000 0.876 20 S HN 0.888 nan 8.310 nan 0.000 0.448 21 A N 1.118 123.936 122.820 -0.003 0.000 1.930 21 A HA 0.034 4.354 4.320 -0.001 0.000 0.217 21 A C 2.159 179.749 177.584 0.011 0.000 1.175 21 A CA 1.590 53.628 52.037 0.002 0.000 0.627 21 A CB -0.833 18.166 19.000 -0.001 0.000 0.815 21 A HN 0.583 nan 8.150 nan 0.000 0.443 22 L N 0.077 121.304 121.223 0.007 0.000 2.046 22 L HA -0.127 4.212 4.340 -0.001 0.000 0.208 22 L C 2.250 179.145 176.870 0.041 0.000 1.077 22 L CA 2.610 57.461 54.840 0.018 0.000 0.747 22 L CB -0.584 41.468 42.059 -0.013 0.000 0.896 22 L HN 0.439 nan 8.230 nan 0.000 0.432 23 K N -0.706 119.704 120.400 0.016 0.000 2.009 23 K HA -0.219 4.101 4.320 -0.001 0.000 0.210 23 K C 1.960 178.600 176.600 0.066 0.000 1.049 23 K CA 1.786 58.091 56.287 0.030 0.000 0.929 23 K CB -0.098 32.407 32.500 0.007 0.000 0.714 23 K HN 0.361 nan 8.250 nan 0.000 0.440 24 E N 1.158 121.382 120.200 0.040 0.000 2.051 24 E HA -0.186 4.163 4.350 -0.001 0.000 0.192 24 E C 1.849 178.472 176.600 0.038 0.000 0.991 24 E CA 1.261 57.680 56.400 0.032 0.000 0.799 24 E CB -0.367 29.341 29.700 0.014 0.000 0.748 24 E HN 0.420 nan 8.360 nan 0.000 0.449 25 D N -0.229 120.197 120.400 0.044 0.000 2.117 25 D HA -0.146 4.493 4.640 -0.001 0.000 0.198 25 D C 1.947 178.279 176.300 0.053 0.000 0.982 25 D CA 0.762 54.782 54.000 0.033 0.000 0.828 25 D CB -0.417 40.400 40.800 0.028 0.000 0.967 25 D HN 0.220 nan 8.370 nan 0.000 0.464 26 Y N 1.899 122.181 120.300 -0.029 0.000 2.163 26 Y HA -0.142 4.407 4.550 -0.001 0.000 0.288 26 Y C 2.125 178.008 175.900 -0.027 0.000 1.136 26 Y CA 1.598 59.681 58.100 -0.029 0.000 1.147 26 Y CB 0.099 38.544 38.460 -0.025 0.000 0.987 26 Y HN -0.050 nan 8.280 nan 0.000 0.509 27 E N -0.184 120.104 120.200 0.148 0.000 2.150 27 E HA -0.170 4.179 4.350 -0.001 0.000 0.193 27 E C 2.297 178.879 176.600 -0.031 0.000 0.985 27 E CA 0.802 57.238 56.400 0.059 0.000 0.814 27 E CB -0.259 29.490 29.700 0.081 0.000 0.752 27 E HN 0.567 nan 8.360 nan 0.000 0.466 28 A N 1.373 124.176 122.820 -0.029 0.000 1.898 28 A HA -0.134 4.186 4.320 -0.001 0.000 0.216 28 A C 2.169 179.700 177.584 -0.087 0.000 1.181 28 A CA 0.875 52.884 52.037 -0.047 0.000 0.620 28 A CB -0.417 18.563 19.000 -0.033 0.000 0.819 28 A HN 0.218 nan 8.150 nan 0.000 0.442 29 L N 0.171 121.317 121.223 -0.128 0.000 2.093 29 L HA 0.046 4.385 4.340 -0.001 0.000 0.208 29 L C 2.337 179.077 176.870 -0.216 0.000 1.085 29 L CA 2.217 56.953 54.840 -0.175 0.000 0.755 29 L CB -1.096 40.833 42.059 -0.217 0.000 0.904 29 L HN 0.282 nan 8.230 nan 0.000 0.435 30 G N -0.867 107.762 108.800 -0.286 0.000 2.440 30 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.218 30 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.218 30 G C 1.586 176.405 174.900 -0.136 0.000 1.154 30 G CA 0.845 45.791 45.100 -0.256 0.000 0.767 30 G HN 0.631 nan 8.290 nan 0.000 0.552 31 A N 0.975 123.735 122.820 -0.099 0.000 1.930 31 A HA -0.089 4.230 4.320 -0.001 0.000 0.217 31 A C 2.211 179.757 177.584 -0.065 0.000 1.175 31 A CA 1.834 53.832 52.037 -0.064 0.000 0.627 31 A CB -0.551 18.421 19.000 -0.046 0.000 0.815 31 A HN 0.451 nan 8.150 nan 0.000 0.443 32 N N 0.407 119.061 118.700 -0.077 0.000 2.120 32 N HA -0.115 4.624 4.740 -0.001 0.000 0.188 32 N C 1.765 177.232 175.510 -0.071 0.000 1.024 32 N CA 1.564 54.572 53.050 -0.069 0.000 0.852 32 N CB -0.255 38.186 38.487 -0.076 0.000 1.003 32 N HN 0.499 nan 8.380 nan 0.000 0.424 33 L N 0.868 122.036 121.223 -0.092 0.000 2.046 33 L HA -0.104 4.235 4.340 -0.001 0.000 0.208 33 L C 2.768 179.599 176.870 -0.065 0.000 1.077 33 L CA 1.239 56.027 54.840 -0.085 0.000 0.747 33 L CB -0.599 41.392 42.059 -0.114 0.000 0.896 33 L HN 0.173 nan 8.230 nan 0.000 0.432 34 A N 0.098 122.879 122.820 -0.064 0.000 1.908 34 A HA -0.234 4.086 4.320 -0.001 0.000 0.218 34 A C 2.358 179.920 177.584 -0.036 0.000 1.181 34 A CA 1.593 53.602 52.037 -0.046 0.000 0.627 34 A CB -0.539 18.436 19.000 -0.042 0.000 0.818 34 A HN 0.331 nan 8.150 nan 0.000 0.445 35 R N -1.119 119.358 120.500 -0.037 0.000 2.193 35 R HA -0.020 4.319 4.340 -0.001 0.000 0.229 35 R C 1.927 178.211 176.300 -0.026 0.000 1.110 35 R CA 1.142 57.225 56.100 -0.029 0.000 0.988 35 R CB -0.162 30.120 30.300 -0.030 0.000 0.871 35 R HN 0.424 nan 8.270 nan 0.000 0.458 36 R N -0.635 119.846 120.500 -0.031 0.000 2.317 36 R HA 0.055 4.395 4.340 -0.001 0.000 0.208 36 R C 0.570 176.856 176.300 -0.023 0.000 0.914 36 R CA 0.546 56.631 56.100 -0.025 0.000 1.060 36 R CB 0.800 31.082 30.300 -0.030 0.000 1.015 36 R HN 0.370 nan 8.270 nan 0.000 0.498 37 G N 0.822 109.606 108.800 -0.026 0.000 2.137 37 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.237 37 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.237 37 G C -0.183 174.701 174.900 -0.027 0.000 1.002 37 G CA 0.007 45.093 45.100 -0.023 0.000 0.702 37 G HN 0.137 nan 8.290 nan 0.000 0.515 38 V N 0.598 120.491 119.914 -0.036 0.000 2.495 38 V HA 0.528 4.648 4.120 -0.001 0.000 0.298 38 V C -0.367 175.699 176.094 -0.048 0.000 1.031 38 V CA -1.003 61.272 62.300 -0.042 0.000 0.871 38 V CB 1.984 33.776 31.823 -0.051 0.000 0.988 38 V HN 0.299 nan 8.190 nan 0.000 0.432 39 D N 3.586 123.962 120.400 -0.039 0.000 2.380 39 D HA 0.193 4.833 4.640 -0.001 0.000 0.230 39 D C 1.009 177.283 176.300 -0.044 0.000 1.154 39 D CA -0.107 53.873 54.000 -0.034 0.000 0.859 39 D CB 1.385 42.176 40.800 -0.016 0.000 1.045 39 D HN 0.570 nan 8.370 nan 0.000 0.495 40 I N 3.585 124.112 120.570 -0.072 0.000 2.264 40 I HA -0.251 3.919 4.170 -0.001 0.000 0.248 40 I C 1.567 177.679 176.117 -0.008 0.000 1.111 40 I CA 1.196 62.433 61.300 -0.105 0.000 1.382 40 I CB 0.388 38.228 38.000 -0.267 0.000 1.060 40 I HN 0.342 nan 8.210 nan 0.000 0.418 41 E N 0.969 121.192 120.200 0.039 0.000 2.153 41 E HA -0.187 4.162 4.350 -0.001 0.000 0.194 41 E C 2.195 178.824 176.600 0.048 0.000 0.988 41 E CA 1.272 57.721 56.400 0.082 0.000 0.811 41 E CB -0.337 29.406 29.700 0.071 0.000 0.746 41 E HN 0.658 nan 8.360 nan 0.000 0.466 42 A N 0.814 123.646 122.820 0.019 0.000 1.930 42 A HA -0.095 4.225 4.320 -0.001 0.000 0.217 42 A C 2.573 180.158 177.584 0.002 0.000 1.175 42 A CA 1.163 53.206 52.037 0.010 0.000 0.627 42 A CB -0.432 18.567 19.000 -0.003 0.000 0.815 42 A HN 0.132 nan 8.150 nan 0.000 0.443 43 V N -0.357 119.548 119.914 -0.016 0.000 2.307 43 V HA -0.200 3.920 4.120 -0.001 0.000 0.245 43 V C 2.707 178.800 176.094 -0.002 0.000 1.045 43 V CA 2.404 64.678 62.300 -0.043 0.000 1.024 43 V CB -1.424 30.353 31.823 -0.077 0.000 0.651 43 V HN 0.566 nan 8.190 nan 0.000 0.449 44 T N 0.784 115.363 114.554 0.042 0.000 2.720 44 T HA -0.217 4.132 4.350 -0.001 0.000 0.268 44 T C 2.083 176.820 174.700 0.061 0.000 1.037 44 T CA 1.746 63.893 62.100 0.078 0.000 1.144 44 T CB -0.516 68.443 68.868 0.151 0.000 0.864 44 T HN 0.570 nan 8.240 nan 0.000 0.444 45 A N 1.733 124.585 122.820 0.053 0.000 1.908 45 A HA -0.173 4.146 4.320 -0.001 0.000 0.218 45 A C 2.276 179.891 177.584 0.052 0.000 1.181 45 A CA 1.689 53.755 52.037 0.047 0.000 0.627 45 A CB -0.412 18.613 19.000 0.041 0.000 0.818 45 A HN 0.500 nan 8.150 nan 0.000 0.445 46 K N -0.658 119.781 120.400 0.066 0.000 2.076 46 K HA 0.015 4.335 4.320 -0.001 0.000 0.204 46 K C 1.862 178.577 176.600 0.191 0.000 1.051 46 K CA 1.139 57.499 56.287 0.122 0.000 0.949 46 K CB -0.337 32.242 32.500 0.132 0.000 0.726 46 K HN 0.275 nan 8.250 nan 0.000 0.443 47 V N 2.966 122.980 119.914 0.167 0.000 2.332 47 V HA -0.264 3.855 4.120 -0.001 0.000 0.248 47 V C 2.294 178.438 176.094 0.084 0.000 1.055 47 V CA 2.225 64.634 62.300 0.181 0.000 1.038 47 V CB -0.693 31.178 31.823 0.080 0.000 0.651 47 V HN 0.490 nan 8.190 nan 0.000 0.450 48 E N -0.104 120.124 120.200 0.047 0.000 2.472 48 E HA -0.216 4.134 4.350 -0.001 0.000 0.200 48 E C 1.593 178.154 176.600 -0.065 0.000 1.046 48 E CA 0.862 57.279 56.400 0.029 0.000 0.871 48 E CB -0.087 29.642 29.700 0.049 0.000 0.806 48 E HN 0.344 nan 8.360 nan 0.000 0.533 49 K N 0.093 120.383 120.400 -0.184 0.000 2.358 49 K HA 0.230 4.549 4.320 -0.001 0.000 0.200 49 K C -0.847 175.145 176.600 -1.014 0.000 1.030 49 K CA -0.336 55.640 56.287 -0.517 0.000 1.097 49 K CB 0.123 32.502 32.500 -0.201 0.000 0.862 49 K HN 0.122 nan 8.250 nan 0.000 0.534 50 F N 1.327 120.806 119.950 -0.786 0.000 2.421 50 F HA 0.369 4.896 4.527 -0.001 0.000 0.358 50 F C -0.744 174.663 175.800 -0.655 0.000 1.115 50 F CA -0.837 56.721 58.000 -0.737 0.000 1.160 50 F CB 0.253 38.835 39.000 -0.696 0.000 1.123 50 F HN -0.197 nan 8.300 nan 0.000 0.508 51 F N 5.219 124.735 119.950 -0.724 0.000 2.522 51 F HA 0.682 5.208 4.527 -0.001 0.000 0.324 51 F C -0.508 174.996 175.800 -0.492 0.000 1.077 51 F CA -1.451 56.289 58.000 -0.433 0.000 0.944 51 F CB 1.571 40.419 39.000 -0.253 0.000 1.175 51 F HN 0.204 nan 8.300 nan 0.000 0.468 52 V N 1.933 121.858 119.914 0.017 0.000 2.686 52 V HA 0.844 4.963 4.120 -0.001 0.000 0.306 52 V C -0.627 175.498 176.094 0.052 0.000 1.065 52 V CA -0.804 61.535 62.300 0.066 0.000 0.894 52 V CB 1.487 33.399 31.823 0.149 0.000 1.004 52 V HN 1.052 nan 8.190 nan 0.000 0.424 53 A N 5.629 128.478 122.820 0.048 0.000 2.407 53 A HA 0.651 4.970 4.320 -0.001 0.000 0.248 53 A C -0.064 177.491 177.584 -0.047 0.000 1.082 53 A CA 0.225 52.255 52.037 -0.013 0.000 0.785 53 A CB 0.693 19.691 19.000 -0.003 0.000 1.020 53 A HN 1.822 nan 8.150 nan 0.000 0.489 54 V N 0.235 120.091 119.914 -0.096 0.000 2.483 54 V HA 0.684 4.803 4.120 -0.001 0.000 0.295 54 V C -2.578 173.366 176.094 -0.250 0.000 1.035 54 V CA -2.446 59.765 62.300 -0.149 0.000 0.896 54 V CB 1.491 33.237 31.823 -0.128 0.000 0.986 54 V HN 0.783 nan 8.190 nan 0.000 0.447 55 P HA 0.202 nan 4.420 nan 0.000 0.286 55 P C 0.859 177.810 177.300 -0.582 0.000 1.269 55 P CA -0.040 62.477 63.100 -0.971 0.000 0.787 55 P CB 1.800 32.371 31.700 -1.882 0.000 0.920 56 S N 2.763 118.361 115.700 -0.170 0.000 2.419 56 S HA -0.174 4.296 4.470 -0.001 0.000 0.233 56 S C 1.442 176.163 174.600 0.202 0.000 1.016 56 S CA 0.660 58.931 58.200 0.118 0.000 0.974 56 S CB -1.354 62.039 63.200 0.321 0.000 0.786 56 S HN 0.708 nan 8.310 nan 0.000 0.492 57 W N 1.366 122.806 121.300 0.234 0.000 3.180 57 W HA 0.590 5.249 4.660 -0.001 0.000 0.254 57 W C 1.638 178.234 176.519 0.128 0.000 1.318 57 W CA -0.276 57.175 57.345 0.178 0.000 1.608 57 W CB -0.572 29.079 29.460 0.318 0.000 1.124 57 W HN 0.191 nan 8.180 nan 0.000 0.694 58 G N 1.268 109.970 108.800 -0.162 0.000 2.744 58 G HA2 -0.055 3.905 3.960 -0.001 0.000 0.211 58 G HA3 -0.055 3.905 3.960 -0.001 0.000 0.211 58 G C 1.197 176.164 174.900 0.111 0.000 1.146 58 G CA 0.810 45.906 45.100 -0.007 0.000 0.787 58 G HN 0.401 nan 8.290 nan 0.000 0.534 59 V N -1.386 118.547 119.914 0.032 0.000 3.461 59 V HA 0.416 4.535 4.120 -0.001 0.000 0.267 59 V C 1.130 177.262 176.094 0.063 0.000 1.186 59 V CA 0.247 62.557 62.300 0.017 0.000 1.154 59 V CB -0.567 31.264 31.823 0.013 0.000 0.802 59 V HN 0.192 nan 8.190 nan 0.000 0.474 60 G N -0.119 108.737 108.800 0.094 0.000 2.410 60 G HA2 0.500 4.460 3.960 -0.001 0.000 0.330 60 G HA3 0.500 4.460 3.960 -0.001 0.000 0.330 60 G C -0.358 174.611 174.900 0.114 0.000 1.142 60 G CA -0.418 44.733 45.100 0.085 0.000 0.902 60 G HN 0.182 nan 8.290 nan 0.000 0.491 61 T N 0.835 115.449 114.554 0.101 0.000 2.888 61 T HA 0.441 4.790 4.350 -0.001 0.000 0.301 61 T C 1.010 175.770 174.700 0.101 0.000 1.001 61 T CA 0.559 62.733 62.100 0.123 0.000 1.147 61 T CB 1.065 70.003 68.868 0.117 0.000 0.931 61 T HN 0.707 nan 8.240 nan 0.000 0.541 62 G N 1.098 109.967 108.800 0.114 0.000 2.535 62 G HA2 0.732 4.691 3.960 -0.001 0.000 0.303 62 G HA3 0.732 4.691 3.960 -0.001 0.000 0.303 62 G C -0.037 174.909 174.900 0.075 0.000 1.237 62 G CA -0.350 44.797 45.100 0.078 0.000 0.986 62 G HN 0.978 nan 8.290 nan 0.000 0.494 63 G N -1.953 106.879 108.800 0.054 0.000 2.749 63 G HA2 0.720 4.679 3.960 -0.001 0.000 0.300 63 G HA3 0.720 4.679 3.960 -0.001 0.000 0.300 63 G C -0.460 174.475 174.900 0.058 0.000 1.352 63 G CA 0.392 45.522 45.100 0.050 0.000 0.789 63 G HN 1.161 nan 8.290 nan 0.000 0.509 64 T N -3.056 111.538 114.554 0.066 0.000 2.807 64 T HA 0.455 4.804 4.350 -0.001 0.000 0.277 64 T C 1.404 176.112 174.700 0.014 0.000 1.006 64 T CA -0.143 62.007 62.100 0.084 0.000 1.006 64 T CB 1.724 70.710 68.868 0.196 0.000 1.274 64 T HN 0.791 nan 8.240 nan 0.000 0.569 65 R N -0.574 119.885 120.500 -0.069 0.000 2.237 65 R HA 0.091 4.431 4.340 -0.001 0.000 0.219 65 R C 1.275 177.399 176.300 -0.293 0.000 1.080 65 R CA 1.101 57.076 56.100 -0.209 0.000 0.995 65 R CB -0.736 29.374 30.300 -0.317 0.000 0.875 65 R HN 0.492 nan 8.270 nan 0.000 0.462 66 F N 1.101 121.052 119.950 0.002 0.000 2.335 66 F HA 0.325 4.851 4.527 -0.001 0.000 0.296 66 F C 1.147 176.905 175.800 -0.069 0.000 1.091 66 F CA 0.733 58.728 58.000 -0.009 0.000 1.399 66 F CB 0.266 39.280 39.000 0.023 0.000 1.067 66 F HN 0.240 nan 8.300 nan 0.000 0.520 67 A N -0.498 122.338 122.820 0.027 0.000 2.522 67 A HA 0.600 4.919 4.320 -0.001 0.000 0.294 67 A C -1.193 176.177 177.584 -0.357 0.000 1.001 67 A CA -0.896 50.989 52.037 -0.252 0.000 0.642 67 A CB 0.839 19.541 19.000 -0.498 0.000 1.326 67 A HN 0.056 nan 8.150 nan 0.000 0.435 68 R N 0.406 120.614 120.500 -0.488 0.000 2.532 68 R HA 0.681 5.021 4.340 -0.001 0.000 0.297 68 R C -2.072 173.971 176.300 -0.429 0.000 0.984 68 R CA -0.486 55.427 56.100 -0.313 0.000 0.884 68 R CB 0.778 30.999 30.300 -0.130 0.000 1.182 68 R HN 0.568 nan 8.270 nan 0.000 0.442 69 F N 5.954 125.937 119.950 0.054 0.000 2.319 69 F HA 0.344 4.871 4.527 -0.001 0.000 0.356 69 F C -1.551 174.277 175.800 0.048 0.000 1.100 69 F CA -2.125 55.904 58.000 0.049 0.000 1.220 69 F CB 0.872 39.901 39.000 0.049 0.000 1.506 69 F HN 0.310 nan 8.300 nan 0.000 0.512 70 P HA 0.161 nan 4.420 nan 0.000 0.268 70 P C 0.359 177.731 177.300 0.121 0.000 1.208 70 P CA 0.062 63.231 63.100 0.114 0.000 0.777 70 P CB 1.279 33.021 31.700 0.069 0.000 0.875 71 G N 0.829 109.690 108.800 0.102 0.000 2.583 71 G HA2 0.550 4.509 3.960 -0.001 0.000 0.280 71 G HA3 0.550 4.509 3.960 -0.001 0.000 0.280 71 G C -0.353 174.591 174.900 0.073 0.000 1.376 71 G CA -0.423 44.732 45.100 0.091 0.000 1.043 71 G HN 0.662 nan 8.290 nan 