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 1p1i_1_B DATA FIRST_RESID 10 DATA SEQUENCE TSVKVVTDKC TYKDNELLTK YSYENAVVTK TASGRFDVTP TVQDYVFKLD DATA SEQUENCE LKKPEKLGIM LIGLGGNNGS TLVASVLANK HNVEFQTKEG VKQPNYFGSM DATA SEQUENCE TQCSTLKLGI DAEGNDVYAP FNSLLPMVSP NDFVVSGWDI NNADLYEAMQ DATA SEQUENCE RSQVLEYDLQ QRLKAKMSLV KPLPSIYYPD FIAANQDERA NNCINLDEKG DATA SEQUENCE NVTTRGKWTH LQRIRRDIQN FKEENALDKV IVLWTANTER YVEVSPGVND DATA SEQUENCE TMENLLQSIK NDHEEIAPST IFAAASILEG VPYINGSPQN TFVPGLVQLA DATA SEQUENCE EHEGTFIAGD DLKSGQTKLK SVLAQFLVDA GIKPVSIASY NHLGXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX IIASNDILYN DKLGKKVDHC IVIKYMKPVG DATA SEQUENCE DSKVAMDEYY SELMLGGHNR ISIHNVCEDS LLATPLIIDL LVMTEFCTRV DATA SEQUENCE SYKKVDPVKE DAGKFENFYP VLTFLSYWLK APLTRPGFHP VNGLNKQRTA DATA SEQUENCE LENFLRLLIG LPSQNELRFE ERLL 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 10 T HA 0.000 nan 4.350 nan 0.000 0.228 10 T C 0.000 174.702 174.700 0.004 0.000 1.109 10 T CA 0.000 62.106 62.100 0.009 0.000 1.349 10 T CB 0.000 68.875 68.868 0.012 0.000 0.612 11 S N 0.151 115.850 115.700 -0.002 0.000 2.543 11 S HA 0.739 5.210 4.470 0.001 0.000 0.271 11 S C -1.164 173.429 174.600 -0.012 0.000 1.148 11 S CA -0.773 57.424 58.200 -0.006 0.000 0.914 11 S CB 2.161 65.356 63.200 -0.008 0.000 1.096 11 S HN 0.379 nan 8.310 nan 0.000 0.471 12 V N 2.580 122.486 119.914 -0.013 0.000 2.378 12 V HA 0.611 4.732 4.120 0.001 0.000 0.288 12 V C -0.420 175.667 176.094 -0.012 0.000 1.016 12 V CA -0.533 61.756 62.300 -0.017 0.000 0.840 12 V CB 1.404 33.211 31.823 -0.028 0.000 0.994 12 V HN 0.892 nan 8.190 nan 0.000 0.431 13 K N 4.610 124.999 120.400 -0.018 0.000 2.414 13 K HA 0.462 4.783 4.320 0.001 0.000 0.251 13 K C -0.905 175.690 176.600 -0.009 0.000 1.037 13 K CA -0.308 55.965 56.287 -0.023 0.000 0.980 13 K CB 1.196 33.672 32.500 -0.041 0.000 1.280 13 K HN 0.478 nan 8.250 nan 0.000 0.451 14 V N 4.763 124.684 119.914 0.012 0.000 2.546 14 V HA 0.415 4.536 4.120 0.001 0.000 0.284 14 V C -0.669 175.445 176.094 0.034 0.000 1.050 14 V CA -0.557 61.755 62.300 0.020 0.000 0.981 14 V CB 1.466 33.305 31.823 0.026 0.000 0.990 14 V HN 0.416 nan 8.190 nan 0.000 0.474 15 V N 6.787 126.717 119.914 0.026 0.000 2.258 15 V HA 0.392 4.513 4.120 0.001 0.000 0.258 15 V C 0.385 176.504 176.094 0.042 0.000 1.121 15 V CA 0.166 62.485 62.300 0.032 0.000 0.942 15 V CB 0.165 31.999 31.823 0.017 0.000 1.170 15 V HN 1.034 nan 8.190 nan 0.000 0.487 16 T N 1.367 115.959 114.554 0.063 0.000 2.906 16 T HA 0.343 4.694 4.350 0.001 0.000 0.295 16 T C 0.564 175.310 174.700 0.077 0.000 1.075 16 T CA -0.365 61.774 62.100 0.065 0.000 1.005 16 T CB 1.861 70.771 68.868 0.070 0.000 1.136 16 T HN 0.711 nan 8.240 nan 0.000 0.498 17 D N 1.343 121.785 120.400 0.069 0.000 2.340 17 D HA 0.068 4.709 4.640 0.001 0.000 0.220 17 D C 1.071 177.420 176.300 0.081 0.000 1.039 17 D CA 0.335 54.378 54.000 0.071 0.000 0.866 17 D CB 0.119 40.953 40.800 0.056 0.000 0.913 17 D HN 0.510 nan 8.370 nan 0.000 0.523 18 K N -0.506 119.949 120.400 0.090 0.000 2.432 18 K HA 0.117 4.438 4.320 0.001 0.000 0.196 18 K C 0.040 176.702 176.600 0.103 0.000 1.038 18 K CA 0.179 56.529 56.287 0.104 0.000 0.986 18 K CB 0.270 32.845 32.500 0.125 0.000 0.782 18 K HN 0.132 nan 8.250 nan 0.000 0.485 19 C N 1.668 121.029 119.300 0.102 0.000 2.369 19 C HA 0.430 4.891 4.460 0.001 0.000 0.322 19 C C 0.188 175.256 174.990 0.130 0.000 1.258 19 C CA -0.956 58.110 59.018 0.080 0.000 1.487 19 C CB 1.045 28.852 27.740 0.111 0.000 2.165 19 C HN 0.347 nan 8.230 nan 0.000 0.483 20 T N 0.154 114.737 114.554 0.047 0.000 2.893 20 T HA 0.694 5.045 4.350 0.001 0.000 0.293 20 T C -1.417 173.310 174.700 0.045 0.000 1.027 20 T CA -0.504 61.682 62.100 0.144 0.000 0.988 20 T CB 1.106 70.031 68.868 0.095 0.000 1.043 20 T HN 0.449 nan 8.240 nan 0.000 0.461 21 Y N 1.279 121.597 120.300 0.030 0.000 2.328 21 Y HA 0.551 5.102 4.550 0.001 0.000 0.336 21 Y C 1.046 176.954 175.900 0.014 0.000 0.960 21 Y CA -1.318 56.795 58.100 0.022 0.000 1.134 21 Y CB 1.794 40.264 38.460 0.018 0.000 1.166 21 Y HN 0.650 nan 8.280 nan 0.000 0.464 22 K N 1.090 121.559 120.400 0.115 0.000 3.554 22 K HA 0.171 4.492 4.320 0.001 0.000 0.183 22 K C -0.808 175.836 176.600 0.073 0.000 1.147 22 K CA -0.169 56.159 56.287 0.068 0.000 1.595 22 K CB 0.058 32.569 32.500 0.018 0.000 2.206 22 K HN 0.540 nan 8.250 nan 0.000 0.543 23 D N 1.450 121.873 120.400 0.039 0.000 2.479 23 D HA 0.226 4.867 4.640 0.001 0.000 0.247 23 D C -1.229 175.090 176.300 0.031 0.000 1.119 23 D CA -0.155 53.865 54.000 0.034 0.000 0.922 23 D CB 0.216 41.026 40.800 0.016 0.000 1.014 23 D HN 0.293 nan 8.370 nan 0.000 0.510 24 N N 2.036 120.770 118.700 0.057 0.000 2.780 24 N HA -0.207 4.534 4.740 0.001 0.000 0.247 24 N C -0.721 174.805 175.510 0.025 0.000 1.076 24 N CA 0.815 53.896 53.050 0.051 0.000 0.688 24 N CB -0.596 37.908 38.487 0.028 0.000 0.957 24 N HN 0.517 nan 8.380 nan 0.000 0.551 25 E N 0.186 120.402 120.200 0.026 0.000 2.335 25 E HA 0.589 4.940 4.350 0.001 0.000 0.280 25 E C -1.716 174.831 176.600 -0.088 0.000 0.918 25 E CA -0.735 55.645 56.400 -0.033 0.000 0.765 25 E CB 1.333 31.000 29.700 -0.054 0.000 1.218 25 E HN 0.179 nan 8.360 nan 0.000 0.425 26 L N 4.624 125.759 121.223 -0.146 0.000 2.341 26 L HA 0.652 4.993 4.340 0.001 0.000 0.278 26 L C -1.811 174.970 176.870 -0.148 0.000 1.005 26 L CA -0.529 54.117 54.840 -0.322 0.000 0.818 26 L CB 1.235 43.065 42.059 -0.382 0.000 1.259 26 L HN 0.662 nan 8.230 nan 0.000 0.418 27 L N 4.640 125.773 121.223 -0.150 0.000 2.356 27 L HA 0.700 5.041 4.340 0.001 0.000 0.277 27 L C -0.574 176.322 176.870 0.043 0.000 0.996 27 L CA -0.291 54.566 54.840 0.029 0.000 0.822 27 L CB 2.156 44.246 42.059 0.052 0.000 1.256 27 L HN 0.602 nan 8.230 nan 0.000 0.413 28 T N 2.117 116.768 114.554 0.162 0.000 2.881 28 T HA 0.396 4.747 4.350 0.001 0.000 0.290 28 T C -0.570 174.297 174.700 0.279 0.000 1.000 28 T CA -0.938 61.277 62.100 0.193 0.000 0.978 28 T CB 2.001 70.982 68.868 0.188 0.000 0.997 28 T HN 0.242 nan 8.240 nan 0.000 0.443 29 K N 2.150 122.690 120.400 0.234 0.000 2.144 29 K HA 0.441 4.762 4.320 0.001 0.000 0.270 29 K C -1.166 175.657 176.600 0.371 0.000 1.005 29 K CA -0.541 55.891 56.287 0.240 0.000 0.932 29 K CB 1.406 33.997 32.500 0.153 0.000 1.021 29 K HN 0.791 nan 8.250 nan 0.000 0.462 30 Y N -0.357 120.091 120.300 0.245 0.000 2.313 30 Y HA 0.097 4.648 4.550 0.001 0.000 0.320 30 Y C -1.122 174.954 175.900 0.293 0.000 1.171 30 Y CA -0.341 57.932 58.100 0.287 0.000 1.093 30 Y CB 1.457 40.176 38.460 0.431 0.000 1.224 30 Y HN 0.475 nan 8.280 nan 0.000 0.421 31 S N 6.771 122.218 115.700 -0.422 0.000 2.681 31 S HA 0.117 4.587 4.470 0.001 0.000 0.313 31 S C -0.940 173.314 174.600 -0.576 0.000 1.137 31 S CA -0.330 57.680 58.200 -0.315 0.000 1.045 31 S CB -0.524 62.572 63.200 -0.174 0.000 1.208 31 S HN 0.591 nan 8.310 nan 0.000 0.523 32 Y N 3.131 123.158 120.300 -0.456 0.000 2.480 32 Y HA 0.210 4.761 4.550 0.001 0.000 0.341 32 Y C 0.434 176.311 175.900 -0.039 0.000 1.031 32 Y CA -0.012 57.966 58.100 -0.204 0.000 1.295 32 Y CB 0.252 38.851 38.460 0.232 0.000 1.162 32 Y HN 0.514 nan 8.280 nan 0.000 0.523 33 E N 4.906 124.752 120.200 -0.591 0.000 2.222 33 E HA 0.336 4.687 4.350 0.001 0.000 0.267 33 E C -0.766 175.437 176.600 -0.661 0.000 0.963 33 E CA -0.841 55.266 56.400 -0.489 0.000 0.837 33 E CB 1.418 30.964 29.700 -0.257 0.000 1.183 33 E HN 0.726 nan 8.360 nan 0.000 0.403 34 N N -0.273 118.200 118.700 -0.378 0.000 3.547 34 N HA 0.593 5.334 4.740 0.001 0.000 0.347 34 N C -2.140 173.290 175.510 -0.134 0.000 1.533 34 N CA -0.122 52.770 53.050 -0.263 0.000 0.848 34 N CB 1.410 39.745 38.487 -0.254 0.000 2.112 34 N HN 0.451 nan 8.380 nan 0.000 0.527 35 A N 0.225 122.995 122.820 -0.083 0.000 2.594 35 A HA 0.532 4.853 4.320 0.001 0.000 0.296 35 A C -1.721 175.848 177.584 -0.025 0.000 1.056 35 A CA -0.418 51.590 52.037 -0.047 0.000 0.693 35 A CB 0.792 19.766 19.000 -0.045 0.000 1.278 35 A HN 0.216 nan 8.150 nan 0.000 0.408 36 V N 1.700 121.609 119.914 -0.008 0.000 2.417 36 V HA 0.606 4.727 4.120 0.001 0.000 0.291 36 V C -0.083 176.026 176.094 0.024 0.000 1.024 36 V CA -0.531 61.773 62.300 0.006 0.000 0.861 36 V CB 1.381 33.210 31.823 0.010 0.000 0.985 36 V HN 0.772 nan 8.190 nan 0.000 0.436 37 V N 3.334 123.273 119.914 0.042 0.000 2.769 37 V HA 0.712 4.833 4.120 0.001 0.000 0.312 37 V C 0.043 176.188 176.094 0.086 0.000 1.058 37 V CA -0.400 61.952 62.300 0.087 0.000 0.952 37 V CB 2.156 34.061 31.823 0.136 0.000 1.019 37 V HN 0.927 nan 8.190 nan 0.000 0.445 38 T N 2.875 117.483 114.554 0.090 0.000 3.170 38 T HA 0.290 4.641 4.350 0.001 0.000 0.315 38 T C -0.561 174.120 174.700 -0.032 0.000 0.967 38 T CA -0.664 61.454 62.100 0.030 0.000 1.024 38 T CB 1.117 69.993 68.868 0.014 0.000 1.018 38 T HN 0.721 nan 8.240 nan 0.000 0.449 39 K N 3.828 124.148 120.400 -0.134 0.000 2.315 39 K HA 0.311 4.632 4.320 0.001 0.000 0.291 39 K C 1.121 177.600 176.600 -0.201 0.000 1.074 39 K CA -0.348 55.732 56.287 -0.345 0.000 0.936 39 K CB 0.037 32.242 32.500 -0.492 0.000 1.049 39 K HN 0.725 nan 8.250 nan 0.000 0.471 40 T N 1.439 115.898 114.554 -0.159 0.000 2.616 40 T HA 0.043 4.394 4.350 0.001 0.000 0.327 40 T C 1.530 176.171 174.700 -0.098 0.000 1.049 40 T CA 0.042 62.086 62.100 -0.095 0.000 1.022 40 T CB 0.687 69.516 68.868 -0.064 0.000 1.009 40 T HN 0.560 nan 8.240 nan 0.000 0.535 41 A N 1.255 124.037 122.820 -0.063 0.000 1.873 41 A HA -0.062 4.259 4.320 0.001 0.000 0.218 41 A C 2.433 179.981 177.584 -0.060 0.000 1.193 41 A CA 2.268 54.273 52.037 -0.053 0.000 0.629 41 A CB -1.518 17.461 19.000 -0.034 0.000 0.826 41 A HN 1.442 nan 8.150 nan 0.000 0.447 42 S N -0.583 115.083 115.700 -0.055 0.000 2.942 42 S HA 0.394 4.865 4.470 0.001 0.000 0.244 42 S C 1.009 175.565 174.600 -0.074 0.000 1.011 42 S CA 0.600 58.770 58.200 -0.050 0.000 1.102 42 S CB -1.187 61.994 63.200 -0.031 0.000 0.812 42 S HN 1.977 nan 8.310 nan 0.000 0.486 43 G N 1.763 110.488 108.800 -0.124 0.000 2.372 43 G HA2 -0.269 3.692 3.960 0.001 0.000 0.297 43 G HA3 -0.269 3.692 3.960 0.001 0.000 0.297 43 G C -0.168 174.595 174.900 -0.230 0.000 1.005 43 G CA 0.034 45.009 45.100 -0.209 0.000 1.173 43 G HN 0.676 nan 8.290 nan 0.000 0.511 44 R N 0.267 120.632 120.500 -0.225 0.000 2.435 44 R HA 0.449 4.790 4.340 0.001 0.000 0.308 44 R C -0.445 175.788 176.300 -0.112 0.000 0.975 44 R CA -1.007 55.033 56.100 -0.099 0.000 0.867 44 R CB 0.393 30.682 30.300 -0.018 0.000 1.171 44 R HN 0.062 nan 8.270 nan 0.000 0.470 45 F N 3.100 123.050 119.950 0.000 0.000 2.502 45 F HA 0.142 4.670 4.527 0.001 0.000 0.371 45 F C 0.836 176.635 175.800 -0.002 0.000 1.083 45 F CA 0.245 58.245 58.000 -0.001 0.000 1.174 45 F CB 0.435 39.434 39.000 -0.002 0.000 1.096 45 F HN 0.177 nan 8.300 nan 0.000 0.545 46 D N 3.053 123.537 120.400 0.140 0.000 2.280 46 D HA 0.285 4.926 4.640 0.001 0.000 0.236 46 D C -0.764 175.588 176.300 0.087 0.000 1.082 46 D CA -0.048 54.003 54.000 0.086 0.000 0.834 46 D CB 2.349 43.174 40.800 0.042 0.000 1.100 46 D HN 0.335 nan 8.370 nan 0.000 0.486 47 V N 2.691 122.646 119.914 0.068 0.000 2.448 47 V HA 0.445 4.566 4.120 0.001 0.000 0.295 47 V C -0.629 175.477 176.094 0.021 0.000 1.025 47 V CA -0.155 62.172 62.300 0.045 0.000 0.859 47 V CB 1.927 33.770 31.823 0.032 0.000 0.988 47 V HN 0.460 nan 8.190 nan 0.000 0.431 48 T N 9.567 124.129 114.554 0.013 0.000 2.772 48 T HA 0.503 4.854 4.350 0.001 0.000 0.288 48 T C -2.734 171.961 174.700 -0.009 0.000 0.994 48 T CA -0.940 61.162 62.100 0.003 0.000 0.951 48 T CB 1.585 70.457 68.868 0.006 0.000 0.933 48 T HN 0.604 nan 8.240 nan 0.000 0.447 49 P HA 0.292 nan 4.420 nan 0.000 0.272 49 P C -0.453 176.827 177.300 -0.034 0.000 1.223 49 P CA -0.295 62.784 63.100 -0.035 0.000 0.784 49 P CB 0.492 32.170 31.700 -0.037 0.000 0.923 50 T N -0.956 113.568 114.554 -0.051 0.000 2.971 50 T HA 0.555 4.906 4.350 0.001 0.000 0.304 50 T C -1.092 173.572 174.700 -0.059 0.000 1.038 50 T CA -0.806 61.273 62.100 -0.035 0.000 1.007 50 T CB 1.010 69.873 68.868 -0.008 0.000 1.055 50 T HN 0.230 nan 8.240 nan 0.000 0.451 51 V N 2.667 122.564 119.914 -0.029 0.000 2.604 51 V HA 0.881 5.002 4.120 0.001 0.000 0.305 51 V C -1.515 174.608 176.094 0.048 0.000 1.043 51 V CA -0.479 61.807 62.300 -0.024 0.000 0.888 51 V CB 1.899 33.697 31.823 -0.042 0.000 0.995 51 V HN 1.187 nan 8.190 nan 0.000 0.429 52 Q N 4.233 124.120 119.800 0.145 0.000 2.275 52 Q HA 0.428 4.769 4.340 0.001 0.000 0.266 52 Q C -1.336 174.798 176.000 0.225 0.000 1.002 52 Q CA -0.377 55.531 55.803 0.174 0.000 0.761 52 Q CB 1.757 30.679 28.738 0.307 0.000 1.255 52 Q HN 0.824 nan 8.270 nan 0.000 0.446 53 D N 3.255 123.679 120.400 0.041 0.000 2.345 53 D HA 0.262 4.903 4.640 0.001 0.000 0.247 53 D C -0.543 175.734 176.300 -0.039 0.000 1.108 53 D CA 0.520 54.560 54.000 0.066 0.000 0.894 53 D CB 0.673 41.471 40.800 -0.004 0.000 1.203 53 D HN 0.450 nan 8.370 nan 0.000 0.430 54 Y N -0.651 119.670 120.300 0.035 0.000 2.609 54 Y HA 0.449 5.000 4.550 0.002 0.000 0.342 54 Y C -0.247 175.580 175.900 -0.122 0.000 1.058 54 Y CA -0.976 57.062 58.100 -0.104 0.000 1.055 54 Y CB 1.976 40.334 38.460 -0.170 0.000 1.292 54 Y HN -0.004 nan 8.280 nan 0.000 0.476 55 V N 2.709 122.519 119.914 -0.174 0.000 2.532 55 V HA 0.373 4.493 4.120 0.001 0.000 0.294 55 V C -1.195 174.774 176.094 -0.208 0.000 1.036 55 V CA -1.014 61.233 62.300 -0.089 0.000 0.876 55 V CB 0.870 32.644 31.823 -0.082 0.000 1.012 55 V HN 0.500 nan 8.190 nan 0.000 0.432 56 F N 2.847 122.938 119.950 0.235 0.000 2.399 56 F HA 0.618 5.146 4.527 0.001 0.000 0.328 56 F C 0.414 176.401 175.800 0.313 0.000 1.084 56 F CA -0.514 57.654 58.000 0.280 0.000 1.053 56 F CB 1.450 40.578 39.000 0.214 0.000 1.209 56 F HN 0.251 nan 8.300 nan 0.000 0.502 57 K N 3.649 124.371 120.400 0.536 0.000 2.413 57 K HA 0.425 4.745 4.320 0.001 0.000 0.257 57 K C -1.970 174.740 176.600 0.183 0.000 0.946 57 K CA -0.607 55.856 56.287 0.294 0.000 0.823 57 K CB 1.419 34.008 32.500 0.148 0.000 1.109 57 K HN 0.596 nan 8.250 nan 0.000 0.427 58 L N 4.927 126.184 121.223 0.056 0.000 2.342 58 L HA 0.300 4.641 4.340 0.001 0.000 0.276 58 L C -0.909 175.931 176.870 -0.050 0.000 0.997 58 L CA -0.344 54.484 54.840 -0.020 0.000 0.838 58 L CB 1.406 43.417 42.059 -0.080 0.000 1.224 58 L HN 0.792 nan 8.230 nan 0.000 0.416 59 D N 5.112 125.484 120.400 -0.046 0.000 2.349 59 D HA 0.019 4.660 4.640 0.001 0.000 0.266 59 D C 1.232 177.511 176.300 -0.034 0.000 1.293 59 D CA 0.022 53.999 54.000 -0.038 0.000 0.926 59 D CB 0.671 41.453 40.800 -0.029 0.000 1.090 59 D HN 0.626 nan 8.370 nan 0.000 0.502 60 L N 2.875 124.095 121.223 -0.005 0.000 2.549 60 L HA -0.044 4.297 4.340 0.001 0.000 0.229 60 L C 1.531 178.419 176.870 0.029 0.000 1.158 60 L CA 0.516 55.372 54.840 0.028 0.000 0.842 60 L CB -0.359 41.748 42.059 0.081 0.000 0.952 60 L HN 0.262 nan 8.230 nan 0.000 0.452 61 K N 2.502 122.911 120.400 0.016 0.000 2.257 61 K HA 0.146 4.467 4.320 0.001 0.000 0.270 61 K C 0.089 176.701 176.600 0.019 0.000 1.098 61 K CA -0.446 55.852 56.287 0.019 0.000 0.943 61 K CB 0.432 32.940 32.500 0.013 0.000 1.316 61 K HN 0.059 nan 8.250 nan 0.000 0.447 62 K N 4.350 124.769 120.400 0.032 0.000 2.185 62 K HA 0.329 4.650 4.320 0.001 0.000 0.271 62 K C -2.238 174.388 176.600 0.043 0.000 1.013 62 K CA -1.558 54.756 56.287 0.044 0.000 0.943 62 K CB 0.472 33.011 32.500 0.066 0.000 0.998 62 K HN 0.261 nan 8.250 nan 0.000 0.468 63 P HA -0.001 nan 4.420 nan 0.000 0.268 63 P C -0.409 176.920 177.300 0.049 0.000 1.204 63 P CA 0.099 63.226 63.100 0.046 0.000 0.768 63 P CB 0.825 32.559 31.700 0.056 0.000 0.842 64 E N 1.377 121.597 120.200 0.033 0.000 2.347 64 E HA -0.049 4.302 4.350 0.001 0.000 0.196 64 E C 0.158 176.780 176.600 0.037 0.000 1.008 64 E CA 0.867 57.284 56.400 0.028 0.000 0.852 64 E CB 0.169 29.878 29.700 0.015 0.000 0.783 64 E HN 0.349 nan 8.360 nan 0.000 0.505 65 K N 0.868 121.297 120.400 0.048 0.000 2.619 65 K HA 0.239 4.560 4.320 0.001 0.000 0.251 65 K C -1.458 175.196 176.600 0.090 0.000 0.987 65 K CA -0.694 55.634 56.287 0.068 0.000 0.844 65 K CB 1.995 34.514 32.500 0.032 0.000 1.237 65 K HN -0.077 nan 8.250 nan 0.000 0.447 66 L N 1.732 123.060 121.223 0.175 0.000 2.289 66 L HA 0.560 4.901 4.340 0.001 0.000 0.285 66 L C 0.286 177.220 176.870 0.106 0.000 1.049 66 L CA 0.091 55.022 54.840 0.152 0.000 0.804 66 L CB 1.447 43.641 42.059 0.224 0.000 1.195 66 L HN 0.688 nan 8.230 nan 0.000 0.428 67 G N 6.115 114.959 108.800 0.074 0.000 2.372 67 G HA2 0.547 4.508 3.960 0.001 0.000 0.283 67 G HA3 0.547 4.508 3.960 0.001 0.000 0.283 67 G C -0.769 174.224 174.900 0.155 0.000 1.177 67 G CA -0.385 44.824 45.100 0.182 0.000 0.842 67 G HN 0.466 nan 8.290 nan 0.000 0.503 68 I N 2.450 123.110 120.570 0.151 0.000 2.466 68 I HA 0.358 4.529 4.170 0.001 0.000 0.289 68 I C -0.215 175.778 176.117 -0.205 0.000 1.026 68 I CA -0.690 60.554 61.300 -0.093 0.000 1.078 68 I CB 1.806 39.631 38.000 -0.291 0.000 1.249 68 I HN 0.364 nan 8.210 nan 0.000 0.429 69 M N 6.659 126.136 119.600 -0.205 0.000 2.085 69 M HA 0.424 4.905 4.480 0.001 0.000 0.309 69 M C -1.264 174.970 176.300 -0.111 0.000 0.947 69 M CA -0.852 54.239 55.300 -0.350 0.000 0.918 69 M CB 2.246 34.617 32.600 -0.382 0.000 1.504 69 M HN 0.179 nan 8.290 nan 0.000 0.420 70 L N 4.344 125.463 121.223 -0.174 0.000 2.295 70 L HA 0.547 4.888 4.340 0.001 0.000 0.285 70 L C -0.361 