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 3ckq_1_A DATA FIRST_RESID 15 DATA SEQUENCE GLRDTRPGDT WLADRSWNRP GWTVAELEAA KAGRTISVVL PALDEEDTIG DATA SEQUENCE SVIDSISPLV DGLVDELIVL DSGSTDDTEI RAVAAGARVV SREQALPEVP DATA SEQUENCE IRPGKGEALW RSLAASRGDI VVFVDSDLIN PHPMFVPWLV GPLLTGDGVH DATA SEQUENCE LVKSFYRRPL XXXXXXXXXX XXXGGRVTEL VARPLLAALR PELGCILQPL DATA SEQUENCE GGEYAATREL LTSVPFAPGY GVEIGLLVDT FDRLGLDAIA QVNLGVREHR DATA SEQUENCE NRPLAELGAM SRQVIATLLS RCGIPDSGVG LTQFVADGPE GQSYTQHTWP DATA SEQUENCE VSLADRPPMQ AIRPR 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 15 G HA2 0.000 nan 3.960 nan 0.000 0.244 15 G HA3 0.000 3.962 3.960 0.004 0.000 0.244 15 G C 0.000 174.325 174.900 -0.958 0.000 0.946 15 G CA 0.000 44.823 45.100 -0.462 0.000 0.502 16 L N 1.440 122.276 121.223 -0.645 0.000 2.599 16 L HA 0.275 4.617 4.340 0.004 0.000 0.230 16 L C 2.587 179.216 176.870 -0.401 0.000 1.141 16 L CA 0.133 54.607 54.840 -0.610 0.000 0.877 16 L CB -0.004 41.793 42.059 -0.435 0.000 1.009 16 L HN 0.169 nan 8.230 nan 0.000 0.447 17 R N -0.618 119.684 120.500 -0.331 0.000 2.236 17 R HA 0.016 4.359 4.340 0.004 0.000 0.208 17 R C -0.133 176.029 176.300 -0.231 0.000 1.036 17 R CA 0.456 56.420 56.100 -0.226 0.000 1.001 17 R CB 0.093 30.295 30.300 -0.164 0.000 0.896 17 R HN 0.081 nan 8.270 nan 0.000 0.464 18 D N -0.093 120.118 120.400 -0.315 0.000 2.452 18 D HA 0.072 4.714 4.640 0.004 0.000 0.226 18 D C -1.671 174.394 176.300 -0.392 0.000 1.366 18 D CA -0.066 53.765 54.000 -0.281 0.000 0.986 18 D CB 1.591 42.269 40.800 -0.203 0.000 1.420 18 D HN -0.160 nan 8.370 nan 0.000 0.583 19 T N 2.677 117.009 114.554 -0.370 0.000 2.861 19 T HA 0.643 4.995 4.350 0.004 0.000 0.287 19 T C -0.898 173.648 174.700 -0.256 0.000 1.003 19 T CA -0.642 61.210 62.100 -0.413 0.000 0.977 19 T CB 0.981 69.525 68.868 -0.539 0.000 0.996 19 T HN 0.163 nan 8.240 nan 0.000 0.448 20 R N 3.749 124.102 120.500 -0.245 0.000 2.664 20 R HA 0.450 4.792 4.340 0.004 0.000 0.286 20 R C -2.782 173.319 176.300 -0.332 0.000 0.967 20 R CA -2.694 53.269 56.100 -0.228 0.000 0.933 20 R CB 1.112 31.301 30.300 -0.185 0.000 1.146 20 R HN 0.479 nan 8.270 nan 0.000 0.468 21 P HA 0.027 nan 4.420 nan 0.000 0.254 21 P C 0.498 177.092 177.300 -1.177 0.000 1.186 21 P CA 1.021 63.660 63.100 -0.768 0.000 0.868 21 P CB 0.043 31.358 31.700 -0.641 0.000 0.856 22 G N 2.615 110.724 108.800 -1.151 0.000 2.624 22 G HA2 -0.144 3.818 3.960 0.004 0.000 0.190 22 G HA3 -0.144 3.818 3.960 0.004 0.000 0.190 22 G C -0.267 174.425 174.900 -0.347 0.000 1.008 22 G CA -0.602 43.875 45.100 -1.038 0.000 0.731 22 G HN 0.408 nan 8.290 nan 0.000 0.478 23 D N 2.132 122.415 120.400 -0.195 0.000 2.488 23 D HA 0.462 5.104 4.640 0.004 0.000 0.238 23 D C 0.369 176.892 176.300 0.371 0.000 1.138 23 D CA 1.007 55.084 54.000 0.128 0.000 0.873 23 D CB 1.016 41.892 40.800 0.128 0.000 1.183 23 D HN 0.127 nan 8.370 nan 0.000 0.458 24 T N 2.413 117.192 114.554 0.375 0.000 2.794 24 T HA 0.264 4.617 4.350 0.004 0.000 0.280 24 T C -0.671 174.068 174.700 0.066 0.000 0.987 24 T CA -0.637 61.607 62.100 0.240 0.000 0.993 24 T CB 0.737 69.718 68.868 0.188 0.000 0.939 24 T HN 0.264 nan 8.240 nan 0.000 0.449 25 W N 4.724 125.706 121.300 -0.530 0.000 2.475 25 W HA 0.634 5.296 4.660 0.004 0.000 0.317 25 W C -1.443 174.796 176.519 -0.468 0.000 1.046 25 W CA -1.701 55.038 57.345 -1.009 0.000 1.215 25 W CB 0.314 28.823 29.460 -1.586 0.000 1.335 25 W HN 0.530 nan 8.180 nan 0.000 0.471 26 L N 5.003 125.988 121.223 -0.397 0.000 2.387 26 L HA 0.446 4.788 4.340 0.004 0.000 0.266 26 L C 1.615 178.118 176.870 -0.612 0.000 1.059 26 L CA -0.345 54.276 54.840 -0.366 0.000 0.801 26 L CB 0.990 42.946 42.059 -0.171 0.000 1.223 26 L HN 0.601 nan 8.230 nan 0.000 0.456 27 A N 0.673 123.246 122.820 -0.411 0.000 1.948 27 A HA -0.196 4.126 4.320 0.004 0.000 0.220 27 A C 1.280 178.641 177.584 -0.372 0.000 1.177 27 A CA 1.895 53.692 52.037 -0.400 0.000 0.636 27 A CB -0.659 18.218 19.000 -0.204 0.000 0.815 27 A HN 0.884 nan 8.150 nan 0.000 0.449 28 D N -1.308 118.940 120.400 -0.252 0.000 2.663 28 D HA 0.261 4.903 4.640 0.004 0.000 0.243 28 D C 0.785 177.026 176.300 -0.097 0.000 1.218 28 D CA 0.591 54.506 54.000 -0.142 0.000 0.846 28 D CB -1.261 39.496 40.800 -0.071 0.000 1.014 28 D HN 0.674 nan 8.370 nan 0.000 0.476 29 R N -0.004 120.379 120.500 -0.195 0.000 3.416 29 R HA -0.160 4.182 4.340 0.004 0.000 0.263 29 R C 0.323 176.827 176.300 0.340 0.000 1.053 29 R CA 1.058 57.253 56.100 0.158 0.000 0.705 29 R CB -3.378 27.066 30.300 0.240 0.000 1.124 29 R HN 0.770 nan 8.270 nan 0.000 0.444 30 S N -1.780 114.015 115.700 0.158 0.000 2.502 30 S HA 0.818 5.290 4.470 0.004 0.000 0.304 30 S C -0.414 174.314 174.600 0.214 0.000 1.097 30 S CA -0.941 57.382 58.200 0.206 0.000 1.045 30 S CB 1.744 65.003 63.200 0.098 0.000 1.019 30 S HN 0.669 nan 8.310 nan 0.000 0.481 31 W N 1.824 123.277 121.300 0.255 0.000 2.509 31 W HA 0.620 5.282 4.660 0.003 0.000 0.351 31 W C 0.496 177.083 176.519 0.114 0.000 1.107 31 W CA -0.464 56.996 57.345 0.191 0.000 1.264 31 W CB 1.318 30.809 29.460 0.053 0.000 1.312 31 W HN 0.784 nan 8.180 nan 0.000 0.608 32 N N 1.714 120.643 118.700 0.382 0.000 2.397 32 N HA 0.296 5.038 4.740 0.004 0.000 0.291 32 N C -1.546 174.068 175.510 0.173 0.000 1.065 32 N CA -0.771 52.414 53.050 0.225 0.000 0.884 32 N CB 1.515 40.108 38.487 0.177 0.000 1.551 32 N HN 0.523 nan 8.380 nan 0.000 0.487 33 R N 3.606 124.155 120.500 0.081 0.000 2.202 33 R HA 0.360 4.702 4.340 0.004 0.000 0.334 33 R C -2.078 174.160 176.300 -0.103 0.000 1.036 33 R CA -1.215 54.875 56.100 -0.017 0.000 0.878 33 R CB 0.627 30.903 30.300 -0.041 0.000 1.067 33 R HN 0.375 nan 8.270 nan 0.000 0.457 34 P HA 0.107 nan 4.420 nan 0.000 0.269 34 P C -0.318 176.548 177.300 -0.724 0.000 1.252 34 P CA -0.144 62.568 63.100 -0.646 0.000 0.780 34 P CB 1.325 32.430 31.700 -0.991 0.000 0.829 35 G N 4.371 112.868 108.800 -0.505 0.000 4.084 35 G HA2 0.321 4.283 3.960 0.004 0.000 0.293 35 G HA3 0.321 4.283 3.960 0.004 0.000 0.293 35 G C -0.206 174.646 174.900 -0.081 0.000 1.303 35 G CA -0.663 44.297 45.100 -0.235 0.000 1.289 35 G HN 0.577 nan 8.290 nan 0.000 0.609 36 W N 0.170 121.520 121.300 0.083 0.000 3.017 36 W HA 0.723 5.385 4.660 0.003 0.000 0.341 36 W C -0.160 176.400 176.519 0.068 0.000 1.180 36 W CA -0.784 56.602 57.345 0.068 0.000 1.097 36 W CB 0.635 30.133 29.460 0.063 0.000 1.468 36 W HN 0.137 nan 8.180 nan 0.000 0.584 37 T N -2.725 112.118 114.554 0.483 0.000 2.870 37 T HA 0.358 4.711 4.350 0.004 0.000 0.277 37 T C 0.706 175.571 174.700 0.275 0.000 1.000 37 T CA -0.555 61.744 62.100 0.331 0.000 0.982 37 T CB 1.449 70.419 68.868 0.169 0.000 1.249 37 T HN 0.251 nan 8.240 nan 0.000 0.589 38 V N 0.910 120.914 119.914 0.151 0.000 2.490 38 V HA -0.041 4.081 4.120 0.004 0.000 0.250 38 V C 3.105 179.206 176.094 0.012 0.000 1.061 38 V CA 2.105 64.437 62.300 0.052 0.000 1.064 38 V CB -1.673 30.161 31.823 0.019 0.000 0.670 38 V HN 1.028 nan 8.190 nan 0.000 0.461 39 A N -0.336 122.504 122.820 0.033 0.000 1.968 39 A HA -0.171 4.152 4.320 0.004 0.000 0.217 39 A C 2.201 179.790 177.584 0.008 0.000 1.169 39 A CA 1.520 53.566 52.037 0.015 0.000 0.638 39 A CB -0.321 18.694 19.000 0.026 0.000 0.812 39 A HN 0.616 nan 8.150 nan 0.000 0.446 40 E N -0.196 120.025 120.200 0.035 0.000 2.076 40 E HA -0.039 4.313 4.350 0.004 0.000 0.190 40 E C 1.874 178.427 176.600 -0.078 0.000 0.979 40 E CA 0.745 57.159 56.400 0.024 0.000 0.807 40 E CB -0.210 29.565 29.700 0.126 0.000 0.761 40 E HN 0.582 nan 8.360 nan 0.000 0.454 41 L N 0.997 122.115 121.223 -0.175 0.000 2.093 41 L HA -0.174 4.168 4.340 0.004 0.000 0.208 41 L C 2.566 179.325 176.870 -0.185 0.000 1.085 41 L CA 1.054 55.707 54.840 -0.312 0.000 0.755 41 L CB -0.256 41.518 42.059 -0.475 0.000 0.904 41 L HN 0.186 nan 8.230 nan 0.000 0.435 42 E N 0.278 120.407 120.200 -0.119 0.000 2.110 42 E HA -0.229 4.123 4.350 0.004 0.000 0.193 42 E C 2.136 178.694 176.600 -0.069 0.000 0.988 42 E CA 1.096 57.446 56.400 -0.084 0.000 0.804 42 E CB 0.059 29.724 29.700 -0.057 0.000 0.745 42 E HN 0.479 nan 8.360 nan 0.000 0.458 43 A N 0.475 123.259 122.820 -0.060 0.000 2.066 43 A HA 0.096 4.418 4.320 0.004 0.000 0.218 43 A C 2.093 179.645 177.584 -0.053 0.000 1.157 43 A CA 1.115 53.126 52.037 -0.044 0.000 0.670 43 A CB -0.154 18.829 19.000 -0.027 0.000 0.804 43 A HN 0.314 nan 8.150 nan 0.000 0.453 44 A N -0.648 122.123 122.820 -0.081 0.000 2.251 44 A HA 0.178 4.500 4.320 0.004 0.000 0.209 44 A C 1.809 179.342 177.584 -0.085 0.000 1.187 44 A CA 0.774 52.759 52.037 -0.087 0.000 0.823 44 A CB -0.148 18.775 19.000 -0.127 0.000 0.846 44 A HN 0.510 nan 8.150 nan 0.000 0.486 45 K N -0.165 120.187 120.400 -0.081 0.000 1.992 45 K HA 0.321 4.643 4.320 0.004 0.000 0.210 45 K C 0.869 177.438 176.600 -0.053 0.000 1.036 45 K CA 0.665 56.909 56.287 -0.072 0.000 0.946 45 K CB -0.393 32.065 32.500 -0.070 0.000 0.742 45 K HN 0.643 nan 8.250 nan 0.000 0.442 46 A N 0.542 123.335 122.820 -0.044 0.000 1.786 46 A HA -0.080 4.243 4.320 0.004 0.000 0.237 46 A C 0.928 178.493 177.584 -0.031 0.000 1.309 46 A CA 0.974 52.991 52.037 -0.033 0.000 0.713 46 A CB -1.960 17.022 19.000 -0.029 0.000 1.194 46 A HN 0.850 nan 8.150 nan 0.000 0.252 47 G N 1.341 110.123 108.800 -0.030 0.000 2.420 47 G HA2 -0.255 3.707 3.960 0.004 0.000 0.221 47 G HA3 -0.255 3.707 3.960 0.004 0.000 0.221 47 G C 0.416 175.298 174.900 -0.030 0.000 1.117 47 G CA 0.599 45.683 45.100 -0.026 0.000 0.657 47 G HN 1.297 nan 8.290 nan 0.000 0.512 48 R N 2.019 122.498 120.500 -0.035 0.000 2.438 48 R HA 0.525 4.867 4.340 0.004 0.000 0.287 48 R C 0.365 176.639 176.300 -0.044 0.000 1.077 48 R CA 0.777 56.854 56.100 -0.038 0.000 1.034 48 R CB 0.732 31.006 30.300 -0.043 0.000 0.993 48 R HN 0.474 nan 8.270 nan 0.000 0.459 49 T N -0.080 114.448 114.554 -0.044 0.000 2.912 49 T HA 0.611 4.963 4.350 0.004 0.000 0.288 49 T C 0.084 174.749 174.700 -0.058 0.000 1.030 49 T CA -0.838 61.233 62.100 -0.049 0.000 1.020 49 T CB 1.321 70.162 68.868 -0.045 0.000 1.056 49 T HN 0.320 nan 8.240 nan 0.000 0.480 50 I N 1.825 122.357 120.570 -0.064 0.000 2.406 50 I HA 0.441 4.613 4.170 0.004 0.000 0.290 50 I C -0.142 175.925 176.117 -0.082 0.000 0.999 50 I CA -0.660 60.595 61.300 -0.075 0.000 1.124 50 I CB 2.096 40.052 38.000 -0.074 0.000 1.289 50 I HN 0.642 nan 8.210 nan 0.000 0.441 51 S N 4.841 120.477 115.700 -0.107 0.000 2.482 51 S HA 0.608 5.080 4.470 0.004 0.000 0.303 51 S C -0.462 174.042 174.600 -0.159 0.000 1.091 51 S CA -0.646 57.483 58.200 -0.119 0.000 1.057 51 S CB 2.142 65.268 63.200 -0.124 0.000 1.031 51 S HN 0.270 nan 8.310 nan 0.000 0.485 52 V N 3.536 123.374 119.914 -0.126 0.000 2.417 52 V HA 0.489 4.611 4.120 0.004 0.000 0.291 52 V C -0.466 175.563 176.094 -0.108 0.000 1.024 52 V CA -0.596 61.626 62.300 -0.130 0.000 0.861 52 V CB 1.568 33.350 31.823 -0.067 0.000 0.985 52 V HN 0.682 nan 8.190 nan 0.000 0.436 53 V N 6.553 126.384 119.914 -0.138 0.000 2.495 53 V HA 0.508 4.630 4.120 0.004 0.000 0.298 53 V C -0.318 175.837 176.094 0.101 0.000 1.031 53 V CA -0.536 61.756 62.300 -0.012 0.000 0.871 53 V CB 1.797 33.635 31.823 0.026 0.000 0.988 53 V HN 0.661 nan 8.190 nan 0.000 0.432 54 L N 7.086 128.367 121.223 0.096 0.000 2.324 54 L HA 0.457 4.799 4.340 0.004 0.000 0.274 54 L C -2.433 174.504 176.870 0.111 0.000 1.012 54 L CA -1.746 53.158 54.840 0.108 0.000 0.859 54 L CB 1.849 43.950 42.059 0.071 0.000 1.224 54 L HN 0.392 nan 8.230 nan 0.000 0.429 55 P HA 0.178 nan 4.420 nan 0.000 0.267 55 P C -0.774 176.576 177.300 0.084 0.000 1.205 55 P CA -0.017 63.144 63.100 0.102 0.000 0.765 55 P CB 1.503 33.261 31.700 0.096 0.000 0.828 56 A N 4.039 126.901 122.820 0.070 0.000 2.402 56 A HA 0.546 4.868 4.320 0.004 0.000 0.291 56 A C -1.429 176.190 177.584 0.059 0.000 1.051 56 A CA -0.570 51.506 52.037 0.065 0.000 0.716 56 A CB 1.001 20.034 19.000 0.056 0.000 1.223 56 A HN 0.484 nan 8.150 nan 0.000 0.425 57 L N 2.643 123.905 121.223 0.065 0.000 2.417 57 L HA 0.510 4.852 4.340 0.004 0.000 0.259 57 L C -0.899 176.011 176.870 0.066 0.000 1.023 57 L CA 0.223 55.101 54.840 0.062 0.000 0.901 57 L CB 0.255 42.352 42.059 0.064 0.000 1.227 57 L HN 0.751 nan 8.230 nan 0.000 0.454 58 D N 3.522 123.956 120.400 0.056 0.000 3.729 58 D HA -0.185 4.457 4.640 0.004 0.000 0.242 58 D C -0.073 176.260 176.300 0.056 0.000 1.091 58 D CA 0.751 54.783 54.000 0.053 0.000 1.096 58 D CB -0.171 40.662 40.800 0.054 0.000 0.901 58 D HN 0.649 nan 8.370 nan 0.000 0.416 59 E N 0.148 120.379 120.200 0.050 0.000 3.428 59 E HA 0.040 4.392 4.350 0.004 0.000 0.191 59 E C 1.374 177.997 176.600 0.039 0.000 0.980 59 E CA -0.124 56.306 56.400 0.050 0.000 1.305 59 E CB 0.422 30.157 29.700 0.058 0.000 1.105 59 E HN 0.538 nan 8.360 nan 0.000 0.455 60 E N -0.121 120.099 120.200 0.034 0.000 2.267 60 E HA -0.247 4.105 4.350 0.004 0.000 0.197 60 E C 0.618 177.232 176.600 0.022 0.000 0.998 60 E CA 1.263 57.679 56.400 0.026 0.000 0.830 60 E CB 0.136 29.850 29.700 0.023 0.000 0.751 60 E HN 0.168 nan 8.360 nan 0.000 0.491 61 D N 0.766 121.181 120.400 0.025 0.000 2.201 61 D HA -0.073 4.569 4.640 0.004 0.000 0.209 61 D C 2.197 178.509 176.300 0.020 0.000 0.961 61 D CA 2.132 56.144 54.000 0.021 0.000 0.861 61 D CB -0.010 40.803 40.800 0.022 0.000 0.997 61 D HN 0.427 nan 8.370 nan 0.000 0.486 62 T N -0.524 114.046 114.554 0.027 0.000 2.976 62 T HA 0.058 4.410 4.350 0.004 0.000 0.257 62 T C 2.256 176.970 174.700 0.023 0.000 1.051 62 T CA -0.028 62.088 62.100 0.027 0.000 1.141 62 T CB -0.360 68.532 68.868 0.041 0.000 0.881 62 T HN 0.045 nan 8.240 nan 0.000 0.461 63 I N 2.020 122.606 120.570 0.027 0.000 2.264 63 I HA -0.079 4.093 4.170 0.004 0.000 0.248 63 I C 2.579 178.704 176.117 0.014 0.000 1.111 63 I CA 1.562 62.877 61.300 0.026 0.000 1.382 63 I CB -0.654 37.364 38.000 0.030 0.000 1.060 63 I HN 0.419 nan 8.210 nan 0.000 0.418 64 G N -0.662 108.144 108.800 0.009 0.000 2.459 64 G HA2 -0.361 3.601 3.960 0.004 0.000 0.217 64 G HA3 -0.361 3.601 3.960 0.004 0.000 0.217 64 G C 1.712 176.608 174.900 -0.007 0.000 1.183 64 G CA 0.984 46.084 45.100 0.001 0.000 0.776 64 G HN 0.451 nan 8.290 nan 0.000 0.552 65 S N -0.501 115.193 115.700 -0.008 0.000 2.382 65 S HA -0.093 4.379 4.470 0.004 0.000 0.228 65 S C 2.518 177.101 174.600 -0.028 0.000 1.027 65 S CA 1.446 59.634 58.200 -0.020 0.000 0.991 65 S CB -0.255 62.934 63.200 -0.018 0.000 0.823 65 S HN 0.136 nan 8.310 nan 0.000 0.469 66 V N 1.825 121.731 119.914 -0.013 0.000 2.295 66 V HA -0.158 3.964 4.120 0.004 0.000 0.246 66 V C 2.225 178.311 176.094 -0.014 0.000 1.049 66 V CA 2.027 64.322 62.300 -0.010 0.000 1.024 66 V CB -0.606 31.228 31.823 0.019 0.000 0.648 66 V HN 0.509 nan 8.190 nan 0.000 0.447 67 I N 0.013 120.578 120.570 -0.008 0.000 2.252 67 I HA -0.199 3.973 4.170 0.004 0.000 0.245 67 I C 2.229 178.332 176.117 -0.024 0.000 1.102 67 I CA 1.421 62.715 61.300 -0.010 0.000 1.385 67 I CB -0.523 37.474 38.000 -0.005 0.000 1.064 67 I HN 0.299 nan 8.210 nan 0.000 0.414 68 D N 0.592 120.974 120.400 -0.030 0.000 2.182 68 D HA -0.153 4.490 4.640 0.004 0.000 0.201 68 D C 2.374 178.641 176.300 -0.056 0.000 0.986 68 D CA 1.798 55.775 54.000 -0.039 0.000 0.847 68 D CB -0.156 40.620 40.800 -0.039 0.000 0.942 68 D HN 0.398 nan 8.370 nan 0.000 0.467 69 S N 0.073 115.731 115.700 -0.070 0.000 2.423 69 S HA -0.063 4.409 4.470 0.004 0.000 0.231 69 S C 2.025 176.575 174.600 -0.082 0.000 1.014 69 S CA 0.473 58.613 58.200 -0.100 0.000 0.965 69 S CB -0.340 62.778 63.200 -0.138 0.000 0.785 69 S HN 0.271 nan 8.310 nan 0.000 0.495 70 I N 1.143 121.682 120.570 -0.053 0.000 3.645 70 I HA 0.085 4.258 4.170 0.004 0.000 0.300 70 I C 2.282 178.377 176.117 -0.036 0.000 1.260 70 I CA 0.105 61.383 61.300 -0.036 0.000 1.365 70 I CB -0.251 37.740 38.000 -0.015 0.000 1.077 70 I HN 0.180 nan 8.210 nan 0.000 0.439 71 S N 2.055 117.733 115.700 -0.037 0.000 2.368 71 S HA -0.142 4.330 4.470 0.004 0.000 0.226 71 S C -0.361 174.218 174.600 -0.034 0.000 1.044 71 S CA 1.920 60.101 58.200 -0.033 0.000 1.062 71 S CB -1.281 61.901 63.200 -0.031 0.000 0.931 71 S HN 0.330 nan 8.310 nan 0.000 0.440 72 P HA 0.042 nan 4.420 nan 0.000 0.226 72 P C 0.962 178.240 177.300 -0.035 0.000 1.153 72 P CA 0.702 63.780 63.100 -0.037 0.000 0.777 72 P CB -0.116 31.559 31.700 -0.043 0.000 0.794 73 L N -1.820 119.380 121.223 -0.038 0.000 2.240 73 L HA -0.005 4.337 4.340 0.004 0.000 0.211 73 L C 0.828 177.678 176.870 -0.035 0.000 1.106 73 L CA 0.239 55.057 54.840 -0.037 0.000 0.793 73 L CB -0.681 41.355 42.059 -0.038 0.000 0.927 73 L HN -0.208 nan 8.230 nan 0.000 0.446 74 V N 0.867 120.762 119.914 -0.032 0.000 2.843 74 V HA -0.033 4.089 4.120 0.004 0.000 0.305 74 V C 0.725 176.802 176.094 -0.029 0.000 1.065 74 V CA 0.387 62.668 62.300 -0.031 0.000 1.116 74 V CB 0.917 32.723 31.823 -0.028 0.000 0.968 74 V HN 0.436 nan 8.190 nan 0.000 0.487 75 D N 1.867 122.249 120.400 -0.029 0.000 2.495 75 D HA -0.172 4.470 4.640 0.004 0.000 0.175 75 D C 1.145 177.428 176.300 -0.028 0.000 1.040 75 D CA 1.936 55.920 54.000 -0.027 0.000 1.049 75 D CB -1.303 39.483 40.800 -0.023 0.000 1.105 75 D HN 0.792 nan 8.370 nan 0.000 0.457 76 G N -0.380 108.402 108.800 -0.030 0.000 2.543 76 G HA2 0.297 4.260 3.960 0.004 0.000 0.221 76 G HA3 0.297 4.260 3.960 0.004 0.000 0.221 76 G C 1.219 176.097 174.900 -0.038 0.000 1.902 76 G CA 0.435 45.517 45.100 -0.031 0.000 0.838 76 G HN 0.218 nan 8.290 nan 0.000 0.650 77 L N 0.695 121.893 121.223 -0.042 0.000 2.049 77 L HA 0.301 4.644 4.340 0.004 0.000 0.203 77 L C 1.026 177.865 176.870 -0.053 0.000 1.074 77 L CA 0.822 55.631 54.840 -0.052 0.000 0.749 77 L CB -0.221 41.804 42.059 -0.056 0.000 0.907 77 L HN 0.028 nan 8.230 nan 0.000 0.439 78 V N 1.883 121.769 119.914 -0.047 0.000 2.455 78 V HA 0.026 4.148 4.120 0.004 0.000 0.273 78 V C 0.884 176.950 176.094 -0.045 0.000 1.045 78 V CA -0.083 62.188 62.300 -0.049 0.000 0.976 78 V CB 0.787 32.583 31.823 -0.044 0.000 0.993 78 V HN 0.361 nan 8.190 nan 0.000 0.475 79 D N 3.638 124.009 120.400 -0.049 0.000 2.162 79 D HA -0.008 4.634 4.640 0.004 0.000 0.203 79 D C 0.588 176.863 176.300 -0.042 0.000 0.967 79 D CA 0.952 54.926 54.000 -0.044 0.000 0.840 79 D CB 0.661 41.433 40.800 -0.046 0.000 0.972 79 D HN 0.874 nan 8.370 nan 0.000 0.482 80 E N 0.207 120.379 120.200 -0.047 0.000 2.335 80 E HA 0.435 4.787 4.350 0.004 0.000 0.280 80 E C -1.509 175.064 176.600 -0.046 0.000 0.918 80 E CA -0.842 55.532 56.400 -0.044 0.000 0.765 80 E CB 1.945 31.619 29.700 -0.045 0.000 1.218 80 E HN -0.151 nan 8.360 nan 0.000 0.425 81 L N 3.770 124.971 121.223 -0.036 0.000 2.280 81 L HA 0.575 4.917 4.340 0.004 0.000 0.287 81 L C -1.571 175.284 176.870 -0.024 0.000 1.023 81 L CA -0.433 54.388 54.840 -0.031 0.000 0.819 81 L CB 0.969 43.014 42.059 -0.024 0.000 1.212 81 L HN 0.697 nan 8.230 nan 0.000 0.420 82 I N 5.410 125.966 120.570 -0.023 0.000 2.465 82 I HA 0.421 4.593 4.170 0.004 0.000 0.291 82 I C -0.875 175.247 176.117 0.009 0.000 1.014 82 I CA -0.858 60.435 61.300 -0.012 0.000 1.093 82 I CB 2.185 40.172 38.000 -0.021 0.000 1.267 82 I HN 0.209 nan 8.210 nan 0.000 0.431 83 V N 6.736 126.659 119.914 0.016 0.000 2.347 83 V HA 0.284 4.406 4.120 0.004 0.000 0.280 83 V C -0.143 175.972 176.094 0.035 0.000 1.021 83 V CA -0.636 61.683 62.300 0.031 0.000 0.847 83 V CB 1.802 33.641 31.823 0.027 0.000 0.990 83 V HN 0.429 nan 8.190 nan 0.000 0.444 84 L N 4.776 126.031 121.223 0.053 0.000 2.268 84 L HA 0.431 4.773 4.340 0.004 0.000 0.289 84 L C -0.049 176.850 176.870 0.049 0.000 1.064 84 L CA 0.179 55.050 54.840 0.051 0.000 0.824 84 L CB 0.959 43.062 42.059 0.073 0.000 1.202 84 L HN 0.660 nan 8.230 nan 0.000 0.433 85 D N 2.441 122.864 120.400 0.037 0.000 2.339 85 D HA 0.045 4.687 4.640 0.004 0.000 0.256 85 D C 0.421 176.744 176.300 0.037 0.000 1.214 85 D CA 0.245 54.267 54.000 0.036 0.000 0.877 85 D CB 1.070 41.886 40.800 0.028 0.000 1.111 85 D HN 0.401 nan 8.370 nan 0.000 0.478 86 S N 2.355 118.079 115.700 0.041 0.000 2.768 86 S HA 0.338 4.810 4.470 0.004 0.000 0.246 86 S C 0.878 175.499 174.600 0.036 0.000 1.006 86 S CA 0.105 58.328 58.200 0.038 0.000 1.075 86 S CB -0.256 62.965 63.200 0.036 0.000 0.786 86 S HN 0.764 nan 8.310 nan 0.000 0.468 87 G N 1.701 110.521 108.800 0.033 0.000 2.470 87 G HA2 -0.212 3.750 3.960 0.004 0.000 0.286 87 G HA3 -0.212 3.750 3.960 0.004 0.000 0.286 87 G C -0.130 174.790 174.900 0.033 0.000 1.115 87 G CA -0.280 44.839 45.100 0.031 0.000 1.122 87 G HN 0.437 nan 8.290 nan 0.000 0.522 88 S N -0.145 115.575 115.700 0.033 0.000 2.548 88 S HA 0.485 4.957 4.470 0.004 0.000 0.277 88 S C 1.729 176.347 174.600 0.030 0.000 1.315 88 S CA 0.258 58.479 58.200 0.035 0.000 1.050 88 S CB 1.339 64.560 63.200 0.035 0.000 0.918 88 S HN 1.075 nan 8.310 nan 0.000 0.497 89 T N -1.127 