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 3oee_1_S DATA FIRST_RESID 27 DATA SEQUENCE LNETGRVLAV GDGIARVFGL NNIQAEELVE FSSGVKGMAL NLEPGQVGIV DATA SEQUENCE LFGSDRLVKE GELVKRTGNI VDVPVGPGLL GRVVDALGNP IDGKGPIDAA DATA SEQUENCE GRSRAQVKAP GILPRRSVHE PVQTGLKAVD ALVPIGRGQR ELIIGDRQTG DATA SEQUENCE KTAVALDTIL NQKRWNNGSD ESKKLYCVYV AVGQKRSTVA QLVQTLEQHD DATA SEQUENCE AMKYSIIVAA TASEAAPLQY LAPFTAASIG EWFRDNGKHA LIVYDDLSKQ DATA SEQUENCE AVAYRQLSLL LRRPPGREAY PGDVFYLHSR LLERAAKLSE KEGSGSLTAL DATA SEQUENCE PVIETQGGDV SAYIPTNVIS ITDGQIFLEA ELFYKGIRPA INVGLSVSRV DATA SEQUENCE GSAAQVKALK QVAGSLKLFL AQYREVAASA QXXXXXXAST KQTLVRGERL DATA SEQUENCE TQLLKQNQYS PLATEEQVPL IYAGVNGHLD GIELSRIGEF ESSFLSYLKS DATA SEQUENCE NHNELLTEIR EKGELSKELL ASLKSATESF VAT 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 27 L HA 0.000 nan 4.340 nan 0.000 0.249 27 L C 0.000 176.875 176.870 0.008 0.000 1.165 27 L CA 0.000 54.830 54.840 -0.017 0.000 0.813 27 L CB 0.000 42.045 42.059 -0.024 0.000 0.961 28 N N 0.814 119.515 118.700 0.003 0.000 2.220 28 N HA -0.012 4.728 4.740 -0.000 0.000 0.182 28 N C 1.329 176.841 175.510 0.003 0.000 1.023 28 N CA 1.313 54.368 53.050 0.008 0.000 0.856 28 N CB 0.291 38.781 38.487 0.005 0.000 0.997 28 N HN 0.354 nan 8.380 nan 0.000 0.429 29 E N -0.053 120.143 120.200 -0.007 0.000 2.431 29 E HA 0.068 4.418 4.350 -0.000 0.000 0.200 29 E C 0.017 176.601 176.600 -0.026 0.000 0.995 29 E CA 0.307 56.699 56.400 -0.013 0.000 0.915 29 E CB 0.540 30.232 29.700 -0.014 0.000 0.930 29 E HN 0.299 nan 8.360 nan 0.000 0.496 30 T N -0.336 114.202 114.554 -0.027 0.000 2.770 30 T HA 0.649 4.999 4.350 -0.000 0.000 0.283 30 T C 0.242 174.917 174.700 -0.042 0.000 0.988 30 T CA -0.795 61.280 62.100 -0.042 0.000 0.957 30 T CB 2.033 70.876 68.868 -0.041 0.000 0.930 30 T HN 0.010 nan 8.240 nan 0.000 0.443 31 G N 2.068 110.833 108.800 -0.059 0.000 2.441 31 G HA2 0.701 4.661 3.960 -0.000 0.000 0.334 31 G HA3 0.701 4.661 3.960 -0.000 0.000 0.334 31 G C -0.937 173.935 174.900 -0.047 0.000 1.161 31 G CA -1.086 43.990 45.100 -0.040 0.000 0.935 31 G HN 0.639 nan 8.290 nan 0.000 0.488 32 R N -0.543 119.955 120.500 -0.003 0.000 2.686 32 R HA 0.527 4.867 4.340 -0.000 0.000 0.286 32 R C -0.521 175.830 176.300 0.085 0.000 0.969 32 R CA -0.651 55.458 56.100 0.014 0.000 0.898 32 R CB 2.186 32.469 30.300 -0.028 0.000 1.183 32 R HN 0.360 nan 8.270 nan 0.000 0.456 33 V N 4.907 124.882 119.914 0.102 0.000 2.488 33 V HA 0.108 4.228 4.120 -0.000 0.000 0.277 33 V C 1.170 177.344 176.094 0.132 0.000 1.046 33 V CA 0.026 62.412 62.300 0.144 0.000 0.986 33 V CB 1.022 32.960 31.823 0.192 0.000 0.989 33 V HN 0.700 nan 8.190 nan 0.000 0.475 34 L N 3.817 125.121 121.223 0.136 0.000 2.416 34 L HA 0.488 4.828 4.340 -0.000 0.000 0.216 34 L C 0.801 177.719 176.870 0.080 0.000 1.098 34 L CA 0.810 55.720 54.840 0.116 0.000 0.840 34 L CB 0.365 42.489 42.059 0.107 0.000 0.981 34 L HN 0.819 nan 8.230 nan 0.000 0.462 35 A N -0.945 121.923 122.820 0.079 0.000 2.590 35 A HA 0.566 4.886 4.320 -0.000 0.000 0.296 35 A C -1.813 175.806 177.584 0.058 0.000 1.050 35 A CA -0.369 51.701 52.037 0.056 0.000 0.697 35 A CB 1.487 20.509 19.000 0.036 0.000 1.277 35 A HN -0.235 nan 8.150 nan 0.000 0.411 36 V N 0.554 120.489 119.914 0.036 0.000 2.925 36 V HA 0.986 5.106 4.120 -0.000 0.000 0.311 36 V C -0.017 176.074 176.094 -0.005 0.000 1.104 36 V CA 0.713 63.021 62.300 0.014 0.000 0.954 36 V CB 2.170 33.990 31.823 -0.004 0.000 1.022 36 V HN 2.421 nan 8.190 nan 0.000 0.427 37 G N 2.962 111.752 108.800 -0.018 0.000 2.498 37 G HA2 0.487 4.447 3.960 -0.000 0.000 0.301 37 G HA3 0.487 4.447 3.960 -0.000 0.000 0.301 37 G C -0.795 174.086 174.900 -0.031 0.000 1.577 37 G CA 0.069 45.156 45.100 -0.022 0.000 0.868 37 G HN 0.846 nan 8.290 nan 0.000 0.599 38 D N -0.316 120.064 120.400 -0.033 0.000 2.911 38 D HA -0.157 4.482 4.640 -0.000 0.000 0.227 38 D C 1.531 177.803 176.300 -0.047 0.000 1.164 38 D CA 2.930 56.908 54.000 -0.037 0.000 0.782 38 D CB -1.133 39.645 40.800 -0.037 0.000 1.094 38 D HN 2.304 nan 8.370 nan 0.000 0.425 39 G N -0.621 108.146 108.800 -0.054 0.000 2.212 39 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.255 39 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.255 39 G C -0.035 174.827 174.900 -0.063 0.000 1.062 39 G CA 0.252 45.312 45.100 -0.066 0.000 0.815 39 G HN 0.439 nan 8.290 nan 0.000 0.497 40 I N -0.072 120.470 120.570 -0.046 0.000 2.569 40 I HA 0.722 4.892 4.170 -0.000 0.000 0.290 40 I C 0.010 176.131 176.117 0.007 0.000 1.088 40 I CA -1.029 60.257 61.300 -0.023 0.000 1.047 40 I CB 1.909 39.892 38.000 -0.029 0.000 1.237 40 I HN 0.647 nan 8.210 nan 0.000 0.421 41 A N 6.962 129.818 122.820 0.059 0.000 2.466 41 A HA 0.677 4.996 4.320 -0.000 0.000 0.291 41 A C -0.375 177.284 177.584 0.124 0.000 1.234 41 A CA -0.736 51.371 52.037 0.116 0.000 0.752 41 A CB 0.626 19.761 19.000 0.224 0.000 1.153 41 A HN 0.676 nan 8.150 nan 0.000 0.458 42 R N 0.862 121.410 120.500 0.080 0.000 2.489 42 R HA 0.449 4.788 4.340 -0.000 0.000 0.287 42 R C -0.598 175.756 176.300 0.091 0.000 1.053 42 R CA 0.008 56.146 56.100 0.063 0.000 1.036 42 R CB 0.844 31.163 30.300 0.031 0.000 0.966 42 R HN 0.342 nan 8.270 nan 0.000 0.432 43 V N 4.365 124.330 119.914 0.086 0.000 2.656 43 V HA 0.268 4.388 4.120 -0.000 0.000 0.307 43 V C -0.738 175.443 176.094 0.146 0.000 1.051 43 V CA -0.761 61.608 62.300 0.114 0.000 0.893 43 V CB 1.825 33.698 31.823 0.084 0.000 0.999 43 V HN 0.665 nan 8.190 nan 0.000 0.426 44 F N 4.611 124.568 119.950 0.012 0.000 2.390 44 F HA 0.642 5.169 4.527 -0.000 0.000 0.361 44 F C 0.857 176.654 175.800 -0.004 0.000 1.124 44 F CA 0.996 59.000 58.000 0.006 0.000 1.149 44 F CB 0.566 39.571 39.000 0.008 0.000 1.160 44 F HN 0.793 nan 8.300 nan 0.000 0.501 45 G N 3.795 112.880 108.800 0.475 0.000 2.250 45 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.189 45 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.189 45 G C -0.079 174.893 174.900 0.120 0.000 1.298 45 G CA -0.512 44.723 45.100 0.225 0.000 1.246 45 G HN 1.008 nan 8.290 nan 0.000 0.513 46 L N 0.195 121.451 121.223 0.054 0.000 3.970 46 L HA -0.233 4.107 4.340 -0.000 0.000 0.425 46 L C 1.628 178.519 176.870 0.035 0.000 1.162 46 L CA 1.888 56.744 54.840 0.027 0.000 0.968 46 L CB -1.703 40.365 42.059 0.014 0.000 1.896 46 L HN 0.684 nan 8.230 nan 0.000 1.006 47 N N -0.272 118.457 118.700 0.047 0.000 2.096 47 N HA -0.175 4.565 4.740 -0.000 0.000 0.195 47 N C 1.012 176.540 175.510 0.029 0.000 1.017 47 N CA 2.072 55.149 53.050 0.044 0.000 0.870 47 N CB -0.275 38.242 38.487 0.050 0.000 1.024 47 N HN 0.561 nan 8.380 nan 0.000 0.434 48 N N 0.094 118.807 118.700 0.022 0.000 2.322 48 N HA 0.101 4.841 4.740 -0.000 0.000 0.216 48 N C -0.353 175.167 175.510 0.016 0.000 1.144 48 N CA -0.172 52.889 53.050 0.017 0.000 0.830 48 N CB -0.159 38.335 38.487 0.013 0.000 1.034 48 N HN 0.302 nan 8.380 nan 0.000 0.484 49 I N 0.938 121.519 120.570 0.019 0.000 2.634 49 I HA -0.044 4.126 4.170 -0.000 0.000 0.284 49 I C 0.771 176.903 176.117 0.025 0.000 1.124 49 I CA -0.138 61.175 61.300 0.021 0.000 1.417 49 I CB 0.676 38.690 38.000 0.024 0.000 1.396 49 I HN 0.133 nan 8.210 nan 0.000 0.571 50 Q N 4.562 124.377 119.800 0.026 0.000 2.370 50 Q HA 0.540 4.880 4.340 -0.000 0.000 0.186 50 Q C -0.463 175.559 176.000 0.036 0.000 1.093 50 Q CA -0.660 55.160 55.803 0.028 0.000 1.142 50 Q CB 0.364 29.118 28.738 0.027 0.000 1.175 50 Q HN 0.790 nan 8.270 nan 0.000 0.625 51 A N 0.647 123.489 122.820 0.038 0.000 2.276 51 A HA 0.312 4.632 4.320 -0.000 0.000 0.300 51 A C -0.497 177.120 177.584 0.054 0.000 1.235 51 A CA -0.196 51.869 52.037 0.047 0.000 0.867 51 A CB -0.006 19.021 19.000 0.046 0.000 1.137 51 A HN 0.837 nan 8.150 nan 0.000 0.527 52 E N 0.119 120.361 120.200 0.070 0.000 2.596 52 E HA -0.161 4.189 4.350 -0.000 0.000 0.272 52 E C -0.185 176.466 176.600 0.085 0.000 1.039 52 E CA 1.112 57.566 56.400 0.089 0.000 0.804 52 E CB -1.272 28.477 29.700 0.081 0.000 1.373 52 E HN 0.852 nan 8.360 nan 0.000 0.404 53 E N 0.659 120.906 120.200 0.080 0.000 2.191 53 E HA 0.362 4.712 4.350 -0.000 0.000 0.278 53 E C -0.420 176.235 176.600 0.092 0.000 0.972 53 E CA -0.880 55.562 56.400 0.070 0.000 0.804 53 E CB 0.940 30.669 29.700 0.048 0.000 1.110 53 E HN 0.048 nan 8.360 nan 0.000 0.394 54 L N 4.388 125.663 121.223 0.086 0.000 2.467 54 L HA 0.193 4.533 4.340 -0.000 0.000 0.270 54 L C -0.378 176.536 176.870 0.073 0.000 1.205 54 L CA 0.296 55.197 54.840 0.101 0.000 0.828 54 L CB 1.184 43.274 42.059 0.053 0.000 1.101 54 L HN 0.416 nan 8.230 nan 0.000 0.479 55 V N 0.690 120.662 119.914 0.096 0.000 3.167 55 V HA 0.752 4.872 4.120 -0.000 0.000 0.310 55 V C -1.080 175.048 176.094 0.058 0.000 1.207 55 V CA -0.771 61.550 62.300 0.036 0.000 1.059 55 V CB 1.957 33.764 31.823 -0.027 0.000 1.079 55 V HN 0.868 nan 8.190 nan 0.000 0.446 56 E N 0.687 120.880 120.200 -0.012 0.000 2.287 56 E HA 0.445 4.795 4.350 -0.000 0.000 0.274 56 E C -2.023 174.582 176.600 0.008 0.000 0.896 56 E CA -0.500 55.936 56.400 0.061 0.000 0.788 56 E CB 1.909 31.627 29.700 0.029 0.000 1.244 56 E HN 0.618 nan 8.360 nan 0.000 0.408 57 F N 1.264 121.235 119.950 0.036 0.000 2.375 57 F HA 0.179 4.706 4.527 -0.000 0.000 0.313 57 F C 1.878 177.692 175.800 0.024 0.000 1.176 57 F CA -0.085 57.937 58.000 0.035 0.000 1.142 57 F CB 1.303 40.330 39.000 0.045 0.000 1.275 57 F HN 0.424 nan 8.300 nan 0.000 0.544 58 S N -0.567 115.266 115.700 0.222 0.000 2.561 58 S HA -0.085 4.385 4.470 -0.000 0.000 0.225 58 S C 1.826 176.498 174.600 0.118 0.000 0.977 58 S CA 0.916 59.191 58.200 0.126 0.000 0.926 58 S CB -0.377 62.877 63.200 0.092 0.000 0.769 58 S HN 0.662 nan 8.310 nan 0.000 0.533 59 S N -0.396 115.396 115.700 0.152 0.000 2.439 59 S HA 0.410 4.880 4.470 -0.000 0.000 0.224 59 S C 1.594 176.239 174.600 0.076 0.000 1.029 59 S CA 0.721 58.975 58.200 0.090 0.000 0.946 59 S CB 0.168 63.404 63.200 0.060 0.000 0.797 59 S HN 0.585 nan 8.310 nan 0.000 0.504 60 G N 0.518 109.382 108.800 0.105 0.000 3.288 60 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.195 60 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.195 60 G C 0.067 175.024 174.900 0.096 0.000 1.093 60 G CA -0.224 44.924 45.100 0.079 0.000 0.852 60 G HN 0.738 nan 8.290 nan 0.000 0.453 61 V N 2.842 122.814 119.914 0.095 0.000 2.720 61 V HA 0.359 4.479 4.120 -0.000 0.000 0.307 61 V C 0.814 177.029 176.094 0.201 0.000 1.071 61 V CA 0.616 62.972 62.300 0.093 0.000 1.199 61 V CB 0.917 32.741 31.823 0.001 0.000 0.900 61 V HN 0.389 nan 8.190 nan 0.000 0.494 62 K N 3.929 124.426 120.400 0.162 0.000 2.126 62 K HA 0.658 4.978 4.320 -0.000 0.000 0.257 62 K C 0.084 176.983 176.600 0.498 0.000 1.007 62 K CA 0.213 56.612 56.287 0.188 0.000 0.928 62 K CB 1.434 33.822 32.500 -0.186 0.000 1.013 62 K HN 0.945 nan 8.250 nan 0.000 0.473 63 G N 0.982 110.124 108.800 0.570 0.000 2.696 63 G HA2 0.501 4.461 3.960 -0.000 0.000 0.295 63 G HA3 0.501 4.461 3.960 -0.000 0.000 0.295 63 G C -1.704 173.556 174.900 0.600 0.000 1.398 63 G CA -0.718 44.791 45.100 0.682 0.000 0.920 63 G HN 0.511 nan 8.290 nan 0.000 0.492 64 M N 2.035 121.924 119.600 0.482 0.000 2.243 64 M HA 0.689 5.169 4.480 -0.000 0.000 0.324 64 M C -0.088 176.330 176.300 0.196 0.000 1.031 64 M CA -0.837 54.671 55.300 0.347 0.000 0.949 64 M CB 1.686 34.487 32.600 0.335 0.000 1.615 64 M HN 0.644 nan 8.290 nan 0.000 0.430 65 A N 5.622 128.538 122.820 0.160 0.000 2.310 65 A HA 0.480 4.800 4.320 -0.000 0.000 0.300 65 A C -0.123 177.518 177.584 0.096 0.000 1.269 65 A CA -0.420 51.682 52.037 0.109 0.000 0.909 65 A CB 0.011 19.061 19.000 0.084 0.000 1.144 65 A HN 1.096 nan 8.150 nan 0.000 0.540 66 L N 1.636 122.902 121.223 0.072 0.000 2.624 66 L HA 0.200 4.540 4.340 -0.000 0.000 0.222 66 L C -0.002 176.889 176.870 0.036 0.000 1.046 66 L CA 0.238 55.113 54.840 0.057 0.000 0.872 66 L CB 0.287 42.361 42.059 0.026 0.000 1.190 66 L HN 0.599 nan 8.230 nan 0.000 0.487 67 N N 1.056 119.770 118.700 0.023 0.000 2.621 67 N HA 0.401 5.141 4.740 -0.000 0.000 0.237 67 N C -1.133 174.387 175.510 0.017 0.000 0.997 67 N CA -0.092 52.966 53.050 0.013 0.000 0.918 67 N CB 0.848 39.333 38.487 -0.004 0.000 1.122 67 N HN 0.012 nan 8.380 nan 0.000 0.510 68 L N 0.668 121.903 121.223 0.020 0.000 2.326 68 L HA 0.526 4.866 4.340 -0.000 0.000 0.278 68 L C 0.518 177.391 176.870 0.004 0.000 1.092 68 L CA -0.242 54.607 54.840 0.016 0.000 0.810 68 L CB 0.981 43.053 42.059 0.022 0.000 1.153 68 L HN 0.416 nan 8.230 nan 0.000 0.439 69 E N 2.572 122.769 120.200 -0.006 0.000 2.413 69 E HA 0.311 4.660 4.350 -0.000 0.000 0.277 69 E C -2.065 174.515 176.600 -0.033 0.000 0.958 69 E CA -1.494 54.894 56.400 -0.020 0.000 0.779 69 E CB 2.743 32.425 29.700 -0.029 0.000 1.278 69 E HN 0.282 nan 8.360 nan 0.000 0.456 70 P HA -0.046 nan 4.420 nan 0.000 0.219 70 P C 0.758 178.002 177.300 -0.092 0.000 1.146 70 P CA 1.242 64.313 63.100 -0.049 0.000 0.808 70 P CB 0.290 31.965 31.700 -0.041 0.000 0.779 71 G N -1.917 106.808 108.800 -0.126 0.000 2.673 71 G HA2 0.060 4.020 3.960 -0.000 0.000 0.208 71 G HA3 0.060 4.020 3.960 -0.000 0.000 0.208 71 G C 0.563 175.277 174.900 -0.310 0.000 1.128 71 G CA 0.143 45.103 45.100 -0.233 0.000 0.805 71 G HN 0.417 nan 8.290 nan 0.000 0.526 72 Q N -1.528 118.174 119.800 -0.163 0.000 2.833 72 Q HA 0.609 4.949 4.340 -0.000 0.000 0.340 72 Q C -2.145 173.838 176.000 -0.028 0.000 0.800 72 Q CA -0.722 55.020 55.803 -0.102 0.000 0.821 72 Q CB 1.768 30.454 28.738 -0.086 0.000 1.340 72 Q HN -0.021 nan 8.270 nan 0.000 0.515 73 V N 0.556 120.477 119.914 0.010 0.000 2.524 73 V HA 0.515 4.635 4.120 -0.000 0.000 0.297 73 V C -0.075 176.042 176.094 0.038 0.000 1.035 73 V CA -0.260 62.054 62.300 0.024 0.000 0.867 73 V CB 1.572 33.416 31.823 0.035 0.000 1.004 73 V HN 0.841 nan 8.190 nan 0.000 0.426 74 G N 5.607 114.424 108.800 0.027 0.000 2.346 74 G HA2 0.501 4.461 3.960 -0.000 0.000 0.275 74 G HA3 0.501 4.461 3.960 -0.000 0.000 0.275 74 G C -0.491 174.439 174.900 0.051 0.000 1.190 74 G CA 0.041 45.160 45.100 0.031 0.000 1.015 74 G HN 0.616 nan 8.290 nan 0.000 0.441 75 I N 3.082 123.704 120.570 0.087 0.000 2.389 75 I HA 0.220 4.390 4.170 -0.000 0.000 0.288 75 I C 0.465 176.647 176.117 0.110 0.000 0.999 75 I CA -1.081 60.296 61.300 0.128 0.000 1.129 75 I CB 2.060 40.187 38.000 0.212 0.000 1.288 75 I HN 0.396 nan 8.210 nan 0.000 0.444 76 V N 5.687 125.637 119.914 0.060 0.000 2.732 76 V HA 0.511 4.631 4.120 -0.000 0.000 0.297 76 V C -0.005 176.078 176.094 -0.019 0.000 1.060 76 V CA -0.514 61.773 62.300 -0.021 0.000 1.038 76 V CB 1.100 32.863 31.823 -0.099 0.000 1.003 76 V HN 0.548 nan 8.190 nan 0.000 0.481 77 L N 2.308 123.481 121.223 -0.083 0.000 2.376 77 L HA 0.551 4.891 4.340 -0.000 0.000 0.267 77 L C 0.398 177.170 176.870 -0.164 0.000 1.035 77 L CA -0.421 54.396 54.840 -0.039 0.000 0.800 77 L CB 1.087 43.097 42.059 -0.081 0.000 1.290 77 L HN 0.614 nan 8.230 nan 0.000 0.462 78 F N -0.818 119.145 119.950 0.021 0.000 2.752 78 F HA 0.339 4.866 4.527 -0.000 0.000 0.310 78 F C 1.019 176.829 175.800 0.017 0.000 1.097 78 F CA -0.071 57.952 58.000 0.038 0.000 1.238 78 F CB 1.101 40.134 39.000 0.056 0.000 1.061 78 F HN 0.508 nan 8.300 nan 0.000 0.591 79 G N -0.842 108.043 108.800 0.142 0.000 3.022 79 G HA2 0.353 4.313 3.960 -0.000 0.000 0.284 79 G HA3 0.353 4.313 3.960 -0.000 0.000 0.284 79 G C -0.997 173.910 174.900 0.011 0.000 1.375 79 G CA -0.666 44.477 45.100 0.070 0.000 0.902 79 G HN -0.124 nan 8.290 nan 0.000 0.538 80 S N -0.650 115.051 115.700 0.002 0.000 2.593 80 S HA 0.010 4.480 4.470 -0.000 0.000 0.300 80 S C 1.217 175.790 174.600 -0.045 0.000 1.267 80 S CA 0.731 58.921 58.200 -0.017 0.000 1.065 80 S CB 0.351 63.545 63.200 -0.010 0.000 0.807 80 S HN 0.639 nan 8.310 nan 0.000 0.499 81 D N 3.691 124.059 120.400 -0.053 0.000 2.352 81 D HA -0.038 4.601 4.640 -0.000 0.000 0.232 81 D C 1.589 177.849 176.300 -0.065 0.000 1.055 81 D CA 0.210 54.162 54.000 -0.079 0.000 0.891 81 D CB -0.103 40.652 40.800 -0.074 0.000 0.897 81 D HN 0.658 nan 8.370 nan 0.000 0.529 82 R N 0.636 121.110 120.500 -0.044 0.000 2.096 82 R HA -0.064 4.276 4.340 -0.000 0.000 0.235 82 R C 1.781 178.060 176.300 -0.035 0.000 1.127 82 R CA 0.981 57.062 56.100 -0.031 0.000 0.968 82 R CB -0.359 29.929 30.300 -0.019 0.000 0.861 82 R HN 0.264 nan 8.270 nan 0.000 0.440 83 L N 0.940 122.135 121.223 -0.046 0.000 2.261 83 L HA -0.048 4.292 4.340 -0.000 0.000 0.216 83 L C 0.488 177.331 176.870 -0.045 0.000 1.114 83 L CA 0.380 55.196 54.840 -0.041 0.000 0.777 83 L CB -0.190 41.842 42.059 -0.044 0.000 0.910 83 L HN 0.014 nan 8.230 nan 0.000 0.440 84 V N -1.007 118.859 119.914 -0.081 0.000 2.850 84 V HA 0.420 4.540 4.120 -0.000 0.000 0.315 84 V C -0.179 175.908 176.094 -0.012 0.000 1.064 84 V CA -0.875 61.386 62.300 -0.065 0.000 0.979 84 V CB 1.890 33.594 31.823 -0.199 0.000 