176.472 176.870 -0.062 0.000 1.035 70 L CA -0.450 54.323 54.840 -0.111 0.000 0.806 70 L CB 1.410 43.376 42.059 -0.156 0.000 1.214 70 L HN 0.579 nan 8.230 nan 0.000 0.426 71 I N 3.158 123.651 120.570 -0.127 0.000 2.337 71 I HA 0.467 4.637 4.170 0.001 0.000 0.291 71 I C 0.934 176.734 176.117 -0.529 0.000 1.046 71 I CA 0.320 61.420 61.300 -0.334 0.000 1.324 71 I CB 0.855 38.358 38.000 -0.828 0.000 1.409 71 I HN 0.774 nan 8.210 nan 0.000 0.494 72 G N 5.232 113.814 108.800 -0.363 0.000 2.173 72 G HA2 -0.183 3.778 3.960 0.001 0.000 0.174 72 G HA3 -0.183 3.778 3.960 0.001 0.000 0.174 72 G C 0.641 175.410 174.900 -0.219 0.000 1.025 72 G CA -0.273 44.627 45.100 -0.334 0.000 0.706 72 G HN 0.598 nan 8.290 nan 0.000 0.499 73 L N 0.304 121.422 121.223 -0.175 0.000 2.353 73 L HA 0.074 4.415 4.340 0.001 0.000 0.220 73 L C 2.053 178.854 176.870 -0.114 0.000 1.133 73 L CA 2.434 57.187 54.840 -0.145 0.000 0.798 73 L CB -0.549 41.413 42.059 -0.161 0.000 0.922 73 L HN 0.450 nan 8.230 nan 0.000 0.445 74 G N -1.122 107.611 108.800 -0.111 0.000 3.189 74 G HA2 0.196 4.157 3.960 0.001 0.000 0.225 74 G HA3 0.196 4.157 3.960 0.001 0.000 0.225 74 G C 0.746 175.596 174.900 -0.083 0.000 1.159 74 G CA 0.329 45.376 45.100 -0.088 0.000 0.763 74 G HN 0.499 nan 8.290 nan 0.000 0.549 75 G N 0.306 109.049 108.800 -0.095 0.000 2.510 75 G HA2 0.254 4.214 3.960 0.001 0.000 0.280 75 G HA3 0.254 4.214 3.960 0.001 0.000 0.280 75 G C 0.805 175.667 174.900 -0.063 0.000 1.386 75 G CA -0.329 44.724 45.100 -0.079 0.000 1.047 75 G HN 0.099 nan 8.290 nan 0.000 0.527 76 N N -0.009 118.662 118.700 -0.048 0.000 2.080 76 N HA -0.108 4.633 4.740 0.001 0.000 0.189 76 N C 2.103 177.591 175.510 -0.036 0.000 1.036 76 N CA 1.164 54.192 53.050 -0.037 0.000 0.846 76 N CB -0.155 38.319 38.487 -0.022 0.000 1.015 76 N HN 0.366 nan 8.380 nan 0.000 0.423 77 N N 0.085 118.762 118.700 -0.039 0.000 2.106 77 N HA -0.052 4.689 4.740 0.001 0.000 0.188 77 N C 1.802 177.287 175.510 -0.042 0.000 1.029 77 N CA 1.312 54.342 53.050 -0.033 0.000 0.848 77 N CB -0.933 37.533 38.487 -0.036 0.000 1.007 77 N HN 0.304 nan 8.380 nan 0.000 0.423 78 G N 0.691 109.451 108.800 -0.068 0.000 2.480 78 G HA2 -0.281 3.680 3.960 0.001 0.000 0.216 78 G HA3 -0.281 3.680 3.960 0.001 0.000 0.216 78 G C 1.688 176.557 174.900 -0.052 0.000 1.200 78 G CA 1.856 46.911 45.100 -0.075 0.000 0.782 78 G HN 0.509 nan 8.290 nan 0.000 0.554 79 S N -0.209 115.460 115.700 -0.052 0.000 2.399 79 S HA -0.102 4.369 4.470 0.001 0.000 0.231 79 S C 2.199 176.781 174.600 -0.030 0.000 1.022 79 S CA 2.071 60.246 58.200 -0.041 0.000 0.983 79 S CB -0.689 62.482 63.200 -0.049 0.000 0.803 79 S HN 0.297 nan 8.310 nan 0.000 0.480 80 T N 2.449 116.986 114.554 -0.028 0.000 2.896 80 T HA 0.170 4.521 4.350 0.001 0.000 0.263 80 T C 1.662 176.365 174.700 0.005 0.000 1.050 80 T CA 1.003 63.090 62.100 -0.022 0.000 1.140 80 T CB -0.471 68.387 68.868 -0.018 0.000 0.877 80 T HN 0.347 nan 8.240 nan 0.000 0.457 81 L N 1.286 122.520 121.223 0.018 0.000 1.989 81 L HA -0.104 4.237 4.340 0.001 0.000 0.211 81 L C 2.412 179.330 176.870 0.080 0.000 1.071 81 L CA 1.450 56.327 54.840 0.062 0.000 0.749 81 L CB -0.474 41.611 42.059 0.044 0.000 0.890 81 L HN 0.044 nan 8.230 nan 0.000 0.431 82 V N 0.221 120.161 119.914 0.043 0.000 2.255 82 V HA -0.338 3.783 4.120 0.001 0.000 0.247 82 V C 2.810 178.929 176.094 0.041 0.000 1.051 82 V CA 1.842 64.171 62.300 0.048 0.000 1.018 82 V CB -1.367 30.465 31.823 0.015 0.000 0.641 82 V HN 0.627 nan 8.190 nan 0.000 0.445 83 A N 0.637 123.460 122.820 0.006 0.000 1.978 83 A HA -0.235 4.086 4.320 0.001 0.000 0.220 83 A C 2.555 180.116 177.584 -0.039 0.000 1.170 83 A CA 2.453 54.475 52.037 -0.026 0.000 0.636 83 A CB -0.729 18.234 19.000 -0.061 0.000 0.810 83 A HN 0.716 nan 8.150 nan 0.000 0.448 84 S N -0.459 115.231 115.700 -0.017 0.000 2.355 84 S HA -0.115 4.355 4.470 0.001 0.000 0.222 84 S C 1.787 176.373 174.600 -0.023 0.000 1.031 84 S CA 1.373 59.539 58.200 -0.055 0.000 0.993 84 S CB -1.013 62.200 63.200 0.021 0.000 0.859 84 S HN 0.262 nan 8.310 nan 0.000 0.453 85 V N 2.706 122.692 119.914 0.120 0.000 2.255 85 V HA -0.166 3.955 4.120 0.001 0.000 0.247 85 V C 2.689 178.839 176.094 0.094 0.000 1.051 85 V CA 2.081 64.482 62.300 0.168 0.000 1.018 85 V CB -1.005 30.938 31.823 0.201 0.000 0.641 85 V HN 0.476 nan 8.190 nan 0.000 0.445 86 L N -0.060 121.222 121.223 0.099 0.000 2.012 86 L HA -0.219 4.122 4.340 0.001 0.000 0.210 86 L C 2.775 179.723 176.870 0.131 0.000 1.073 86 L CA 1.778 56.716 54.840 0.163 0.000 0.748 86 L CB -0.936 41.186 42.059 0.105 0.000 0.891 86 L HN 0.399 nan 8.230 nan 0.000 0.431 87 A N 0.240 123.067 122.820 0.012 0.000 1.858 87 A HA -0.216 4.105 4.320 0.001 0.000 0.216 87 A C 2.115 179.669 177.584 -0.049 0.000 1.190 87 A CA 1.969 53.985 52.037 -0.035 0.000 0.617 87 A CB -0.606 18.319 19.000 -0.125 0.000 0.827 87 A HN 0.456 nan 8.150 nan 0.000 0.443 88 N N -0.299 118.319 118.700 -0.136 0.000 2.062 88 N HA -0.159 4.582 4.740 0.001 0.000 0.191 88 N C 1.814 177.284 175.510 -0.067 0.000 1.042 88 N CA 1.547 54.495 53.050 -0.170 0.000 0.845 88 N CB -0.434 37.819 38.487 -0.390 0.000 1.024 88 N HN 0.595 nan 8.380 nan 0.000 0.424 89 K N 0.563 120.929 120.400 -0.057 0.000 2.089 89 K HA -0.169 4.152 4.320 0.001 0.000 0.210 89 K C 0.698 177.118 176.600 -0.299 0.000 1.048 89 K CA 1.412 57.594 56.287 -0.174 0.000 0.926 89 K CB -0.057 32.302 32.500 -0.236 0.000 0.714 89 K HN 0.397 nan 8.250 nan 0.000 0.448 90 H N -0.083 118.981 119.070 -0.010 0.000 2.507 90 H HA 0.132 4.689 4.556 0.001 0.000 0.294 90 H C -0.367 174.952 175.328 -0.015 0.000 1.064 90 H CA -0.052 55.989 56.048 -0.011 0.000 1.138 90 H CB -0.141 29.613 29.762 -0.014 0.000 1.515 90 H HN 0.332 nan 8.280 nan 0.000 0.547 91 N N 0.900 119.626 118.700 0.045 0.000 2.702 91 N HA -0.191 4.550 4.740 0.001 0.000 0.255 91 N C 0.011 175.548 175.510 0.045 0.000 0.983 91 N CA 0.412 53.477 53.050 0.025 0.000 0.768 91 N CB -0.614 37.881 38.487 0.013 0.000 0.918 91 N HN 0.129 nan 8.380 nan 0.000 0.540 92 V N 0.845 120.795 119.914 0.061 0.000 2.405 92 V HA 0.130 4.251 4.120 0.001 0.000 0.264 92 V C 0.663 176.834 176.094 0.128 0.000 1.048 92 V CA -0.514 61.826 62.300 0.067 0.000 0.966 92 V CB 0.470 32.318 31.823 0.041 0.000 1.015 92 V HN 0.256 nan 8.190 nan 0.000 0.477 93 E N 7.132 127.399 120.200 0.111 0.000 2.318 93 E HA 0.626 4.977 4.350 0.001 0.000 0.265 93 E C -0.718 176.019 176.600 0.228 0.000 1.069 93 E CA -0.650 55.825 56.400 0.125 0.000 0.893 93 E CB 1.363 31.052 29.700 -0.019 0.000 1.076 93 E HN 0.720 nan 8.360 nan 0.000 0.414 94 F N -1.975 117.943 119.950 -0.052 0.000 2.613 94 F HA 0.439 4.966 4.527 0.002 0.000 0.314 94 F C -0.545 175.237 175.800 -0.030 0.000 1.075 94 F CA -1.592 56.382 58.000 -0.043 0.000 0.945 94 F CB 1.337 40.309 39.000 -0.048 0.000 1.310 94 F HN 0.144 nan 8.300 nan 0.000 0.467 95 Q N 1.795 121.650 119.800 0.092 0.000 2.259 95 Q HA 0.555 4.896 4.340 0.001 0.000 0.249 95 Q C -0.289 175.749 176.000 0.064 0.000 0.914 95 Q CA -0.053 55.760 55.803 0.016 0.000 0.904 95 Q CB 1.969 30.733 28.738 0.044 0.000 1.213 95 Q HN 0.983 nan 8.270 nan 0.000 0.428 96 T N -2.373 112.178 114.554 -0.004 0.000 2.816 96 T HA 0.388 4.738 4.350 0.001 0.000 0.299 96 T C 0.653 175.356 174.700 0.006 0.000 1.230 96 T CA -0.871 61.246 62.100 0.028 0.000 1.007 96 T CB 1.222 70.093 68.868 0.005 0.000 1.289 96 T HN 0.429 nan 8.240 nan 0.000 0.508 97 K N 0.270 120.681 120.400 0.018 0.000 2.113 97 K HA -0.126 4.195 4.320 0.001 0.000 0.208 97 K C 1.245 177.840 176.600 -0.008 0.000 1.047 97 K CA 1.919 58.210 56.287 0.008 0.000 0.928 97 K CB -0.166 32.341 32.500 0.012 0.000 0.716 97 K HN 0.655 nan 8.250 nan 0.000 0.446 98 E N -0.086 120.103 120.200 -0.018 0.000 2.494 98 E HA 0.109 4.460 4.350 0.001 0.000 0.193 98 E C 0.485 177.054 176.600 -0.053 0.000 1.074 98 E CA 0.245 56.626 56.400 -0.030 0.000 0.867 98 E CB 0.498 30.180 29.700 -0.030 0.000 0.924 98 E HN 0.408 nan 8.360 nan 0.000 0.502 99 G N -0.444 108.321 108.800 -0.058 0.000 2.610 99 G HA2 -0.229 3.732 3.960 0.001 0.000 0.304 99 G HA3 -0.229 3.732 3.960 0.001 0.000 0.304 99 G C -0.386 174.432 174.900 -0.137 0.000 1.309 99 G CA -0.664 44.389 45.100 -0.077 0.000 0.906 99 G HN 0.085 nan 8.290 nan 0.000 0.521 100 V N 1.804 121.631 119.914 -0.145 0.000 2.655 100 V HA 0.451 4.572 4.120 0.001 0.000 0.300 100 V C 0.434 176.335 176.094 -0.322 0.000 1.044 100 V CA 0.090 62.257 62.300 -0.221 0.000 1.095 100 V CB 1.221 32.954 31.823 -0.151 0.000 0.952 100 V HN 0.698 nan 8.190 nan 0.000 0.485 101 K N 3.282 123.332 120.400 -0.584 0.000 2.318 101 K HA 0.535 4.855 4.320 0.001 0.000 0.249 101 K C -0.906 175.362 176.600 -0.553 0.000 0.942 101 K CA -0.934 54.959 56.287 -0.657 0.000 0.808 101 K CB 2.071 33.959 32.500 -1.019 0.000 1.189 101 K HN 0.488 nan 8.250 nan 0.000 0.428 102 Q N 2.291 121.906 119.800 -0.308 0.000 2.290 102 Q HA 0.373 4.714 4.340 0.001 0.000 0.259 102 Q C -2.115 173.828 176.000 -0.094 0.000 0.941 102 Q CA -2.030 53.680 55.803 -0.155 0.000 0.912 102 Q CB 1.103 29.767 28.738 -0.123 0.000 1.244 102 Q HN 0.354 nan 8.270 nan 0.000 0.441 103 P HA 0.041 nan 4.420 nan 0.000 0.270 103 P C -0.622 176.564 177.300 -0.191 0.000 1.227 103 P CA 0.013 63.109 63.100 -0.006 0.000 0.788 103 P CB 0.681 32.364 31.700 -0.027 0.000 0.926 104 N N -1.607 116.912 118.700 -0.302 0.000 3.261 104 N HA 0.190 4.931 4.740 0.001 0.000 0.248 104 N C -1.626 173.685 175.510 -0.333 0.000 1.498 104 N CA -0.763 52.095 53.050 -0.320 0.000 0.884 104 N CB 0.019 38.231 38.487 -0.458 0.000 1.428 104 N HN 0.228 nan 8.380 nan 0.000 0.517 105 Y N -0.367 119.983 120.300 0.082 0.000 2.764 105 Y HA 0.450 5.001 4.550 0.001 0.000 0.350 105 Y C -0.448 175.606 175.900 0.257 0.000 0.982 105 Y CA -0.805 57.364 58.100 0.115 0.000 1.431 105 Y CB 0.061 38.556 38.460 0.058 0.000 1.326 105 Y HN 0.325 nan 8.280 nan 0.000 0.550 106 F N 1.263 121.273 119.950 0.099 0.000 2.608 106 F HA 0.314 4.841 4.527 0.001 0.000 0.380 106 F C 1.393 177.239 175.800 0.075 0.000 1.083 106 F CA 0.712 58.755 58.000 0.071 0.000 1.266 106 F CB 0.482 39.509 39.000 0.044 0.000 1.076 106 F HN 0.493 nan 8.300 nan 0.000 0.574 107 G N 1.877 110.778 108.800 0.168 0.000 2.232 107 G HA2 -0.230 3.731 3.960 0.001 0.000 0.226 107 G HA3 -0.230 3.731 3.960 0.001 0.000 0.226 107 G C 0.360 175.326 174.900 0.110 0.000 0.996 107 G CA 0.068 45.239 45.100 0.119 0.000 0.626 107 G HN 0.841 nan 8.290 nan 0.000 0.509 108 S N 0.704 116.474 115.700 0.116 0.000 2.465 108 S HA 0.567 5.038 4.470 0.001 0.000 0.279 108 S C 1.627 176.218 174.600 -0.014 0.000 1.201 108 S CA 0.508 58.741 58.200 0.055 0.000 1.053 108 S CB 0.705 63.930 63.200 0.041 0.000 0.953 108 S HN 0.476 nan 8.310 nan 0.000 0.488 109 M N 4.861 124.434 119.600 -0.044 0.000 2.117 109 M HA -0.112 4.369 4.480 0.001 0.000 0.262 109 M C 2.070 178.130 176.300 -0.400 0.000 1.065 109 M CA 2.432 57.615 55.300 -0.195 0.000 1.114 109 M CB -0.840 31.629 32.600 -0.218 0.000 1.361 109 M HN 0.871 nan 8.290 nan 0.000 0.408 110 T N -2.064 112.239 114.554 -0.419 0.000 2.867 110 T HA -0.128 4.223 4.350 0.001 0.000 0.268 110 T C 1.636 176.294 174.700 -0.070 0.000 1.057 110 T CA 1.333 63.229 62.100 -0.341 0.000 1.136 110 T CB -0.206 68.542 68.868 -0.200 0.000 0.874 110 T HN 0.388 nan 8.240 nan 0.000 0.466 111 Q N -0.308 119.441 119.800 -0.084 0.000 2.259 111 Q HA 0.313 4.654 4.340 0.001 0.000 0.201 111 Q C 1.813 177.842 176.000 0.048 0.000 0.938 111 Q CA 0.782 56.574 55.803 -0.018 0.000 0.872 111 Q CB -0.065 28.645 28.738 -0.047 0.000 0.971 111 Q HN 0.649 nan 8.270 nan 0.000 0.494 112 C N -0.542 118.776 119.300 0.029 0.000 3.243 112 C HA 0.465 4.926 4.460 0.001 0.000 0.286 112 C C 0.915 175.885 174.990 -0.032 0.000 1.373 112 C CA -0.634 58.394 59.018 0.015 0.000 1.749 112 C CB -0.322 27.417 27.740 -0.001 0.000 2.313 112 C HN 0.300 nan 8.230 nan 0.000 0.644 113 S N 1.168 116.855 115.700 -0.022 0.000 2.690 113 S HA 0.728 5.199 4.470 0.001 0.000 0.291 113 S C -0.022 174.624 174.600 0.076 0.000 1.138 113 S CA 0.102 58.294 58.200 -0.013 0.000 1.013 113 S CB 1.140 64.302 63.200 -0.063 0.000 1.053 113 S HN 0.559 nan 8.310 nan 0.000 0.539 114 T N 0.677 115.275 114.554 0.074 0.000 2.901 114 T HA 0.721 5.072 4.350 0.001 0.000 0.293 114 T C -0.838 173.976 174.700 0.190 0.000 1.084 114 T CA -0.883 61.292 62.100 0.125 0.000 1.008 114 T CB 0.800 69.717 68.868 0.082 0.000 1.170 114 T HN 0.553 nan 8.240 nan 0.000 0.509 115 L N 0.641 121.991 121.223 0.211 0.000 2.323 115 L HA 0.626 4.967 4.340 0.001 0.000 0.265 115 L C -0.144 176.830 176.870 0.172 0.000 1.012 115 L CA -1.386 53.568 54.840 0.190 0.000 0.820 115 L CB 2.123 44.187 42.059 0.009 0.000 1.334 115 L HN 0.543 nan 8.230 nan 0.000 0.427 116 K N 2.095 122.488 120.400 -0.012 0.000 2.284 116 K HA 0.291 4.612 4.320 0.001 0.000 0.287 116 K C 0.438 176.890 176.600 -0.247 0.000 1.081 116 K CA 0.045 56.068 56.287 -0.441 0.000 0.910 116 K CB 0.945 33.179 32.500 -0.443 0.000 1.088 116 K HN 0.602 nan 8.250 nan 0.000 0.478 117 L N 2.179 123.261 121.223 -0.236 0.000 2.249 117 L HA 0.118 4.459 4.340 0.001 0.000 0.207 117 L C 1.271 178.060 176.870 -0.137 0.000 1.090 117 L CA 0.677 55.430 54.840 -0.146 0.000 0.802 117 L CB 0.113 42.108 42.059 -0.107 0.000 0.947 117 L HN 0.898 nan 8.230 nan 0.000 0.453 118 G N -0.144 108.549 108.800 -0.177 0.000 2.398 118 G HA2 0.174 4.135 3.960 0.001 0.000 0.251 118 G HA3 0.174 4.135 3.960 0.001 0.000 0.251 118 G C -1.598 173.218 174.900 -0.140 0.000 1.277 118 G CA -0.302 44.717 45.100 -0.135 0.000 0.927 118 G HN 0.013 nan 8.290 nan 0.000 0.477 119 I N -0.821 119.696 120.570 -0.089 0.000 2.797 119 I HA 0.793 4.964 4.170 0.001 0.000 0.307 119 I C -0.268 175.822 176.117 -0.045 0.000 1.033 119 I CA -0.963 60.296 61.300 -0.069 0.000 1.071 119 I CB 2.135 40.107 38.000 -0.046 0.000 1.255 119 I HN 0.681 nan 8.210 nan 0.000 0.445 120 D N 3.746 124.127 120.400 -0.032 0.000 2.496 120 D HA 0.382 5.023 4.640 0.001 0.000 0.283 120 D C 1.271 177.565 176.300 -0.010 0.000 1.214 120 D CA -0.019 53.970 54.000 -0.019 0.000 1.089 120 D CB 0.359 41.152 40.800 -0.012 0.000 1.141 120 D HN 0.654 nan 8.370 nan 0.000 0.580 121 A N -0.218 122.599 122.820 -0.005 0.000 1.873 121 A HA -0.236 4.085 4.320 0.001 0.000 0.218 121 A C 1.777 179.361 177.584 0.001 0.000 1.193 121 A CA 2.135 54.171 52.037 -0.002 0.000 0.629 121 A CB -0.936 18.064 19.000 -0.000 0.000 0.826 121 A HN 0.653 nan 8.150 nan 0.000 0.447 122 E N -1.142 119.059 120.200 0.002 0.000 2.427 122 E HA 0.173 4.524 4.350 0.001 0.000 0.196 122 E C 1.215 177.818 176.600 0.005 0.000 1.028 122 E CA 0.874 57.277 56.400 0.004 0.000 0.864 122 E CB -0.695 29.009 29.700 0.006 0.000 0.813 122 E HN 1.204 nan 8.360 nan 0.000 0.514 123 G N 1.246 110.047 108.800 0.001 0.000 2.148 123 G HA2 -0.195 3.766 3.960 0.001 0.000 0.203 123 G HA3 -0.195 3.766 3.960 0.001 0.000 0.203 123 G C -0.145 174.753 174.900 -0.002 0.000 0.993 123 G CA -0.187 44.914 45.100 0.001 0.000 0.661 123 G HN 0.199 nan 8.290 nan 0.000 0.518 124 N N 1.373 120.071 118.700 -0.003 0.000 2.515 124 N HA 0.383 5.124 4.740 0.001 0.000 0.279 124 N C -0.505 174.990 175.510 -0.024 0.000 1.164 124 N CA -0.426 52.624 53.050 0.001 0.000 0.982 124 N CB 0.782 39.278 38.487 0.015 0.000 1.170 124 N HN 0.175 nan 8.380 nan 0.000 0.474 125 D N 0.502 120.887 120.400 -0.026 0.000 2.424 125 D HA 0.098 4.739 4.640 0.001 0.000 0.244 125 D C -0.131 176.085 176.300 -0.141 0.000 1.134 125 D CA 0.146 54.069 54.000 -0.129 0.000 0.881 125 D CB 1.050 41.761 40.800 -0.149 0.000 1.191 125 D HN 0.029 nan 8.370 nan 0.000 0.445 126 V N 3.271 123.033 119.914 -0.253 0.000 2.357 126 V HA 0.230 4.351 4.120 0.001 0.000 0.284 126 V C -0.629 175.289 176.094 -0.293 0.000 1.018 126 V CA -0.687 61.517 62.300 -0.160 0.000 0.841 126 V CB 0.366 32.129 31.823 -0.100 0.000 0.991 126 V HN 0.373 nan 8.190 nan 0.000 0.437 127 Y N 2.544 122.836 120.300 -0.013 0.000 2.457 127 Y HA 0.822 5.373 4.550 0.002 0.000 0.333 127 Y C 0.408 176.299 175.900 -0.014 0.000 1.119 127 Y CA -0.506 57.585 58.100 -0.015 0.000 1.143 127 Y CB 2.146 40.599 38.460 -0.011 0.000 1.230 127 Y HN 0.712 nan 8.280 nan 0.000 0.469 128 A N 2.709 125.617 122.820 0.147 0.000 2.539 128 A HA 0.734 5.055 4.320 0.001 0.000 0.296 128 A C -3.090 174.540 177.584 0.076 0.000 1.073 128 A CA -2.179 49.903 52.037 0.075 0.000 0.700 128 A CB 1.339 20.350 19.000 0.018 0.000 1.296 128 A HN 0.442 nan 8.150 nan 0.000 0.405 129 P HA 0.045 nan 4.420 nan 0.000 0.266 129 P C 0.573 177.919 177.300 0.076 0.000 1.186 129 P CA 0.148 63.294 63.100 0.077 0.000 0.767 129 P CB 0.217 31.953 31.700 0.061 0.000 0.820 130 F N 4.156 124.086 119.950 -0.033 0.000 2.091 130 F HA -0.287 4.242 4.527 0.002 0.000 0.299 130 F C 1.836 177.583 175.800 -0.087 0.000 1.103 130 F CA 2.324 60.285 58.000 -0.065 0.000 1.228 130 F CB -0.521 38.436 39.000 -0.072 0.000 0.984 130 F HN 0.416 nan 8.300 nan 0.000 0.477 131 N N -0.515 118.278 118.700 0.155 0.000 2.459 131 N HA -0.149 4.592 4.740 0.001 0.000 0.181 131 N C 1.767 177.263 175.510 -0.025 0.000 1.046 131 N CA 0.869 53.951 53.050 0.053 0.000 0.904 131 N CB -0.556 37.990 38.487 0.097 0.000 0.964 131 N HN 0.378 nan 8.380 nan 0.000 0.444 132 S N 0.601 116.287 115.700 -0.024 0.000 2.419 132 S HA -0.082 4.389 4.470 0.001 0.000 0.233 132 S C 1.736 176.310 174.600 -0.043 0.000 1.016 132 S CA 0.360 58.547 58.200 -0.022 0.000 0.974 132 S CB -0.368 