0.000 0.538 72 T N -3.432 111.161 114.554 0.065 0.000 2.913 72 T HA 0.458 4.807 4.350 -0.001 0.000 0.287 72 T C 1.190 175.919 174.700 0.048 0.000 1.008 72 T CA 0.693 62.822 62.100 0.048 0.000 1.067 72 T CB 1.108 69.998 68.868 0.035 0.000 0.996 72 T HN 2.167 nan 8.240 nan 0.000 0.513 73 G N 1.388 110.206 108.800 0.031 0.000 2.305 73 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.287 73 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.287 73 G C -0.054 174.875 174.900 0.049 0.000 1.036 73 G CA -0.149 44.966 45.100 0.025 0.000 0.887 73 G HN 0.891 nan 8.290 nan 0.000 0.505 74 E N 0.884 121.115 120.200 0.052 0.000 2.414 74 E HA 0.159 4.508 4.350 -0.001 0.000 0.263 74 E C -1.643 174.992 176.600 0.059 0.000 1.000 74 E CA -1.279 55.156 56.400 0.059 0.000 0.914 74 E CB 0.621 30.350 29.700 0.049 0.000 0.948 74 E HN 0.361 nan 8.360 nan 0.000 0.444 75 P HA 0.048 nan 4.420 nan 0.000 0.268 75 P C 0.156 177.496 177.300 0.066 0.000 1.204 75 P CA 0.140 63.287 63.100 0.079 0.000 0.768 75 P CB 0.761 32.516 31.700 0.091 0.000 0.842 76 R N 1.775 122.320 120.500 0.076 0.000 2.093 76 R HA 0.186 4.525 4.340 -0.001 0.000 0.224 76 R C 1.438 177.786 176.300 0.080 0.000 1.101 76 R CA 1.286 57.428 56.100 0.071 0.000 0.979 76 R CB -0.112 30.233 30.300 0.076 0.000 0.877 76 R HN 0.642 nan 8.270 nan 0.000 0.441 77 G N -0.729 108.135 108.800 0.107 0.000 2.782 77 G HA2 0.217 4.176 3.960 -0.001 0.000 0.304 77 G HA3 0.217 4.176 3.960 -0.001 0.000 0.304 77 G C -0.158 174.793 174.900 0.085 0.000 1.315 77 G CA -0.665 44.499 45.100 0.107 0.000 0.791 77 G HN 0.005 nan 8.290 nan 0.000 0.519 78 I N -0.501 120.073 120.570 0.006 0.000 2.361 78 I HA 0.025 4.195 4.170 -0.001 0.000 0.251 78 I C 2.174 178.211 176.117 -0.134 0.000 1.133 78 I CA 1.441 62.687 61.300 -0.091 0.000 1.413 78 I CB -0.408 37.450 38.000 -0.237 0.000 1.073 78 I HN 0.370 nan 8.210 nan 0.000 0.424 79 F N 0.710 120.731 119.950 0.118 0.000 2.186 79 F HA -0.149 4.378 4.527 -0.001 0.000 0.299 79 F C 2.296 178.156 175.800 0.099 0.000 1.090 79 F CA 1.472 59.535 58.000 0.106 0.000 1.307 79 F CB -0.955 38.096 39.000 0.085 0.000 1.019 79 F HN 0.100 nan 8.300 nan 0.000 0.489 80 D N 0.194 120.739 120.400 0.242 0.000 2.144 80 D HA -0.113 4.526 4.640 -0.001 0.000 0.200 80 D C 2.108 178.499 176.300 0.151 0.000 0.978 80 D CA 1.074 55.181 54.000 0.178 0.000 0.833 80 D CB -0.207 40.677 40.800 0.140 0.000 0.961 80 D HN 0.217 nan 8.370 nan 0.000 0.470 81 K N 0.088 120.563 120.400 0.125 0.000 2.057 81 K HA -0.033 4.287 4.320 -0.001 0.000 0.207 81 K C 2.260 178.915 176.600 0.091 0.000 1.049 81 K CA 0.558 56.907 56.287 0.103 0.000 0.931 81 K CB -0.089 32.472 32.500 0.102 0.000 0.714 81 K HN 0.156 nan 8.250 nan 0.000 0.440 82 L N 1.165 122.447 121.223 0.099 0.000 2.046 82 L HA -0.221 4.118 4.340 -0.001 0.000 0.208 82 L C 1.878 178.796 176.870 0.081 0.000 1.077 82 L CA 1.100 55.989 54.840 0.082 0.000 0.747 82 L CB -0.515 41.617 42.059 0.122 0.000 0.896 82 L HN 0.182 nan 8.230 nan 0.000 0.432 83 D N 0.095 120.573 120.400 0.130 0.000 2.149 83 D HA -0.183 4.456 4.640 -0.001 0.000 0.198 83 D C 1.761 178.146 176.300 0.142 0.000 0.990 83 D CA 1.250 55.338 54.000 0.146 0.000 0.839 83 D CB -0.157 40.758 40.800 0.191 0.000 0.948 83 D HN 0.322 nan 8.370 nan 0.000 0.460 84 D N -0.543 119.943 120.400 0.142 0.000 2.162 84 D HA -0.054 4.585 4.640 -0.001 0.000 0.203 84 D C 2.144 178.434 176.300 -0.015 0.000 0.967 84 D CA 0.353 54.417 54.000 0.107 0.000 0.840 84 D CB -0.509 40.375 40.800 0.139 0.000 0.972 84 D HN 0.203 nan 8.370 nan 0.000 0.482 85 C N 1.123 120.415 119.300 -0.013 0.000 2.422 85 C HA -0.015 4.444 4.460 -0.001 0.000 0.279 85 C C 2.845 177.789 174.990 -0.077 0.000 1.305 85 C CA 0.689 59.670 59.018 -0.061 0.000 1.757 85 C CB -0.965 26.738 27.740 -0.061 0.000 1.962 85 C HN 0.353 nan 8.230 nan 0.000 0.499 86 A N 0.197 122.985 122.820 -0.052 0.000 1.933 86 A HA -0.096 4.223 4.320 -0.001 0.000 0.218 86 A C 2.258 179.800 177.584 -0.070 0.000 1.175 86 A CA 2.013 54.018 52.037 -0.054 0.000 0.628 86 A CB -0.598 18.392 19.000 -0.017 0.000 0.814 86 A HN 0.381 nan 8.150 nan 0.000 0.444 87 V N 0.337 120.178 119.914 -0.121 0.000 2.343 87 V HA -0.274 3.846 4.120 -0.001 0.000 0.247 87 V C 2.415 178.426 176.094 -0.138 0.000 1.051 87 V CA 2.038 64.228 62.300 -0.185 0.000 1.036 87 V CB -0.701 30.885 31.823 -0.396 0.000 0.654 87 V HN 0.593 nan 8.190 nan 0.000 0.451 88 I N 0.040 120.523 120.570 -0.146 0.000 2.163 88 I HA -0.304 3.866 4.170 -0.001 0.000 0.243 88 I C 2.645 178.710 176.117 -0.087 0.000 1.085 88 I CA 1.952 63.173 61.300 -0.133 0.000 1.347 88 I CB -0.452 37.467 38.000 -0.136 0.000 1.044 88 I HN 0.363 nan 8.210 nan 0.000 0.408 89 Q N 1.238 120.989 119.800 -0.081 0.000 2.079 89 Q HA -0.254 4.086 4.340 -0.001 0.000 0.200 89 Q C 2.161 178.139 176.000 -0.036 0.000 0.974 89 Q CA 1.766 57.530 55.803 -0.066 0.000 0.840 89 Q CB -0.394 28.288 28.738 -0.095 0.000 0.898 89 Q HN 0.473 nan 8.270 nan 0.000 0.430 90 Q N -0.508 119.278 119.800 -0.024 0.000 2.061 90 Q HA -0.153 4.186 4.340 -0.001 0.000 0.204 90 Q C 1.972 177.974 176.000 0.003 0.000 0.984 90 Q CA 1.756 57.568 55.803 0.015 0.000 0.846 90 Q CB -0.088 28.679 28.738 0.049 0.000 0.902 90 Q HN 0.533 nan 8.270 nan 0.000 0.421 91 L N -0.412 120.801 121.223 -0.016 0.000 2.131 91 L HA -0.065 4.274 4.340 -0.001 0.000 0.206 91 L C 2.569 179.432 176.870 -0.012 0.000 1.087 91 L CA 1.525 56.356 54.840 -0.014 0.000 0.767 91 L CB -0.384 41.663 42.059 -0.019 0.000 0.917 91 L HN 0.393 nan 8.230 nan 0.000 0.441 92 T N -5.013 109.532 114.554 -0.015 0.000 3.023 92 T HA 0.055 4.404 4.350 -0.001 0.000 0.249 92 T C 1.131 175.851 174.700 0.035 0.000 1.050 92 T CA -0.345 61.756 62.100 0.002 0.000 1.088 92 T CB 0.224 69.087 68.868 -0.007 0.000 0.946 92 T HN 0.103 nan 8.240 nan 0.000 0.480 93 R N 0.459 120.978 120.500 0.031 0.000 3.863 93 R HA -0.153 4.187 4.340 -0.001 0.000 0.313 93 R C 0.828 177.224 176.300 0.160 0.000 1.202 93 R CA 0.858 56.997 56.100 0.065 0.000 0.852 93 R CB -2.449 27.901 30.300 0.083 0.000 1.292 93 R HN 0.720 nan 8.270 nan 0.000 0.519 94 A N -0.398 122.502 122.820 0.134 0.000 2.469 94 A HA 0.168 4.487 4.320 -0.001 0.000 0.245 94 A C 0.920 178.608 177.584 0.175 0.000 1.221 94 A CA 0.846 53.027 52.037 0.239 0.000 0.946 94 A CB 0.494 19.586 19.000 0.153 0.000 1.049 94 A HN 0.307 nan 8.150 nan 0.000 0.529 95 T N -2.673 111.896 114.554 0.025 0.000 3.630 95 T HA 0.321 4.670 4.350 -0.001 0.000 0.238 95 T C -1.839 172.768 174.700 -0.155 0.000 1.195 95 T CA -0.881 61.189 62.100 -0.050 0.000 1.433 95 T CB 0.829 69.666 68.868 -0.052 0.000 0.940 95 T HN 0.097 nan 8.240 nan 0.000 0.641 96 P HA -0.041 nan 4.420 nan 0.000 0.225 96 P C -0.152 176.972 177.300 -0.292 0.000 1.148 96 P CA 0.528 63.421 63.100 -0.344 0.000 0.779 96 P CB -0.005 31.339 31.700 -0.594 0.000 0.780 97 N N -0.906 117.650 118.700 -0.240 0.000 2.314 97 N HA 0.399 5.138 4.740 -0.001 0.000 0.304 97 N C -1.206 174.199 175.510 -0.175 0.000 1.073 97 N CA -0.930 51.988 53.050 -0.221 0.000 0.822 97 N CB 2.492 40.887 38.487 -0.154 0.000 1.280 97 N HN -0.316 nan 8.380 nan 0.000 0.489 98 V N 0.765 120.554 119.914 -0.208 0.000 2.513 98 V HA 0.428 4.547 4.120 -0.001 0.000 0.299 98 V C -0.148 175.983 176.094 0.061 0.000 1.035 98 V CA -0.632 61.607 62.300 -0.101 0.000 0.889 98 V CB 1.714 33.463 31.823 -0.123 0.000 0.988 98 V HN 0.615 nan 8.190 nan 0.000 0.440 99 S N 4.396 120.144 115.700 0.079 0.000 2.429 99 S HA 0.664 5.134 4.470 -0.001 0.000 0.302 99 S C -0.385 174.436 174.600 0.368 0.000 1.115 99 S CA -0.483 57.840 58.200 0.205 0.000 1.095 99 S CB 0.255 63.557 63.200 0.170 0.000 0.987 99 S HN 0.505 nan 8.310 nan 0.000 0.474 100 L N 3.865 125.316 121.223 0.381 0.000 2.399 100 L HA 0.511 4.851 4.340 -0.001 0.000 0.265 100 L C 0.160 177.273 176.870 0.405 0.000 1.089 100 L CA -0.796 54.287 54.840 0.405 0.000 0.802 100 L CB 0.699 42.906 42.059 0.247 0.000 1.180 100 L HN 0.563 nan 8.230 nan 0.000 0.454 101 H N 2.815 122.090 119.070 0.342 0.000 2.658 101 H HA 0.453 5.008 4.556 -0.001 0.000 0.337 101 H C -1.045 174.294 175.328 0.018 0.000 1.009 101 H CA -0.559 55.545 56.048 0.093 0.000 1.231 101 H CB 1.693 31.445 29.762 -0.017 0.000 1.508 101 H HN 0.225 nan 8.280 nan 0.000 0.517 102 I N 6.874 127.490 120.570 0.077 0.000 2.412 102 I HA 0.191 4.360 4.170 -0.001 0.000 0.296 102 I C -1.578 174.581 176.117 0.070 0.000 0.987 102 I CA -2.612 58.731 61.300 0.072 0.000 1.180 102 I CB 1.811 39.805 38.000 -0.011 0.000 1.340 102 I HN 0.452 nan 8.210 nan 0.000 0.455 103 P HA -0.044 nan 4.420 nan 0.000 0.249 103 P C 1.136 178.557 177.300 0.203 0.000 1.229 103 P CA 0.545 63.709 63.100 0.106 0.000 0.788 103 P CB 0.211 31.969 31.700 0.096 0.000 1.072 104 W N 1.911 123.270 121.300 0.098 0.000 2.318 104 W HA -0.118 4.541 4.660 -0.001 0.000 0.313 104 W C 1.145 177.715 176.519 0.086 0.000 1.221 104 W CA 1.165 58.558 57.345 0.081 0.000 1.266 104 W CB -1.824 27.686 29.460 0.082 0.000 1.150 104 W HN 0.106 nan 8.180 nan 0.000 0.496 105 D N -0.191 120.416 120.400 0.345 0.000 2.325 105 D HA 0.005 4.645 4.640 -0.001 0.000 0.225 105 D C 0.531 176.879 176.300 0.080 0.000 1.096 105 D CA 0.202 54.314 54.000 0.188 0.000 0.844 105 D CB -0.313 40.610 40.800 0.205 0.000 0.925 105 D HN 0.067 nan 8.370 nan 0.000 0.513 106 K N 1.110 121.571 120.400 0.101 0.000 2.484 106 K HA 0.263 4.582 4.320 -0.001 0.000 0.280 106 K C -0.405 176.222 176.600 0.045 0.000 1.013 106 K CA 0.196 56.518 56.287 0.060 0.000 1.029 106 K CB 0.359 32.904 32.500 0.076 0.000 0.902 106 K HN 0.072 nan 8.250 nan 0.000 0.481 107 A N 3.468 126.307 122.820 0.031 0.000 2.549 107 A HA 0.134 4.453 4.320 -0.001 0.000 0.291 107 A C -1.648 175.981 177.584 0.074 0.000 1.034 107 A CA -0.912 51.172 52.037 0.078 0.000 0.655 107 A CB 0.690 19.719 19.000 0.049 0.000 1.299 107 A HN 0.815 nan 8.150 nan 0.000 0.427 108 D N 1.313 121.786 120.400 0.121 0.000 2.502 108 D HA 0.253 4.892 4.640 -0.001 0.000 0.249 108 D C -1.399 174.941 176.300 0.066 0.000 1.188 108 D CA -0.435 53.615 54.000 0.084 0.000 0.890 108 D CB 0.805 41.661 40.800 0.093 0.000 1.140 108 D HN 0.125 nan 8.370 nan 0.000 0.505 109 P HA -0.201 nan 4.420 nan 0.000 0.216 109 P C 0.832 178.127 177.300 -0.007 0.000 1.150 109 P CA 1.582 64.661 63.100 -0.034 0.000 0.843 109 P CB 0.158 31.832 31.700 -0.043 0.000 0.787 110 K N -0.313 120.102 120.400 0.026 0.000 2.057 110 K HA -0.166 4.153 4.320 -0.001 0.000 0.207 110 K C 2.063 178.711 176.600 0.080 0.000 1.049 110 K CA 1.396 57.708 56.287 0.042 0.000 0.931 110 K CB -0.329 32.192 32.500 0.035 0.000 0.714 110 K HN 0.285 nan 8.250 nan 0.000 0.440 111 E N 0.855 121.127 120.200 0.121 0.000 2.072 111 E HA -0.120 4.229 4.350 -0.001 0.000 0.191 111 E C 2.095 178.889 176.600 0.322 0.000 0.985 111 E CA 0.720 57.239 56.400 0.197 0.000 0.801 111 E CB -0.033 29.810 29.700 0.238 0.000 0.750 111 E HN 0.198 nan 8.360 nan 0.000 0.452 112 L N 0.946 122.318 121.223 0.248 0.000 2.012 112 L HA -0.235 4.105 4.340 -0.001 0.000 0.210 112 L C 2.562 179.564 176.870 0.219 0.000 1.073 112 L CA 1.189 56.125 54.840 0.160 0.000 0.748 112 L CB -0.371 41.596 42.059 -0.154 0.000 0.891 112 L HN 0.042 nan 8.230 nan 0.000 0.431 113 K N 0.535 120.998 120.400 0.105 0.000 2.026 113 K HA -0.147 4.172 4.320 -0.001 0.000 0.208 113 K C 2.002 178.732 176.600 0.216 0.000 1.048 113 K CA 1.701 58.104 56.287 0.195 0.000 0.929 113 K CB -0.410 32.142 32.500 0.086 0.000 0.713 113 K HN 0.239 nan 8.250 nan 0.000 0.439 114 A N 0.495 123.411 122.820 0.159 0.000 1.933 114 A HA -0.138 4.181 4.320 -0.001 0.000 0.218 114 A C 2.172 179.840 177.584 0.140 0.000 1.175 114 A CA 1.849 53.959 52.037 0.121 0.000 0.628 114 A CB -0.564 18.487 19.000 0.085 0.000 0.814 114 A HN 0.329 nan 8.150 nan 0.000 0.444 115 R N 0.088 120.718 120.500 0.216 0.000 2.075 115 R HA -0.012 4.328 4.340 -0.001 0.000 0.232 115 R C 2.155 178.559 176.300 0.172 0.000 1.126 115 R CA 1.936 58.168 56.100 0.220 0.000 0.963 115 R CB -1.395 29.137 30.300 0.386 0.000 0.858 115 R HN 0.352 nan 8.270 nan 0.000 0.435 116 G N 0.440 109.382 108.800 0.237 0.000 2.459 116 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.217 116 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.217 116 G C 1.024 175.933 174.900 0.015 0.000 1.183 116 G CA 1.075 46.223 45.100 0.080 0.000 0.776 116 G HN 0.357 nan 8.290 nan 0.000 0.552 117 D N 1.042 121.483 120.400 0.069 0.000 2.123 117 D HA -0.078 4.561 4.640 -0.001 0.000 0.196 117 D C 2.802 179.096 176.300 -0.011 0.000 0.992 117 D CA 1.342 55.355 54.000 0.022 0.000 0.833 117 D CB -0.514 40.312 40.800 0.043 0.000 0.954 117 D HN 0.320 nan 8.370 nan 0.000 0.455 118 A N 0.267 123.089 122.820 0.003 0.000 1.969 118 A HA -0.072 4.248 4.320 -0.001 0.000 0.218 118 A C 2.256 179.801 177.584 -0.066 0.000 1.169 118 A CA 0.810 52.829 52.037 -0.029 0.000 0.635 118 A CB -0.511 18.485 19.000 -0.006 0.000 0.810 118 A HN 0.235 nan 8.150 nan 0.000 0.445 119 L N -1.538 119.657 121.223 -0.046 0.000 2.567 119 L HA 0.227 4.566 4.340 -0.001 0.000 0.225 119 L C 1.494 178.308 176.870 -0.093 0.000 1.119 119 L CA 0.499 55.298 54.840 -0.068 0.000 0.871 119 L CB -0.072 41.967 42.059 -0.033 0.000 1.036 119 L HN 0.553 nan 8.230 nan 0.000 0.459 120 G N 1.057 109.800 108.800 -0.095 0.000 2.171 120 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.238 120 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.238 120 G C -0.213 174.601 174.900 -0.144 0.000 1.039 120 G CA -0.185 44.852 45.100 -0.105 0.000 0.759 120 G HN 0.200 nan 8.290 nan 0.000 0.501 121 L N -0.269 120.847 121.223 -0.178 0.000 2.346 121 L HA 0.816 5.156 4.340 -0.001 0.000 0.274 121 L C 0.986 177.629 176.870 -0.378 0.000 1.007 121 L CA -0.556 54.115 54.840 -0.283 0.000 0.818 121 L CB 2.022 43.889 42.059 -0.321 0.000 1.284 121 L HN 0.241 nan 8.230 nan 0.000 0.424 122 G N 0.673 109.229 108.800 -0.406 0.000 2.705 122 G HA2 0.715 4.674 3.960 -0.001 0.000 0.299 122 G HA3 0.715 4.674 3.960 -0.001 0.000 0.299 122 G C -1.489 173.048 174.900 -0.605 0.000 1.315 122 G CA -0.405 44.481 45.100 -0.358 0.000 1.045 122 G HN 0.281 nan 8.290 nan 0.000 0.517 123 F N -0.713 119.214 119.950 -0.037 0.000 2.507 123 F HA 0.403 4.929 4.527 -0.001 