1.039 84 V HN 0.090 nan 8.190 nan 0.000 0.452 85 K N 0.299 120.718 120.400 0.032 0.000 2.522 85 K HA 0.417 4.737 4.320 -0.000 0.000 0.275 85 K C -0.994 175.645 176.600 0.065 0.000 1.006 85 K CA -0.858 55.452 56.287 0.038 0.000 0.890 85 K CB 2.194 34.715 32.500 0.034 0.000 1.475 85 K HN 0.759 nan 8.250 nan 0.000 0.441 86 E N 0.694 120.927 120.200 0.055 0.000 2.180 86 E HA 0.221 4.571 4.350 -0.000 0.000 0.283 86 E C 0.145 176.781 176.600 0.061 0.000 1.061 86 E CA 0.710 57.149 56.400 0.064 0.000 0.861 86 E CB 0.417 30.148 29.700 0.052 0.000 1.056 86 E HN 0.758 nan 8.360 nan 0.000 0.407 87 G N 4.547 113.390 108.800 0.072 0.000 2.697 87 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.200 87 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.200 87 G C 0.227 175.159 174.900 0.054 0.000 1.106 87 G CA -0.029 45.103 45.100 0.053 0.000 0.748 87 G HN 0.649 nan 8.290 nan 0.000 0.503 88 E N 1.579 121.822 120.200 0.073 0.000 2.708 88 E HA 0.214 4.564 4.350 -0.000 0.000 0.260 88 E C 0.550 177.201 176.600 0.085 0.000 0.937 88 E CA -0.037 56.415 56.400 0.086 0.000 0.953 88 E CB 0.332 30.105 29.700 0.121 0.000 0.915 88 E HN 0.716 nan 8.360 nan 0.000 0.487 89 L N 4.462 125.711 121.223 0.043 0.000 2.436 89 L HA 0.373 4.713 4.340 -0.000 0.000 0.265 89 L C -1.076 175.747 176.870 -0.077 0.000 1.168 89 L CA -0.582 54.251 54.840 -0.012 0.000 0.815 89 L CB 1.146 43.191 42.059 -0.023 0.000 1.109 89 L HN 0.411 nan 8.230 nan 0.000 0.462 90 V N 3.128 122.938 119.914 -0.173 0.000 2.656 90 V HA 0.536 4.656 4.120 -0.000 0.000 0.307 90 V C -0.407 175.563 176.094 -0.208 0.000 1.051 90 V CA -0.894 61.194 62.300 -0.352 0.000 0.893 90 V CB 1.579 33.051 31.823 -0.586 0.000 0.999 90 V HN 0.740 nan 8.190 nan 0.000 0.426 91 K N 2.155 122.445 120.400 -0.183 0.000 2.267 91 K HA 0.643 4.963 4.320 -0.000 0.000 0.246 91 K C -0.205 176.342 176.600 -0.089 0.000 0.954 91 K CA -0.911 55.315 56.287 -0.103 0.000 0.824 91 K CB 2.763 35.225 32.500 -0.063 0.000 1.167 91 K HN 0.570 nan 8.250 nan 0.000 0.431 92 R N -0.412 120.056 120.500 -0.054 0.000 2.697 92 R HA 0.138 4.478 4.340 -0.000 0.000 0.262 92 R C 0.598 176.885 176.300 -0.022 0.000 1.255 92 R CA 0.773 56.854 56.100 -0.032 0.000 1.136 92 R CB 0.413 30.702 30.300 -0.019 0.000 1.169 92 R HN 0.874 nan 8.270 nan 0.000 0.594 93 T N -4.008 110.541 114.554 -0.009 0.000 3.191 93 T HA 0.185 4.535 4.350 -0.000 0.000 0.285 93 T C 0.962 175.661 174.700 -0.002 0.000 0.887 93 T CA 0.186 62.282 62.100 -0.006 0.000 0.881 93 T CB 0.808 69.673 68.868 -0.005 0.000 1.217 93 T HN 0.788 nan 8.240 nan 0.000 0.591 94 G N 1.879 110.680 108.800 0.002 0.000 2.187 94 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.261 94 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.261 94 G C -0.295 174.610 174.900 0.008 0.000 1.000 94 G CA 0.194 45.297 45.100 0.005 0.000 0.718 94 G HN 0.680 nan 8.290 nan 0.000 0.519 95 N N -0.181 118.525 118.700 0.011 0.000 2.410 95 N HA 0.481 5.221 4.740 -0.000 0.000 0.287 95 N C 0.038 175.561 175.510 0.023 0.000 1.044 95 N CA -0.759 52.299 53.050 0.013 0.000 0.881 95 N CB 1.052 39.544 38.487 0.007 0.000 1.405 95 N HN 0.030 nan 8.380 nan 0.000 0.490 96 I N 2.110 122.694 120.570 0.023 0.000 2.533 96 I HA 0.054 4.224 4.170 -0.000 0.000 0.284 96 I C 0.542 176.676 176.117 0.028 0.000 1.109 96 I CA -0.377 60.940 61.300 0.029 0.000 1.412 96 I CB 0.119 38.131 38.000 0.020 0.000 1.396 96 I HN 0.222 nan 8.210 nan 0.000 0.543 97 V N 7.430 127.370 119.914 0.044 0.000 2.621 97 V HA -0.137 3.983 4.120 -0.000 0.000 0.300 97 V C 0.509 176.621 176.094 0.030 0.000 1.031 97 V CA 0.489 62.817 62.300 0.047 0.000 1.210 97 V CB -0.759 31.117 31.823 0.088 0.000 0.864 97 V HN 0.910 nan 8.190 nan 0.000 0.477 98 D N 4.131 124.546 120.400 0.025 0.000 2.758 98 D HA 0.688 5.328 4.640 -0.000 0.000 0.279 98 D C -0.915 175.401 176.300 0.027 0.000 1.111 98 D CA -0.800 53.215 54.000 0.025 0.000 1.109 98 D CB 2.222 43.034 40.800 0.020 0.000 1.428 98 D HN 0.389 nan 8.370 nan 0.000 0.586 99 V N -0.304 119.628 119.914 0.030 0.000 2.733 99 V HA 0.516 4.636 4.120 -0.000 0.000 0.306 99 V C -2.930 173.173 176.094 0.015 0.000 1.084 99 V CA -1.878 60.439 62.300 0.027 0.000 0.905 99 V CB 2.314 34.165 31.823 0.046 0.000 1.010 99 V HN 0.492 nan 8.190 nan 0.000 0.424 100 P HA 0.413 nan 4.420 nan 0.000 0.281 100 P C -0.971 176.304 177.300 -0.041 0.000 1.252 100 P CA 0.053 63.140 63.100 -0.022 0.000 0.778 100 P CB 1.243 32.925 31.700 -0.030 0.000 0.895 101 V N 0.472 120.341 119.914 -0.075 0.000 3.102 101 V HA 1.050 5.170 4.120 -0.000 0.000 0.312 101 V C -0.056 175.830 176.094 -0.346 0.000 1.135 101 V CA -0.402 61.819 62.300 -0.132 0.000 1.022 101 V CB 1.656 33.453 31.823 -0.043 0.000 1.056 101 V HN 0.879 nan 8.190 nan 0.000 0.436 102 G N 1.588 110.064 108.800 -0.540 0.000 2.356 102 G HA2 0.366 4.326 3.960 -0.000 0.000 0.288 102 G HA3 0.366 4.326 3.960 -0.000 0.000 0.288 102 G C -2.981 171.393 174.900 -0.875 0.000 1.302 102 G CA 0.158 44.613 45.100 -1.074 0.000 0.887 102 G HN 0.684 nan 8.290 nan 0.000 0.521 103 P HA 0.174 nan 4.420 nan 0.000 0.249 103 P C 1.334 178.506 177.300 -0.213 0.000 1.229 103 P CA 1.130 63.939 63.100 -0.484 0.000 0.788 103 P CB 0.386 31.793 31.700 -0.488 0.000 1.072 104 G N -0.199 108.463 108.800 -0.230 0.000 2.985 104 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.209 104 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.209 104 G C 1.229 176.082 174.900 -0.079 0.000 1.165 104 G CA 0.010 45.036 45.100 -0.123 0.000 0.776 104 G HN 0.223 nan 8.290 nan 0.000 0.541 105 L N 0.122 121.299 121.223 -0.077 0.000 2.375 105 L HA 0.313 4.653 4.340 -0.000 0.000 0.215 105 L C 0.878 177.767 176.870 0.031 0.000 1.108 105 L CA -0.189 54.640 54.840 -0.018 0.000 0.830 105 L CB -0.065 41.989 42.059 -0.007 0.000 0.959 105 L HN 0.080 nan 8.230 nan 0.000 0.457 106 L N 0.813 122.077 121.223 0.068 0.000 2.578 106 L HA 0.027 4.367 4.340 -0.000 0.000 0.279 106 L C 1.344 178.244 176.870 0.050 0.000 1.227 106 L CA 0.790 55.694 54.840 0.106 0.000 0.900 106 L CB -0.366 41.797 42.059 0.172 0.000 1.144 106 L HN 0.374 nan 8.230 nan 0.000 0.496 107 G N 1.871 110.684 108.800 0.023 0.000 2.147 107 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.244 107 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.244 107 G C 0.236 175.125 174.900 -0.018 0.000 1.005 107 G CA -0.292 44.798 45.100 -0.016 0.000 0.713 107 G HN 0.508 nan 8.290 nan 0.000 0.515 108 R N -1.123 119.372 120.500 -0.008 0.000 2.902 108 R HA 0.759 5.099 4.340 -0.000 0.000 0.258 108 R C -0.501 175.793 176.300 -0.010 0.000 1.071 108 R CA -0.858 55.236 56.100 -0.011 0.000 1.024 108 R CB 1.753 32.049 30.300 -0.006 0.000 1.184 108 R HN 0.236 nan 8.270 nan 0.000 0.492 109 V N 2.119 122.027 119.914 -0.010 0.000 2.407 109 V HA 0.360 4.480 4.120 -0.000 0.000 0.291 109 V C 0.133 176.230 176.094 0.005 0.000 1.018 109 V CA -0.717 61.581 62.300 -0.004 0.000 0.842 109 V CB 1.518 33.333 31.823 -0.014 0.000 0.996 109 V HN 0.603 nan 8.190 nan 0.000 0.426 110 V N 1.526 121.449 119.914 0.016 0.000 3.166 110 V HA 0.852 4.972 4.120 -0.000 0.000 0.317 110 V C -0.262 175.851 176.094 0.032 0.000 1.136 110 V CA -0.755 61.557 62.300 0.020 0.000 1.035 110 V CB 2.105 33.940 31.823 0.019 0.000 1.110 110 V HN 0.762 nan 8.190 nan 0.000 0.450 111 D N 0.911 121.332 120.400 0.036 0.000 2.539 111 D HA 0.544 5.184 4.640 -0.000 0.000 0.280 111 D C 1.119 177.456 176.300 0.062 0.000 1.208 111 D CA -0.017 54.014 54.000 0.052 0.000 1.088 111 D CB 0.836 41.670 40.800 0.056 0.000 1.149 111 D HN 0.784 nan 8.370 nan 0.000 0.596 112 A N -0.986 121.884 122.820 0.083 0.000 2.067 112 A HA 0.035 4.355 4.320 -0.000 0.000 0.219 112 A C 1.908 179.544 177.584 0.088 0.000 1.158 112 A CA 0.759 52.854 52.037 0.096 0.000 0.661 112 A CB -0.708 18.370 19.000 0.130 0.000 0.801 112 A HN 0.477 nan 8.150 nan 0.000 0.452 113 L N -1.010 120.252 121.223 0.065 0.000 2.872 113 L HA 0.295 4.635 4.340 -0.000 0.000 0.245 113 L C 1.271 178.147 176.870 0.011 0.000 1.211 113 L CA 0.209 55.066 54.840 0.027 0.000 1.013 113 L CB -0.113 41.930 42.059 -0.027 0.000 1.326 113 L HN 0.463 nan 8.230 nan 0.000 0.525 114 G N 0.834 109.647 108.800 0.022 0.000 2.305 114 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.287 114 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.287 114 G C -0.083 174.817 174.900 0.000 0.000 1.036 114 G CA -0.018 45.089 45.100 0.012 0.000 0.887 114 G HN 0.458 nan 8.290 nan 0.000 0.505 115 N N 1.564 120.265 118.700 0.002 0.000 2.485 115 N HA 0.347 5.087 4.740 -0.000 0.000 0.243 115 N C -2.375 173.136 175.510 0.002 0.000 0.987 115 N CA -1.265 51.782 53.050 -0.004 0.000 0.940 115 N CB 1.772 40.254 38.487 -0.009 0.000 1.122 115 N HN 0.181 nan 8.380 nan 0.000 0.509 116 P HA -0.011 nan 4.420 nan 0.000 0.261 116 P C 0.580 177.881 177.300 0.002 0.000 1.173 116 P CA 0.260 63.359 63.100 -0.001 0.000 0.760 116 P CB 0.548 32.244 31.700 -0.006 0.000 0.783 117 I N -1.550 119.023 120.570 0.005 0.000 4.240 117 I HA 0.241 4.411 4.170 -0.000 0.000 0.331 117 I C 1.051 177.168 176.117 0.001 0.000 1.381 117 I CA 0.013 61.317 61.300 0.006 0.000 1.136 117 I CB 0.070 38.079 38.000 0.014 0.000 1.137 117 I HN 0.052 nan 8.210 nan 0.000 0.411 118 D N 2.411 122.810 120.400 -0.003 0.000 2.317 118 D HA 0.064 4.704 4.640 -0.000 0.000 0.211 118 D C 1.858 178.153 176.300 -0.009 0.000 0.966 118 D CA 1.473 55.468 54.000 -0.008 0.000 0.876 118 D CB 0.109 40.902 40.800 -0.012 0.000 0.927 118 D HN 0.505 nan 8.370 nan 0.000 0.519 119 G N 1.126 109.922 108.800 -0.006 0.000 2.221 119 G HA2 -0.339 3.620 3.960 -0.000 0.000 0.265 119 G HA3 -0.339 3.620 3.960 -0.000 0.000 0.265 119 G C 0.819 175.713 174.900 -0.009 0.000 1.041 119 G CA 0.444 45.540 45.100 -0.007 0.000 0.807 119 G HN 0.421 nan 8.290 nan 0.000 0.502 120 K N -0.232 120.162 120.400 -0.010 0.000 2.455 120 K HA 0.466 4.786 4.320 -0.000 0.000 0.206 120 K C 1.340 177.933 176.600 -0.012 0.000 1.027 120 K CA 0.345 56.625 56.287 -0.011 0.000 1.113 120 K CB 0.682 33.174 32.500 -0.013 0.000 0.850 120 K HN 1.371 nan 8.250 nan 0.000 0.503 121 G N 2.145 110.939 108.800 -0.011 0.000 2.447 121 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.220 121 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.220 121 G C -2.896 171.996 174.900 -0.013 0.000 1.261 121 G CA -1.179 43.914 45.100 -0.012 0.000 1.000 121 G HN 0.015 nan 8.290 nan 0.000 0.515 122 P HA 0.645 nan 4.420 nan 0.000 0.278 122 P C -0.169 177.118 177.300 -0.023 0.000 1.266 122 P CA -0.685 62.404 63.100 -0.018 0.000 0.807 122 P CB 0.566 32.255 31.700 -0.019 0.000 1.094 123 I N 0.310 120.864 120.570 -0.027 0.000 2.339 123 I HA 0.267 4.437 4.170 -0.000 0.000 0.290 123 I C -0.428 175.661 176.117 -0.047 0.000 0.994 123 I CA -0.789 60.489 61.300 -0.036 0.000 1.191 123 I CB 0.817 38.795 38.000 -0.037 0.000 1.343 123 I HN 0.174 nan 8.210 nan 0.000 0.458 124 D N 5.343 125.709 120.400 -0.055 0.000 2.358 124 D HA 0.348 4.988 4.640 -0.000 0.000 0.258 124 D C 0.399 176.642 176.300 -0.095 0.000 1.223 124 D CA 0.312 54.273 54.000 -0.066 0.000 0.886 124 D CB 1.064 41.827 40.800 -0.063 0.000 1.120 124 D HN 0.684 nan 8.370 nan 0.000 0.482 125 A N 2.352 125.121 122.820 -0.085 0.000 2.276 125 A HA 0.566 4.886 4.320 -0.000 0.000 0.300 125 A C 0.631 178.146 177.584 -0.115 0.000 1.235 125 A CA -0.689 51.286 52.037 -0.103 0.000 0.867 125 A CB 0.796 19.754 19.000 -0.069 0.000 1.137 125 A HN 0.560 nan 8.150 nan 0.000 0.527 126 A N 2.619 125.329 122.820 -0.183 0.000 2.797 126 A HA 0.585 4.905 4.320 -0.000 0.000 0.287 126 A C 0.902 178.429 177.584 -0.095 0.000 1.369 126 A CA 0.363 52.299 52.037 -0.168 0.000 0.968 126 A CB -1.068 17.746 19.000 -0.310 0.000 1.069 126 A HN 2.612 nan 8.150 nan 0.000 0.571 127 G N -0.053 108.712 108.800 -0.059 0.000 2.697 127 G HA2 0.008 3.968 3.960 -0.000 0.000 0.684 127 G HA3 0.008 3.968 3.960 -0.000 0.000 0.684 127 G C -0.783 174.112 174.900 -0.008 0.000 1.274 127 G CA -1.202 43.893 45.100 -0.008 0.000 0.806 127 G HN 0.521 nan 8.290 nan 0.000 0.644 128 R N 0.833 121.338 120.500 0.007 0.000 2.297 128 R HA 0.651 4.991 4.340 -0.000 0.000 0.308 128 R C -0.033 176.286 176.300 0.032 0.000 1.029 128 R CA -0.476 55.632 56.100 0.012 0.000 0.929 128 R CB 1.601 31.905 30.300 0.007 0.000 1.046 128 R HN 0.396 nan 8.270 nan 0.000 0.461 129 S N 1.920 117.644 115.700 0.040 0.000 2.578 129 S HA 0.424 4.894 4.470 -0.000 0.000 0.301 129 S C -0.100 174.526 174.600 0.043 0.000 1.091 129 S CA -0.888 57.344 58.200 0.054 0.000 1.032 129 S CB 1.512 64.760 63.200 0.080 0.000 1.064 129 S HN 0.354 nan 8.310 nan 0.000 0.508 130 R N 0.932 121.455 120.500 0.038 0.000 2.679 130 R HA 0.292 4.632 4.340 -0.000 0.000 0.269 130 R C 1.198 177.518 176.300 0.034 0.000 1.076 130 R CA -0.031 56.085 56.100 0.026 0.000 1.160 130 R CB 0.123 30.431 30.300 0.013 0.000 1.054 130 R HN 0.767 nan 8.270 nan 0.000 0.507 131 A N 2.143 124.975 122.820 0.019 0.000 1.930 131 A HA -0.066 4.254 4.320 -0.000 0.000 0.215 131 A C 0.461 178.033 177.584 -0.021 0.000 1.176 131 A CA 0.965 53.022 52.037 0.033 0.000 0.632 131 A CB 0.130 19.141 19.000 0.018 0.000 0.819 131 A HN 0.524 nan 8.150 nan 0.000 0.445 132 Q N 0.338 120.078 119.800 -0.099 0.000 2.303 132 Q HA 0.552 4.892 4.340 -0.000 0.000 0.257 132 Q C -1.291 174.676 176.000 -0.055 0.000 0.941 132 Q CA -0.096 55.615 55.803 -0.154 0.000 0.931 132 Q CB 1.768 30.385 28.738 -0.203 0.000 1.215 132 Q HN 0.156 nan 8.270 nan 0.000 0.437 133 V N 2.024 121.921 119.914 -0.029 0.000 2.971 133 V HA 0.302 4.422 4.120 -0.000 0.000 0.309 133 V C -0.203 175.897 176.094 0.008 0.000 1.130 133 V CA -1.179 61.124 62.300 0.005 0.000 0.964 133 V CB 2.528 34.371 31.823 0.034 0.000 1.029 133 V HN 0.558 nan 8.190 nan 0.000 0.427 134 K N 2.545 122.955 120.400 0.017 0.000 2.383 134 K HA 0.479 4.799 4.320 -0.000 0.000 0.286 134 K C 0.336 176.955 176.600 0.031 0.000 1.051 134 K CA 0.131 56.433 56.287 0.025 0.000 0.974 134 K CB 1.263 33.780 32.500 0.027 0.000 0.968 134 K HN 0.897 nan 8.250 nan 0.000 0.475 135 A N 5.828 128.669 122.820 0.035 0.000 2.406 135 A HA 0.249 4.569 4.320 -0.000 0.000 0.243 135 A C -1.894 175.711 177.584 0.034 0.000 1.082 135 A CA -1.013 51.047 52.037 0.038 0.000 0.786 135 A CB -0.537 18.486 19.000 0.038 0.000 1.029 135 A HN 0.442 nan 8.150 nan 0.000 0.495 136 P HA 0.153 nan 4.420 nan 0.000 0.261 136 P C 0.562 177.879 177.300 0.028 0.000 1.183 136 P CA 0.671 63.788 63.100 0.028 0.000 0.761 136 P CB 0.196 31.914 31.700 0.029 0.000 0.785 137 G N 2.566 111.381 108.800 0.025 0.000 2.588 137 G HA2 0.146 4.106 3.960 -0.000 0.000 0.278 137 G HA3 0.146 4.106 3.960 -0.000 0.000 0.278 137 G C 1.256 176.170 174.900 0.023 0.000 1.307 137 G CA -0.669 44.446 45.100 0.025 0.000 1.016 137 G HN 0.326 nan 8.290 nan 0.000 0.503 138 I N -0.555 120.028 120.570 0.022 0.000 2.087 138 I HA -0.175 3.995 4.170 -0.000 0.000 0.240 138 I C 2.776 178.903 176.117 0.017 0.000 1.054 138 I CA 1.320 62.632 61.300 0.020 0.000 1.311 138 I CB -0.954 37.057 38.000 0.018 0.000 1.024 138 I HN 0.306 nan 8.210 nan 0.000 0.402 139 L N 1.097 122.328 121.223 0.014 0.000 2.056 139 L HA -0.068 4.272 4.340 -0.000 0.000 0.207 139 L C -0.565 176.312 176.870 0.011 0.000 1.078 139 L CA 1.790 56.636 54.840 0.011 0.000 0.749 139 L CB -1.743 40.322 42.059 0.009 0.000 0.901 139 L HN 0.110 nan 8.230 nan 0.000 0.433 140 P HA -0.086 nan 4.420 nan 0.000 0.234 140 P C -0.032 177.277 177.300 0.015 0.000 1.162 140 P CA 0.919 64.026 63.100 0.012 0.000 0.759 140 P CB 0.012 31.719 31.700 0.012 0.000 0.813 141 R N -0.875 119.636 120.500 0.018 0.000 2.867 141 R HA 0.751 5.091 4.340 -0.000 0.000 0.227 141 R C 0.208 176.522 176.300 0.023 0.000 1.372 141 R CA -0.778 55.336 56.100 0.023 0.000 1.083 141 R CB 1.214 31.529 30.300 0.025 0.000 1.596 141 R HN -0.165 nan 8.270 nan 0.000 0.522 142 R N -0.846 119.672 120.500 0.030 0.000 2.709 142 R HA 0.226 4.566 4.340 -0.000 0.000 0.270 142 R C -1.261 175.064 176.300 0.042 0.000 1.038 142 R CA -0.401 55.718 56.100 0.031 0.000 0.872 142 R CB 1.958 32.279 30.300 0.035 0.000 1.259 142 R HN 0.621 nan 8.270 nan 0.000 0.473 143 S N 0.791 116.512 115.700 0.036 0.000 2.563 143 S HA 0.080 4.550 4.470 -0.000 0.000 0.284 143 S C -0.198 174.453 174.600 0.085 0.000 1.331 143 S CA -0.347 57.879 58.200 0.044 0.000 1.047 143 S CB 0.826 64.042 63.200 0.028 0.000 0.859 143 S HN 0.305 nan 8.310 nan 0.000 0.514 144 V N 5.040 124.993 119.914 0.065 0.000 2.508 144 V HA 0.145 4.265 4.120 -0.000 0.000 0.281 144 V C 1.144 177.298 176.094 0.100 0.000 1.041 144 V CA 0.278 62.612 62.300 0.057 0.000 1.016 144 V CB 0.379 32.207 31.823 0.009 0.000 0.984 144 V HN 1.051 nan 8.190 nan 0.000 0.478 145 H N 2.491 121.535 119.070 -0.043 0.000 3.650 145 H HA 0.375 4.931 4.556 -0.000 0.000 0.260 145 H C -0.003 175.281 175.328 -0.073 0.000 1.194 145 H CA -0.430 55.590 56.048 -0.048 