113.446 114.554 0.031 0.000 3.037 89 T HA 0.029 4.381 4.350 0.004 0.000 0.251 89 T C 0.523 175.238 174.700 0.024 0.000 1.079 89 T CA 0.052 62.168 62.100 0.027 0.000 1.067 89 T CB -0.257 68.628 68.868 0.028 0.000 0.948 89 T HN 0.671 nan 8.240 nan 0.000 0.496 90 D N 1.700 122.115 120.400 0.026 0.000 2.430 90 D HA 0.151 4.793 4.640 0.004 0.000 0.285 90 D C -0.249 176.063 176.300 0.021 0.000 1.210 90 D CA -0.657 53.357 54.000 0.024 0.000 1.080 90 D CB -0.194 40.622 40.800 0.026 0.000 1.134 90 D HN -0.110 nan 8.370 nan 0.000 0.562 91 D N -1.458 118.954 120.400 0.019 0.000 2.538 91 D HA 0.139 4.782 4.640 0.004 0.000 0.234 91 D C 0.790 177.100 176.300 0.018 0.000 1.191 91 D CA 0.104 54.114 54.000 0.017 0.000 0.828 91 D CB -0.092 40.717 40.800 0.014 0.000 0.981 91 D HN 0.271 nan 8.370 nan 0.000 0.490 92 T N -0.422 114.145 114.554 0.022 0.000 2.737 92 T HA -0.155 4.197 4.350 0.004 0.000 0.265 92 T C 2.252 176.964 174.700 0.020 0.000 1.038 92 T CA 1.760 63.874 62.100 0.023 0.000 1.144 92 T CB -0.123 68.763 68.868 0.030 0.000 0.866 92 T HN 0.456 nan 8.240 nan 0.000 0.434 93 E N 1.850 122.061 120.200 0.019 0.000 2.085 93 E HA -0.136 4.216 4.350 0.004 0.000 0.194 93 E C 2.049 178.656 176.600 0.012 0.000 0.994 93 E CA 1.684 58.093 56.400 0.016 0.000 0.801 93 E CB -1.107 28.602 29.700 0.015 0.000 0.743 93 E HN 0.859 nan 8.360 nan 0.000 0.453 94 I N -3.015 117.561 120.570 0.011 0.000 2.584 94 I HA 0.121 4.293 4.170 0.004 0.000 0.255 94 I C 2.571 178.692 176.117 0.007 0.000 1.145 94 I CA 0.801 62.106 61.300 0.008 0.000 1.462 94 I CB 0.028 38.032 38.000 0.007 0.000 1.102 94 I HN 0.007 nan 8.210 nan 0.000 0.433 95 R N 1.450 121.955 120.500 0.009 0.000 2.236 95 R HA 0.159 4.501 4.340 0.004 0.000 0.208 95 R C 2.404 178.708 176.300 0.007 0.000 1.036 95 R CA 1.003 57.108 56.100 0.008 0.000 1.001 95 R CB -0.158 30.148 30.300 0.010 0.000 0.896 95 R HN 0.514 nan 8.270 nan 0.000 0.464 96 A N 0.501 123.327 122.820 0.009 0.000 1.930 96 A HA -0.047 4.275 4.320 0.004 0.000 0.215 96 A C 2.198 179.785 177.584 0.004 0.000 1.176 96 A CA 0.833 52.875 52.037 0.009 0.000 0.632 96 A CB -0.194 18.814 19.000 0.013 0.000 0.819 96 A HN 0.077 nan 8.150 nan 0.000 0.445 97 V N 0.057 119.973 119.914 0.003 0.000 2.343 97 V HA -0.226 3.896 4.120 0.004 0.000 0.247 97 V C 2.961 179.054 176.094 -0.002 0.000 1.051 97 V CA 1.842 64.142 62.300 0.000 0.000 1.036 97 V CB -1.225 30.598 31.823 0.001 0.000 0.654 97 V HN 0.566 nan 8.190 nan 0.000 0.451 98 A N -0.154 122.665 122.820 -0.001 0.000 2.121 98 A HA 0.085 4.407 4.320 0.004 0.000 0.218 98 A C 2.181 179.763 177.584 -0.005 0.000 1.154 98 A CA 1.522 53.558 52.037 -0.003 0.000 0.679 98 A CB -0.458 18.541 19.000 -0.001 0.000 0.795 98 A HN 0.580 nan 8.150 nan 0.000 0.458 99 A N -1.706 121.112 122.820 -0.004 0.000 2.251 99 A HA 0.431 4.753 4.320 0.004 0.000 0.209 99 A C 1.615 179.194 177.584 -0.009 0.000 1.187 99 A CA 1.049 53.082 52.037 -0.007 0.000 0.823 99 A CB -0.734 18.264 19.000 -0.005 0.000 0.846 99 A HN 1.816 nan 8.150 nan 0.000 0.486 100 G N -1.921 106.874 108.800 -0.008 0.000 2.165 100 G HA2 0.194 4.156 3.960 0.004 0.000 0.226 100 G HA3 0.194 4.156 3.960 0.004 0.000 0.226 100 G C 0.148 175.042 174.900 -0.010 0.000 1.035 100 G CA 0.241 45.335 45.100 -0.010 0.000 0.744 100 G HN 1.562 nan 8.290 nan 0.000 0.501 101 A N -0.369 122.447 122.820 -0.007 0.000 2.337 101 A HA 0.881 5.203 4.320 0.004 0.000 0.331 101 A C 0.382 177.963 177.584 -0.005 0.000 1.137 101 A CA -0.505 51.529 52.037 -0.006 0.000 0.807 101 A CB 1.040 20.040 19.000 -0.001 0.000 1.250 101 A HN 0.598 nan 8.150 nan 0.000 0.468 102 R N 1.736 122.232 120.500 -0.007 0.000 2.234 102 R HA 0.474 4.816 4.340 0.004 0.000 0.324 102 R C -1.362 174.936 176.300 -0.002 0.000 1.054 102 R CA -0.180 55.915 56.100 -0.007 0.000 0.912 102 R CB 0.526 30.819 30.300 -0.012 0.000 1.030 102 R HN 0.481 nan 8.270 nan 0.000 0.455 103 V N 5.818 125.732 119.914 0.000 0.000 2.383 103 V HA 0.274 4.396 4.120 0.004 0.000 0.275 103 V C -0.203 175.893 176.094 0.003 0.000 1.036 103 V CA -0.580 61.723 62.300 0.005 0.000 0.889 103 V CB 1.549 33.376 31.823 0.008 0.000 0.985 103 V HN 0.465 nan 8.190 nan 0.000 0.459 104 V N 4.675 124.592 119.914 0.005 0.000 2.444 104 V HA 0.461 4.583 4.120 0.004 0.000 0.294 104 V C 0.353 176.453 176.094 0.009 0.000 1.022 104 V CA -0.416 61.885 62.300 0.002 0.000 0.850 104 V CB 2.018 33.837 31.823 -0.007 0.000 0.992 104 V HN 0.990 nan 8.190 nan 0.000 0.426 105 S N 5.145 120.851 115.700 0.009 0.000 2.645 105 S HA 0.385 4.857 4.470 0.004 0.000 0.266 105 S C 1.069 175.678 174.600 0.015 0.000 1.258 105 S CA -0.493 57.717 58.200 0.016 0.000 0.990 105 S CB 1.028 64.237 63.200 0.016 0.000 0.967 105 S HN 0.630 nan 8.310 nan 0.000 0.556 106 R N 0.393 120.908 120.500 0.025 0.000 2.127 106 R HA -0.101 4.241 4.340 0.004 0.000 0.238 106 R C 2.003 178.317 176.300 0.023 0.000 1.134 106 R CA 1.828 57.947 56.100 0.031 0.000 0.975 106 R CB -0.442 29.885 30.300 0.045 0.000 0.865 106 R HN 0.698 nan 8.270 nan 0.000 0.447 107 E N 0.681 120.893 120.200 0.019 0.000 2.077 107 E HA -0.191 4.161 4.350 0.004 0.000 0.193 107 E C 1.911 178.513 176.600 0.004 0.000 0.989 107 E CA 1.453 57.862 56.400 0.015 0.000 0.800 107 E CB -0.039 29.669 29.700 0.014 0.000 0.746 107 E HN 0.484 nan 8.360 nan 0.000 0.452 108 Q N -0.503 119.296 119.800 -0.002 0.000 2.408 108 Q HA 0.292 4.634 4.340 0.004 0.000 0.205 108 Q C 1.879 177.864 176.000 -0.025 0.000 0.919 108 Q CA 0.731 56.527 55.803 -0.012 0.000 0.932 108 Q CB 0.325 29.057 28.738 -0.009 0.000 1.058 108 Q HN 0.190 nan 8.270 nan 0.000 0.517 109 A N 1.211 124.014 122.820 -0.028 0.000 1.929 109 A HA 0.080 4.402 4.320 0.004 0.000 0.216 109 A C 1.039 178.572 177.584 -0.086 0.000 1.176 109 A CA 0.781 52.785 52.037 -0.055 0.000 0.628 109 A CB 0.209 19.180 19.000 -0.049 0.000 0.816 109 A HN 0.327 nan 8.150 nan 0.000 0.444 110 L N -0.439 120.745 121.223 -0.065 0.000 2.422 110 L HA 0.331 4.673 4.340 0.004 0.000 0.263 110 L C -2.337 174.521 176.870 -0.020 0.000 1.372 110 L CA -0.990 53.805 54.840 -0.075 0.000 0.857 110 L CB 1.808 43.780 42.059 -0.144 0.000 1.024 110 L HN -0.049 nan 8.230 nan 0.000 0.507 111 P HA -0.122 nan 4.420 nan 0.000 0.223 111 P C 0.590 177.897 177.300 0.012 0.000 1.151 111 P CA 1.031 64.131 63.100 0.001 0.000 0.787 111 P CB 0.261 31.958 31.700 -0.005 0.000 0.788 112 E N -0.011 120.195 120.200 0.010 0.000 2.489 112 E HA 0.067 4.419 4.350 0.004 0.000 0.193 112 E C 0.090 176.715 176.600 0.041 0.000 1.057 112 E CA 0.125 56.536 56.400 0.020 0.000 0.866 112 E CB -0.229 29.477 29.700 0.011 0.000 0.916 112 E HN 0.080 nan 8.360 nan 0.000 0.500 113 V N 2.867 122.817 119.914 0.060 0.000 2.487 113 V HA 0.298 4.420 4.120 0.004 0.000 0.298 113 V C -2.340 173.807 176.094 0.088 0.000 1.028 113 V CA -2.117 60.242 62.300 0.099 0.000 0.860 113 V CB 1.682 33.620 31.823 0.192 0.000 0.991 113 V HN -0.014 nan 8.190 nan 0.000 0.427 114 P HA 0.168 nan 4.420 nan 0.000 0.266 114 P C -0.347 176.992 177.300 0.065 0.000 1.193 114 P CA 0.035 63.167 63.100 0.053 0.000 0.770 114 P CB 0.419 32.142 31.700 0.037 0.000 0.836 115 I N 2.815 123.417 120.570 0.054 0.000 2.529 115 I HA 0.179 4.351 4.170 0.004 0.000 0.284 115 I C 1.160 177.302 176.117 0.041 0.000 1.082 115 I CA 0.274 61.608 61.300 0.057 0.000 1.406 115 I CB 0.285 38.313 38.000 0.046 0.000 1.405 115 I HN 0.145 nan 8.210 nan 0.000 0.548 116 R N 6.625 127.150 120.500 0.042 0.000 2.637 116 R HA 0.503 4.845 4.340 0.004 0.000 0.291 116 R C -2.434 173.876 176.300 0.018 0.000 0.963 116 R CA -1.725 54.386 56.100 0.018 0.000 0.901 116 R CB 1.561 31.858 30.300 -0.005 0.000 1.160 116 R HN 0.373 nan 8.270 nan 0.000 0.457 117 P HA 0.254 nan 4.420 nan 0.000 0.274 117 P C -0.165 177.122 177.300 -0.023 0.000 1.237 117 P CA 0.033 63.135 63.100 0.003 0.000 0.793 117 P CB 0.959 32.666 31.700 0.011 0.000 0.977 118 G N 0.382 109.152 108.800 -0.050 0.000 2.484 118 G HA2 -0.126 3.836 3.960 0.004 0.000 0.685 118 G HA3 -0.126 3.836 3.960 0.004 0.000 0.685 118 G C 0.314 175.140 174.900 -0.123 0.000 1.294 118 G CA -0.181 44.841 45.100 -0.130 0.000 0.879 118 G HN 0.567 nan 8.290 nan 0.000 0.646 119 K N -0.003 120.256 120.400 -0.235 0.000 2.097 119 K HA -0.049 4.273 4.320 0.004 0.000 0.205 119 K C 2.667 179.248 176.600 -0.033 0.000 1.050 119 K CA 2.131 58.333 56.287 -0.141 0.000 0.938 119 K CB -0.660 31.714 32.500 -0.211 0.000 0.718 119 K HN 0.824 nan 8.250 nan 0.000 0.442 120 G N 1.196 109.976 108.800 -0.034 0.000 2.469 120 G HA2 -0.338 3.624 3.960 0.004 0.000 0.219 120 G HA3 -0.338 3.624 3.960 0.004 0.000 0.219 120 G C 1.349 176.372 174.900 0.206 0.000 1.150 120 G CA 1.314 46.466 45.100 0.086 0.000 0.763 120 G HN 0.439 nan 8.290 nan 0.000 0.561 121 E N 0.809 121.081 120.200 0.120 0.000 2.038 121 E HA -0.024 4.328 4.350 0.004 0.000 0.195 121 E C 2.765 179.491 176.600 0.211 0.000 1.000 121 E CA 1.624 58.133 56.400 0.181 0.000 0.803 121 E CB -0.595 29.167 29.700 0.104 0.000 0.750 121 E HN 0.297 nan 8.360 nan 0.000 0.448 122 A N 0.215 123.109 122.820 0.124 0.000 1.892 122 A HA -0.211 4.111 4.320 0.004 0.000 0.218 122 A C 2.134 179.791 177.584 0.122 0.000 1.188 122 A CA 1.828 53.926 52.037 0.101 0.000 0.631 122 A CB -0.855 18.185 19.000 0.067 0.000 0.822 122 A HN 0.342 nan 8.150 nan 0.000 0.447 123 L N -2.648 118.656 121.223 0.136 0.000 2.093 123 L HA -0.097 4.246 4.340 0.004 0.000 0.208 123 L C 2.159 179.097 176.870 0.113 0.000 1.085 123 L CA 1.468 56.388 54.840 0.133 0.000 0.755 123 L CB -1.099 40.948 42.059 -0.021 0.000 0.904 123 L HN 0.745 nan 8.230 nan 0.000 0.435 124 W N 0.757 121.965 121.300 -0.154 0.000 2.379 124 W HA -0.161 4.500 4.660 0.003 0.000 0.307 124 W C 2.699 179.056 176.519 -0.270 0.000 1.200 124 W CA 1.457 58.481 57.345 -0.536 0.000 1.297 124 W CB -0.114 29.149 29.460 -0.328 0.000 1.140 124 W HN -0.018 nan 8.180 nan 0.000 0.507 125 R N 0.129 120.577 120.500 -0.086 0.000 2.115 125 R HA -0.134 4.208 4.340 0.004 0.000 0.230 125 R C 2.465 178.647 176.300 -0.196 0.000 1.111 125 R CA 1.703 57.674 56.100 -0.214 0.000 0.976 125 R CB -0.841 29.450 30.300 -0.015 0.000 0.870 125 R HN 0.298 nan 8.270 nan 0.000 0.445 126 S N 0.828 116.482 115.700 -0.077 0.000 2.447 126 S HA -0.046 4.426 4.470 0.004 0.000 0.233 126 S C 1.986 176.542 174.600 -0.073 0.000 1.006 126 S CA 0.639 58.829 58.200 -0.017 0.000 0.957 126 S CB -0.292 62.990 63.200 0.136 0.000 0.773 126 