62.828 63.200 -0.007 0.000 0.786 132 S HN 0.097 nan 8.310 nan 0.000 0.492 133 L N 1.275 122.439 121.223 -0.098 0.000 1.899 133 L HA 0.164 4.505 4.340 0.001 0.000 0.223 133 L C 1.683 178.534 176.870 -0.031 0.000 1.088 133 L CA 1.559 56.343 54.840 -0.093 0.000 0.788 133 L CB -1.071 40.880 42.059 -0.180 0.000 0.889 133 L HN 0.338 nan 8.230 nan 0.000 0.431 134 L N -0.695 120.514 121.223 -0.024 0.000 2.642 134 L HA 0.301 4.642 4.340 0.001 0.000 0.229 134 L C -2.078 174.867 176.870 0.125 0.000 1.179 134 L CA -1.680 53.219 54.840 0.098 0.000 0.834 134 L CB -0.045 42.155 42.059 0.236 0.000 1.515 134 L HN 0.135 nan 8.230 nan 0.000 0.512 135 P HA 0.427 nan 4.420 nan 0.000 0.303 135 P C -1.465 175.976 177.300 0.235 0.000 1.350 135 P CA -0.421 62.768 63.100 0.149 0.000 0.880 135 P CB 1.841 33.605 31.700 0.106 0.000 1.018 136 M N 1.516 121.225 119.600 0.181 0.000 2.572 136 M HA 0.377 4.858 4.480 0.001 0.000 0.299 136 M C -0.410 175.965 176.300 0.126 0.000 1.205 136 M CA -1.240 54.193 55.300 0.222 0.000 0.876 136 M CB 2.681 35.388 32.600 0.178 0.000 1.728 136 M HN -0.028 nan 8.290 nan 0.000 0.458 137 V N 1.026 121.022 119.914 0.138 0.000 2.614 137 V HA 0.224 4.344 4.120 0.001 0.000 0.291 137 V C 0.340 176.418 176.094 -0.026 0.000 1.049 137 V CA -0.362 61.990 62.300 0.087 0.000 1.038 137 V CB 1.277 33.202 31.823 0.169 0.000 0.980 137 V HN 0.906 nan 8.190 nan 0.000 0.481 138 S N 5.736 121.363 115.700 -0.121 0.000 2.584 138 S HA 0.328 4.799 4.470 0.001 0.000 0.273 138 S C -1.115 173.082 174.600 -0.671 0.000 1.311 138 S CA -1.294 56.730 58.200 -0.292 0.000 1.034 138 S CB 1.237 64.323 63.200 -0.190 0.000 0.939 138 S HN 0.697 nan 8.310 nan 0.000 0.513 139 P HA -0.005 nan 4.420 nan 0.000 0.237 139 P C 0.461 177.234 177.300 -0.879 0.000 1.178 139 P CA 0.579 62.600 63.100 -1.799 0.000 0.766 139 P CB 0.016 30.964 31.700 -1.253 0.000 0.876 140 N N 0.367 118.813 118.700 -0.424 0.000 2.457 140 N HA -0.047 4.694 4.740 0.001 0.000 0.180 140 N C 0.603 176.043 175.510 -0.116 0.000 1.050 140 N CA 0.870 53.836 53.050 -0.140 0.000 0.906 140 N CB -0.080 38.367 38.487 -0.067 0.000 0.968 140 N HN 0.241 nan 8.380 nan 0.000 0.445 141 D N -0.205 120.098 120.400 -0.163 0.000 2.388 141 D HA 0.091 4.732 4.640 0.001 0.000 0.221 141 D C -0.062 176.351 176.300 0.188 0.000 1.133 141 D CA -0.065 53.933 54.000 -0.004 0.000 0.831 141 D CB -0.027 40.773 40.800 0.000 0.000 0.962 141 D HN 0.174 nan 8.370 nan 0.000 0.502 142 F N 0.885 120.850 119.950 0.024 0.000 2.396 142 F HA 0.241 4.769 4.527 0.001 0.000 0.343 142 F C 0.639 176.475 175.800 0.060 0.000 1.104 142 F CA -0.709 57.315 58.000 0.040 0.000 1.161 142 F CB 1.604 40.624 39.000 0.035 0.000 1.146 142 F HN -0.347 nan 8.300 nan 0.000 0.522 143 V N 5.255 125.330 119.914 0.268 0.000 2.350 143 V HA 0.241 4.362 4.120 0.001 0.000 0.285 143 V C -0.525 175.732 176.094 0.271 0.000 1.014 143 V CA -0.638 61.794 62.300 0.219 0.000 0.831 143 V CB 1.658 33.566 31.823 0.141 0.000 1.000 143 V HN 0.484 nan 8.190 nan 0.000 0.433 144 V N 5.073 125.095 119.914 0.180 0.000 2.513 144 V HA 0.898 5.019 4.120 0.001 0.000 0.299 144 V C -0.105 175.947 176.094 -0.071 0.000 1.035 144 V CA 0.456 62.782 62.300 0.044 0.000 0.889 144 V CB 2.073 33.903 31.823 0.011 0.000 0.988 144 V HN 0.932 nan 8.190 nan 0.000 0.440 145 S N 3.657 119.147 115.700 -0.350 0.000 2.880 145 S HA 1.027 5.498 4.470 0.001 0.000 0.308 145 S C -0.318 173.910 174.600 -0.620 0.000 1.195 145 S CA 0.141 58.026 58.200 -0.525 0.000 0.866 145 S CB 1.494 64.168 63.200 -0.877 0.000 1.254 145 S HN 2.213 nan 8.310 nan 0.000 0.571 146 G N -0.404 107.931 108.800 -0.776 0.000 2.359 146 G HA2 0.232 4.193 3.960 0.001 0.000 0.293 146 G HA3 0.232 4.193 3.960 0.001 0.000 0.293 146 G C -2.003 172.469 174.900 -0.712 0.000 1.300 146 G CA -0.694 43.897 45.100 -0.849 0.000 0.888 146 G HN 0.570 nan 8.290 nan 0.000 0.541 147 W N -0.099 121.119 121.300 -0.137 0.000 2.578 147 W HA 0.736 5.397 4.660 0.001 0.000 0.353 147 W C -0.723 175.696 176.519 -0.166 0.000 1.088 147 W CA -0.184 57.109 57.345 -0.086 0.000 1.235 147 W CB 2.193 31.690 29.460 0.062 0.000 1.362 147 W HN 0.576 nan 8.180 nan 0.000 0.592 148 D N 0.755 121.228 120.400 0.122 0.000 2.711 148 D HA 0.076 4.717 4.640 0.001 0.000 0.204 148 D C 0.609 176.907 176.300 -0.004 0.000 1.257 148 D CA -0.407 53.585 54.000 -0.013 0.000 0.808 148 D CB 1.492 42.251 40.800 -0.067 0.000 1.780 148 D HN 0.384 nan 8.370 nan 0.000 0.537 149 I N 0.523 121.067 120.570 -0.043 0.000 2.700 149 I HA -0.036 4.135 4.170 0.001 0.000 0.261 149 I C 0.492 176.553 176.117 -0.094 0.000 1.219 149 I CA 0.614 61.871 61.300 -0.071 0.000 1.463 149 I CB -0.214 37.683 38.000 -0.171 0.000 1.092 149 I HN 0.046 nan 8.210 nan 0.000 0.452 150 N N 2.209 120.859 118.700 -0.083 0.000 2.362 150 N HA 0.175 4.916 4.740 0.001 0.000 0.298 150 N C 0.099 175.580 175.510 -0.049 0.000 1.048 150 N CA -0.835 52.171 53.050 -0.073 0.000 0.858 150 N CB 0.979 39.419 38.487 -0.078 0.000 1.218 150 N HN 0.335 nan 8.380 nan 0.000 0.488 151 N N 2.012 120.690 118.700 -0.036 0.000 2.276 151 N HA 0.164 4.904 4.740 0.001 0.000 0.212 151 N C -0.336 175.159 175.510 -0.024 0.000 1.127 151 N CA -0.731 52.303 53.050 -0.026 0.000 0.834 151 N CB 0.444 38.923 38.487 -0.014 0.000 1.014 151 N HN 0.397 nan 8.380 nan 0.000 0.491 152 A N 1.735 124.537 122.820 -0.030 0.000 2.511 152 A HA 0.061 4.382 4.320 0.001 0.000 0.242 152 A C 0.177 177.750 177.584 -0.017 0.000 1.069 152 A CA -0.354 51.670 52.037 -0.022 0.000 0.763 152 A CB 0.001 18.982 19.000 -0.033 0.000 1.001 152 A HN 0.671 nan 8.150 nan 0.000 0.498 153 D N 1.362 121.764 120.400 0.003 0.000 2.364 153 D HA 0.070 4.711 4.640 0.001 0.000 0.236 153 D C 0.492 176.802 176.300 0.017 0.000 1.221 153 D CA -0.437 53.571 54.000 0.013 0.000 0.891 153 D CB 0.306 41.129 40.800 0.039 0.000 1.190 153 D HN 0.173 nan 8.370 nan 0.000 0.449 154 L N 0.646 121.879 121.223 0.016 0.000 2.456 154 L HA -0.044 4.297 4.340 0.001 0.000 0.224 154 L C 1.524 178.425 176.870 0.052 0.000 1.148 154 L CA 1.054 55.901 54.840 0.011 0.000 0.825 154 L CB -1.379 40.678 42.059 -0.004 0.000 0.937 154 L HN 0.561 nan 8.230 nan 0.000 0.450 155 Y N 0.746 121.018 120.300 -0.046 0.000 2.130 155 Y HA -0.190 4.361 4.550 0.003 0.000 0.287 155 Y C 2.296 178.173 175.900 -0.039 0.000 1.124 155 Y CA 1.710 59.781 58.100 -0.048 0.000 1.118 155 Y CB -0.284 38.148 38.460 -0.047 0.000 0.994 155 Y HN 0.303 nan 8.280 nan 0.000 0.497 156 E N 0.439 120.576 120.200 -0.106 0.000 2.097 156 E HA -0.269 4.082 4.350 0.001 0.000 0.196 156 E C 2.324 178.828 176.600 -0.159 0.000 1.000 156 E CA 1.262 57.546 56.400 -0.192 0.000 0.804 156 E CB -0.434 29.233 29.700 -0.055 0.000 0.740 156 E HN 0.572 nan 8.360 nan 0.000 0.454 157 A N 1.229 123.992 122.820 -0.095 0.000 1.933 157 A HA -0.202 4.119 4.320 0.001 0.000 0.218 157 A C 2.146 179.669 177.584 -0.101 0.000 1.175 157 A CA 1.502 53.489 52.037 -0.083 0.000 0.628 157 A CB -0.469 18.494 19.000 -0.062 0.000 0.814 157 A HN 0.225 nan 8.150 nan 0.000 0.444 158 M N -1.053 118.474 119.600 -0.121 0.000 2.086 158 M HA -0.225 4.255 4.480 0.001 0.000 0.261 158 M C 2.423 178.627 176.300 -0.160 0.000 1.067 158 M CA 1.877 57.103 55.300 -0.123 0.000 1.116 158 M CB -0.222 32.318 32.600 -0.101 0.000 1.348 158 M HN 0.526 nan 8.290 nan 0.000 0.407 159 Q N -0.507 119.128 119.800 -0.275 0.000 2.061 159 Q HA -0.262 4.078 4.340 0.001 0.000 0.204 159 Q C 2.108 178.027 176.000 -0.136 0.000 0.984 159 Q CA 1.975 57.630 55.803 -0.247 0.000 0.846 159 Q CB -0.264 28.248 28.738 -0.377 0.000 0.902 159 Q HN 0.492 nan 8.270 nan 0.000 0.421 160 R N -0.191 120.232 120.500 -0.127 0.000 2.120 160 R HA -0.084 4.256 4.340 0.001 0.000 0.234 160 R C 1.927 178.194 176.300 -0.055 0.000 1.123 160 R CA 1.514 57.567 56.100 -0.078 0.000 0.975 160 R CB 0.063 30.320 30.300 -0.071 0.000 0.866 160 R HN 0.067 nan 8.270 nan 0.000 0.446 161 S N 0.631 116.294 115.700 -0.061 0.000 2.436 161 S HA -0.044 4.427 4.470 0.001 0.000 0.228 161 S C 0.052 174.632 174.600 -0.035 0.000 1.014 161 S CA 0.598 58.772 58.200 -0.043 0.000 0.950 161 S CB 0.151 63.323 63.200 -0.047 0.000 0.784 161 S HN 0.418 nan 8.310 nan 0.000 0.504 162 Q N -0.266 119.511 119.800 -0.039 0.000 2.453 162 Q HA -0.149 4.192 4.340 0.001 0.000 0.294 162 Q C 0.643 176.631 176.000 -0.019 0.000 1.295 162 Q CA 0.626 56.415 55.803 -0.024 0.000 0.853 162 Q CB -2.149 26.578 28.738 -0.018 0.000 1.193 162 Q HN 0.601 nan 8.270 nan 0.000 0.461 163 V N -3.628 116.269 119.914 -0.027 0.000 3.570 163 V HA 0.263 4.384 4.120 0.001 0.000 0.257 163 V C 0.294 176.370 176.094 -0.030 0.000 1.272 163 V CA 0.272 62.558 62.300 -0.024 0.000 1.079 163 V CB 0.575 32.383 31.823 -0.025 0.000 0.829 163 V HN 0.199 nan 8.190 nan 0.000 0.454 164 L N 1.607 122.802 121.223 -0.046 0.000 2.331 164 L HA 0.609 4.950 4.340 0.001 0.000 0.275 164 L C 0.312 177.153 176.870 -0.048 0.000 1.022 164 L CA -0.705 54.088 54.840 -0.078 0.000 0.812 164 L CB 1.342 43.322 42.059 -0.132 0.000 1.257 164 L HN 0.240 nan 8.230 nan 0.000 0.435 165 E N 1.365 121.533 120.200 -0.053 0.000 2.568 165 E HA -0.214 4.137 4.350 0.001 0.000 0.262 165 E C 0.450 177.081 176.600 0.052 0.000 0.961 165 E CA 0.542 56.966 56.400 0.040 0.000 0.945 165 E CB 0.411 30.179 29.700 0.114 0.000 0.924 165 E HN 0.518 nan 8.360 nan 0.000 0.467 166 Y N 3.784 124.087 120.300 0.005 0.000 2.207 166 Y HA -0.293 4.258 4.550 0.001 0.000 0.287 166 Y C 1.899 177.818 175.900 0.032 0.000 1.156 166 Y CA 2.532 60.639 58.100 0.012 0.000 1.182 166 Y CB 0.053 38.524 38.460 0.018 0.000 0.979 166 Y HN 0.650 nan 8.280 nan 0.000 0.521 167 D N -0.291 120.143 120.400 0.058 0.000 2.117 167 D HA -0.204 4.437 4.640 0.001 0.000 0.198 167 D C 2.336 178.591 176.300 -0.076 0.000 0.982 167 D CA 1.236 55.223 54.000 -0.022 0.000 0.828 167 D CB -0.396 40.483 40.800 0.132 0.000 0.967 167 D HN 0.418 nan 8.370 nan 0.000 0.464 168 L N 0.295 121.480 121.223 -0.063 0.000 2.012 168 L HA -0.204 4.137 4.340 0.001 0.000 0.210 168 L C 2.228 178.977 176.870 -0.202 0.000 1.073 168 L CA 1.631 56.335 54.840 -0.227 0.000 0.748 168 L CB -0.564 41.075 42.059 -0.699 0.000 0.891 168 L HN 0.265 nan 8.230 nan 0.000 0.431 169 Q N -0.878 118.807 119.800 -0.192 0.000 2.152 169 Q HA -0.266 4.075 4.340 0.001 0.000 0.206 169 Q C 2.160 178.108 176.000 -0.087 0.000 0.985 169 Q CA 1.677 57.405 55.803 -0.124 0.000 0.863 169 Q CB 0.048 28.716 28.738 -0.117 0.000 0.904 169 Q HN 0.579 nan 8.270 nan 0.000 0.422 170 Q N 0.036 119.681 119.800 -0.260 0.000 2.049 170 Q HA -0.062 4.279 4.340 0.001 0.000 0.198 170 Q C 1.938 177.838 176.000 -0.166 0.000 0.971 170 Q CA 1.085 56.745 55.803 -0.238 0.000 0.833 170 Q CB -0.218 28.287 28.738 -0.388 0.000 0.896 170 Q HN 0.340 nan 8.270 nan 0.000 0.434 171 R N 0.245 120.664 120.500 -0.135 0.000 2.159 171 R HA -0.052 4.289 4.340 0.001 0.000 0.237 171 R C 1.932 178.168 176.300 -0.106 0.000 1.131 171 R CA 0.794 56.835 56.100 -0.098 0.000 0.982 171 R CB -0.127 30.142 30.300 -0.051 0.000 0.868 171 R HN 0.229 nan 8.270 nan 0.000 0.453 172 L N 0.038 121.197 121.223 -0.106 0.000 2.640 172 L HA 0.078 4.419 4.340 0.001 0.000 0.230 172 L C 2.197 179.001 176.870 -0.111 0.000 1.123 172 L CA 0.026 54.809 54.840 -0.094 0.000 0.900 172 L CB -0.123 41.896 42.059 -0.068 0.000 1.146 172 L HN 0.094 nan 8.230 nan 0.000 0.484 173 K N 1.617 121.906 120.400 -0.184 0.000 2.034 173 K HA -0.276 4.045 4.320 0.001 0.000 0.214 173 K C 2.128 178.499 176.600 -0.382 0.000 1.051 173 K CA 1.991 57.999 56.287 -0.464 0.000 0.931 173 K CB -0.077 31.973 32.500 -0.750 0.000 0.715 173 K HN 0.275 nan 8.250 nan 0.000 0.446 174 A N 1.324 123.982 122.820 -0.270 0.000 1.873 174 A HA -0.241 4.080 4.320 0.001 0.000 0.218 174 A C 1.992 179.488 177.584 -0.145 0.000 1.193 174 A CA 2.202 54.121 52.037 -0.197 0.000 0.629 174 A CB -0.489 18.417 19.000 -0.157 0.000 0.826 174 A HN 0.412 nan 8.150 nan 0.000 0.447 175 K N -1.323 119.000 120.400 -0.128 0.000 2.116 175 K HA 0.046 4.367 4.320 0.001 0.000 0.203 175 K C 2.032 178.599 176.600 -0.056 0.000 1.052 175 K CA 1.102 57.333 56.287 -0.094 0.000 0.952 175 K CB -0.199 32.236 32.500 -0.108 0.000 0.729 175 K HN 0.367 nan 8.250 nan 0.000 0.446 176 M N 0.777 120.348 119.600 -0.047 0.000 2.229 176 M HA -0.074 4.406 4.480 0.001 0.000 0.264 176 M C 2.037 178.348 176.300 0.019 0.000 1.063 176 M CA 1.360 56.664 55.300 0.007 0.000 1.114 176 M CB -0.703 31.936 32.600 0.066 0.000 1.387 176 M HN -0.016 nan 8.290 nan 0.000 0.420 177 S N 1.105 116.789 115.700 -0.027 0.000 2.399 177 S HA -0.029 4.442 4.470 0.001 0.000 0.231 177 S C 1.990 176.582 174.600 -0.014 0.000 1.022 177 S CA 0.889 59.081 58.200 -0.014 0.000 0.983 177 S CB -0.317 62.827 63.200 -0.094 0.000 0.803 177 S HN 0.449 nan 8.310 nan 0.000 0.480 178 L N 1.340 122.546 121.223 -0.029 0.000 2.131 178 L HA -0.030 4.311 4.340 0.001 0.000 0.210 178 L C 0.485 177.347 176.870 -0.013 0.000 1.092 178 L CA 0.478 55.305 54.840 -0.022 0.000 0.759 178 L CB -0.771 41.274 42.059 -0.024 0.000 0.903 178 L HN 0.118 nan 8.230 nan 0.000 0.435 179 V N 1.405 121.313 119.914 -0.010 0.000 2.439 179 V HA 0.096 4.217 4.120 0.001 0.000 0.271 179 V C 0.155 176.234 176.094 -0.025 0.000 1.040 179 V CA -0.098 62.191 62.300 -0.018 0.000 1.002 179 V CB 0.563 32.375 31.823 -0.018 0.000 1.000 179 V HN 0.185 nan 8.190 nan 0.000 0.477 180 K N 6.527 126.904 120.400 -0.038 0.000 2.397 180 K HA 0.586 4.907 4.320 0.001 0.000 0.253 180 K C -2.796 173.761 176.600 -0.071 0.000 0.932 180 K CA -1.896 54.367 56.287 -0.041 0.000 0.795 180 K CB 2.214 34.699 32.500 -0.025 0.000 1.159 180 K HN 0.374 nan 8.250 nan 0.000 0.424 181 P HA 0.076 nan 4.420 nan 0.000 0.272 181 P C -0.758 176.492 177.300 -0.084 0.000 1.223 181 P CA -0.276 62.760 63.100 -0.107 0.000 0.784 181 P CB 0.538 32.189 31.700 -0.082 0.000 0.923 182 L N 3.654 124.801 121.223 -0.126 0.000 2.439 182 L HA 0.361 4.702 4.340 0.001 0.000 0.261 182 L C -1.821 175.113 176.870 0.106 0.000 1.153 182 L CA -2.114 52.697 54.840 -0.049 0.000 0.808 182 L CB 0.338 42.291 42.059 -0.178 0.000 1.126 182 L HN 0.272 nan 8.230 nan 0.000 0.460 183 P HA 0.024 nan 4.420 nan 0.000 0.269 183 P C -0.761 176.697 177.300 0.263 0.000 1.209 183 P CA -0.051 63.138 63.100 0.147 0.000 0.776 183 P CB 1.574 33.336 31.700 0.104 0.000 0.876 184 S N 1.654 117.473 115.700 0.198 0.000 2.806 184 S HA 0.591 5.062 4.470 0.001 0.000 0.315 184 S C -0.325 174.333 174.600 0.097 0.000 1.127 184 S CA -1.002 57.335 58.200 0.229 0.000 0.918 184 S CB 0.575 63.915 63.200 0.233 0.000 1.240 184 S HN 0.276 nan 8.310 nan 0.000 0.552 185 I N 3.016 123.626 120.570 0.067 0.000 2.297 185 I HA 0.259 4.430 4.170 0.001 0.000 0.291 185 I C -1.217 174.874 176.117 -0.043 0.000 1.033 185 I CA -0.406 60.815 61.300 -0.133 0.000 1.253 185 I CB 0.623 38.396 38.000 -0.378 0.000 1.396 185 I HN 0.527 nan 8.210 nan 0.000 0.476 186 Y N 8.207 128.449 120.300 -0.098 0.000 2.491 186 Y HA 0.348 4.898 4.550 -0.001 0.000 0.334 186 Y C -1.160 174.865 175.900 0.210 0.000 0.969 186 Y CA -1.184 56.932 58.100 0.026 0.000 1.241 186 Y CB 0.253 38.749 38.460 0.060 0.000 1.105 186 Y HN 0.374 nan 8.280 nan 0.000 0.503 187 Y N 8.817 129.033 120.300 -0.140 0.000 2.700 187 Y HA 0.214 4.764 4.550 -0.000 0.000 0.333 187 Y C -1.312 174.459 175.900 -0.216 0.000 1.036 187 Y CA -2.459 55.581 58.100 -0.102 0.000 1.287 187 Y CB 0.817 39.386 38.460 0.182 0.000 1.132 187 Y HN 0.552 nan 8.280 nan 0.000 0.510 188 P HA -0.271 nan 4.420 nan 0.000 0.221 188 P C 0.841 178.106 177.300 -0.057 0.000 1.141 188 P CA 1.488 64.285 63.100 -0.504 0.000 0.794 188 P CB 0.447 31.871 31.700 -0.460 0.000 0.764 189 D N -1.429 118.968 120.400 -0.006 0.000 2.347 189 D HA -0.027 4.614 4.640 0.001 0.000 0.213 189 D C 0.956 177.113 176.300 -0.239 0.000 0.985 189 D CA 0.455 54.374 54.000 -0.135 0.000 0.879 189 D CB -0.068 40.573 40.800 -0.265 0.000 0.919 189 D HN 0.164 nan 8.370 nan 0.000 0.526 190 F N -0.275 119.716 119.950 0.069 0.000 2.695 190 F HA 0.299 4.827 4.527 0.002 0.000 0.303 190 F C 1.535 177.404 175.800 0.115 0.000 1.091 190 F CA -0.129 57.929 58.000 0.096 0.000 1.300 190 F CB 0.377 39.448 39.000 0.118 0.000 1.071 190 F HN -0.120 nan 8.300 nan 0.000 0.578 191 I N -0.914 119.818 120.570 0.271 0.000 4.900 191 I HA 0.631 4.802 4.170 0.001 0.000 0.220 191 I C -0.028 176.183 176.117 0.156 0.000 0.618 191 I CA -1.035 60.406 61.300 0.235 0.000 2.788 191 I CB -0.019 38.157 38.000 0.294 0.000 1.439 191 I HN -0.256 nan 8.210 nan 0.000 0.519 192 A N 0.185 123.099 122.820 0.156 0.000 2.497 192 A HA 0.668 4.989 4.320 0.001 0.000 0.280 192 A C 0.261 177.914 177.584 0.115 0.000 1.065 192 A CA -0.055 52.043 52.037 0.102 0.000 0.781 192 A CB 1.041 20.082 19.000 0.068 0.000 1.289 192 A HN 0.609 nan 8.150 nan 0.000 0.415 193 A N 2.133 125.012 122.820 0.100 0.000 2.214 193 A HA -0.209 4.112 4.320 0.001 0.000 0.221 193 A C 1.096 178.730 177.584 0.083 0.000 1.167 193 A CA 2.216 54.318 52.037 0.108 0.000 0.670 193 A CB -0.616 18.423 19.000 0.066 0.000 0.797 193 A HN 0.804 nan 8.150 nan 0.000 0.477 194 N N -0.086 118.646 118.700 0.053 0.000 2.362 194 N HA 0.062 4.803 4.740 0.001 0.000 0.204 194 N C 0.368 175.889 175.510 0.019 0.000 1.166 194 N CA 0.302 53.362 53.050 0.018 0.000 0.831 194 N CB 0.419 38.897 38.487 -0.015 0.000 1.008 194 N HN 0.359 nan 8.380 nan 0.000 0.472 195 Q N -0.335 119.500 119.800 0.058 0.000 2.158 195 Q HA 0.169 4.510 4.340 0.001 0.000 0.306 195 Q C -0.414 