0.000 1.135 145 H CB 0.685 30.425 29.762 -0.037 0.000 1.612 145 H HN 0.588 nan 8.280 nan 0.000 0.703 146 E N 3.003 122.888 120.200 -0.525 0.000 2.158 146 E HA 0.352 4.701 4.350 -0.000 0.000 0.271 146 E C -2.764 173.640 176.600 -0.327 0.000 0.911 146 E CA -2.232 53.855 56.400 -0.522 0.000 0.767 146 E CB 2.297 31.617 29.700 -0.634 0.000 1.120 146 E HN 0.168 nan 8.360 nan 0.000 0.405 147 P HA -0.041 nan 4.420 nan 0.000 0.264 147 P C -0.749 176.386 177.300 -0.275 0.000 1.193 147 P CA 0.027 62.985 63.100 -0.236 0.000 0.763 147 P CB 0.540 32.104 31.700 -0.227 0.000 0.810 148 V N 5.305 125.104 119.914 -0.192 0.000 2.220 148 V HA 0.113 4.233 4.120 -0.000 0.000 0.265 148 V C 0.341 176.372 176.094 -0.105 0.000 1.078 148 V CA -0.185 62.015 62.300 -0.167 0.000 0.872 148 V CB -0.060 31.695 31.823 -0.113 0.000 1.121 148 V HN 0.495 nan 8.190 nan 0.000 0.460 149 Q N 1.854 121.582 119.800 -0.120 0.000 2.300 149 Q HA 0.101 4.441 4.340 -0.000 0.000 0.262 149 Q C 1.584 177.628 176.000 0.072 0.000 1.109 149 Q CA 0.263 56.065 55.803 -0.002 0.000 0.905 149 Q CB 0.898 29.673 28.738 0.061 0.000 1.280 149 Q HN 0.865 nan 8.270 nan 0.000 0.426 150 T N -0.566 114.016 114.554 0.047 0.000 2.788 150 T HA -0.068 4.281 4.350 -0.000 0.000 0.268 150 T C 1.518 176.257 174.700 0.066 0.000 1.044 150 T CA 0.896 63.025 62.100 0.049 0.000 1.139 150 T CB -0.173 68.712 68.868 0.029 0.000 0.867 150 T HN 0.874 nan 8.240 nan 0.000 0.454 151 G N 1.298 110.143 108.800 0.075 0.000 2.284 151 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.230 151 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.230 151 G C 0.026 174.952 174.900 0.043 0.000 1.021 151 G CA -0.047 45.092 45.100 0.065 0.000 0.619 151 G HN 0.664 nan 8.290 nan 0.000 0.510 152 L N 1.544 122.788 121.223 0.034 0.000 2.418 152 L HA 0.346 4.686 4.340 -0.000 0.000 0.274 152 L C 1.810 178.700 176.870 0.033 0.000 1.135 152 L CA -0.311 54.545 54.840 0.027 0.000 0.870 152 L CB 0.839 42.909 42.059 0.019 0.000 1.154 152 L HN 0.149 nan 8.230 nan 0.000 0.462 153 K N 2.867 123.289 120.400 0.035 0.000 2.020 153 K HA -0.255 4.065 4.320 -0.000 0.000 0.212 153 K C 2.105 178.727 176.600 0.038 0.000 1.050 153 K CA 1.786 58.097 56.287 0.040 0.000 0.929 153 K CB -0.292 32.233 32.500 0.042 0.000 0.714 153 K HN 0.814 nan 8.250 nan 0.000 0.443 154 A N 1.129 123.969 122.820 0.035 0.000 1.869 154 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 154 A C 2.472 180.077 177.584 0.036 0.000 1.203 154 A CA 2.253 54.312 52.037 0.037 0.000 0.638 154 A CB -1.086 17.935 19.000 0.036 0.000 0.831 154 A HN 0.104 nan 8.150 nan 0.000 0.450 155 V N 0.477 120.410 119.914 0.031 0.000 2.237 155 V HA -0.261 3.859 4.120 -0.000 0.000 0.245 155 V C 2.298 178.406 176.094 0.024 0.000 1.046 155 V CA 2.333 64.649 62.300 0.027 0.000 1.007 155 V CB -0.936 30.900 31.823 0.021 0.000 0.638 155 V HN 0.524 nan 8.190 nan 0.000 0.445 156 D N 0.363 120.778 120.400 0.025 0.000 2.123 156 D HA -0.137 4.503 4.640 -0.000 0.000 0.196 156 D C 2.141 178.457 176.300 0.025 0.000 0.992 156 D CA 1.825 55.838 54.000 0.022 0.000 0.833 156 D CB -0.179 40.639 40.800 0.030 0.000 0.954 156 D HN 0.459 nan 8.370 nan 0.000 0.455 157 A N -0.329 122.511 122.820 0.034 0.000 2.067 157 A HA 0.033 4.353 4.320 -0.000 0.000 0.217 157 A C 2.170 179.776 177.584 0.038 0.000 1.156 157 A CA 0.733 52.794 52.037 0.040 0.000 0.683 157 A CB -0.071 18.959 19.000 0.050 0.000 0.808 157 A HN 0.211 nan 8.150 nan 0.000 0.455 158 L N -1.986 119.257 121.223 0.034 0.000 2.694 158 L HA 0.191 4.531 4.340 -0.000 0.000 0.228 158 L C -0.288 176.598 176.870 0.027 0.000 1.048 158 L CA 0.153 55.014 54.840 0.034 0.000 0.887 158 L CB 0.892 42.977 42.059 0.042 0.000 1.265 158 L HN 0.006 nan 8.230 nan 0.000 0.492 159 V N 1.902 121.831 119.914 0.024 0.000 2.313 159 V HA 0.248 4.368 4.120 -0.000 0.000 0.262 159 V C -2.410 173.691 176.094 0.011 0.000 1.011 159 V CA -1.302 61.010 62.300 0.019 0.000 0.858 159 V CB 0.504 32.343 31.823 0.026 0.000 1.104 159 V HN 0.001 nan 8.190 nan 0.000 0.456 160 P HA 0.107 nan 4.420 nan 0.000 0.258 160 P C 0.097 177.389 177.300 -0.015 0.000 1.214 160 P CA 0.489 63.586 63.100 -0.006 0.000 0.872 160 P CB 0.442 32.138 31.700 -0.006 0.000 0.890 161 I N 2.564 123.121 120.570 -0.021 0.000 2.634 161 I HA 0.313 4.483 4.170 -0.000 0.000 0.284 161 I C 1.418 177.503 176.117 -0.054 0.000 1.124 161 I CA 0.162 61.444 61.300 -0.030 0.000 1.417 161 I CB 0.648 38.632 38.000 -0.027 0.000 1.396 161 I HN 0.302 nan 8.210 nan 0.000 0.571 162 G N 5.017 113.785 108.800 -0.054 0.000 2.600 162 G HA2 0.550 4.510 3.960 -0.000 0.000 0.303 162 G HA3 0.550 4.510 3.960 -0.000 0.000 0.303 162 G C -0.745 174.105 174.900 -0.084 0.000 1.253 162 G CA -0.969 44.083 45.100 -0.082 0.000 0.974 162 G HN 0.534 nan 8.290 nan 0.000 0.483 163 R N 0.103 120.530 120.500 -0.121 0.000 2.216 163 R HA 0.447 4.787 4.340 -0.000 0.000 0.332 163 R C 0.949 177.228 176.300 -0.036 0.000 1.056 163 R CA 0.532 56.571 56.100 -0.101 0.000 0.901 163 R CB 0.966 31.149 30.300 -0.195 0.000 1.039 163 R HN 1.199 nan 8.270 nan 0.000 0.456 164 G N 1.898 110.697 108.800 -0.002 0.000 2.194 164 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.236 164 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.236 164 G C 0.251 175.159 174.900 0.014 0.000 0.987 164 G CA -0.170 44.942 45.100 0.020 0.000 0.635 164 G HN 0.578 nan 8.290 nan 0.000 0.520 165 Q N 0.263 120.063 119.800 -0.000 0.000 2.394 165 Q HA 0.556 4.896 4.340 -0.000 0.000 0.248 165 Q C 0.150 176.154 176.000 0.007 0.000 0.992 165 Q CA -0.208 55.595 55.803 0.000 0.000 0.888 165 Q CB 0.301 29.033 28.738 -0.011 0.000 1.257 165 Q HN 0.425 nan 8.270 nan 0.000 0.462 166 R N 2.672 123.176 120.500 0.006 0.000 2.477 166 R HA 0.181 4.521 4.340 -0.000 0.000 0.285 166 R C -1.269 175.030 176.300 -0.001 0.000 1.415 166 R CA -0.370 55.734 56.100 0.007 0.000 1.446 166 R CB 0.939 31.240 30.300 0.002 0.000 1.110 166 R HN 0.468 nan 8.270 nan 0.000 0.590 167 E N 2.326 122.527 120.200 0.000 0.000 2.167 167 E HA 0.144 4.494 4.350 -0.000 0.000 0.284 167 E C -0.928 175.668 176.600 -0.007 0.000 1.016 167 E CA -0.732 55.667 56.400 -0.001 0.000 0.817 167 E CB 0.731 30.431 29.700 -0.000 0.000 1.080 167 E HN 0.231 nan 8.360 nan 0.000 0.397 168 L N 5.720 126.936 121.223 -0.011 0.000 2.397 168 L HA 0.371 4.711 4.340 -0.000 0.000 0.271 168 L C -0.738 176.116 176.870 -0.026 0.000 1.148 168 L CA 0.091 54.915 54.840 -0.027 0.000 0.825 168 L CB 0.727 42.765 42.059 -0.035 0.000 1.117 168 L HN 0.607 nan 8.230 nan 0.000 0.456 169 I N 6.773 127.315 120.570 -0.047 0.000 2.347 169 I HA 0.375 4.545 4.170 -0.000 0.000 0.283 169 I C -0.375 175.680 176.117 -0.104 0.000 1.058 169 I CA -0.146 61.116 61.300 -0.064 0.000 1.202 169 I CB 0.653 38.618 38.000 -0.058 0.000 1.386 169 I HN 0.500 nan 8.210 nan 0.000 0.475 170 I N 4.596 125.083 120.570 -0.139 0.000 2.545 170 I HA 0.873 5.043 4.170 -0.000 0.000 0.292 170 I C 0.062 175.904 176.117 -0.458 0.000 1.040 170 I CA 0.009 61.181 61.300 -0.214 0.000 1.068 170 I CB 2.027 39.956 38.000 -0.119 0.000 1.251 170 I HN 0.715 nan 8.210 nan 0.000 0.424 171 G N 5.082 113.627 108.800 -0.425 0.000 2.342 171 G HA2 0.183 4.143 3.960 -0.000 0.000 0.297 171 G HA3 0.183 4.143 3.960 -0.000 0.000 0.297 171 G C -1.946 172.780 174.900 -0.289 0.000 1.313 171 G CA -0.705 44.076 45.100 -0.531 0.000 0.830 171 G HN 0.430 nan 8.290 nan 0.000 0.506 172 D N 0.323 120.581 120.400 -0.238 0.000 2.377 172 D HA 0.401 5.041 4.640 -0.000 0.000 0.245 172 D C 1.033 177.251 176.300 -0.137 0.000 1.196 172 D CA -0.148 53.768 54.000 -0.140 0.000 0.962 172 D CB 0.676 41.417 40.800 -0.098 0.000 1.127 172 D HN 0.671 nan 8.370 nan 0.000 0.471 173 R N 0.004 120.448 120.500 -0.094 0.000 2.697 173 R HA 0.032 4.372 4.340 -0.000 0.000 0.265 173 R C -0.039 176.186 176.300 -0.125 0.000 1.009 173 R CA -0.030 56.018 56.100 -0.087 0.000 1.099 173 R CB -0.236 30.035 30.300 -0.049 0.000 0.965 173 R HN 0.362 nan 8.270 nan 0.000 0.428 174 Q N -0.627 119.089 119.800 -0.140 0.000 2.487 174 Q HA -0.198 4.142 4.340 -0.000 0.000 0.279 174 Q C -0.022 175.746 176.000 -0.387 0.000 1.228 174 Q CA 1.248 56.929 55.803 -0.203 0.000 0.873 174 Q CB -1.767 26.886 28.738 -0.142 0.000 1.260 174 Q HN 1.014 nan 8.270 nan 0.000 0.471 175 T N -5.607 108.740 114.554 -0.346 0.000 2.975 175 T HA 0.461 4.811 4.350 -0.000 0.000 0.257 175 T C 1.113 175.642 174.700 -0.284 0.000 1.003 175 T CA 0.584 62.434 62.100 -0.416 0.000 0.932 175 T CB 1.273 69.973 68.868 -0.281 0.000 1.087 175 T HN 0.937 nan 8.240 nan 0.000 0.512 176 G N 1.790 110.473 108.800 -0.196 0.000 2.151 176 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.156 176 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.156 176 G C 0.603 175.462 174.900 -0.067 0.000 1.017 176 G CA 0.147 45.193 45.100 -0.090 0.000 0.686 176 G HN 0.474 nan 8.290 nan 0.000 0.503 177 K N -0.347 120.002 120.400 -0.085 0.000 2.001 177 K HA -0.052 4.268 4.320 -0.000 0.000 0.208 177 K C 2.562 179.143 176.600 -0.031 0.000 1.048 177 K CA 1.870 58.115 56.287 -0.070 0.000 0.932 177 K CB -0.345 32.101 32.500 -0.090 0.000 0.715 177 K HN 0.291 nan 8.250 nan 0.000 0.437 178 T N 1.486 116.035 114.554 -0.007 0.000 2.708 178 T HA -0.166 4.184 4.350 -0.000 0.000 0.266 178 T C 2.065 176.793 174.700 0.047 0.000 1.037 178 T CA 1.390 63.521 62.100 0.052 0.000 1.146 178 T CB -0.411 68.512 68.868 0.092 0.000 0.865 178 T HN 0.351 nan 8.240 nan 0.000 0.435 179 A N 1.156 123.979 122.820 0.005 0.000 1.915 179 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 179 A C 2.596 180.165 177.584 -0.026 0.000 1.198 179 A CA 2.063 54.080 52.037 -0.032 0.000 0.647 179 A CB -1.289 17.675 19.000 -0.059 0.000 0.825 179 A HN 0.380 nan 8.150 nan 0.000 0.456 180 V N -0.524 119.381 119.914 -0.014 0.000 2.343 180 V HA -0.221 3.899 4.120 -0.000 0.000 0.247 180 V C 3.027 179.127 176.094 0.011 0.000 1.051 180 V CA 1.967 64.263 62.300 -0.007 0.000 1.036 180 V CB -1.229 30.587 31.823 -0.010 0.000 0.654 180 V HN 0.666 nan 8.190 nan 0.000 0.451 181 A N -0.258 122.577 122.820 0.026 0.000 1.898 181 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 181 A C 2.141 179.776 177.584 0.085 0.000 1.181 181 A CA 1.863 53.931 52.037 0.051 0.000 0.620 181 A CB -0.560 18.475 19.000 0.057 0.000 0.819 181 A HN 0.435 nan 8.150 nan 0.000 0.442 182 L N 0.035 121.311 121.223 0.089 0.000 2.131 182 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 182 L C 1.583 178.486 176.870 0.055 0.000 1.092 182 L CA 2.183 57.074 54.840 0.085 0.000 0.759 182 L CB -0.560 41.549 42.059 0.083 0.000 0.903 182 L HN 0.346 nan 8.230 nan 0.000 0.435 183 D N -1.440 118.972 120.400 0.020 0.000 2.123 183 D HA -0.126 4.514 4.640 -0.000 0.000 0.200 183 D C 1.971 178.293 176.300 0.037 0.000 0.976 183 D CA 1.694 55.699 54.000 0.008 0.000 0.831 183 D CB 0.021 40.811 40.800 -0.016 0.000 0.974 183 D HN 0.340 nan 8.370 nan 0.000 0.469 184 T N 1.373 115.953 114.554 0.045 0.000 2.720 184 T HA -0.096 4.254 4.350 -0.000 0.000 0.268 184 T C 2.228 176.977 174.700 0.081 0.000 1.037 184 T CA 0.635 62.768 62.100 0.054 0.000 1.144 184 T CB -0.094 68.796 68.868 0.038 0.000 0.864 184 T HN 0.156 nan 8.240 nan 0.000 0.444 185 I N 0.434 121.064 120.570 0.101 0.000 2.202 185 I HA -0.094 4.076 4.170 -0.000 0.000 0.242 185 I C 2.322 178.556 176.117 0.196 0.000 1.091 185 I CA 1.059 62.454 61.300 0.158 0.000 1.368 185 I CB -0.341 37.755 38.000 0.161 0.000 1.058 185 I HN 0.192 nan 8.210 nan 0.000 0.410 186 L N 0.505 121.802 121.223 0.124 0.000 2.012 186 L HA -0.260 4.080 4.340 -0.000 0.000 0.210 186 L C 2.246 179.172 176.870 0.094 0.000 1.073 186 L CA 1.785 56.684 54.840 0.098 0.000 0.748 186 L CB -0.767 41.285 42.059 -0.011 0.000 0.891 186 L HN 0.345 nan 8.230 nan 0.000 0.431 187 N N -0.405 118.336 118.700 0.069 0.000 2.443 187 N HA -0.193 4.547 4.740 -0.000 0.000 0.184 187 N C 1.654 177.196 175.510 0.054 0.000 1.037 187 N CA 0.680 53.757 53.050 0.044 0.000 0.896 187 N CB 0.148 38.688 38.487 0.087 0.000 0.959 187 N HN 0.239 nan 8.380 nan 0.000 0.442 188 Q N 0.008 119.880 119.800 0.120 0.000 2.482 188 Q HA -0.034 4.306 4.340 -0.000 0.000 0.209 188 Q C 1.231 177.181 176.000 -0.083 0.000 0.961 188 Q CA 0.417 56.294 55.803 0.123 0.000 0.945 188 Q CB -0.066 28.626 28.738 -0.076 0.000 1.012 188 Q HN 0.478 nan 8.270 nan 0.000 0.515 189 K N 1.039 121.406 120.400 -0.054 0.000 2.504 189 K HA -0.028 4.292 4.320 -0.000 0.000 0.195 189 K C 1.527 177.987 176.600 -0.233 0.000 1.036 189 K CA 0.245 56.505 56.287 -0.043 0.000 0.984 189 K CB 0.224 32.767 32.500 0.071 0.000 0.788 189 K HN 0.109 nan 8.250 nan 0.000 0.488 190 R N -0.801 119.371 120.500 -0.547 0.000 2.148 190 R HA -0.077 4.263 4.340 -0.000 0.000 0.223 190 R C 0.964 176.707 176.300 -0.928 0.000 1.088 190 R CA 1.057 56.562 56.100 -0.992 0.000 0.985 190 R CB 0.126 29.297 30.300 -1.882 0.000 0.880 190 R HN 0.378 nan 8.270 nan 0.000 0.451 191 W N -1.169 120.072 121.300 -0.099 0.000 2.534 191 W HA 0.289 4.949 4.660 -0.000 0.000 0.339 191 W C 0.562 177.001 176.519 -0.134 0.000 0.961 191 W CA -0.626 56.659 57.345 -0.100 0.000 1.545 191 W CB 0.016 29.413 29.460 -0.105 0.000 1.104 191 W HN 0.000 nan 8.180 nan 0.000 0.538 192 N N 1.287 119.973 118.700 -0.023 0.000 2.398 192 N HA -0.040 4.700 4.740 -0.000 0.000 0.188 192 N C 0.409 175.933 175.510 0.022 0.000 1.122 192 N CA 0.690 53.674 53.050 -0.110 0.000 0.866 192 N CB -0.038 38.203 38.487 -0.410 0.000 0.970 192 N HN 0.084 nan 8.380 nan 0.000 0.462 193 N N -0.483 118.234 118.700 0.027 0.000 2.234 193 N HA 0.179 4.919 4.740 -0.000 0.000 0.227 193 N C 0.549 176.086 175.510 0.044 0.000 1.151 193 N CA -0.109 52.969 53.050 0.048 0.000 0.865 193 N CB 1.009 39.514 38.487 0.029 0.000 1.066 193 N HN 0.048 nan 8.380 nan 0.000 0.515 194 G N -1.047 107.788 108.800 0.058 0.000 2.705 194 G HA2 0.368 4.328 3.960 -0.000 0.000 0.299 194 G HA3 0.368 4.328 3.960 -0.000 0.000 0.299 194 G C 0.500 175.447 174.900 0.079 0.000 1.315 194 G CA -0.398 44.742 45.100 0.066 0.000 1.045 194 G HN 0.074 nan 8.290 nan 0.000 0.517 195 S N -0.810 114.935 115.700 0.074 0.000 2.388 195 S HA -0.003 4.467 4.470 -0.000 0.000 0.223 195 S C 0.807 175.457 174.600 0.082 0.000 1.034 195 S CA 0.459 58.702 58.200 0.072 0.000 0.963 195 S CB -0.038 63.196 63.200 0.056 0.000 0.827 195 S HN 0.571 nan 8.310 nan 0.000 0.481 196 D N 2.282 122.734 120.400 0.087 0.000 2.398 196 D HA 0.090 4.730 4.640 -0.000 0.000 0.250 196 D C 0.727 177.089 176.300 0.103 0.000 1.287 196 D CA 0.045 54.096 54.000 0.086 0.000 0.992 196 D CB 0.253 41.100 40.800 0.080 0.000 1.071 196 D HN 0.090 nan 8.370 nan 0.000 0.514 197 E N 0.809 121.073 120.200 0.106 0.000 2.427 197 E HA -0.079 4.271 4.350 -0.000 0.000 0.196 197 E C 1.306 177.984 176.600 0.129 0.000 1.028 197 E CA 0.293 56.777 56.400 0.141 0.000 0.864 197 E CB -0.054 29.724 29.700 0.130 0.000 0.813 197 E HN 0.424 nan 8.360 nan 0.000 0.514 198 S N 0.024 115.784 115.700 0.101 0.000 2.671 198 S HA 0.192 4.662 4.470 -0.000 0.000 0.220 198 S C 1.143 175.899 174.600 0.259 0.000 0.951 198 S CA -0.120 58.147 58.200 0.113 0.000 0.932 198 S CB 0.123 63.375 63.200 0.087 0.000 0.777 198 S HN 0.096 nan 8.310 nan 0.000 0.508 199 K N 0.200 120.713 120.400 0.188 0.000 2.554 199 K HA 0.227 4.547 4.320 -0.000 0.000 0.211 199 K C -0.200 176.407 176.600 0.013 0.000 1.226 199 K CA -0.230 56.098 56.287 0.068 0.000 1.025 199 K CB 0.723 33.182 32.500 -0.068 0.000 1.021 199 K HN 0.196 nan 8.250 nan 0.000 0.600 200 K N 1.364 121.817 120.400 0.087 0.000 2.219 200 K HA 0.225 4.545 4.320 -0.000 0.000 0.258 200 K C -0.668 175.832 176.600 -0.166 0.000 1.008 200 K CA -0.326 55.898 56.287 -0.104 0.000 0.928 200 K CB 0.702 33.082 32.500 -0.199 0.000 0.983 200 K HN -0.138 nan 8.250 nan 0.000 0.484 201 L N 2.788 123.763 121.223 -0.414 0.000 2.372 201 L HA 0.286 4.626 4.340 -0.000 0.000 0.274 201 L C -1.745 174.826 176.870 -0.499 0.000 0.988 201 L CA -0.358 54.302 54.840 -0.300 0.000 0.833 201 L CB 0.904 42.852 42.059 -0.184 0.000 1.236 201 L HN 0.430 nan 8.230 nan 0.000 0.410 202 Y N 3.977 124.199 120.300 -0.130 0.000 2.504 202 Y HA 0.341 4.891 4.550 -0.000 0.000 0.339 202 Y C 0.176 175.958 175.900 -0.196 0.000 0.974 202 Y CA -0.541 57.436 58.100 -0.205 0.000 1.232 202 Y CB 0.748 38.880 38.460 -0.546 0.000 1.108 202 Y HN 0.493 nan 8.280 nan 0.000 0.509 203 C N 4.479 123.853 119.300 0.123 0.000 2.416 203 C HA 0.413 4.873 4.460 -0.000 0.000 0.355 203 C C 0.772 175.797 174.990 0.058 0.000 1.211 203 C CA -1.279 57.796 59.018 0.095 0.000 1.699 203 C CB -1.695 26.160 27.740 0.192 0.000 2.310 203 C HN 0.519 nan 8.230 nan 0.000 0.539 204 V N 3.407 123.314 119.914 -0.013 0.000 2.904 204 V HA 0.397 4.517 4.120 -0.000 0.000 0.305 204 V C -0.492 175.610 176.094 0.013 0.000 1.067 204 V CA -0.566 61.727 62.300 -0.010 0.000 1.044 204 V CB 1.151 32.941 31.823 -0.055 0.000 1.050 204 