S HN 0.223 nan 8.310 nan 0.000 0.507 127 L N 1.029 122.152 121.223 -0.168 0.000 2.046 127 L HA -0.015 4.327 4.340 0.004 0.000 0.208 127 L C 3.190 179.932 176.870 -0.213 0.000 1.077 127 L CA 1.304 56.026 54.840 -0.196 0.000 0.747 127 L CB -0.852 41.017 42.059 -0.317 0.000 0.896 127 L HN 0.485 nan 8.230 nan 0.000 0.432 128 A N -0.157 122.490 122.820 -0.288 0.000 1.968 128 A HA -0.015 4.307 4.320 0.004 0.000 0.217 128 A C 2.454 179.947 177.584 -0.152 0.000 1.169 128 A CA 1.431 53.326 52.037 -0.236 0.000 0.638 128 A CB -0.468 18.354 19.000 -0.298 0.000 0.812 128 A HN 0.384 nan 8.150 nan 0.000 0.446 129 A N 0.043 122.785 122.820 -0.130 0.000 2.016 129 A HA 0.240 4.562 4.320 0.004 0.000 0.217 129 A C 1.634 179.175 177.584 -0.073 0.000 1.162 129 A CA 1.061 53.047 52.037 -0.085 0.000 0.662 129 A CB -0.594 18.369 19.000 -0.063 0.000 0.812 129 A HN 0.748 nan 8.150 nan 0.000 0.450 130 S N -1.857 113.794 115.700 -0.081 0.000 2.672 130 S HA 0.593 5.066 4.470 0.004 0.000 0.276 130 S C 0.651 175.206 174.600 -0.075 0.000 1.207 130 S CA -0.738 57.416 58.200 -0.077 0.000 1.002 130 S CB 1.474 64.620 63.200 -0.090 0.000 0.998 130 S HN 0.278 nan 8.310 nan 0.000 0.542 131 R N 0.227 120.687 120.500 -0.068 0.000 2.342 131 R HA 0.260 4.602 4.340 0.004 0.000 0.204 131 R C 1.202 177.469 176.300 -0.056 0.000 0.882 131 R CA 0.542 56.607 56.100 -0.058 0.000 1.041 131 R CB -0.368 29.902 30.300 -0.050 0.000 1.188 131 R HN 0.837 nan 8.270 nan 0.000 0.598 132 G N 1.358 110.119 108.800 -0.064 0.000 2.484 132 G HA2 -0.059 3.903 3.960 0.004 0.000 0.235 132 G HA3 -0.059 3.903 3.960 0.004 0.000 0.235 132 G C 0.204 175.072 174.900 -0.053 0.000 1.282 132 G CA -0.241 44.822 45.100 -0.061 0.000 0.857 132 G HN 0.051 nan 8.290 nan 0.000 0.571 133 D N 0.384 120.758 120.400 -0.042 0.000 2.264 133 D HA -0.041 4.602 4.640 0.004 0.000 0.208 133 D C 0.883 177.169 176.300 -0.024 0.000 0.966 133 D CA 1.097 55.081 54.000 -0.026 0.000 0.864 133 D CB 0.337 41.123 40.800 -0.023 0.000 0.933 133 D HN 0.283 nan 8.370 nan 0.000 0.499 134 I N 0.725 121.267 120.570 -0.046 0.000 2.466 134 I HA 0.163 4.335 4.170 0.004 0.000 0.289 134 I C -0.737 175.319 176.117 -0.102 0.000 1.026 134 I CA -0.715 60.553 61.300 -0.053 0.000 1.078 134 I CB 2.862 40.831 38.000 -0.053 0.000 1.249 134 I HN -0.411 nan 8.210 nan 0.000 0.429 135 V N 6.967 126.798 119.914 -0.138 0.000 2.459 135 V HA 0.468 4.590 4.120 0.004 0.000 0.295 135 V C -0.205 175.638 176.094 -0.417 0.000 1.029 135 V CA -0.701 61.414 62.300 -0.308 0.000 0.874 135 V CB 2.004 33.597 31.823 -0.384 0.000 0.985 135 V HN 0.383 nan 8.190 nan 0.000 0.438 136 V N 5.103 124.740 119.914 -0.462 0.000 2.448 136 V HA 0.526 4.648 4.120 0.004 0.000 0.295 136 V C -0.737 175.049 176.094 -0.512 0.000 1.025 136 V CA -0.528 61.547 62.300 -0.374 0.000 0.859 136 V CB 1.421 33.154 31.823 -0.150 0.000 0.988 136 V HN 0.643 nan 8.190 nan 0.000 0.431 137 F N 3.599 123.407 119.950 -0.237 0.000 2.420 137 F HA 0.729 5.258 4.527 0.003 0.000 0.342 137 F C 0.091 175.820 175.800 -0.119 0.000 1.113 137 F CA -0.758 57.098 58.000 -0.239 0.000 1.059 137 F CB 1.874 40.581 39.000 -0.489 0.000 1.128 137 F HN 0.172 nan 8.300 nan 0.000 0.475 138 V N 2.818 122.829 119.914 0.162 0.000 2.686 138 V HA 0.281 4.403 4.120 0.004 0.000 0.306 138 V C -0.611 175.575 176.094 0.153 0.000 1.065 138 V CA -1.109 61.290 62.300 0.165 0.000 0.894 138 V CB 1.965 33.888 31.823 0.166 0.000 1.004 138 V HN 0.548 nan 8.190 nan 0.000 0.424 139 D N 2.091 122.575 120.400 0.141 0.000 2.382 139 D HA 0.158 4.800 4.640 0.004 0.000 0.240 139 D C 1.039 177.396 176.300 0.095 0.000 1.146 139 D CA 0.292 54.355 54.000 0.105 0.000 0.897 139 D CB 1.595 42.429 40.800 0.057 0.000 1.197 139 D HN 0.727 nan 8.370 nan 0.000 0.432 140 S N -0.395 115.357 115.700 0.086 0.000 2.557 140 S HA -0.041 4.431 4.470 0.004 0.000 0.223 140 S C 0.579 175.222 174.600 0.071 0.000 0.969 140 S CA -0.391 57.853 58.200 0.073 0.000 0.927 140 S CB 0.092 63.332 63.200 0.068 0.000 0.806 140 S HN 0.465 nan 8.310 nan 0.000 0.489 141 D N 1.236 121.685 120.400 0.083 0.000 2.388 141 D HA 0.139 4.782 4.640 0.004 0.000 0.221 141 D C 0.164 176.531 176.300 0.111 0.000 1.133 141 D CA -0.435 53.624 54.000 0.098 0.000 0.831 141 D CB -0.324 40.552 40.800 0.126 0.000 0.962 141 D HN 0.381 nan 8.370 nan 0.000 0.502 142 L N 1.203 122.480 121.223 0.090 0.000 2.361 142 L HA 0.281 4.623 4.340 0.004 0.000 0.278 142 L C 0.477 177.380 176.870 0.056 0.000 1.113 142 L CA -0.468 54.426 54.840 0.090 0.000 0.849 142 L CB 0.971 43.083 42.059 0.088 0.000 1.155 142 L HN -0.149 nan 8.230 nan 0.000 0.452 143 I N 4.517 125.122 120.570 0.058 0.000 2.363 143 I HA 0.049 4.221 4.170 0.004 0.000 0.292 143 I C 0.199 176.321 176.117 0.009 0.000 1.075 143 I CA -0.060 61.257 61.300 0.028 0.000 1.333 143 I CB -0.070 37.947 38.000 0.028 0.000 1.415 143 I HN 0.702 nan 8.210 nan 0.000 0.502 144 N N 5.186 123.874 118.700 -0.019 0.000 2.537 144 N HA -0.123 4.619 4.740 0.004 0.000 0.286 144 N C -2.514 172.933 175.510 -0.106 0.000 1.245 144 N CA -0.339 52.678 53.050 -0.053 0.000 0.704 144 N CB -0.584 37.883 38.487 -0.032 0.000 0.910 144 N HN 0.407 nan 8.380 nan 0.000 0.542 145 P HA 0.051 nan 4.420 nan 0.000 0.284 145 P C -0.787 176.189 177.300 -0.541 0.000 1.253 145 P CA -0.016 62.823 63.100 -0.435 0.000 0.800 145 P CB 0.699 32.205 31.700 -0.324 0.000 0.961 146 H N 4.406 122.883 119.070 -0.988 0.000 2.803 146 H HA 0.092 4.650 4.556 0.003 0.000 0.330 146 H C -1.509 173.534 175.328 -0.475 0.000 1.057 146 H CA -1.344 54.376 56.048 -0.546 0.000 1.458 146 H CB 0.850 30.496 29.762 -0.193 0.000 1.470 146 H HN 0.192 nan 8.280 nan 0.000 0.560 147 P HA -0.148 nan 4.420 nan 0.000 0.218 147 P C 1.350 178.570 177.300 -0.133 0.000 1.146 147 P CA 1.100 64.056 63.100 -0.240 0.000 0.813 147 P CB 0.237 31.768 31.700 -0.281 0.000 0.778 148 M N -2.844 116.707 119.600 -0.083 0.000 2.628 148 M HA 0.069 4.551 4.480 0.004 0.000 0.232 148 M C 1.061 177.044 176.300 -0.528 0.000 1.128 148 M CA 0.347 55.325 55.300 -0.537 0.000 1.040 148 M CB -1.074 30.829 32.600 -1.161 0.000 1.608 148 M HN -0.085 nan 8.290 nan 0.000 0.507 149 F N 0.460 120.291 119.950 -0.199 0.000 2.095 149 F HA -0.190 4.338 4.527 0.002 0.000 0.298 149 F C 2.404 178.267 175.800 0.105 0.000 1.104 149 F CA 1.350 59.416 58.000 0.110 0.000 1.232 149 F CB -1.174 37.915 39.000 0.148 0.000 0.987 149 F HN -0.054 nan 8.300 nan 0.000 0.475 150 V N 0.375 120.412 119.914 0.204 0.000 2.323 150 V HA -0.175 3.947 4.120 0.004 0.000 0.244 150 V C -0.363 175.779 176.094 0.079 0.000 1.041 150 V CA 1.717 64.084 62.300 0.112 0.000 1.025 150 V CB -1.878 29.977 31.823 0.052 0.000 0.656 150 V HN 0.141 nan 8.190 nan 0.000 0.451 151 P HA -0.168 nan 4.420 nan 0.000 0.216 151 P C 1.453 178.906 177.300 0.257 0.000 1.153 151 P CA 1.604 64.730 63.100 0.043 0.000 0.858 151 P CB -0.131 31.562 31.700 -0.013 0.000 0.789 152 W N -0.715 120.748 121.300 0.272 0.000 2.388 152 W HA 0.004 4.666 4.660 0.002 0.000 0.294 152 W C 2.172 178.801 176.519 0.183 0.000 1.212 152 W CA 0.738 58.247 57.345 0.274 0.000 1.271 152 W CB -1.452 28.094 29.460 0.142 0.000 1.126 152 W HN -0.021 nan 8.180 nan 0.000 0.535 153 L N 0.130 121.551 121.223 0.331 0.000 2.109 153 L HA -0.159 4.183 4.340 0.004 0.000 0.207 153 L C 2.366 179.323 176.870 0.144 0.000 1.086 153 L CA 1.167 56.129 54.840 0.203 0.000 0.760 153 L CB -1.034 41.114 42.059 0.149 0.000 0.910 153 L HN -0.166 nan 8.230 nan 0.000 0.437 154 V N -3.475 116.499 119.914 0.100 0.000 2.871 154 V HA 0.098 4.220 4.120 0.004 0.000 0.256 154 V C 2.322 178.408 176.094 -0.012 0.000 1.082 154 V CA 1.135 63.445 62.300 0.016 0.000 1.105 154 V CB -1.368 30.429 31.823 -0.043 0.000 0.713 154 V HN 0.332 nan 8.190 nan 0.000 0.473 155 G N 1.671 110.494 108.800 0.038 0.000 2.599 155 G HA2 -0.232 3.730 3.960 0.004 0.000 0.219 155 G HA3 -0.232 3.730 3.960 0.004 0.000 0.219 155 G C 0.006 174.954 174.900 0.080 0.000 1.193 155 G CA 1.614 46.723 45.100 0.015 0.000 0.778 155 G HN 0.632 nan 8.290 nan 0.000 0.589 156 P HA 0.071 nan 4.420 nan 0.000 0.226 156 P C 1.811 179.130 177.300 0.032 0.000 1.153 156 P CA 0.548 63.712 63.100 0.107 0.000 0.777 156 P CB -0.027 31.742 31.700 0.115 0.000 0.794 157 L N -1.653 119.572 121.223 0.004 0.000 2.162 157 L HA -0.008 4.335 4.340 0.004 0.000 0.205 157 L C 2.252 179.081 176.870 -0.068 0.000 1.086 157 L CA 0.851 55.665 54.840 -0.043 0.000 0.778 157 L CB -0.753 41.284 42.059 -0.037 0.000 0.928 157 L HN -0.078 nan 8.230 nan 0.000 0.446 158 L N -0.826 120.350 121.223 -0.079 0.000 2.217 158 L HA -0.023 4.319 4.340 0.004 0.000 0.211 158 L C 0.703 177.527 176.870 -0.076 0.000 1.107 158 L CA 0.428 55.208 54.840 -0.100 0.000 0.783 158 L CB -0.800 41.163 42.059 -0.160 0.000 0.919 158 L HN 0.146 nan 8.230 nan 0.000 0.442 159 T N 1.211 115.737 114.554 -0.047 0.000 2.779 159 T HA 0.299 4.651 4.350 0.004 0.000 0.296 159 T C 0.642 175.333 174.700 -0.015 0.000 0.938 159 T CA -0.325 61.769 62.100 -0.010 0.000 1.119 159 T CB 1.095 69.990 68.868 0.045 0.000 0.891 159 T HN 0.298 nan 8.240 nan 0.000 0.526 160 G N 2.413 111.204 108.800 -0.015 0.000 2.360 160 G HA2 0.402 4.364 3.960 0.004 0.000 0.279 160 G HA3 0.402 4.364 3.960 0.004 0.000 0.279 160 G C 0.464 175.358 174.900 -0.009 0.000 1.189 160 G CA -0.669 44.419 45.100 -0.021 0.000 0.941 160 G HN 0.855 nan 8.290 nan 0.000 0.445 161 D N 0.206 120.595 120.400 -0.018 0.000 2.184 161 D HA 0.069 4.711 4.640 0.004 0.000 0.508 161 D C 1.125 177.421 176.300 -0.007 0.000 0.947 161 D CA 0.714 54.710 54.000 -0.006 0.000 1.032 161 D CB -0.355 40.447 40.800 0.002 0.000 1.460 161 D HN 1.409 nan 8.370 nan 0.000 0.467 162 G N 0.656 109.438 108.800 -0.030 0.000 2.237 162 G HA2 -0.013 3.949 3.960 0.004 0.000 0.153 162 G HA3 -0.013 3.949 3.960 0.004 0.000 0.153 162 G C -0.459 174.444 174.900 0.005 0.000 1.039 162 G CA -0.095 45.001 45.100 -0.006 0.000 0.719 162 G HN 0.374 nan 8.290 nan 0.000 0.491 163 V N 1.296 121.160 119.914 -0.084 0.000 2.394 163 V HA 0.513 4.636 4.120 0.004 0.000 0.282 163 V C 0.998 177.004 176.094 -0.147 0.000 1.031 163 V CA -0.580 61.696 62.300 -0.041 0.000 0.881 163 V CB 1.438 33.250 31.823 -0.019 0.000 0.982 163 V HN 0.432 nan 8.190 nan 0.000 0.451 164 H N 3.673 122.766 119.070 0.038 0.000 3.017 164 H HA 0.318 4.876 4.556 0.003 0.000 0.255 164 H C -0.209 175.168 175.328 0.082 0.000 0.990 164 H CA 0.079 56.159 56.048 0.054 