175.580 176.000 -0.011 0.000 0.878 195 Q CA 0.089 55.911 55.803 0.031 0.000 1.136 195 Q CB 0.832 29.622 28.738 0.087 0.000 1.253 195 Q HN 0.265 nan 8.270 nan 0.000 0.441 196 D N 0.224 120.633 120.400 0.015 0.000 2.388 196 D HA -0.092 4.548 4.640 0.001 0.000 0.208 196 D C 1.725 177.997 176.300 -0.047 0.000 1.035 196 D CA 0.350 54.355 54.000 0.008 0.000 0.875 196 D CB 0.601 41.458 40.800 0.094 0.000 0.984 196 D HN 0.269 nan 8.370 nan 0.000 0.508 197 E N 1.326 121.501 120.200 -0.041 0.000 2.208 197 E HA -0.147 4.204 4.350 0.001 0.000 0.193 197 E C 1.681 178.241 176.600 -0.067 0.000 0.988 197 E CA 0.729 57.105 56.400 -0.040 0.000 0.828 197 E CB -0.053 29.631 29.700 -0.027 0.000 0.763 197 E HN 0.220 nan 8.360 nan 0.000 0.478 198 R N 0.915 121.354 120.500 -0.102 0.000 2.055 198 R HA 0.139 4.480 4.340 0.001 0.000 0.226 198 R C 1.366 177.565 176.300 -0.168 0.000 1.135 198 R CA 0.879 56.905 56.100 -0.123 0.000 0.959 198 R CB -0.342 29.879 30.300 -0.133 0.000 0.854 198 R HN 0.148 nan 8.270 nan 0.000 0.431 199 A N 2.778 125.422 122.820 -0.294 0.000 3.227 199 A HA -0.089 4.232 4.320 0.001 0.000 0.283 199 A C 0.125 177.615 177.584 -0.155 0.000 2.055 199 A CA 0.542 52.359 52.037 -0.367 0.000 1.475 199 A CB -1.398 17.091 19.000 -0.851 0.000 0.905 199 A HN 0.713 nan 8.150 nan 0.000 0.593 200 N N 0.107 118.751 118.700 -0.094 0.000 2.291 200 N HA 0.096 4.837 4.740 0.001 0.000 0.244 200 N C -0.259 175.239 175.510 -0.019 0.000 1.216 200 N CA -0.425 52.603 53.050 -0.038 0.000 0.879 200 N CB 0.333 38.801 38.487 -0.031 0.000 1.167 200 N HN 0.502 nan 8.380 nan 0.000 0.515 201 N N 0.938 119.626 118.700 -0.021 0.000 2.732 201 N HA 0.201 4.942 4.740 0.001 0.000 0.235 201 N C -1.688 173.841 175.510 0.031 0.000 1.466 201 N CA -0.437 52.617 53.050 0.007 0.000 0.751 201 N CB 0.744 39.231 38.487 -0.001 0.000 1.317 201 N HN 0.194 nan 8.380 nan 0.000 0.525 202 C N 1.903 121.232 119.300 0.048 0.000 2.563 202 C HA 0.456 4.917 4.460 0.001 0.000 0.314 202 C C 2.057 177.076 174.990 0.048 0.000 1.199 202 C CA -0.857 58.202 59.018 0.068 0.000 1.564 202 C CB 0.548 28.359 27.740 0.118 0.000 2.173 202 C HN 0.672 nan 8.230 nan 0.000 0.485 203 I N 0.849 121.431 120.570 0.020 0.000 2.400 203 I HA 0.013 4.184 4.170 0.001 0.000 0.248 203 I C 1.148 177.244 176.117 -0.035 0.000 1.109 203 I CA 0.738 62.041 61.300 0.006 0.000 1.425 203 I CB -0.531 37.468 38.000 -0.002 0.000 1.094 203 I HN 0.754 nan 8.210 nan 0.000 0.425 204 N N 4.548 123.139 118.700 -0.182 0.000 2.484 204 N HA 0.112 4.853 4.740 0.001 0.000 0.295 204 N C -0.696 174.813 175.510 -0.002 0.000 1.240 204 N CA 0.540 53.412 53.050 -0.296 0.000 1.085 204 N CB -0.102 38.010 38.487 -0.624 0.000 1.465 204 N HN 0.530 nan 8.380 nan 0.000 0.496 205 L N 0.374 121.639 121.223 0.071 0.000 2.279 205 L HA 0.516 4.857 4.340 0.001 0.000 0.262 205 L C 0.093 177.024 176.870 0.102 0.000 1.019 205 L CA -1.160 53.731 54.840 0.085 0.000 0.823 205 L CB 1.545 43.646 42.059 0.070 0.000 1.358 205 L HN 0.336 nan 8.230 nan 0.000 0.432 206 D N -1.333 119.116 120.400 0.081 0.000 2.723 206 D HA 0.210 4.851 4.640 0.001 0.000 0.247 206 D C 0.340 176.674 176.300 0.056 0.000 1.134 206 D CA -0.482 53.561 54.000 0.072 0.000 1.099 206 D CB 0.556 41.394 40.800 0.064 0.000 1.287 206 D HN 0.237 nan 8.370 nan 0.000 0.634 207 E N -0.643 119.584 120.200 0.046 0.000 2.208 207 E HA 0.012 4.363 4.350 0.001 0.000 0.193 207 E C 1.025 177.646 176.600 0.034 0.000 0.988 207 E CA 0.848 57.270 56.400 0.038 0.000 0.828 207 E CB -0.118 29.600 29.700 0.031 0.000 0.763 207 E HN 0.373 nan 8.360 nan 0.000 0.478 208 K N -0.285 120.136 120.400 0.035 0.000 2.546 208 K HA 0.114 4.435 4.320 0.001 0.000 0.198 208 K C 1.036 177.658 176.600 0.037 0.000 1.028 208 K CA 0.493 56.799 56.287 0.032 0.000 1.150 208 K CB 0.234 32.752 32.500 0.030 0.000 0.876 208 K HN 0.229 nan 8.250 nan 0.000 0.508 209 G N 1.772 110.597 108.800 0.042 0.000 2.451 209 G HA2 -0.325 3.636 3.960 0.001 0.000 0.253 209 G HA3 -0.325 3.636 3.960 0.001 0.000 0.253 209 G C 0.304 175.237 174.900 0.054 0.000 1.033 209 G CA 0.318 45.445 45.100 0.046 0.000 0.633 209 G HN 0.404 nan 8.290 nan 0.000 0.537 210 N N 0.724 119.456 118.700 0.054 0.000 2.329 210 N HA 0.203 4.944 4.740 0.001 0.000 0.237 210 N C 0.850 176.406 175.510 0.076 0.000 1.258 210 N CA 0.528 53.615 53.050 0.063 0.000 0.866 210 N CB 0.846 39.365 38.487 0.053 0.000 1.102 210 N HN 0.236 nan 8.380 nan 0.000 0.440 211 V N 0.808 120.779 119.914 0.096 0.000 2.872 211 V HA 0.095 4.215 4.120 0.001 0.000 0.307 211 V C 0.982 177.128 176.094 0.087 0.000 1.072 211 V CA 0.485 62.852 62.300 0.113 0.000 1.148 211 V CB 1.164 33.091 31.823 0.174 0.000 0.954 211 V HN 0.734 nan 8.190 nan 0.000 0.490 212 T N 1.832 116.443 114.554 0.096 0.000 2.900 212 T HA 0.320 4.671 4.350 0.001 0.000 0.303 212 T C 0.292 175.055 174.700 0.104 0.000 1.142 212 T CA 0.149 62.301 62.100 0.087 0.000 1.007 212 T CB 1.934 70.863 68.868 0.103 0.000 1.156 212 T HN 0.805 nan 8.240 nan 0.000 0.490 213 T N 2.152 116.710 114.554 0.007 0.000 3.105 213 T HA 0.308 4.659 4.350 0.001 0.000 0.253 213 T C 0.396 175.061 174.700 -0.059 0.000 1.047 213 T CA -0.200 61.802 62.100 -0.163 0.000 0.944 213 T CB -0.217 68.490 68.868 -0.269 0.000 1.016 213 T HN 0.322 nan 8.240 nan 0.000 0.544 214 R N 0.575 121.111 120.500 0.061 0.000 2.295 214 R HA 0.511 4.852 4.340 0.001 0.000 0.324 214 R C 0.363 176.686 176.300 0.039 0.000 0.968 214 R CA 0.502 56.622 56.100 0.034 0.000 0.837 214 R CB 0.996 31.308 30.300 0.020 0.000 1.133 214 R HN 0.408 nan 8.270 nan 0.000 0.450 215 G N 3.682 112.430 108.800 -0.086 0.000 2.181 215 G HA2 -0.180 3.781 3.960 0.001 0.000 0.152 215 G HA3 -0.180 3.781 3.960 0.001 0.000 0.152 215 G C 0.708 175.177 174.900 -0.718 0.000 1.026 215 G CA -0.070 44.873 45.100 -0.263 0.000 0.699 215 G HN 0.676 nan 8.290 nan 0.000 0.497 216 K N -0.827 119.368 120.400 -0.341 0.000 2.113 216 K HA -0.136 4.185 4.320 0.001 0.000 0.208 216 K C 1.968 178.493 176.600 -0.126 0.000 1.047 216 K CA 1.533 57.732 56.287 -0.146 0.000 0.928 216 K CB -0.071 32.503 32.500 0.124 0.000 0.716 216 K HN 0.609 nan 8.250 nan 0.000 0.446 217 W N 2.309 123.492 121.300 -0.195 0.000 2.402 217 W HA -0.169 4.492 4.660 0.001 0.000 0.286 217 W C 1.997 178.436 176.519 -0.134 0.000 1.221 217 W CA 2.075 59.344 57.345 -0.127 0.000 1.257 217 W CB -0.158 29.246 29.460 -0.094 0.000 1.120 217 W HN 0.195 nan 8.180 nan 0.000 0.551 218 T N -2.052 112.451 114.554 -0.084 0.000 2.951 218 T HA -0.205 4.146 4.350 0.001 0.000 0.268 218 T C 1.559 176.211 174.700 -0.081 0.000 1.073 218 T CA 1.542 63.598 62.100 -0.074 0.000 1.134 218 T CB -0.675 68.179 68.868 -0.024 0.000 0.884 218 T HN 0.081 nan 8.240 nan 0.000 0.479 219 H N 0.999 120.018 119.070 -0.086 0.000 2.326 219 H HA 0.167 4.723 4.556 0.001 0.000 0.301 219 H C 2.369 177.522 175.328 -0.291 0.000 1.081 219 H CA 1.233 57.196 56.048 -0.142 0.000 1.334 219 H CB -0.940 28.768 29.762 -0.091 0.000 1.385 219 H HN 0.354 nan 8.280 nan 0.000 0.504 220 L N 0.837 121.906 121.223 -0.257 0.000 2.042 220 L HA -0.259 4.082 4.340 0.001 0.000 0.210 220 L C 2.197 178.795 176.870 -0.453 0.000 1.076 220 L CA 1.512 56.075 54.840 -0.461 0.000 0.749 220 L CB -0.227 41.435 42.059 -0.661 0.000 0.893 220 L HN 0.229 nan 8.230 nan 0.000 0.432 221 Q N -0.830 118.700 119.800 -0.451 0.000 2.224 221 Q HA -0.243 4.098 4.340 0.001 0.000 0.203 221 Q C 2.177 178.088 176.000 -0.147 0.000 0.970 221 Q CA 1.230 56.857 55.803 -0.293 0.000 0.865 221 Q CB -0.112 28.502 28.738 -0.206 0.000 0.922 221 Q HN 0.333 nan 8.270 nan 0.000 0.445 222 R N 1.092 121.519 120.500 -0.121 0.000 2.090 222 R HA -0.085 4.256 4.340 0.001 0.000 0.228 222 R C 1.795 178.073 176.300 -0.037 0.000 1.110 222 R CA 1.225 57.299 56.100 -0.044 0.000 0.973 222 R CB -0.320 29.973 30.300 -0.013 0.000 0.869 222 R HN 0.160 nan 8.270 nan 0.000 0.440 223 I N 0.712 121.181 120.570 -0.168 0.000 2.202 223 I HA -0.174 3.997 4.170 0.001 0.000 0.242 223 I C 2.193 178.315 176.117 0.008 0.000 1.091 223 I CA 1.325 62.523 61.300 -0.169 0.000 1.368 223 I CB -1.009 36.626 38.000 -0.608 0.000 1.058 223 I HN 0.214 nan 8.210 nan 0.000 0.410 224 R N 0.417 120.874 120.500 -0.071 0.000 2.094 224 R HA -0.241 4.100 4.340 0.001 0.000 0.239 224 R C 2.387 178.721 176.300 0.058 0.000 1.137 224 R CA 1.833 57.928 56.100 -0.009 0.000 0.943 224 R CB -0.484 29.776 30.300 -0.067 0.000 0.850 224 R HN 0.185 nan 8.270 nan 0.000 0.433 225 R N 1.629 122.153 120.500 0.040 0.000 2.096 225 R HA -0.178 4.163 4.340 0.001 0.000 0.240 225 R C 1.457 177.828 176.300 0.119 0.000 1.139 225 R CA 2.232 58.372 56.100 0.067 0.000 0.952 225 R CB -0.819 29.512 30.300 0.051 0.000 0.854 225 R HN 0.225 nan 8.270 nan 0.000 0.436 226 D N 0.097 120.602 120.400 0.175 0.000 2.133 226 D HA -0.168 4.473 4.640 0.001 0.000 0.195 226 D C 2.007 178.448 176.300 0.236 0.000 0.997 226 D CA 1.897 56.039 54.000 0.236 0.000 0.840 226 D CB -0.168 40.915 40.800 0.472 0.000 0.947 226 D HN 0.388 nan 8.370 nan 0.000 0.452 227 I N 0.791 121.529 120.570 0.280 0.000 2.252 227 I HA -0.269 3.902 4.170 0.001 0.000 0.245 227 I C 2.488 178.740 176.117 0.224 0.000 1.102 227 I CA 1.000 62.470 61.300 0.284 0.000 1.385 227 I CB -0.294 37.864 38.000 0.264 0.000 1.064 227 I HN -0.032 nan 8.210 nan 0.000 0.414 228 Q N 0.615 120.506 119.800 0.151 0.000 2.050 228 Q HA -0.252 4.089 4.340 0.001 0.000 0.202 228 Q C 1.978 178.034 176.000 0.093 0.000 0.980 228 Q CA 2.137 58.001 55.803 0.100 0.000 0.840 228 Q CB -0.407 28.374 28.738 0.072 0.000 0.898 228 Q HN 0.502 nan 8.270 nan 0.000 0.424 229 N N 0.136 118.902 118.700 0.110 0.000 2.104 229 N HA -0.217 4.524 4.740 0.001 0.000 0.190 229 N C 1.513 177.097 175.510 0.124 0.000 1.024 229 N CA 1.049 54.157 53.050 0.096 0.000 0.853 229 N CB -0.175 38.370 38.487 0.096 0.000 1.008 229 N HN 0.180 nan 8.380 nan 0.000 0.424 230 F N 1.561 121.508 119.950 -0.005 0.000 2.075 230 F HA -0.074 4.454 4.527 0.002 0.000 0.297 230 F C 1.907 177.700 175.800 -0.013 0.000 1.113 230 F CA 1.534 59.516 58.000 -0.029 0.000 1.218 230 F CB -0.431 38.536 39.000 -0.056 0.000 0.984 230 F HN 0.012 nan 8.300 nan 0.000 0.472 231 K N 0.004 120.336 120.400 -0.114 0.000 2.009 231 K HA -0.245 4.076 4.320 0.001 0.000 0.210 231 K C 2.187 178.689 176.600 -0.165 0.000 1.049 231 K CA 1.860 58.024 56.287 -0.206 0.000 0.929 231 K CB -0.591 31.884 32.500 -0.042 0.000 0.714 231 K HN 0.443 nan 8.250 nan 0.000 0.440 232 E N 1.600 121.755 120.200 -0.074 0.000 2.017 232 E HA -0.259 4.091 4.350 0.001 0.000 0.193 232 E C 2.157 178.715 176.600 -0.069 0.000 0.997 232 E CA 1.228 57.597 56.400 -0.053 0.000 0.804 232 E CB -0.017 29.674 29.700 -0.014 0.000 0.757 232 E HN 0.306 nan 8.360 nan 0.000 0.448 233 E N 0.312 120.479 120.200 -0.056 0.000 2.136 233 E HA -0.268 4.083 4.350 0.001 0.000 0.202 233 E C 1.267 177.815 176.600 -0.087 0.000 1.019 233 E CA 2.044 58.416 56.400 -0.046 0.000 0.819 233 E CB -0.190 29.509 29.700 -0.003 0.000 0.739 233 E HN 0.310 nan 8.360 nan 0.000 0.458 234 N N -0.646 117.944 118.700 -0.183 0.000 2.299 234 N HA 0.228 4.969 4.740 0.001 0.000 0.187 234 N C -0.373 175.040 175.510 -0.162 0.000 1.099 234 N CA 0.545 53.475 53.050 -0.200 0.000 0.867 234 N CB 0.988 39.254 38.487 -0.367 0.000 0.974 234 N HN 0.291 nan 8.380 nan 0.000 0.477 235 A N 0.503 123.238 122.820 -0.142 0.000 2.648 235 A HA -0.177 4.144 4.320 0.001 0.000 0.297 235 A C -0.520 176.999 177.584 -0.108 0.000 1.467 235 A CA 0.486 52.464 52.037 -0.098 0.000 0.731 235 A CB -2.246 16.716 19.000 -0.064 0.000 1.085 235 A HN 0.245 nan 8.150 nan 0.000 0.437 236 L N -0.195 120.939 121.223 -0.149 0.000 2.333 236 L HA 0.592 4.933 4.340 0.001 0.000 0.269 236 L C 0.829 177.652 176.870 -0.078 0.000 1.010 236 L CA -0.927 53.836 54.840 -0.129 0.000 0.818 236 L CB 1.514 43.441 42.059 -0.219 0.000 1.306 236 L HN 0.418 nan 8.230 nan 0.000 0.430 237 D N -0.283 120.092 120.400 -0.041 0.000 2.431 237 D HA 0.070 4.711 4.640 0.001 0.000 0.227 237 D C 0.045 176.346 176.300 0.001 0.000 1.030 237 D CA 0.494 54.483 54.000 -0.017 0.000 0.897 237 D CB 0.867 41.661 40.800 -0.010 0.000 1.058 237 D HN 0.249 nan 8.370 nan 0.000 0.500 238 K N 1.667 122.072 120.400 0.008 0.000 2.265 238 K HA 0.544 4.865 4.320 0.001 0.000 0.267 238 K C -0.529 176.101 176.600 0.050 0.000 0.994 238 K CA -0.566 55.740 56.287 0.033 0.000 0.860 238 K CB 2.834 35.360 32.500 0.043 0.000 1.099 238 K HN -0.158 nan 8.250 nan 0.000 0.448 239 V N 4.636 124.598 119.914 0.081 0.000 2.841 239 V HA 0.542 4.663 4.120 0.001 0.000 0.310 239 V C -0.440 175.726 176.094 0.120 0.000 1.090 239 V CA -0.880 61.501 62.300 0.134 0.000 0.930 239 V CB 2.483 34.438 31.823 0.220 0.000 1.014 239 V HN 0.596 nan 8.190 nan 0.000 0.425 240 I N 3.430 124.057 120.570 0.095 0.000 2.608 240 I HA 0.616 4.787 4.170 0.001 0.000 0.295 240 I C -1.023 175.144 176.117 0.082 0.000 1.049 240 I CA -1.011 60.338 61.300 0.080 0.000 1.063 240 I CB 2.398 40.406 38.000 0.014 0.000 1.248 240 I HN 0.237 nan 8.210 nan 0.000 0.424 241 V N 6.204 126.199 119.914 0.134 0.000 2.495 241 V HA 0.521 4.642 4.120 0.001 0.000 0.298 241 V C -0.544 175.516 176.094 -0.057 0.000 1.031 241 V CA -0.645 61.745 62.300 0.150 0.000 0.871 241 V CB 2.178 34.237 31.823 0.394 0.000 0.988 241 V HN 0.504 nan 8.190 nan 0.000 0.432 242 L N 4.563 125.724 121.223 -0.104 0.000 2.439 242 L HA 0.548 4.889 4.340 0.001 0.000 0.270 242 L C -1.017 175.752 176.870 -0.168 0.000 0.972 242 L CA -0.334 54.383 54.840 -0.205 0.000 0.836 242 L CB 1.604 43.585 42.059 -0.130 0.000 1.255 242 L HN 0.839 nan 8.230 nan 0.000 0.404 243 W N 5.480 126.536 121.300 -0.407 0.000 2.356 243 W HA 0.305 4.964 4.660 -0.002 0.000 0.311 243 W C -0.594 175.822 176.519 -0.171 0.000 1.328 243 W CA -0.014 57.168 57.345 -0.272 0.000 1.251 243 W CB 1.495 30.811 29.460 -0.240 0.000 1.280 243 W HN 0.644 nan 8.180 nan 0.000 0.524 244 T N 4.625 118.860 114.554 -0.532 0.000 3.967 244 T HA 0.463 4.814 4.350 0.001 0.000 0.262 244 T C -0.639 173.770 174.700 -0.486 0.000 0.966 244 T CA -0.118 61.788 62.100 -0.324 0.000 1.169 244 T CB -0.982 67.774 68.868 -0.188 0.000 1.038 244 T HN 0.499 nan 8.240 nan 0.000 0.541 245 A N 1.521 123.799 122.820 -0.904 0.000 2.350 245 A HA 0.798 5.119 4.320 0.001 0.000 0.318 245 A C 0.046 177.523 177.584 -0.178 0.000 1.132 245 A CA -0.843 50.783 52.037 -0.684 0.000 0.811 245 A CB 0.728 19.009 19.000 -1.197 0.000 1.313 245 A HN 0.492 nan 8.150 nan 0.000 0.454 246 N N 1.422 120.097 118.700 -0.042 0.000 2.225 246 N HA -0.024 4.717 4.740 0.001 0.000 0.257 246 N C 0.190 175.872 175.510 0.287 0.000 1.252 246 N CA 0.840 53.960 53.050 0.117 0.000 0.833 246 N CB 0.114 38.662 38.487 0.103 0.000 1.068 246 N HN 0.644 nan 8.380 nan 0.000 0.468 247 T N 2.492 117.200 114.554 0.256 0.000 2.937 247 T HA 0.004 4.355 4.350 0.001 0.000 0.316 247 T C 0.688 175.538 174.700 0.250 0.000 1.079 247 T CA 0.208 62.468 62.100 0.266 0.000 1.131 247 T CB 0.580 69.564 68.868 0.193 0.000 1.000 247 T HN 0.326 nan 8.240 nan 0.000 0.549 248 E N 0.744 121.064 120.200 0.201 0.000 2.222 248 E HA 0.384 4.735 4.350 0.001 0.000 0.267 248 E C -0.009 176.722 176.600 0.217 0.000 0.963 248 E CA -1.155 55.370 56.400 0.207 0.000 0.837 248 E CB 1.158 30.918 29.700 0.098 0.000 1.183 248 E HN 0.526 nan 8.360 nan 0.000 0.403 249 R N 0.900 121.557 120.500 0.261 0.000 2.590 249 R HA 0.068 4.409 4.340 0.001 0.000 0.274 249 R C -0.889 175.575 176.300 0.272 0.000 1.061 249 R CA -0.144 56.091 56.100 0.225 0.000 1.081 249 R CB 0.028 30.399 30.300 0.120 0.000 0.984 249 R HN 0.406 nan 8.270 nan 0.000 0.448 250 Y N 2.332 122.677 120.300 0.074 0.000 2.597 250 Y HA 0.126 4.682 4.550 0.010 0.000 0.336 250 Y C 0.580 176.529 175.900 0.081 0.000 1.216 250 Y CA 0.219 58.356 58.100 0.061 0.000 1.463 250 Y CB 0.799 39.282 38.460 0.038 0.000 1.303 250 Y HN 0.551 nan 8.280 nan 0.000 0.576 251 V N 1.569 121.536 119.914 0.088 0.000 2.630 251 V HA 0.472 4.593 4.120 0.001 0.000 0.305 251 V C -0.376 175.771 176.094 0.088 0.000 1.046 251 V CA -1.365 61.003 62.300 0.114 0.000 0.934 251 V CB 1.727 33.617 31.823 0.112 0.000 1.003 251 V HN 0.768 nan 8.190 nan 0.000 0.451 252 E N 2.542 122.800 120.200 0.096 0.000 2.259 252 E HA 0.411 4.762 4.350 0.001 0.000 0.281 252 E C -0.959 175.668 176.600 0.044 0.000 1.037 252 E CA -0.612 55.837 56.400 0.081 0.000 0.854 252 E CB 1.655 31.403 29.700 0.079 0.000 1.051 252 E HN 0.709 nan 8.360 nan 0.000 0.409 253 V N 5.206 125.142 119.914 0.036 0.000 2.405 253 V HA 0.146 4.267 4.120 0.001 0.000 0.264 253 V C -0.221 175.882 176.094 0.014 0.000 1.048 253 V CA -0.066 62.241 62.300 0.011 0.000 0.966 253 V CB 0.521 32.355 31.823 0.018 0.000 1.015 253 V HN 0.711 nan 8.190 nan 0.000 0.477 254 S N 6.152 121.850 115.700 -0.004 0.000 2.568 254 S HA 0.749 5.220 4.470 0.001 0.000 0.293 254 S C -3.015 171.582 174.600 -0.005 0.000 1.089 254 S CA -1.934 56.270 58.200 0.008 0.000 0.945 254 S CB 2.227 65.444 63.200 0.029 0.000 1.077 254 S HN 0.413 nan 8.310 nan 0.000 0.485 255 P HA 0.367 nan 4.420 nan 0.000 0.272 255 P C 1.060 178.362 177.300 0.003 0.000 1.230 255 P CA 0.692 63.794 63.100 0.004 0.000 0.788 255 P CB 0.247 31.953 31.700 0.010 0.000 0.949 256 G N -0.189 108.611 108.800 -0.001 0.000 2.196 256 G HA2 -0.286 3.675 3.960 0.001 0.000 0.268 256 G HA3 -0.286 3.675 3.960 0.001 0.000 0.268 256 G C 0.570 175.467 174.900 -0.004 0.000 0.975 256 G CA 0.564 45.666 45.100 0.003 0.000 0.648 256 G HN 0.582 nan 8.290 