V HN 0.793 nan 8.190 nan 0.000 0.475 205 Y N 1.662 121.897 120.300 -0.108 0.000 2.330 205 Y HA 0.593 5.143 4.550 -0.000 0.000 0.324 205 Y C -0.790 175.050 175.900 -0.100 0.000 1.093 205 Y CA -0.762 57.270 58.100 -0.114 0.000 1.103 205 Y CB 1.789 40.211 38.460 -0.062 0.000 1.183 205 Y HN 0.432 nan 8.280 nan 0.000 0.433 206 V N 4.955 124.717 119.914 -0.252 0.000 2.439 206 V HA 0.759 4.879 4.120 -0.000 0.000 0.282 206 V C -0.048 176.033 176.094 -0.021 0.000 1.039 206 V CA -0.436 61.822 62.300 -0.069 0.000 0.913 206 V CB 1.312 33.088 31.823 -0.078 0.000 0.983 206 V HN 0.860 nan 8.190 nan 0.000 0.460 207 A N 4.863 127.786 122.820 0.172 0.000 2.508 207 A HA 0.708 5.028 4.320 -0.000 0.000 0.336 207 A C -0.533 177.118 177.584 0.112 0.000 1.360 207 A CA -0.440 51.716 52.037 0.198 0.000 0.841 207 A CB 0.528 19.686 19.000 0.264 0.000 1.136 207 A HN 0.663 nan 8.150 nan 0.000 0.489 208 V N 1.582 121.544 119.914 0.079 0.000 2.498 208 V HA 0.550 4.670 4.120 -0.000 0.000 0.279 208 V C 1.509 177.646 176.094 0.071 0.000 1.048 208 V CA 0.631 62.975 62.300 0.073 0.000 0.967 208 V CB 0.784 32.646 31.823 0.065 0.000 0.988 208 V HN 1.664 nan 8.190 nan 0.000 0.473 209 G N 3.470 112.312 108.800 0.071 0.000 2.269 209 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.277 209 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.277 209 G C 0.224 175.157 174.900 0.056 0.000 1.008 209 G CA 0.601 45.738 45.100 0.062 0.000 0.774 209 G HN 0.729 nan 8.290 nan 0.000 0.511 210 Q N -0.329 119.508 119.800 0.062 0.000 2.260 210 Q HA 0.439 4.779 4.340 -0.000 0.000 0.238 210 Q C 0.729 176.758 176.000 0.048 0.000 0.948 210 Q CA -0.402 55.436 55.803 0.058 0.000 0.895 210 Q CB 0.714 29.498 28.738 0.076 0.000 1.218 210 Q HN 0.623 nan 8.270 nan 0.000 0.470 211 K N 0.632 121.055 120.400 0.039 0.000 2.298 211 K HA 0.185 4.505 4.320 -0.000 0.000 0.280 211 K C 0.381 176.998 176.600 0.029 0.000 1.032 211 K CA -0.376 55.930 56.287 0.031 0.000 0.958 211 K CB 1.083 33.598 32.500 0.025 0.000 0.978 211 K HN 0.434 nan 8.250 nan 0.000 0.472 212 R N 1.101 121.616 120.500 0.025 0.000 2.113 212 R HA -0.241 4.099 4.340 -0.000 0.000 0.244 212 R C 2.358 178.664 176.300 0.011 0.000 1.142 212 R CA 2.224 58.335 56.100 0.019 0.000 0.953 212 R CB -0.580 29.731 30.300 0.017 0.000 0.860 212 R HN 0.917 nan 8.270 nan 0.000 0.438 213 S N -0.610 115.096 115.700 0.011 0.000 2.407 213 S HA -0.204 4.266 4.470 -0.000 0.000 0.235 213 S C 1.679 176.282 174.600 0.005 0.000 1.036 213 S CA 2.082 60.286 58.200 0.007 0.000 1.013 213 S CB -0.225 62.981 63.200 0.010 0.000 0.820 213 S HN 0.411 nan 8.310 nan 0.000 0.476 214 T N 1.234 115.795 114.554 0.011 0.000 2.894 214 T HA 0.061 4.411 4.350 -0.000 0.000 0.258 214 T C 1.880 176.578 174.700 -0.004 0.000 1.043 214 T CA 1.183 63.290 62.100 0.013 0.000 1.141 214 T CB -0.365 68.519 68.868 0.027 0.000 0.873 214 T HN 0.311 nan 8.240 nan 0.000 0.449 215 V N 2.212 122.124 119.914 -0.004 0.000 2.287 215 V HA -0.175 3.945 4.120 -0.000 0.000 0.248 215 V C 2.899 178.957 176.094 -0.059 0.000 1.053 215 V CA 1.782 64.060 62.300 -0.036 0.000 1.027 215 V CB -1.260 30.559 31.823 -0.007 0.000 0.646 215 V HN 0.520 nan 8.190 nan 0.000 0.447 216 A N -0.754 122.046 122.820 -0.033 0.000 2.121 216 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 216 A C 2.140 179.702 177.584 -0.037 0.000 1.154 216 A CA 1.662 53.678 52.037 -0.035 0.000 0.679 216 A CB -0.406 18.582 19.000 -0.020 0.000 0.795 216 A HN 0.524 nan 8.150 nan 0.000 0.458 217 Q N -0.640 119.142 119.800 -0.030 0.000 2.096 217 Q HA -0.002 4.338 4.340 -0.000 0.000 0.197 217 Q C 1.808 177.787 176.000 -0.036 0.000 0.964 217 Q CA 1.393 57.183 55.803 -0.022 0.000 0.838 217 Q CB -0.413 28.326 28.738 0.001 0.000 0.906 217 Q HN 0.524 nan 8.270 nan 0.000 0.444 218 L N -0.808 120.376 121.223 -0.065 0.000 2.044 218 L HA -0.087 4.253 4.340 -0.000 0.000 0.205 218 L C 2.088 178.887 176.870 -0.118 0.000 1.075 218 L CA 1.122 55.900 54.840 -0.105 0.000 0.747 218 L CB -0.517 41.408 42.059 -0.223 0.000 0.903 218 L HN 0.082 nan 8.230 nan 0.000 0.435 219 V N -0.416 119.423 119.914 -0.125 0.000 2.278 219 V HA -0.403 3.717 4.120 -0.000 0.000 0.251 219 V C 2.493 178.539 176.094 -0.081 0.000 1.062 219 V CA 2.299 64.535 62.300 -0.106 0.000 1.038 219 V CB -0.707 31.064 31.823 -0.086 0.000 0.646 219 V HN 0.611 nan 8.190 nan 0.000 0.447 220 Q N -0.985 118.775 119.800 -0.067 0.000 2.297 220 Q HA -0.148 4.192 4.340 -0.000 0.000 0.204 220 Q C 2.083 178.044 176.000 -0.065 0.000 0.962 220 Q CA 1.623 57.389 55.803 -0.062 0.000 0.879 220 Q CB 0.063 28.769 28.738 -0.053 0.000 0.947 220 Q HN 0.712 nan 8.270 nan 0.000 0.462 221 T N 0.149 114.671 114.554 -0.054 0.000 3.031 221 T HA 0.071 4.421 4.350 -0.000 0.000 0.254 221 T C 1.555 176.264 174.700 0.014 0.000 1.060 221 T CA 0.194 62.275 62.100 -0.032 0.000 1.135 221 T CB 0.102 68.958 68.868 -0.020 0.000 0.896 221 T HN 0.208 nan 8.240 nan 0.000 0.472 222 L N 0.777 121.980 121.223 -0.033 0.000 2.456 222 L HA -0.006 4.334 4.340 -0.000 0.000 0.224 222 L C 2.402 179.232 176.870 -0.068 0.000 1.148 222 L CA 1.148 55.953 54.840 -0.057 0.000 0.825 222 L CB -0.299 41.692 42.059 -0.113 0.000 0.937 222 L HN 0.318 nan 8.230 nan 0.000 0.450 223 E N -0.941 119.222 120.200 -0.063 0.000 2.127 223 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 223 E C 2.109 178.664 176.600 -0.076 0.000 0.964 223 E CA 0.227 56.585 56.400 -0.071 0.000 0.832 223 E CB 0.143 29.802 29.700 -0.069 0.000 0.790 223 E HN 0.380 nan 8.360 nan 0.000 0.465 224 Q N 0.106 119.846 119.800 -0.100 0.000 2.030 224 Q HA -0.179 4.161 4.340 -0.000 0.000 0.204 224 Q C 1.175 177.044 176.000 -0.218 0.000 0.986 224 Q CA 1.579 57.271 55.803 -0.185 0.000 0.843 224 Q CB -0.091 28.482 28.738 -0.276 0.000 0.904 224 Q HN 0.358 nan 8.270 nan 0.000 0.420 225 H N -0.390 118.635 119.070 -0.075 0.000 2.547 225 H HA 0.032 4.588 4.556 -0.000 0.000 0.274 225 H C -0.409 174.897 175.328 -0.038 0.000 1.024 225 H CA 0.416 56.434 56.048 -0.049 0.000 1.155 225 H CB 0.295 30.038 29.762 -0.031 0.000 1.344 225 H HN 0.204 nan 8.280 nan 0.000 0.598 226 D N -0.601 119.808 120.400 0.015 0.000 2.835 226 D HA -0.190 4.450 4.640 -0.000 0.000 0.230 226 D C 0.502 176.780 176.300 -0.036 0.000 1.130 226 D CA 0.782 54.777 54.000 -0.009 0.000 0.738 226 D CB -1.198 39.610 40.800 0.012 0.000 1.090 226 D HN 0.514 nan 8.370 nan 0.000 0.433 227 A N -0.564 122.186 122.820 -0.117 0.000 2.551 227 A HA 0.237 4.557 4.320 -0.000 0.000 0.252 227 A C 1.856 179.098 177.584 -0.570 0.000 1.199 227 A CA 0.060 51.883 52.037 -0.357 0.000 0.972 227 A CB 0.116 19.035 19.000 -0.135 0.000 1.153 227 A HN 0.261 nan 8.150 nan 0.000 0.559 228 M N 1.123 120.536 119.600 -0.312 0.000 2.229 228 M HA -0.120 4.360 4.480 -0.000 0.000 0.264 228 M C 2.146 178.288 176.300 -0.263 0.000 1.063 228 M CA 1.744 56.892 55.300 -0.253 0.000 1.114 228 M CB -0.642 31.874 32.600 -0.139 0.000 1.387 228 M HN 0.694 nan 8.290 nan 0.000 0.420 229 K N 0.302 120.553 120.400 -0.248 0.000 2.113 229 K HA -0.211 4.109 4.320 -0.000 0.000 0.208 229 K C 1.453 178.070 176.600 0.029 0.000 1.047 229 K CA 2.086 58.323 56.287 -0.082 0.000 0.928 229 K CB -1.005 31.498 32.500 0.005 0.000 0.716 229 K HN 0.504 nan 8.250 nan 0.000 0.446 230 Y N 0.635 121.001 120.300 0.110 0.000 2.462 230 Y HA 0.380 4.930 4.550 -0.000 0.000 0.261 230 Y C 0.321 176.297 175.900 0.126 0.000 1.146 230 Y CA -0.867 57.346 58.100 0.189 0.000 1.283 230 Y CB -0.018 38.525 38.460 0.138 0.000 1.090 230 Y HN -0.143 nan 8.280 nan 0.000 0.526 231 S N 1.457 117.133 115.700 -0.040 0.000 2.586 231 S HA 0.558 5.028 4.470 -0.000 0.000 0.274 231 S C -0.478 174.135 174.600 0.021 0.000 1.281 231 S CA -0.492 57.706 58.200 -0.003 0.000 1.035 231 S CB 1.339 64.471 63.200 -0.114 0.000 0.962 231 S HN 0.239 nan 8.310 nan 0.000 0.512 232 I N 2.852 123.445 120.570 0.039 0.000 2.439 232 I HA 0.291 4.461 4.170 -0.000 0.000 0.283 232 I C -1.030 175.118 176.117 0.052 0.000 1.023 232 I CA -0.413 60.914 61.300 0.044 0.000 1.100 232 I CB 1.202 39.242 38.000 0.067 0.000 1.238 232 I HN 0.398 nan 8.210 nan 0.000 0.445 233 I N 7.382 127.973 120.570 0.034 0.000 2.297 233 I HA 0.319 4.489 4.170 -0.000 0.000 0.291 233 I C 0.083 176.236 176.117 0.060 0.000 1.033 233 I CA -0.648 60.682 61.300 0.050 0.000 1.253 233 I CB 1.110 39.098 38.000 -0.021 0.000 1.396 233 I HN 0.115 nan 8.210 nan 0.000 0.476 234 V N 5.760 125.727 119.914 0.089 0.000 2.427 234 V HA 0.727 4.847 4.120 -0.000 0.000 0.286 234 V C 0.445 176.595 176.094 0.093 0.000 1.034 234 V CA -0.600 61.746 62.300 0.076 0.000 0.893 234 V CB 1.578 33.441 31.823 0.067 0.000 0.982 234 V HN 0.868 nan 8.190 nan 0.000 0.452 235 A N 4.004 126.871 122.820 0.077 0.000 2.332 235 A HA 0.827 5.147 4.320 -0.000 0.000 0.300 235 A C 0.001 177.633 177.584 0.079 0.000 1.153 235 A CA -0.293 51.792 52.037 0.081 0.000 0.764 235 A CB 1.345 20.383 19.000 0.063 0.000 1.174 235 A HN 1.261 nan 8.150 nan 0.000 0.467 236 A N 3.176 126.047 122.820 0.085 0.000 3.047 236 A HA 0.579 4.899 4.320 -0.000 0.000 0.337 236 A C 0.646 178.277 177.584 0.079 0.000 1.143 236 A CA 0.039 52.129 52.037 0.088 0.000 0.905 236 A CB -0.824 18.232 19.000 0.095 0.000 1.088 236 A HN 1.239 nan 8.150 nan 0.000 0.488 237 T N -1.348 113.248 114.554 0.070 0.000 2.903 237 T HA 0.398 4.748 4.350 -0.000 0.000 0.314 237 T C 1.592 176.325 174.700 0.055 0.000 1.078 237 T CA 0.012 62.148 62.100 0.060 0.000 1.114 237 T CB 1.101 69.999 68.868 0.050 0.000 0.987 237 T HN 1.055 nan 8.240 nan 0.000 0.548 238 A N 2.335 125.185 122.820 0.049 0.000 1.971 238 A HA -0.201 4.119 4.320 -0.000 0.000 0.222 238 A C 2.601 180.207 177.584 0.036 0.000 1.182 238 A CA 2.704 54.766 52.037 0.042 0.000 0.649 238 A CB -1.655 17.367 19.000 0.036 0.000 0.818 238 A HN 1.187 nan 8.150 nan 0.000 0.458 239 S N -0.271 115.450 115.700 0.035 0.000 2.383 239 S HA -0.080 4.390 4.470 -0.000 0.000 0.227 239 S C 0.850 175.471 174.600 0.035 0.000 1.026 239 S CA 0.843 59.061 58.200 0.031 0.000 0.981 239 S CB -0.323 62.895 63.200 0.029 0.000 0.818 239 S HN 0.694 nan 8.310 nan 0.000 0.472 240 E N 1.217 121.444 120.200 0.046 0.000 2.392 240 E HA 0.546 4.896 4.350 -0.000 0.000 0.256 240 E C 0.259 176.887 176.600 0.048 0.000 1.145 240 E CA -0.207 56.227 56.400 0.057 0.000 0.929 240 E CB 0.517 30.264 29.700 0.077 0.000 0.998 240 E HN 0.499 nan 8.360 nan 0.000 0.442 241 A N 1.215 124.063 122.820 0.046 0.000 2.492 241 A HA 0.212 4.532 4.320 -0.000 0.000 0.236 241 A C 1.079 178.668 177.584 0.009 0.000 1.078 241 A CA 0.655 52.698 52.037 0.009 0.000 0.773 241 A CB 0.259 19.247 19.000 -0.021 0.000 1.023 241 A HN 0.766 nan 8.150 nan 0.000 0.504 242 A N 1.722 124.536 122.820 -0.011 0.000 1.930 242 A HA 0.040 4.360 4.320 -0.000 0.000 0.217 242 A C -0.321 177.295 177.584 0.054 0.000 1.175 242 A CA 1.783 53.832 52.037 0.020 0.000 0.627 242 A CB -1.477 17.519 19.000 -0.007 0.000 0.815 242 A HN 0.616 nan 8.150 nan 0.000 0.443 243 P HA -0.082 nan 4.420 nan 0.000 0.220 243 P C 1.379 178.709 177.300 0.050 0.000 1.148 243 P CA 0.648 63.745 63.100 -0.005 0.000 0.803 243 P CB -0.058 31.412 31.700 -0.383 0.000 0.782 244 L N -0.842 120.394 121.223 0.021 0.000 2.109 244 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 244 L C 2.523 179.479 176.870 0.142 0.000 1.086 244 L CA 1.484 56.415 54.840 0.152 0.000 0.760 244 L CB -0.649 41.517 42.059 0.178 0.000 0.910 244 L HN 0.004 nan 8.230 nan 0.000 0.437 245 Q N -1.443 118.437 119.800 0.133 0.000 2.172 245 Q HA -0.226 4.114 4.340 -0.000 0.000 0.200 245 Q C 2.016 178.123 176.000 0.179 0.000 0.964 245 Q CA 1.312 57.195 55.803 0.134 0.000 0.855 245 Q CB -0.265 28.543 28.738 0.118 0.000 0.918 245 Q HN 0.483 nan 8.270 nan 0.000 0.444 246 Y N 1.445 121.809 120.300 0.106 0.000 2.181 246 Y HA -0.159 4.391 4.550 -0.000 0.000 0.288 246 Y C 1.616 177.642 175.900 0.209 0.000 1.146 246 Y CA 1.274 59.477 58.100 0.171 0.000 1.164 246 Y CB -0.217 38.379 38.460 0.225 0.000 0.982 246 Y HN -0.018 nan 8.280 nan 0.000 0.515 247 L N -0.293 120.891 121.223 -0.066 0.000 2.375 247 L HA 0.093 4.433 4.340 -0.000 0.000 0.215 247 L C 2.651 179.542 176.870 0.033 0.000 1.108 247 L CA 0.656 55.448 54.840 -0.081 0.000 0.830 247 L CB -0.671 41.400 42.059 0.020 0.000 0.959 247 L HN 0.266 nan 8.230 nan 0.000 0.457 248 A N 0.895 123.737 122.820 0.037 0.000 2.024 248 A HA -0.099 4.221 4.320 -0.000 0.000 0.220 248 A C -0.468 177.133 177.584 0.028 0.000 1.164 248 A CA 1.532 53.600 52.037 0.051 0.000 0.643 248 A CB -1.286 17.755 19.000 0.069 0.000 0.806 248 A HN 0.297 nan 8.150 nan 0.000 0.451 249 P HA 0.114 nan 4.420 nan 0.000 0.232 249 P C 0.870 178.148 177.300 -0.036 0.000 1.170 249 P CA 0.252 63.346 63.100 -0.011 0.000 0.824 249 P CB -0.034 31.567 31.700 -0.166 0.000 0.896 250 F N 0.043 120.002 119.950 0.014 0.000 2.084 250 F HA -0.137 4.389 4.527 -0.000 0.000 0.296 250 F C 2.389 178.205 175.800 0.028 0.000 1.111 250 F CA 1.471 59.461 58.000 -0.017 0.000 1.224 250 F CB -2.019 36.912 39.000 -0.115 0.000 0.991 250 F HN -0.142 nan 8.300 nan 0.000 0.471 251 T N 0.348 115.027 114.554 0.208 0.000 2.536 251 T HA -0.333 4.017 4.350 -0.000 0.000 0.263 251 T C 2.230 177.003 174.700 0.122 0.000 1.115 251 T CA 2.184 64.365 62.100 0.135 0.000 1.180 251 T CB -0.923 68.008 68.868 0.106 0.000 0.864 251 T HN 0.308 nan 8.240 nan 0.000 0.419 252 A N 0.914 123.796 122.820 0.103 0.000 2.019 252 A HA 0.158 4.478 4.320 -0.000 0.000 0.219 252 A C 2.532 180.165 177.584 0.080 0.000 1.164 252 A CA 1.921 54.000 52.037 0.071 0.000 0.644 252 A CB -0.900 18.110 19.000 0.018 0.000 0.805 252 A HN 0.567 nan 8.150 nan 0.000 0.449 253 A N -0.502 122.403 122.820 0.142 0.000 1.897 253 A HA 0.003 4.323 4.320 -0.000 0.000 0.215 253 A C 2.412 180.097 177.584 0.168 0.000 1.181 253 A CA 1.764 53.905 52.037 0.174 0.000 0.620 253 A CB -0.808 18.351 19.000 0.264 0.000 0.821 253 A HN 0.452 nan 8.150 nan 0.000 0.443 254 S N 0.345 116.143 115.700 0.163 0.000 2.365 254 S HA -0.192 4.278 4.470 -0.000 0.000 0.225 254 S C 1.796 176.508 174.600 0.186 0.000 1.039 254 S CA 1.648 59.942 58.200 0.155 0.000 1.033 254 S CB -0.620 62.657 63.200 0.128 0.000 0.887 254 S HN 0.543 nan 8.310 nan 0.000 0.447 255 I N 1.526 122.200 120.570 0.174 0.000 2.151 255 I HA -0.218 3.952 4.170 -0.000 0.000 0.243 255 I C 2.684 179.023 176.117 0.371 0.000 1.080 255 I CA 1.437 62.866 61.300 0.216 0.000 1.339 255 I CB -0.894 37.199 38.000 0.155 0.000 1.039 255 I HN 0.410 nan 8.210 nan 0.000 0.409 256 G N -0.225 108.746 108.800 0.285 0.000 2.484 256 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.218 256 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.218 256 G C 1.499 176.620 174.900 0.368 0.000 1.130 256 G CA 0.248 45.537 45.100 0.316 0.000 0.784 256 G HN 0.415 nan 8.290 nan 0.000 0.543 257 E N -0.621 119.748 120.200 0.282 0.000 2.106 257 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 257 E C 1.923 178.651 176.600 0.213 0.000 0.984 257 E CA 0.548 57.075 56.400 0.211 0.000 0.806 257 E CB -0.192 29.603 29.700 0.157 0.000 0.750 257 E HN 0.638 nan 8.360 nan 0.000 0.458 258 W N 0.924 122.272 121.300 0.080 0.000 2.302 258 W HA -0.291 4.369 4.660 -0.000 0.000 0.320 258 W C 1.656 178.124 176.519 -0.086 0.000 1.241 258 W CA 1.898 59.212 57.345 -0.052 0.000 1.264 258 W CB -0.546 28.814 29.460 -0.168 0.000 1.154 258 W HN -0.009 nan 8.180 nan 0.000 0.483 259 F N 0.218 120.310 119.950 0.236 0.000 2.095 259 F HA -0.225 4.302 4.527 -0.000 0.000 0.298 259 F C 2.798 178.515 175.800 -0.137 0.000 1.104 259 F CA 2.301 60.320 58.000 0.031 0.000 1.232 259 F CB -1.113 37.994 39.000 0.179 0.000 0.987 259 F HN -0.153 nan 8.300 nan 0.000 0.475 260 R N 0.571 121.156 120.500 0.142 0.000 2.120 260 R HA -0.160 4.180 4.340 -0.000 0.000 0.234 260 R C 1.371 177.626 176.300 -0.076 0.000 1.123 260 R CA 1.872 57.996 56.100 0.040 0.000 0.975 260 R CB -0.403 29.947 30.300 0.084 0.000 0.866 260 R HN 0.198 nan 8.270 nan 0.000 0.446 261 D N -0.015 120.298 120.400 -0.145 0.000 2.269 261 D HA -0.054 4.586 4.640 -0.000 0.000 0.208 261 D C 0.485 176.592 176.300 -0.321 0.000 0.963 261 D CA 0.798 54.675 54.000 -0.204 0.000 0.864 261 D CB -0.092 40.590 40.800 -0.196 0.000 0.936 261 D HN 0.188 nan 8.370 nan 0.000 0.505 262 N N 0.138 118.542 118.700 -0.494 0.000 2.376 262 N HA 0.164 4.904 4.740 -0.000 0.000 0.249 262 N C 0.597 175.896 175.510 -0.351 0.000 1.140 262 N CA 0.120 52.846 53.050 -0.541 0.000 0.870 262 N CB 1.073 38.954 38.487 -1.010 0.000 1.124 262 N HN 0.070 nan 8.380 nan 0.000 0.505 263 G N 1.383 110.036 108.800 -0.245 0.000 2.249 263 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.273 263 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.273 263 G C -0.017 174.727 174.900 -0.260 0.000 1.036 263 G CA 0.545 45.529 45.100 -0.194 0.000 0.824 263 G HN 0.320 nan 8.290 nan 0.000 0.504 264 K N -0.391 119.853 120.400 -0.259 