0.000 1.205 164 H CB 1.682 31.475 29.762 0.050 0.000 1.460 164 H HN 0.386 nan 8.280 nan 0.000 0.478 165 L N 1.717 123.051 121.223 0.185 0.000 2.406 165 L HA 0.410 4.752 4.340 0.004 0.000 0.272 165 L C -1.283 175.672 176.870 0.142 0.000 0.980 165 L CA -0.714 54.232 54.840 0.176 0.000 0.831 165 L CB 1.835 43.993 42.059 0.165 0.000 1.253 165 L HN -0.274 nan 8.230 nan 0.000 0.406 166 V N 5.430 125.446 119.914 0.170 0.000 2.347 166 V HA 0.556 4.678 4.120 0.004 0.000 0.280 166 V C -0.084 176.130 176.094 0.199 0.000 1.021 166 V CA -0.741 61.653 62.300 0.157 0.000 0.847 166 V CB 1.182 33.092 31.823 0.145 0.000 0.990 166 V HN 0.604 nan 8.190 nan 0.000 0.444 167 K N 2.851 123.344 120.400 0.155 0.000 2.138 167 K HA 0.590 4.912 4.320 0.004 0.000 0.263 167 K C 0.142 176.844 176.600 0.170 0.000 0.965 167 K CA -0.221 56.156 56.287 0.150 0.000 0.868 167 K CB 2.104 34.649 32.500 0.075 0.000 1.083 167 K HN 0.783 nan 8.250 nan 0.000 0.443 168 S N 1.593 117.389 115.700 0.161 0.000 2.565 168 S HA 0.743 5.215 4.470 0.004 0.000 0.290 168 S C -0.266 174.422 174.600 0.146 0.000 1.150 168 S CA -0.803 57.455 58.200 0.095 0.000 1.058 168 S CB 0.418 63.646 63.200 0.047 0.000 1.032 168 S HN 0.412 nan 8.310 nan 0.000 0.510 169 F N 0.076 120.022 119.950 -0.006 0.000 2.546 169 F HA 0.880 5.408 4.527 0.002 0.000 0.320 169 F C -0.702 175.068 175.800 -0.050 0.000 1.076 169 F CA -1.541 56.383 58.000 -0.128 0.000 0.928 169 F CB 0.622 39.560 39.000 -0.103 0.000 1.189 169 F HN 0.787 nan 8.300 nan 0.000 0.465 170 Y N -0.081 120.310 120.300 0.152 0.000 2.705 170 Y HA 0.864 5.416 4.550 0.002 0.000 0.332 170 Y C -1.152 174.823 175.900 0.125 0.000 1.157 170 Y CA -1.694 56.448 58.100 0.071 0.000 1.091 170 Y CB 1.263 39.765 38.460 0.071 0.000 1.301 170 Y HN 0.816 nan 8.280 nan 0.000 0.488 171 R N 0.668 121.399 120.500 0.385 0.000 2.628 171 R HA 0.739 5.081 4.340 0.004 0.000 0.288 171 R C -0.847 175.609 176.300 0.261 0.000 0.980 171 R CA -0.485 55.771 56.100 0.260 0.000 0.891 171 R CB 1.433 31.823 30.300 0.150 0.000 1.188 171 R HN 1.143 nan 8.270 nan 0.000 0.450 172 R N 3.894 124.524 120.500 0.217 0.000 2.537 172 R HA 0.356 4.698 4.340 0.004 0.000 0.280 172 R C -2.162 174.198 176.300 0.101 0.000 1.058 172 R CA -1.020 55.171 56.100 0.152 0.000 1.057 172 R CB -1.027 29.347 30.300 0.123 0.000 0.973 172 R HN 0.684 nan 8.270 nan 0.000 0.438 173 P HA 0.594 nan 4.420 nan 0.000 0.278 173 P C -0.847 176.479 177.300 0.044 0.000 1.266 173 P CA -0.657 62.480 63.100 0.062 0.000 0.807 173 P CB 0.697 32.431 31.700 0.056 0.000 1.094 189 G N 1.139 110.051 108.800 0.187 0.000 2.677 189 G HA2 -0.424 3.538 3.960 0.004 0.000 0.321 189 G HA3 -0.424 3.538 3.960 0.004 0.000 0.321 189 G C 1.316 176.251 174.900 0.059 0.000 1.181 189 G CA 1.765 46.936 45.100 0.119 0.000 0.965 189 G HN 0.825 nan 8.290 nan 0.000 0.548 190 R N 0.038 120.555 120.500 0.030 0.000 2.066 190 R HA 0.188 4.530 4.340 0.004 0.000 0.232 190 R C 2.791 179.090 176.300 -0.002 0.000 1.131 190 R CA 1.622 57.727 56.100 0.009 0.000 0.955 190 R CB -0.736 29.563 30.300 -0.001 0.000 0.851 190 R HN 0.369 nan 8.270 nan 0.000 0.432 191 V N 0.964 120.871 119.914 -0.011 0.000 2.392 191 V HA -0.273 3.849 4.120 0.004 0.000 0.249 191 V C 2.108 178.191 176.094 -0.019 0.000 1.059 191 V CA 2.246 64.530 62.300 -0.027 0.000 1.051 191 V CB -0.695 31.097 31.823 -0.052 0.000 0.658 191 V HN 0.438 nan 8.190 nan 0.000 0.455 192 T N -0.432 114.121 114.554 -0.001 0.000 2.652 192 T HA -0.188 4.164 4.350 0.004 0.000 0.267 192 T C 1.878 176.566 174.700 -0.019 0.000 1.039 192 T CA 1.604 63.699 62.100 -0.007 0.000 1.153 192 T CB -0.249 68.625 68.868 0.010 0.000 0.863 192 T HN 0.454 nan 8.240 nan 0.000 0.428 193 E N 0.662 120.855 120.200 -0.011 0.000 2.216 193 E HA 0.092 4.444 4.350 0.004 0.000 0.192 193 E C 2.131 178.720 176.600 -0.018 0.000 0.988 193 E CA 0.602 56.992 56.400 -0.017 0.000 0.834 193 E CB -0.055 29.640 29.700 -0.009 0.000 0.772 193 E HN 0.484 nan 8.360 nan 0.000 0.479 194 L N -0.706 120.507 121.223 -0.017 0.000 2.425 194 L HA 0.074 4.416 4.340 0.004 0.000 0.215 194 L C 2.022 178.879 176.870 -0.022 0.000 1.065 194 L CA 0.191 55.021 54.840 -0.017 0.000 0.842 194 L CB 0.212 42.263 42.059 -0.013 0.000 1.033 194 L HN -0.088 nan 8.230 nan 0.000 0.474 195 V N -0.356 119.543 119.914 -0.026 0.000 2.635 195 V HA 0.171 4.293 4.120 0.004 0.000 0.233 195 V C 2.505 178.578 176.094 -0.034 0.000 1.097 195 V CA 1.186 63.469 62.300 -0.029 0.000 1.134 195 V CB -0.460 31.343 31.823 -0.034 0.000 0.841 195 V HN 0.249 nan 8.190 nan 0.000 0.496 196 A N 0.473 123.270 122.820 -0.037 0.000 1.865 196 A HA -0.212 4.110 4.320 0.004 0.000 0.217 196 A C 2.327 179.881 177.584 -0.051 0.000 1.191 196 A CA 2.074 54.084 52.037 -0.045 0.000 0.623 196 A CB -0.557 18.416 19.000 -0.045 0.000 0.826 196 A HN 0.479 nan 8.150 nan 0.000 0.444 197 R N -0.591 119.879 120.500 -0.049 0.000 2.066 197 R HA -0.073 4.269 4.340 0.004 0.000 0.232 197 R C -0.518 175.751 176.300 -0.051 0.000 1.131 197 R CA 1.602 57.669 56.100 -0.054 0.000 0.955 197 R CB -1.471 28.799 30.300 -0.050 0.000 0.851 197 R HN 0.411 nan 8.270 nan 0.000 0.432 198 P HA -0.134 nan 4.420 nan 0.000 0.217 198 P C 1.240 178.517 177.300 -0.039 0.000 1.150 198 P CA 0.799 63.877 63.100 -0.036 0.000 0.832 198 P CB 0.041 31.724 31.700 -0.028 0.000 0.787 199 L N -0.989 120.211 121.223 -0.039 0.000 2.093 199 L HA -0.100 4.242 4.340 0.004 0.000 0.208 199 L C 2.232 179.073 176.870 -0.049 0.000 1.085 199 L CA 1.613 56.430 54.840 -0.039 0.000 0.755 199 L CB -1.398 40.640 42.059 -0.036 0.000 0.904 199 L HN -0.118 nan 8.230 nan 0.000 0.435 200 L N -0.989 120.196 121.223 -0.063 0.000 2.012 200 L HA -0.232 4.110 4.340 0.004 0.000 0.210 200 L C 2.622 179.440 176.870 -0.088 0.000 1.073 200 L CA 1.340 56.127 54.840 -0.087 0.000 0.748 200 L CB -0.863 41.131 42.059 -0.107 0.000 0.891 200 L HN 0.343 nan 8.230 nan 0.000 0.431 201 A N -0.208 122.568 122.820 -0.073 0.000 1.978 201 A HA -0.204 4.118 4.320 0.004 0.000 0.220 201 A C 2.458 180.012 177.584 -0.050 0.000 1.170 201 A CA 1.883 53.882 52.037 -0.063 0.000 0.636 201 A CB -0.624 18.346 19.000 -0.049 0.000 0.810 201 A HN 0.452 nan 8.150 nan 0.000 0.448 202 A N -0.993 121.801 122.820 -0.043 0.000 1.930 202 A HA 0.214 4.536 4.320 0.004 0.000 0.215 202 A C 2.081 179.647 177.584 -0.030 0.000 1.176 202 A CA 1.391 53.409 52.037 -0.032 0.000 0.632 202 A CB -0.274 18.710 19.000 -0.026 0.000 0.819 202 A HN 0.449 nan 8.150 nan 0.000 0.445 203 L N -2.314 118.887 121.223 -0.037 0.000 2.445 203 L HA 0.228 4.570 4.340 0.004 0.000 0.207 203 L C 0.616 177.468 176.870 -0.030 0.000 1.053 203 L CA 0.088 54.911 54.840 -0.027 0.000 0.841 203 L CB 0.137 42.181 42.059 -0.024 0.000 1.074 203 L HN 0.039 nan 8.230 nan 0.000 0.479 204 R N 0.821 121.279 120.500 -0.070 0.000 2.564 204 R HA 0.236 4.578 4.340 0.004 0.000 0.282 204 R C -1.993 174.193 176.300 -0.189 0.000 1.573 204 R CA -1.698 54.329 56.100 -0.121 0.000 1.588 204 R CB 0.632 30.821 30.300 -0.184 0.000 1.154 204 R HN -0.008 nan 8.270 nan 0.000 0.606 205 P HA -0.141 nan 4.420 nan 0.000 0.219 205 P C 0.363 177.568 177.300 -0.157 0.000 1.146 205 P CA 1.140 64.174 63.100 -0.110 0.000 0.808 205 P CB 0.587 32.252 31.700 -0.058 0.000 0.779 206 E N 0.186 120.251 120.200 -0.226 0.000 2.153 206 E HA -0.079 4.273 4.350 0.004 0.000 0.194 206 E C 1.730 178.117 176.600 -0.356 0.000 0.988 206 E CA 0.757 56.998 56.400 -0.265 0.000 0.811 206 E CB -0.968 28.578 29.700 -0.256 0.000 0.746 206 E HN 0.313 nan 8.360 nan 0.000 0.466 207 L N 0.129 121.078 121.223 -0.456 0.000 2.660 207 L HA 0.175 4.517 4.340 0.004 0.000 0.238 207 L C 1.837 178.581 176.870 -0.210 0.000 1.161 207 L CA 0.053 54.672 54.840 -0.368 0.000 0.937 207 L CB -0.188 41.625 42.059 -0.410 0.000 1.122 207 L HN 0.176 nan 8.230 nan 0.000 0.435 208 G N 0.060 108.761 108.800 -0.165 0.000 2.509 208 G HA2 -0.216 3.746 3.960 0.004 0.000 0.218 208 G HA3 -0.216 3.746 3.960 0.004 0.000 0.218 208 G C 1.511 176.376 174.900 -0.057 0.000 1.124 208 G CA 0.753 45.795 45.100 -0.098 0.000 0.776 208 G HN 0.659 nan 8.290 nan 0.000 0.547 209 C N 0.001 119.264 119.300 -0.062 0.000 2.562 209 C HA 0.439 4.902 4.460 0.004 0.000 0.266 209 C C 1.000 176.021 174.990 0.053 0.000 1.382 209 C CA -1.598 57.442 59.018 0.038 0.000 1.742 209 C CB -1.020 26.681 27.740 -0.065 0.000 1.812 209 C HN 0.147 nan 8.230 nan 0.000 0.559 210 I N 2.482 123.025 120.570 -0.044 0.000 2.517 210 I HA 0.108 4.280 4.170 0.004 0.000 0.285 210 I C 1.081 177.171 176.117 -0.045 0.000 1.106 210 I CA -0.259 61.019 61.300 -0.038 0.000 1.402 210 I CB 0.237 38.191 38.000 -0.076 0.000 1.399 210 I HN 0.217 nan 8.210 nan 0.000 0.535 211 L N 5.323 126.515 121.223 -0.053 0.000 2.049 211 L HA -0.044 4.298 4.340 0.004 0.000 0.203 211 L C 1.116 177.925 176.870 -0.102 0.000 1.074 211 L CA 1.431 56.209 54.840 -0.104 0.000 0.749 211 L CB -0.235 41.699 42.059 -0.208 0.000 0.907 211 L HN 0.551 nan 8.230 nan 0.000 0.439 212 Q N 0.244 119.992 119.800 -0.087 0.000 2.607 212 Q HA 0.252 4.594 4.340 0.004 0.000 0.247 212 Q C -1.870 174.095 176.000 -0.058 0.000 1.033 212 Q CA -1.597 54.130 55.803 -0.128 0.000 0.769 212 Q CB 1.121 29.663 28.738 -0.325 0.000 1.169 212 Q HN 0.161 nan 8.270 nan 0.000 0.508 213 P HA -0.084 nan 4.420 nan 0.000 0.221 213 P C 0.693 177.940 177.300 -0.089 0.000 1.150 213 P CA 0.839 63.892 63.100 -0.080 0.000 0.800 213 P CB 0.437 32.088 31.700 -0.083 0.000 0.787 214 L N -0.699 120.499 121.223 -0.042 0.000 2.848 214 L HA 0.351 4.693 4.340 0.004 0.000 0.240 214 L C 1.134 178.032 176.870 0.046 0.000 1.232 214 L CA -0.644 54.184 54.840 -0.020 0.000 1.031 214 L CB -0.395 41.666 42.059 0.003 0.000 1.338 214 L HN -0.130 nan 8.230 nan 0.000 0.509 215 G N -0.170 108.670 108.800 0.065 0.000 2.361 215 G HA2 0.287 4.249 3.960 0.004 0.000 0.260 215 G HA3 0.287 4.249 3.960 0.004 0.000 0.260 215 G C 1.021 176.051 174.900 0.218 0.000 1.261 215 G CA 0.066 45.294 45.100 0.214 0.000 0.897 215 G HN 0.342 nan 8.290 nan 0.000 0.499 216 G N 1.591 110.538 108.800 0.244 0.000 2.598 216 G HA2 0.040 4.002 3.960 0.004 0.000 0.215 216 G HA3 0.040 4.002 3.960 0.004 0.000 0.215 216 G C 0.481 175.636 174.900 0.424 0.000 1.131 216 G CA 0.171 45.464 45.100 0.322 0.000 0.785 216 G HN 0.558 nan 8.290 nan 0.000 0.539 217 E N 0.320 120.749 120.200 0.381 0.000 2.055 217 E HA 0.526 4.878 4.350 0.004 0.000 0.274 217 E C -0.888 