nan 0.000 0.538 257 V N -0.394 119.496 119.914 -0.040 0.000 3.161 257 V HA 0.354 4.474 4.120 0.001 0.000 0.221 257 V C 1.304 177.317 176.094 -0.135 0.000 1.296 257 V CA 1.642 63.872 62.300 -0.117 0.000 1.306 257 V CB 0.135 31.803 31.823 -0.258 0.000 1.171 257 V HN 0.739 nan 8.190 nan 0.000 0.513 258 N N -0.812 117.821 118.700 -0.112 0.000 2.184 258 N HA 0.069 4.810 4.740 0.001 0.000 0.234 258 N C 0.194 175.680 175.510 -0.040 0.000 1.282 258 N CA 0.498 53.499 53.050 -0.082 0.000 0.877 258 N CB 0.237 38.663 38.487 -0.102 0.000 1.184 258 N HN 0.526 nan 8.380 nan 0.000 0.510 259 D N 1.034 121.417 120.400 -0.028 0.000 2.347 259 D HA -0.069 4.572 4.640 0.001 0.000 0.215 259 D C 0.686 176.984 176.300 -0.003 0.000 0.976 259 D CA 0.985 54.980 54.000 -0.009 0.000 0.884 259 D CB -0.110 40.688 40.800 -0.004 0.000 0.915 259 D HN 0.367 nan 8.370 nan 0.000 0.526 260 T N -3.770 110.779 114.554 -0.008 0.000 2.864 260 T HA 0.414 4.765 4.350 0.001 0.000 0.299 260 T C 0.944 175.639 174.700 -0.008 0.000 1.166 260 T CA -0.764 61.335 62.100 -0.003 0.000 1.007 260 T CB 1.578 70.445 68.868 -0.001 0.000 1.219 260 T HN 0.007 nan 8.240 nan 0.000 0.506 261 M N 0.341 119.937 119.600 -0.008 0.000 2.557 261 M HA 0.069 4.550 4.480 0.001 0.000 0.259 261 M C 1.271 177.557 176.300 -0.023 0.000 1.086 261 M CA 1.076 56.364 55.300 -0.019 0.000 1.096 261 M CB -0.380 32.199 32.600 -0.035 0.000 1.424 261 M HN 0.619 nan 8.290 nan 0.000 0.488 262 E N 1.546 121.734 120.200 -0.020 0.000 2.021 262 E HA -0.083 4.268 4.350 0.001 0.000 0.189 262 E C 1.530 178.118 176.600 -0.021 0.000 0.980 262 E CA 1.165 57.551 56.400 -0.024 0.000 0.803 262 E CB -0.915 28.774 29.700 -0.019 0.000 0.766 262 E HN 0.650 nan 8.360 nan 0.000 0.449 263 N N 1.491 120.180 118.700 -0.018 0.000 2.069 263 N HA -0.143 4.598 4.740 0.001 0.000 0.191 263 N C 2.158 177.659 175.510 -0.016 0.000 1.031 263 N CA 0.745 53.783 53.050 -0.019 0.000 0.852 263 N CB -0.506 37.968 38.487 -0.022 0.000 1.018 263 N HN 0.062 nan 8.380 nan 0.000 0.423 264 L N 1.229 122.443 121.223 -0.015 0.000 1.971 264 L HA -0.162 4.178 4.340 0.001 0.000 0.215 264 L C 1.950 178.846 176.870 0.044 0.000 1.072 264 L CA 1.497 56.334 54.840 -0.005 0.000 0.758 264 L CB -0.742 41.312 42.059 -0.008 0.000 0.889 264 L HN 0.014 nan 8.230 nan 0.000 0.433 265 L N -0.737 120.526 121.223 0.067 0.000 2.265 265 L HA -0.187 4.154 4.340 0.001 0.000 0.215 265 L C 2.467 179.387 176.870 0.084 0.000 1.117 265 L CA 1.450 56.394 54.840 0.173 0.000 0.782 265 L CB -0.827 41.323 42.059 0.152 0.000 0.914 265 L HN 0.455 nan 8.230 nan 0.000 0.441 266 Q N -1.144 118.658 119.800 0.004 0.000 2.123 266 Q HA -0.026 4.315 4.340 0.001 0.000 0.196 266 Q C 2.388 178.395 176.000 0.013 0.000 0.958 266 Q CA 1.490 57.268 55.803 -0.041 0.000 0.841 266 Q CB -0.023 28.687 28.738 -0.047 0.000 0.915 266 Q HN 0.375 nan 8.270 nan 0.000 0.455 267 S N 0.223 115.945 115.700 0.037 0.000 2.382 267 S HA -0.072 4.399 4.470 0.001 0.000 0.228 267 S C 1.779 176.449 174.600 0.117 0.000 1.027 267 S CA 1.108 59.353 58.200 0.075 0.000 0.991 267 S CB -0.263 62.933 63.200 -0.008 0.000 0.823 267 S HN 0.395 nan 8.310 nan 0.000 0.469 268 I N 1.105 121.757 120.570 0.136 0.000 2.493 268 I HA -0.168 4.002 4.170 0.001 0.000 0.254 268 I C 2.152 178.421 176.117 0.254 0.000 1.160 268 I CA 1.127 62.549 61.300 0.203 0.000 1.445 268 I CB -0.192 37.971 38.000 0.272 0.000 1.086 268 I HN 0.244 nan 8.210 nan 0.000 0.433 269 K N 0.557 121.065 120.400 0.179 0.000 2.243 269 K HA -0.003 4.318 4.320 0.001 0.000 0.201 269 K C 1.401 178.013 176.600 0.019 0.000 1.051 269 K CA 0.909 57.227 56.287 0.052 0.000 0.970 269 K CB -0.080 32.288 32.500 -0.221 0.000 0.755 269 K HN 0.438 nan 8.250 nan 0.000 0.465 270 N N 0.670 119.390 118.700 0.035 0.000 2.422 270 N HA -0.061 4.680 4.740 0.001 0.000 0.181 270 N C -0.677 174.853 175.510 0.035 0.000 1.080 270 N CA 0.187 53.252 53.050 0.025 0.000 0.893 270 N CB 0.417 38.929 38.487 0.041 0.000 0.973 270 N HN 0.009 nan 8.380 nan 0.000 0.456 271 D N -0.575 119.863 120.400 0.063 0.000 3.099 271 D HA -0.192 4.449 4.640 0.001 0.000 0.213 271 D C -0.132 176.206 176.300 0.063 0.000 1.121 271 D CA 0.644 54.669 54.000 0.042 0.000 0.951 271 D CB -1.880 38.915 40.800 -0.008 0.000 1.102 271 D HN 0.442 nan 8.370 nan 0.000 0.423 272 H N 1.326 120.403 119.070 0.013 0.000 3.134 272 H HA -0.066 4.490 4.556 0.000 0.000 0.326 272 H C 1.218 176.569 175.328 0.038 0.000 1.017 272 H CA 1.368 57.428 56.048 0.020 0.000 1.359 272 H CB 0.639 30.418 29.762 0.029 0.000 1.300 272 H HN 0.289 nan 8.280 nan 0.000 0.596 273 E N 3.042 123.265 120.200 0.038 0.000 2.472 273 E HA -0.119 4.232 4.350 0.001 0.000 0.200 273 E C 0.627 177.466 176.600 0.397 0.000 1.046 273 E CA 0.522 57.009 56.400 0.145 0.000 0.871 273 E CB 0.223 29.890 29.700 -0.055 0.000 0.806 273 E HN 0.639 nan 8.360 nan 0.000 0.533 274 E N 0.361 120.971 120.200 0.683 0.000 2.499 274 E HA 0.081 4.432 4.350 0.001 0.000 0.199 274 E C -0.396 176.329 176.600 0.207 0.000 1.016 274 E CA -0.181 56.426 56.400 0.344 0.000 0.933 274 E CB 0.614 30.371 29.700 0.094 0.000 1.050 274 E HN 0.055 nan 8.360 nan 0.000 0.462 275 I N 1.854 122.574 120.570 0.249 0.000 2.330 275 I HA 0.331 4.502 4.170 0.001 0.000 0.286 275 I C 0.351 176.482 176.117 0.023 0.000 1.025 275 I CA -0.441 60.923 61.300 0.108 0.000 1.197 275 I CB 0.626 38.704 38.000 0.131 0.000 1.358 275 I HN -0.063 nan 8.210 nan 0.000 0.467 276 A N 8.784 131.449 122.820 -0.257 0.000 2.256 276 A HA 0.698 5.018 4.320 0.001 0.000 0.318 276 A C -1.729 175.561 177.584 -0.490 0.000 1.103 276 A CA -1.383 50.179 52.037 -0.792 0.000 0.860 276 A CB 0.483 18.971 19.000 -0.855 0.000 1.182 276 A HN 0.445 nan 8.150 nan 0.000 0.501 277 P HA -0.189 nan 4.420 nan 0.000 0.215 277 P C 1.789 179.028 177.300 -0.101 0.000 1.157 277 P CA 2.498 65.359 63.100 -0.399 0.000 0.868 277 P CB 0.028 31.591 31.700 -0.228 0.000 0.788 278 S N -2.016 113.460 115.700 -0.372 0.000 2.419 278 S HA -0.150 4.321 4.470 0.001 0.000 0.233 278 S C 1.882 176.266 174.600 -0.359 0.000 1.016 278 S CA 1.910 59.768 58.200 -0.570 0.000 0.974 278 S CB -1.942 60.477 63.200 -1.300 0.000 0.786 278 S HN 0.102 nan 8.310 nan 0.000 0.492 279 T N 2.749 117.102 114.554 -0.335 0.000 2.821 279 T HA 0.076 4.426 4.350 0.001 0.000 0.267 279 T C 1.683 176.249 174.700 -0.223 0.000 1.046 279 T CA 1.259 63.204 62.100 -0.258 0.000 1.139 279 T CB -0.273 68.478 68.868 -0.195 0.000 0.871 279 T HN 0.315 nan 8.240 nan 0.000 0.454 280 I N 0.403 120.843 120.570 -0.216 0.000 2.162 280 I HA -0.012 4.159 4.170 0.001 0.000 0.238 280 I C 2.093 178.009 176.117 -0.335 0.000 1.076 280 I CA 1.277 62.410 61.300 -0.277 0.000 1.353 280 I CB -1.428 36.370 38.000 -0.337 0.000 1.063 280 I HN 0.201 nan 8.210 nan 0.000 0.408 281 F N 1.514 121.271 119.950 -0.321 0.000 2.120 281 F HA -0.254 4.273 4.527 0.002 0.000 0.300 281 F C 2.646 178.180 175.800 -0.443 0.000 1.095 281 F CA 1.790 59.599 58.000 -0.319 0.000 1.249 281 F CB -0.778 38.149 39.000 -0.123 0.000 0.995 281 F HN 0.051 nan 8.300 nan 0.000 0.480 282 A N 0.220 122.721 122.820 -0.530 0.000 1.834 282 A HA -0.171 4.150 4.320 0.001 0.000 0.216 282 A C 2.431 179.778 177.584 -0.396 0.000 1.203 282 A CA 2.209 53.684 52.037 -0.936 0.000 0.621 282 A CB -1.555 17.028 19.000 -0.695 0.000 0.841 282 A HN 0.331 nan 8.150 nan 0.000 0.446 283 A N -0.410 122.251 122.820 -0.265 0.000 1.927 283 A HA 0.030 4.350 4.320 0.001 0.000 0.220 283 A C 2.489 179.966 177.584 -0.178 0.000 1.185 283 A CA 2.665 54.595 52.037 -0.178 0.000 0.639 283 A CB -1.125 17.779 19.000 -0.160 0.000 0.820 283 A HN 1.291 nan 8.150 nan 0.000 0.451 284 A N -1.085 121.596 122.820 -0.230 0.000 2.019 284 A HA -0.008 4.313 4.320 0.001 0.000 0.219 284 A C 2.410 179.941 177.584 -0.088 0.000 1.164 284 A CA 1.972 53.882 52.037 -0.212 0.000 0.644 284 A CB -0.602 18.212 19.000 -0.309 0.000 0.805 284 A HN 0.462 nan 8.150 nan 0.000 0.449 285 S N -0.308 115.363 115.700 -0.048 0.000 2.362 285 S HA -0.061 4.410 4.470 0.001 0.000 0.221 285 S C 1.945 176.580 174.600 0.058 0.000 1.032 285 S CA 0.942 59.190 58.200 0.081 0.000 0.973 285 S CB -0.330 63.000 63.200 0.216 0.000 0.849 285 S HN 0.669 nan 8.310 nan 0.000 0.465 286 I N 1.931 122.507 120.570 0.010 0.000 2.286 286 I HA -0.100 4.071 4.170 0.001 0.000 0.248 286 I C 1.748 177.870 176.117 0.010 0.000 1.115 286 I CA 1.565 62.876 61.300 0.018 0.000 1.392 286 I CB -0.975 37.023 38.000 -0.002 0.000 1.065 286 I HN 0.275 nan 8.210 nan 0.000 0.418 287 L N 0.809 122.022 121.223 -0.016 0.000 2.191 287 L HA -0.123 4.218 4.340 0.001 0.000 0.212 287 L C 1.990 178.866 176.870 0.009 0.000 1.103 287 L CA 0.985 55.819 54.840 -0.011 0.000 0.769 287 L CB -0.427 41.603 42.059 -0.048 0.000 0.908 287 L HN 0.220 nan 8.230 nan 0.000 0.438 288 E N -0.054 120.158 120.200 0.020 0.000 2.437 288 E HA 0.088 4.439 4.350 0.001 0.000 0.189 288 E C 1.350 177.977 176.600 0.045 0.000 1.054 288 E CA 0.538 56.962 56.400 0.040 0.000 0.874 288 E CB 0.138 29.878 29.700 0.067 0.000 1.011 288 E HN 0.391 nan 8.360 nan 0.000 0.474 289 G N 1.361 110.182 108.800 0.034 0.000 2.203 289 G HA2 -0.298 3.663 3.960 0.001 0.000 0.263 289 G HA3 -0.298 3.663 3.960 0.001 0.000 0.263 289 G C 0.566 175.481 174.900 0.026 0.000 1.012 289 G CA 0.738 45.849 45.100 0.019 0.000 0.749 289 G HN 0.275 nan 8.290 nan 0.000 0.512 290 V N -2.872 117.084 119.914 0.071 0.000 2.532 290 V HA 0.821 4.942 4.120 0.001 0.000 0.295 290 V C -1.601 174.582 176.094 0.150 0.000 1.041 290 V CA -2.965 59.400 62.300 0.107 0.000 0.926 290 V CB 1.854 33.773 31.823 0.160 0.000 0.992 290 V HN 0.024 nan 8.190 nan 0.000 0.457 291 P HA 0.229 nan 4.420 nan 0.000 0.270 291 P C -1.533 175.960 177.300 0.322 0.000 1.223 291 P CA 0.305 63.548 63.100 0.238 0.000 0.785 291 P CB 0.088 31.941 31.700 0.255 0.000 0.923 292 Y N 1.738 122.158 120.300 0.201 0.000 2.332 292 Y HA 0.505 5.056 4.550 0.000 0.000 0.325 292 Y C -1.188 174.902 175.900 0.316 0.000 1.054 292 Y CA -0.688 57.560 58.100 0.246 0.000 1.119 292 Y CB 0.832 39.458 38.460 0.277 0.000 1.168 292 Y HN 0.155 nan 8.280 nan 0.000 0.439 293 I N 5.341 125.819 120.570 -0.152 0.000 2.336 293 I HA 0.283 4.454 4.170 0.001 0.000 0.292 293 I C -0.571 175.416 176.117 -0.216 0.000 0.991 293 I CA -0.695 60.588 61.300 -0.028 0.000 1.227 293 I CB 1.393 39.385 38.000 -0.013 0.000 1.366 293 I HN 0.589 nan 8.210 nan 0.000 0.466 294 N N 4.581 123.305 118.700 0.041 0.000 2.546 294 N HA 0.332 5.073 4.740 0.001 0.000 0.238 294 N C 0.413 175.960 175.510 0.061 0.000 0.984 294 N CA -0.357 52.666 53.050 -0.045 0.000 0.935 294 N CB 1.326 39.639 38.487 -0.289 0.000 1.122 294 N HN 0.732 nan 8.380 nan 0.000 0.510 295 G N 1.316 110.189 108.800 0.123 0.000 3.591 295 G HA2 0.182 4.142 3.960 0.001 0.000 0.282 295 G HA3 0.182 4.142 3.960 0.001 0.000 0.282 295 G C -0.373 174.630 174.900 0.171 0.000 1.238 295 G CA -0.219 44.961 45.100 0.133 0.000 0.993 295 G HN 0.461 nan 8.290 nan 0.000 0.542 296 S N -0.158 115.646 115.700 0.173 0.000 2.632 296 S HA 0.529 5.000 4.470 0.001 0.000 0.289 296 S C -1.733 172.915 174.600 0.080 0.000 1.115 296 S CA -0.957 57.346 58.200 0.172 0.000 0.889 296 S CB 2.997 66.380 63.200 0.305 0.000 1.116 296 S HN -0.001 nan 8.310 nan 0.000 0.486 297 P HA -0.124 nan 4.420 nan 0.000 0.217 297 P C 0.213 177.595 177.300 0.137 0.000 1.151 297 P CA 0.803 63.987 63.100 0.139 0.000 0.828 297 P CB -0.222 31.582 31.700 0.174 0.000 0.788 298 Q N 2.423 122.253 119.800 0.049 0.000 2.352 298 Q HA -0.121 4.220 4.340 0.001 0.000 0.326 298 Q C -0.053 175.696 176.000 -0.419 0.000 1.135 298 Q CA 0.666 56.367 55.803 -0.169 0.000 1.000 298 Q CB -0.815 27.799 28.738 -0.208 0.000 1.237 298 Q HN 0.404 nan 8.270 nan 0.000 0.409 299 N N 1.391 119.603 118.700 -0.814 0.000 3.124 299 N HA 0.070 4.811 4.740 0.001 0.000 0.284 299 N C -0.160 175.093 175.510 -0.429 0.000 1.209 299 N CA -0.301 52.404 53.050 -0.574 0.000 1.149 299 N CB 0.539 38.614 38.487 -0.687 0.000 1.434 299 N HN 0.482 nan 8.380 nan 0.000 0.529 300 T N 0.403 114.666 114.554 -0.485 0.000 2.737 300 T HA -0.111 4.240 4.350 0.001 0.000 0.265 300 T C 0.596 175.135 174.700 -0.269 0.000 1.038 300 T CA 0.912 62.725 62.100 -0.480 0.000 1.144 300 T CB -0.392 68.052 68.868 -0.706 0.000 0.866 300 T HN 0.476 nan 8.240 nan 0.000 0.434 301 F N 3.993 123.878 119.950 -0.110 0.000 2.521 301 F HA 0.127 4.655 4.527 0.003 0.000 0.384 301 F C 1.160 176.922 175.800 -0.063 0.000 1.148 301 F CA -1.159 56.802 58.000 -0.065 0.000 1.364 301 F CB -1.102 37.892 39.000 -0.009 0.000 1.748 301 F HN 0.010 nan 8.300 nan 0.000 0.660 302 V N -0.281 119.672 119.914 0.064 0.000 3.332 302 V HA -0.041 4.080 4.120 0.001 0.000 0.305 302 V C -1.009 175.114 176.094 0.048 0.000 1.114 302 V CA -1.320 60.993 62.300 0.021 0.000 1.194 302 V CB 0.147 31.955 31.823 -0.025 0.000 1.027 302 V HN 0.106 nan 8.190 nan 0.000 0.492 303 P HA -0.130 nan 4.420 nan 0.000 0.214 303 P C 1.682 178.995 177.300 0.023 0.000 1.163 303 P CA 2.383 65.503 63.100 0.034 0.000 0.889 303 P CB -0.338 31.378 31.700 0.026 0.000 0.790 304 G N 0.363 109.169 108.800 0.009 0.000 2.469 304 G HA2 -0.260 3.701 3.960 0.001 0.000 0.219 304 G HA3 -0.260 3.701 3.960 0.001 0.000 0.219 304 G C 1.590 176.491 174.900 0.002 0.000 1.150 304 G CA 0.701 45.801 45.100 0.001 0.000 0.763 304 G HN 0.244 nan 8.290 nan 0.000 0.561 305 L N 0.813 122.041 121.223 0.008 0.000 2.201 305 L HA 0.044 4.385 4.340 0.001 0.000 0.212 305 L C 2.840 179.717 176.870 0.012 0.000 1.105 305 L CA 1.006 55.854 54.840 0.013 0.000 0.775 305 L CB -0.081 42.002 42.059 0.039 0.000 0.913 305 L HN 0.103 nan 8.230 nan 0.000 0.440 306 V N -1.075 118.847 119.914 0.013 0.000 2.453 306 V HA -0.270 3.851 4.120 0.001 0.000 0.247 306 V C 2.413 178.493 176.094 -0.023 0.000 1.048 306 V CA 1.605 63.889 62.300 -0.028 0.000 1.049 306 V CB -0.713 31.107 31.823 -0.006 0.000 0.672 306 V HN 0.501 nan 8.190 nan 0.000 0.457 307 Q N -0.283 119.521 119.800 0.007 0.000 2.061 307 Q HA -0.189 4.152 4.340 0.001 0.000 0.204 307 Q C 2.400 178.421 176.000 0.035 0.000 0.984 307 Q CA 1.662 57.481 55.803 0.027 0.000 0.846 307 Q CB -0.285 28.471 28.738 0.029 0.000 0.902 307 Q HN 0.521 nan 8.270 nan 0.000 0.421 308 L N 0.132 121.358 121.223 0.005 0.000 2.043 308 L HA -0.251 4.090 4.340 0.001 0.000 0.212 308 L C 2.335 179.220 176.870 0.025 0.000 1.075 308 L CA 1.287 56.122 54.840 -0.009 0.000 0.752 308 L CB -0.459 41.582 42.059 -0.031 0.000 0.891 308 L HN 0.267 nan 8.230 nan 0.000 0.432 309 A N -0.451 122.367 122.820 -0.003 0.000 1.930 309 A HA -0.214 4.107 4.320 0.001 0.000 0.217 309 A C 1.998 179.585 177.584 0.006 0.000 1.175 309 A CA 1.522 53.552 52.037 -0.012 0.000 0.627 309 A CB -0.363 18.593 19.000 -0.074 0.000 0.815 309 A HN 0.526 nan 8.150 nan 0.000 0.443 310 E N -1.108 119.092 120.200 0.000 0.000 2.017 310 E HA -0.235 4.116 4.350 0.001 0.000 0.193 310 E C 2.124 178.769 176.600 0.075 0.000 0.997 310 E CA 1.178 57.587 56.400 0.016 0.000 0.804 310 E CB -0.479 29.239 29.700 0.030 0.000 0.757 310 E HN 0.777 nan 8.360 nan 0.000 0.448 311 H N 1.385 120.455 119.070 -0.000 0.000 2.319 311 H HA -0.122 4.435 4.556 0.001 0.000 0.297 311 H C 1.587 176.916 175.328 0.003 0.000 1.097 311 H CA 1.474 57.526 56.048 0.006 0.000 1.285 311 H CB 0.215 29.982 29.762 0.008 0.000 1.368 311 H HN 0.072 nan 8.280 nan 0.000 0.495 312 E N 0.246 120.622 120.200 0.294 0.000 2.482 312 E HA 0.035 4.386 4.350 0.001 0.000 0.196 312 E C 1.022 177.656 176.600 0.056 0.000 1.047 312 E CA 0.665 57.179 56.400 0.190 0.000 0.869 312 E CB -0.477 29.299 29.700 0.127 0.000 0.836 312 E HN 0.686 nan 8.360 nan 0.000 0.520 313 G N 2.251 111.073 108.800 0.036 0.000 2.371 313 G HA2 -0.267 3.694 3.960 0.001 0.000 0.299 313 G HA3 -0.267 3.694 3.960 0.001 0.000 0.299 313 G C 0.068 174.949 174.900 -0.032 0.000 1.014 313 G CA 0.965 46.071 45.100 0.009 0.000 1.097 313 G HN 0.187 nan 8.290 nan 0.000 0.512 314 T N -0.232 114.316 114.554 -0.011 0.000 2.924 314 T HA 0.648 4.999 4.350 0.001 0.000 0.291 314 T C 0.232 174.998 174.700 0.111 0.000 1.045 314 T CA -0.602 61.467 62.100 -0.051 0.000 1.015 314 T CB 1.470 70.335 68.868 -0.006 0.000 1.103 314 T HN 0.220 nan 8.240 nan 0.000 0.496 315 F N 2.030 121.997 119.950 0.029 0.000 2.399 315 F HA 0.586 5.114 4.527 0.001 0.000 0.342 315 F C 0.688 176.479 175.800 -0.016 0.000 1.106 315 F CA -1.061 56.944 58.000 0.008 0.000 1.196 315 F CB 0.754 39.790 39.000 0.059 0.000 1.163 315 F HN 0.359 nan 8.300 nan 0.000 0.547 316 I N 0.039 120.650 120.570 0.068 0.000 2.769 316 I HA 0.809 4.980 4.170 0.001 0.000 0.298 316 I C -0.587 175.445 176.117 -0.143 0.000 1.128 316 I CA -0.969 60.239 61.300 -0.155 0.000 1.031 316 I CB 1.734 39.302 38.000 -0.720 0.000 1.235 316 I HN 0.604 nan 8.210 nan 0.000 0.423 317 A N 3.426 126.301 122.820 0.091 0.000 2.599 317 A HA 0.853 5.174 4.320 0.001 0.000 0.257 317 A C 0.546 178.346 177.584 0.359 0.000 1.641 317 A CA -0.068 52.128 52.037 0.266 0.000 0.842 317 A CB -0.280 18.931 19.000 0.352 0.000 1.599 317 A HN 1.262 nan 8.150 nan 0.000 0.585 318 G N 0.081 109.108 108.800 0.379 0.000 3.317 318 G HA2 0.485 4.446 3.960 0.001 0.000 0.308 318 G HA3 0.485 4.446 3.960 0.001 0.000 0.308 318 G C -1.518 173.530 174.900 0.247 0.000 1.535 318 G CA -0.252 45.046 45.100 0.329 0.000 0.788 318 G HN 0.689 nan 8.290 nan 0.000 0.478 319 D N 1.406 121.936 120.400 0.217 0.000 5.766 319 D HA -0.111 4.530 4.640 0.001 0.000 0.142 319 D C 0.522 176.894 176.300 