0.000 0.325 123 F C 0.252 176.027 175.800 -0.042 0.000 1.116 123 F CA -0.547 57.438 58.000 -0.024 0.000 0.930 123 F CB 2.504 41.504 39.000 -0.000 0.000 1.146 123 F HN 0.507 nan 8.300 nan 0.000 0.447 124 D N 0.966 121.441 120.400 0.124 0.000 2.511 124 D HA 0.649 5.288 4.640 -0.001 0.000 0.283 124 D C -0.395 175.944 176.300 0.064 0.000 1.198 124 D CA -0.330 53.704 54.000 0.057 0.000 1.097 124 D CB 0.769 41.596 40.800 0.044 0.000 1.160 124 D HN 0.639 nan 8.370 nan 0.000 0.589 125 A N 0.595 123.457 122.820 0.069 0.000 2.565 125 A HA 0.169 4.488 4.320 -0.001 0.000 0.237 125 A C 0.060 177.716 177.584 0.120 0.000 1.053 125 A CA 0.230 52.311 52.037 0.073 0.000 0.755 125 A CB -0.154 18.987 19.000 0.235 0.000 0.980 125 A HN 0.423 nan 8.150 nan 0.000 0.506 126 M N 2.280 121.927 119.600 0.079 0.000 2.241 126 M HA 0.198 4.677 4.480 -0.001 0.000 0.335 126 M C 0.093 176.431 176.300 0.063 0.000 1.122 126 M CA 0.251 55.608 55.300 0.096 0.000 1.164 126 M CB 0.207 32.877 32.600 0.117 0.000 1.459 126 M HN 0.675 nan 8.290 nan 0.000 0.461 127 N N 0.982 119.646 118.700 -0.059 0.000 2.399 127 N HA 0.296 5.035 4.740 -0.001 0.000 0.284 127 N C -0.872 174.399 175.510 -0.398 0.000 1.025 127 N CA -0.227 52.661 53.050 -0.270 0.000 0.885 127 N CB 1.885 40.013 38.487 -0.598 0.000 1.339 127 N HN 0.635 nan 8.380 nan 0.000 0.487 128 S N 1.563 117.155 115.700 -0.179 0.000 2.617 128 S HA 0.319 4.788 4.470 -0.001 0.000 0.269 128 S C 0.011 174.634 174.600 0.038 0.000 1.292 128 S CA -0.678 57.501 58.200 -0.035 0.000 1.010 128 S CB 1.489 64.700 63.200 0.018 0.000 0.944 128 S HN 0.555 nan 8.310 nan 0.000 0.536 129 N N 0.756 119.533 118.700 0.128 0.000 2.617 129 N HA 0.257 4.997 4.740 -0.001 0.000 0.263 129 N C -0.555 174.540 175.510 -0.693 0.000 1.074 129 N CA -0.386 52.392 53.050 -0.453 0.000 0.841 129 N CB 1.281 39.332 38.487 -0.728 0.000 1.221 129 N HN 0.854 nan 8.380 nan 0.000 0.529 130 T N 0.002 114.179 114.554 -0.628 0.000 3.380 130 T HA 0.210 4.559 4.350 -0.001 0.000 0.289 130 T C 0.502 174.840 174.700 -0.604 0.000 1.012 130 T CA -0.478 61.122 62.100 -0.833 0.000 0.944 130 T CB -1.181 67.076 68.868 -1.017 0.000 1.172 130 T HN 0.259 nan 8.240 nan 0.000 0.502 131 F N 0.595 120.395 119.950 -0.249 0.000 2.682 131 F HA 0.642 5.168 4.527 -0.002 0.000 0.308 131 F C 0.239 176.038 175.800 -0.002 0.000 1.093 131 F CA -1.005 56.894 58.000 -0.167 0.000 1.244 131 F CB -0.193 38.675 39.000 -0.220 0.000 1.052 131 F HN 0.308 nan 8.300 nan 0.000 0.573 132 S N -1.147 114.465 115.700 -0.148 0.000 2.570 132 S HA 0.489 4.959 4.470 -0.001 0.000 0.270 132 S C -1.656 172.951 174.600 0.012 0.000 1.149 132 S CA -0.944 57.258 58.200 0.004 0.000 0.837 132 S CB 2.114 65.322 63.200 0.014 0.000 1.124 132 S HN 0.011 nan 8.310 nan 0.000 0.465 133 D N 1.311 121.716 120.400 0.007 0.000 2.177 133 D HA 0.678 5.317 4.640 -0.001 0.000 0.247 133 D C 0.075 176.342 176.300 -0.055 0.000 1.063 133 D CA 0.017 53.978 54.000 -0.066 0.000 0.867 133 D CB 1.704 42.443 40.800 -0.102 0.000 1.168 133 D HN 0.848 nan 8.370 nan 0.000 0.445 134 A N 3.022 125.792 122.820 -0.083 0.000 2.282 134 A HA 0.657 4.976 4.320 -0.001 0.000 0.319 134 A C -2.307 175.247 177.584 -0.051 0.000 1.121 134 A CA -1.238 50.772 52.037 -0.044 0.000 0.836 134 A CB 0.425 19.397 19.000 -0.046 0.000 1.146 134 A HN 0.386 nan 8.150 nan 0.000 0.494 135 P HA 0.269 nan 4.420 nan 0.000 0.271 135 P C 0.713 177.989 177.300 -0.039 0.000 1.218 135 P CA 1.290 64.372 63.100 -0.029 0.000 0.780 135 P CB 0.899 32.594 31.700 -0.008 0.000 0.901 136 G N 1.058 109.828 108.800 -0.050 0.000 2.148 136 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.254 136 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.254 136 G C 0.191 175.046 174.900 -0.076 0.000 0.981 136 G CA 0.146 45.213 45.100 -0.054 0.000 0.670 136 G HN 0.741 nan 8.290 nan 0.000 0.528 137 Q N -0.024 119.713 119.800 -0.104 0.000 2.293 137 Q HA 0.628 4.967 4.340 -0.001 0.000 0.263 137 Q C 1.728 177.620 176.000 -0.180 0.000 1.002 137 Q CA 0.442 56.158 55.803 -0.146 0.000 0.910 137 Q CB 0.775 29.387 28.738 -0.210 0.000 1.185 137 Q HN 0.641 nan 8.270 nan 0.000 0.401 138 A N 4.369 127.087 122.820 -0.170 0.000 1.933 138 A HA -0.120 4.199 4.320 -0.001 0.000 0.218 138 A C -0.154 177.084 177.584 -0.575 0.000 1.175 138 A CA 1.287 53.145 52.037 -0.297 0.000 0.628 138 A CB -0.178 18.713 19.000 -0.182 0.000 0.814 138 A HN 0.845 nan 8.150 nan 0.000 0.444 139 H N -1.884 117.050 119.070 -0.225 0.000 2.679 139 H HA 0.521 5.076 4.556 -0.001 0.000 0.360 139 H C -0.355 174.717 175.328 -0.426 0.000 1.105 139 H CA -0.170 55.718 56.048 -0.266 0.000 1.196 139 H CB 1.585 31.194 29.762 -0.254 0.000 1.636 139 H HN 0.154 nan 8.280 nan 0.000 0.531 140 S N 1.331 116.907 115.700 -0.207 0.000 2.580 140 S HA 0.082 4.552 4.470 -0.001 0.000 0.274 140 S C -0.107 174.383 174.600 -0.184 0.000 1.329 140 S CA -0.390 57.658 58.200 -0.254 0.000 1.036 140 S CB 0.353 63.486 63.200 -0.111 0.000 0.919 140 S HN 0.586 nan 8.310 nan 0.000 0.515 141 Y N 2.577 122.874 120.300 -0.005 0.000 2.532 141 Y HA 0.306 4.855 4.550 -0.002 0.000 0.283 141 Y C 1.790 177.703 175.900 0.022 0.000 1.181 141 Y CA -0.506 57.615 58.100 0.035 0.000 1.256 141 Y CB -0.489 37.953 38.460 -0.029 0.000 1.112 141 Y HN 0.731 nan 8.280 nan 0.000 0.521 142 K N 0.056 120.482 120.400 0.043 0.000 2.074 142 K HA -0.224 4.096 4.320 -0.001 0.000 0.209 142 K C 0.242 176.700 176.600 -0.236 0.000 1.048 142 K CA 1.927 58.098 56.287 -0.194 0.000 0.926 142 K CB -0.178 32.038 32.500 -0.474 0.000 0.713 142 K HN 0.312 nan 8.250 nan 0.000 0.444 143 Y N -0.170 120.236 120.300 0.176 0.000 2.625 143 Y HA 0.350 4.900 4.550 0.000 0.000 0.285 143 Y C 0.572 176.465 175.900 -0.010 0.000 1.168 143 Y CA 0.136 58.259 58.100 0.039 0.000 1.250 143 Y CB 1.011 39.423 38.460 -0.079 0.000 1.130 143 Y HN 0.308 nan 8.280 nan 0.000 0.526 144 G N -0.657 108.302 108.800 0.264 0.000 2.355 144 G HA2 0.200 4.159 3.960 -0.001 0.000 0.619 144 G HA3 0.200 4.159 3.960 -0.001 0.000 0.619 144 G C 0.014 175.124 174.900 0.350 0.000 1.337 144 G CA -0.238 44.992 45.100 0.217 0.000 0.993 144 G HN 0.284 nan 8.290 nan 0.000 0.599 145 S N -1.135 114.649 115.700 0.139 0.000 3.799 145 S HA 0.345 4.815 4.470 -0.001 0.000 0.170 145 S C 2.048 176.676 174.600 0.046 0.000 0.840 145 S CA 0.609 58.802 58.200 -0.011 0.000 1.025 145 S CB -0.256 62.604 63.200 -0.567 0.000 1.455 145 S HN 0.872 nan 8.310 nan 0.000 0.804 146 L N 2.801 124.013 121.223 -0.018 0.000 2.275 146 L HA 0.088 4.427 4.340 -0.001 0.000 0.215 146 L C 2.086 179.009 176.870 0.089 0.000 1.119 146 L CA 1.418 56.258 54.840 0.000 0.000 0.790 146 L CB -0.467 41.544 42.059 -0.079 0.000 0.919 146 L HN 0.693 nan 8.230 nan 0.000 0.443 147 S N -3.184 112.615 115.700 0.166 0.000 2.593 147 S HA 0.057 4.526 4.470 -0.001 0.000 0.236 147 S C 0.660 175.355 174.600 0.158 0.000 0.991 147 S CA -0.607 57.703 58.200 0.184 0.000 0.963 147 S CB -0.330 63.006 63.200 0.227 0.000 0.865 147 S HN 0.288 nan 8.310 nan 0.000 0.488 148 H N 2.881 122.003 119.070 0.087 0.000 2.948 148 H HA 0.050 4.606 4.556 -0.001 0.000 0.351 148 H C 1.676 177.043 175.328 0.064 0.000 1.079 148 H CA 1.673 57.779 56.048 0.096 0.000 1.407 148 H CB 1.463 31.295 29.762 0.117 0.000 1.373 148 H HN 0.462 nan 8.280 nan 0.000 0.605 149 T N 1.128 115.730 114.554 0.080 0.000 2.833 149 T HA -0.177 4.172 4.350 -0.001 0.000 0.269 149 T C 0.951 175.771 174.700 0.200 0.000 1.054 149 T CA 0.776 62.940 62.100 0.108 0.000 1.135 149 T CB -0.092 68.778 68.868 0.004 0.000 0.869 149 T HN 0.455 nan 8.240 nan 0.000 0.466 150 N N 1.023 119.980 118.700 0.429 0.000 2.430 150 N HA 0.522 5.262 4.740 -0.001 0.000 0.265 150 N C 1.084 176.600 175.510 0.010 0.000 1.100 150 N CA 0.356 53.495 53.050 0.148 0.000 0.961 150 N CB 1.091 39.599 38.487 0.035 0.000 1.075 150 N HN 0.224 nan 8.380 nan 0.000 0.478 151 A N 4.003 126.807 122.820 -0.025 0.000 1.902 151 A HA -0.111 4.208 4.320 -0.001 0.000 0.217 151 A C 2.100 179.607 177.584 -0.128 0.000 1.181 151 A CA 1.882 53.887 52.037 -0.053 0.000 0.623 151 A CB -1.212 17.765 19.000 -0.039 0.000 0.818 151 A HN 0.787 nan 8.150 nan 0.000 0.443 152 A N -0.945 121.741 122.820 -0.223 0.000 1.908 152 A HA -0.114 4.206 4.320 -0.001 0.000 0.218 152 A C 2.299 179.589 177.584 -0.490 0.000 1.181 152 A CA 2.373 54.187 52.037 -0.371 0.000 0.627 152 A CB -1.277 17.397 19.000 -0.543 0.000 0.818 152 A HN 0.452 nan 8.150 nan 0.000 0.445 153 T N -0.366 113.857 114.554 -0.552 0.000 2.777 153 T HA -0.114 4.235 4.350 -0.001 0.000 0.266 153 T C 2.039 176.690 174.700 -0.082 0.000 1.040 153 T CA 1.391 63.267 62.100 -0.373 0.000 1.141 153 T CB -0.221 68.308 68.868 -0.565 0.000 0.868 153 T HN 0.512 nan 8.240 nan 0.000 0.444 154 R N 1.094 121.557 120.500 -0.061 0.000 2.075 154 R HA 0.068 4.408 4.340 -0.001 0.000 0.232 154 R C 2.852 179.140 176.300 -0.019 0.000 1.126 154 R CA 1.271 57.371 56.100 -0.001 0.000 0.963 154 R CB -0.516 29.788 30.300 0.006 0.000 0.858 154 R HN 0.364 nan 8.270 nan 0.000 0.435 155 A N 1.160 123.951 122.820 -0.048 0.000 1.933 155 A HA -0.230 4.089 4.320 -0.001 0.000 0.218 155 A C 2.117 179.697 177.584 -0.008 0.000 1.175 155 A CA 1.314 53.329 52.037 -0.037 0.000 0.628 155 A CB -0.459 18.511 19.000 -0.050 0.000 0.814 155 A HN 0.385 nan 8.150 nan 0.000 0.444 156 Q N -0.516 119.286 119.800 0.004 0.000 2.119 156 Q HA -0.097 4.242 4.340 -0.001 0.000 0.201 156 Q C 2.149 178.227 176.000 0.129 0.000 0.972 156 Q CA 1.422 57.264 55.803 0.066 0.000 0.847 156 Q CB -0.317 28.466 28.738 0.076 0.000 0.903 156 Q HN 0.591 nan 8.270 nan 0.000 0.433 157 A N 0.024 122.923 122.820 0.132 0.000 1.930 157 A HA -0.107 4.212 4.320 -0.001 0.000 0.217 157 A C 2.194 179.801 177.584 0.039 0.000 1.175 157 A CA 1.363 53.439 52.037 0.066 0.000 0.627 157 A CB -0.642 18.318 19.000 -0.066 0.000 0.815 157 A HN 0.297 nan 8.150 nan 0.000 0.443 158 V N 0.279 120.196 119.914 0.006 0.000 2.295 158 V HA -0.218 3.902 4.120 -0.001 0.000 0.246 158 V C 2.597 178.684 176.094 -0.011 0.000 1.049 158 V CA 2.153 64.440 62.300 -0.022 0.000 1.024 158 V CB -0.694 31.106 31.823 -0.039 0.000 0.648 158 V HN 0.504 nan 8.190 nan 0.000 0.447 159 E N -0.481 119.725 120.200 0.011 0.000 2.118 159 E HA -0.236 4.113 4.350 -0.001 0.000 0.195 159 E C 2.145 178.757 176.600 0.019 0.000 0.992 159 E CA 1.480 57.883 56.400 0.006 0.000 0.804 159 E CB -0.578 29.134 29.700 0.019 0.000 0.741 159 E HN 0.762 nan 8.360 nan 0.000 0.458 160 H N 1.000 120.056 119.070 -0.025 0.000 2.321 160 H HA -0.056 4.499 4.556 -0.001 0.000 0.300 160 H C 1.733 177.028 175.328 -0.055 0.000 1.087 160 H CA 1.335 57.364 56.048 -0.031 0.000 1.319 160 H CB 0.227 29.980 29.762 -0.015 0.000 1.379 160 H HN 0.108 nan 8.280 nan 0.000 0.501 161 N N 0.677 119.304 118.700 -0.122 0.000 2.166 161 N HA -0.119 4.621 4.740 -0.001 0.000 0.186 161 N C 2.337 177.740 175.510 -0.180 0.000 1.019 161 N CA 0.932 53.877 53.050 -0.175 0.000 0.856 161 N CB -0.044 38.400 38.487 -0.072 0.000 0.993 161 N HN 0.384 nan 8.380 nan 0.000 0.426 162 L N 1.210 122.348 121.223 -0.142 0.000 2.083 162 L HA -0.134 4.205 4.340 -0.001 0.000 0.209 162 L C 2.481 179.246 176.870 -0.174 0.000 1.083 162 L CA 0.998 55.746 54.840 -0.154 0.000 0.752 162 L CB -0.369 41.619 42.059 -0.118 0.000 0.899 162 L HN 0.243 nan 8.230 nan 0.000 0.433 163 E N -0.167 119.930 120.200 -0.171 0.000 2.110 163 E HA -0.231 4.118 4.350 -0.001 0.000 0.193 163 E C 2.337 178.826 176.600 -0.184 0.000 0.988 163 E CA 1.555 57.858 56.400 -0.162 0.000 0.804 163 E CB 0.006 29.622 29.700 -0.139 0.000 0.745 163 E HN 0.534 nan 8.360 nan 0.000 0.458 164 C N 0.536 119.686 119.300 -0.249 0.000 2.413 164 C HA -0.109 4.350 4.460 -0.001 0.000 0.277 164 C C 2.544 177.484 174.990 -0.083 0.000 1.265 164 C CA 0.454 59.363 59.018 -0.181 0.000 1.752 164 C CB -0.877 26.736 27.740 -0.212 0.000 1.998 164 C HN 0.506 nan 8.230 nan 0.000 0.489 165 I N 0.629 121.105 120.570 -0.156 0.000 2.226 165 I HA -0.170 3.999 4.170 -0.001 0.000 0.245 165 I C 2.617 178.549 176.117 -0.309 0.000 1.100 165 I CA 1.318 62.423 61.300 -0.326 0.000 1.374 165 I CB -0.588 37.104 38.000 -0.513 0.000 1.057 165 I HN 0.340 nan 8.210 nan 0.000 0.413 166 E N 0.969 121.036 120.200 -0.221 0.000 2.051 166 E HA -0.183 4.166 4.350 -0.001 0.000 0.192 166 E C 2.276 178.820 176.600 -0.092 0.000 0.991 166 E CA 1.359 57.661 56.400 -0.164 0.000 0.799 166 E CB -0.265 29.357 29.700 -0.130 0.000 0.748 166 E HN 0.530 nan 8.360 nan 0.000 0.449 167 I N 0.549 121.077 120.570 -0.070 0.000 2.226 167 I HA -0.189 3.980 4.170 -0.001 0.000 0.245 167 I C 2.488 178.602 176.117 -0.004 0.000 1.100 167 I CA 1.304 62.576 61.300 -0.046 0.000 1.374 167 I CB -0.591 37.377 38.000 -0.054 0.000 1.057 167 I HN 0.114 nan 8.210 nan 0.000 0.413 168 G N 0.932 109.790 108.800 0.097 0.000 2.418 168 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.217 168 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.217 168 G C 1.721 176.819 174.900 0.329 0.000 1.158 168 G CA 0.568 45.831 45.100 0.270 0.000 0.771 168 G HN 0.322 nan 8.290 nan 0.000 0.545 169 K N 0.535 121.089 120.400 0.257 0.000 2.147 169 K HA 0.064 4.383 4.320 -0.001 0.000 0.205 169 K C 2.728 179.384 176.600 0.095 0.000 1.049 169 K CA 0.972 57.372 56.287 0.188 0.000 0.936 169 K CB -0.133 32.334 32.500 -0.055 0.000 0.722 169 K HN 0.287 nan 8.250 nan 0.000 0.446 170 A N 1.193 124.033 122.820 0.032 0.000 2.119 170 A HA -0.000 4.319 4.320 -0.001 0.000 0.216 170 A C 1.860 179.438 177.584 -0.010 0.000 1.152 170 A CA 0.699 52.737 52.037 0.002 0.000 0.708 170 A CB -0.461 18.524 19.000 -0.025 0.000 0.805 170 A HN 0.455 nan 8.150 nan 0.000 0.460 171 I N -6.358 114.195 120.570 -0.029 0.000 4.082 171 I HA 0.535 4.705 4.170 -0.001 0.000 0.337 171 I C 1.057 177.211 176.117 0.060 0.000 1.352 171 I CA 0.549 61.796 61.300 -0.089 0.000 1.097 171 I CB 0.510 38.240 38.000 -0.451 0.000 1.048 171 I HN 0.258 nan 8.210 nan 0.000 0.393 172 G N 1.446 110.302 108.800 0.094 0.000 2.179 172 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.220 172 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.220 172 G C 0.323 175.264 174.900 0.068 0.000 0.990 172 G CA 0.199 45.365 45.100 0.109 0.000 0.646 172 G HN 