0.000 2.350 264 K HA 0.538 4.858 4.320 -0.000 0.000 0.241 264 K C -0.700 175.765 176.600 -0.224 0.000 0.994 264 K CA -1.048 55.083 56.287 -0.259 0.000 0.839 264 K CB 1.374 33.887 32.500 0.023 0.000 1.244 264 K HN 0.311 nan 8.250 nan 0.000 0.443 265 H N 0.345 119.537 119.070 0.203 0.000 2.661 265 H HA 0.394 4.950 4.556 -0.000 0.000 0.290 265 H C -0.590 174.837 175.328 0.166 0.000 1.082 265 H CA -0.538 55.586 56.048 0.126 0.000 1.234 265 H CB 1.102 30.876 29.762 0.020 0.000 1.387 265 H HN 0.632 nan 8.280 nan 0.000 0.476 266 A N 3.778 126.726 122.820 0.215 0.000 2.306 266 A HA 0.612 4.932 4.320 -0.000 0.000 0.330 266 A C -0.388 177.222 177.584 0.044 0.000 1.146 266 A CA -0.832 51.250 52.037 0.075 0.000 0.827 266 A CB 1.167 20.164 19.000 -0.005 0.000 1.178 266 A HN 0.674 nan 8.150 nan 0.000 0.490 267 L N 2.174 123.392 121.223 -0.009 0.000 2.376 267 L HA 0.805 5.145 4.340 -0.000 0.000 0.275 267 L C -1.189 175.645 176.870 -0.061 0.000 0.987 267 L CA -0.576 54.252 54.840 -0.019 0.000 0.828 267 L CB 1.236 43.284 42.059 -0.018 0.000 1.249 267 L HN 0.719 nan 8.230 nan 0.000 0.409 268 I N 5.426 125.935 120.570 -0.101 0.000 2.377 268 I HA 0.595 4.765 4.170 -0.000 0.000 0.293 268 I C -1.167 174.724 176.117 -0.376 0.000 0.987 268 I CA -0.605 60.535 61.300 -0.267 0.000 1.185 268 I CB 1.701 39.489 38.000 -0.353 0.000 1.341 268 I HN 0.480 nan 8.210 nan 0.000 0.455 269 V N 7.888 127.524 119.914 -0.464 0.000 2.448 269 V HA 0.352 4.472 4.120 -0.000 0.000 0.295 269 V C -1.105 174.583 176.094 -0.676 0.000 1.025 269 V CA -0.507 61.521 62.300 -0.454 0.000 0.859 269 V CB 1.223 32.831 31.823 -0.359 0.000 0.988 269 V HN 0.515 nan 8.190 nan 0.000 0.431 270 Y N 2.281 122.410 120.300 -0.285 0.000 2.417 270 Y HA 0.518 5.068 4.550 -0.000 0.000 0.336 270 Y C 0.161 175.901 175.900 -0.266 0.000 0.961 270 Y CA -0.650 57.290 58.100 -0.265 0.000 1.215 270 Y CB 1.177 39.523 38.460 -0.189 0.000 1.120 270 Y HN 0.514 nan 8.280 nan 0.000 0.499 271 D N 3.828 124.117 120.400 -0.184 0.000 2.408 271 D HA 0.201 4.841 4.640 -0.000 0.000 0.261 271 D C -1.328 174.964 176.300 -0.015 0.000 1.190 271 D CA -0.346 53.581 54.000 -0.122 0.000 0.910 271 D CB 0.498 41.185 40.800 -0.189 0.000 1.097 271 D HN 0.745 nan 8.370 nan 0.000 0.522 272 D N 0.009 120.411 120.400 0.003 0.000 2.559 272 D HA 0.272 4.912 4.640 -0.000 0.000 0.250 272 D C 1.026 177.318 176.300 -0.013 0.000 1.135 272 D CA -0.727 53.261 54.000 -0.019 0.000 0.955 272 D CB 1.281 42.063 40.800 -0.030 0.000 1.442 272 D HN 0.023 nan 8.370 nan 0.000 0.471 273 L N 0.062 121.243 121.223 -0.070 0.000 2.313 273 L HA -0.022 4.318 4.340 -0.000 0.000 0.214 273 L C 1.911 178.761 176.870 -0.033 0.000 1.119 273 L CA 0.511 55.293 54.840 -0.096 0.000 0.809 273 L CB -0.406 41.425 42.059 -0.380 0.000 0.933 273 L HN 0.431 nan 8.230 nan 0.000 0.449 274 S N 0.176 115.850 115.700 -0.044 0.000 2.354 274 S HA -0.168 4.302 4.470 -0.000 0.000 0.219 274 S C 1.949 176.607 174.600 0.098 0.000 1.035 274 S CA 1.255 59.469 58.200 0.024 0.000 1.037 274 S CB -0.128 63.077 63.200 0.008 0.000 0.956 274 S HN 0.284 nan 8.310 nan 0.000 0.428 275 K N 1.369 121.813 120.400 0.074 0.000 2.211 275 K HA -0.095 4.225 4.320 -0.000 0.000 0.204 275 K C 2.206 178.878 176.600 0.120 0.000 1.047 275 K CA 0.940 57.281 56.287 0.089 0.000 0.935 275 K CB -0.511 32.029 32.500 0.065 0.000 0.728 275 K HN 0.480 nan 8.250 nan 0.000 0.452 276 Q N 0.234 120.108 119.800 0.124 0.000 1.990 276 Q HA -0.080 4.260 4.340 -0.000 0.000 0.200 276 Q C 1.992 178.131 176.000 0.232 0.000 0.980 276 Q CA 1.565 57.461 55.803 0.155 0.000 0.832 276 Q CB -0.045 28.761 28.738 0.113 0.000 0.897 276 Q HN 0.245 nan 8.270 nan 0.000 0.427 277 A N 0.170 123.159 122.820 0.283 0.000 1.933 277 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 277 A C 2.254 180.133 177.584 0.493 0.000 1.175 277 A CA 1.493 53.759 52.037 0.382 0.000 0.628 277 A CB -0.761 18.465 19.000 0.376 0.000 0.814 277 A HN 0.308 nan 8.150 nan 0.000 0.444 278 V N -0.190 119.939 119.914 0.358 0.000 2.332 278 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 278 V C 3.058 179.228 176.094 0.127 0.000 1.055 278 V CA 2.033 64.455 62.300 0.202 0.000 1.038 278 V CB -1.165 30.740 31.823 0.138 0.000 0.651 278 V HN 0.635 nan 8.190 nan 0.000 0.450 279 A N -1.198 121.715 122.820 0.154 0.000 1.902 279 A HA -0.278 4.042 4.320 -0.000 0.000 0.217 279 A C 2.154 179.807 177.584 0.114 0.000 1.181 279 A CA 2.067 54.178 52.037 0.123 0.000 0.623 279 A CB -0.805 18.287 19.000 0.153 0.000 0.818 279 A HN 0.625 nan 8.150 nan 0.000 0.443 280 Y N 0.095 120.430 120.300 0.058 0.000 2.352 280 Y HA -0.147 4.403 4.550 -0.000 0.000 0.292 280 Y C 2.514 178.396 175.900 -0.029 0.000 1.136 280 Y CA 1.857 59.936 58.100 -0.034 0.000 1.227 280 Y CB -0.228 38.236 38.460 0.006 0.000 0.991 280 Y HN 0.313 nan 8.280 nan 0.000 0.545 281 R N 0.057 120.612 120.500 0.092 0.000 2.062 281 R HA -0.234 4.106 4.340 -0.000 0.000 0.231 281 R C 2.455 178.672 176.300 -0.138 0.000 1.136 281 R CA 1.838 57.901 56.100 -0.062 0.000 0.948 281 R CB -0.416 29.743 30.300 -0.234 0.000 0.845 281 R HN 0.474 nan 8.270 nan 0.000 0.430 282 Q N 0.494 120.231 119.800 -0.104 0.000 2.082 282 Q HA -0.253 4.087 4.340 -0.000 0.000 0.211 282 Q C 2.090 178.000 176.000 -0.151 0.000 1.002 282 Q CA 2.342 58.082 55.803 -0.105 0.000 0.868 282 Q CB -0.227 28.472 28.738 -0.065 0.000 0.931 282 Q HN 0.419 nan 8.270 nan 0.000 0.414 283 L N -0.278 120.813 121.223 -0.219 0.000 1.943 283 L HA -0.229 4.111 4.340 -0.000 0.000 0.215 283 L C 2.672 179.361 176.870 -0.302 0.000 1.074 283 L CA 1.628 56.291 54.840 -0.295 0.000 0.759 283 L CB -0.783 41.000 42.059 -0.460 0.000 0.888 283 L HN 0.243 nan 8.230 nan 0.000 0.433 284 S N -0.048 115.406 115.700 -0.411 0.000 2.374 284 S HA -0.183 4.287 4.470 -0.000 0.000 0.227 284 S C 1.956 176.458 174.600 -0.162 0.000 1.037 284 S CA 1.417 59.438 58.200 -0.299 0.000 1.024 284 S CB -0.373 62.662 63.200 -0.275 0.000 0.861 284 S HN 0.253 nan 8.310 nan 0.000 0.456 285 L N 0.546 121.684 121.223 -0.142 0.000 2.093 285 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 285 L C 2.144 178.962 176.870 -0.088 0.000 1.085 285 L CA 0.913 55.694 54.840 -0.098 0.000 0.755 285 L CB -0.397 41.604 42.059 -0.097 0.000 0.904 285 L HN 0.280 nan 8.230 nan 0.000 0.435 286 L N -0.674 120.488 121.223 -0.102 0.000 2.217 286 L HA -0.137 4.203 4.340 -0.000 0.000 0.211 286 L C 2.052 178.876 176.870 -0.078 0.000 1.107 286 L CA 0.669 55.459 54.840 -0.083 0.000 0.783 286 L CB -0.110 41.898 42.059 -0.085 0.000 0.919 286 L HN 0.258 nan 8.230 nan 0.000 0.442 287 L N -0.680 120.484 121.223 -0.098 0.000 2.610 287 L HA 0.019 4.359 4.340 -0.000 0.000 0.232 287 L C 0.791 177.624 176.870 -0.062 0.000 1.149 287 L CA 0.178 54.969 54.840 -0.082 0.000 0.872 287 L CB -0.303 41.691 42.059 -0.109 0.000 0.992 287 L HN 0.201 nan 8.230 nan 0.000 0.447 288 R N -0.180 120.285 120.500 -0.060 0.000 3.627 288 R HA -0.194 4.146 4.340 -0.000 0.000 0.281 288 R C 0.302 176.579 176.300 -0.038 0.000 1.140 288 R CA 0.438 56.512 56.100 -0.044 0.000 0.761 288 R CB -1.655 28.624 30.300 -0.034 0.000 1.181 288 R HN 0.388 nan 8.270 nan 0.000 0.472 289 R N 0.652 121.126 120.500 -0.045 0.000 2.726 289 R HA 0.184 4.524 4.340 -0.000 0.000 0.272 289 R C -1.977 174.314 176.300 -0.015 0.000 1.097 289 R CA -1.429 54.654 56.100 -0.028 0.000 1.198 289 R CB 0.203 30.483 30.300 -0.033 0.000 1.114 289 R HN -0.128 nan 8.270 nan 0.000 0.550 290 P HA 0.075 nan 4.420 nan 0.000 0.267 290 P C -2.437 174.872 177.300 0.016 0.000 1.205 290 P CA -0.924 62.179 63.100 0.007 0.000 0.765 290 P CB 0.262 31.970 31.700 0.014 0.000 0.828 291 P HA 0.193 nan 4.420 nan 0.000 0.293 291 P C 0.378 177.687 177.300 0.015 0.000 1.300 291 P CA -0.019 63.088 63.100 0.013 0.000 0.792 291 P CB 1.537 33.231 31.700 -0.010 0.000 0.925 292 G N 3.601 112.422 108.800 0.034 0.000 3.311 292 G HA2 0.132 4.092 3.960 -0.000 0.000 0.169 292 G HA3 0.132 4.092 3.960 -0.000 0.000 0.169 292 G C -0.307 174.575 174.900 -0.030 0.000 1.852 292 G CA -0.364 44.733 45.100 -0.006 0.000 1.010 292 G HN 0.564 nan 8.290 nan 0.000 0.530 293 R N 0.457 120.896 120.500 -0.102 0.000 2.254 293 R HA 0.320 4.660 4.340 -0.000 0.000 0.318 293 R C -0.185 176.148 176.300 0.055 0.000 1.031 293 R CA 0.294 56.331 56.100 -0.105 0.000 0.905 293 R CB 0.187 30.317 30.300 -0.283 0.000 1.050 293 R HN 0.698 nan 8.270 nan 0.000 0.456 294 E N 2.820 123.071 120.200 0.085 0.000 3.628 294 E HA -0.316 4.034 4.350 -0.000 0.000 0.309 294 E C 0.198 176.820 176.600 0.037 0.000 0.839 294 E CA 0.650 57.136 56.400 0.143 0.000 1.123 294 E CB -1.068 28.854 29.700 0.369 0.000 1.568 294 E HN 0.945 nan 8.360 nan 0.000 0.440 295 A N -2.212 120.622 122.820 0.023 0.000 3.383 295 A HA -0.301 4.019 4.320 -0.000 0.000 0.264 295 A C 0.140 177.708 177.584 -0.027 0.000 1.154 295 A CA 1.601 53.617 52.037 -0.035 0.000 1.179 295 A CB -2.031 16.913 19.000 -0.093 0.000 1.133 295 A HN 0.403 nan 8.150 nan 0.000 0.933 296 Y N 1.211 121.569 120.300 0.097 0.000 2.480 296 Y HA 0.389 4.939 4.550 -0.000 0.000 0.338 296 Y C -0.950 175.040 175.900 0.150 0.000 1.220 296 Y CA -0.563 57.638 58.100 0.168 0.000 1.430 296 Y CB 0.233 38.877 38.460 0.307 0.000 1.311 296 Y HN 0.318 nan 8.280 nan 0.000 0.575 297 P HA 0.089 nan 4.420 nan 0.000 0.277 297 P C 0.416 177.889 177.300 0.289 0.000 1.271 297 P CA -0.307 62.944 63.100 0.252 0.000 0.795 297 P CB 0.849 32.697 31.700 0.245 0.000 1.101 298 G N -0.047 108.880 108.800 0.212 0.000 2.848 298 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.208 298 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.208 298 G C 0.370 175.408 174.900 0.230 0.000 1.152 298 G CA 0.160 45.376 45.100 0.193 0.000 0.789 298 G HN 0.632 nan 8.290 nan 0.000 0.531 299 D N -0.568 120.001 120.400 0.282 0.000 2.650 299 D HA 0.070 4.710 4.640 -0.000 0.000 0.265 299 D C 1.274 177.693 176.300 0.199 0.000 1.339 299 D CA -0.491 53.694 54.000 0.307 0.000 0.816 299 D CB 0.106 41.125 40.800 0.365 0.000 1.091 299 D HN 0.016 nan 8.370 nan 0.000 0.483 300 V N -0.341 119.697 119.914 0.207 0.000 3.129 300 V HA 0.047 4.167 4.120 -0.000 0.000 0.259 300 V C 1.426 177.497 176.094 -0.038 0.000 1.116 300 V CA 0.777 63.095 62.300 0.030 0.000 1.127 300 V CB -0.608 31.348 31.823 0.222 0.000 0.742 300 V HN 0.226 nan 8.190 nan 0.000 0.474 301 F N -0.353 119.586 119.950 -0.018 0.000 2.179 301 F HA -0.042 4.485 4.527 -0.000 0.000 0.292 301 F C 2.106 177.932 175.800 0.043 0.000 1.089 301 F CA 1.746 59.731 58.000 -0.024 0.000 1.295 301 F CB -0.505 38.500 39.000 0.008 0.000 1.041 301 F HN 0.306 nan 8.300 nan 0.000 0.487 302 Y N 0.959 121.344 120.300 0.143 0.000 2.181 302 Y HA -0.274 4.276 4.550 -0.000 0.000 0.284 302 Y C 2.056 177.898 175.900 -0.097 0.000 1.179 302 Y CA 1.724 59.852 58.100 0.046 0.000 1.179 302 Y CB -1.017 37.492 38.460 0.081 0.000 0.973 302 Y HN 0.224 nan 8.280 nan 0.000 0.519 303 L N -0.129 120.941 121.223 -0.255 0.000 1.943 303 L HA -0.292 4.048 4.340 -0.000 0.000 0.215 303 L C 2.283 178.931 176.870 -0.371 0.000 1.074 303 L CA 2.503 57.108 54.840 -0.391 0.000 0.759 303 L CB -0.860 40.828 42.059 -0.618 0.000 0.888 303 L HN 0.305 nan 8.230 nan 0.000 0.433 304 H N -1.902 116.983 119.070 -0.308 0.000 2.563 304 H HA -0.020 4.536 4.556 -0.000 0.000 0.272 304 H C 1.996 177.094 175.328 -0.384 0.000 1.005 304 H CA 0.683 56.505 56.048 -0.376 0.000 1.171 304 H CB 0.009 29.529 29.762 -0.403 0.000 1.351 304 H HN 0.470 nan 8.280 nan 0.000 0.602 305 S N -0.413 115.114 115.700 -0.289 0.000 2.499 305 S HA 0.044 4.514 4.470 -0.000 0.000 0.225 305 S C 1.928 176.469 174.600 -0.097 0.000 1.050 305 S CA -0.396 57.669 58.200 -0.225 0.000 0.928 305 S CB 0.372 63.415 63.200 -0.262 0.000 0.803 305 S HN 0.226 nan 8.310 nan 0.000 0.506 306 R N 0.347 120.773 120.500 -0.124 0.000 2.073 306 R HA 0.070 4.410 4.340 -0.000 0.000 0.234 306 R C 2.212 178.503 176.300 -0.015 0.000 1.134 306 R CA 1.515 57.558 56.100 -0.095 0.000 0.952 306 R CB -0.532 29.616 30.300 -0.254 0.000 0.850 306 R HN 0.388 nan 8.270 nan 0.000 0.433 307 L N 0.470 121.684 121.223 -0.015 0.000 2.109 307 L HA -0.041 4.299 4.340 -0.000 0.000 0.207 307 L C 1.738 178.539 176.870 -0.116 0.000 1.086 307 L CA 1.580 56.390 54.840 -0.049 0.000 0.760 307 L CB -0.032 41.859 42.059 -0.280 0.000 0.910 307 L HN 0.119 nan 8.230 nan 0.000 0.437 308 L N -1.303 119.838 121.223 -0.137 0.000 2.354 308 L HA 0.077 4.417 4.340 -0.000 0.000 0.212 308 L C 2.094 178.942 176.870 -0.036 0.000 1.091 308 L CA 0.114 54.888 54.840 -0.110 0.000 0.828 308 L CB -0.271 41.694 42.059 -0.156 0.000 0.973 308 L HN 0.137 nan 8.230 nan 0.000 0.461 309 E N 0.429 120.612 120.200 -0.027 0.000 2.418 309 E HA -0.108 4.242 4.350 -0.000 0.000 0.197 309 E C 1.924 178.540 176.600 0.025 0.000 1.026 309 E CA 0.426 56.828 56.400 0.004 0.000 0.862 309 E CB 0.065 29.771 29.700 0.011 0.000 0.799 309 E HN 0.441 nan 8.360 nan 0.000 0.518 310 R N 0.700 121.220 120.500 0.033 0.000 2.189 310 R HA 0.065 4.405 4.340 -0.000 0.000 0.218 310 R C 0.933 177.275 176.300 0.071 0.000 1.074 310 R CA 0.479 56.614 56.100 0.057 0.000 0.991 310 R CB 0.061 30.407 30.300 0.077 0.000 0.883 310 R HN -0.060 nan 8.270 nan 0.000 0.457 311 A N 1.138 124.001 122.820 0.071 0.000 2.409 311 A HA 0.590 4.910 4.320 -0.000 0.000 0.262 311 A C -0.347 177.269 177.584 0.054 0.000 1.113 311 A CA 0.046 52.127 52.037 0.074 0.000 0.790 311 A CB 0.496 19.545 19.000 0.082 0.000 1.046 311 A HN 0.297 nan 8.150 nan 0.000 0.496 312 A N 2.508 125.362 122.820 0.056 0.000 2.594 312 A HA 0.621 4.941 4.320 -0.000 0.000 0.296 312 A C -0.647 176.969 177.584 0.052 0.000 1.061 312 A CA -0.680 51.385 52.037 0.047 0.000 0.689 312 A CB 0.927 19.953 19.000 0.044 0.000 1.280 312 A HN 0.802 nan 8.150 nan 0.000 0.406 313 K N 2.161 122.590 120.400 0.047 0.000 2.262 313 K HA 0.600 4.920 4.320 -0.000 0.000 0.282 313 K C -0.729 175.903 176.600 0.053 0.000 1.066 313 K CA -0.310 56.011 56.287 0.057 0.000 0.901 313 K CB 0.312 32.844 32.500 0.053 0.000 1.089 313 K HN 0.651 nan 8.250 nan 0.000 0.476 314 L N 2.382 123.638 121.223 0.055 0.000 2.468 314 L HA 0.202 4.542 4.340 -0.000 0.000 0.254 314 L C 0.903 177.797 176.870 0.041 0.000 1.171 314 L CA -0.238 54.626 54.840 0.038 0.000 0.809 314 L CB 1.334 43.407 42.059 0.023 0.000 1.155 314 L HN 0.782 nan 8.230 nan 0.000 0.473 315 S N -0.651 115.065 115.700 0.025 0.000 2.607 315 S HA 0.187 4.657 4.470 -0.000 0.000 0.272 315 S C 0.859 175.470 174.600 0.017 0.000 1.166 315 S CA -0.698 57.514 58.200 0.021 0.000 1.021 315 S CB 0.638 63.844 63.200 0.011 0.000 1.113 315 S HN 0.567 nan 8.310 nan 0.000 0.531 316 E N 0.853 121.059 120.200 0.010 0.000 2.058 316 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 316 E C 1.860 178.458 176.600 -0.003 0.000 0.997 316 E CA 1.186 57.589 56.400 0.005 0.000 0.801 316 E CB -0.412 29.288 29.700 -0.001 0.000 0.746 316 E HN 0.721 nan 8.360 nan 0.000 0.450 317 K N 0.768 121.166 120.400 -0.005 0.000 2.442 317 K HA -0.191 4.129 4.320 -0.000 0.000 0.199 317 K C 1.070 177.660 176.600 -0.016 0.000 1.044 317 K CA 1.185 57.467 56.287 -0.010 0.000 0.941 317 K CB 0.134 32.630 32.500 -0.007 0.000 0.759 317 K HN -0.101 nan 8.250 nan 0.000 0.472 318 E N -2.007 118.183 120.200 -0.016 0.000 2.715 318 E HA 0.153 4.503 4.350 -0.000 0.000 0.224 318 E C 0.147 176.723 176.600 -0.041 0.000 0.962 318 E CA 0.525 56.908 56.400 -0.028 0.000 1.145 318 E CB 1.385 31.073 29.700 -0.019 0.000 1.083 318 E HN 0.390 nan 8.360 nan 0.000 0.506 319 G N -0.313 108.467 108.800 -0.032 0.000 2.211 319 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.201 319 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.201 319 G C 0.548 175.435 174.900 -0.021 0.000 0.997 319 G CA -0.017 45.056 45.100 -0.045 0.000 0.652 319 G HN 0.360 nan 8.290 nan 0.000 0.500 320 S N -1.125 114.584 115.700 0.014 0.000 3.561 320 S HA -0.126 4.344 4.470 -0.000 0.000 0.318 320 S C 1.275 175.928 174.600 0.088 0.000 1.181 320 S CA 1.429 59.672 58.200 0.071 0.000 0.916 320 S CB -1.557 61.706 63.200 0.106 0.000 0.966 320 S HN 2.180 nan 8.310 nan 0.000 0.550 321 G N 0.898 109.704 108.800 0.011 0.000 2.380 321 G HA2 0.500 4.460 3.960 -0.000 0.000 0.262 321 G HA3 0.500 4.460 3.960 -0.000 0.000 0.262 321 G C -0.123 174.834 174.900 0.095 0.000 1.243 321 G CA -0.103 44.981 45.100 -0.026 0.000 0.865 321 G HN 0.364 nan 8.290 nan 0.000 0.513 322 S N 0.131 115.963 115.700 0.220 0.000 2.608 322 S HA 0.627 5.097 4.470 -0.000 0.000 0.291 322 S C -0.724 173.967 174.600 0.151 0.000 1.146 322 S CA -0.501 57.828 58.200 0.215 0.000 1.043 322 S CB 1.699 65.062 63.200 0.271 0.000 1.037 322 S HN 0.605 nan 8.310 nan 0.000 0.520 323 L N 2.414 123.701 121.223 0.106 0.000 2.491 323 L HA 0.467 4.807 4.340 -0.000 0.000 0.267 323 L C -0.637 176.271 176.870 0.062 0.000 0.971 323 L CA 0.079 54.973 54.840 0.091 0.000 0.857 323 L CB 