175.965 176.600 0.422 0.000 0.949 217 E CA -0.597 55.983 56.400 0.301 0.000 0.775 217 E CB 0.642 30.431 29.700 0.148 0.000 1.097 217 E HN 0.508 nan 8.360 nan 0.000 0.404 218 Y N 0.386 120.798 120.300 0.186 0.000 2.713 218 Y HA 0.819 5.371 4.550 0.003 0.000 0.335 218 Y C -1.412 174.605 175.900 0.195 0.000 1.222 218 Y CA -1.817 56.389 58.100 0.177 0.000 1.061 218 Y CB 0.677 39.243 38.460 0.176 0.000 1.314 218 Y HN 0.340 nan 8.280 nan 0.000 0.453 219 A N 1.136 124.101 122.820 0.242 0.000 2.435 219 A HA 1.035 5.357 4.320 0.004 0.000 0.304 219 A C -1.285 176.408 177.584 0.183 0.000 1.064 219 A CA -0.303 51.798 52.037 0.107 0.000 0.727 219 A CB 1.344 20.381 19.000 0.062 0.000 1.284 219 A HN 1.982 nan 8.150 nan 0.000 0.415 220 A N 0.568 123.468 122.820 0.132 0.000 2.594 220 A HA 0.834 5.156 4.320 0.004 0.000 0.295 220 A C -0.039 177.616 177.584 0.118 0.000 1.071 220 A CA 0.095 52.239 52.037 0.179 0.000 0.685 220 A CB 0.760 19.934 19.000 0.291 0.000 1.285 220 A HN 2.015 nan 8.150 nan 0.000 0.405 221 T N -1.073 113.569 114.554 0.146 0.000 2.913 221 T HA 0.321 4.673 4.350 0.004 0.000 0.297 221 T C 1.092 175.876 174.700 0.140 0.000 1.029 221 T CA 0.052 62.226 62.100 0.124 0.000 1.104 221 T CB 0.913 69.882 68.868 0.169 0.000 0.964 221 T HN 0.795 nan 8.240 nan 0.000 0.532 222 R N 1.352 121.903 120.500 0.086 0.000 2.105 222 R HA -0.106 4.236 4.340 0.004 0.000 0.239 222 R C 2.771 179.126 176.300 0.092 0.000 1.135 222 R CA 2.046 58.190 56.100 0.073 0.000 0.967 222 R CB -1.092 29.223 30.300 0.026 0.000 0.861 222 R HN 0.944 nan 8.270 nan 0.000 0.442 223 E N 1.015 121.277 120.200 0.103 0.000 2.114 223 E HA -0.246 4.107 4.350 0.004 0.000 0.199 223 E C 1.719 178.363 176.600 0.074 0.000 1.008 223 E CA 1.648 58.102 56.400 0.090 0.000 0.810 223 E CB -0.828 28.947 29.700 0.124 0.000 0.739 223 E HN 0.386 nan 8.360 nan 0.000 0.456 224 L N -0.417 120.875 121.223 0.114 0.000 2.034 224 L HA 0.121 4.463 4.340 0.004 0.000 0.203 224 L C 2.612 179.580 176.870 0.163 0.000 1.074 224 L CA 1.636 56.530 54.840 0.090 0.000 0.748 224 L CB -0.382 41.754 42.059 0.128 0.000 0.905 224 L HN 0.375 nan 8.230 nan 0.000 0.439 225 L N -0.302 121.056 121.223 0.225 0.000 2.079 225 L HA -0.222 4.120 4.340 0.004 0.000 0.210 225 L C 2.352 179.406 176.870 0.307 0.000 1.081 225 L CA 1.965 57.013 54.840 0.346 0.000 0.752 225 L CB -1.029 41.245 42.059 0.358 0.000 0.896 225 L HN 0.568 nan 8.230 nan 0.000 0.433 226 T N -5.978 108.675 114.554 0.166 0.000 3.088 226 T HA 0.017 4.369 4.350 0.004 0.000 0.259 226 T C 1.691 176.468 174.700 0.129 0.000 1.122 226 T CA 0.741 62.905 62.100 0.106 0.000 1.095 226 T CB 0.174 69.063 68.868 0.036 0.000 0.930 226 T HN 0.106 nan 8.240 nan 0.000 0.508 227 S N 0.907 116.686 115.700 0.132 0.000 2.524 227 S HA 0.293 4.765 4.470 0.004 0.000 0.216 227 S C 0.804 175.481 174.600 0.128 0.000 0.987 227 S CA -0.142 58.120 58.200 0.103 0.000 0.909 227 S CB 0.106 63.339 63.200 0.055 0.000 0.781 227 S HN 0.661 nan 8.310 nan 0.000 0.521 228 V N 0.773 120.804 119.914 0.196 0.000 2.612 228 V HA 0.608 4.730 4.120 0.004 0.000 0.301 228 V C -2.846 173.430 176.094 0.303 0.000 1.046 228 V CA -2.956 59.464 62.300 0.201 0.000 0.946 228 V CB 1.101 33.026 31.823 0.169 0.000 1.003 228 V HN -0.105 nan 8.190 nan 0.000 0.459 229 P HA 0.282 nan 4.420 nan 0.000 0.272 229 P C -1.235 176.227 177.300 0.269 0.000 1.223 229 P CA 0.014 63.228 63.100 0.190 0.000 0.784 229 P CB 0.474 32.210 31.700 0.059 0.000 0.923 230 F N 0.753 120.648 119.950 -0.092 0.000 2.375 230 F HA 0.451 4.980 4.527 0.004 0.000 0.361 230 F C 0.848 176.564 175.800 -0.139 0.000 1.117 230 F CA -0.674 57.282 58.000 -0.072 0.000 1.037 230 F CB 0.883 39.883 39.000 -0.000 0.000 1.192 230 F HN 0.326 nan 8.300 nan 0.000 0.452 231 A N 6.633 129.412 122.820 -0.069 0.000 2.507 231 A HA 0.431 4.753 4.320 0.004 0.000 0.235 231 A C -2.272 175.283 177.584 -0.048 0.000 1.070 231 A CA -0.892 51.102 52.037 -0.072 0.000 0.768 231 A CB -0.520 18.424 19.000 -0.092 0.000 1.011 231 A HN 0.432 nan 8.150 nan 0.000 0.502 232 P HA 0.429 nan 4.420 nan 0.000 0.278 232 P C 0.888 178.150 177.300 -0.064 0.000 1.258 232 P CA 1.039 64.106 63.100 -0.054 0.000 0.811 232 P CB 0.727 32.394 31.700 -0.055 0.000 1.063 233 G N 1.082 109.820 108.800 -0.103 0.000 2.594 233 G HA2 -0.328 3.634 3.960 0.004 0.000 0.297 233 G HA3 -0.328 3.634 3.960 0.004 0.000 0.297 233 G C 0.275 175.029 174.900 -0.243 0.000 1.273 233 G CA 0.479 45.453 45.100 -0.209 0.000 0.974 233 G HN 0.519 nan 8.290 nan 0.000 0.552 234 Y N 2.093 122.383 120.300 -0.017 0.000 2.502 234 Y HA 0.308 4.861 4.550 0.005 0.000 0.295 234 Y C 2.625 178.498 175.900 -0.046 0.000 1.193 234 Y CA 0.664 58.748 58.100 -0.027 0.000 1.295 234 Y CB -0.004 38.435 38.460 -0.034 0.000 1.059 234 Y HN 0.575 nan 8.280 nan 0.000 0.514 235 G N -0.904 107.922 108.800 0.043 0.000 2.880 235 G HA2 -0.117 3.845 3.960 0.004 0.000 0.209 235 G HA3 -0.117 3.845 3.960 0.004 0.000 0.209 235 G C 1.677 176.541 174.900 -0.060 0.000 1.157 235 G CA 0.602 45.698 45.100 -0.007 0.000 0.779 235 G HN 0.355 nan 8.290 nan 0.000 0.539 236 V N 0.586 120.457 119.914 -0.071 0.000 2.287 236 V HA -0.199 3.923 4.120 0.004 0.000 0.248 236 V C 2.635 178.603 176.094 -0.210 0.000 1.053 236 V CA 2.948 65.155 62.300 -0.155 0.000 1.027 236 V CB -0.170 31.587 31.823 -0.110 0.000 0.646 236 V HN 0.395 nan 8.190 nan 0.000 0.447 237 E N 0.042 120.152 120.200 -0.151 0.000 2.017 237 E HA -0.181 4.171 4.350 0.004 0.000 0.193 237 E C 1.959 178.426 176.600 -0.222 0.000 0.997 237 E CA 2.025 58.277 56.400 -0.246 0.000 0.804 237 E CB -0.461 29.102 29.700 -0.228 0.000 0.757 237 E HN 0.716 nan 8.360 nan 0.000 0.448 238 I N 0.144 120.627 120.570 -0.144 0.000 2.286 238 I HA -0.162 4.010 4.170 0.004 0.000 0.248 238 I C 2.030 178.082 176.117 -0.109 0.000 1.115 238 I CA 1.532 62.762 61.300 -0.116 0.000 1.392 238 I CB -0.309 37.643 38.000 -0.080 0.000 1.065 238 I HN 0.190 nan 8.210 nan 0.000 0.418 239 G N 0.621 109.350 108.800 -0.118 0.000 2.446 239 G HA2 -0.301 3.661 3.960 0.004 0.000 0.217 239 G HA3 -0.301 3.661 3.960 0.004 0.000 0.217 239 G C 1.603 176.428 174.900 -0.125 0.000 1.168 239 G CA 1.069 46.101 45.100 -0.113 0.000 0.771 239 G HN 0.391 nan 8.290 nan 0.000 0.551 240 L N -0.074 121.035 121.223 -0.190 0.000 1.989 240 L HA 0.005 4.347 4.340 0.004 0.000 0.211 240 L C 2.640 179.463 176.870 -0.078 0.000 1.071 240 L CA 1.569 56.309 54.840 -0.167 0.000 0.749 240 L CB -0.504 41.425 42.059 -0.217 0.000 0.890 240 L HN 0.223 nan 8.230 nan 0.000 0.431 241 L N -1.251 119.912 121.223 -0.100 0.000 2.013 241 L HA -0.217 4.125 4.340 0.004 0.000 0.212 241 L C 2.346 179.222 176.870 0.011 0.000 1.073 241 L CA 2.040 56.846 54.840 -0.058 0.000 0.753 241 L CB -0.640 41.358 42.059 -0.102 0.000 0.890 241 L HN 0.131 nan 8.230 nan 0.000 0.432 242 V N -0.373 119.542 119.914 0.001 0.000 2.307 242 V HA -0.264 3.858 4.120 0.004 0.000 0.245 242 V C 2.302 178.455 176.094 0.099 0.000 1.045 242 V CA 1.891 64.231 62.300 0.067 0.000 1.024 242 V CB -0.863 30.974 31.823 0.023 0.000 0.651 242 V HN 0.455 nan 8.190 nan 0.000 0.449 243 D N 0.222 120.642 120.400 0.034 0.000 2.123 243 D HA -0.149 4.493 4.640 0.004 0.000 0.196 243 D C 2.277 178.595 176.300 0.031 0.000 0.992 243 D CA 2.036 56.050 54.000 0.024 0.000 0.833 243 D CB -0.342 40.460 40.800 0.004 0.000 0.954 243 D HN 0.438 nan 8.370 nan 0.000 0.455 244 T N 0.738 115.321 114.554 0.048 0.000 2.674 244 T HA -0.176 4.176 4.350 0.004 0.000 0.265 244 T C 1.763 176.500 174.700 0.062 0.000 1.039 244 T CA 0.916 63.048 62.100 0.054 0.000 1.150 244 T CB -0.587 68.327 68.868 0.076 0.000 0.864 244 T HN 0.143 nan 8.240 nan 0.000 0.427 245 F N 2.545 122.474 119.950 -0.035 0.000 2.134 245 F HA -0.134 4.396 4.527 0.004 0.000 0.299 245 F C 1.855 177.632 175.800 -0.038 0.000 1.097 245 F CA 1.364 59.339 58.000 -0.041 0.000 1.264 245 F CB -0.431 38.538 39.000 -0.051 0.000 1.001 245 F HN 0.029 nan 8.300 nan 0.000 0.479 246 D N 0.072 120.383 120.400 -0.148 0.000 2.144 246 D HA -0.120 4.522 4.640 0.004 0.000 0.199 246 D C 2.399 178.560 176.300 -0.232 0.000 0.984 246 D CA 1.265 55.121 54.000 -0.241 0.000 0.834 246 D CB -0.228 40.546 40.800 -0.043 0.000 0.955 246 D HN 0.401 nan 8.370 nan 0.000 0.465 247 R N -0.355 120.057 120.500 -0.148 0.000 2.075 247 R HA 0.202 4.544 4.340 0.004 0.000 0.220 247 R C 2.132 178.348 176.300 -0.140 0.000 1.118 247 R CA 0.406 56.433 56.100 -0.120 0.000 0.986 247 R CB 0.038 30.293 30.300 -0.074 0.000 0.884 247 R HN 0.155 nan 8.270 nan 0.000 0.439 248 L N -0.166 120.976 121.223 -0.135 0.000 2.616 248 L HA 0.276 4.618 4.340 0.004 0.000 0.229 248 L C 0.726 177.523 176.870 -0.123 0.000 1.110 248 L CA 0.044 54.818 54.840 -0.110 0.000 0.884 248 L CB 0.430 42.443 42.059 -0.077 0.000 1.115 248 L HN 0.354 nan 8.230 nan 0.000 0.481 249 G N 0.334 108.995 108.800 -0.233 0.000 2.828 249 G HA2 -0.305 3.657 3.960 0.004 0.000 0.463 249 G HA3 -0.305 3.657 3.960 0.004 0.000 0.463 249 G C 0.050 174.930 174.900 -0.034 0.000 1.394 249 G CA -0.145 44.790 45.100 -0.274 0.000 0.862 249 G HN 0.010 nan 8.290 nan 0.000 0.540 250 L N -0.015 121.265 121.223 0.096 0.000 2.275 250 L HA 0.143 4.485 4.340 0.004 0.000 0.215 250 L C 2.218 179.097 176.870 0.015 0.000 1.119 250 L CA 2.759 57.695 54.840 0.160 0.000 0.790 250 L CB -0.416 41.727 42.059 0.139 0.000 0.919 250 L HN 0.605 nan 8.230 nan 0.000 0.443 251 D N -0.447 119.947 120.400 -0.009 0.000 2.310 251 D HA -0.063 4.579 4.640 0.004 0.000 0.212 251 D C 1.946 178.246 176.300 -0.001 0.000 0.965 251 D CA 1.051 55.035 54.000 -0.028 0.000 0.879 251 D CB -0.036 40.749 40.800 -0.025 0.000 0.921 251 D HN 0.430 nan 8.370 nan 0.000 0.510 252 A N -0.066 122.774 122.820 0.034 0.000 2.275 252 A HA 0.236 4.558 4.320 0.004 0.000 0.212 252 A C 0.635 178.265 177.584 0.077 0.000 1.201 252 A CA -0.099 51.990 52.037 0.087 0.000 0.843 252 A CB -0.041 19.039 19.000 0.134 0.000 0.873 252 A HN 0.128 nan 8.150 nan 0.000 0.492 253 I N 0.495 121.086 120.570 0.035 0.000 2.378 253 I HA 0.586 4.758 4.170 0.004 0.000 0.291 253 I C 0.177 176.275 176.117 -0.033 0.000 0.992 253 I CA -0.488 60.826 61.300 0.023 0.000 1.154 253 I CB 1.844 39.858 38.000 0.023 0.000 1.315 253 I HN 0.124 nan 8.210 nan 0.000 0.448 254 A N 5.888 128.709 122.820 0.001 0.000 2.384 254 A HA 0.776 5.098 4.320 0.004 0.000 0.312 254 A C -0.955 176.661 177.584 0.053 0.000 1.113 254 A CA -0.618 51.411 