0.510 nan 8.290 nan 0.000 0.517 173 S N -0.156 115.582 115.700 0.063 0.000 2.584 173 S HA 0.573 5.042 4.470 -0.001 0.000 0.270 173 S C 0.952 175.240 174.600 -0.519 0.000 1.346 173 S CA 0.382 58.506 58.200 -0.127 0.000 1.018 173 S CB 0.705 63.865 63.200 -0.067 0.000 0.899 173 S HN 0.203 nan 8.310 nan 0.000 0.542 174 K N 1.380 121.224 120.400 -0.926 0.000 2.619 174 K HA 0.475 4.795 4.320 -0.001 0.000 0.201 174 K C -0.530 175.077 176.600 -1.655 0.000 1.090 174 K CA -0.011 55.390 56.287 -1.478 0.000 1.063 174 K CB 0.705 32.828 32.500 -0.629 0.000 0.810 174 K HN 0.597 nan 8.250 nan 0.000 0.506 175 A N 0.656 122.503 122.820 -1.622 0.000 2.608 175 A HA 0.668 4.988 4.320 -0.001 0.000 0.292 175 A C -2.133 175.243 177.584 -0.347 0.000 1.066 175 A CA -0.735 50.807 52.037 -0.825 0.000 0.676 175 A CB 1.255 19.932 19.000 -0.539 0.000 1.277 175 A HN 0.085 nan 8.150 nan 0.000 0.413 176 L N 0.696 121.881 121.223 -0.063 0.000 2.376 176 L HA 0.756 5.096 4.340 -0.001 0.000 0.275 176 L C -0.534 176.398 176.870 0.103 0.000 0.987 176 L CA 0.262 55.171 54.840 0.114 0.000 0.828 176 L CB 1.981 44.154 42.059 0.191 0.000 1.249 176 L HN 0.641 nan 8.230 nan 0.000 0.409 177 T N 4.603 119.271 114.554 0.190 0.000 2.767 177 T HA 0.589 4.939 4.350 -0.001 0.000 0.288 177 T C -0.611 174.210 174.700 0.201 0.000 0.963 177 T CA -0.257 62.014 62.100 0.285 0.000 1.019 177 T CB 1.118 70.195 68.868 0.349 0.000 0.923 177 T HN 0.377 nan 8.240 nan 0.000 0.468 178 V N 4.682 124.732 119.914 0.227 0.000 2.326 178 V HA 0.452 4.571 4.120 -0.001 0.000 0.281 178 V C -0.901 175.353 176.094 0.266 0.000 1.015 178 V CA -1.006 61.412 62.300 0.196 0.000 0.823 178 V CB 0.856 32.765 31.823 0.145 0.000 1.009 178 V HN 0.905 nan 8.190 nan 0.000 0.436 179 W N 8.253 129.626 121.300 0.122 0.000 2.656 179 W HA 0.839 5.499 4.660 -0.001 0.000 0.327 179 W C -0.895 175.703 176.519 0.131 0.000 1.041 179 W CA -0.949 56.456 57.345 0.101 0.000 1.229 179 W CB 1.410 30.910 29.460 0.067 0.000 1.397 179 W HN 0.595 nan 8.180 nan 0.000 0.479 180 I N 2.771 122.690 120.570 -1.085 0.000 2.969 180 I HA 0.772 4.941 4.170 -0.001 0.000 0.307 180 I C 0.708 176.066 176.117 -1.265 0.000 1.149 180 I CA -1.173 59.555 61.300 -0.953 0.000 1.008 180 I CB 2.084 39.872 38.000 -0.353 0.000 1.232 180 I HN 0.656 nan 8.210 nan 0.000 0.435 181 G N 1.303 109.604 108.800 -0.833 0.000 2.880 181 G HA2 0.024 3.984 3.960 -0.001 0.000 0.209 181 G HA3 0.024 3.984 3.960 -0.001 0.000 0.209 181 G C 0.030 174.768 174.900 -0.269 0.000 1.157 181 G CA -0.098 44.691 45.100 -0.519 0.000 0.779 181 G HN 0.739 nan 8.290 nan 0.000 0.539 182 D N 1.020 121.287 120.400 -0.221 0.000 2.772 182 D HA 0.388 5.027 4.640 -0.001 0.000 0.227 182 D C 0.895 177.144 176.300 -0.085 0.000 1.114 182 D CA 1.790 55.732 54.000 -0.097 0.000 0.832 182 D CB 0.572 41.344 40.800 -0.046 0.000 1.154 182 D HN 0.397 nan 8.370 nan 0.000 0.514 183 G N 0.209 108.995 108.800 -0.024 0.000 2.325 183 G HA2 0.514 4.474 3.960 -0.001 0.000 0.295 183 G HA3 0.514 4.474 3.960 -0.001 0.000 0.295 183 G C -1.323 173.621 174.900 0.073 0.000 1.274 183 G CA -0.285 44.816 45.100 0.001 0.000 0.857 183 G HN 0.635 nan 8.290 nan 0.000 0.499 184 S N -1.175 114.601 115.700 0.126 0.000 2.599 184 S HA 0.661 5.131 4.470 -0.001 0.000 0.294 184 S C -0.186 174.541 174.600 0.212 0.000 1.094 184 S CA -0.820 57.507 58.200 0.211 0.000 0.931 184 S CB 2.311 65.694 63.200 0.306 0.000 1.093 184 S HN 0.409 nan 8.310 nan 0.000 0.488 185 N N -0.522 118.278 118.700 0.167 0.000 2.220 185 N HA 0.398 5.137 4.740 -0.001 0.000 0.195 185 N C -1.400 173.857 175.510 -0.422 0.000 1.123 185 N CA 0.210 53.217 53.050 -0.073 0.000 0.874 185 N CB 0.048 38.419 38.487 -0.193 0.000 0.995 185 N HN 0.589 nan 8.380 nan 0.000 0.498 186 F N 0.123 120.146 119.950 0.122 0.000 2.578 186 F HA 0.458 4.984 4.527 -0.002 0.000 0.311 186 F C -2.255 173.363 175.800 -0.304 0.000 1.094 186 F CA -2.482 55.454 58.000 -0.107 0.000 0.923 186 F CB 1.949 40.917 39.000 -0.053 0.000 1.230 186 F HN -0.295 nan 8.300 nan 0.000 0.450 187 P HA 0.228 nan 4.420 nan 0.000 0.268 187 P C 0.687 177.903 177.300 -0.140 0.000 1.204 187 P CA 1.143 63.930 63.100 -0.520 0.000 0.768 187 P CB 0.769 32.181 31.700 -0.480 0.000 0.842 188 G N 2.261 110.998 108.800 -0.106 0.000 2.299 188 G HA2 -0.361 3.599 3.960 -0.001 0.000 0.237 188 G HA3 -0.361 3.599 3.960 -0.001 0.000 0.237 188 G C 1.288 176.148 174.900 -0.068 0.000 1.027 188 G CA 0.499 45.537 45.100 -0.103 0.000 0.619 188 G HN 0.565 nan 8.290 nan 0.000 0.513 189 Q N 0.659 120.465 119.800 0.009 0.000 2.112 189 Q HA 0.059 4.398 4.340 -0.001 0.000 0.206 189 Q C 0.828 176.826 176.000 -0.003 0.000 0.987 189 Q CA 1.856 57.680 55.803 0.035 0.000 0.858 189 Q CB -0.100 28.738 28.738 0.167 0.000 0.905 189 Q HN 0.573 nan 8.270 nan 0.000 0.420 190 S N 0.633 116.331 115.700 -0.003 0.000 2.542 190 S HA 0.282 4.751 4.470 -0.001 0.000 0.293 190 S C -0.961 173.543 174.600 -0.161 0.000 1.089 190 S CA -0.931 57.253 58.200 -0.027 0.000 0.961 190 S CB 1.575 64.823 63.200 0.079 0.000 1.062 190 S HN 0.317 nan 8.310 nan 0.000 0.483 191 N N 2.081 120.716 118.700 -0.109 0.000 2.437 191 N HA 0.133 4.872 4.740 -0.001 0.000 0.243 191 N C 0.400 175.900 175.510 -0.016 0.000 1.041 191 N CA -0.298 52.662 53.050 -0.149 0.000 0.940 191 N CB 0.028 38.477 38.487 -0.063 0.000 1.133 191 N HN 0.397 nan 8.380 nan 0.000 0.506 192 F N 2.223 122.198 119.950 0.043 0.000 2.063 192 F HA -0.253 4.274 4.527 -0.000 0.000 0.298 192 F C 2.483 178.319 175.800 0.060 0.000 1.105 192 F CA 1.401 59.415 58.000 0.023 0.000 1.215 192 F CB -1.327 37.669 39.000 -0.007 0.000 0.972 192 F HN 0.414 nan 8.300 nan 0.000 0.483 193 T N -0.264 114.451 114.554 0.268 0.000 2.708 193 T HA -0.164 4.186 4.350 -0.001 0.000 0.266 193 T C 2.086 176.893 174.700 0.179 0.000 1.037 193 T CA 1.554 63.785 62.100 0.218 0.000 1.146 193 T CB -0.255 68.703 68.868 0.150 0.000 0.865 193 T HN 0.159 nan 8.240 nan 0.000 0.435 194 R N 0.906 121.476 120.500 0.117 0.000 2.096 194 R HA 0.070 4.410 4.340 -0.001 0.000 0.235 194 R C 2.747 179.114 176.300 0.111 0.000 1.127 194 R CA 1.169 57.319 56.100 0.083 0.000 0.968 194 R CB -0.405 29.921 30.300 0.043 0.000 0.861 194 R HN 0.350 nan 8.270 nan 0.000 0.440 195 A N 0.533 123.439 122.820 0.144 0.000 1.902 195 A HA -0.176 4.143 4.320 -0.001 0.000 0.217 195 A C 1.890 179.624 177.584 0.251 0.000 1.181 195 A CA 1.019 53.153 52.037 0.162 0.000 0.623 195 A CB -0.529 18.562 19.000 0.153 0.000 0.818 195 A HN 0.329 nan 8.150 nan 0.000 0.443 196 F N 1.033 121.024 119.950 0.068 0.000 2.206 196 F HA -0.031 4.494 4.527 -0.003 0.000 0.298 196 F C 2.061 177.924 175.800 0.106 0.000 1.090 196 F CA 1.521 59.557 58.000 0.060 0.000 1.323 196 F CB -0.503 38.503 39.000 0.010 0.000 1.028 196 F HN 0.389 nan 8.300 nan 0.000 0.492 197 E N -0.197 120.033 120.200 0.049 0.000 2.077 197 E HA -0.199 4.150 4.350 -0.001 0.000 0.193 197 E C 2.323 178.906 176.600 -0.028 0.000 0.989 197 E CA 1.157 57.511 56.400 -0.076 0.000 0.800 197 E CB -0.144 29.542 29.700 -0.024 0.000 0.746 197 E HN 0.392 nan 8.360 nan 0.000 0.452 198 R N -0.133 120.399 120.500 0.053 0.000 2.081 198 R HA -0.169 4.171 4.340 -0.001 0.000 0.235 198 R C 2.344 178.687 176.300 0.071 0.000 1.131 198 R CA 1.409 57.542 56.100 0.055 0.000 0.960 198 R CB -0.445 29.905 30.300 0.083 0.000 0.856 198 R HN 0.286 nan 8.270 nan 0.000 0.436 199 Y N 1.732 122.040 120.300 0.014 0.000 2.145 199 Y HA -0.180 4.369 4.550 -0.002 0.000 0.286 199 Y C 1.985 177.861 175.900 -0.041 0.000 1.145 199 Y CA 1.432 59.548 58.100 0.026 0.000 1.148 199 Y CB -0.304 38.239 38.460 0.138 0.000 0.981 199 Y HN -0.074 nan 8.280 nan 0.000 0.507 200 L N -0.737 120.493 121.223 0.012 0.000 2.042 200 L HA -0.264 4.076 4.340 -0.001 0.000 0.210 200 L C 2.552 179.312 176.870 -0.183 0.000 1.076 200 L CA 1.645 56.392 54.840 -0.156 0.000 0.749 200 L CB -0.734 41.143 42.059 -0.303 0.000 0.893 200 L HN 0.176 nan 8.230 nan 0.000 0.432 201 S N -0.289 115.328 115.700 -0.138 0.000 2.368 201 S HA -0.145 4.325 4.470 -0.001 0.000 0.224 201 S C 2.173 176.699 174.600 -0.123 0.000 1.029 201 S CA 1.139 59.271 58.200 -0.114 0.000 0.988 201 S CB -0.243 62.910 63.200 -0.078 0.000 0.838 201 S HN 0.503 nan 8.310 nan 0.000 0.462 202 A N 1.956 124.688 122.820 -0.147 0.000 1.877 202 A HA -0.057 4.263 4.320 -0.001 0.000 0.216 202 A C 2.139 179.609 177.584 -0.190 0.000 1.186 202 A CA 1.376 53.320 52.037 -0.155 0.000 0.620 202 A CB -0.564 18.338 19.000 -0.164 0.000 0.822 202 A HN 0.351 nan 8.150 nan 0.000 0.443 203 M N -0.295 119.121 119.600 -0.307 0.000 2.149 203 M HA -0.148 4.331 4.480 -0.001 0.000 0.261 203 M C 2.494 178.733 176.300 -0.103 0.000 1.064 203 M CA 1.552 56.701 55.300 -0.253 0.000 1.102 203 M CB -1.491 30.884 32.600 -0.374 0.000 1.369 203 M HN 0.509 nan 8.290 nan 0.000 0.408 204 A N -0.088 122.660 122.820 -0.120 0.000 1.940 204 A HA -0.167 4.152 4.320 -0.001 0.000 0.219 204 A C 2.099 179.675 177.584 -0.014 0.000 1.176 204 A CA 1.501 53.489 52.037 -0.082 0.000 0.631 204 A CB -0.471 18.458 19.000 -0.117 0.000 0.814 204 A HN 0.400 nan 8.150 nan 0.000 0.446 205 E N -0.031 120.143 120.200 -0.044 0.000 2.072 205 E HA -0.123 4.226 4.350 -0.001 0.000 0.191 205 E C 1.988 178.575 176.600 -0.022 0.000 0.985 205 E CA 1.019 57.399 56.400 -0.033 0.000 0.801 205 E CB -0.406 29.262 29.700 -0.053 0.000 0.750 205 E HN 0.735 nan 8.360 nan 0.000 0.452 206 I N 0.158 120.709 120.570 -0.031 0.000 2.226 206 I HA -0.300 3.869 4.170 -0.001 0.000 0.245 206 I C 2.407 178.517 176.117 -0.011 0.000 1.100 206 I CA 1.057 62.334 61.300 -0.039 0.000 1.374 206 I CB -0.352 37.619 38.000 -0.049 0.000 1.057 206 I HN 0.081 nan 8.210 nan 0.000 0.413 207 Y N 2.101 122.350 120.300 -0.087 0.000 2.207 207 Y HA -0.293 4.257 4.550 -0.000 0.000 0.287 207 Y C 2.432 178.288 175.900 -0.074 0.000 1.156 207 Y CA 1.695 59.753 58.100 -0.069 0.000 1.182 207 Y CB -0.170 38.254 38.460 -0.059 0.000 0.979 207 Y HN 0.022 nan 8.280 nan 0.000 0.521 208 K N -0.964 119.503 120.400 0.112 0.000 2.152 208 K HA -0.128 4.192 4.320 -0.001 0.000 0.206 208 K C 2.033 178.584 176.600 -0.082 0.000 1.048 208 K CA 1.097 57.403 56.287 0.031 0.000 0.933 208 K CB -0.521 31.988 32.500 0.014 0.000 0.721 208 K HN 0.440 nan 8.250 nan 0.000 0.447 209 G N 0.831 109.556 108.800 -0.125 0.000 2.920 209 G HA2 0.051 4.010 3.960 -0.001 0.000 0.208 209 G HA3 0.051 4.010 3.960 -0.001 0.000 0.208 209 G C 0.329 175.054 174.900 -0.292 0.000 1.159 209 G CA -0.231 44.755 45.100 -0.190 0.000 0.784 209 G HN 0.028 nan 8.290 nan 0.000 0.535 210 L N 1.334 122.371 121.223 -0.311 0.000 2.367 210 L HA 0.279 4.618 4.340 -0.001 0.000 0.275 210 L C -1.923 174.753 176.870 -0.323 0.000 1.129 210 L CA -1.784 52.834 54.840 -0.369 0.000 0.839 210 L CB 1.244 43.081 42.059 -0.370 0.000 1.133 210 L HN -0.084 nan 8.230 nan 0.000 0.453 211 P HA 0.020 nan 4.420 nan 0.000 0.271 211 P C -0.021 177.237 177.300 -0.069 0.000 1.244 211 P CA -0.343 62.615 63.100 -0.236 0.000 0.793 211 P CB 0.555 32.075 31.700 -0.300 0.000 0.984 212 D N 0.302 120.685 120.400 -0.028 0.000 2.218 212 D HA -0.137 4.503 4.640 -0.001 0.000 0.204 212 D C 0.714 177.037 176.300 0.039 0.000 0.976 212 D CA 1.365 55.363 54.000 -0.004 0.000 0.853 212 D CB -0.332 40.468 40.800 0.000 0.000 0.939 212 D HN 0.532 nan 8.370 nan 0.000 0.481 213 D N -1.356 119.105 120.400 0.103 0.000 2.463 213 D HA -0.019 4.620 4.640 -0.001 0.000 0.224 213 D C -0.098 176.279 176.300 0.128 0.000 1.174 213 D CA -0.500 53.558 54.000 0.096 0.000 0.829 213 D CB -0.586 40.259 40.800 0.075 0.000 0.993 213 D HN 0.048 nan 8.370 nan 0.000 0.497 214 W N 0.846 122.066 121.300 -0.132 0.000 2.578 214 W HA 0.557 5.216 4.660 -0.001 0.000 0.353 214 W C 0.175 176.555 176.519 -0.232 0.000 1.088 214 W CA -0.667 56.574 57.345 -0.174 0.000 1.235 214 W CB 1.431 30.778 29.460 -0.189 0.000 1.362 214 W HN -0.399 nan 8.180 nan 0.000 0.592 215 K N 1.335 121.634 120.400 -0.169 0.000 2.318 215 K HA 0.640 4.959 4.320 -0.001 0.000 0.249 215 K C -1.695 174.617 176.600 -0.480 0.000 0.942 215 K CA -0.854 55.209 56.287 -0.374 0.000 0.808 215 K CB 1.646 33.757 32.500 -0.647 0.000 1.189 215 K HN 0.270 nan 8.250 nan 0.000 0.428 216 L N 3.667 124.677 121.223 -0.356 0.000 2.316 216 L HA 0.565 4.904 4.340 -0.001 0.000 0.280 216 L C -1.767 175.060 176.870 -0.071 0.000 1.006 216 L CA -0.227 54.502 54.840 -0.185 0.000 0.836 216 L CB 0.378 42.443 42.059 0.010 0.000 1.221 216 L HN 0.398 nan 8.230 nan 0.000 0.418 217 F N 2.871 122.890 119.950 0.115 0.000 2.415 217 F HA 0.602 5.128 4.527 -0.002 0.000 0.348 217 F C 0.624 176.501 175.800 0.128 0.000 1.119 217 F CA -0.817 57.248 58.000 0.109 0.000 1.069 217 F CB 1.618 40.662 39.000 0.073 0.000 1.124 217 F HN 0.537 nan 8.300 nan 0.000 0.472 218 S N 1.591 117.502 115.700 0.351 0.000 2.489 218 S HA 0.553 5.022 4.470 -0.001 0.000 0.291 218 S C -0.687 174.057 174.600 0.240 0.000 1.151 218 S CA -0.886 57.494 58.200 0.301 0.000 1.082 218 S CB 2.008 65.405 63.200 0.328 0.000 1.019 218 S HN 0.690 nan 8.310 nan 0.000 0.492 219 E N 2.618 122.956 120.200 0.230 0.000 2.155 219 E HA 0.196 4.546 4.350 -0.001 0.000 0.264 219 E C -0.328 176.398 176.600 0.211 0.000 0.886 219 E CA -0.746 55.736 56.400 0.136 0.000 0.752 219 E CB 0.601 30.375 29.700 0.124 0.000 1.133 219 E HN 0.918 nan 8.360 nan 0.000 0.414 220 H N 3.151 122.301 119.070 0.133 0.000 2.547 220 H HA 0.487 5.043 4.556 -0.001 0.000 0.362 220 H C -0.805 174.599 175.328 0.127 0.000 1.181 220 H CA -0.583 55.520 56.048 0.092 0.000 1.376 220 H CB 1.318 31.100 29.762 0.034 0.000 1.488 220 H HN 0.357 nan 8.280 nan 0.000 0.583 221 K N 2.836 123.312 120.400 0.126 0.000 2.571 221 K HA 0.093 4.412 4.320 -0.001 0.000 0.252 221 K C 0.692 177.251 176.600 -0.069 0.000 0.956 221 K CA -0.567 55.671 56.287 -0.081 0.000 0.822 221 K CB 2.443 34.841 32.500 -0.169 0.000 1.286 221 K HN 0.716 nan 8.250 nan 0.000 0.439 222 M N 3.513 123.070 119.600 -0.072 0.000 2.108 222 M HA -0.115 4.364 4.480 -0.001 0.000 0.261 222 M C -0.445 175.924 176.300 0.116 0.000 1.066 222 M CA 1.714 57.041 55.300 0.046 0.000 1.107 222 M CB 0.112 32.816 32.600 0.174 0.000 1.356 222 M HN 0.617 nan 8.290 nan 0.000 0.406 223 Y N -2.417 117.823 120.300 -0.100 0.000 2.741 223 Y HA 0.484 5.033 4.550 -0.001 0.000 0.339 223 Y C -1.167 174.647 175.900 -0.143 0.000 1.226 223 Y CA -1.618 56.416 58.100 -0.111 0.000 1.072 223 Y CB 0.237 38.692 38.460 -0.009 0.000 1.331 223 Y HN 0.325 nan 8.280 nan 0.000 0.453 224 E N 1.766 121.801 120.200 -0.274 0.000 7.504 224 E HA -0.115 4.235 4.350 -0.001 0.000 0.337 224 E C -2.350 174.125 176.600 -0.209 0.000 0.701 224 E CA 0.464 56.629 56.400 -0.393 0.000 1.302 224 E CB 0.168 29.759 29.700 -0.180 0.000 0.927 224 E HN 0.655 nan 8.360 nan 0.000 0.263 225 P HA -0.060 nan 4.420 nan 0.000 0.226 225 P C 0.328 177.153 177.300 -0.792 0.000 1.153 225 P CA 1.367 64.232 63.100 -0.391 0.000 0.777 225 P CB 0.142 31.768 31.700 -0.122 0.000 0.794 226 A N -0.282 122.209 122.820 -0.549 0.000 2.366 226 A HA 0.377 4.696 4.320 -0.001 0.000 0.272 226 A C -0.049 177.227 177.584 -0.515 0.000 1.135 226 A CA -0.339 51.444 52.037 -0.422 0.000 0.804 226 A CB -0.390 18.506 19.000 -0.173 0.000 1.064 226 A HN -0.023 nan 8.150 nan 0.000 0.499 227 F N 1.230 121.223 119.950 0.073 0.000 2.639 227 F HA 0.210 4.736 4.527 -0.002 0.000 0.302 227 F C 0.868 176.701 175.800 0.056 0.000 1.097 227 F CA 0.094 58.129 58.000 0.059 0.000 1.294 227 F CB -0.052 38.955 39.000 0.012 0.000 1.027 227 F HN 0.805 nan 8.300 nan 0.000 0.550 228 Y N -0.152 120.183 120.300 0.058 0.000 2.846 228 Y HA 0.355 4.904 4.550 -0.003 0.000 0.258 228 Y C 0.498 176.430 175.900 0.053 0.000 1.077 228 Y CA 0.290 58.416 58.100 0.044 0.000 1.270 228 Y CB 0.254 38.735 38.460 0.034 0.000 1.476 228 Y HN -0.148 nan 8.280 nan 0.000 0.460 229 S N 0.006 115.564 115.700 -0.237 0.000 2.569 229 S HA 0.749 5.219 4.470 -0.001 0.000 0.280 229 S C -1.036 173.484 174.600 -0.134 0.000 1.111 229 S CA -0.394 57.619 58.200 -0.312 0.000 0.887 229 S CB 2.176 65.259 63.200 -0.195 0.000 1.095 229 S HN 0.119 nan 8.310 nan 0.000 0.476 230 T N 2.351 116.795 114.554 -0.185 0.000 2.861 230 T HA 0.427 4.776 4.350 -0.001 0.000 0.287 230 T C 1.202 175.777 174.700 -0.208 0.000 1.003 230 T CA -0.621 61.387 62.100 -0.154 0.000 0.977 230 T CB 1.647 70.436 68.868 -0.132 0.000 0.996 230 T HN 0.516 nan 8.240 nan 0.000 0.448 231 V N 2.756 122.553 119.914 -0.195 0.000 2.261 231 V HA -0.068 4.052 4.120 -0.001 0.000 0.246 231 V C 1.277 177.115 176.094 -0.427 0.000 1.047 231 V CA 1.425 63.560 62.300 -0.274 0.000 1.015 231 V CB -0.167 31.525 31.823 -0.219 0.000 0.642 231 V HN 0.713 nan 8.190 nan 0.000 0.446 232 V N 3.178 122.871 119.914 -0.368 0.000 2.125 232 V HA 0.114 4.233 4.120 -0.001 0.000 0.263 232 V C 1.367 177.373 176.094 -0.148 0.000 1.365 232 V CA 0.007 62.125 62.300 -0.304 0.000 1.276 232 V CB 0.455 32.147 31.823 -0.219 0.000 1.350 232 V HN 0.627 nan 8.190 nan 0.000 0.487 233 Q N 2.052 121.728 119.800 -0.207 0.000 2.187 233 Q HA -0.032 4.307 4.340 -0.001 0.000 0.199 233 Q C 0.201 176.173 176.000 -0.047 0.000 0.957 233 Q CA 1.607 57.330 55.803 -0.132 0.000 0.857 233 Q CB 0.412 29.024 28.738 -0.210 0.000 0.929 233 Q HN 0.768 nan 8.270 nan 0.000 0.453 234 D N -1.996 118.335 120.400 -0.114 0.000 2.664 234 D HA 0.031 4.671 4.640 -0.001 0.000 0.292 234 D C 0.872 176.911 176.300 -0.435 0.000 1.214 234 D CA -0.514 53.391 54.000 -0.158 0.000 0.932 234 D CB -0.879 39.860 40.800 -0.102 0.000 1.420 234 D HN 0.160 nan 8.370 nan 0.000 0.471 235 W N 0.627 121.452 121.300 -0.791 0.000 2.421 235 W HA 0.088 4.748 4.660 0.001 0.000 0.270 235 W C 0.999 177.392 176.519 -0.210 0.000 1.233 235 W CA 1.143 58.113 57.345 -0.625 0.000 1.226 235 W CB -1.295 27.923 29.460 -0.404 0.000 1.121 235 W HN 0.446 nan 8.180 nan 0.000 0.579 236 G N 1.538 109.710 108.800 -1.048 0.000 2.414 236 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.215 236 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.215 236 G C 1.504 176.145 174.900 -0.431 0.000 1.188 236 G CA 2.035 46.557 45.100 -0.963 0.000 0.783 236 G HN 0.289 nan 8.290 nan 0.000 0.537 237 T N 1.004 115.334 114.554 -0.374 0.000 2.821 237 T HA -0.125 4.224 4.350 -0.001 0.000 0.267 237 T C 2.336 176.968 174.700 -0.114 0.000 1.046 237 T CA 1.217 63.128 62.100 -0.315 0.000 1.139 237 T CB -0.257 68.305 68.868 -0.509 0.000 0.871 237 T HN 0.215 nan 8.240 nan 0.000 0.454 238 N N 0.524 119.178 118.700 -0.077 0.000 2.120 238 N HA -0.111 4.628 4.740 -0.001 0.000 0.188 238 N C 1.569 177.162 175.510 0.137 0.000 1.024 238 N CA 1.148 54.255 53.050 0.095 0.000 0.852 238 N CB -0.462 38.145 38.487 0.200 0.000 1.003 238 N HN 0.473 nan 8.380 nan 0.000 0.424 239 Y N 1.211 121.510 120.300 -0.002 0.000 2.181 239 Y HA -0.060 4.489 4.550 -0.002 0.000 0.288 239 Y C 2.134 178.052 175.900 0.029 0.000 1.146 239 Y CA 1.361 59.476 58.100 0.026 0.000 1.164 239 Y CB -0.448 37.957 38.460 -0.093 0.000 0.982 239 Y HN 0.047 nan 8.280 nan 0.000 0.515 240 L N -0.461 120.731 121.223 -0.052 0.000 2.079 240 L HA -0.262 4.077 4.340 -0.001 0.000 0.210 240 L C 2.404 179.261 176.870 -0.021 0.000 1.081 240 L CA 1.477 56.292 54.840 -0.041 0.000 0.752 240 L CB -0.608 41.544 42.059 0.154 0.000 0.896 240 L HN 0.287 nan 8.230 nan 0.000 0.433 241 I N -0.131 120.502 120.570 0.106 0.000 2.113 241 I HA -0.290 3.880 4.170 -0.001 0.000 0.238 241 I C 2.838 178.971 176.117 0.027 0.000 1.070 241 I CA 1.330 62.720 61.300 0.150 0.000 1.332 241 I CB -0.512 37.668 38.000 0.300 0.000 1.044 241 I HN 0.192 nan 8.210 nan 0.000 0.402 242 A N -0.048 122.777 122.820 0.009 0.000 1.902 242 A HA -0.289 4.031 4.320 -0.001 0.000 0.217 242 A C 2.221 179.740 177.584 -0.108 0.000 1.181 242 A CA 1.906 53.946 52.037 0.005 0.000 0.623 242 A CB -0.641 18.405 19.000 0.077 0.000 0.818 242 A HN 0.421 nan 8.150 nan 0.000 0.443 243 Q N -0.453 119.165 119.800 -0.303 0.000 2.167 243 Q HA -0.082 4.257 4.340 -0.001 0.000 0.202 243 Q C 1.958 177.849 176.000 -0.181 0.000 0.970 243 Q CA 2.293 57.914 55.803 -0.304 0.000 0.855 243 Q CB -0.726 27.666 28.738 -0.578 0.000 0.911 243 Q HN 0.594 nan 8.270 nan 0.000 0.438 244 T N 0.235 114.685 114.554 -0.172 0.000 2.851 244 T HA 0.023 4.372 4.350 -0.001 0.000 0.262 244 T C 1.652 176.227 174.700 -0.208 0.000 1.043 244 T CA 0.991 62.996 62.100 -0.158 0.000 1.140 244 T CB -0.109 68.670 68.868 -0.148 0.000 0.872 244 T HN 0.207 nan 8.240 nan 0.000 0.446 245 L N 0.253 121.339 121.223 -0.228 0.000 2.056 245 L HA 0.214 4.553 4.340 -0.001 0.000 0.207 245 L C 1.539 177.994 176.870 -0.692 0.000 1.078 245 L CA 0.847 55.422 54.840 -0.442 0.000 0.749 245 L CB -0.692 41.203 42.059 -0.274 0.000 0.901 245 L HN 0.513 nan 8.230 nan 0.000 0.433 246 G N -2.249 106.371 108.800 -0.300 0.000 2.359 246 G HA2 -0.045 3.914 3.960 -0.001 0.000 0.303 246 G HA3 -0.045 3.914 3.960 -0.001 0.000 0.303 246 G C -2.593 172.381 174.900 0.125 0.000 1.293 246 G CA -0.510 44.513 45.100 -0.129 0.000 0.964 246 G HN -0.242 nan 8.290 nan 0.000 0.531 247 P HA -0.031 nan 4.420 nan 0.000 0.216 247 P C 1.570 178.996 177.300 0.211 0.000 1.150 247 P CA 1.612 64.820 63.100 0.180 0.000 0.843 247 P CB 0.043 31.833 31.700 0.149 0.000 0.787 248 K N -1.088 119.483 120.400 0.286 0.000 2.432 248 K HA 0.169 4.488 4.320 -0.001 0.000 0.196 248 K C 0.776 177.486 176.600 0.184 0.000 1.038 248 K CA 0.083 56.456 56.287 0.143 0.000 0.986 248 K CB -0.012 32.404 32.500 -0.141 0.000 0.782 248 K HN 0.085 nan 8.250 nan 0.000 0.485 249 A N 1.719 124.739 122.820 0.334 0.000 2.274 249 A HA 0.333 4.652 4.320 -0.001 0.000 0.309 249 A C -0.488 177.249 177.584 0.256 0.000 1.226 249 A CA -0.448 51.755 52.037 0.277 0.000 0.853 249 A CB 0.611 19.775 19.000 0.273 0.000 1.146 249 A HN 0.100 nan 8.150 nan 0.000 0.518 250 Q N 0.273 120.275 119.800 0.337 0.000 2.605 250 Q HA 0.530 4.870 4.340 -0.001 0.000 0.296 250 Q C -1.378 174.852 176.000 0.383 0.000 1.056 250 Q CA -0.825 55.204 55.803 0.377 0.000 0.778 250 Q CB 2.243 31.250 28.738 0.448 0.000 1.497 250 Q HN 0.786 nan 8.270 nan 0.000 0.443 251 C N 1.070 120.544 119.300 0.289 0.000 2.376 251 C HA 0.643 5.102 4.460 -0.001 0.000 0.335 251 C C -0.287 174.737 174.990 0.056 0.000 1.229 251 C CA -0.770 58.387 59.018 0.231 0.000 1.867 251 C CB -0.039 27.882 27.740 0.302 0.000 2.319 251 C HN 0.566 nan 8.230 nan 0.000 0.515 252 L N 2.451 123.648 121.223 -0.042 0.000 2.307 252 L HA 0.570 4.910 4.340 -0.001 0.000 0.284 252 L C -0.569 176.100 176.870 -0.335 0.000 1.023 252 L CA -0.371 54.278 54.840 -0.319 0.000 0.810 252 L CB 1.377 43.121 42.059 -0.525 0.000 1.231 252 L HN 0.444 nan 8.230 nan 0.000 0.423 253 V N 2.369 122.035 119.914 -0.414 0.000 2.328 253 V HA 0.207 4.326 4.120 -0.001 0.000 0.278 253 V C -0.236 175.272 176.094 -0.976 0.000 1.021 253 V CA -0.542 61.474 62.300 -0.474 0.000 0.838 253 V CB 1.444 33.118 31.823 -0.249 0.000 0.999 253 V HN 0.629 nan 8.190 nan 0.000 0.447 254 D N 4.003 123.889 120.400 -0.857 0.000 2.317 254 D HA 0.196 4.835 4.640 -0.001 0.000 0.234 254 D C 1.018 176.972 176.300 -0.576 0.000 1.112 254 D CA -0.377 53.080 54.000 -0.905 0.000 0.840 254 D CB 1.909 41.912 40.800 -1.329 0.000 1.078 254 D HN 0.445 nan 8.370 nan 0.000 0.486 255 L N 3.881 124.810 121.223 -0.489 0.000 2.010 255 L HA -0.188 4.152 4.340 -0.001 0.000 0.219 255 L C 1.929 178.887 176.870 0.145 0.000 1.077 255 L CA 2.299 57.129 54.840 -0.018 0.000 0.773 255 L CB -0.187 41.981 42.059 0.182 0.000 0.892 255 L HN 0.596 nan 8.230 nan 0.000 0.436 256 G N -2.988 105.842 108.800 0.051 0.000 3.026 256 G HA2 -0.089 3.871 3.960 -0.001 0.000 0.208 256 G HA3 -0.089 3.871 3.960 -0.001 0.000 0.208 256 G C 0.754 175.749 174.900 0.159 0.000 1.169 256 G CA -0.041 45.136 45.100 0.127 0.000 0.788 256 G HN 0.641 nan 8.290 nan 0.000 0.533 257 H N -0.144 118.801 119.070 -0.207 0.000 2.537 257 H HA 0.169 4.724 4.556 -0.001 0.000 0.295 257 H C -0.023 175.018 175.328 -0.479 0.000 1.054 257 H CA -0.397 55.413 56.048 -0.396 0.000 1.156 257 H CB 0.349 29.783 29.762 -0.545 0.000 1.468 257 H HN 0.368 nan 8.280 nan 0.000 0.551 258 H N -0.138 119.018 119.070 0.142 0.000 2.670 258 H HA 0.425 4.981 4.556 -0.001 0.000 0.361 258 H C 0.077 175.495 175.328 0.149 0.000 1.169 258 H CA -0.833 55.308 56.048 0.154 0.000 1.198 258 H CB 1.622 31.463 29.762 0.132 0.000 1.700 258 H HN 0.219 nan 8.280 nan 0.000 0.542 259 A N 2.337 125.310 122.820 0.255 0.000 2.448 259 A HA 0.197 4.517 4.320 -0.001 0.000 0.239 259 A C -2.138 175.547 177.584 0.168 0.000 1.080 259 A CA -0.946 51.207 52.037 0.193 0.000 0.779 259 A CB -0.704 18.380 19.000 0.140 0.000 1.026 259 A HN 0.408 nan 8.150 nan 0.000 0.499 260 P HA 0.077 nan 4.420 nan 0.000 0.265 260 P C 0.004 177.352 177.300 0.080 0.000 1.193 260 P CA 0.548 63.712 63.100 0.106 0.000 0.765 260 P CB 0.228 31.983 31.700 0.091 0.000 0.823 261 N N -1.235 117.503 118.700 0.064 0.000 2.936 261 N HA -0.138 4.601 4.740 -0.001 0.000 0.236 261 N C -0.387 175.145 175.510 0.036 0.000 0.930 261 N CA 1.183 54.259 53.050 0.043 0.000 0.966 261 N CB -2.384 36.125 38.487 0.037 0.000 1.090 261 N HN 0.388 nan 8.380 nan 0.000 0.592 262 T N 1.801 116.388 114.554 0.055 0.000 2.946 262 T HA -0.060 4.289 4.350 -0.001 0.000 0.312 262 T C 0.809 175.493 174.700 -0.028 0.000 1.066 262 T CA 0.023 62.144 62.100 0.035 0.000 1.138 262 T CB 0.487 69.404 68.868 0.082 0.000 1.014 262 T HN 0.168 nan 8.240 nan 0.000 0.544 263 N N 3.085 121.752 118.700 -0.055 0.000 2.555 263 N HA 0.114 4.853 4.740 -0.001 0.000 0.244 263 N C 0.999 176.407 175.510 -0.170 0.000 1.114 263 N CA -0.186 52.809 53.050 -0.093 0.000 0.963 263 N CB -0.014 38.424 38.487 -0.081 0.000 1.276 263 N HN 0.558 nan 8.380 nan 0.000 0.510 264 I N 1.897 122.349 120.570 -0.196 0.000 2.252 264 I HA -0.233 3.936 4.170 -0.001 0.000 0.245 264 I C 2.225 178.208 176.117 -0.222 0.000 1.102 264 I CA 0.746 61.870 61.300 -0.293 0.000 1.385 264 I CB -0.027 37.812 38.000 -0.268 0.000 1.064 264 I HN 0.524 nan 8.210 nan 0.000 0.414 265 E N 1.540 121.633 120.200 -0.179 0.000 2.209 265 E HA -0.310 4.039 4.350 -0.001 0.000 0.196 265 E C 2.093 178.571 176.600 -0.204 0.000 0.993 265 E CA 1.487 57.775 56.400 -0.188 0.000 0.819 265 E CB -0.698 28.883 29.700 -0.198 0.000 0.745 265 E HN 0.587 nan 8.360 nan 0.000 0.477 266 M N 0.795 120.266 119.600 -0.215 0.000 2.132 266 M HA -0.062 4.417 4.480 -0.001 0.000 0.263 266 M C 2.295 178.378 176.300 -0.363 0.000 1.065 266 M CA 1.256 56.416 55.300 -0.234 0.000 1.122 266 M CB -0.052 32.432 32.600 -0.193 0.000 1.365 266 M HN 0.013 nan 8.290 nan 0.000 0.411 267 I N -0.289 119.991 120.570 -0.484 0.000 2.208 267 I HA -0.287 3.882 4.170 -0.001 0.000 0.245 267 I C 2.248 178.067 176.117 -0.496 0.000 1.097 267 I CA 1.141 61.958 61.300 -0.804 0.000 1.363 267 I CB -0.510 37.020 38.000 -0.783 0.000 1.051 267 I HN 0.161 nan 8.210 nan 0.000 0.413 268 V N 1.098 120.858 119.914 -0.257 0.000 2.287 268 V HA -0.345 3.775 4.120 -0.001 0.000 0.248 268 V C 2.727 178.741 176.094 -0.134 0.000 1.053 268 V CA 2.161 64.396 62.300 -0.109 0.000 1.027 268 V CB -1.050 30.737 31.823 -0.060 0.000 0.646 268 V HN 0.526 nan 8.190 nan 0.000 0.447 269 A N -0.386 122.328 122.820 -0.177 0.000 1.902 269 A HA -0.198 4.122 4.320 -0.001 0.000 0.217 269 A C 2.364 179.876 177.584 -0.121 0.000 1.181 269 A CA 1.497 53.442 52.037 -0.154 0.000 0.623 269 A CB -0.444 18.467 19.000 -0.149 0.000 0.818 269 A HN 0.415 nan 8.150 nan 0.000 0.443 270 R N -0.423 119.969 120.500 -0.179 0.000 2.073 270 R HA -0.036 4.303 4.340 -0.001 0.000 0.234 270 R C 2.122 178.474 176.300 0.087 0.000 1.134 270 R CA 1.312 57.362 56.100 -0.082 0.000 0.952 270 R CB -0.998 29.076 30.300 -0.376 0.000 0.850 270 R HN 0.585 nan 8.270 nan 0.000 0.433 271 L N 0.392 121.614 121.223 -0.002 0.000 2.083 271 L HA -0.160 4.179 4.340 -0.001 0.000 0.209 271 L C 2.490 179.470 176.870 0.183 0.000 1.083 271 L CA 1.139 56.090 54.840 0.185 0.000 0.752 271 L CB -0.420 41.743 42.059 0.173 0.000 0.899 271 L HN 0.118 nan 8.230 nan 0.000 0.433 272 I N -0.624 119.974 120.570 0.047 0.000 2.179 272 I HA -0.336 3.833 4.170 -0.001 0.000 0.242 272 I C 2.726 178.808 176.117 -0.057 0.000 1.088 272 I CA 1.322 62.581 61.300 -0.067 0.000 1.357 272 I CB -0.318 37.514 38.000 -0.280 0.000 1.051 272 I HN 0.376 nan 8.210 nan 0.000 0.409 273 Q N 0.754 120.528 119.800 -0.044 0.000 2.152 273 Q HA -0.212 4.127 4.340 -0.001 0.000 0.206 273 Q C 1.419 177.255 176.000 -0.273 0.000 