1.458 43.578 42.059 0.101 0.000 1.226 323 L HN 0.642 nan 8.230 nan 0.000 0.408 324 T N 3.397 117.975 114.554 0.040 0.000 2.909 324 T HA 0.830 5.180 4.350 -0.000 0.000 0.286 324 T C -0.100 174.619 174.700 0.032 0.000 1.002 324 T CA -0.104 62.009 62.100 0.022 0.000 1.074 324 T CB 1.474 70.338 68.868 -0.006 0.000 0.984 324 T HN 0.801 nan 8.240 nan 0.000 0.495 325 A N 2.490 125.338 122.820 0.047 0.000 2.330 325 A HA 0.735 5.054 4.320 -0.000 0.000 0.327 325 A C -0.424 177.189 177.584 0.048 0.000 1.155 325 A CA -0.772 51.318 52.037 0.088 0.000 0.803 325 A CB 0.551 19.641 19.000 0.150 0.000 1.208 325 A HN 0.856 nan 8.150 nan 0.000 0.477 326 L N 4.138 125.383 121.223 0.036 0.000 2.581 326 L HA 0.301 4.641 4.340 -0.000 0.000 0.241 326 L C -2.386 174.503 176.870 0.033 0.000 1.265 326 L CA -1.616 53.228 54.840 0.008 0.000 0.954 326 L CB 1.150 43.192 42.059 -0.030 0.000 1.269 326 L HN 0.485 nan 8.230 nan 0.000 0.475 327 P HA 0.124 nan 4.420 nan 0.000 0.271 327 P C -0.434 176.842 177.300 -0.041 0.000 1.218 327 P CA -0.061 63.071 63.100 0.054 0.000 0.780 327 P CB 1.954 33.612 31.700 -0.069 0.000 0.901 328 V N 4.343 124.222 119.914 -0.058 0.000 2.459 328 V HA 0.426 4.546 4.120 -0.000 0.000 0.295 328 V C 0.470 176.496 176.094 -0.112 0.000 1.029 328 V CA -0.551 61.697 62.300 -0.085 0.000 0.874 328 V CB 1.506 33.283 31.823 -0.078 0.000 0.985 328 V HN 0.426 nan 8.190 nan 0.000 0.438 329 I N 3.187 123.685 120.570 -0.121 0.000 2.689 329 I HA 0.472 4.642 4.170 -0.000 0.000 0.299 329 I C -0.147 175.906 176.117 -0.106 0.000 1.059 329 I CA -0.483 60.742 61.300 -0.124 0.000 1.055 329 I CB 2.405 40.315 38.000 -0.149 0.000 1.243 329 I HN 0.758 nan 8.210 nan 0.000 0.425 330 E N 3.824 123.975 120.200 -0.081 0.000 2.134 330 E HA 0.346 4.696 4.350 -0.000 0.000 0.278 330 E C -0.605 175.962 176.600 -0.055 0.000 0.959 330 E CA -0.456 55.900 56.400 -0.073 0.000 0.783 330 E CB 1.113 30.785 29.700 -0.046 0.000 1.095 330 E HN 0.671 nan 8.360 nan 0.000 0.399 331 T N 2.337 116.848 114.554 -0.070 0.000 2.889 331 T HA 0.243 4.593 4.350 -0.000 0.000 0.291 331 T C 0.005 174.698 174.700 -0.011 0.000 0.995 331 T CA -1.034 61.049 62.100 -0.028 0.000 1.092 331 T CB 1.353 70.209 68.868 -0.019 0.000 0.954 331 T HN 0.343 nan 8.240 nan 0.000 0.506 332 Q N 1.546 121.357 119.800 0.019 0.000 2.349 332 Q HA 0.406 4.746 4.340 -0.000 0.000 0.254 332 Q C 1.118 177.140 176.000 0.035 0.000 0.980 332 Q CA 0.195 56.013 55.803 0.026 0.000 0.924 332 Q CB 0.829 29.590 28.738 0.039 0.000 1.209 332 Q HN 1.290 nan 8.270 nan 0.000 0.445 333 G N 2.113 110.931 108.800 0.030 0.000 2.338 333 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.296 333 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.296 333 G C 0.818 175.756 174.900 0.062 0.000 1.040 333 G CA 0.781 45.906 45.100 0.043 0.000 1.004 333 G HN 1.200 nan 8.290 nan 0.000 0.509 334 G N -0.661 108.181 108.800 0.071 0.000 2.187 334 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.261 334 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.261 334 G C 0.325 175.316 174.900 0.152 0.000 1.000 334 G CA 1.069 46.258 45.100 0.148 0.000 0.718 334 G HN 1.492 nan 8.290 nan 0.000 0.519 335 D N 0.503 120.961 120.400 0.096 0.000 2.402 335 D HA 0.374 5.014 4.640 -0.000 0.000 0.235 335 D C 1.764 178.117 176.300 0.089 0.000 1.226 335 D CA 0.261 54.311 54.000 0.084 0.000 0.918 335 D CB 0.536 41.375 40.800 0.066 0.000 1.043 335 D HN 0.507 nan 8.370 nan 0.000 0.506 336 V N 1.173 121.148 119.914 0.102 0.000 3.573 336 V HA 0.050 4.170 4.120 -0.000 0.000 0.270 336 V C 1.354 177.490 176.094 0.069 0.000 1.221 336 V CA 0.627 62.986 62.300 0.099 0.000 1.163 336 V CB -0.146 31.742 31.823 0.108 0.000 0.847 336 V HN 0.327 nan 8.190 nan 0.000 0.468 337 S N 0.116 115.856 115.700 0.068 0.000 2.526 337 S HA 0.556 5.026 4.470 -0.000 0.000 0.220 337 S C 1.310 175.967 174.600 0.095 0.000 1.017 337 S CA 0.244 58.486 58.200 0.071 0.000 0.930 337 S CB 0.319 63.554 63.200 0.059 0.000 0.856 337 S HN 0.811 nan 8.310 nan 0.000 0.497 338 A N 1.219 124.095 122.820 0.093 0.000 2.586 338 A HA 0.104 4.424 4.320 -0.000 0.000 0.231 338 A C 0.912 178.588 177.584 0.154 0.000 1.055 338 A CA 0.107 52.218 52.037 0.123 0.000 0.756 338 A CB -0.267 18.797 19.000 0.106 0.000 0.988 338 A HN 0.364 nan 8.150 nan 0.000 0.509 339 Y N 1.981 122.297 120.300 0.027 0.000 2.040 339 Y HA -0.268 4.282 4.550 -0.000 0.000 0.275 339 Y C 1.958 177.821 175.900 -0.062 0.000 1.171 339 Y CA 2.464 60.556 58.100 -0.013 0.000 1.123 339 Y CB -0.209 38.240 38.460 -0.018 0.000 0.963 339 Y HN 0.566 nan 8.280 nan 0.000 0.493 340 I N 0.205 120.638 120.570 -0.228 0.000 2.163 340 I HA -0.175 3.995 4.170 -0.000 0.000 0.240 340 I C -0.364 175.623 176.117 -0.217 0.000 1.081 340 I CA 1.281 62.373 61.300 -0.346 0.000 1.353 340 I CB -2.770 35.038 38.000 -0.321 0.000 1.054 340 I HN 0.135 nan 8.210 nan 0.000 0.407 341 P HA -0.121 nan 4.420 nan 0.000 0.217 341 P C 1.802 179.071 177.300 -0.052 0.000 1.148 341 P CA 1.673 64.728 63.100 -0.076 0.000 0.828 341 P CB -0.127 31.564 31.700 -0.014 0.000 0.783 342 T N -0.880 113.657 114.554 -0.028 0.000 2.701 342 T HA -0.115 4.235 4.350 -0.000 0.000 0.263 342 T C 1.610 176.318 174.700 0.013 0.000 1.040 342 T CA 1.472 63.579 62.100 0.011 0.000 1.147 342 T CB -0.924 67.978 68.868 0.056 0.000 0.865 342 T HN 0.102 nan 8.240 nan 0.000 0.426 343 N N 1.095 119.771 118.700 -0.039 0.000 2.061 343 N HA -0.088 4.651 4.740 -0.000 0.000 0.193 343 N C 1.831 177.309 175.510 -0.054 0.000 1.030 343 N CA 0.922 54.022 53.050 0.083 0.000 0.856 343 N CB -0.815 37.654 38.487 -0.029 0.000 1.023 343 N HN 0.230 nan 8.380 nan 0.000 0.424 344 V N 0.973 120.784 119.914 -0.172 0.000 2.970 344 V HA -0.022 4.098 4.120 -0.000 0.000 0.260 344 V C 2.106 178.133 176.094 -0.112 0.000 1.100 344 V CA 0.746 62.917 62.300 -0.215 0.000 1.122 344 V CB -0.328 31.299 31.823 -0.326 0.000 0.721 344 V HN 0.254 nan 8.190 nan 0.000 0.483 345 I N 1.184 121.724 120.570 -0.051 0.000 2.333 345 I HA -0.159 4.011 4.170 -0.000 0.000 0.246 345 I C 2.658 178.785 176.117 0.017 0.000 1.106 345 I CA 1.684 62.980 61.300 -0.007 0.000 1.411 345 I CB -0.324 37.688 38.000 0.020 0.000 1.082 345 I HN 0.500 nan 8.210 nan 0.000 0.420 346 S N 0.608 116.341 115.700 0.055 0.000 2.474 346 S HA -0.074 4.396 4.470 -0.000 0.000 0.235 346 S C 1.817 176.473 174.600 0.093 0.000 0.997 346 S CA 0.796 59.057 58.200 0.102 0.000 0.949 346 S CB -0.472 62.843 63.200 0.193 0.000 0.766 346 S HN 0.404 nan 8.310 nan 0.000 0.517 347 I N 1.823 122.406 120.570 0.021 0.000 2.628 347 I HA 0.004 4.174 4.170 -0.000 0.000 0.255 347 I C 1.564 177.663 176.117 -0.029 0.000 1.119 347 I CA 0.844 62.121 61.300 -0.037 0.000 1.448 347 I CB -0.259 37.632 38.000 -0.181 0.000 1.133 347 I HN 0.421 nan 8.210 nan 0.000 0.438 348 T N -2.300 112.234 114.554 -0.034 0.000 2.729 348 T HA 0.069 4.419 4.350 -0.000 0.000 0.298 348 T C 0.525 175.222 174.700 -0.005 0.000 1.013 348 T CA -0.373 61.712 62.100 -0.027 0.000 0.957 348 T CB 0.710 69.558 68.868 -0.033 0.000 1.130 348 T HN -0.046 nan 8.240 nan 0.000 0.526 349 D N -0.324 120.075 120.400 -0.002 0.000 2.367 349 D HA 0.353 4.993 4.640 -0.000 0.000 0.207 349 D C 0.898 177.203 176.300 0.007 0.000 1.034 349 D CA 0.737 54.740 54.000 0.005 0.000 0.861 349 D CB 0.298 41.101 40.800 0.004 0.000 0.943 349 D HN 0.883 nan 8.370 nan 0.000 0.515 350 G N -0.469 108.335 108.800 0.008 0.000 2.340 350 G HA2 0.430 4.390 3.960 -0.000 0.000 0.299 350 G HA3 0.430 4.390 3.960 -0.000 0.000 0.299 350 G C -1.881 173.033 174.900 0.024 0.000 1.291 350 G CA -0.749 44.360 45.100 0.016 0.000 0.841 350 G HN -0.079 nan 8.290 nan 0.000 0.500 351 Q N -0.340 119.486 119.800 0.042 0.000 2.275 351 Q HA 0.533 4.873 4.340 -0.000 0.000 0.258 351 Q C -0.718 175.336 176.000 0.090 0.000 0.960 351 Q CA -0.282 55.565 55.803 0.073 0.000 0.801 351 Q CB 2.377 31.187 28.738 0.120 0.000 1.302 351 Q HN 0.561 nan 8.270 nan 0.000 0.433 352 I N 2.920 123.530 120.570 0.066 0.000 2.269 352 I HA 0.256 4.426 4.170 -0.000 0.000 0.293 352 I C -0.646 175.520 176.117 0.083 0.000 1.106 352 I CA -0.471 60.870 61.300 0.069 0.000 1.248 352 I CB 0.208 38.224 38.000 0.026 0.000 1.444 352 I HN 0.510 nan 8.210 nan 0.000 0.497 353 F N 7.500 127.444 119.950 -0.010 0.000 2.390 353 F HA 0.427 4.954 4.527 -0.000 0.000 0.361 353 F C -0.154 175.639 175.800 -0.012 0.000 1.124 353 F CA -0.260 57.732 58.000 -0.014 0.000 1.149 353 F CB 0.514 39.507 39.000 -0.011 0.000 1.160 353 F HN 0.241 nan 8.300 nan 0.000 0.501 354 L N 5.192 126.284 121.223 -0.218 0.000 2.360 354 L HA 0.487 4.827 4.340 -0.000 0.000 0.271 354 L C -0.423 176.349 176.870 -0.162 0.000 1.057 354 L CA -0.542 54.224 54.840 -0.124 0.000 0.803 354 L CB 1.348 43.326 42.059 -0.134 0.000 1.207 354 L HN 0.461 nan 8.230 nan 0.000 0.445 355 E N 0.658 120.830 120.200 -0.046 0.000 2.281 355 E HA 0.250 4.600 4.350 -0.000 0.000 0.266 355 E C 0.110 176.644 176.600 -0.110 0.000 0.893 355 E CA -0.343 56.043 56.400 -0.024 0.000 0.798 355 E CB 2.044 31.805 29.700 0.101 0.000 1.245 355 E HN 0.741 nan 8.360 nan 0.000 0.410 356 A N 3.476 126.171 122.820 -0.207 0.000 1.929 356 A HA -0.288 4.032 4.320 -0.000 0.000 0.221 356 A C 1.707 178.870 177.584 -0.700 0.000 1.211 356 A CA 1.729 53.488 52.037 -0.464 0.000 0.657 356 A CB -0.225 18.595 19.000 -0.301 0.000 0.827 356 A HN 0.594 nan 8.150 nan 0.000 0.462 357 E N -0.530 119.500 120.200 -0.284 0.000 2.150 357 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 357 E C 2.051 178.618 176.600 -0.055 0.000 0.985 357 E CA 1.009 57.341 56.400 -0.113 0.000 0.814 357 E CB -0.279 29.434 29.700 0.021 0.000 0.752 357 E HN 0.729 nan 8.360 nan 0.000 0.466 358 L N -0.447 120.753 121.223 -0.039 0.000 2.095 358 L HA -0.064 4.276 4.340 -0.000 0.000 0.204 358 L C 2.395 179.281 176.870 0.026 0.000 1.080 358 L CA 0.537 55.388 54.840 0.018 0.000 0.759 358 L CB -0.421 41.664 42.059 0.043 0.000 0.914 358 L HN 0.024 nan 8.230 nan 0.000 0.439 359 F N 0.216 120.070 119.950 -0.160 0.000 2.087 359 F HA -0.345 4.182 4.527 -0.000 0.000 0.299 359 F C 2.359 178.155 175.800 -0.007 0.000 1.100 359 F CA 1.799 59.725 58.000 -0.124 0.000 1.226 359 F CB -0.226 38.651 39.000 -0.204 0.000 0.983 359 F HN 0.009 nan 8.300 nan 0.000 0.479 360 Y N 0.066 120.480 120.300 0.190 0.000 2.293 360 Y HA -0.124 4.426 4.550 -0.000 0.000 0.291 360 Y C 2.319 178.218 175.900 -0.001 0.000 1.137 360 Y CA 1.195 59.352 58.100 0.094 0.000 1.202 360 Y CB -1.267 37.263 38.460 0.118 0.000 0.990 360 Y HN 0.074 nan 8.280 nan 0.000 0.537 361 K N -0.240 120.243 120.400 0.138 0.000 2.504 361 K HA 0.100 4.420 4.320 -0.000 0.000 0.195 361 K C 1.175 177.780 176.600 0.008 0.000 1.036 361 K CA 0.825 57.154 56.287 0.070 0.000 0.984 361 K CB -0.221 32.316 32.500 0.062 0.000 0.788 361 K HN 0.432 nan 8.250 nan 0.000 0.488 362 G N 0.627 109.395 108.800 -0.054 0.000 2.159 362 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.227 362 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.227 362 G C -0.037 174.796 174.900 -0.113 0.000 0.986 362 G CA -0.076 44.956 45.100 -0.113 0.000 0.651 362 G HN 0.221 nan 8.290 nan 0.000 0.523 363 I N 1.626 122.146 120.570 -0.083 0.000 2.281 363 I HA 0.451 4.621 4.170 -0.000 0.000 0.293 363 I C 0.611 176.691 176.117 -0.061 0.000 1.085 363 I CA -0.189 61.085 61.300 -0.044 0.000 1.257 363 I CB 0.565 38.569 38.000 0.007 0.000 1.430 363 I HN 0.060 nan 8.210 nan 0.000 0.489 364 R N 6.958 127.416 120.500 -0.070 0.000 2.532 364 R HA 0.456 4.796 4.340 -0.000 0.000 0.297 364 R C -2.719 173.574 176.300 -0.011 0.000 0.984 364 R CA -1.805 54.267 56.100 -0.048 0.000 0.884 364 R CB 1.628 31.845 30.300 -0.139 0.000 1.182 364 R HN 0.193 nan 8.270 nan 0.000 0.442 365 P HA 0.076 nan 4.420 nan 0.000 0.276 365 P C -0.394 176.943 177.300 0.061 0.000 1.230 365 P CA -0.351 62.778 63.100 0.047 0.000 0.776 365 P CB 1.055 32.773 31.700 0.030 0.000 0.888 366 A N 4.485 127.368 122.820 0.105 0.000 3.004 366 A HA 0.121 4.441 4.320 -0.000 0.000 0.252 366 A C 0.455 178.083 177.584 0.074 0.000 1.802 366 A CA -0.104 51.993 52.037 0.100 0.000 1.424 366 A CB -1.654 17.445 19.000 0.165 0.000 1.005 366 A HN 0.501 nan 8.150 nan 0.000 0.631 367 I N 1.176 121.787 120.570 0.069 0.000 2.352 367 I HA 0.050 4.220 4.170 -0.000 0.000 0.290 367 I C 0.588 176.762 176.117 0.095 0.000 1.036 367 I CA -0.399 60.948 61.300 0.079 0.000 1.336 367 I CB 0.795 38.833 38.000 0.064 0.000 1.407 367 I HN 0.363 nan 8.210 nan 0.000 0.497 368 N N 6.597 125.378 118.700 0.135 0.000 2.421 368 N HA 0.047 4.787 4.740 -0.000 0.000 0.260 368 N C 0.874 176.432 175.510 0.081 0.000 1.173 368 N CA 0.014 53.136 53.050 0.120 0.000 0.960 368 N CB 1.124 39.721 38.487 0.182 0.000 1.273 368 N HN 0.426 nan 8.380 nan 0.000 0.497 369 V N 3.950 123.903 119.914 0.066 0.000 2.231 369 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 369 V C 2.445 178.559 176.094 0.032 0.000 1.054 369 V CA 2.339 64.672 62.300 0.056 0.000 1.015 369 V CB -1.118 30.746 31.823 0.069 0.000 0.638 369 V HN 0.716 nan 8.190 nan 0.000 0.444 370 G N -0.665 108.145 108.800 0.016 0.000 2.448 370 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.219 370 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.219 370 G C 1.381 176.257 174.900 -0.041 0.000 1.127 370 G CA 0.686 45.779 45.100 -0.010 0.000 0.766 370 G HN 0.509 nan 8.290 nan 0.000 0.552 371 L N 0.794 121.977 121.223 -0.067 0.000 2.728 371 L HA 0.271 4.611 4.340 -0.000 0.000 0.238 371 L C 0.367 177.208 176.870 -0.048 0.000 1.143 371 L CA -0.258 54.505 54.840 -0.128 0.000 0.937 371 L CB 0.620 42.478 42.059 -0.336 0.000 1.225 371 L HN -0.018 nan 8.230 nan 0.000 0.507 372 S N 0.787 116.494 115.700 0.012 0.000 2.457 372 S HA 0.593 5.063 4.470 -0.000 0.000 0.289 372 S C -0.246 174.371 174.600 0.027 0.000 1.163 372 S CA -0.485 57.745 58.200 0.049 0.000 1.078 372 S CB 1.583 64.823 63.200 0.066 0.000 0.987 372 S HN 0.070 nan 8.310 nan 0.000 0.482 373 V N 0.723 120.654 119.914 0.028 0.000 3.012 373 V HA 0.790 4.910 4.120 -0.000 0.000 0.307 373 V C -0.379 175.726 176.094 0.018 0.000 1.166 373 V CA -0.812 61.498 62.300 0.017 0.000 0.974 373 V CB 1.922 33.750 31.823 0.008 0.000 1.040 373 V HN 0.643 nan 8.190 nan 0.000 0.428 374 S N 1.674 117.381 115.700 0.013 0.000 2.252 374 S HA 0.414 4.884 4.470 -0.000 0.000 0.187 374 S C 0.988 175.592 174.600 0.007 0.000 1.587 374 S CA -0.548 57.658 58.200 0.010 0.000 1.215 374 S CB 0.250 63.455 63.200 0.007 0.000 1.085 374 S HN 0.817 nan 8.310 nan 0.000 0.466 375 R N 1.282 121.786 120.500 0.008 0.000 2.224 375 R HA -0.214 4.126 4.340 -0.000 0.000 0.255 375 R C 1.888 178.192 176.300 0.007 0.000 1.130 375 R CA 2.603 58.707 56.100 0.007 0.000 0.957 375 R CB -1.051 29.254 30.300 0.009 0.000 0.907 375 R HN 0.587 nan 8.270 nan 0.000 0.446 376 V N -0.846 119.072 119.914 0.006 0.000 2.215 376 V HA -0.241 3.879 4.120 -0.000 0.000 0.249 376 V C 1.798 177.895 176.094 0.006 0.000 1.054 376 V CA 2.170 64.474 62.300 0.007 0.000 1.012 376 V CB -1.298 30.528 31.823 0.005 0.000 0.639 376 V HN 0.866 nan 8.190 nan 0.000 0.448 377 G N -1.335 107.467 108.800 0.004 0.000 2.503 377 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.235 377 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.235 377 G C 0.757 175.659 174.900 0.003 0.000 1.179 377 G CA 0.534 45.636 45.100 0.003 0.000 0.944 377 G HN 0.451 nan 8.290 nan 0.000 0.580 378 S N 0.316 116.018 115.700 0.004 0.000 2.427 378 S HA -0.278 4.192 4.470 -0.000 0.000 0.261 378 S C 2.883 177.487 174.600 0.008 0.000 1.091 378 S CA 3.992 62.195 58.200 0.006 0.000 1.251 378 S CB -1.142 62.061 63.200 0.005 0.000 1.160 378 S HN 1.988 nan 8.310 nan 0.000 0.436 379 A N 1.430 124.257 122.820 0.012 0.000 1.908 379 A HA 0.017 4.337 4.320 -0.000 0.000 0.218 379 A C 2.414 180.008 177.584 0.017 0.000 1.181 379 A CA 2.200 54.251 52.037 0.023 0.000 0.627 379 A CB -1.278 17.743 19.000 0.034 0.000 0.818 379 A HN 0.678 nan 8.150 nan 0.000 0.445 380 A N -0.749 122.072 122.820 0.002 0.000 1.948 380 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 380 A C 1.543 179.101 177.584 -0.043 0.000 1.177 380 A CA 1.511 53.532 52.037 -0.027 0.000 0.636 380 A CB -0.560 18.425 19.000 -0.027 0.000 0.815 380 A HN 0.718 nan 8.150 nan 0.000 0.449 381 Q N 0.009 119.795 119.800 -0.023 0.000 2.432 381 Q HA 0.270 4.610 4.340 -0.000 0.000 0.264 381 Q C -0.571 175.411 176.000 -0.030 0.000 1.035 381 Q CA -0.296 55.493 55.803 -0.022 0.000 0.908 381 Q CB 0.502 29.239 28.738 -0.003 0.000 1.280 381 Q HN 0.247 nan 8.270 nan 0.000 0.455 382 V N 4.932 124.827 119.914 -0.031 0.000 2.475 382 V HA -0.117 4.003 4.120 -0.000 0.000 0.292 382 V C 1.431 177.523 176.094 -0.004 0.000 1.003 382 V CA 0.708 62.992 62.300 -0.025 0.000 1.120 382 V CB 0.365 32.180 31.823 -0.013 0.000 0.937 382 V HN 0.887 nan 8.190 nan 0.000 0.476 383 K N 3.901 124.300 120.400 -0.002 0.000 