52.037 -0.013 0.000 0.779 254 A CB 1.707 20.716 19.000 0.015 0.000 1.307 254 A HN 0.706 nan 8.150 nan 0.000 0.436 255 Q N 0.100 119.954 119.800 0.091 0.000 2.353 255 Q HA 0.625 4.967 4.340 0.004 0.000 0.268 255 Q C -1.538 174.641 176.000 0.298 0.000 1.045 255 Q CA -0.728 55.221 55.803 0.243 0.000 0.811 255 Q CB 2.645 31.598 28.738 0.358 0.000 1.305 255 Q HN 0.481 nan 8.270 nan 0.000 0.447 256 V N 2.453 122.492 119.914 0.209 0.000 2.588 256 V HA 0.259 4.381 4.120 0.004 0.000 0.304 256 V C -0.362 175.428 176.094 -0.506 0.000 1.042 256 V CA -0.971 61.334 62.300 0.007 0.000 0.877 256 V CB 2.034 33.877 31.823 0.033 0.000 0.996 256 V HN 0.690 nan 8.190 nan 0.000 0.425 257 N N 3.563 121.795 118.700 -0.781 0.000 2.475 257 N HA 0.266 5.009 4.740 0.004 0.000 0.267 257 N C 0.475 175.495 175.510 -0.817 0.000 1.169 257 N CA 0.157 52.470 53.050 -1.227 0.000 0.947 257 N CB 1.316 39.331 38.487 -0.786 0.000 1.061 257 N HN 0.659 nan 8.380 nan 0.000 0.466 258 L N 2.257 123.101 121.223 -0.632 0.000 2.425 258 L HA 0.282 4.624 4.340 0.004 0.000 0.215 258 L C 1.650 178.418 176.870 -0.171 0.000 1.065 258 L CA 0.512 55.105 54.840 -0.411 0.000 0.842 258 L CB -0.296 41.473 42.059 -0.484 0.000 1.033 258 L HN 0.806 nan 8.230 nan 0.000 0.474 259 G N 0.174 108.892 108.800 -0.135 0.000 2.979 259 G HA2 -0.230 3.733 3.960 0.004 0.000 0.238 259 G HA3 -0.230 3.733 3.960 0.004 0.000 0.238 259 G C -0.250 174.728 174.900 0.131 0.000 1.805 259 G CA -0.177 44.918 45.100 -0.008 0.000 1.389 259 G HN -0.073 nan 8.290 nan 0.000 0.517 260 V N 2.335 122.376 119.914 0.211 0.000 2.448 260 V HA 0.871 4.993 4.120 0.004 0.000 0.295 260 V C 0.624 176.873 176.094 0.257 0.000 1.025 260 V CA 0.364 62.790 62.300 0.210 0.000 0.859 260 V CB 0.836 32.754 31.823 0.158 0.000 0.988 260 V HN 1.363 nan 8.190 nan 0.000 0.431 261 R N 2.885 123.489 120.500 0.174 0.000 2.740 261 R HA 0.933 5.275 4.340 0.004 0.000 0.282 261 R C -0.686 175.640 176.300 0.043 0.000 0.969 261 R CA -0.825 55.313 56.100 0.064 0.000 0.918 261 R CB 1.672 31.779 30.300 -0.322 0.000 1.175 261 R HN 0.849 nan 8.270 nan 0.000 0.464 262 E N 0.619 120.866 120.200 0.078 0.000 2.347 262 E HA 0.434 4.786 4.350 0.004 0.000 0.285 262 E C -1.284 175.409 176.600 0.156 0.000 0.925 262 E CA -0.368 56.081 56.400 0.081 0.000 0.779 262 E CB 1.503 31.230 29.700 0.045 0.000 1.233 262 E HN 0.995 nan 8.360 nan 0.000 0.414 263 H N -0.286 118.772 119.070 -0.020 0.000 3.956 263 H HA 0.723 5.283 4.556 0.007 0.000 0.368 263 H C -0.235 175.096 175.328 0.005 0.000 1.624 263 H CA -0.746 55.300 56.048 -0.003 0.000 1.102 263 H CB 0.193 29.953 29.762 -0.003 0.000 1.471 263 H HN 0.435 nan 8.280 nan 0.000 0.741 264 R N -0.236 120.280 120.500 0.027 0.000 2.442 264 R HA 0.436 4.778 4.340 0.004 0.000 0.291 264 R C 0.171 176.376 176.300 -0.158 0.000 1.069 264 R CA 0.144 56.228 56.100 -0.026 0.000 1.022 264 R CB -1.842 28.503 30.300 0.075 0.000 0.976 264 R HN 0.999 nan 8.270 nan 0.000 0.443 265 N N 1.261 119.892 118.700 -0.117 0.000 2.448 265 N HA 0.490 5.232 4.740 0.004 0.000 0.250 265 N C 0.505 175.982 175.510 -0.056 0.000 1.136 265 N CA 0.231 53.214 53.050 -0.112 0.000 0.953 265 N CB 0.227 38.669 38.487 -0.075 0.000 1.251 265 N HN 1.200 nan 8.380 nan 0.000 0.502 266 R N 2.727 123.192 120.500 -0.058 0.000 2.389 266 R HA 0.526 4.868 4.340 0.004 0.000 0.295 266 R C -2.041 174.246 176.300 -0.023 0.000 1.075 266 R CA -1.281 54.801 56.100 -0.031 0.000 1.005 266 R CB -0.593 29.675 30.300 -0.054 0.000 0.987 266 R HN 0.740 nan 8.270 nan 0.000 0.452 267 P HA 0.201 nan 4.420 nan 0.000 0.272 267 P C 1.472 178.781 177.300 0.015 0.000 1.230 267 P CA 0.227 63.340 63.100 0.021 0.000 0.788 267 P CB 0.444 32.176 31.700 0.054 0.000 0.949 268 L N 1.508 122.748 121.223 0.027 0.000 2.129 268 L HA -0.193 4.150 4.340 0.004 0.000 0.212 268 L C 2.617 179.510 176.870 0.039 0.000 1.087 268 L CA 2.959 57.813 54.840 0.023 0.000 0.757 268 L CB -2.387 39.697 42.059 0.041 0.000 0.896 268 L HN 0.624 nan 8.230 nan 0.000 0.434 269 A N -1.171 121.716 122.820 0.112 0.000 1.877 269 A HA -0.259 4.063 4.320 0.004 0.000 0.216 269 A C 2.238 179.864 177.584 0.069 0.000 1.186 269 A CA 1.558 53.748 52.037 0.255 0.000 0.620 269 A CB -0.670 18.570 19.000 0.400 0.000 0.822 269 A HN 0.733 nan 8.150 nan 0.000 0.443 270 E N -0.380 119.788 120.200 -0.052 0.000 2.077 270 E HA -0.170 4.182 4.350 0.004 0.000 0.193 270 E C 1.973 178.288 176.600 -0.475 0.000 0.989 270 E CA 1.231 57.380 56.400 -0.418 0.000 0.800 270 E CB -0.296 29.311 29.700 -0.156 0.000 0.746 270 E HN 0.637 nan 8.360 nan 0.000 0.452 271 L N 0.107 121.174 121.223 -0.260 0.000 2.131 271 L HA -0.123 4.219 4.340 0.004 0.000 0.210 271 L C 2.530 179.260 176.870 -0.233 0.000 1.092 271 L CA 1.118 55.825 54.840 -0.221 0.000 0.759 271 L CB -0.573 41.414 42.059 -0.119 0.000 0.903 271 L HN 0.209 nan 8.230 nan 0.000 0.435 272 G N -0.353 108.308 108.800 -0.232 0.000 2.421 272 G HA2 -0.258 3.704 3.960 0.004 0.000 0.216 272 G HA3 -0.258 3.704 3.960 0.004 0.000 0.216 272 G C 1.787 176.496 174.900 -0.318 0.000 1.171 272 G CA 0.824 45.807 45.100 -0.195 0.000 0.775 272 G HN 0.461 nan 8.290 nan 0.000 0.543 273 A N 0.581 122.989 122.820 -0.687 0.000 1.877 273 A HA -0.033 4.289 4.320 0.004 0.000 0.216 273 A C 2.387 179.773 177.584 -0.329 0.000 1.186 273 A CA 2.111 53.718 52.037 -0.717 0.000 0.620 273 A CB -0.460 17.675 19.000 -1.441 0.000 0.822 273 A HN 0.437 nan 8.150 nan 0.000 0.443 274 M N -0.101 119.300 119.600 -0.331 0.000 2.080 274 M HA -0.162 4.320 4.480 0.004 0.000 0.260 274 M C 2.172 178.402 176.300 -0.116 0.000 1.068 274 M CA 2.233 57.417 55.300 -0.192 0.000 1.109 274 M CB -0.204 32.182 32.600 -0.357 0.000 1.342 274 M HN 0.372 nan 8.290 nan 0.000 0.405 275 S N 0.366 115.984 115.700 -0.136 0.000 2.365 275 S HA -0.232 4.240 4.470 0.004 0.000 0.225 275 S C 1.806 176.370 174.600 -0.059 0.000 1.039 275 S CA 1.864 60.013 58.200 -0.085 0.000 1.033 275 S CB -0.575 62.577 63.200 -0.080 0.000 0.887 275 S HN 0.491 nan 8.310 nan 0.000 0.447 276 R N 1.580 122.040 120.500 -0.066 0.000 2.091 276 R HA -0.124 4.218 4.340 0.004 0.000 0.238 276 R C 2.304 178.593 176.300 -0.018 0.000 1.136 276 R CA 1.838 57.917 56.100 -0.035 0.000 0.959 276 R CB -0.746 29.537 30.300 -0.028 0.000 0.856 276 R HN 0.324 nan 8.270 nan 0.000 0.437 277 Q N -0.417 119.376 119.800 -0.012 0.000 2.123 277 Q HA -0.010 4.332 4.340 0.004 0.000 0.199 277 Q C 1.943 177.944 176.000 0.002 0.000 0.966 277 Q CA 1.788 57.597 55.803 0.010 0.000 0.845 277 Q CB -0.172 28.596 28.738 0.050 0.000 0.907 277 Q HN 0.247 nan 8.270 nan 0.000 0.439 278 V N 0.405 120.317 119.914 -0.004 0.000 2.295 278 V HA -0.271 3.851 4.120 0.004 0.000 0.246 278 V C 2.222 178.302 176.094 -0.023 0.000 1.049 278 V CA 1.869 64.160 62.300 -0.015 0.000 1.024 278 V CB -0.548 31.261 31.823 -0.025 0.000 0.648 278 V HN 0.373 nan 8.190 nan 0.000 0.447 279 I N 0.374 120.930 120.570 -0.023 0.000 2.127 279 I HA -0.288 3.884 4.170 0.004 0.000 0.241 279 I C 2.705 178.812 176.117 -0.017 0.000 1.075 279 I CA 1.734 63.021 61.300 -0.021 0.000 1.334 279 I CB -0.676 37.313 38.000 -0.018 0.000 1.040 279 I HN 0.287 nan 8.210 nan 0.000 0.405 280 A N 0.110 122.921 122.820 -0.014 0.000 1.892 280 A HA -0.259 4.064 4.320 0.004 0.000 0.218 280 A C 2.392 179.965 177.584 -0.018 0.000 1.188 280 A CA 2.748 54.777 52.037 -0.012 0.000 0.631 280 A CB -1.263 17.733 19.000 -0.008 0.000 0.822 280 A HN 0.430 nan 8.150 nan 0.000 0.447 281 T N -0.111 114.430 114.554 -0.021 0.000 2.708 281 T HA -0.086 4.266 4.350 0.004 0.000 0.266 281 T C 1.863 176.545 174.700 -0.030 0.000 1.037 281 T CA 1.353 63.435 62.100 -0.029 0.000 1.146 281 T CB -0.333 68.513 68.868 -0.036 0.000 0.865 281 T HN 0.359 nan 8.240 nan 0.000 0.435 282 L N 0.421 121.626 121.223 -0.029 0.000 2.056 282 L HA -0.006 4.336 4.340 0.004 0.000 0.207 282 L C 2.330 179.188 176.870 -0.021 0.000 1.078 282 L CA 1.166 55.989 54.840 -0.029 0.000 0.749 282 L CB -0.269 41.770 42.059 -0.033 0.000 0.901 282 L HN 0.280 nan 8.230 nan 0.000 0.433 283 L N -0.795 120.417 121.223 -0.018 0.000 2.083 283 L HA -0.218 4.124 4.340 0.004 0.000 0.209 283 L C 2.831 179.694 176.870 -0.012 0.000 1.083 283 L CA 1.541 56.372 54.840 -0.014 0.000 0.752 283 L CB -0.626 41.426 42.059 -0.012 0.000 0.899 283 L HN 0.448 nan 8.230 nan 0.000 0.433 284 S N -0.545 115.147 115.700 -0.015 0.000 2.368 284 S HA -0.142 4.330 4.470 0.004 0.000 0.224 284 S C 2.056 176.649 174.600 -0.012 0.000 1.029 284 S CA 0.469 58.661 58.200 -0.014 0.000 0.988 284 S CB -0.310 62.878 63.200 -0.019 0.000 0.838 284 S HN 0.299 nan 8.310 nan 0.000 0.462 285 R N 0.582 121.074 120.500 -0.013 0.000 2.237 285 R HA 0.136 4.479 4.340 0.004 0.000 0.219 285 R C 1.418 177.720 176.300 0.004 0.000 1.080 285 R CA 0.647 56.743 56.100 -0.006 0.000 0.995 285 R CB -1.532 28.763 30.300 -0.008 0.000 0.875 285 R HN 0.517 nan 8.270 nan 0.000 0.462 286 C N -0.177 119.123 119.300 0.001 0.000 2.780 286 C HA 0.330 4.792 4.460 0.004 0.000 0.287 286 C C 1.266 176.257 174.990 0.002 0.000 1.288 286 C CA -0.104 58.918 59.018 0.006 0.000 1.713 286 C CB -0.639 27.103 27.740 0.003 0.000 1.955 286 C HN 0.674 nan 8.230 nan 0.000 0.613 287 G N 1.725 110.524 108.800 -0.001 0.000 2.179 287 G HA2 -0.272 3.690 3.960 0.004 0.000 0.257 287 G HA3 -0.272 3.690 3.960 0.004 0.000 0.257 287 G C -0.160 174.738 174.900 -0.003 0.000 1.010 287 G CA 0.079 45.177 45.100 -0.002 0.000 0.736 287 G HN 0.606 nan 8.290 nan 0.000 0.513 288 I N 1.282 121.850 120.570 -0.004 0.000 2.321 288 I HA 0.338 4.511 4.170 0.004 0.000 0.291 288 I C -2.048 174.065 176.117 -0.006 0.000 0.998 288 I CA -2.584 58.713 61.300 -0.005 0.000 1.227 288 I CB 1.839 39.835 38.000 -0.005 0.000 1.368 288 I HN -0.158 nan 8.210 nan 0.000 0.466 289 P HA 0.065 nan 4.420 nan 0.000 0.276 289 P C -0.908 176.389 177.300 -0.005 0.000 1.253 289 P CA -0.172 62.925 63.100 -0.005 0.000 0.766 289 P CB 0.526 32.223 31.700 -0.004 0.000 0.845 290 D N 1.893 122.289 120.400 -0.006 0.000 2.210 290 D HA 0.042 4.684 4.640 0.004 0.000 0.249 290 D C 1.142 177.440 176.300 -0.003 0.000 1.062 290 D CA -0.144 53.853 54.000 -0.005 0.000 0.891 290 D CB 1.448 42.244 40.800 -0.006 0.000 1.186 290 D HN 0.273 nan 8.370 nan 0.000 0.432 291 S N 2.519 118.218 115.700 -0.001 0.000 2.400 291 S HA -0.050 4.422 4.470 0.004 0.000 0.232 291 S C 1.716 176.316 174.600 0.000 0.000 1.025 291 S CA 1.243 59.444 58.200 0.001 