0.985 273 Q CA 1.856 57.567 55.803 -0.153 0.000 0.863 273 Q CB 0.004 28.668 28.738 -0.124 0.000 0.904 273 Q HN 0.473 nan 8.270 nan 0.000 0.422 274 F N -0.670 119.302 119.950 0.037 0.000 2.660 274 F HA 0.305 4.832 4.527 -0.000 0.000 0.297 274 F C 1.167 177.078 175.800 0.186 0.000 1.132 274 F CA 0.277 58.345 58.000 0.114 0.000 1.372 274 F CB 0.680 39.740 39.000 0.100 0.000 1.003 274 F HN 0.161 nan 8.300 nan 0.000 0.524 275 G N 1.023 109.951 108.800 0.213 0.000 2.341 275 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.292 275 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.292 275 G C 0.907 175.980 174.900 0.288 0.000 1.021 275 G CA 0.243 45.473 45.100 0.216 0.000 0.905 275 G HN 0.244 nan 8.290 nan 0.000 0.508 276 K N -0.916 119.687 120.400 0.339 0.000 2.564 276 K HA 0.272 4.591 4.320 -0.001 0.000 0.205 276 K C 0.369 177.155 176.600 0.310 0.000 1.053 276 K CA -0.549 55.946 56.287 0.348 0.000 1.072 276 K CB 0.697 33.464 32.500 0.444 0.000 0.822 276 K HN 0.386 nan 8.250 nan 0.000 0.497 277 L N 0.915 122.308 121.223 0.283 0.000 2.302 277 L HA 0.331 4.671 4.340 -0.001 0.000 0.285 277 L C 1.152 178.139 176.870 0.195 0.000 1.090 277 L CA 0.147 55.133 54.840 0.242 0.000 0.866 277 L CB 0.823 43.052 42.059 0.282 0.000 1.244 277 L HN 0.232 nan 8.230 nan 0.000 0.435 278 G N 2.951 111.801 108.800 0.082 0.000 2.421 278 G HA2 0.374 4.334 3.960 -0.001 0.000 0.217 278 G HA3 0.374 4.334 3.960 -0.001 0.000 0.217 278 G C 0.580 175.205 174.900 -0.458 0.000 1.143 278 G CA 0.680 45.716 45.100 -0.107 0.000 0.784 278 G HN 0.967 nan 8.290 nan 0.000 0.541 279 G N -2.025 106.559 108.800 -0.359 0.000 2.328 279 G HA2 0.409 4.368 3.960 -0.001 0.000 0.295 279 G HA3 0.409 4.368 3.960 -0.001 0.000 0.295 279 G C -2.103 172.757 174.900 -0.067 0.000 1.413 279 G CA -0.870 44.077 45.100 -0.256 0.000 0.817 279 G HN 0.238 nan 8.290 nan 0.000 0.546 280 F N 0.766 120.712 119.950 -0.006 0.000 2.507 280 F HA 0.646 5.173 4.527 -0.001 0.000 0.325 280 F C -0.028 175.617 175.800 -0.259 0.000 1.116 280 F CA -0.642 57.214 58.000 -0.240 0.000 0.930 280 F CB 1.844 40.563 39.000 -0.470 0.000 1.146 280 F HN 0.489 nan 8.300 nan 0.000 0.447 281 H N 6.239 124.872 119.070 -0.728 0.000 2.556 281 H HA 0.281 4.837 4.556 -0.001 0.000 0.310 281 H C -0.991 174.089 175.328 -0.413 0.000 1.057 281 H CA -0.725 55.071 56.048 -0.419 0.000 1.264 281 H CB 0.905 30.439 29.762 -0.380 0.000 1.404 281 H HN 0.403 nan 8.280 nan 0.000 0.462 282 F N 3.399 123.498 119.950 0.249 0.000 2.396 282 F HA 0.155 4.682 4.527 -0.001 0.000 0.343 282 F C 0.514 176.393 175.800 0.133 0.000 1.104 282 F CA -0.270 57.893 58.000 0.271 0.000 1.161 282 F CB 0.889 40.043 39.000 0.255 0.000 1.146 282 F HN 0.725 nan 8.300 nan 0.000 0.522 283 N N -0.502 118.395 118.700 0.328 0.000 3.717 283 N HA 0.293 5.032 4.740 -0.001 0.000 0.239 283 N C -2.225 173.401 175.510 0.193 0.000 1.388 283 N CA -0.992 52.175 53.050 0.195 0.000 0.828 283 N CB 0.897 39.440 38.487 0.093 0.000 1.468 283 N HN 0.328 nan 8.380 nan 0.000 0.445 284 D N -1.507 118.978 120.400 0.141 0.000 2.493 284 D HA 0.819 5.458 4.640 -0.001 0.000 0.239 284 D C -1.208 175.152 176.300 0.100 0.000 1.049 284 D CA -0.082 53.997 54.000 0.130 0.000 1.008 284 D CB 2.081 42.955 40.800 0.122 0.000 1.398 284 D HN 0.810 nan 8.370 nan 0.000 0.513 285 S N -0.368 115.382 115.700 0.083 0.000 2.587 285 S HA 0.406 4.876 4.470 -0.001 0.000 0.269 285 S C -0.068 174.532 174.600 -0.001 0.000 1.154 285 S CA -0.770 57.469 58.200 0.066 0.000 0.824 285 S CB 2.488 65.742 63.200 0.089 0.000 1.118 285 S HN 0.488 nan 8.310 nan 0.000 0.462 286 K N -0.746 119.605 120.400 -0.082 0.000 2.493 286 K HA 0.333 4.652 4.320 -0.001 0.000 0.201 286 K C 0.267 176.593 176.600 -0.457 0.000 1.355 286 K CA 0.013 56.093 56.287 -0.344 0.000 0.953 286 K CB 0.108 32.237 32.500 -0.618 0.000 1.316 286 K HN 0.663 nan 8.250 nan 0.000 0.522 287 Y N -0.593 119.765 120.300 0.096 0.000 2.472 287 Y HA 0.408 4.957 4.550 -0.001 0.000 0.288 287 Y C 1.425 177.415 175.900 0.149 0.000 1.154 287 Y CA 0.384 58.550 58.100 0.109 0.000 1.238 287 Y CB 0.594 39.114 38.460 0.101 0.000 1.287 287 Y HN 0.153 nan 8.280 nan 0.000 0.524 288 G N -0.981 108.002 108.800 0.306 0.000 3.100 288 G HA2 0.141 4.101 3.960 -0.001 0.000 0.174 288 G HA3 0.141 4.101 3.960 -0.001 0.000 0.174 288 G C -1.391 173.584 174.900 0.125 0.000 1.136 288 G CA -0.351 44.905 45.100 0.260 0.000 0.881 288 G HN -0.077 nan 8.290 nan 0.000 0.616 289 D N 0.885 121.287 120.400 0.004 0.000 2.619 289 D HA 0.258 4.898 4.640 -0.001 0.000 0.224 289 D C 0.445 176.764 176.300 0.032 0.000 1.133 289 D CA -0.299 53.688 54.000 -0.022 0.000 1.017 289 D CB 0.066 40.744 40.800 -0.204 0.000 1.077 289 D HN 0.156 nan 8.370 nan 0.000 0.503 290 D N 1.204 121.656 120.400 0.087 0.000 2.269 290 D HA -0.109 4.530 4.640 -0.001 0.000 0.208 290 D C 0.242 176.581 176.300 0.065 0.000 0.963 290 D CA 0.371 54.432 54.000 0.103 0.000 0.864 290 D CB -0.003 40.885 40.800 0.147 0.000 0.936 290 D HN 0.416 nan 8.370 nan 0.000 0.505 291 D N 0.004 120.432 120.400 0.046 0.000 2.751 291 D HA -0.181 4.458 4.640 -0.001 0.000 0.233 291 D C 0.019 176.319 176.300 -0.000 0.000 1.149 291 D CA 0.382 54.391 54.000 0.015 0.000 0.682 291 D CB -1.388 39.406 40.800 -0.010 0.000 1.068 291 D HN 0.328 nan 8.370 nan 0.000 0.429 292 L N 0.018 121.269 121.223 0.046 0.000 2.454 292 L HA 0.229 4.568 4.340 -0.001 0.000 0.256 292 L C 0.941 177.859 176.870 0.081 0.000 1.136 292 L CA -0.703 54.172 54.840 0.060 0.000 0.804 292 L CB 0.422 42.532 42.059 0.086 0.000 1.181 292 L HN -0.198 nan 8.230 nan 0.000 0.469 293 D N 1.428 121.893 120.400 0.109 0.000 2.531 293 D HA 0.168 4.807 4.640 -0.001 0.000 0.239 293 D C 0.156 176.531 176.300 0.126 0.000 1.144 293 D CA 0.313 54.393 54.000 0.134 0.000 0.869 293 D CB 0.601 41.477 40.800 0.126 0.000 1.160 293 D HN 0.576 nan 8.370 nan 0.000 0.484 294 A N 2.309 125.216 122.820 0.145 0.000 2.567 294 A HA 0.433 4.752 4.320 -0.001 0.000 0.240 294 A C 1.672 179.335 177.584 0.130 0.000 1.053 294 A CA 0.480 52.618 52.037 0.169 0.000 0.755 294 A CB -0.268 18.851 19.000 0.199 0.000 0.978 294 A HN 0.973 nan 8.150 nan 0.000 0.507 295 G N 1.051 109.937 108.800 0.143 0.000 2.205 295 G HA2 -0.076 3.884 3.960 -0.001 0.000 0.261 295 G HA3 -0.076 3.884 3.960 -0.001 0.000 0.261 295 G C 1.201 176.163 174.900 0.104 0.000 0.980 295 G CA 1.105 46.280 45.100 0.126 0.000 0.632 295 G HN 2.033 nan 8.290 nan 0.000 0.533 296 A N -0.361 122.516 122.820 0.094 0.000 2.066 296 A HA 0.411 4.731 4.320 -0.001 0.000 0.218 296 A C 2.191 179.819 177.584 0.073 0.000 1.157 296 A CA 1.960 54.044 52.037 0.078 0.000 0.670 296 A CB -0.178 18.869 19.000 0.079 0.000 0.804 296 A HN 0.550 nan 8.150 nan 0.000 0.453 297 I N -1.654 118.963 120.570 0.077 0.000 3.366 297 I HA 0.145 4.315 4.170 -0.001 0.000 0.267 297 I C 0.323 176.480 176.117 0.066 0.000 1.149 297 I CA 0.696 62.031 61.300 0.058 0.000 1.436 297 I CB -0.791 37.233 38.000 0.040 0.000 1.379 297 I HN 0.216 nan 8.210 nan 0.000 0.460 298 E N 2.542 122.795 120.200 0.088 0.000 3.037 298 E HA 0.194 4.543 4.350 -0.001 0.000 0.220 298 E C -1.789 174.898 176.600 0.145 0.000 1.142 298 E CA -1.442 55.020 56.400 0.103 0.000 0.888 298 E CB 1.723 31.472 29.700 0.082 0.000 1.329 298 E HN 0.142 nan 8.360 nan 0.000 0.409 299 P HA -0.204 nan 4.420 nan 0.000 0.220 299 P C 1.186 178.678 177.300 0.319 0.000 1.148 299 P CA 0.927 64.181 63.100 0.256 0.000 0.803 299 P CB 0.246 32.110 31.700 0.273 0.000 0.782 300 Y N 1.961 122.264 120.300 0.005 0.000 2.200 300 Y HA -0.103 4.446 4.550 -0.001 0.000 0.290 300 Y C 2.886 178.760 175.900 -0.044 0.000 1.137 300 Y CA 1.249 59.153 58.100 -0.326 0.000 1.163 300 Y CB -0.825 37.337 38.460 -0.496 0.000 0.988 300 Y HN -0.219 nan 8.280 nan 0.000 0.518 301 R N -0.231 120.274 120.500 0.009 0.000 2.091 301 R HA -0.191 4.148 4.340 -0.001 0.000 0.238 301 R C 2.183 178.469 176.300 -0.023 0.000 1.136 301 R CA 1.745 57.811 56.100 -0.057 0.000 0.959 301 R CB -0.692 29.616 30.300 0.015 0.000 0.856 301 R HN 0.424 nan 8.270 nan 0.000 0.437 302 L N 0.552 121.833 121.223 0.097 0.000 2.046 302 L HA -0.131 4.208 4.340 -0.001 0.000 0.208 302 L C 2.021 179.015 176.870 0.206 0.000 1.077 302 L CA 1.718 56.656 54.840 0.163 0.000 0.747 302 L CB -0.750 41.453 42.059 0.239 0.000 0.896 302 L HN 0.296 nan 8.230 nan 0.000 0.432 303 F N -0.552 119.428 119.950 0.049 0.000 2.171 303 F HA -0.174 4.352 4.527 -0.001 0.000 0.300 303 F C 1.940 177.689 175.800 -0.085 0.000 1.090 303 F CA 1.583 59.612 58.000 0.048 0.000 1.293 303 F CB -0.251 38.800 39.000 0.084 0.000 1.013 303 F HN 0.053 nan 8.300 nan 0.000 0.486 304 L N -0.616 120.404 121.223 -0.339 0.000 2.201 304 L HA -0.154 4.185 4.340 -0.001 0.000 0.212 304 L C 2.329 178.976 176.870 -0.372 0.000 1.105 304 L CA 0.559 55.116 54.840 -0.471 0.000 0.775 304 L CB -0.672 41.139 42.059 -0.413 0.000 0.913 304 L HN 0.067 nan 8.230 nan 0.000 0.440 305 V N -0.689 119.039 119.914 -0.310 0.000 2.358 305 V HA -0.252 3.867 4.120 -0.001 0.000 0.246 305 V C 2.213 178.047 176.094 -0.433 0.000 1.047 305 V CA 1.746 63.806 62.300 -0.399 0.000 1.035 305 V CB -0.487 30.978 31.823 -0.596 0.000 0.658 305 V HN 0.215 nan 8.190 nan 0.000 0.452 306 F N 0.937 120.698 119.950 -0.314 0.000 2.234 306 F HA -0.141 4.386 4.527 -0.001 0.000 0.299 306 F C 2.309 177.931 175.800 -0.297 0.000 1.087 306 F CA 1.803 59.653 58.000 -0.250 0.000 1.340 306 F CB -0.636 38.230 39.000 -0.224 0.000 1.031 306 F HN 0.244 nan 8.300 nan 0.000 0.500 307 N N 0.352 118.841 118.700 -0.351 0.000 2.149 307 N HA -0.195 4.544 4.740 -0.001 0.000 0.188 307 N C 1.704 177.089 175.510 -0.208 0.000 1.019 307 N CA 1.579 54.399 53.050 -0.383 0.000 0.857 307 N CB -0.118 38.028 38.487 -0.568 0.000 0.997 307 N HN 0.101 nan 8.380 nan 0.000 0.426 308 E N 0.097 120.172 120.200 -0.209 0.000 2.152 308 E HA -0.059 4.291 4.350 -0.001 0.000 0.192 308 E C 2.103 178.646 176.600 -0.096 0.000 0.983 308 E CA 0.473 56.778 56.400 -0.158 0.000 0.818 308 E CB -0.217 29.375 29.700 -0.178 0.000 0.758 308 E HN 0.490 nan 8.360 nan 0.000 0.467 309 L N 0.229 121.424 121.223 -0.047 0.000 2.056 309 L HA -0.118 4.221 4.340 -0.001 0.000 0.207 309 L C 2.461 179.454 176.870 0.206 0.000 1.078 309 L CA 0.673 55.599 54.840 0.144 0.000 0.749 309 L CB -0.388 41.764 42.059 0.154 0.000 0.901 309 L HN -0.033 nan 8.230 nan 0.000 0.433 310 V N -0.246 119.750 119.914 0.137 0.000 2.548 310 V HA -0.256 3.864 4.120 -0.001 0.000 0.249 310 V C 2.084 178.203 176.094 0.041 0.000 1.055 310 V CA 1.886 64.256 62.300 0.118 0.000 1.065 310 V CB -0.388 31.460 31.823 0.042 0.000 0.681 310 V HN 0.449 nan 8.190 nan 0.000 0.462 311 D N 0.499 120.888 120.400 -0.018 0.000 2.178 311 D HA -0.120 4.520 4.640 -0.001 0.000 0.202 311 D C 2.134 178.400 176.300 -0.056 0.000 0.974 311 D CA 1.315 55.287 54.000 -0.045 0.000 0.841 311 D CB -0.067 40.688 40.800 -0.075 0.000 0.953 311 D HN 0.353 nan 8.370 nan 0.000 0.478 312 A N 0.465 123.233 122.820 -0.086 0.000 1.908 312 A HA -0.247 4.073 4.320 -0.001 0.000 0.218 312 A C 2.172 179.718 177.584 -0.063 0.000 1.181 312 A CA 1.930 53.860 52.037 -0.179 0.000 0.627 312 A CB -0.805 17.915 19.000 -0.468 0.000 0.818 312 A HN 0.445 nan 8.150 nan 0.000 0.445 313 E N -0.262 119.970 120.200 0.052 0.000 2.072 313 E HA -0.084 4.265 4.350 -0.001 0.000 0.191 313 E C 2.146 178.768 176.600 0.036 0.000 0.985 313 E CA 0.963 57.417 56.400 0.090 0.000 0.801 313 E CB -0.275 29.510 29.700 0.142 0.000 0.750 313 E HN 0.519 nan 8.360 nan 0.000 0.452 314 A N 1.412 124.243 122.820 0.017 0.000 1.933 314 A HA -0.158 4.161 4.320 -0.001 0.000 0.218 314 A C 2.118 179.694 177.584 -0.014 0.000 1.175 314 A CA 1.366 53.403 52.037 -0.000 0.000 0.628 314 A CB -0.442 18.551 19.000 -0.011 0.000 0.814 314 A HN 0.192 nan 8.150 nan 0.000 0.444 315 R N -1.358 119.124 120.500 -0.030 0.000 2.307 315 R HA 0.137 4.476 4.340 -0.001 0.000 0.199 315 R C 1.159 177.440 176.300 -0.032 0.000 1.000 315 R CA 0.537 56.613 56.100 -0.040 0.000 1.023 315 R CB -0.212 30.049 30.300 -0.066 0.000 0.908 315 R HN 0.734 nan 8.270 nan 0.000 0.473 316 G N 1.323 110.113 108.800 -0.016 0.000 2.160 316 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.244 316 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.244 316 G C 0.166 175.063 174.900 -0.005 0.000 1.022 316 G CA -0.031 45.068 45.100 -0.001 0.000 0.741 316 G HN 0.130 nan 8.290 nan 0.000 0.508 317 V N 1.089 120.985 119.914 -0.030 0.000 2.617 317 V HA 0.175 4.294 4.120 -0.001 0.000 0.304 317 V C 0.972 177.089 176.094 0.038 0.000 1.040 317 V CA 0.138 62.413 62.300 -0.042 0.000 1.149 317 V CB 0.908 32.631 31.823 -0.166 0.000 0.914 317 V HN 0.301 nan 8.190 nan 0.000 0.487 318 K N 3.117 123.549 120.400 0.053 0.000 2.144 318 K HA 0.398 4.717 4.320 -0.001 0.000 0.270 318 K C 1.158 177.854 176.600 0.160 0.000 1.005 318 K CA 0.400 56.744 56.287 0.096 0.000 0.932 318 K CB 1.062 33.608 32.500 0.077 0.000 1.021 318 K HN 1.070 nan 8.250 nan 0.000 0.462 319 G N 2.124 111.048 108.800 0.207 0.000 2.321 319 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.287 319 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.287 319 G C -0.265 174.863 174.900 0.380 0.000 1.018 319 G CA 0.214 45.514 45.100 0.332 0.000 0.855 319 G HN 0.482 nan 8.290 nan 0.000 0.507 320 F N 1.822 121.758 119.950 -0.023 0.000 2.377 320 F HA 0.594 5.120 4.527 -0.001 0.000 0.360 320 F C 0.308 175.944 175.800 -0.273 0.000 1.147 320 F CA -1.918 56.045 58.000 -0.060 0.000 1.170 320 F CB 0.195 39.161 39.000 -0.056 0.000 1.339 320 F HN 0.201 nan 8.300 nan 0.000 0.552 321 H N 5.438 124.355 119.070 -0.254 0.000 2.336 321 H HA 0.290 4.846 4.556 -0.001 0.000 0.230 321 H C -2.249 172.849 175.328 -0.383 0.000 1.426 321 H CA -1.761 54.091 56.048 -0.327 0.000 1.359 321 H CB -0.233 29.452 29.762 -0.128 0.000 1.555 321 H HN 0.405 nan 8.280 nan 0.000 0.512 322 P HA 0.139 nan 4.420 nan 0.000 0.267 322 P C -0.310 176.659 177.300 -0.551 0.000 1.200 322 P CA -0.292 62.500 63.100 -0.512 0.000 0.772 322 P CB 1.131 32.462 31.700 -0.615 0.000 0.855 323 A N 3.482 126.071 122.820 -0.385 0.000 2.366 323 A HA 0.325 4.645 4.320 -0.001 0.000 0.322 323 A C 0.038 177.507 177.584 -0.192 0.000 1.397 