0.120 0.000 1.191 319 D CA 2.181 56.252 54.000 0.119 0.000 1.048 319 D CB 0.237 41.107 40.800 0.117 0.000 1.098 319 D HN 0.792 nan 8.370 nan 0.000 0.594 320 D N 0.116 120.577 120.400 0.103 0.000 10.616 320 D HA -0.213 4.428 4.640 0.001 0.000 0.332 320 D C -0.389 175.981 176.300 0.117 0.000 3.007 320 D CA 0.363 54.430 54.000 0.112 0.000 2.638 320 D CB 0.180 41.044 40.800 0.107 0.000 1.132 320 D HN 0.423 nan 8.370 nan 0.000 0.895 321 L N 2.407 123.698 121.223 0.113 0.000 2.410 321 L HA 0.084 4.425 4.340 0.001 0.000 0.273 321 L C 1.166 178.095 176.870 0.098 0.000 1.152 321 L CA -0.245 54.664 54.840 0.116 0.000 0.855 321 L CB 0.342 42.459 42.059 0.097 0.000 1.129 321 L HN 0.291 nan 8.230 nan 0.000 0.463 322 K N 2.891 123.352 120.400 0.101 0.000 2.419 322 K HA 0.041 4.362 4.320 0.001 0.000 0.282 322 K C 0.161 176.784 176.600 0.038 0.000 1.056 322 K CA 0.027 56.343 56.287 0.048 0.000 1.035 322 K CB 0.370 32.868 32.500 -0.002 0.000 0.921 322 K HN 0.645 nan 8.250 nan 0.000 0.472 323 S N 2.345 118.062 115.700 0.029 0.000 2.603 323 S HA 0.225 4.696 4.470 0.001 0.000 0.268 323 S C 1.438 176.042 174.600 0.007 0.000 1.317 323 S CA -0.329 57.887 58.200 0.026 0.000 1.012 323 S CB 1.559 64.777 63.200 0.030 0.000 0.926 323 S HN 0.661 nan 8.310 nan 0.000 0.539 324 G N 0.086 108.893 108.800 0.011 0.000 2.448 324 G HA2 -0.191 3.770 3.960 0.001 0.000 0.219 324 G HA3 -0.191 3.770 3.960 0.001 0.000 0.219 324 G C 1.280 176.179 174.900 -0.003 0.000 1.127 324 G CA 0.793 45.893 45.100 0.001 0.000 0.766 324 G HN 0.839 nan 8.290 nan 0.000 0.552 325 Q N 0.745 120.549 119.800 0.007 0.000 2.049 325 Q HA -0.122 4.218 4.340 0.001 0.000 0.198 325 Q C 2.610 178.626 176.000 0.027 0.000 0.971 325 Q CA 2.031 57.847 55.803 0.021 0.000 0.833 325 Q CB -0.435 28.319 28.738 0.026 0.000 0.896 325 Q HN 0.516 nan 8.270 nan 0.000 0.434 326 T N -1.814 112.750 114.554 0.017 0.000 3.035 326 T HA -0.008 4.343 4.350 0.001 0.000 0.268 326 T C 1.526 176.211 174.700 -0.025 0.000 1.109 326 T CA 0.956 63.063 62.100 0.012 0.000 1.119 326 T CB 0.009 68.883 68.868 0.011 0.000 0.900 326 T HN 0.235 nan 8.240 nan 0.000 0.503 327 K N 0.668 121.038 120.400 -0.049 0.000 2.031 327 K HA 0.201 4.522 4.320 0.001 0.000 0.205 327 K C 2.223 178.783 176.600 -0.067 0.000 1.049 327 K CA 1.024 57.248 56.287 -0.105 0.000 0.939 327 K CB -0.302 32.126 32.500 -0.120 0.000 0.717 327 K HN 0.273 nan 8.250 nan 0.000 0.438 328 L N 1.164 122.371 121.223 -0.027 0.000 2.072 328 L HA -0.151 4.190 4.340 0.001 0.000 0.205 328 L C 2.595 179.479 176.870 0.024 0.000 1.079 328 L CA 1.164 56.000 54.840 -0.007 0.000 0.752 328 L CB -0.268 41.798 42.059 0.011 0.000 0.906 328 L HN 0.157 nan 8.230 nan 0.000 0.436 329 K N -0.475 119.966 120.400 0.068 0.000 2.063 329 K HA -0.237 4.084 4.320 0.001 0.000 0.208 329 K C 2.357 179.002 176.600 0.076 0.000 1.048 329 K CA 1.846 58.223 56.287 0.149 0.000 0.928 329 K CB -0.108 32.484 32.500 0.153 0.000 0.713 329 K HN 0.136 nan 8.250 nan 0.000 0.442 330 S N -0.105 115.604 115.700 0.016 0.000 2.356 330 S HA -0.105 4.366 4.470 0.001 0.000 0.223 330 S C 1.940 176.529 174.600 -0.018 0.000 1.032 330 S CA 1.370 59.560 58.200 -0.017 0.000 1.005 330 S CB -0.235 62.931 63.200 -0.056 0.000 0.867 330 S HN 0.229 nan 8.310 nan 0.000 0.449 331 V N 2.174 122.072 119.914 -0.027 0.000 2.237 331 V HA -0.138 3.983 4.120 0.001 0.000 0.245 331 V C 2.434 178.534 176.094 0.010 0.000 1.046 331 V CA 2.113 64.403 62.300 -0.017 0.000 1.007 331 V CB -0.762 31.040 31.823 -0.036 0.000 0.638 331 V HN 0.583 nan 8.190 nan 0.000 0.445 332 L N 0.201 121.411 121.223 -0.021 0.000 1.994 332 L HA -0.164 4.177 4.340 0.001 0.000 0.208 332 L C 2.546 179.400 176.870 -0.027 0.000 1.071 332 L CA 2.083 56.903 54.840 -0.033 0.000 0.745 332 L CB -0.619 41.357 42.059 -0.138 0.000 0.892 332 L HN 0.309 nan 8.230 nan 0.000 0.431 333 A N -0.688 122.062 122.820 -0.117 0.000 1.948 333 A HA -0.329 3.992 4.320 0.001 0.000 0.220 333 A C 2.147 179.713 177.584 -0.029 0.000 1.177 333 A CA 2.101 54.076 52.037 -0.104 0.000 0.636 333 A CB -0.721 18.300 19.000 0.035 0.000 0.815 333 A HN 0.640 nan 8.150 nan 0.000 0.449 334 Q N -0.917 118.886 119.800 0.005 0.000 2.020 334 Q HA -0.157 4.184 4.340 0.001 0.000 0.202 334 Q C 1.760 177.767 176.000 0.011 0.000 0.982 334 Q CA 2.146 57.953 55.803 0.008 0.000 0.838 334 Q CB -0.616 28.133 28.738 0.018 0.000 0.899 334 Q HN 0.701 nan 8.270 nan 0.000 0.423 335 F N 0.037 119.944 119.950 -0.071 0.000 2.192 335 F HA -0.214 4.313 4.527 0.000 0.000 0.301 335 F C 1.334 177.096 175.800 -0.063 0.000 1.079 335 F CA 1.308 59.269 58.000 -0.064 0.000 1.303 335 F CB -0.176 38.780 39.000 -0.075 0.000 1.024 335 F HN 0.128 nan 8.300 nan 0.000 0.494 336 L N -0.380 120.582 121.223 -0.435 0.000 2.056 336 L HA -0.188 4.153 4.340 0.001 0.000 0.207 336 L C 2.412 179.080 176.870 -0.336 0.000 1.078 336 L CA 1.016 55.565 54.840 -0.486 0.000 0.749 336 L CB -0.808 41.140 42.059 -0.184 0.000 0.901 336 L HN 0.051 nan 8.230 nan 0.000 0.433 337 V N -0.444 119.364 119.914 -0.176 0.000 2.809 337 V HA -0.210 3.911 4.120 0.001 0.000 0.256 337 V C 1.798 177.820 176.094 -0.121 0.000 1.080 337 V CA 1.397 63.647 62.300 -0.083 0.000 1.102 337 V CB -0.439 31.386 31.823 0.002 0.000 0.705 337 V HN 0.392 nan 8.190 nan 0.000 0.475 338 D N 0.683 120.973 120.400 -0.184 0.000 2.183 338 D HA -0.027 4.614 4.640 0.001 0.000 0.203 338 D C 2.157 178.344 176.300 -0.189 0.000 0.969 338 D CA 1.397 55.308 54.000 -0.149 0.000 0.842 338 D CB -0.113 40.621 40.800 -0.110 0.000 0.957 338 D HN 0.441 nan 8.370 nan 0.000 0.484 339 A N -0.476 122.147 122.820 -0.327 0.000 2.067 339 A HA 0.375 4.696 4.320 0.001 0.000 0.217 339 A C 1.819 179.294 177.584 -0.181 0.000 1.156 339 A CA 1.408 53.276 52.037 -0.281 0.000 0.683 339 A CB -0.086 18.649 19.000 -0.441 0.000 0.808 339 A HN 0.276 nan 8.150 nan 0.000 0.455 340 G N -1.383 107.318 108.800 -0.165 0.000 2.148 340 G HA2 -0.153 3.808 3.960 0.001 0.000 0.203 340 G HA3 -0.153 3.808 3.960 0.001 0.000 0.203 340 G C 0.015 174.844 174.900 -0.119 0.000 0.993 340 G CA 0.001 45.033 45.100 -0.114 0.000 0.661 340 G HN 0.401 nan 8.290 nan 0.000 0.518 341 I N 1.023 121.505 120.570 -0.146 0.000 2.342 341 I HA 0.289 4.460 4.170 0.001 0.000 0.291 341 I C 0.726 176.795 176.117 -0.080 0.000 1.010 341 I CA -0.504 60.720 61.300 -0.127 0.000 1.308 341 I CB 1.522 39.433 38.000 -0.149 0.000 1.400 341 I HN 0.031 nan 8.210 nan 0.000 0.488 342 K N 9.242 129.590 120.400 -0.086 0.000 2.231 342 K HA 0.276 4.597 4.320 0.001 0.000 0.275 342 K C -2.194 174.434 176.600 0.048 0.000 1.105 342 K CA -1.580 54.667 56.287 -0.067 0.000 0.931 342 K CB 0.607 32.970 32.500 -0.228 0.000 1.296 342 K HN 0.257 nan 8.250 nan 0.000 0.446 343 P HA -0.023 nan 4.420 nan 0.000 0.256 343 P C 0.905 178.369 177.300 0.274 0.000 1.688 343 P CA -0.163 63.068 63.100 0.219 0.000 1.162 343 P CB 0.326 32.180 31.700 0.256 0.000 1.870 344 V N 0.485 120.535 119.914 0.227 0.000 3.186 344 V HA -0.023 4.098 4.120 0.001 0.000 0.270 344 V C 0.831 177.066 176.094 0.235 0.000 1.149 344 V CA 1.042 63.485 62.300 0.238 0.000 1.160 344 V CB -0.989 30.965 31.823 0.219 0.000 0.758 344 V HN 0.470 nan 8.190 nan 0.000 0.516 345 S N -0.680 115.169 115.700 0.247 0.000 2.550 345 S HA 0.779 5.249 4.470 0.001 0.000 0.270 345 S C -1.057 173.620 174.600 0.129 0.000 1.145 345 S CA -0.742 57.566 58.200 0.180 0.000 0.852 345 S CB 1.856 65.169 63.200 0.188 0.000 1.119 345 S HN 0.327 nan 8.310 nan 0.000 0.465 346 I N 2.795 123.373 120.570 0.014 0.000 2.834 346 I HA 0.304 4.475 4.170 0.001 0.000 0.276 346 I C -0.001 175.994 176.117 -0.203 0.000 1.522 346 I CA -0.522 60.678 61.300 -0.167 0.000 0.858 346 I CB 1.052 39.009 38.000 -0.072 0.000 1.585 346 I HN 0.672 nan 8.210 nan 0.000 0.574 347 A N 2.772 125.443 122.820 -0.249 0.000 3.004 347 A HA 0.649 4.970 4.320 0.001 0.000 0.286 347 A C 0.217 177.420 177.584 -0.635 0.000 1.632 347 A CA 0.063 51.896 52.037 -0.340 0.000 1.339 347 A CB -0.200 18.654 19.000 -0.244 0.000 1.136 347 A HN 0.448 nan 8.150 nan 0.000 0.577 348 S N 0.935 116.286 115.700 -0.582 0.000 2.638 348 S HA 0.860 5.331 4.470 0.001 0.000 0.298 348 S C -1.037 173.253 174.600 -0.516 0.000 1.111 348 S CA -0.400 57.430 58.200 -0.616 0.000 1.027 348 S CB 1.048 64.068 63.200 -0.300 0.000 1.064 348 S HN 0.691 nan 8.310 nan 0.000 0.525 349 Y N -0.354 119.931 120.300 -0.026 0.000 2.409 349 Y HA 0.490 5.036 4.550 -0.006 0.000 0.321 349 Y C -0.704 175.199 175.900 0.005 0.000 1.209 349 Y CA -1.826 56.270 58.100 -0.006 0.000 1.086 349 Y CB -0.056 38.407 38.460 0.005 0.000 1.320 349 Y HN 0.702 nan 8.280 nan 0.000 0.440 350 N N 1.448 120.259 118.700 0.185 0.000 2.879 350 N HA 0.779 5.520 4.740 0.001 0.000 0.329 350 N C -1.026 174.514 175.510 0.051 0.000 1.337 350 N CA -0.397 52.670 53.050 0.029 0.000 0.844 350 N CB 2.129 40.615 38.487 -0.002 0.000 1.236 350 N HN 1.060 nan 8.380 nan 0.000 0.601 351 H N -3.078 116.018 119.070 0.042 0.000 2.895 351 H HA 0.526 5.081 4.556 -0.002 0.000 0.254 351 H C -1.307 174.007 175.328 -0.025 0.000 1.361 351 H CA -0.888 55.164 56.048 0.007 0.000 1.396 351 H CB -0.172 29.584 29.762 -0.011 0.000 1.848 351 H HN 0.826 nan 8.280 nan 0.000 0.468 352 L N -1.465 119.842 121.223 0.140 0.000 3.041 352 L HA 0.906 5.247 4.340 0.001 0.000 0.278 352 L C 0.006 176.762 176.870 -0.191 0.000 1.051 352 L CA -1.091 53.759 54.840 0.016 0.000 0.957 352 L CB 1.089 43.132 42.059 -0.028 0.000 1.538 352 L HN 1.057 nan 8.230 nan 0.000 0.393 381 I N 1.678 122.031 120.570 -0.361 0.000 3.111 381 I HA -0.063 4.108 4.170 0.001 0.000 0.272 381 I C 2.458 178.499 176.117 -0.128 0.000 1.268 381 I CA 1.353 62.340 61.300 -0.522 0.000 1.467 381 I CB 0.017 37.697 38.000 -0.534 0.000 1.087 381 I HN 0.293 nan 8.210 nan 0.000 0.467 382 A N 0.363 123.141 122.820 -0.071 0.000 2.095 382 A HA -0.053 4.268 4.320 0.001 0.000 0.212 382 A C 2.400 180.004 177.584 0.032 0.000 1.162 382 A CA 1.076 53.120 52.037 0.011 0.000 0.753 382 A CB -0.257 18.761 19.000 0.030 0.000 0.840 382 A HN 0.445 nan 8.150 nan 0.000 0.468 383 S N 0.512 116.220 115.700 0.013 0.000 2.325 383 S HA -0.039 4.432 4.470 0.001 0.000 0.214 383 S C 0.804 175.433 174.600 0.047 0.000 1.031 383 S CA 0.800 59.014 58.200 0.022 0.000 0.972 383 S CB -0.636 62.566 63.200 0.004 0.000 0.908 383 S HN 0.473 nan 8.310 nan 0.000 0.453 384 N N 1.762 120.510 118.700 0.079 0.000 2.426 384 N HA 0.261 5.002 4.740 0.001 0.000 0.257 384 N C -1.015 174.617 175.510 0.204 0.000 1.002 384 N CA -0.275 52.847 53.050 0.121 0.000 0.942 384 N CB 1.107 39.673 38.487 0.131 0.000 1.112 384 N HN 0.221 nan 8.380 nan 0.000 0.499 385 D N 3.704 124.191 120.400 0.145 0.000 2.469 385 D HA 0.138 4.779 4.640 0.001 0.000 0.215 385 D C 1.275 177.632 176.300 0.095 0.000 1.154 385 D CA 0.087 54.180 54.000 0.155 0.000 0.832 385 D CB 0.710 41.587 40.800 0.128 0.000 1.008 385 D HN 0.560 nan 8.370 nan 0.000 0.506 386 I N 0.189 120.795 120.570 0.060 0.000 2.617 386 I HA -0.146 4.024 4.170 0.001 0.000 0.256 386 I C 1.449 177.540 176.117 -0.044 0.000 1.167 386 I CA 0.752 62.060 61.300 0.013 0.000 1.469 386 I CB 0.361 38.363 38.000 0.003 0.000 1.098 386 I HN -0.040 nan 8.210 nan 0.000 0.436 387 L N -1.122 120.042 121.223 -0.097 0.000 2.537 387 L HA 0.074 4.414 4.340 0.001 0.000 0.224 387 L C 0.282 176.880 176.870 -0.453 0.000 1.065 387 L CA 0.817 55.478 54.840 -0.298 0.000 0.860 387 L CB -0.395 41.414 42.059 -0.417 0.000 1.086 387 L HN 0.083 nan 8.230 nan 0.000 0.482 388 Y N 1.848 122.156 120.300 0.013 0.000 2.921 388 Y HA 0.361 4.912 4.550 0.001 0.000 0.346 388 Y C 0.397 176.311 175.900 0.023 0.000 1.182 388 Y CA -0.976 57.136 58.100 0.020 0.000 1.319 388 Y CB -0.134 38.338 38.460 0.020 0.000 1.403 388 Y HN 0.175 nan 8.280 nan 0.000 0.554 389 N N -1.576 117.177 118.700 0.089 0.000 2.571 389 N HA 0.147 4.888 4.740 0.001 0.000 0.273 389 N C -0.379 175.162 175.510 0.051 0.000 1.340 389 N CA -0.790 52.303 53.050 0.072 0.000 0.789 389 N CB 1.107 39.622 38.487 0.047 0.000 1.514 389 N HN 0.119 nan 8.380 nan 0.000 0.499 390 D N -0.346 120.080 120.400 0.045 0.000 2.355 390 D HA -0.013 4.628 4.640 0.001 0.000 0.253 390 D C 0.615 176.929 176.300 0.022 0.000 1.187 390 D CA 0.526 54.547 54.000 0.035 0.000 0.900 390 D CB 0.427 41.246 40.800 0.032 0.000 0.915 390 D HN 0.537 nan 8.370 nan 0.000 0.516 391 K N -0.479 119.930 120.400 0.015 0.000 2.344 391 K HA 0.005 4.326 4.320 0.001 0.000 0.200 391 K C 1.168 177.767 176.600 -0.003 0.000 1.132 391 K CA -0.072 56.219 56.287 0.006 0.000 0.935 391 K CB 0.566 33.067 32.500 0.002 0.000 1.089 391 K HN -0.100 nan 8.250 nan 0.000 0.496 392 L N -0.178 121.037 121.223 -0.012 0.000 2.597 392 L HA 0.357 4.697 4.340 0.001 0.000 0.188 392 L C 0.758 177.620 176.870 -0.014 0.000 1.333 392 L CA 0.785 55.607 54.840 -0.031 0.000 1.543 392 L CB -0.180 41.832 42.059 -0.079 0.000 1.504 392 L HN 0.170 nan 8.230 nan 0.000 0.813 393 G N -0.959 107.825 108.800 -0.027 0.000 2.575 393 G HA2 0.430 4.391 3.960 0.001 0.000 0.279 393 G HA3 0.430 4.391 3.960 0.001 0.000 0.279 393 G C -0.606 174.359 174.900 0.109 0.000 1.460 393 G CA -0.445 44.673 45.100 0.029 0.000 1.214 393 G HN 0.201 nan 8.290 nan 0.000 0.582 394 K N 0.556 121.047 120.400 0.153 0.000 2.522 394 K HA 0.280 4.600 4.320 0.001 0.000 0.194 394 K C 0.557 177.298 176.600 0.235 0.000 1.026 394 K CA -0.206 56.228 56.287 0.244 0.000 1.119 394 K CB 0.423 33.009 32.500 0.144 0.000 0.856 394 K HN 0.264 nan 8.250 nan 0.000 0.513 395 K N 0.009 120.545 120.400 0.226 0.000 2.281 395 K HA 0.577 4.898 4.320 0.001 0.000 0.242 395 K C -1.364 175.363 176.600 0.212 0.000 0.971 395 K CA -1.169 55.215 56.287 0.162 0.000 0.834 395 K CB 1.895 34.459 32.500 0.107 0.000 1.181 395 K HN -0.095 nan 8.250 nan 0.000 0.435 396 V N 2.538 122.535 119.914 0.138 0.000 2.623 396 V HA 0.223 4.344 4.120 0.001 0.000 0.304 396 V C -1.361 174.805 176.094 0.120 0.000 1.054 396 V CA -0.988 61.403 62.300 0.150 0.000 0.882 396 V CB 1.945 33.822 31.823 0.090 0.000 1.002 396 V HN 0.797 nan 8.190 nan 0.000 0.424 397 D N 3.247 123.718 120.400 0.119 0.000 2.367 397 D HA 0.323 4.964 4.640 0.001 0.000 0.255 397 D C -0.303 176.054 176.300 0.095 0.000 1.300 397 D CA 0.626 54.676 54.000 0.083 0.000 0.959 397 D CB -0.017 40.815 40.800 0.053 0.000 1.064 397 D HN 0.658 nan 8.370 nan 0.000 0.509 398 H N 1.293 120.353 119.070 -0.016 0.000 2.622 398 H HA 0.682 5.244 4.556 0.011 0.000 0.363 398 H C -1.119 174.186 175.328 -0.039 0.000 1.151 398 H CA -1.074 54.949 56.048 -0.041 0.000 1.184 398 H CB 0.925 30.669 29.762 -0.029 0.000 1.643 398 H HN 0.448 nan 8.280 nan 0.000 0.531 399 C N 5.217 124.008 119.300 -0.848 0.000 2.931 399 C HA 0.562 5.023 4.460 0.001 0.000 0.370 399 C C -1.340 173.320 174.990 -0.549 0.000 1.071 399 C CA -1.126 57.540 59.018 -0.586 0.000 1.266 399 C CB -0.245 27.351 27.740 -0.239 0.000 1.691 399 C HN 0.687 nan 8.230 nan 0.000 0.511 400 I N 3.155 123.521 120.570 -0.340 0.000 2.385 400 I HA 0.615 4.786 4.170 0.001 0.000 0.294 400 I C -0.202 175.899 176.117 -0.026 0.000 0.988 400 I CA -0.476 60.748 61.300 -0.127 0.000 1.265 400 I CB 1.735 39.716 38.000 -0.032 0.000 1.388 400 I HN 0.681 nan 8.210 nan 0.000 0.480 401 V N 7.645 127.587 119.914 0.047 0.000 2.629 401 V HA 0.320 4.441 4.120 0.001 0.000 0.263 401 V C -0.255 175.908 176.094 0.116 0.000 0.959 401 V CA -0.372 61.986 62.300 0.097 0.000 0.869 401 V CB 1.921 33.852 31.823 0.180 0.000 1.060 401 V HN 0.599 nan 8.190 nan 0.000 0.474 402 I N 4.335 124.961 120.570 0.093 0.000 2.321 402 I HA 0.598 4.769 4.170 0.001 0.000 0.291 402 I C -0.397 175.790 176.117 0.118 0.000 0.998 402 I CA -0.148 61.214 61.300 0.104 0.000 1.227 402 I CB 0.821 38.874 38.000 0.089 0.000 1.368 402 I HN 0.349 nan 8.210 nan 0.000 0.466 403 K N 5.986 126.475 120.400 0.149 0.000 2.306 403 K HA 0.334 4.655 4.320 0.001 0.000 0.236 403 K C -1.502 175.199 176.600 0.168 0.000 1.013 403 K CA -0.680 55.694 56.287 0.145 0.000 0.857 403 K CB 1.838 34.397 32.500 0.099 0.000 1.214 403 K HN 0.526 nan 8.250 nan 0.000 0.449 404 Y N 1.657 121.983 120.300 0.043 0.000 2.342 404 Y HA 0.301 4.848 4.550 -0.004 0.000 0.338 404 Y C -0.603 175.300 175.900 0.005 0.000 0.965 404 Y CA -0.501 57.620 58.100 0.035 0.000 1.159 404 Y CB 0.830 39.305 38.460 0.025 0.000 1.157 404 Y HN 0.268 nan 8.280 nan 0.000 0.486 405 M N 7.377 126.759 119.600 -0.364 0.000 2.126 405 M HA 0.168 4.649 4.480 0.001 0.000 0.217 405 M C 0.973 177.052 176.300 -0.369 0.000 0.873 405 M CA -0.390 54.768 55.300 -0.236 0.000 0.707 405 M CB 1.255 33.737 32.600 -0.196 0.000 1.515 405 M HN 0.799 nan 8.290 nan 0.000 0.369 406 K N 1.881 122.040 120.400 -0.401 0.000 2.117 406 K HA -0.206 4.115 4.320 0.001 0.000 0.215 406 K C -1.034 175.498 176.600 -0.113 0.000 1.053 406 K CA 2.290 58.448 56.287 -0.215 0.000 0.935 406 K CB -0.394 32.232 32.500 0.210 0.000 0.719 406 K HN 0.289 nan 8.250 nan 0.000 0.460 407 P HA -0.143 nan 4.420 nan 0.000 0.216 407 P C 1.168 178.442 177.300 -0.042 0.000 1.150 407 P CA 1.517 64.593 63.100 -0.040 0.000 0.837 407 P CB -0.017 31.666 31.700 -0.028 0.000 0.786 408 V N -3.084 116.798 119.914 -0.053 0.000 2.794 408 V HA -0.072 4.049 4.120 0.001 0.000 0.260 408 V C 1.580 177.656 176.094 -0.030 0.000 1.103 408 V CA 1.254 63.540 62.300 -0.024 0.000 1.125 408 V CB -2.117 29.713 31.823 0.011 0.000 0.702 408 V HN 0.395 nan 8.190 nan 0.000 0.494 409 G N 0.682 109.452 108.800 -0.050 0.000 2.509 409 G HA2 -0.412 3.549 