2.286 383 K HA -0.208 4.112 4.320 -0.000 0.000 0.203 383 K C 1.992 178.601 176.600 0.016 0.000 1.045 383 K CA 1.476 57.768 56.287 0.009 0.000 0.935 383 K CB -0.011 32.496 32.500 0.012 0.000 0.737 383 K HN 0.861 nan 8.250 nan 0.000 0.460 384 A N 0.857 123.687 122.820 0.016 0.000 1.832 384 A HA -0.128 4.192 4.320 -0.000 0.000 0.214 384 A C 1.900 179.504 177.584 0.033 0.000 1.204 384 A CA 0.974 53.024 52.037 0.022 0.000 0.606 384 A CB -0.629 18.384 19.000 0.020 0.000 0.849 384 A HN 0.303 nan 8.150 nan 0.000 0.445 385 L N 0.111 121.354 121.223 0.035 0.000 2.353 385 L HA -0.105 4.235 4.340 -0.000 0.000 0.220 385 L C 2.222 179.121 176.870 0.048 0.000 1.133 385 L CA 1.845 56.713 54.840 0.047 0.000 0.798 385 L CB -0.406 41.679 42.059 0.043 0.000 0.922 385 L HN 0.476 nan 8.230 nan 0.000 0.445 386 K N -0.930 119.491 120.400 0.036 0.000 2.209 386 K HA -0.212 4.108 4.320 -0.000 0.000 0.204 386 K C 1.831 178.456 176.600 0.041 0.000 1.048 386 K CA 1.556 57.863 56.287 0.032 0.000 0.940 386 K CB 0.071 32.584 32.500 0.022 0.000 0.729 386 K HN 0.491 nan 8.250 nan 0.000 0.451 387 Q N -0.423 119.408 119.800 0.051 0.000 2.398 387 Q HA -0.041 4.299 4.340 -0.000 0.000 0.204 387 Q C 1.822 177.879 176.000 0.095 0.000 0.932 387 Q CA 0.787 56.627 55.803 0.063 0.000 0.916 387 Q CB 0.663 29.435 28.738 0.058 0.000 1.024 387 Q HN 0.277 nan 8.270 nan 0.000 0.504 388 V N -3.961 116.018 119.914 0.109 0.000 2.949 388 V HA 0.334 4.454 4.120 -0.000 0.000 0.245 388 V C 1.318 177.489 176.094 0.128 0.000 1.086 388 V CA 0.727 63.117 62.300 0.149 0.000 1.097 388 V CB 0.121 32.055 31.823 0.186 0.000 0.762 388 V HN 0.086 nan 8.190 nan 0.000 0.470 389 A N 0.683 123.560 122.820 0.095 0.000 2.842 389 A HA 0.707 5.027 4.320 -0.000 0.000 0.298 389 A C 1.539 179.155 177.584 0.054 0.000 1.293 389 A CA 0.435 52.521 52.037 0.082 0.000 0.959 389 A CB -0.522 18.521 19.000 0.071 0.000 1.119 389 A HN 0.551 nan 8.150 nan 0.000 0.564 390 G N -0.313 108.513 108.800 0.044 0.000 2.656 390 G HA2 0.068 4.028 3.960 -0.000 0.000 0.211 390 G HA3 0.068 4.028 3.960 -0.000 0.000 0.211 390 G C 1.395 176.278 174.900 -0.028 0.000 1.137 390 G CA 1.113 46.220 45.100 0.011 0.000 0.802 390 G HN 0.799 nan 8.290 nan 0.000 0.527 391 S N -0.222 115.454 115.700 -0.041 0.000 2.540 391 S HA 0.198 4.668 4.470 -0.000 0.000 0.218 391 S C 1.642 176.132 174.600 -0.184 0.000 0.977 391 S CA -0.203 57.878 58.200 -0.197 0.000 0.918 391 S CB 0.255 63.260 63.200 -0.324 0.000 0.806 391 S HN 0.064 nan 8.310 nan 0.000 0.496 392 L N 1.680 122.929 121.223 0.043 0.000 2.610 392 L HA 0.390 4.730 4.340 -0.000 0.000 0.232 392 L C 1.856 178.777 176.870 0.085 0.000 1.149 392 L CA 0.965 55.900 54.840 0.158 0.000 0.872 392 L CB -0.558 41.595 42.059 0.157 0.000 0.992 392 L HN 0.275 nan 8.230 nan 0.000 0.447 393 K N -1.428 118.981 120.400 0.015 0.000 2.242 393 K HA -0.022 4.298 4.320 -0.000 0.000 0.200 393 K C 1.860 178.454 176.600 -0.009 0.000 1.050 393 K CA 0.456 56.751 56.287 0.012 0.000 0.981 393 K CB 0.214 32.712 32.500 -0.003 0.000 0.795 393 K HN 0.289 nan 8.250 nan 0.000 0.477 394 L N 0.614 121.781 121.223 -0.094 0.000 2.072 394 L HA -0.008 4.332 4.340 -0.000 0.000 0.205 394 L C 1.701 178.524 176.870 -0.079 0.000 1.079 394 L CA 1.515 56.270 54.840 -0.143 0.000 0.752 394 L CB -0.410 41.480 42.059 -0.280 0.000 0.906 394 L HN 0.034 nan 8.230 nan 0.000 0.436 395 F N -0.445 119.508 119.950 0.005 0.000 2.250 395 F HA -0.149 4.378 4.527 -0.000 0.000 0.301 395 F C 2.023 177.842 175.800 0.031 0.000 1.077 395 F CA 1.197 59.193 58.000 -0.007 0.000 1.348 395 F CB -0.577 38.392 39.000 -0.051 0.000 1.040 395 F HN 0.061 nan 8.300 nan 0.000 0.509 396 L N -1.892 119.465 121.223 0.224 0.000 2.556 396 L HA 0.253 4.593 4.340 -0.000 0.000 0.226 396 L C 2.291 179.267 176.870 0.177 0.000 1.089 396 L CA 0.593 55.570 54.840 0.229 0.000 0.864 396 L CB -0.655 41.509 42.059 0.176 0.000 1.067 396 L HN 0.001 nan 8.230 nan 0.000 0.477 397 A N -0.130 122.756 122.820 0.109 0.000 2.016 397 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 397 A C 2.048 179.674 177.584 0.070 0.000 1.162 397 A CA 0.832 52.908 52.037 0.064 0.000 0.662 397 A CB -0.111 18.903 19.000 0.024 0.000 0.812 397 A HN 0.426 nan 8.150 nan 0.000 0.450 398 Q N -2.446 117.416 119.800 0.103 0.000 2.360 398 Q HA 0.064 4.404 4.340 -0.000 0.000 0.202 398 Q C 1.203 177.310 176.000 0.177 0.000 0.915 398 Q CA 0.305 56.174 55.803 0.110 0.000 0.943 398 Q CB 0.093 28.892 28.738 0.101 0.000 1.064 398 Q HN 0.796 nan 8.270 nan 0.000 0.511 399 Y N 0.440 120.768 120.300 0.047 0.000 2.479 399 Y HA 0.144 4.694 4.550 -0.000 0.000 0.283 399 Y C 1.589 177.502 175.900 0.022 0.000 1.109 399 Y CA 0.603 58.726 58.100 0.038 0.000 1.239 399 Y CB 0.452 38.940 38.460 0.047 0.000 1.108 399 Y HN -0.178 nan 8.280 nan 0.000 0.548 400 R N 0.288 120.770 120.500 -0.029 0.000 2.280 400 R HA -0.045 4.295 4.340 -0.000 0.000 0.207 400 R C 1.451 177.693 176.300 -0.096 0.000 1.043 400 R CA 1.251 57.282 56.100 -0.115 0.000 1.006 400 R CB 0.000 30.280 30.300 -0.034 0.000 0.885 400 R HN 0.494 nan 8.270 nan 0.000 0.467 401 E N -0.292 119.876 120.200 -0.054 0.000 2.276 401 E HA -0.017 4.333 4.350 -0.000 0.000 0.193 401 E C 0.977 177.548 176.600 -0.048 0.000 0.983 401 E CA 0.501 56.878 56.400 -0.038 0.000 0.861 401 E CB 0.610 30.305 29.700 -0.009 0.000 0.817 401 E HN 0.060 nan 8.360 nan 0.000 0.485 402 V N 0.772 120.651 119.914 -0.058 0.000 3.596 402 V HA 0.178 4.298 4.120 -0.000 0.000 0.289 402 V C 1.771 177.783 176.094 -0.136 0.000 1.336 402 V CA 0.670 62.939 62.300 -0.052 0.000 1.137 402 V CB 0.137 31.972 31.823 0.020 0.000 0.966 402 V HN 0.200 nan 8.190 nan 0.000 0.428 403 A N 0.932 123.613 122.820 -0.231 0.000 1.972 403 A HA -0.019 4.301 4.320 -0.000 0.000 0.219 403 A C 2.256 179.744 177.584 -0.160 0.000 1.169 403 A CA 2.038 53.890 52.037 -0.308 0.000 0.635 403 A CB -0.219 18.594 19.000 -0.313 0.000 0.810 403 A HN 0.620 nan 8.150 nan 0.000 0.446 404 A N -1.349 121.410 122.820 -0.102 0.000 2.169 404 A HA 0.253 4.573 4.320 -0.000 0.000 0.210 404 A C 1.932 179.491 177.584 -0.042 0.000 1.168 404 A CA 0.983 52.983 52.037 -0.061 0.000 0.813 404 A CB -0.243 18.729 19.000 -0.047 0.000 0.861 404 A HN 0.336 nan 8.150 nan 0.000 0.481 405 S N 0.490 116.165 115.700 -0.041 0.000 2.660 405 S HA 0.161 4.631 4.470 -0.000 0.000 0.228 405 S C 1.514 176.106 174.600 -0.014 0.000 0.966 405 S CA 0.522 58.709 58.200 -0.022 0.000 0.940 405 S CB -0.168 63.023 63.200 -0.015 0.000 0.773 405 S HN 0.685 nan 8.310 nan 0.000 0.535 406 A N 0.368 123.178 122.820 -0.018 0.000 2.265 406 A HA 0.262 4.582 4.320 -0.000 0.000 0.213 406 A C 0.729 178.311 177.584 -0.004 0.000 1.255 406 A CA 0.293 52.326 52.037 -0.006 0.000 0.862 406 A CB 0.017 19.013 19.000 -0.006 0.000 0.852 406 A HN 0.405 nan 8.150 nan 0.000 0.484 415 S N 0.829 116.533 115.700 0.008 0.000 2.406 415 S HA -0.046 4.424 4.470 -0.000 0.000 0.228 415 S C 1.398 176.013 174.600 0.026 0.000 1.020 415 S CA 2.059 60.268 58.200 0.015 0.000 0.965 415 S CB -0.828 62.382 63.200 0.016 0.000 0.798 415 S HN 1.151 nan 8.310 nan 0.000 0.488 416 T N -1.726 112.843 114.554 0.025 0.000 3.176 416 T HA 0.435 4.785 4.350 -0.000 0.000 0.263 416 T C 0.914 175.633 174.700 0.033 0.000 1.021 416 T CA -0.344 61.778 62.100 0.036 0.000 0.905 416 T CB 0.328 69.216 68.868 0.033 0.000 1.057 416 T HN 0.422 nan 8.240 nan 0.000 0.558 417 K N 0.595 121.006 120.400 0.019 0.000 2.313 417 K HA 0.175 4.495 4.320 -0.000 0.000 0.197 417 K C 2.251 178.852 176.600 0.000 0.000 1.061 417 K CA 0.181 56.474 56.287 0.011 0.000 0.980 417 K CB 0.177 32.678 32.500 0.001 0.000 0.888 417 K HN 0.108 nan 8.250 nan 0.000 0.502 418 Q N 0.436 120.232 119.800 -0.007 0.000 2.172 418 Q HA -0.044 4.296 4.340 -0.000 0.000 0.200 418 Q C 1.343 177.320 176.000 -0.039 0.000 0.964 418 Q CA 1.992 57.777 55.803 -0.031 0.000 0.855 418 Q CB -0.151 28.569 28.738 -0.031 0.000 0.918 418 Q HN 0.263 nan 8.270 nan 0.000 0.444 419 T N 0.376 114.935 114.554 0.008 0.000 2.777 419 T HA -0.051 4.299 4.350 -0.000 0.000 0.266 419 T C 1.668 176.394 174.700 0.044 0.000 1.040 419 T CA 1.041 63.160 62.100 0.032 0.000 1.141 419 T CB -0.182 68.757 68.868 0.119 0.000 0.868 419 T HN 0.202 nan 8.240 nan 0.000 0.444 420 L N 0.814 122.094 121.223 0.096 0.000 2.046 420 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 420 L C 2.589 179.483 176.870 0.041 0.000 1.077 420 L CA 0.920 55.854 54.840 0.155 0.000 0.747 420 L CB -0.442 41.683 42.059 0.110 0.000 0.896 420 L HN 0.155 nan 8.230 nan 0.000 0.432 421 V N -0.985 118.911 119.914 -0.029 0.000 2.453 421 V HA -0.181 3.939 4.120 -0.000 0.000 0.247 421 V C 2.618 178.622 176.094 -0.149 0.000 1.048 421 V CA 1.334 63.589 62.300 -0.075 0.000 1.049 421 V CB -0.641 31.136 31.823 -0.076 0.000 0.672 421 V HN 0.371 nan 8.190 nan 0.000 0.457 422 R N 0.662 121.043 120.500 -0.199 0.000 2.062 422 R HA -0.053 4.287 4.340 -0.000 0.000 0.231 422 R C 2.499 178.560 176.300 -0.398 0.000 1.136 422 R CA 1.593 57.513 56.100 -0.301 0.000 0.948 422 R CB -1.185 28.904 30.300 -0.351 0.000 0.845 422 R HN 0.552 nan 8.270 nan 0.000 0.430 423 G N 0.899 109.364 108.800 -0.558 0.000 2.432 423 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.219 423 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.219 423 G C 1.229 175.657 174.900 -0.787 0.000 1.135 423 G CA 0.443 44.887 45.100 -1.092 0.000 0.767 423 G HN 0.386 nan 8.290 nan 0.000 0.550 424 E N -0.079 119.899 120.200 -0.370 0.000 2.153 424 E HA -0.080 4.270 4.350 -0.000 0.000 0.194 424 E C 2.604 179.123 176.600 -0.134 0.000 0.988 424 E CA 0.643 56.977 56.400 -0.110 0.000 0.811 424 E CB -0.015 29.665 29.700 -0.033 0.000 0.746 424 E HN 0.371 nan 8.360 nan 0.000 0.466 425 R N -0.365 120.017 120.500 -0.196 0.000 2.265 425 R HA 0.147 4.487 4.340 -0.000 0.000 0.194 425 R C 2.020 178.213 176.300 -0.178 0.000 0.931 425 R CA 0.053 56.047 56.100 -0.176 0.000 1.032 425 R CB 0.276 30.456 30.300 -0.201 0.000 0.980 425 R HN 0.103 nan 8.270 nan 0.000 0.497 426 L N -0.348 120.744 121.223 -0.219 0.000 2.209 426 L HA -0.024 4.316 4.340 -0.000 0.000 0.207 426 L C 1.889 178.702 176.870 -0.095 0.000 1.094 426 L CA 1.098 55.838 54.840 -0.166 0.000 0.790 426 L CB -0.278 41.660 42.059 -0.203 0.000 0.932 426 L HN 0.124 nan 8.230 nan 0.000 0.447 427 T N -1.112 113.383 114.554 -0.099 0.000 2.668 427 T HA -0.254 4.096 4.350 -0.000 0.000 0.262 427 T C 1.803 176.493 174.700 -0.015 0.000 1.045 427 T CA 1.423 63.512 62.100 -0.018 0.000 1.152 427 T CB -0.151 68.744 68.868 0.045 0.000 0.864 427 T HN 0.156 nan 8.240 nan 0.000 0.419 428 Q N 0.661 120.441 119.800 -0.033 0.000 2.135 428 Q HA -0.001 4.339 4.340 -0.000 0.000 0.204 428 Q C 2.021 178.009 176.000 -0.019 0.000 0.981 428 Q CA 1.383 57.171 55.803 -0.024 0.000 0.856 428 Q CB -0.593 28.123 28.738 -0.037 0.000 0.902 428 Q HN 0.498 nan 8.270 nan 0.000 0.425 429 L N -0.524 120.679 121.223 -0.032 0.000 2.291 429 L HA -0.069 4.271 4.340 -0.000 0.000 0.214 429 L C 1.778 178.654 176.870 0.009 0.000 1.120 429 L CA 0.424 55.257 54.840 -0.012 0.000 0.799 429 L CB -0.135 41.906 42.059 -0.029 0.000 0.925 429 L HN 0.287 nan 8.230 nan 0.000 0.446 430 L N -0.575 120.651 121.223 0.004 0.000 2.552 430 L HA -0.050 4.290 4.340 -0.000 0.000 0.227 430 L C 0.866 177.745 176.870 0.016 0.000 1.146 430 L CA 0.331 55.181 54.840 0.017 0.000 0.858 430 L CB -0.255 41.816 42.059 0.021 0.000 0.969 430 L HN 0.096 nan 8.230 nan 0.000 0.451 431 K N 1.340 121.746 120.400 0.009 0.000 2.412 431 K HA 0.149 4.469 4.320 -0.000 0.000 0.281 431 K C -0.173 176.431 176.600 0.008 0.000 1.027 431 K CA 0.330 56.619 56.287 0.002 0.000 0.989 431 K CB 0.666 33.163 32.500 -0.005 0.000 0.935 431 K HN 0.053 nan 8.250 nan 0.000 0.475 432 Q N 2.193 121.993 119.800 0.001 0.000 2.359 432 Q HA 0.215 4.555 4.340 -0.000 0.000 0.274 432 Q C -1.008 174.987 176.000 -0.008 0.000 1.074 432 Q CA -0.851 54.955 55.803 0.005 0.000 0.810 432 Q CB 1.671 30.413 28.738 0.007 0.000 1.342 432 Q HN 0.525 nan 8.270 nan 0.000 0.427 433 N N 1.885 120.587 118.700 0.003 0.000 2.444 433 N HA 0.028 4.768 4.740 -0.000 0.000 0.255 433 N C -0.607 174.884 175.510 -0.031 0.000 1.255 433 N CA 0.059 53.109 53.050 0.000 0.000 0.933 433 N CB 0.873 39.381 38.487 0.034 0.000 1.143 433 N HN 0.567 nan 8.380 nan 0.000 0.453 434 Q N 0.209 119.960 119.800 -0.081 0.000 2.417 434 Q HA -0.016 4.324 4.340 -0.000 0.000 0.241 434 Q C -0.274 175.627 176.000 -0.165 0.000 1.008 434 Q CA -0.026 55.616 55.803 -0.268 0.000 0.901 434 Q CB 0.323 28.741 28.738 -0.535 0.000 1.259 434 Q HN 0.601 nan 8.270 nan 0.000 0.489 435 Y N -0.781 119.498 120.300 -0.035 0.000 4.893 435 Y HA -0.283 4.267 4.550 -0.000 0.000 0.257 435 Y C 0.442 176.270 175.900 -0.121 0.000 0.958 435 Y CA 1.040 59.065 58.100 -0.126 0.000 1.897 435 Y CB -1.662 36.744 38.460 -0.090 0.000 1.352 435 Y HN 0.383 nan 8.280 nan 0.000 0.499 436 S N 1.338 117.075 115.700 0.062 0.000 2.497 436 S HA 0.379 4.849 4.470 -0.000 0.000 0.193 436 S C -2.120 172.491 174.600 0.020 0.000 1.360 436 S CA -0.983 57.246 58.200 0.049 0.000 1.204 436 S CB 0.439 63.680 63.200 0.068 0.000 1.171 436 S HN 0.066 nan 8.310 nan 0.000 0.502 437 P HA 0.244 nan 4.420 nan 0.000 0.272 437 P C -0.565 176.741 177.300 0.010 0.000 1.240 437 P CA -0.395 62.710 63.100 0.008 0.000 0.791 437 P CB 0.637 32.342 31.700 0.008 0.000 0.978 438 L N 0.076 121.311 121.223 0.021 0.000 2.330 438 L HA 0.662 5.002 4.340 -0.000 0.000 0.271 438 L C 0.461 177.347 176.870 0.027 0.000 1.013 438 L CA -1.328 53.523 54.840 0.019 0.000 0.816 438 L CB 1.678 43.755 42.059 0.029 0.000 1.287 438 L HN 0.375 nan 8.230 nan 0.000 0.435 439 A N 0.696 123.522 122.820 0.010 0.000 2.351 439 A HA 0.300 4.620 4.320 -0.000 0.000 0.257 439 A C 1.192 178.815 177.584 0.065 0.000 1.087 439 A CA -0.164 51.890 52.037 0.029 0.000 0.798 439 A CB 0.508 19.495 19.000 -0.020 0.000 1.033 439 A HN 0.879 nan 8.150 nan 0.000 0.488 440 T N 1.363 115.986 114.554 0.115 0.000 2.718 440 T HA -0.237 4.112 4.350 -0.000 0.000 0.266 440 T C 1.491 176.226 174.700 0.058 0.000 1.033 440 T CA 2.611 64.766 62.100 0.092 0.000 1.151 440 T CB -0.377 68.557 68.868 0.111 0.000 0.853 440 T HN 0.832 nan 8.240 nan 0.000 0.466 441 E N 0.832 121.059 120.200 0.045 0.000 2.106 441 E HA -0.090 4.260 4.350 -0.000 0.000 0.192 441 E C 2.258 178.857 176.600 -0.001 0.000 0.984 441 E CA 1.002 57.411 56.400 0.015 0.000 0.806 441 E CB -0.117 29.584 29.700 0.001 0.000 0.750 441 E HN 0.587 nan 8.360 nan 0.000 0.458 442 E N 0.425 120.627 120.200 0.004 0.000 2.358 442 E HA -0.105 4.245 4.350 -0.000 0.000 0.195 442 E C 1.892 178.510 176.600 0.030 0.000 1.010 442 E CA 0.440 56.840 56.400 -0.000 0.000 0.856 442 E CB 0.120 29.821 29.700 0.001 0.000 0.795 442 E HN 0.332 nan 8.360 nan 0.000 0.504 443 Q N 0.108 119.934 119.800 0.043 0.000 2.165 443 Q HA -0.080 4.260 4.340 -0.000 0.000 0.197 443 Q C 2.518 178.566 176.000 0.081 0.000 0.952 443 Q CA 1.210 57.051 55.803 0.063 0.000 0.848 443 Q CB 0.080 28.854 28.738 0.060 0.000 0.931 443 Q HN 0.203 nan 8.270 nan 0.000 0.470 444 V N -0.317 119.638 119.914 0.068 0.000 2.282 444 V HA -0.178 3.942 4.120 -0.000 0.000 0.249 444 V C -0.851 175.318 176.094 0.124 0.000 1.057 444 V CA 1.458 63.808 62.300 0.084 0.000 1.032 444 V CB -2.273 29.578 31.823 0.046 0.000 0.645 444 V HN 0.213 nan 8.190 nan 0.000 0.447 445 P HA 0.057 nan 4.420 nan 0.000 0.229 445 P C 1.815 179.329 177.300 0.357 0.000 1.160 445 P CA 1.039 64.244 63.100 0.174 0.000 0.777 445 P CB -0.021 31.658 31.700 -0.034 0.000 0.814 446 L N -1.534 119.842 121.223 0.255 0.000 2.168 446 L HA 0.059 4.399 4.340 -0.000 0.000 0.203 446 L C 2.256 179.222 176.870 0.160 0.000 1.078 446 L CA 0.745 55.733 54.840 0.247 0.000 0.780 446 L CB -0.493 41.680 42.059 0.191 0.000 0.939 446 L HN -0.156 nan 8.230 nan 0.000 0.451 447 I N -1.132 119.524 120.570 0.143 0.000 2.493 447 I HA -0.320 3.849 4.170 -0.000 0.000 0.254 447 I C 2.458 178.649 176.117 0.122 0.000 1.160 447 I CA 1.270 62.634 61.300 0.107 0.000 1.445 447 I CB -0.259 37.804 38.000 0.104 0.000 1.086 447 I HN 0.233 nan 8.210 nan 0.000 0.433 448 Y N 1.868 122.204 120.300 0.061 0.000 2.163 448 Y HA -0.255 4.295 4.550 -0.000 0.000 0.288 448 Y C 2.571 178.493 175.900 0.037 0.000 1.136 448 Y CA 1.434 59.568 58.100 0.057 0.000 1.147 448 Y CB -0.377 38.121 38.460 0.064 0.000 0.987 448 Y HN 0.099 nan 8.280 nan 0.000 0.509 449 A N 0.099 122.919 122.820 0.001 0.000 1.940 449 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 449 A C 2.426 179.929 177.584 -0.136 0.000 1.176 449 A CA 1.918 53.875 52.037 -0.133 0.000 0.631 449 A CB -1.669 17.251 19.000 -0.133 0.000 0.814 449 A HN 0.619 nan 8.150 nan 0.000 0.446 450 G N -0.871 107.835 108.800 -0.156 0.000 2.404 450 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.213 450 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.213 450 G C 1.485 