323 A CA -0.563 51.331 52.037 -0.238 0.000 0.984 323 A CB -0.366 18.620 19.000 -0.022 0.000 1.149 323 A HN 0.547 nan 8.150 nan 0.000 0.540 324 H N 2.175 121.281 119.070 0.060 0.000 2.502 324 H HA 0.538 5.093 4.556 -0.001 0.000 0.327 324 H C -0.185 175.255 175.328 0.187 0.000 1.099 324 H CA -0.075 56.100 56.048 0.212 0.000 1.323 324 H CB 1.423 31.418 29.762 0.388 0.000 1.450 324 H HN 0.752 nan 8.280 nan 0.000 0.502 325 M N 3.035 122.844 119.600 0.348 0.000 2.531 325 M HA 0.404 4.883 4.480 -0.001 0.000 0.286 325 M C -1.463 174.902 176.300 0.107 0.000 1.232 325 M CA -0.758 54.602 55.300 0.100 0.000 0.877 325 M CB 2.366 34.865 32.600 -0.168 0.000 1.726 325 M HN 0.433 nan 8.290 nan 0.000 0.463 326 I N 2.448 123.042 120.570 0.041 0.000 2.353 326 I HA 0.273 4.442 4.170 -0.001 0.000 0.293 326 I C -0.737 175.314 176.117 -0.110 0.000 0.992 326 I CA -0.163 61.180 61.300 0.071 0.000 1.268 326 I CB 1.188 39.229 38.000 0.068 0.000 1.387 326 I HN 0.526 nan 8.210 nan 0.000 0.478 327 D N 6.869 127.235 120.400 -0.056 0.000 2.375 327 D HA 0.342 4.981 4.640 -0.001 0.000 0.259 327 D C -0.917 175.386 176.300 0.005 0.000 1.235 327 D CA -0.231 53.748 54.000 -0.035 0.000 0.924 327 D CB 0.854 41.662 40.800 0.012 0.000 1.143 327 D HN 0.497 nan 8.370 nan 0.000 0.529 328 Q N 0.439 120.210 119.800 -0.049 0.000 2.484 328 Q HA 0.587 4.926 4.340 -0.001 0.000 0.285 328 Q C -1.140 174.678 176.000 -0.304 0.000 1.097 328 Q CA -1.070 54.642 55.803 -0.151 0.000 0.802 328 Q CB 2.477 31.116 28.738 -0.163 0.000 1.444 328 Q HN 0.210 nan 8.270 nan 0.000 0.429 329 S N 0.011 115.485 115.700 -0.377 0.000 2.561 329 S HA 0.453 4.922 4.470 -0.001 0.000 0.303 329 S C -1.752 172.581 174.600 -0.445 0.000 1.110 329 S CA -0.573 57.450 58.200 -0.295 0.000 1.034 329 S CB 0.333 63.499 63.200 -0.057 0.000 1.010 329 S HN 0.578 nan 8.310 nan 0.000 0.482 330 H N 3.989 123.100 119.070 0.070 0.000 2.690 330 H HA 0.423 4.978 4.556 -0.001 0.000 0.280 330 H C 0.486 175.864 175.328 0.084 0.000 1.138 330 H CA -0.801 55.287 56.048 0.065 0.000 1.241 330 H CB 0.612 30.399 29.762 0.042 0.000 1.394 330 H HN 0.483 nan 8.280 nan 0.000 0.489 331 N N 1.840 120.631 118.700 0.152 0.000 2.405 331 N HA -0.043 4.696 4.740 -0.001 0.000 0.175 331 N C 0.885 176.503 175.510 0.180 0.000 1.051 331 N CA 0.640 53.791 53.050 0.168 0.000 0.899 331 N CB 0.945 39.531 38.487 0.165 0.000 1.000 331 N HN 0.486 nan 8.380 nan 0.000 0.451 332 V N -2.430 117.572 119.914 0.147 0.000 3.111 332 V HA 0.441 4.560 4.120 -0.001 0.000 0.343 332 V C -0.002 176.147 176.094 0.092 0.000 1.417 332 V CA -0.332 62.032 62.300 0.107 0.000 1.142 332 V CB -0.189 31.678 31.823 0.074 0.000 1.114 332 V HN 0.141 nan 8.190 nan 0.000 0.520 333 T N -3.857 110.763 114.554 0.111 0.000 2.787 333 T HA 0.463 4.813 4.350 -0.001 0.000 0.297 333 T C -1.236 173.508 174.700 0.073 0.000 1.221 333 T CA -0.342 61.808 62.100 0.083 0.000 1.006 333 T CB 2.133 71.046 68.868 0.075 0.000 1.328 333 T HN 0.163 nan 8.240 nan 0.000 0.509 334 D N 1.244 121.671 120.400 0.045 0.000 2.371 334 D HA 0.227 4.867 4.640 -0.001 0.000 0.256 334 D C -1.530 174.726 176.300 -0.073 0.000 1.193 334 D CA -1.824 52.197 54.000 0.035 0.000 0.881 334 D CB 1.442 42.289 40.800 0.079 0.000 1.143 334 D HN 0.118 nan 8.370 nan 0.000 0.473 335 P HA -0.124 nan 4.420 nan 0.000 0.216 335 P C 1.666 178.729 177.300 -0.396 0.000 1.153 335 P CA 0.977 63.906 63.100 -0.285 0.000 0.858 335 P CB 0.265 31.918 31.700 -0.080 0.000 0.789 336 I N -0.441 119.968 120.570 -0.268 0.000 2.179 336 I HA -0.248 3.921 4.170 -0.001 0.000 0.242 336 I C 2.241 178.076 176.117 -0.471 0.000 1.088 336 I CA 1.606 62.685 61.300 -0.369 0.000 1.357 336 I CB -0.668 37.077 38.000 -0.426 0.000 1.051 336 I HN 0.040 nan 8.210 nan 0.000 0.409 337 E N 0.329 120.251 120.200 -0.464 0.000 2.072 337 E HA -0.162 4.187 4.350 -0.001 0.000 0.191 337 E C 2.350 178.815 176.600 -0.225 0.000 0.985 337 E CA 1.373 57.564 56.400 -0.348 0.000 0.801 337 E CB -0.124 29.460 29.700 -0.193 0.000 0.750 337 E HN 0.331 nan 8.360 nan 0.000 0.452 338 S N 1.010 116.569 115.700 -0.235 0.000 2.368 338 S HA -0.086 4.383 4.470 -0.001 0.000 0.225 338 S C 2.025 176.526 174.600 -0.166 0.000 1.030 338 S CA 0.749 58.850 58.200 -0.165 0.000 0.999 338 S CB -0.132 62.986 63.200 -0.137 0.000 0.844 338 S HN 0.168 nan 8.310 nan 0.000 0.459 339 L N 0.781 121.821 121.223 -0.304 0.000 2.141 339 L HA -0.069 4.270 4.340 -0.001 0.000 0.209 339 L C 2.121 178.921 176.870 -0.117 0.000 1.094 339 L CA 0.921 55.661 54.840 -0.168 0.000 0.763 339 L CB -0.447 41.486 42.059 -0.209 0.000 0.908 339 L HN 0.319 nan 8.230 nan 0.000 0.437 340 I N -0.066 120.408 120.570 -0.160 0.000 2.142 340 I HA -0.295 3.875 4.170 -0.001 0.000 0.240 340 I C 2.031 178.103 176.117 -0.075 0.000 1.078 340 I CA 1.270 62.495 61.300 -0.125 0.000 1.343 340 I CB -0.279 37.620 38.000 -0.169 0.000 1.046 340 I HN 0.324 nan 8.210 nan 0.000 0.405 341 N N 0.241 118.900 118.700 -0.068 0.000 2.396 341 N HA -0.087 4.653 4.740 -0.001 0.000 0.180 341 N C 1.913 177.416 175.510 -0.013 0.000 1.028 341 N CA 0.887 53.917 53.050 -0.034 0.000 0.893 341 N CB -0.097 38.376 38.487 -0.024 0.000 0.967 341 N HN 0.168 nan 8.380 nan 0.000 0.440 342 S N 0.221 115.919 115.700 -0.002 0.000 2.387 342 S HA 0.056 4.526 4.470 -0.001 0.000 0.226 342 S C 2.002 176.603 174.600 0.002 0.000 1.026 342 S CA 0.828 59.046 58.200 0.029 0.000 0.972 342 S CB -0.117 63.128 63.200 0.076 0.000 0.814 342 S HN 0.468 nan 8.310 nan 0.000 0.477 343 A N 2.174 124.988 122.820 -0.010 0.000 1.969 343 A HA -0.101 4.218 4.320 -0.001 0.000 0.218 343 A C 1.823 179.390 177.584 -0.029 0.000 1.169 343 A CA 1.372 53.402 52.037 -0.011 0.000 0.635 343 A CB -0.714 18.284 19.000 -0.003 0.000 0.810 343 A HN 0.598 nan 8.150 nan 0.000 0.445 344 N N -0.503 118.178 118.700 -0.032 0.000 2.106 344 N HA -0.145 4.595 4.740 -0.001 0.000 0.188 344 N C 1.588 177.058 175.510 -0.068 0.000 1.029 344 N CA 1.121 54.146 53.050 -0.042 0.000 0.848 344 N CB -0.133 38.334 38.487 -0.033 0.000 1.007 344 N HN 0.347 nan 8.380 nan 0.000 0.423 345 E N 1.138 121.307 120.200 -0.053 0.000 2.118 345 E HA -0.134 4.215 4.350 -0.001 0.000 0.195 345 E C 2.040 178.567 176.600 -0.120 0.000 0.992 345 E CA 0.717 57.085 56.400 -0.053 0.000 0.804 345 E CB -0.190 29.512 29.700 0.003 0.000 0.741 345 E HN 0.480 nan 8.360 nan 0.000 0.458 346 I N 0.402 120.871 120.570 -0.167 0.000 2.252 346 I HA -0.245 3.924 4.170 -0.001 0.000 0.245 346 I C 2.597 178.378 176.117 -0.560 0.000 1.102 346 I CA 0.990 62.088 61.300 -0.336 0.000 1.385 346 I CB -0.184 37.599 38.000 -0.362 0.000 1.064 346 I HN -0.015 nan 8.210 nan 0.000 0.414 347 R N 0.151 120.442 120.500 -0.348 0.000 2.115 347 R HA -0.127 4.213 4.340 -0.001 0.000 0.230 347 R C 2.429 178.535 176.300 -0.323 0.000 1.111 347 R CA 0.887 56.774 56.100 -0.355 0.000 0.976 347 R CB -0.247 29.984 30.300 -0.115 0.000 0.870 347 R HN 0.314 nan 8.270 nan 0.000 0.445 348 R N 0.584 120.939 120.500 -0.242 0.000 2.070 348 R HA -0.130 4.210 4.340 -0.001 0.000 0.233 348 R C 2.104 178.278 176.300 -0.209 0.000 1.137 348 R CA 1.726 57.717 56.100 -0.181 0.000 0.945 348 R CB -0.260 29.971 30.300 -0.115 0.000 0.845 348 R HN 0.190 nan 8.270 nan 0.000 0.430 349 A N -0.109 122.563 122.820 -0.248 0.000 1.972 349 A HA -0.211 4.109 4.320 -0.001 0.000 0.219 349 A C 1.983 179.298 177.584 -0.449 0.000 1.169 349 A CA 1.291 53.239 52.037 -0.148 0.000 0.635 349 A CB -0.775 18.220 19.000 -0.008 0.000 0.810 349 A HN 0.645 nan 8.150 nan 0.000 0.446 350 Y N 0.671 120.249 120.300 -1.202 0.000 2.163 350 Y HA -0.040 4.509 4.550 -0.001 0.000 0.288 350 Y C 2.603 178.194 175.900 -0.516 0.000 1.136 350 Y CA 1.133 58.492 58.100 -1.234 0.000 1.147 350 Y CB -0.717 36.731 38.460 -1.687 0.000 0.987 350 Y HN 0.287 nan 8.280 nan 0.000 0.509 351 A N 0.284 122.797 122.820 -0.511 0.000 1.908 351 A HA -0.271 4.049 4.320 -0.001 0.000 0.218 351 A C 2.134 179.564 177.584 -0.256 0.000 1.181 351 A CA 2.069 53.868 52.037 -0.396 0.000 0.627 351 A CB -0.822 18.047 19.000 -0.217 0.000 0.818 351 A HN 0.681 nan 8.150 nan 0.000 0.445 352 Q N -0.818 118.910 119.800 -0.119 0.000 2.084 352 Q HA -0.069 4.270 4.340 -0.001 0.000 0.202 352 Q C 2.409 178.556 176.000 0.245 0.000 0.978 352 Q CA 1.397 57.246 55.803 0.078 0.000 0.844 352 Q CB -0.389 28.451 28.738 0.170 0.000 0.898 352 Q HN 0.691 nan 8.270 nan 0.000 0.426 353 A N 0.370 123.266 122.820 0.127 0.000 1.972 353 A HA -0.170 4.150 4.320 -0.001 0.000 0.219 353 A C 1.890 179.415 177.584 -0.099 0.000 1.169 353 A CA 1.079 53.088 52.037 -0.047 0.000 0.635 353 A CB -0.405 18.484 19.000 -0.185 0.000 0.810 353 A HN 0.252 nan 8.150 nan 0.000 0.446 354 L N -0.488 120.594 121.223 -0.236 0.000 2.201 354 L HA -0.053 4.286 4.340 -0.001 0.000 0.212 354 L C 2.237 179.038 176.870 -0.115 0.000 1.105 354 L CA 1.242 55.939 54.840 -0.239 0.000 0.775 354 L CB -0.640 41.181 42.059 -0.397 0.000 0.913 354 L HN 0.381 nan 8.230 nan 0.000 0.440 355 L N -1.613 119.571 121.223 -0.065 0.000 2.313 355 L HA -0.004 4.336 4.340 -0.001 0.000 0.214 355 L C 0.662 177.543 176.870 0.019 0.000 1.119 355 L CA -0.337 54.486 54.840 -0.027 0.000 0.809 355 L CB -0.239 41.804 42.059 -0.027 0.000 0.933 355 L HN -0.122 nan 8.230 nan 0.000 0.449 356 V N 1.381 121.333 119.914 0.063 0.000 2.584 356 V HA -0.159 3.960 4.120 -0.001 0.000 0.303 356 V C 0.574 176.693 176.094 0.042 0.000 1.035 356 V CA 0.291 62.644 62.300 0.088 0.000 1.172 356 V CB 0.285 32.171 31.823 0.104 0.000 0.896 356 V HN 0.177 nan 8.190 nan 0.000 0.486 357 D N 5.570 126.001 120.400 0.050 0.000 2.455 357 D HA 0.068 4.707 4.640 -0.001 0.000 0.234 357 D C 1.442 177.756 176.300 0.024 0.000 1.224 357 D CA -0.238 53.779 54.000 0.029 0.000 0.999 357 D CB 0.374 41.196 40.800 0.037 0.000 1.072 357 D HN 0.389 nan 8.370 nan 0.000 0.514 358 R N 2.504 123.008 120.500 0.007 0.000 2.105 358 R HA -0.160 4.180 4.340 -0.001 0.000 0.239 358 R C 1.844 178.131 176.300 -0.021 0.000 1.135 358 R CA 1.214 57.312 56.100 -0.003 0.000 0.967 358 R CB -0.768 29.525 30.300 -0.012 0.000 0.861 358 R HN 0.444 nan 8.270 nan 0.000 0.442 359 A N 1.566 124.367 122.820 -0.032 0.000 1.865 359 A HA -0.113 4.206 4.320 -0.001 0.000 0.217 359 A C 2.484 180.007 177.584 -0.102 0.000 1.191 359 A CA 2.075 54.077 52.037 -0.057 0.000 0.623 359 A CB -0.743 18.225 19.000 -0.053 0.000 0.826 359 A HN 0.368 nan 8.150 nan 0.000 0.444 360 A N -0.777 121.981 122.820 -0.103 0.000 1.902 360 A HA -0.036 4.283 4.320 -0.001 0.000 0.217 360 A C 2.144 179.599 177.584 -0.214 0.000 1.181 360 A CA 1.778 53.681 52.037 -0.222 0.000 0.623 360 A CB -0.661 18.295 19.000 -0.073 0.000 0.818 360 A HN 0.688 nan 8.150 nan 0.000 0.443 361 L N 1.017 122.239 121.223 -0.002 0.000 2.012 361 L HA -0.188 4.152 4.340 -0.001 0.000 0.210 361 L C 2.811 179.696 176.870 0.025 0.000 1.073 361 L CA 2.931 57.824 54.840 0.088 0.000 0.748 361 L CB -0.774 41.330 42.059 0.076 0.000 0.891 361 L HN 0.533 nan 8.230 nan 0.000 0.431 362 S N -1.215 114.466 115.700 -0.032 0.000 2.382 362 S HA -0.105 4.364 4.470 -0.001 0.000 0.228 362 S C 2.117 176.679 174.600 -0.063 0.000 1.027 362 S CA 0.876 59.054 58.200 -0.037 0.000 0.991 362 S CB -1.623 61.550 63.200 -0.044 0.000 0.823 362 S HN 0.503 nan 8.310 nan 0.000 0.469 363 G N 0.138 108.846 108.800 -0.153 0.000 2.408 363 G HA2 -0.096 3.864 3.960 -0.001 0.000 0.217 363 G HA3 -0.096 3.864 3.960 -0.001 0.000 0.217 363 G C 1.168 175.984 174.900 -0.140 0.000 1.150 363 G CA 0.765 45.742 45.100 -0.204 0.000 0.776 363 G HN 0.580 nan 8.290 nan 0.000 0.542 364 Y N 0.774 121.074 120.300 -0.001 0.000 2.314 364 Y HA 0.026 4.575 4.550 -0.001 0.000 0.293 364 Y C 3.044 178.944 175.900 -0.000 0.000 1.129 364 Y CA 0.855 58.956 58.100 0.001 0.000 1.201 364 Y CB -0.388 38.075 38.460 0.005 0.000 0.999 364 Y HN 0.279 nan 8.280 nan 0.000 0.541 365 Q N -0.398 119.482 119.800 0.133 0.000 2.083 365 Q HA -0.190 4.150 4.340 -0.001 0.000 0.198 365 Q C 2.031 178.059 176.000 0.047 0.000 0.969 365 Q CA 1.399 57.247 55.803 0.074 0.000 0.838 365 Q CB -0.073 28.690 28.738 0.043 0.000 0.900 365 Q HN 0.274 nan 8.270 nan 0.000 0.436 366 E N 1.246 121.463 120.200 0.028 0.000 2.110 366 E HA -0.168 4.181 4.350 -0.001 0.000 0.193 366 E C 0.855 177.470 176.600 0.025 0.000 0.988 366 E CA 1.229 57.637 56.400 0.013 0.000 0.804 366 E CB 0.042 29.738 29.700 -0.007 0.000 0.745 366 E HN 0.239 nan 8.360 nan 0.000 0.458 367 D N -0.307 120.121 120.400 0.046 0.000 2.340 367 D HA 0.022 4.661 4.640 -0.001 0.000 0.220 367 D C -0.353 175.983 176.300 0.059 0.000 1.039 367 D CA 0.225 54.257 54.000 0.054 0.000 0.866 367 D CB -0.267 40.578 40.800 0.076 0.000 0.913 367 D HN 0.227 nan 8.370 nan 0.000 0.523 368 N N 1.315 120.051 118.700 0.060 0.000 2.735 368 N HA -0.180 4.559 4.740 -0.001 0.000 0.248 368 N C -0.702 174.836 175.510 0.046 0.000 1.083 368 N CA 0.444 53.521 53.050 0.046 0.000 0.703 368 N CB -0.760 37.744 38.487 0.028 0.000 1.005 368 N HN 0.085 nan 8.380 nan 0.000 0.550 369 D N 0.005 120.451 120.400 0.076 0.000 2.522 369 D HA 0.462 5.102 4.640 -0.001 0.000 0.218 369 D C 1.108 177.397 176.300 -0.018 0.000 1.149 369 D CA 0.318 54.338 54.000 0.033 0.000 0.981 369 D CB 0.164 41.017 40.800 0.089 0.000 1.041 369 D HN 0.381 nan 8.370 nan 0.000 0.518 370 A N 3.591 126.402 122.820 -0.015 0.000 1.908 370 A HA -0.188 4.131 4.320 -0.001 0.000 0.218 370 A C 2.084 179.634 177.584 -0.056 0.000 1.181 370 A CA 1.027 53.052 52.037 -0.020 0.000 0.627 370 A CB -0.530 18.464 19.000 -0.010 0.000 0.818 370 A HN 0.599 nan 8.150 nan 0.000 0.445 371 L N -1.286 119.888 121.223 -0.081 0.000 1.994 371 L HA -0.193 4.147 4.340 -0.001 0.000 0.208 371 L C 2.494 179.259 176.870 -0.176 0.000 1.071 371 L CA 1.917 56.695 54.840 -0.102 0.000 0.745 371 L CB -0.237 41.766 42.059 -0.093 0.000 0.892 371 L HN 0.286 nan 8.230 nan 0.000 0.431 372 M N -0.640 118.766 119.600 -0.323 0.000 2.296 372 M HA -0.097 4.382 4.480 -0.001 0.000 0.265 372 M C 2.395 178.394 176.300 -0.502 0.000 1.064 372 M CA 1.549 56.481 55.300 -0.612 0.000 1.109 372 M CB -1.563 30.241 32.600 -1.325 0.000 1.396 372 M HN 0.478 nan 8.290 nan 0.000 0.430 373 A N -0.738 121.930 122.820 -0.253 0.000 1.877 373 A HA -0.154 4.166 4.320 -0.001 0.000 