3.960 0.001 0.000 0.256 409 G HA3 -0.412 3.549 3.960 0.001 0.000 0.256 409 G C 0.378 175.251 174.900 -0.044 0.000 1.152 409 G CA 0.617 45.694 45.100 -0.039 0.000 0.951 409 G HN 0.520 nan 8.290 nan 0.000 0.559 410 D N 0.705 121.088 120.400 -0.028 0.000 2.333 410 D HA 0.241 4.882 4.640 0.001 0.000 0.208 410 D C 1.413 177.700 176.300 -0.023 0.000 0.984 410 D CA 1.132 55.117 54.000 -0.025 0.000 0.873 410 D CB -0.103 40.687 40.800 -0.017 0.000 0.935 410 D HN 0.423 nan 8.370 nan 0.000 0.521 411 S N 1.104 116.791 115.700 -0.021 0.000 2.466 411 S HA 0.044 4.515 4.470 0.001 0.000 0.286 411 S C 0.064 174.650 174.600 -0.023 0.000 1.221 411 S CA -0.217 57.972 58.200 -0.019 0.000 1.091 411 S CB 0.662 63.855 63.200 -0.012 0.000 0.956 411 S HN 0.204 nan 8.310 nan 0.000 0.501 412 K N 2.866 123.244 120.400 -0.037 0.000 2.095 412 K HA 0.614 4.935 4.320 0.001 0.000 0.252 412 K C -1.188 175.351 176.600 -0.103 0.000 0.977 412 K CA -0.626 55.624 56.287 -0.063 0.000 0.900 412 K CB 0.885 33.351 32.500 -0.058 0.000 1.060 412 K HN 0.356 nan 8.250 nan 0.000 0.449 413 V N 1.477 121.268 119.914 -0.205 0.000 2.638 413 V HA 0.657 4.778 4.120 0.001 0.000 0.306 413 V C -0.949 174.997 176.094 -0.246 0.000 1.052 413 V CA -0.969 61.208 62.300 -0.204 0.000 0.885 413 V CB 1.356 33.105 31.823 -0.122 0.000 0.999 413 V HN 0.922 nan 8.190 nan 0.000 0.424 414 A N 5.516 128.294 122.820 -0.069 0.000 2.371 414 A HA 0.980 5.301 4.320 0.001 0.000 0.311 414 A C -0.892 176.776 177.584 0.140 0.000 1.068 414 A CA -0.605 51.433 52.037 0.003 0.000 0.744 414 A CB 1.645 20.646 19.000 0.001 0.000 1.239 414 A HN 0.811 nan 8.150 nan 0.000 0.435 415 M N 2.208 121.907 119.600 0.164 0.000 2.259 415 M HA 0.378 4.859 4.480 0.001 0.000 0.304 415 M C -1.601 174.735 176.300 0.060 0.000 1.019 415 M CA -0.209 55.202 55.300 0.185 0.000 0.922 415 M CB 2.276 35.043 32.600 0.279 0.000 1.600 415 M HN 0.597 nan 8.290 nan 0.000 0.433 416 D N 2.892 123.303 120.400 0.018 0.000 2.473 416 D HA 0.241 4.882 4.640 0.001 0.000 0.253 416 D C -1.195 175.020 176.300 -0.142 0.000 1.233 416 D CA -0.320 53.608 54.000 -0.120 0.000 0.908 416 D CB 2.160 42.953 40.800 -0.012 0.000 1.170 416 D HN 0.511 nan 8.370 nan 0.000 0.558 417 E N 1.752 121.784 120.200 -0.279 0.000 2.175 417 E HA 0.317 4.668 4.350 0.001 0.000 0.278 417 E C -1.497 174.945 176.600 -0.263 0.000 0.969 417 E CA -0.460 55.854 56.400 -0.143 0.000 0.796 417 E CB 0.924 30.562 29.700 -0.104 0.000 1.104 417 E HN 0.261 nan 8.360 nan 0.000 0.395 418 Y N 3.252 123.597 120.300 0.074 0.000 2.350 418 Y HA 0.318 4.872 4.550 0.006 0.000 0.338 418 Y C -1.177 174.815 175.900 0.153 0.000 0.961 418 Y CA -0.798 57.363 58.100 0.102 0.000 1.100 418 Y CB 1.348 39.858 38.460 0.082 0.000 1.179 418 Y HN 0.510 nan 8.280 nan 0.000 0.454 419 Y N 2.935 123.336 120.300 0.168 0.000 2.464 419 Y HA 0.573 5.124 4.550 0.003 0.000 0.326 419 Y C -0.581 175.423 175.900 0.174 0.000 0.969 419 Y CA -0.475 57.709 58.100 0.141 0.000 1.270 419 Y CB 0.644 39.148 38.460 0.073 0.000 1.103 419 Y HN 0.584 nan 8.280 nan 0.000 0.491 420 S N 3.813 119.426 115.700 -0.146 0.000 2.664 420 S HA 0.386 4.857 4.470 0.001 0.000 0.304 420 S C -1.009 173.469 174.600 -0.203 0.000 1.099 420 S CA -1.030 57.125 58.200 -0.076 0.000 1.003 420 S CB 1.845 65.029 63.200 -0.026 0.000 1.092 420 S HN 0.733 nan 8.310 nan 0.000 0.525 421 E N 1.097 121.206 120.200 -0.151 0.000 2.191 421 E HA 0.545 4.896 4.350 0.001 0.000 0.278 421 E C -1.006 175.438 176.600 -0.261 0.000 0.972 421 E CA -0.528 55.675 56.400 -0.328 0.000 0.804 421 E CB 0.640 30.159 29.700 -0.301 0.000 1.110 421 E HN 0.468 nan 8.360 nan 0.000 0.394 422 L N 2.937 123.983 121.223 -0.295 0.000 2.578 422 L HA 0.472 4.813 4.340 0.001 0.000 0.259 422 L C 0.744 177.510 176.870 -0.173 0.000 1.082 422 L CA -1.372 53.356 54.840 -0.187 0.000 0.843 422 L CB 0.755 42.728 42.059 -0.142 0.000 1.535 422 L HN 0.662 nan 8.230 nan 0.000 0.510 423 M N 0.235 119.764 119.600 -0.119 0.000 2.240 423 M HA 0.295 4.776 4.480 0.001 0.000 0.333 423 M C -0.052 176.195 176.300 -0.088 0.000 1.110 423 M CA -0.149 55.094 55.300 -0.096 0.000 1.173 423 M CB 0.531 33.090 32.600 -0.069 0.000 1.458 423 M HN 0.446 nan 8.290 nan 0.000 0.458 424 L N 2.475 123.654 121.223 -0.072 0.000 3.677 424 L HA -0.262 4.078 4.340 0.001 0.000 0.464 424 L C 0.961 177.798 176.870 -0.056 0.000 1.278 424 L CA 0.778 55.586 54.840 -0.053 0.000 0.806 424 L CB -2.541 39.496 42.059 -0.036 0.000 1.610 424 L HN 1.331 nan 8.230 nan 0.000 0.867 425 G N -1.534 107.216 108.800 -0.083 0.000 2.189 425 G HA2 -0.238 3.723 3.960 0.001 0.000 0.267 425 G HA3 -0.238 3.723 3.960 0.001 0.000 0.267 425 G C 0.677 175.519 174.900 -0.097 0.000 0.975 425 G CA 0.371 45.429 45.100 -0.070 0.000 0.644 425 G HN 1.113 nan 8.290 nan 0.000 0.537 426 G N -1.287 107.426 108.800 -0.145 0.000 2.616 426 G HA2 0.578 4.539 3.960 0.001 0.000 0.268 426 G HA3 0.578 4.539 3.960 0.001 0.000 0.268 426 G C -0.389 174.304 174.900 -0.345 0.000 1.213 426 G CA -0.200 44.834 45.100 -0.109 0.000 0.926 426 G HN 0.488 nan 8.290 nan 0.000 0.523 427 H N -0.674 118.342 119.070 -0.090 0.000 3.016 427 H HA 0.338 4.895 4.556 0.002 0.000 0.362 427 H C -0.989 174.199 175.328 -0.233 0.000 1.233 427 H CA -0.667 55.238 56.048 -0.238 0.000 1.124 427 H CB 2.537 32.109 29.762 -0.316 0.000 1.850 427 H HN 0.454 nan 8.280 nan 0.000 0.549 428 N N 1.284 119.856 118.700 -0.214 0.000 2.258 428 N HA 0.217 4.957 4.740 0.001 0.000 0.299 428 N C -1.135 174.305 175.510 -0.117 0.000 1.047 428 N CA -0.447 52.535 53.050 -0.114 0.000 0.814 428 N CB 2.648 41.092 38.487 -0.071 0.000 1.413 428 N HN 0.572 nan 8.380 nan 0.000 0.478 429 R N 4.343 124.857 120.500 0.024 0.000 2.451 429 R HA 0.518 4.858 4.340 0.001 0.000 0.307 429 R C -1.103 175.275 176.300 0.131 0.000 0.965 429 R CA -0.427 55.749 56.100 0.128 0.000 0.865 429 R CB 0.569 30.989 30.300 0.201 0.000 1.174 429 R HN 0.531 nan 8.270 nan 0.000 0.455 430 I N 2.510 123.187 120.570 0.179 0.000 2.509 430 I HA 0.366 4.537 4.170 0.001 0.000 0.293 430 I C -0.470 175.783 176.117 0.226 0.000 1.020 430 I CA -0.779 60.627 61.300 0.176 0.000 1.088 430 I CB 2.421 40.516 38.000 0.159 0.000 1.267 430 I HN 0.506 nan 8.210 nan 0.000 0.430 431 S N 6.297 122.096 115.700 0.165 0.000 2.513 431 S HA 0.681 5.151 4.470 0.001 0.000 0.299 431 S C -0.477 174.215 174.600 0.154 0.000 1.087 431 S CA -0.578 57.712 58.200 0.152 0.000 1.012 431 S CB 1.814 65.074 63.200 0.099 0.000 1.044 431 S HN 0.372 nan 8.310 nan 0.000 0.485 432 I N 2.747 123.418 120.570 0.169 0.000 2.411 432 I HA 0.297 4.468 4.170 0.001 0.000 0.284 432 I C -0.111 176.117 176.117 0.185 0.000 1.012 432 I CA -0.400 60.997 61.300 0.161 0.000 1.119 432 I CB 1.065 39.167 38.000 0.170 0.000 1.261 432 I HN 0.644 nan 8.210 nan 0.000 0.448 433 H N 6.730 125.832 119.070 0.053 0.000 2.473 433 H HA 0.407 4.963 4.556 0.000 0.000 0.327 433 H C -1.065 174.278 175.328 0.026 0.000 1.105 433 H CA -0.600 55.473 56.048 0.041 0.000 1.280 433 H CB 1.327 31.113 29.762 0.041 0.000 1.450 433 H HN 0.497 nan 8.280 nan 0.000 0.492 434 N N 3.973 122.602 118.700 -0.119 0.000 2.336 434 N HA 0.240 4.981 4.740 0.001 0.000 0.290 434 N C -1.913 173.452 175.510 -0.243 0.000 1.058 434 N CA -0.410 52.541 53.050 -0.166 0.000 0.865 434 N CB 2.288 40.745 38.487 -0.050 0.000 1.581 434 N HN 0.328 nan 8.380 nan 0.000 0.480 435 V N 2.361 122.140 119.914 -0.224 0.000 2.668 435 V HA 0.665 4.786 4.120 0.001 0.000 0.304 435 V C -0.212 175.829 176.094 -0.090 0.000 1.071 435 V CA -0.763 61.437 62.300 -0.168 0.000 0.894 435 V CB 1.166 32.870 31.823 -0.198 0.000 1.008 435 V HN 0.961 nan 8.190 nan 0.000 0.425 436 C N 1.871 121.137 119.300 -0.058 0.000 3.231 436 C HA 0.583 5.044 4.460 0.001 0.000 0.343 436 C C -0.957 174.022 174.990 -0.018 0.000 1.349 436 C CA -0.845 58.157 59.018 -0.027 0.000 1.209 436 C CB 1.615 29.346 27.740 -0.015 0.000 1.475 436 C HN 0.864 nan 8.230 nan 0.000 0.460 437 E N 1.581 121.778 120.200 -0.004 0.000 2.070 437 E HA 0.104 4.454 4.350 0.001 0.000 0.282 437 E C 0.175 176.777 176.600 0.003 0.000 1.104 437 E CA -0.126 56.272 56.400 -0.003 0.000 0.876 437 E CB 0.901 30.602 29.700 0.000 0.000 1.055 437 E HN 0.538 nan 8.360 nan 0.000 0.401 438 D N 1.893 122.293 120.400 -0.001 0.000 2.192 438 D HA -0.213 4.428 4.640 0.001 0.000 0.189 438 D C 1.541 177.851 176.300 0.016 0.000 1.007 438 D CA 1.691 55.695 54.000 0.008 0.000 0.859 438 D CB -0.014 40.789 40.800 0.006 0.000 0.936 438 D HN 0.267 nan 8.370 nan 0.000 0.447 439 S N -0.175 115.531 115.700 0.011 0.000 2.400 439 S HA -0.083 4.388 4.470 0.001 0.000 0.232 439 S C 2.041 176.655 174.600 0.022 0.000 1.025 439 S CA 0.386 58.593 58.200 0.012 0.000 0.993 439 S CB -0.165 63.034 63.200 -0.001 0.000 0.808 439 S HN 0.315 nan 8.310 nan 0.000 0.478 440 L N 0.186 121.422 121.223 0.023 0.000 2.549 440 L HA 0.013 4.354 4.340 0.001 0.000 0.229 440 L C 1.720 178.624 176.870 0.057 0.000 1.158 440 L CA 0.471 55.333 54.840 0.037 0.000 0.842 440 L CB -0.209 41.871 42.059 0.035 0.000 0.952 440 L HN 0.263 nan 8.230 nan 0.000 0.452 441 L N -1.588 119.666 121.223 0.052 0.000 2.609 441 L HA 0.240 4.581 4.340 0.001 0.000 0.230 441 L C 2.358 179.271 176.870 0.071 0.000 1.064 441 L CA 0.901 55.779 54.840 0.064 0.000 0.873 441 L CB -0.040 42.049 42.059 0.049 0.000 1.139 441 L HN 0.024 nan 8.230 nan 0.000 0.490 442 A N -1.357 121.496 122.820 0.056 0.000 1.930 442 A HA -0.064 4.257 4.320 0.001 0.000 0.215 442 A C 2.150 179.764 177.584 0.051 0.000 1.176 442 A CA 1.881 53.951 52.037 0.056 0.000 0.632 442 A CB -0.785 18.238 19.000 0.039 0.000 0.819 442 A HN 0.341 nan 8.150 nan 0.000 0.445 443 T N 1.125 115.709 114.554 0.050 0.000 2.555 443 T HA -0.112 4.239 4.350 0.001 0.000 0.264 443 T C -0.208 174.536 174.700 0.073 0.000 1.083 443 T CA 2.006 64.141 62.100 0.057 0.000 1.179 443 T CB -1.210 67.696 68.868 0.063 0.000 0.863 443 T HN 0.454 nan 8.240 nan 0.000 0.412 444 P HA -0.056 nan 4.420 nan 0.000 0.217 444 P C 1.761 179.083 177.300 0.036 0.000 1.148 444 P CA 0.991 64.149 63.100 0.097 0.000 0.828 444 P CB -0.200 31.580 31.700 0.134 0.000 0.783 445 L N -1.220 120.039 121.223 0.061 0.000 2.156 445 L HA -0.037 4.303 4.340 0.001 0.000 0.208 445 L C 2.557 179.368 176.870 -0.098 0.000 1.095 445 L CA 1.115 55.989 54.840 0.055 0.000 0.770 445 L CB -0.501 41.666 42.059 0.180 0.000 0.914 445 L HN -0.210 nan 8.230 nan 0.000 0.439 446 I N -0.489 120.056 120.570 -0.042 0.000 2.233 446 I HA -0.301 3.870 4.170 0.001 0.000 0.243 446 I C 2.329 178.385 176.117 -0.101 0.000 1.093 446 I CA 1.339 62.599 61.300 -0.067 0.000 1.380 446 I CB -0.150 37.837 38.000 -0.023 0.000 1.067 446 I HN 0.207 nan 8.210 nan 0.000 0.413 447 I N 0.760 121.310 120.570 -0.033 0.000 2.151 447 I HA -0.370 3.801 4.170 0.001 0.000 0.243 447 I C 2.104 178.150 176.117 -0.119 0.000 1.080 447 I CA 1.523 62.840 61.300 0.028 0.000 1.339 447 I CB -0.541 37.463 38.000 0.007 0.000 1.039 447 I HN 0.271 nan 8.210 nan 0.000 0.409 448 D N 0.831 121.054 120.400 -0.295 0.000 2.104 448 D HA -0.167 4.474 4.640 0.001 0.000 0.194 448 D C 2.323 178.152 176.300 -0.786 0.000 0.994 448 D CA 1.283 54.941 54.000 -0.570 0.000 0.830 448 D CB -0.377 39.942 40.800 -0.801 0.000 0.959 448 D HN 0.268 nan 8.370 nan 0.000 0.452 449 L N 0.242 120.980 121.223 -0.807 0.000 1.989 449 L HA -0.188 4.153 4.340 0.001 0.000 0.211 449 L C 2.630 179.338 176.870 -0.269 0.000 1.071 449 L CA 0.819 55.310 54.840 -0.582 0.000 0.749 449 L CB -0.437 41.445 42.059 -0.295 0.000 0.890 449 L HN 0.084 nan 8.230 nan 0.000 0.431 450 L N -1.017 120.101 121.223 -0.176 0.000 2.012 450 L HA -0.237 4.104 4.340 0.001 0.000 0.210 450 L C 2.512 179.393 176.870 0.018 0.000 1.073 450 L CA 1.095 55.880 54.840 -0.092 0.000 0.748 450 L CB -0.683 41.269 42.059 -0.179 0.000 0.891 450 L HN 0.096 nan 8.230 nan 0.000 0.431 451 V N -0.833 119.115 119.914 0.057 0.000 2.626 451 V HA -0.264 3.857 4.120 0.001 0.000 0.252 451 V C 2.256 178.413 176.094 0.106 0.000 1.067 451 V CA 1.495 63.866 62.300 0.118 0.000 1.081 451 V CB -0.270 31.579 31.823 0.044 0.000 0.686 451 V HN 0.370 nan 8.190 nan 0.000 0.468 452 M N -0.658 118.936 119.600 -0.010 0.000 2.476 452 M HA -0.009 4.472 4.480 0.001 0.000 0.262 452 M C 1.982 178.383 176.300 0.169 0.000 1.111 452 M CA 1.455 56.796 55.300 0.069 0.000 1.127 452 M CB -0.487 32.069 32.600 -0.073 0.000 1.376 452 M HN 0.308 nan 8.290 nan 0.000 0.465 453 T N -0.382 114.241 114.554 0.115 0.000 2.809 453 T HA -0.091 4.259 4.350 0.001 0.000 0.260 453 T C 1.686 176.556 174.700 0.284 0.000 1.039 453 T CA 1.227 63.434 62.100 0.178 0.000 1.141 453 T CB -0.225 68.736 68.868 0.154 0.000 0.869 453 T HN 0.319 nan 8.240 nan 0.000 0.437 454 E N 0.901 121.239 120.200 0.230 0.000 2.130 454 E HA -0.158 4.193 4.350 0.001 0.000 0.196 454 E C 1.870 178.631 176.600 0.268 0.000 0.998 454 E CA 1.179 57.715 56.400 0.228 0.000 0.806 454 E CB -0.394 29.425 29.700 0.198 0.000 0.738 454 E HN 0.514 nan 8.360 nan 0.000 0.459 455 F N 0.770 120.819 119.950 0.166 0.000 2.084 455 F HA -0.196 4.332 4.527 0.001 0.000 0.296 455 F C 2.561 178.511 175.800 0.250 0.000 1.111 455 F CA 1.744 59.847 58.000 0.171 0.000 1.224 455 F CB -0.475 38.608 39.000 0.139 0.000 0.991 455 F HN 0.068 nan 8.300 nan 0.000 0.471 456 C N 0.111 119.682 119.300 0.451 0.000 2.430 456 C HA -0.117 4.344 4.460 0.001 0.000 0.288 456 C C 2.612 177.979 174.990 0.629 0.000 1.448 456 C CA 1.439 60.710 59.018 0.422 0.000 1.784 456 C CB -1.867 25.897 27.740 0.040 0.000 1.776 456 C HN 0.555 nan 8.230 nan 0.000 0.547 457 T N 0.599 115.483 114.554 0.550 0.000 2.857 457 T HA -0.091 4.260 4.350 0.001 0.000 0.266 457 T C 1.627 176.452 174.700 0.208 0.000 1.048 457 T CA 1.106 63.452 62.100 0.410 0.000 1.139 457 T CB -0.142 68.859 68.868 0.222 0.000 0.874 457 T HN 0.576 nan 8.240 nan 0.000 0.455 458 R N 0.719 121.278 120.500 0.098 0.000 2.449 458 R HA 0.297 4.638 4.340 0.001 0.000 0.262 458 R C -0.805 175.510 176.300 0.025 0.000 1.006 458 R CA -0.079 56.026 56.100 0.008 0.000 1.104 458 R CB 0.449 30.692 30.300 -0.095 0.000 1.206 458 R HN 0.129 nan 8.270 nan 0.000 0.538 459 V N 1.059 121.097 119.914 0.207 0.000 2.483 459 V HA 0.338 4.459 4.120 0.001 0.000 0.297 459 V C -0.466 175.916 176.094 0.480 0.000 1.027 459 V CA -0.762 61.745 62.300 0.344 0.000 0.855 459 V CB 1.805 33.947 31.823 0.531 0.000 0.995 459 V HN 0.259 nan 8.190 nan 0.000 0.424 460 S N 4.573 120.528 115.700 0.425 0.000 2.542 460 S HA 0.890 5.361 4.470 0.001 0.000 0.293 460 S C -0.937 173.967 174.600 0.507 0.000 1.089 460 S CA -0.790 57.653 58.200 0.404 0.000 0.961 460 S CB 1.898 65.274 63.200 0.293 0.000 1.062 460 S HN 0.761 nan 8.310 nan 0.000 0.483 461 Y N -0.285 120.117 120.300 0.171 0.000 2.686 461 Y HA 0.864 5.415 4.550 0.001 0.000 0.330 461 Y C -0.609 174.967 175.900 -0.541 0.000 1.082 461 Y CA -1.310 56.667 58.100 -0.205 0.000 1.158 461 Y CB 1.289 39.485 38.460 -0.440 0.000 1.333 461 Y HN 0.819 nan 8.280 nan 0.000 0.519 462 K N 1.266 121.271 120.400 -0.657 0.000 2.550 462 K HA 0.247 4.568 4.320 0.001 0.000 0.252 462 K C -1.825 174.510 176.600 -0.443 0.000 0.943 462 K CA -0.808 55.017 56.287 -0.771 0.000 0.806 462 K CB 1.841 33.533 32.500 -1.346 0.000 1.289 462 K HN 0.795 nan 8.250 nan 0.000 0.435 463 K N 5.001 125.171 120.400 -0.384 0.000 2.206 463 K HA 0.149 4.470 4.320 0.001 0.000 0.268 463 K C -0.166 176.217 176.600 -0.362 0.000 1.111 463 K CA -0.530 55.449 56.287 -0.514 0.000 0.955 463 K CB 0.312 32.539 32.500 -0.456 0.000 1.406 463 K HN 0.468 nan 8.250 nan 0.000 0.427 464 V N 0.143 119.871 119.914 -0.310 0.000 2.863 464 V HA 0.425 4.546 4.120 0.001 0.000 0.307 464 V C -0.217 175.784 176.094 -0.155 0.000 1.061 464 V CA -0.779 61.405 62.300 -0.194 0.000 1.024 464 V CB 1.620 33.361 31.823 -0.137 0.000 1.049 464 V HN 0.625 nan 8.190 nan 0.000 0.471 465 D N 1.861 122.198 120.400 -0.105 0.000 2.272 465 D HA 0.588 5.228 4.640 0.001 0.000 0.247 465 D C -1.875 174.395 176.300 -0.050 0.000 0.990 465 D CA -2.008 51.946 54.000 -0.077 0.000 0.931 465 D CB 2.369 43.130 40.800 -0.065 0.000 1.195 465 D HN 0.478 nan 8.370 nan 0.000 0.477 466 P HA 0.051 nan 4.420 nan 0.000 0.249 466 P C -0.019 177.269 177.300 -0.019 0.000 1.229 466 P CA 0.239 63.325 63.100 -0.023 0.000 0.788 466 P CB 0.404 32.093 31.700 -0.018 0.000 1.072 467 V N -0.355 119.545 119.914 -0.024 0.000 3.043 467 V HA 0.311 4.432 4.120 0.001 0.000 0.357 467 V C 0.468 176.549 176.094 -0.022 0.000 1.372 467 V CA 0.016 62.304 62.300 -0.020 0.000 1.214 467 V CB -0.793 31.018 31.823 -0.019 0.000 1.224 467 V HN 0.094 nan 8.190 nan 0.000 0.507 468 K N 1.728 122.114 120.400 -0.024 0.000 2.265 468 K HA 0.057 4.378 4.320 0.001 0.000 0.320 468 K C -0.240 176.344 176.600 -0.026 0.000 1.661 468 K CA -0.135 56.138 56.287 -0.024 0.000 0.952 468 K CB 0.652 33.134 32.500 -0.029 0.000 1.415 468 K HN 0.377 nan 8.250 nan 0.000 0.449 469 E N 2.327 122.518 120.200 -0.016 0.000 2.438 469 E HA -0.078 4.273 4.350 0.001 0.000 0.261 469 E C -0.543 176.052 176.600 -0.008 0.000 1.103 469 E CA 0.704 57.098 56.400 -0.010 0.000 0.959 469 E CB 0.449 30.150 29.700 0.001 0.000 0.958 469 E HN 0.558 nan 8.360 nan 0.000 0.447 470 D N 0.606 121.005 120.400 -0.001 0.000 2.813 470 D HA -0.205 4.436 4.640 0.001 0.000 0.218 470 D C -1.050 175.252 176.300 0.003 0.000 1.240 470 D CA 1.163 55.171 54.000 0.014 0.000 0.644 470 D CB -0.964 39.857 40.800 0.035 0.000 0.966 470 D HN 0.467 nan 8.370 nan 0.000 0.398 471 