0.000 0.993 291 S CB -0.389 62.813 63.200 0.004 0.000 0.808 291 S HN 0.951 nan 8.310 nan 0.000 0.478 292 G N 0.020 108.820 108.800 0.000 0.000 2.179 292 G HA2 -0.240 3.722 3.960 0.004 0.000 0.260 292 G HA3 -0.240 3.722 3.960 0.004 0.000 0.260 292 G C 0.072 174.975 174.900 0.004 0.000 0.977 292 G CA 0.101 45.202 45.100 0.001 0.000 0.641 292 G HN 0.827 nan 8.290 nan 0.000 0.533 293 V N 1.584 121.501 119.914 0.005 0.000 2.488 293 V HA 0.588 4.710 4.120 0.004 0.000 0.277 293 V C 1.475 177.576 176.094 0.012 0.000 1.046 293 V CA 0.042 62.346 62.300 0.007 0.000 0.986 293 V CB 1.097 32.924 31.823 0.008 0.000 0.989 293 V HN 0.710 nan 8.190 nan 0.000 0.475 294 G N 3.794 112.602 108.800 0.012 0.000 2.544 294 G HA2 0.351 4.313 3.960 0.004 0.000 0.242 294 G HA3 0.351 4.313 3.960 0.004 0.000 0.242 294 G C -0.438 174.481 174.900 0.032 0.000 1.247 294 G CA -0.522 44.595 45.100 0.029 0.000 0.840 294 G HN 0.706 nan 8.290 nan 0.000 0.578 295 L N 1.470 122.734 121.223 0.068 0.000 2.477 295 L HA 0.333 4.676 4.340 0.004 0.000 0.272 295 L C 0.539 177.452 176.870 0.072 0.000 1.157 295 L CA 0.261 55.147 54.840 0.076 0.000 0.889 295 L CB 0.374 42.488 42.059 0.091 0.000 1.158 295 L HN 0.337 nan 8.230 nan 0.000 0.473 296 T N 5.789 120.329 114.554 -0.022 0.000 2.733 296 T HA 0.379 4.731 4.350 0.004 0.000 0.294 296 T C -0.225 174.322 174.700 -0.255 0.000 0.956 296 T CA -0.350 61.645 62.100 -0.174 0.000 0.987 296 T CB 0.652 69.385 68.868 -0.225 0.000 0.920 296 T HN 0.641 nan 8.240 nan 0.000 0.470 297 Q N 1.872 121.527 119.800 -0.241 0.000 2.226 297 Q HA 0.515 4.857 4.340 0.004 0.000 0.256 297 Q C -1.137 174.624 176.000 -0.400 0.000 0.962 297 Q CA -0.703 55.017 55.803 -0.138 0.000 0.887 297 Q CB 1.684 30.537 28.738 0.191 0.000 1.282 297 Q HN 0.559 nan 8.270 nan 0.000 0.449 298 F N 0.871 120.885 119.950 0.107 0.000 2.359 298 F HA 0.282 4.810 4.527 0.002 0.000 0.369 298 F C -0.374 175.564 175.800 0.230 0.000 1.084 298 F CA -0.806 57.262 58.000 0.113 0.000 1.096 298 F CB 1.093 40.048 39.000 -0.075 0.000 1.335 298 F HN 0.136 nan 8.300 nan 0.000 0.457 299 V N 3.101 123.227 119.914 0.354 0.000 2.498 299 V HA 0.574 4.696 4.120 0.004 0.000 0.279 299 V C 0.611 176.889 176.094 0.307 0.000 1.048 299 V CA -1.015 61.454 62.300 0.280 0.000 0.967 299 V CB 1.015 32.915 31.823 0.129 0.000 0.988 299 V HN 0.796 nan 8.190 nan 0.000 0.473 300 A N 3.397 126.340 122.820 0.206 0.000 2.477 300 A HA 0.261 4.583 4.320 0.004 0.000 0.246 300 A C 0.725 178.243 177.584 -0.110 0.000 1.078 300 A CA -0.234 51.721 52.037 -0.137 0.000 0.770 300 A CB 0.024 18.958 19.000 -0.111 0.000 1.011 300 A HN 0.904 nan 8.150 nan 0.000 0.494 301 D N 1.906 122.191 120.400 -0.191 0.000 2.178 301 D HA 0.153 4.795 4.640 0.004 0.000 0.217 301 D C 1.497 177.745 176.300 -0.088 0.000 0.992 301 D CA 1.699 55.638 54.000 -0.102 0.000 0.895 301 D CB -0.712 40.032 40.800 -0.093 0.000 1.031 301 D HN 0.680 nan 8.370 nan 0.000 0.453 302 G N 0.463 109.199 108.800 -0.107 0.000 2.525 302 G HA2 0.293 4.255 3.960 0.004 0.000 0.287 302 G HA3 0.293 4.255 3.960 0.004 0.000 0.287 302 G C -1.532 173.326 174.900 -0.069 0.000 1.350 302 G CA -0.531 44.524 45.100 -0.074 0.000 1.039 302 G HN 0.027 nan 8.290 nan 0.000 0.513 303 P HA -0.057 nan 4.420 nan 0.000 0.215 303 P C 1.048 178.326 177.300 -0.036 0.000 1.157 303 P CA 1.042 64.122 63.100 -0.033 0.000 0.863 303 P CB 0.234 31.920 31.700 -0.023 0.000 0.787 304 E N -0.694 119.480 120.200 -0.042 0.000 2.511 304 E HA 0.097 4.449 4.350 0.004 0.000 0.196 304 E C 1.102 177.666 176.600 -0.059 0.000 1.066 304 E CA 0.707 57.086 56.400 -0.036 0.000 0.871 304 E CB -0.729 28.953 29.700 -0.029 0.000 0.863 304 E HN 0.368 nan 8.360 nan 0.000 0.520 305 G N 2.479 111.211 108.800 -0.112 0.000 2.298 305 G HA2 -0.350 3.612 3.960 0.004 0.000 0.287 305 G HA3 -0.350 3.612 3.960 0.004 0.000 0.287 305 G C 0.672 175.398 174.900 -0.290 0.000 1.075 305 G CA 0.597 45.551 45.100 -0.243 0.000 0.960 305 G HN 0.336 nan 8.290 nan 0.000 0.502 306 Q N -0.523 119.156 119.800 -0.201 0.000 2.230 306 Q HA 0.102 4.445 4.340 0.004 0.000 0.202 306 Q C 1.572 177.484 176.000 -0.147 0.000 0.963 306 Q CA 1.367 57.093 55.803 -0.128 0.000 0.866 306 Q CB 0.078 28.770 28.738 -0.078 0.000 0.931 306 Q HN 1.014 nan 8.270 nan 0.000 0.452 307 S N -1.468 114.081 115.700 -0.251 0.000 2.607 307 S HA 0.574 5.046 4.470 0.004 0.000 0.273 307 S C -1.429 172.961 174.600 -0.350 0.000 1.148 307 S CA -0.960 57.133 58.200 -0.178 0.000 0.833 307 S CB 0.974 64.141 63.200 -0.054 0.000 1.130 307 S HN 0.111 nan 8.310 nan 0.000 0.470 308 Y N 0.229 120.569 120.300 0.067 0.000 2.376 308 Y HA 0.529 5.080 4.550 0.003 0.000 0.340 308 Y C 0.368 176.358 175.900 0.150 0.000 0.965 308 Y CA -0.614 57.562 58.100 0.126 0.000 1.078 308 Y CB 2.360 40.924 38.460 0.174 0.000 1.193 308 Y HN 0.689 nan 8.280 nan 0.000 0.452 309 T N 3.963 118.671 114.554 0.257 0.000 2.743 309 T HA 0.120 4.472 4.350 0.004 0.000 0.293 309 T C -0.354 174.444 174.700 0.164 0.000 0.945 309 T CA -0.584 61.613 62.100 0.161 0.000 1.030 309 T CB 0.438 69.344 68.868 0.064 0.000 0.912 309 T HN 0.526 nan 8.240 nan 0.000 0.483 310 Q N 3.250 123.117 119.800 0.111 0.000 2.288 310 Q HA 0.148 4.490 4.340 0.004 0.000 0.258 310 Q C -0.834 175.122 176.000 -0.073 0.000 0.957 310 Q CA -0.356 55.406 55.803 -0.069 0.000 0.919 310 Q CB 0.495 29.222 28.738 -0.018 0.000 1.185 310 Q HN 0.754 nan 8.270 nan 0.000 0.408 311 H N 3.106 121.995 119.070 -0.301 0.000 2.924 311 H HA 0.324 4.882 4.556 0.004 0.000 0.333 311 H C -1.467 173.644 175.328 -0.362 0.000 0.979 311 H CA -0.564 55.287 56.048 -0.329 0.000 1.326 311 H CB 1.532 31.086 29.762 -0.347 0.000 1.600 311 H HN 0.612 nan 8.280 nan 0.000 0.520 312 T N 5.765 119.916 114.554 -0.671 0.000 2.842 312 T HA 0.111 4.463 4.350 0.004 0.000 0.308 312 T C -0.343 174.044 174.700 -0.521 0.000 1.041 312 T CA -0.552 61.268 62.100 -0.467 0.000 0.964 312 T CB -0.084 68.643 68.868 -0.235 0.000 0.972 312 T HN 0.358 nan 8.240 nan 0.000 0.460 313 W N 4.970 126.047 121.300 -0.372 0.000 2.190 313 W HA 0.361 5.022 4.660 0.002 0.000 0.330 313 W C -1.816 174.632 176.519 -0.119 0.000 1.299 313 W CA -1.886 55.323 57.345 -0.226 0.000 1.215 313 W CB -0.056 29.328 29.460 -0.126 0.000 1.147 313 W HN 0.354 nan 8.180 nan 0.000 0.563 314 P HA 0.238 nan 4.420 nan 0.000 0.278 314 P C -1.227 176.130 177.300 0.095 0.000 1.238 314 P CA -0.210 62.943 63.100 0.088 0.000 0.794 314 P CB 2.000 33.740 31.700 0.067 0.000 0.955 315 V N 1.320 121.266 119.914 0.053 0.000 2.638 315 V HA 0.464 4.586 4.120 0.004 0.000 0.306 315 V C -0.586 175.517 176.094 0.016 0.000 1.052 315 V CA -0.475 61.847 62.300 0.036 0.000 0.885 315 V CB 1.962 33.803 31.823 0.030 0.000 0.999 315 V HN 0.729 nan 8.190 nan 0.000 0.424 316 S N 5.529 121.232 115.700 0.006 0.000 2.475 316 S HA 0.619 5.091 4.470 0.004 0.000 0.298 316 S C 0.151 174.741 174.600 -0.017 0.000 1.119 316 S CA -0.630 57.564 58.200 -0.009 0.000 1.085 316 S CB 1.413 64.602 63.200 -0.018 0.000 1.028 316 S HN 0.726 nan 8.310 nan 0.000 0.489 317 L N 3.334 124.545 121.223 -0.021 0.000 2.769 317 L HA 0.431 4.773 4.340 0.004 0.000 0.240 317 L C 0.755 177.603 176.870 -0.037 0.000 1.163 317 L CA -0.266 54.559 54.840 -0.025 0.000 0.962 317 L CB 0.158 42.206 42.059 -0.019 0.000 1.258 317 L HN 0.704 nan 8.230 nan 0.000 0.513 318 A N 0.237 123.030 122.820 -0.046 0.000 2.366 318 A HA 0.355 4.677 4.320 0.004 0.000 0.322 318 A C -0.462 177.066 177.584 -0.092 0.000 1.397 318 A CA -0.544 51.454 52.037 -0.065 0.000 0.984 318 A CB -0.081 18.880 19.000 -0.064 0.000 1.149 318 A HN 0.053 nan 8.150 nan 0.000 0.540 319 D N 1.537 121.880 120.400 -0.095 0.000 2.368 319 D HA 0.207 4.849 4.640 0.004 0.000 0.240 319 D C 0.410 176.576 176.300 -0.224 0.000 1.169 319 D CA 0.311 54.237 54.000 -0.124 0.000 0.906 319 D CB 0.597 41.347 40.800 -0.084 0.000 1.187 319 D HN 0.333 nan 8.370 nan 0.000 0.435 320 R N 1.499 121.780 120.500 -0.365 0.000 2.428 320 R HA 0.371 4.713 4.340 0.004 0.000 0.294 320 R C -2.179 173.858 176.300 -0.439 0.000 1.000 320 R CA -1.725 53.946 56.100 -0.716 0.000 0.960 320 R CB 0.722 29.993 30.300 -1.714 0.000 1.076 320 R HN 0.326 nan 8.270 nan 0.000 0.475 321 P HA 0.164 nan 4.420 nan 0.000 0.272 321 P C -2.542 174.886 177.300 0.213 0.000 1.230 321 P CA -1.537 61.566 63.100 0.005 0.000 0.788 321 P CB -0.345 31.387 31.700 0.054 0.000 0.949 322 P HA 0.005 nan 4.420 nan 0.000 0.262 322 P C 1.143 178.626 177.300 0.304 0.000 1.182 322 P CA 0.205 63.473 63.100 0.280 0.000 0.761 322 P CB 0.061 31.861 31.700 0.168 0.000 0.795 323 M N 3.436 123.202 119.600 0.277 0.000 2.195 323 M HA -0.220 4.262 4.480 0.004 0.000 0.260 323 M C 1.529 177.842 176.300 0.022 0.000 1.066 323 M CA 1.851 57.177 55.300 0.043 0.000 1.089 323 M CB -0.975 31.484 32.600 -0.235 0.000 1.377 323 M HN 0.285 nan 8.290 nan 0.000 0.411 324 Q N -0.607 119.223 119.800 0.050 0.000 2.297 324 Q HA -0.055 4.287 4.340 0.004 0.000 0.208 324 Q C 2.020 178.046 176.000 0.044 0.000 0.981 324 Q CA 1.617 57.440 55.803 0.034 0.000 0.876 324 Q CB -0.676 28.085 28.738 0.040 0.000 0.921 324 Q HN 0.699 nan 8.270 nan 0.000 0.446 325 A N -0.090 122.778 122.820 0.079 0.000 2.021 325 A HA -0.032 4.290 4.320 0.004 0.000 0.216 325 A C 1.854 179.486 177.584 0.078 0.000 1.163 325 A CA 0.540 52.625 52.037 0.079 0.000 0.676 325 A CB 0.081 19.140 19.000 0.097 0.000 0.818 325 A HN 0.170 nan 8.150 nan 0.000 0.453 326 I N -1.683 118.942 120.570 0.092 0.000 2.834 326 I HA 0.164 4.336 4.170 0.004 0.000 0.239 326 I C 1.259 177.377 176.117 0.001 0.000 1.073 326 I CA 0.792 62.134 61.300 0.070 0.000 1.459 326 I CB -0.733 37.336 38.000 0.115 0.000 1.288 326 I HN 0.209 nan 8.210 nan 0.000 0.455 327 R N 2.930 123.400 120.500 -0.050 0.000 2.415 327 R HA 0.321 4.663 4.340 0.004 0.000 0.292 327 R C -2.605 173.658 176.300 -0.062 0.000 1.295 327 R CA -1.640 54.419 56.100 -0.068 0.000 1.137 327 R CB 1.151 31.383 30.300 -0.115 0.000 1.135 327 R HN 0.004 nan 8.270 nan 0.000 0.560 328 P HA 0.101 nan 4.420 nan 0.000 0.271 328 P C -0.040 177.241 177.300 -0.032 0.000 1.226 328 P CA 0.136 63.222 63.100 -0.024 0.000 0.765 328 P CB 0.765 32.460 31.700 -0.009 0.000 0.835 329 R N 0.000 120.481 120.500 -0.032 0.000 2.786 329 R HA 0.000 4.342 4.340 0.004 0.000 0.208 329 R CA 0.000 56.080 56.100 -0.033 0.000 0.921 329 R CB 0.000 30.282 30.300 -0.030 0.000 0.687 329 R HN 0.000 nan 8.270 nan 0.000 0.535