0.216 373 A C 2.397 179.997 177.584 0.026 0.000 1.186 373 A CA 2.339 54.380 52.037 0.007 0.000 0.620 373 A CB -1.155 17.884 19.000 0.066 0.000 0.822 373 A HN 0.423 nan 8.150 nan 0.000 0.443 374 T N -0.992 113.561 114.554 -0.002 0.000 2.821 374 T HA -0.119 4.231 4.350 -0.001 0.000 0.267 374 T C 1.910 176.635 174.700 0.041 0.000 1.046 374 T CA 1.802 63.928 62.100 0.044 0.000 1.139 374 T CB -0.211 68.675 68.868 0.031 0.000 0.871 374 T HN 0.606 nan 8.240 nan 0.000 0.454 375 E N 0.375 120.560 120.200 -0.025 0.000 2.204 375 E HA -0.060 4.289 4.350 -0.001 0.000 0.194 375 E C 2.110 178.719 176.600 0.016 0.000 0.989 375 E CA 1.402 57.785 56.400 -0.028 0.000 0.824 375 E CB -0.562 29.090 29.700 -0.081 0.000 0.756 375 E HN 0.376 nan 8.360 nan 0.000 0.477 376 T N 0.665 115.244 114.554 0.041 0.000 2.821 376 T HA -0.040 4.310 4.350 -0.001 0.000 0.267 376 T C 1.690 176.475 174.700 0.141 0.000 1.046 376 T CA 1.120 63.288 62.100 0.113 0.000 1.139 376 T CB -0.131 68.856 68.868 0.199 0.000 0.871 376 T HN 0.144 nan 8.240 nan 0.000 0.454 377 L N 0.319 121.648 121.223 0.176 0.000 2.072 377 L HA -0.024 4.316 4.340 -0.001 0.000 0.205 377 L C 2.739 179.749 176.870 0.233 0.000 1.079 377 L CA 0.921 55.942 54.840 0.302 0.000 0.752 377 L CB -0.375 41.910 42.059 0.376 0.000 0.906 377 L HN 0.060 nan 8.230 nan 0.000 0.436 378 K N 0.533 121.017 120.400 0.140 0.000 2.097 378 K HA -0.141 4.179 4.320 -0.001 0.000 0.206 378 K C 2.121 178.727 176.600 0.010 0.000 1.049 378 K CA 1.252 57.569 56.287 0.050 0.000 0.933 378 K CB -0.298 32.194 32.500 -0.014 0.000 0.717 378 K HN 0.307 nan 8.250 nan 0.000 0.442 379 R N 0.171 120.682 120.500 0.019 0.000 2.120 379 R HA -0.080 4.259 4.340 -0.001 0.000 0.234 379 R C 2.269 178.556 176.300 -0.021 0.000 1.123 379 R CA 1.238 57.334 56.100 -0.007 0.000 0.975 379 R CB -0.248 30.059 30.300 0.011 0.000 0.866 379 R HN 0.169 nan 8.270 nan 0.000 0.446 380 A N 0.236 123.068 122.820 0.021 0.000 1.855 380 A HA -0.176 4.144 4.320 -0.001 0.000 0.213 380 A C 1.947 179.464 177.584 -0.111 0.000 1.195 380 A CA 0.884 52.933 52.037 0.020 0.000 0.610 380 A CB -0.759 18.354 19.000 0.187 0.000 0.837 380 A HN 0.406 nan 8.150 nan 0.000 0.444 381 Y N 0.869 120.898 120.300 -0.452 0.000 2.207 381 Y HA -0.175 4.375 4.550 -0.001 0.000 0.287 381 Y C 2.331 178.025 175.900 -0.344 0.000 1.156 381 Y CA 1.947 59.633 58.100 -0.690 0.000 1.182 381 Y CB -0.200 37.674 38.460 -0.977 0.000 0.979 381 Y HN 0.227 nan 8.280 nan 0.000 0.521 382 R N -0.259 120.048 120.500 -0.323 0.000 2.280 382 R HA -0.011 4.328 4.340 -0.001 0.000 0.207 382 R C 0.336 176.461 176.300 -0.291 0.000 1.043 382 R CA 0.873 56.774 56.100 -0.332 0.000 1.006 382 R CB -0.500 29.700 30.300 -0.167 0.000 0.885 382 R HN 0.164 nan 8.270 nan 0.000 0.467 383 T N 1.655 116.061 114.554 -0.248 0.000 2.799 383 T HA -0.033 4.316 4.350 -0.001 0.000 0.296 383 T C -0.157 174.416 174.700 -0.212 0.000 0.947 383 T CA -0.090 61.896 62.100 -0.190 0.000 1.141 383 T CB 0.887 69.668 68.868 -0.145 0.000 0.891 383 T HN 0.001 nan 8.240 nan 0.000 0.533 384 D N 3.458 123.754 120.400 -0.173 0.000 2.374 384 D HA 0.085 4.724 4.640 -0.001 0.000 0.240 384 D C 1.169 177.393 176.300 -0.127 0.000 1.229 384 D CA -0.701 53.206 54.000 -0.155 0.000 0.895 384 D CB 0.361 41.087 40.800 -0.123 0.000 1.046 384 D HN 0.343 nan 8.370 nan 0.000 0.498 385 V N 1.617 121.453 119.914 -0.129 0.000 3.623 385 V HA 0.089 4.209 4.120 -0.001 0.000 0.271 385 V C 1.770 177.826 176.094 -0.064 0.000 1.248 385 V CA 0.225 62.464 62.300 -0.102 0.000 1.156 385 V CB -0.125 31.630 31.823 -0.114 0.000 0.870 385 V HN 0.305 nan 8.190 nan 0.000 0.453 386 E N 2.567 122.730 120.200 -0.060 0.000 2.114 386 E HA -0.152 4.197 4.350 -0.001 0.000 0.199 386 E C -0.132 176.473 176.600 0.008 0.000 1.008 386 E CA 2.557 58.938 56.400 -0.033 0.000 0.810 386 E CB -1.494 28.184 29.700 -0.036 0.000 0.739 386 E HN 0.521 nan 8.360 nan 0.000 0.456 387 P HA -0.105 nan 4.420 nan 0.000 0.216 387 P C 1.239 178.669 177.300 0.217 0.000 1.150 387 P CA 1.265 64.438 63.100 0.121 0.000 0.837 387 P CB -0.032 31.746 31.700 0.130 0.000 0.786 388 I N -1.753 118.907 120.570 0.151 0.000 2.202 388 I HA -0.219 3.951 4.170 -0.001 0.000 0.242 388 I C 1.964 178.140 176.117 0.099 0.000 1.091 388 I CA 1.164 62.575 61.300 0.184 0.000 1.368 388 I CB -0.664 37.369 38.000 0.055 0.000 1.058 388 I HN -0.107 nan 8.210 nan 0.000 0.410 389 L N 0.848 122.094 121.223 0.038 0.000 2.012 389 L HA -0.195 4.145 4.340 -0.001 0.000 0.210 389 L C 2.707 179.587 176.870 0.017 0.000 1.073 389 L CA 2.209 57.058 54.840 0.015 0.000 0.748 389 L CB -1.248 40.804 42.059 -0.013 0.000 0.891 389 L HN 0.210 nan 8.230 nan 0.000 0.431 390 A N -0.734 122.097 122.820 0.019 0.000 1.877 390 A HA -0.250 4.069 4.320 -0.001 0.000 0.216 390 A C 2.317 179.888 177.584 -0.020 0.000 1.186 390 A CA 1.797 53.836 52.037 0.002 0.000 0.620 390 A CB -0.600 18.403 19.000 0.005 0.000 0.822 390 A HN 0.417 nan 8.150 nan 0.000 0.443 391 E N 0.466 120.646 120.200 -0.034 0.000 2.110 391 E HA -0.062 4.287 4.350 -0.001 0.000 0.193 391 E C 1.936 178.492 176.600 -0.072 0.000 0.988 391 E CA 1.674 57.996 56.400 -0.130 0.000 0.804 391 E CB -0.546 28.949 29.700 -0.341 0.000 0.745 391 E HN 0.450 nan 8.360 nan 0.000 0.458 392 A N 0.845 123.658 122.820 -0.012 0.000 1.940 392 A HA -0.196 4.123 4.320 -0.001 0.000 0.219 392 A C 2.257 179.848 177.584 0.011 0.000 1.176 392 A CA 1.715 53.759 52.037 0.011 0.000 0.631 392 A CB -0.482 18.540 19.000 0.037 0.000 0.814 392 A HN 0.238 nan 8.150 nan 0.000 0.446 393 R N -1.138 119.365 120.500 0.005 0.000 2.066 393 R HA -0.086 4.253 4.340 -0.001 0.000 0.232 393 R C 2.553 178.848 176.300 -0.009 0.000 1.131 393 R CA 1.322 57.426 56.100 0.007 0.000 0.955 393 R CB -0.372 29.929 30.300 0.002 0.000 0.851 393 R HN 0.557 nan 8.270 nan 0.000 0.432 394 R N 1.318 121.800 120.500 -0.029 0.000 2.096 394 R HA -0.172 4.167 4.340 -0.001 0.000 0.240 394 R C 2.172 178.450 176.300 -0.037 0.000 1.139 394 R CA 1.769 57.844 56.100 -0.042 0.000 0.952 394 R CB -0.090 30.170 30.300 -0.067 0.000 0.854 394 R HN 0.178 nan 8.270 nan 0.000 0.436 395 R N -0.617 119.860 120.500 -0.038 0.000 2.120 395 R HA -0.070 4.269 4.340 -0.001 0.000 0.234 395 R C 1.807 178.106 176.300 -0.001 0.000 1.123 395 R CA 1.795 57.880 56.100 -0.025 0.000 0.975 395 R CB -0.173 30.113 30.300 -0.024 0.000 0.866 395 R HN 0.404 nan 8.270 nan 0.000 0.446 396 T N -3.202 111.359 114.554 0.012 0.000 3.163 396 T HA 0.293 4.642 4.350 -0.001 0.000 0.252 396 T C 1.102 175.816 174.700 0.024 0.000 1.056 396 T CA 0.230 62.349 62.100 0.032 0.000 0.947 396 T CB 0.981 69.887 68.868 0.063 0.000 1.016 396 T HN 0.380 nan 8.240 nan 0.000 0.554 397 G N 0.019 108.821 108.800 0.003 0.000 2.141 397 G HA2 -0.041 3.918 3.960 -0.001 0.000 0.242 397 G HA3 -0.041 3.918 3.960 -0.001 0.000 0.242 397 G C 0.396 175.289 174.900 -0.011 0.000 0.982 397 G CA -0.283 44.812 45.100 -0.008 0.000 0.662 397 G HN 1.011 nan 8.290 nan 0.000 0.527 398 G N -0.677 108.120 108.800 -0.005 0.000 2.568 398 G HA2 0.863 4.822 3.960 -0.001 0.000 0.293 398 G HA3 0.863 4.822 3.960 -0.001 0.000 0.293 398 G C 0.138 175.028 174.900 -0.015 0.000 1.347 398 G CA 0.138 45.235 45.100 -0.005 0.000 1.039 398 G HN 1.510 nan 8.290 nan 0.000 0.523 399 A N -1.212 121.601 122.820 -0.011 0.000 2.312 399 A HA 0.561 4.880 4.320 -0.001 0.000 0.326 399 A C 1.159 178.736 177.584 -0.011 0.000 1.172 399 A CA -0.495 51.535 52.037 -0.012 0.000 0.821 399 A CB 1.590 20.587 19.000 -0.004 0.000 1.166 399 A HN 0.694 nan 8.150 nan 0.000 0.493 400 V N 1.178 121.082 119.914 -0.015 0.000 2.332 400 V HA -0.106 4.013 4.120 -0.001 0.000 0.248 400 V C 0.777 176.866 176.094 -0.008 0.000 1.055 400 V CA 2.401 64.692 62.300 -0.015 0.000 1.038 400 V CB -0.368 31.443 31.823 -0.019 0.000 0.651 400 V HN 0.884 nan 8.190 nan 0.000 0.450 401 D N -1.423 118.975 120.400 -0.004 0.000 2.408 401 D HA 0.251 4.890 4.640 -0.001 0.000 0.261 401 D C -1.984 174.322 176.300 0.009 0.000 1.190 401 D CA -2.095 51.906 54.000 0.001 0.000 0.910 401 D CB 1.972 42.774 40.800 0.004 0.000 1.097 401 D HN 0.037 nan 8.370 nan 0.000 0.522 402 P HA -0.174 nan 4.420 nan 0.000 0.214 402 P C 1.652 178.973 177.300 0.036 0.000 1.163 402 P CA 0.713 63.817 63.100 0.007 0.000 0.889 402 P CB 0.489 32.177 31.700 -0.020 0.000 0.790 403 V N -0.175 119.753 119.914 0.024 0.000 2.407 403 V HA -0.240 3.880 4.120 -0.001 0.000 0.248 403 V C 2.448 178.615 176.094 0.121 0.000 1.055 403 V CA 2.185 64.525 62.300 0.065 0.000 1.049 403 V CB -1.746 30.092 31.823 0.025 0.000 0.662 403 V HN 0.104 nan 8.190 nan 0.000 0.455 404 A N -0.401 122.460 122.820 0.069 0.000 1.933 404 A HA -0.204 4.115 4.320 -0.001 0.000 0.218 404 A C 2.388 180.006 177.584 0.058 0.000 1.175 404 A CA 2.409 54.479 52.037 0.056 0.000 0.628 404 A CB -0.814 18.203 19.000 0.029 0.000 0.814 404 A HN 0.503 nan 8.150 nan 0.000 0.444 405 T N -1.695 112.896 114.554 0.061 0.000 2.857 405 T HA -0.108 4.241 4.350 -0.001 0.000 0.266 405 T C 1.770 176.515 174.700 0.074 0.000 1.048 405 T CA 1.438 63.567 62.100 0.048 0.000 1.139 405 T CB -0.405 68.483 68.868 0.034 0.000 0.874 405 T HN 0.577 nan 8.240 nan 0.000 0.455 406 Y N 2.436 122.727 120.300 -0.015 0.000 2.128 406 Y HA -0.178 4.371 4.550 -0.001 0.000 0.284 406 Y C 2.436 178.353 175.900 0.030 0.000 1.154 406 Y CA 1.393 59.487 58.100 -0.009 0.000 1.149 406 Y CB -0.197 38.247 38.460 -0.027 0.000 0.976 406 Y HN 0.003 nan 8.280 nan 0.000 0.505 407 R N -0.126 120.387 120.500 0.021 0.000 2.092 407 R HA -0.097 4.242 4.340 -0.001 0.000 0.231 407 R C 2.495 178.749 176.300 -0.078 0.000 1.119 407 R CA 1.010 57.071 56.100 -0.065 0.000 0.970 407 R CB -0.608 29.722 30.300 0.049 0.000 0.864 407 R HN 0.455 nan 8.270 nan 0.000 0.440 408 A N 1.165 123.964 122.820 -0.035 0.000 1.972 408 A HA -0.162 4.157 4.320 -0.001 0.000 0.219 408 A C 2.172 179.729 177.584 -0.044 0.000 1.169 408 A CA 1.805 53.824 52.037 -0.029 0.000 0.635 408 A CB -0.423 18.571 19.000 -0.011 0.000 0.810 408 A HN 0.425 nan 8.150 nan 0.000 0.446 409 S N -1.396 114.268 115.700 -0.060 0.000 2.481 409 S HA 0.286 4.755 4.470 -0.001 0.000 0.231 409 S C 1.515 176.081 174.600 -0.057 0.000 0.996 409 S CA 1.115 59.290 58.200 -0.042 0.000 0.942 409 S CB -0.723 62.468 63.200 -0.016 0.000 0.768 409 S HN 1.947 nan 8.310 nan 0.000 0.520 410 G N 0.585 109.315 108.800 -0.117 0.000 2.225 410 G HA2 -0.390 3.570 3.960 -0.001 0.000 0.267 410 G HA3 -0.390 3.570 3.960 -0.001 0.000 0.267 410 G C 0.182 175.013 174.900 -0.114 0.000 1.024 410 G CA 0.506 45.538 45.100 -0.113 0.000 0.784 410 G HN 0.646 nan 8.290 nan 0.000 0.507 411 Y N 0.626 120.743 120.300 -0.305 0.000 2.165 411 Y HA -0.184 4.365 4.550 -0.001 0.000 0.286 411 Y C 2.776 178.592 175.900 -0.139 0.000 1.155 411 Y CA 2.658 60.628 58.100 -0.217 0.000 1.164 411 Y CB -0.140 38.174 38.460 -0.243 0.000 0.978 411 Y HN 0.336 nan 8.280 nan 0.000 0.513 412 R N 0.941 121.379 120.500 -0.102 0.000 2.081 412 R HA -0.134 4.205 4.340 -0.001 0.000 0.235 412 R C 2.276 178.522 176.300 -0.090 0.000 1.131 412 R CA 1.751 57.842 56.100 -0.016 0.000 0.960 412 R CB -1.214 29.137 30.300 0.086 0.000 0.856 412 R HN 0.415 nan 8.270 nan 0.000 0.436 413 A N 0.575 123.338 122.820 -0.094 0.000 1.902 413 A HA -0.147 4.172 4.320 -0.001 0.000 0.217 413 A C 2.268 179.787 177.584 -0.108 0.000 1.181 413 A CA 1.593 53.584 52.037 -0.077 0.000 0.623 413 A CB -0.515 18.448 19.000 -0.061 0.000 0.818 413 A HN 0.366 nan 8.150 nan 0.000 0.443 414 R N -0.474 119.929 120.500 -0.161 0.000 2.080 414 R HA -0.153 4.186 4.340 -0.001 0.000 0.236 414 R C 2.214 178.392 176.300 -0.204 0.000 1.137 414 R CA 2.046 58.039 56.100 -0.178 0.000 0.943 414 R CB -0.736 29.435 30.300 -0.215 0.000 0.846 414 R HN 0.603 nan 8.270 nan 0.000 0.431 415 V N -2.056 117.665 119.914 -0.322 0.000 2.626 415 V HA -0.044 4.075 4.120 -0.001 0.000 0.252 415 V C 2.214 178.243 176.094 -0.108 0.000 1.067 415 V CA 1.616 63.773 62.300 -0.238 0.000 1.081 415 V CB -0.848 30.791 31.823 -0.307 0.000 0.686 415 V HN 0.269 nan 8.190 nan 0.000 0.468 416 A N 0.938 123.705 122.820 -0.088 0.000 1.902 416 A HA 0.067 4.386 4.320 -0.001 0.000 0.217 416 A C 2.457 180.022 177.584 -0.032 0.000 1.181 416 A CA 2.273 54.288 52.037 -0.037 0.000 0.623 416 A CB -0.981 18.005 19.000 -0.023 0.000 0.818 416 A HN 0.947 nan 8.150 nan 0.000 0.443 417 A N -0.317 122.475 122.820 -0.045 0.000 2.014 417 A HA -0.057 4.262 4.320 -0.001 0.000 0.218 417 A C 1.838 179.404 177.584 -0.029 0.000 1.163 417 A CA 1.365 53.383 52.037 -0.033 0.000 0.652 417 A CB -0.347 18.631 19.000 -0.036 0.000 0.808 417 A HN 0.649 nan 8.150 nan 0.000 0.449 418 E N -0.382 119.794 120.200 -0.040 0.000 2.230 418 E HA -0.010 4.339 4.350 -0.001 0.000 0.192 418 E C 0.203 176.797 176.600 -0.011 0.000 0.987 418 E CA 0.272 56.656 56.400 -0.028 0.000 0.841 418 E CB 0.089 29.765 29.700 -0.040 0.000 0.783 418 E HN 0.464 nan 8.360 nan 0.000 0.481 419 R N 2.388 122.882 120.500 -0.009 0.000 2.295 419 R HA 0.271 4.611 4.340 -0.001 0.000 0.324 419 R C -2.426 173.880 176.300 0.011 0.000 0.968 419 R CA -1.904 54.201 56.100 0.008 0.000 0.837 419 R CB 0.981 31.291 30.300 0.016 0.000 1.133 419 R HN -0.010 nan 8.270 nan 0.000 0.450 420 P HA 0.116 nan 4.420 nan 0.000 0.279 420 P C -0.733 176.579 177.300 0.020 0.000 1.239 420 P CA -0.346 62.763 63.100 0.016 0.000 0.789 420 P CB 1.298 33.007 31.700 0.016 0.000 0.933 421 A N 3.123 125.955 122.820 0.020 0.000 2.388 421 A HA 0.288 4.608 4.320 -0.001 0.000 0.257 421 A C 0.752 178.348 177.584 0.021 0.000 1.095 421 A CA -0.164 51.887 52.037 0.023 0.000 0.791 421 A CB -0.264 18.751 19.000 0.025 0.000 1.029 421 A HN 0.553 nan 8.150 nan 0.000 0.489 422 S N -0.567 115.145 115.700 0.020 0.000 2.573 422 S HA 0.408 4.877 4.470 -0.001 0.000 0.277 422 S C 0.511 175.121 174.600 0.015 0.000 1.346 422 S CA 0.348 58.557 58.200 0.016 0.000 1.034 422 S CB 0.520 63.727 63.200 0.012 0.000 0.879 422 S HN 1.284 nan 8.310 nan 0.000 0.528 423 V N 0.000 119.922 119.914 0.014 0.000 2.409 423 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 423 V CA 0.000 62.308 62.300 0.013 0.000 1.235 423 V CB 0.000 31.831 31.823 0.013 0.000 1.184 423 V HN 0.000 nan 8.190 nan 0.000 0.556