A N 0.843 123.649 122.820 -0.025 0.000 2.310 471 A HA 0.711 5.032 4.320 0.001 0.000 0.304 471 A C 0.732 178.284 177.584 -0.054 0.000 1.231 471 A CA 0.349 52.368 52.037 -0.030 0.000 0.799 471 A CB 1.721 20.701 19.000 -0.034 0.000 1.162 471 A HN 0.720 nan 8.150 nan 0.000 0.486 472 G N 0.929 109.707 108.800 -0.036 0.000 2.406 472 G HA2 0.381 4.342 3.960 0.001 0.000 0.680 472 G HA3 0.381 4.342 3.960 0.001 0.000 0.680 472 G C -1.124 173.763 174.900 -0.022 0.000 1.338 472 G CA -0.526 44.540 45.100 -0.058 0.000 0.941 472 G HN 1.053 nan 8.290 nan 0.000 0.633 473 K N -0.472 119.914 120.400 -0.022 0.000 2.156 473 K HA 0.839 5.159 4.320 0.001 0.000 0.250 473 K C -0.430 176.179 176.600 0.014 0.000 0.955 473 K CA -1.204 55.129 56.287 0.076 0.000 0.855 473 K CB 0.527 33.056 32.500 0.048 0.000 1.101 473 K HN 0.305 nan 8.250 nan 0.000 0.434 474 F N 2.152 122.018 119.950 -0.139 0.000 2.504 474 F HA 0.255 4.783 4.527 0.001 0.000 0.369 474 F C 0.699 176.351 175.800 -0.246 0.000 1.082 474 F CA -0.014 57.862 58.000 -0.206 0.000 1.216 474 F CB 0.731 39.652 39.000 -0.131 0.000 1.108 474 F HN 0.512 nan 8.300 nan 0.000 0.554 475 E N 1.739 121.732 120.200 -0.346 0.000 2.249 475 E HA 0.388 4.738 4.350 0.001 0.000 0.263 475 E C -0.713 175.686 176.600 -0.334 0.000 0.950 475 E CA -0.872 55.336 56.400 -0.320 0.000 0.827 475 E CB 1.238 30.703 29.700 -0.392 0.000 1.220 475 E HN 0.658 nan 8.360 nan 0.000 0.411 476 N N -0.031 118.674 118.700 0.008 0.000 2.432 476 N HA 0.377 5.117 4.740 0.001 0.000 0.292 476 N C -0.780 175.058 175.510 0.546 0.000 1.193 476 N CA -0.778 52.454 53.050 0.304 0.000 0.878 476 N CB 0.686 39.384 38.487 0.351 0.000 1.252 476 N HN 0.157 nan 8.380 nan 0.000 0.520 477 F N 1.166 121.487 119.950 0.618 0.000 2.537 477 F HA -0.143 4.386 4.527 0.002 0.000 0.402 477 F C 0.846 176.850 175.800 0.339 0.000 1.005 477 F CA 0.349 58.584 58.000 0.392 0.000 1.203 477 F CB -0.201 38.846 39.000 0.077 0.000 0.955 477 F HN 0.440 nan 8.300 nan 0.000 0.547 478 Y N 7.677 128.180 120.300 0.338 0.000 3.059 478 Y HA -0.113 4.437 4.550 0.001 0.000 0.343 478 Y C -1.451 174.571 175.900 0.203 0.000 1.273 478 Y CA -1.586 56.646 58.100 0.219 0.000 1.572 478 Y CB 0.046 38.580 38.460 0.124 0.000 1.228 478 Y HN 0.498 nan 8.280 nan 0.000 0.610 479 P HA -0.261 nan 4.420 nan 0.000 0.222 479 P C -0.421 176.713 177.300 -0.276 0.000 1.154 479 P CA 2.019 64.951 63.100 -0.281 0.000 0.874 479 P CB -0.076 31.341 31.700 -0.473 0.000 0.787 480 V N 0.746 120.388 119.914 -0.453 0.000 2.353 480 V HA 0.055 4.176 4.120 0.001 0.000 0.264 480 V C 0.829 176.891 176.094 -0.053 0.000 1.049 480 V CA -0.134 62.077 62.300 -0.148 0.000 0.896 480 V CB 0.339 32.203 31.823 0.070 0.000 1.025 480 V HN -0.017 nan 8.190 nan 0.000 0.475 481 L N 5.542 126.664 121.223 -0.167 0.000 2.416 481 L HA 0.066 4.407 4.340 0.001 0.000 0.243 481 L C 2.054 178.861 176.870 -0.105 0.000 1.373 481 L CA -0.046 54.635 54.840 -0.264 0.000 1.227 481 L CB -0.449 41.397 42.059 -0.356 0.000 1.428 481 L HN 0.890 nan 8.230 nan 0.000 0.425 482 T N -3.643 110.861 114.554 -0.083 0.000 2.969 482 T HA -0.217 4.134 4.350 0.001 0.000 0.271 482 T C 1.404 176.125 174.700 0.035 0.000 1.127 482 T CA 1.015 63.105 62.100 -0.017 0.000 1.102 482 T CB -0.436 68.412 68.868 -0.033 0.000 0.855 482 T HN 0.440 nan 8.240 nan 0.000 0.536 483 F N 0.711 120.589 119.950 -0.121 0.000 2.604 483 F HA 0.273 4.800 4.527 0.001 0.000 0.298 483 F C 1.399 177.230 175.800 0.051 0.000 1.131 483 F CA 0.079 58.009 58.000 -0.117 0.000 1.457 483 F CB 0.044 38.877 39.000 -0.278 0.000 1.095 483 F HN 0.190 nan 8.300 nan 0.000 0.574 484 L N -0.976 120.440 121.223 0.323 0.000 2.783 484 L HA 0.109 4.450 4.340 0.001 0.000 0.236 484 L C 1.315 178.413 176.870 0.380 0.000 1.225 484 L CA -0.067 55.087 54.840 0.523 0.000 1.026 484 L CB -0.207 42.101 42.059 0.414 0.000 1.314 484 L HN -0.077 nan 8.230 nan 0.000 0.489 485 S N -0.980 114.832 115.700 0.185 0.000 2.558 485 S HA -0.068 4.403 4.470 0.001 0.000 0.217 485 S C 1.581 176.183 174.600 0.003 0.000 0.975 485 S CA 0.023 58.290 58.200 0.111 0.000 0.912 485 S CB -0.062 63.187 63.200 0.081 0.000 0.776 485 S HN 0.529 nan 8.310 nan 0.000 0.526 486 Y N 0.871 120.969 120.300 -0.336 0.000 2.293 486 Y HA -0.046 4.506 4.550 0.003 0.000 0.291 486 Y C 1.172 176.750 175.900 -0.536 0.000 1.137 486 Y CA 1.297 59.021 58.100 -0.627 0.000 1.202 486 Y CB 0.070 37.789 38.460 -1.234 0.000 0.990 486 Y HN 0.347 nan 8.280 nan 0.000 0.537 487 W N 0.002 121.394 121.300 0.153 0.000 3.102 487 W HA 0.338 4.998 4.660 0.000 0.000 0.401 487 W C -1.109 175.436 176.519 0.043 0.000 1.070 487 W CA -0.267 57.126 57.345 0.079 0.000 1.921 487 W CB 0.298 29.838 29.460 0.134 0.000 1.118 487 W HN -0.091 nan 8.180 nan 0.000 0.647 488 L N 0.589 121.927 121.223 0.191 0.000 2.406 488 L HA 0.289 4.629 4.340 0.001 0.000 0.272 488 L C 1.237 178.155 176.870 0.081 0.000 0.980 488 L CA -1.187 53.745 54.840 0.153 0.000 0.831 488 L CB 1.788 43.960 42.059 0.188 0.000 1.253 488 L HN -0.213 nan 8.230 nan 0.000 0.406 489 K N 2.307 122.751 120.400 0.074 0.000 2.001 489 K HA -0.031 4.290 4.320 0.001 0.000 0.214 489 K C 0.531 177.167 176.600 0.060 0.000 1.050 489 K CA 1.793 58.112 56.287 0.052 0.000 0.934 489 K CB 0.076 32.614 32.500 0.063 0.000 0.718 489 K HN 0.620 nan 8.250 nan 0.000 0.443 490 A N 2.450 125.322 122.820 0.087 0.000 2.969 490 A HA 0.314 4.635 4.320 0.001 0.000 0.328 490 A C -2.543 175.110 177.584 0.115 0.000 1.355 490 A CA -1.685 50.410 52.037 0.096 0.000 1.018 490 A CB 0.144 19.212 19.000 0.113 0.000 1.159 490 A HN -0.025 nan 8.150 nan 0.000 0.505 491 P HA -0.048 nan 4.420 nan 0.000 0.261 491 P C 0.088 177.470 177.300 0.138 0.000 1.173 491 P CA 0.221 63.393 63.100 0.119 0.000 0.760 491 P CB 0.470 32.227 31.700 0.095 0.000 0.783 492 L N 4.039 125.358 121.223 0.161 0.000 2.439 492 L HA 0.573 4.914 4.340 0.001 0.000 0.259 492 L C 0.407 177.370 176.870 0.154 0.000 1.129 492 L CA 0.452 55.396 54.840 0.173 0.000 0.803 492 L CB 1.088 43.275 42.059 0.213 0.000 1.161 492 L HN 0.565 nan 8.230 nan 0.000 0.462 493 T N 0.548 115.197 114.554 0.158 0.000 2.731 493 T HA 0.523 4.874 4.350 0.001 0.000 0.300 493 T C -0.618 174.190 174.700 0.179 0.000 1.283 493 T CA -1.020 61.182 62.100 0.169 0.000 1.005 493 T CB 1.542 70.507 68.868 0.163 0.000 1.420 493 T HN 0.794 nan 8.240 nan 0.000 0.503 494 R N 0.337 120.915 120.500 0.131 0.000 2.265 494 R HA 0.650 4.991 4.340 0.001 0.000 0.319 494 R C -2.826 173.399 176.300 -0.124 0.000 1.006 494 R CA -1.475 54.638 56.100 0.021 0.000 0.880 494 R CB -0.056 30.032 30.300 -0.353 0.000 1.077 494 R HN 0.324 nan 8.270 nan 0.000 0.454 495 P HA -0.090 nan 4.420 nan 0.000 0.269 495 P C 0.656 177.727 177.300 -0.381 0.000 1.185 495 P CA 1.761 64.770 63.100 -0.152 0.000 0.769 495 P CB 0.438 32.080 31.700 -0.095 0.000 0.809 496 G N -0.327 108.343 108.800 -0.217 0.000 2.253 496 G HA2 -0.229 3.732 3.960 0.001 0.000 0.251 496 G HA3 -0.229 3.732 3.960 0.001 0.000 0.251 496 G C -0.159 174.721 174.900 -0.033 0.000 0.998 496 G CA -0.344 44.615 45.100 -0.236 0.000 0.621 496 G HN 0.391 nan 8.290 nan 0.000 0.524 497 F N 1.581 121.569 119.950 0.064 0.000 2.495 497 F HA 0.595 5.123 4.527 0.001 0.000 0.327 497 F C 0.604 176.512 175.800 0.180 0.000 1.103 497 F CA -1.857 56.158 58.000 0.024 0.000 0.949 497 F CB 0.995 39.978 39.000 -0.029 0.000 1.142 497 F HN 0.148 nan 8.300 nan 0.000 0.457 498 H N 2.709 121.906 119.070 0.211 0.000 2.604 498 H HA 0.339 4.897 4.556 0.003 0.000 0.306 498 H C -2.064 173.321 175.328 0.094 0.000 1.075 498 H CA -1.962 54.157 56.048 0.118 0.000 1.357 498 H CB 0.750 30.561 29.762 0.081 0.000 1.426 498 H HN 0.326 nan 8.280 nan 0.000 0.470 499 P HA 0.044 nan 4.420 nan 0.000 0.281 499 P C -0.121 177.232 177.300 0.089 0.000 1.252 499 P CA -0.387 62.786 63.100 0.123 0.000 0.778 499 P CB 1.377 33.145 31.700 0.114 0.000 0.895 500 V N 4.085 124.034 119.914 0.060 0.000 2.614 500 V HA 0.040 4.161 4.120 0.001 0.000 0.291 500 V C 1.485 177.593 176.094 0.024 0.000 1.049 500 V CA 0.088 62.411 62.300 0.037 0.000 1.038 500 V CB 0.220 32.057 31.823 0.023 0.000 0.980 500 V HN 0.582 nan 8.190 nan 0.000 0.481 501 N N 3.105 121.809 118.700 0.008 0.000 2.203 501 N HA 0.080 4.821 4.740 0.001 0.000 0.207 501 N C 0.957 176.447 175.510 -0.033 0.000 1.130 501 N CA 0.189 53.231 53.050 -0.014 0.000 0.861 501 N CB 1.042 39.520 38.487 -0.017 0.000 1.005 501 N HN 0.803 nan 8.380 nan 0.000 0.507 502 G N 1.586 110.374 108.800 -0.019 0.000 2.469 502 G HA2 0.074 4.035 3.960 0.001 0.000 0.293 502 G HA3 0.074 4.035 3.960 0.001 0.000 0.293 502 G C 1.240 176.125 174.900 -0.025 0.000 0.982 502 G CA -0.347 44.741 45.100 -0.020 0.000 1.401 502 G HN 0.096 nan 8.290 nan 0.000 0.453 503 L N 3.427 124.613 121.223 -0.062 0.000 2.021 503 L HA -0.210 4.131 4.340 0.001 0.000 0.215 503 L C 2.503 179.398 176.870 0.041 0.000 1.074 503 L CA 2.001 56.786 54.840 -0.090 0.000 0.760 503 L CB -0.422 41.514 42.059 -0.204 0.000 0.889 503 L HN 0.528 nan 8.230 nan 0.000 0.433 504 N N -0.425 118.292 118.700 0.028 0.000 2.069 504 N HA -0.203 4.538 4.740 0.001 0.000 0.191 504 N C 1.702 177.235 175.510 0.038 0.000 1.031 504 N CA 1.728 54.804 53.050 0.045 0.000 0.852 504 N CB -0.198 38.306 38.487 0.028 0.000 1.018 504 N HN 0.382 nan 8.380 nan 0.000 0.423 505 K N 0.314 120.729 120.400 0.025 0.000 2.217 505 K HA -0.017 4.304 4.320 0.001 0.000 0.202 505 K C 1.819 178.435 176.600 0.027 0.000 1.051 505 K CA 0.741 57.041 56.287 0.021 0.000 0.952 505 K CB -0.021 32.489 32.500 0.016 0.000 0.736 505 K HN 0.330 nan 8.250 nan 0.000 0.453 506 Q N 0.148 119.972 119.800 0.040 0.000 2.297 506 Q HA -0.067 4.274 4.340 0.001 0.000 0.204 506 Q C 2.086 178.093 176.000 0.013 0.000 0.962 506 Q CA 0.774 56.605 55.803 0.047 0.000 0.879 506 Q CB 0.173 28.939 28.738 0.047 0.000 0.947 506 Q HN 0.170 nan 8.270 nan 0.000 0.462 507 R N -0.221 120.292 120.500 0.022 0.000 2.156 507 R HA 0.007 4.348 4.340 0.001 0.000 0.207 507 R C 1.707 177.944 176.300 -0.106 0.000 1.040 507 R CA 0.958 56.956 56.100 -0.170 0.000 1.013 507 R CB 0.122 30.328 30.300 -0.156 0.000 0.931 507 R HN 0.098 nan 8.270 nan 0.000 0.465 508 T N 1.150 115.681 114.554 -0.039 0.000 2.708 508 T HA -0.070 4.281 4.350 0.001 0.000 0.266 508 T C 1.788 176.464 174.700 -0.041 0.000 1.037 508 T CA 1.484 63.567 62.100 -0.027 0.000 1.146 508 T CB -0.215 68.652 68.868 -0.002 0.000 0.865 508 T HN 0.410 nan 8.240 nan 0.000 0.435 509 A N 1.253 124.056 122.820 -0.029 0.000 1.873 509 A HA -0.095 4.226 4.320 0.001 0.000 0.218 509 A C 2.235 179.700 177.584 -0.198 0.000 1.193 509 A CA 1.619 53.644 52.037 -0.019 0.000 0.629 509 A CB -1.022 18.032 19.000 0.091 0.000 0.826 509 A HN 0.418 nan 8.150 nan 0.000 0.447 510 L N 0.007 121.059 121.223 -0.286 0.000 1.989 510 L HA -0.208 4.133 4.340 0.001 0.000 0.211 510 L C 2.479 179.213 176.870 -0.227 0.000 1.071 510 L CA 2.753 57.352 54.840 -0.402 0.000 0.749 510 L CB -0.620 41.289 42.059 -0.249 0.000 0.890 510 L HN 0.652 nan 8.230 nan 0.000 0.431 511 E N -0.886 119.237 120.200 -0.129 0.000 2.085 511 E HA -0.281 4.070 4.350 0.001 0.000 0.194 511 E C 1.774 178.290 176.600 -0.140 0.000 0.994 511 E CA 1.522 57.852 56.400 -0.118 0.000 0.801 511 E CB -0.110 29.558 29.700 -0.053 0.000 0.743 511 E HN 0.546 nan 8.360 nan 0.000 0.453 512 N N -0.055 118.588 118.700 -0.095 0.000 2.381 512 N HA -0.131 4.610 4.740 0.001 0.000 0.182 512 N C 1.472 176.941 175.510 -0.068 0.000 1.025 512 N CA 0.715 53.729 53.050 -0.060 0.000 0.888 512 N CB -0.377 38.109 38.487 -0.001 0.000 0.965 512 N HN 0.299 nan 8.380 nan 0.000 0.438 513 F N 1.135 120.891 119.950 -0.323 0.000 2.113 513 F HA -0.134 4.394 4.527 0.002 0.000 0.297 513 F C 1.870 177.484 175.800 -0.311 0.000 1.103 513 F CA 0.550 58.327 58.000 -0.371 0.000 1.248 513 F CB 0.127 38.792 39.000 -0.558 0.000 0.999 513 F HN -0.089 nan 8.300 nan 0.000 0.475 514 L N 0.685 121.672 121.223 -0.394 0.000 2.013 514 L HA -0.247 4.094 4.340 0.001 0.000 0.212 514 L C 2.436 179.110 176.870 -0.327 0.000 1.073 514 L CA 1.787 56.350 54.840 -0.462 0.000 0.753 514 L CB -1.647 40.106 42.059 -0.510 0.000 0.890 514 L HN 0.208 nan 8.230 nan 0.000 0.432 515 R N -0.036 120.320 120.500 -0.240 0.000 2.103 515 R HA -0.232 4.109 4.340 0.001 0.000 0.234 515 R C 2.282 178.506 176.300 -0.127 0.000 1.132 515 R CA 1.966 57.975 56.100 -0.152 0.000 0.925 515 R CB -0.750 29.490 30.300 -0.099 0.000 0.842 515 R HN 0.367 nan 8.270 nan 0.000 0.430 516 L N -0.290 120.844 121.223 -0.149 0.000 2.043 516 L HA -0.140 4.201 4.340 0.001 0.000 0.212 516 L C 2.002 178.778 176.870 -0.157 0.000 1.075 516 L CA 1.655 56.419 54.840 -0.127 0.000 0.752 516 L CB -0.929 40.890 42.059 -0.400 0.000 0.891 516 L HN 0.022 nan 8.230 nan 0.000 0.432 517 L N 0.374 121.405 121.223 -0.319 0.000 2.189 517 L HA -0.098 4.243 4.340 0.001 0.000 0.214 517 L C 2.054 178.859 176.870 -0.109 0.000 1.097 517 L CA 1.856 56.526 54.840 -0.283 0.000 0.764 517 L CB -0.710 41.084 42.059 -0.442 0.000 0.900 517 L HN 0.693 nan 8.230 nan 0.000 0.436 518 I N -4.852 115.670 120.570 -0.079 0.000 3.816 518 I HA 0.507 4.677 4.170 0.001 0.000 0.334 518 I C 1.195 177.330 176.117 0.031 0.000 1.551 518 I CA 0.372 61.671 61.300 -0.001 0.000 1.153 518 I CB -0.223 37.780 38.000 0.005 0.000 1.197 518 I HN 0.175 nan 8.210 nan 0.000 0.439 519 G N 1.123 109.949 108.800 0.044 0.000 2.176 519 G HA2 -0.191 3.769 3.960 0.001 0.000 0.253 519 G HA3 -0.191 3.769 3.960 0.001 0.000 0.253 519 G C 0.005 174.944 174.900 0.064 0.000 0.979 519 G CA -0.029 45.116 45.100 0.076 0.000 0.641 519 G HN 0.306 nan 8.290 nan 0.000 0.530 520 L N 1.989 123.231 121.223 0.031 0.000 2.375 520 L HA 0.538 4.879 4.340 0.001 0.000 0.271 520 L C -1.174 175.725 176.870 0.049 0.000 1.107 520 L CA -1.924 52.928 54.840 0.021 0.000 0.806 520 L CB 0.549 42.596 42.059 -0.020 0.000 1.146 520 L HN 0.064 nan 8.230 nan 0.000 0.447 521 P HA 0.195 nan 4.420 nan 0.000 0.281 521 P C -0.749 176.580 177.300 0.048 0.000 1.281 521 P CA -0.528 62.619 63.100 0.078 0.000 0.811 521 P CB 0.875 32.605 31.700 0.049 0.000 1.154 522 S N 0.252 115.993 115.700 0.069 0.000 2.531 522 S HA 0.070 4.541 4.470 0.001 0.000 0.279 522 S C 0.545 175.143 174.600 -0.004 0.000 1.305 522 S CA -0.628 57.595 58.200 0.039 0.000 1.058 522 S CB -0.242 62.998 63.200 0.066 0.000 0.899 522 S HN 0.295 nan 8.310 nan 0.000 0.493 523 Q N 2.578 122.366 119.800 -0.020 0.000 2.368 523 Q HA -0.054 4.287 4.340 0.001 0.000 0.331 523 Q C 0.693 176.664 176.000 -0.049 0.000 1.086 523 Q CA 0.685 56.465 55.803 -0.039 0.000 1.031 523 Q CB 0.023 28.741 28.738 -0.033 0.000 1.125 523 Q HN 1.033 nan 8.270 nan 0.000 0.389 524 N N 0.588 119.242 118.700 -0.077 0.000 2.397 524 N HA -0.036 4.705 4.740 0.001 0.000 0.190 524 N C -0.257 175.184 175.510 -0.115 0.000 1.099 524 N CA 0.058 53.046 53.050 -0.104 0.000 0.876 524 N CB 0.498 38.893 38.487 -0.154 0.000 1.143 524 N HN 0.400 nan 8.380 nan 0.000 0.468 525 E N -0.568 119.567 120.200 -0.107 0.000 3.496 525 E HA -0.180 4.171 4.350 0.001 0.000 0.300 525 E C 0.543 177.072 176.600 -0.118 0.000 0.877 525 E CA 0.548 56.896 56.400 -0.087 0.000 1.050 525 E CB -1.793 27.876 29.700 -0.051 0.000 1.532 525 E HN 0.498 nan 8.360 nan 0.000 0.447 526 L N 0.047 121.133 121.223 -0.228 0.000 2.376 526 L HA 0.052 4.393 4.340 0.001 0.000 0.219 526 L C 1.114 177.856 176.870 -0.212 0.000 1.133 526 L CA 0.486 55.110 54.840 -0.359 0.000 0.816 526 L CB -0.235 41.281 42.059 -0.905 0.000 0.933 526 L HN 0.075 nan 8.230 nan 0.000 0.449 527 R N -0.170 120.252 120.500 -0.129 0.000 2.916 527 R HA -0.235 4.106 4.340 0.001 0.000 0.232 527 R C 0.808 177.198 176.300 0.149 0.000 0.833 527 R CA 0.263 56.362 56.100 -0.002 0.000 0.566 527 R CB -1.961 28.349 30.300 0.018 0.000 1.058 527 R HN 0.384 nan 8.270 nan 0.000 0.498 528 F N 0.850 120.796 119.950 -0.007 0.000 2.546 528 F HA -0.123 4.405 4.527 0.002 0.000 0.298 528 F C 2.208 178.004 175.800 -0.006 0.000 1.120 528 F CA 0.352 58.348 58.000 -0.006 0.000 1.456 528 F CB 0.157 39.153 39.000 -0.007 0.000 1.088 528 F HN 0.300 nan 8.300 nan 0.000 0.572 529 E N 0.824 121.129 120.200 0.176 0.000 2.476 529 E HA -0.119 4.231 4.350 0.001 0.000 0.191 529 E C 1.004 177.642 176.600 0.064 0.000 1.064 529 E CA 0.437 56.892 56.400 0.092 0.000 0.866 529 E CB -0.090 29.647 29.700 0.061 0.000 0.952 529 E HN 0.609 nan 8.360 nan 0.000 0.492 530 E N 0.956 121.204 120.200 0.080 0.000 2.475 530 E HA 0.101 4.452 4.350 0.001 0.000 0.205 530 E C 1.791 178.424 176.600 0.055 0.000 0.822 530 E CA -0.214 56.219 56.400 0.055 0.000 1.240 530 E CB 0.335 30.064 29.700 0.049 0.000 1.222 530 E HN 0.009 nan 8.360 nan 0.000 0.581 531 R N 0.016 120.571 120.500 0.092 0.000 2.153 531 R HA 0.115 4.456 4.340 0.001 0.000 0.218 531 R C 0.058 176.363 176.300 0.010 0.000 1.072 531 R CA 0.371 56.517 56.100 0.077 0.000 0.990 531 R CB 0.188 30.584 30.300 0.159 0.000 0.889 531 R HN 0.053 nan 8.270 nan 0.000 0.452 532 L N 0.591 121.806 121.223 -0.013 0.000 2.334 532 L HA 0.287 4.628 4.340 0.001 0.000 0.272 532 L C 0.394 177.236 176.870 -0.045 0.000 1.020 532 L CA -0.490 54.294 54.840 -0.093 0.000 0.812 532 L CB 1.090 43.019 42.059 -0.216 0.000 1.264 532 L HN -0.071 nan 8.230 nan 0.000 0.439 533 L N 0.000 121.191 121.223 -0.053 0.000 2.949 533 L HA 0.000 4.341 4.340 0.001 0.000 0.249 533 L CA 0.000 54.821 54.840 -0.032 0.000 0.813 533 L CB 0.000 42.037 42.059 -0.036 0.000 0.961 533 L HN 0.000 nan 8.230 nan 0.000 0.502