176.221 174.900 -0.275 0.000 1.189 450 G CA 1.023 45.997 45.100 -0.210 0.000 0.796 450 G HN 0.296 nan 8.290 nan 0.000 0.532 451 V N 1.465 121.239 119.914 -0.234 0.000 2.392 451 V HA -0.164 3.956 4.120 -0.000 0.000 0.249 451 V C 2.077 178.012 176.094 -0.264 0.000 1.059 451 V CA 1.641 63.794 62.300 -0.246 0.000 1.051 451 V CB -0.391 31.428 31.823 -0.008 0.000 0.658 451 V HN 0.406 nan 8.190 nan 0.000 0.455 452 N N -0.155 118.354 118.700 -0.319 0.000 2.322 452 N HA 0.117 4.857 4.740 -0.000 0.000 0.194 452 N C 1.182 176.512 175.510 -0.299 0.000 1.126 452 N CA 0.704 53.572 53.050 -0.304 0.000 0.845 452 N CB 0.592 38.769 38.487 -0.515 0.000 0.976 452 N HN 0.578 nan 8.380 nan 0.000 0.475 453 G N 1.437 110.076 108.800 -0.267 0.000 2.314 453 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.292 453 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.292 453 G C 0.182 174.878 174.900 -0.340 0.000 1.059 453 G CA 0.379 45.301 45.100 -0.297 0.000 0.982 453 G HN 0.558 nan 8.290 nan 0.000 0.505 454 H N -0.888 118.033 119.070 -0.248 0.000 2.582 454 H HA 0.314 4.870 4.556 -0.000 0.000 0.269 454 H C 2.470 177.648 175.328 -0.249 0.000 0.962 454 H CA 0.798 56.721 56.048 -0.208 0.000 1.230 454 H CB 0.250 29.902 29.762 -0.183 0.000 1.445 454 H HN 0.458 nan 8.280 nan 0.000 0.528 455 L N 0.540 121.640 121.223 -0.205 0.000 2.611 455 L HA 0.048 4.388 4.340 -0.000 0.000 0.229 455 L C 0.693 177.421 176.870 -0.238 0.000 1.137 455 L CA 0.067 54.712 54.840 -0.325 0.000 0.901 455 L CB 0.180 41.962 42.059 -0.461 0.000 1.098 455 L HN 0.151 nan 8.230 nan 0.000 0.456 456 D N 0.974 121.255 120.400 -0.198 0.000 2.351 456 D HA -0.109 4.531 4.640 -0.000 0.000 0.216 456 D C 1.987 178.209 176.300 -0.131 0.000 0.968 456 D CA 1.182 55.082 54.000 -0.167 0.000 0.899 456 D CB 0.118 40.817 40.800 -0.168 0.000 0.907 456 D HN 0.361 nan 8.370 nan 0.000 0.514 457 G N -0.337 108.387 108.800 -0.126 0.000 2.673 457 G HA2 0.092 4.052 3.960 -0.000 0.000 0.208 457 G HA3 0.092 4.052 3.960 -0.000 0.000 0.208 457 G C 0.564 175.416 174.900 -0.080 0.000 1.128 457 G CA -0.254 44.790 45.100 -0.093 0.000 0.805 457 G HN 0.117 nan 8.290 nan 0.000 0.526 458 I N 2.532 123.043 120.570 -0.098 0.000 2.416 458 I HA 0.164 4.334 4.170 -0.000 0.000 0.288 458 I C 0.708 176.783 176.117 -0.071 0.000 1.051 458 I CA -0.664 60.597 61.300 -0.065 0.000 1.375 458 I CB 1.180 39.155 38.000 -0.042 0.000 1.407 458 I HN 0.357 nan 8.210 nan 0.000 0.516 459 E N 5.479 125.656 120.200 -0.039 0.000 2.410 459 E HA 0.012 4.362 4.350 -0.000 0.000 0.255 459 E C 0.873 177.453 176.600 -0.032 0.000 1.194 459 E CA -0.662 55.716 56.400 -0.036 0.000 0.955 459 E CB 0.672 30.359 29.700 -0.023 0.000 0.988 459 E HN 0.419 nan 8.360 nan 0.000 0.461 460 L N 2.007 123.212 121.223 -0.030 0.000 1.989 460 L HA -0.181 4.159 4.340 -0.000 0.000 0.211 460 L C 2.038 178.899 176.870 -0.014 0.000 1.071 460 L CA 2.612 57.434 54.840 -0.029 0.000 0.749 460 L CB -0.616 41.431 42.059 -0.020 0.000 0.890 460 L HN 0.761 nan 8.230 nan 0.000 0.431 461 S N -1.552 114.147 115.700 -0.001 0.000 2.602 461 S HA 0.197 4.667 4.470 -0.000 0.000 0.246 461 S C 1.358 175.973 174.600 0.025 0.000 1.009 461 S CA -0.473 57.733 58.200 0.010 0.000 1.052 461 S CB -0.272 62.933 63.200 0.009 0.000 0.778 461 S HN 0.378 nan 8.310 nan 0.000 0.455 462 R N 0.119 120.639 120.500 0.034 0.000 2.373 462 R HA 0.336 4.676 4.340 -0.000 0.000 0.221 462 R C 0.949 177.324 176.300 0.125 0.000 0.893 462 R CA -0.011 56.133 56.100 0.074 0.000 1.049 462 R CB 0.111 30.457 30.300 0.078 0.000 1.119 462 R HN 0.416 nan 8.270 nan 0.000 0.535 463 I N -0.001 120.607 120.570 0.064 0.000 2.676 463 I HA -0.055 4.115 4.170 -0.000 0.000 0.259 463 I C 2.155 178.335 176.117 0.105 0.000 1.194 463 I CA 1.105 62.432 61.300 0.046 0.000 1.473 463 I CB -1.364 36.597 38.000 -0.066 0.000 1.096 463 I HN 0.109 nan 8.210 nan 0.000 0.443 464 G N 1.999 110.850 108.800 0.085 0.000 2.404 464 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.215 464 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.215 464 G C 1.508 176.477 174.900 0.114 0.000 1.174 464 G CA 0.800 45.949 45.100 0.082 0.000 0.780 464 G HN 0.631 nan 8.290 nan 0.000 0.537 465 E N -0.754 119.521 120.200 0.125 0.000 2.158 465 E HA 0.014 4.364 4.350 -0.000 0.000 0.191 465 E C 2.107 178.810 176.600 0.173 0.000 0.982 465 E CA 0.061 56.533 56.400 0.121 0.000 0.823 465 E CB -0.551 29.201 29.700 0.086 0.000 0.766 465 E HN 0.357 nan 8.360 nan 0.000 0.468 466 F N 2.685 122.681 119.950 0.076 0.000 2.115 466 F HA -0.294 4.233 4.527 -0.000 0.000 0.300 466 F C 2.419 178.315 175.800 0.161 0.000 1.092 466 F CA 2.271 60.342 58.000 0.118 0.000 1.245 466 F CB 0.017 39.053 39.000 0.060 0.000 0.995 466 F HN 0.121 nan 8.300 nan 0.000 0.481 467 E N -0.370 120.061 120.200 0.386 0.000 2.097 467 E HA -0.229 4.121 4.350 -0.000 0.000 0.196 467 E C 2.034 178.748 176.600 0.190 0.000 1.000 467 E CA 1.855 58.425 56.400 0.284 0.000 0.804 467 E CB -0.276 29.534 29.700 0.182 0.000 0.740 467 E HN 0.388 nan 8.360 nan 0.000 0.454 468 S N -0.223 115.557 115.700 0.134 0.000 2.414 468 S HA -0.022 4.448 4.470 -0.000 0.000 0.227 468 S C 1.973 176.601 174.600 0.047 0.000 1.022 468 S CA 0.834 59.080 58.200 0.076 0.000 0.958 468 S CB 0.116 63.354 63.200 0.062 0.000 0.797 468 S HN 0.196 nan 8.310 nan 0.000 0.493 469 S N 0.384 116.112 115.700 0.046 0.000 2.496 469 S HA 0.205 4.675 4.470 -0.000 0.000 0.224 469 S C 0.785 175.270 174.600 -0.193 0.000 0.996 469 S CA 0.236 58.418 58.200 -0.029 0.000 0.927 469 S CB -0.094 63.139 63.200 0.055 0.000 0.774 469 S HN 0.527 nan 8.310 nan 0.000 0.524 470 F N 0.934 120.746 119.950 -0.230 0.000 2.668 470 F HA 0.496 5.023 4.527 -0.000 0.000 0.301 470 F C 0.766 176.528 175.800 -0.064 0.000 1.106 470 F CA -0.345 57.519 58.000 -0.226 0.000 1.289 470 F CB 0.033 39.044 39.000 0.019 0.000 1.006 470 F HN 0.044 nan 8.300 nan 0.000 0.535 471 L N -1.384 119.791 121.223 -0.079 0.000 2.653 471 L HA 0.047 4.387 4.340 -0.000 0.000 0.230 471 L C 2.335 179.139 176.870 -0.111 0.000 1.055 471 L CA 0.936 55.708 54.840 -0.114 0.000 0.880 471 L CB -0.182 41.859 42.059 -0.030 0.000 1.195 471 L HN 0.111 nan 8.230 nan 0.000 0.492 472 S N -0.498 115.158 115.700 -0.074 0.000 2.362 472 S HA -0.219 4.251 4.470 -0.000 0.000 0.221 472 S C 2.024 176.584 174.600 -0.067 0.000 1.032 472 S CA 0.758 58.924 58.200 -0.057 0.000 0.973 472 S CB -0.791 62.394 63.200 -0.024 0.000 0.849 472 S HN 0.410 nan 8.310 nan 0.000 0.465 473 Y N 1.872 122.026 120.300 -0.243 0.000 2.256 473 Y HA 0.097 4.647 4.550 -0.000 0.000 0.288 473 Y C 1.926 177.707 175.900 -0.197 0.000 1.155 473 Y CA 1.250 59.191 58.100 -0.266 0.000 1.203 473 Y CB -0.292 37.834 38.460 -0.557 0.000 0.980 473 Y HN 0.258 nan 8.280 nan 0.000 0.530 474 L N -0.066 121.014 121.223 -0.238 0.000 2.554 474 L HA -0.042 4.298 4.340 -0.000 0.000 0.226 474 L C 1.778 178.549 176.870 -0.165 0.000 1.137 474 L CA 0.874 55.535 54.840 -0.298 0.000 0.863 474 L CB -0.110 41.643 42.059 -0.510 0.000 0.985 474 L HN 0.128 nan 8.230 nan 0.000 0.451 475 K N -2.055 118.259 120.400 -0.143 0.000 2.348 475 K HA 0.104 4.424 4.320 -0.000 0.000 0.194 475 K C 2.118 178.647 176.600 -0.117 0.000 1.052 475 K CA 0.221 56.442 56.287 -0.110 0.000 1.004 475 K CB 0.526 32.973 32.500 -0.088 0.000 0.873 475 K HN 0.067 nan 8.250 nan 0.000 0.523 476 S N 1.586 117.200 115.700 -0.144 0.000 2.338 476 S HA -0.072 4.398 4.470 -0.000 0.000 0.218 476 S C 1.348 175.825 174.600 -0.206 0.000 1.032 476 S CA 1.410 59.516 58.200 -0.156 0.000 0.999 476 S CB -0.078 63.025 63.200 -0.163 0.000 0.905 476 S HN 0.344 nan 8.310 nan 0.000 0.439 477 N N -0.159 118.355 118.700 -0.310 0.000 2.348 477 N HA 0.061 4.801 4.740 -0.000 0.000 0.183 477 N C 0.044 175.211 175.510 -0.571 0.000 1.094 477 N CA 0.445 53.203 53.050 -0.487 0.000 0.885 477 N CB 0.047 38.097 38.487 -0.728 0.000 1.065 477 N HN 0.494 nan 8.380 nan 0.000 0.472 478 H N -0.068 118.861 119.070 -0.234 0.000 2.481 478 H HA 0.267 4.823 4.556 -0.000 0.000 0.273 478 H C 0.395 175.629 175.328 -0.157 0.000 1.145 478 H CA -0.245 55.691 56.048 -0.186 0.000 0.964 478 H CB 0.451 30.085 29.762 -0.214 0.000 1.722 478 H HN 0.066 nan 8.280 nan 0.000 0.573 479 N N 1.328 119.987 118.700 -0.069 0.000 2.409 479 N HA -0.096 4.644 4.740 -0.000 0.000 0.179 479 N C 1.498 176.977 175.510 -0.051 0.000 1.032 479 N CA 0.649 53.661 53.050 -0.064 0.000 0.898 479 N CB 0.355 38.799 38.487 -0.073 0.000 0.971 479 N HN 0.434 nan 8.380 nan 0.000 0.441 480 E N -0.209 119.960 120.200 -0.052 0.000 2.265 480 E HA -0.102 4.248 4.350 -0.000 0.000 0.196 480 E C 1.610 178.193 176.600 -0.027 0.000 0.996 480 E CA 0.570 56.946 56.400 -0.039 0.000 0.832 480 E CB 0.046 29.719 29.700 -0.044 0.000 0.756 480 E HN 0.434 nan 8.360 nan 0.000 0.491 481 L N 0.178 121.388 121.223 -0.022 0.000 2.044 481 L HA -0.126 4.214 4.340 -0.000 0.000 0.205 481 L C 2.396 179.246 176.870 -0.033 0.000 1.075 481 L CA 0.813 55.639 54.840 -0.023 0.000 0.747 481 L CB -0.506 41.542 42.059 -0.019 0.000 0.903 481 L HN 0.170 nan 8.230 nan 0.000 0.435 482 L N -0.313 120.885 121.223 -0.042 0.000 2.046 482 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 482 L C 2.705 179.561 176.870 -0.022 0.000 1.077 482 L CA 1.572 56.389 54.840 -0.039 0.000 0.747 482 L CB -1.039 40.989 42.059 -0.051 0.000 0.896 482 L HN 0.308 nan 8.230 nan 0.000 0.432 483 T N -1.164 113.376 114.554 -0.023 0.000 2.720 483 T HA -0.255 4.095 4.350 -0.000 0.000 0.268 483 T C 1.763 176.460 174.700 -0.004 0.000 1.037 483 T CA 1.507 63.599 62.100 -0.014 0.000 1.144 483 T CB -0.192 68.664 68.868 -0.019 0.000 0.864 483 T HN 0.374 nan 8.240 nan 0.000 0.444 484 E N 0.522 120.718 120.200 -0.007 0.000 2.150 484 E HA -0.064 4.286 4.350 -0.000 0.000 0.193 484 E C 2.097 178.699 176.600 0.004 0.000 0.985 484 E CA 0.641 57.039 56.400 -0.002 0.000 0.814 484 E CB -0.183 29.513 29.700 -0.007 0.000 0.752 484 E HN 0.514 nan 8.360 nan 0.000 0.466 485 I N 0.460 121.031 120.570 0.001 0.000 2.286 485 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 485 I C 2.750 178.884 176.117 0.027 0.000 1.115 485 I CA 0.916 62.222 61.300 0.009 0.000 1.392 485 I CB -0.216 37.784 38.000 0.001 0.000 1.065 485 I HN 0.066 nan 8.210 nan 0.000 0.418 486 R N 1.230 121.749 120.500 0.032 0.000 2.055 486 R HA -0.136 4.204 4.340 -0.000 0.000 0.228 486 R C 2.178 178.518 176.300 0.066 0.000 1.143 486 R CA 1.586 57.723 56.100 0.062 0.000 0.945 486 R CB -0.077 30.253 30.300 0.050 0.000 0.841 486 R HN 0.278 nan 8.270 nan 0.000 0.429 487 E N -0.113 120.114 120.200 0.045 0.000 2.107 487 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 487 E C 2.005 178.622 176.600 0.030 0.000 0.982 487 E CA 1.043 57.468 56.400 0.041 0.000 0.809 487 E CB 0.194 29.911 29.700 0.030 0.000 0.756 487 E HN 0.275 nan 8.360 nan 0.000 0.459 488 K N -0.682 119.731 120.400 0.022 0.000 1.991 488 K HA 0.013 4.333 4.320 -0.000 0.000 0.208 488 K C 1.076 177.685 176.600 0.015 0.000 1.038 488 K CA 0.995 57.291 56.287 0.016 0.000 0.943 488 K CB 0.084 32.590 32.500 0.011 0.000 0.736 488 K HN 0.246 nan 8.250 nan 0.000 0.440 489 G N 1.837 110.647 108.800 0.016 0.000 2.164 489 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.212 489 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.212 489 G C -0.302 174.605 174.900 0.011 0.000 1.031 489 G CA -0.046 45.062 45.100 0.014 0.000 0.730 489 G HN 0.303 nan 8.290 nan 0.000 0.501 490 E N -1.319 118.887 120.200 0.011 0.000 2.423 490 E HA 0.751 5.101 4.350 -0.000 0.000 0.269 490 E C -0.296 176.309 176.600 0.008 0.000 0.948 490 E CA -1.021 55.385 56.400 0.010 0.000 0.802 490 E CB 1.671 31.377 29.700 0.010 0.000 1.339 490 E HN 0.150 nan 8.360 nan 0.000 0.445 491 L N 1.899 123.128 121.223 0.010 0.000 2.928 491 L HA 0.124 4.464 4.340 -0.000 0.000 0.318 491 L C 0.009 176.885 176.870 0.009 0.000 1.305 491 L CA -0.172 54.672 54.840 0.006 0.000 0.756 491 L CB 0.964 43.031 42.059 0.012 0.000 1.155 491 L HN 0.433 nan 8.230 nan 0.000 0.561 492 S N -1.469 114.236 115.700 0.009 0.000 2.572 492 S HA 0.049 4.519 4.470 -0.000 0.000 0.267 492 S C 1.246 175.852 174.600 0.010 0.000 1.361 492 S CA -0.366 57.841 58.200 0.012 0.000 1.009 492 S CB 1.063 64.269 63.200 0.010 0.000 0.888 492 S HN 0.292 nan 8.310 nan 0.000 0.553 493 K N 1.033 121.443 120.400 0.016 0.000 2.242 493 K HA -0.196 4.124 4.320 -0.000 0.000 0.206 493 K C 1.956 178.562 176.600 0.011 0.000 1.045 493 K CA 2.028 58.327 56.287 0.019 0.000 0.930 493 K CB -0.391 32.124 32.500 0.025 0.000 0.726 493 K HN 0.665 nan 8.250 nan 0.000 0.462 494 E N 0.282 120.486 120.200 0.007 0.000 2.038 494 E HA -0.154 4.196 4.350 -0.000 0.000 0.195 494 E C 1.829 178.423 176.600 -0.009 0.000 1.000 494 E CA 1.239 57.641 56.400 0.002 0.000 0.803 494 E CB -0.237 29.465 29.700 0.003 0.000 0.750 494 E HN 0.156 nan 8.360 nan 0.000 0.448 495 L N -0.097 121.117 121.223 -0.014 0.000 2.083 495 L HA -0.134 4.206 4.340 -0.000 0.000 0.209 495 L C 2.231 179.063 176.870 -0.065 0.000 1.083 495 L CA 0.942 55.763 54.840 -0.032 0.000 0.752 495 L CB -0.294 41.750 42.059 -0.024 0.000 0.899 495 L HN 0.116 nan 8.230 nan 0.000 0.433 496 L N -0.895 120.298 121.223 -0.051 0.000 2.376 496 L HA -0.082 4.258 4.340 -0.000 0.000 0.219 496 L C 2.509 179.338 176.870 -0.069 0.000 1.133 496 L CA 0.637 55.429 54.840 -0.080 0.000 0.816 496 L CB -0.444 41.614 42.059 -0.001 0.000 0.933 496 L HN 0.245 nan 8.230 nan 0.000 0.449 497 A N -1.395 121.408 122.820 -0.027 0.000 2.072 497 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 497 A C 2.381 179.957 177.584 -0.014 0.000 1.156 497 A CA 1.177 53.213 52.037 -0.001 0.000 0.701 497 A CB -0.103 18.907 19.000 0.016 0.000 0.816 497 A HN 0.320 nan 8.150 nan 0.000 0.458 498 S N -0.384 115.293 115.700 -0.039 0.000 2.387 498 S HA 0.009 4.479 4.470 -0.000 0.000 0.221 498 S C 1.744 176.296 174.600 -0.080 0.000 1.041 498 S CA 0.818 58.998 58.200 -0.032 0.000 0.959 498 S CB -0.361 62.824 63.200 -0.026 0.000 0.843 498 S HN 0.362 nan 8.310 nan 0.000 0.488 499 L N 2.376 123.492 121.223 -0.179 0.000 1.971 499 L HA -0.147 4.193 4.340 -0.000 0.000 0.215 499 L C 2.358 179.009 176.870 -0.366 0.000 1.072 499 L CA 1.841 56.477 54.840 -0.340 0.000 0.758 499 L CB -0.554 41.153 42.059 -0.586 0.000 0.889 499 L HN 0.205 nan 8.230 nan 0.000 0.433 500 K N -0.670 119.508 120.400 -0.370 0.000 2.015 500 K HA -0.256 4.064 4.320 -0.000 0.000 0.220 500 K C 1.978 178.628 176.600 0.084 0.000 1.055 500 K CA 2.357 58.635 56.287 -0.016 0.000 0.951 500 K CB -0.363 32.202 32.500 0.108 0.000 0.725 500 K HN 0.526 nan 8.250 nan 0.000 0.449 501 S N -0.606 115.132 115.700 0.063 0.000 2.595 501 S HA -0.018 4.452 4.470 -0.000 0.000 0.235 501 S C 1.585 176.259 174.600 0.124 0.000 0.974 501 S CA 0.762 59.022 58.200 0.099 0.000 0.942 501 S CB 0.173 63.423 63.200 0.083 0.000 0.766 501 S HN 0.430 nan 8.310 nan 0.000 0.536 502 A N 1.002 123.889 122.820 0.111 0.000 2.197 502 A HA 0.277 4.597 4.320 -0.000 0.000 0.210 502 A C 2.096 179.867 177.584 0.312 0.000 1.180 502 A CA 0.641 52.764 52.037 0.143 0.000 0.846 502 A CB -0.579 18.381 19.000 -0.067 0.000 0.884 502 A HN 0.469 nan 8.150 nan 0.000 0.487 503 T N 0.989 115.683 114.554 0.234 0.000 2.698 503 T HA -0.098 4.252 4.350 -0.000 0.000 0.260 503 T C 1.670 176.373 174.700 0.005 0.000 1.044 503 T CA 1.808 63.939 62.100 0.052 0.000 1.149 503 T CB -0.299 68.463 68.868 -0.177 0.000 0.864 503 T HN 0.608 nan 8.240 nan 0.000 0.419 504 E N 1.705 121.963 120.200 0.096 0.000 2.204 504 E HA -0.052 4.298 4.350 -0.000 0.000 0.195 504 E C 2.182 178.855 176.600 0.121 0.000 0.990 504 E CA 0.805 57.293 56.400 0.146 0.000 0.821 504 E CB -0.413 29.396 29.700 0.182 0.000 0.750 504 E HN 0.327 nan 8.360 nan 0.000 0.477 505 S N -0.976 114.826 115.700 0.170 0.000 2.469 505 S HA -0.101 4.369 4.470 -0.000 0.000 0.238 505 S C 1.171 175.914 174.600 0.239 0.000 0.998 505 S CA 0.768 59.101 58.200 0.222 0.000 0.957 505 S CB -0.120 63.259 63.200 0.299 0.000 0.764 505 S HN 0.376 nan 8.310 nan 0.000 0.514 506 F N 0.166 120.082 119.950 -0.057 0.000 2.711 506 F HA 0.361 4.888 4.527 -0.000 0.000 0.296 506 F C 1.690 177.367 175.800 -0.205 0.000 1.096 506 F CA 0.034 57.866 58.000 -0.280 0.000 1.280 506 F CB -0.116 38.587 39.000 -0.496 0.000 1.060 506 F HN -0.011 nan 8.300 nan 0.000 0.608 507 V N 0.828 120.650 119.914 -0.153 0.000 2.407 507 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 507 V C 2.723 178.725 176.094 -0.154 0.000 1.055 507 V CA 1.844 64.070 62.300 -0.124 0.000 1.049 507 V CB -1.499 30.330 31.823 0.011 0.000 0.662 507 V HN 0.389 nan 8.190 nan 0.000 0.455 508 A N -0.618 122.143 122.820 -0.098 0.000 1.933 508 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 508 A C 1.675 179.179 177.584 -0.134 0.000 1.175 508 A CA 1.870 53.861 52.037 -0.077 0.000 0.628 508 A CB -0.593 18.399 19.000 -0.014 0.000 0.814 508 A HN 0.532 nan 8.150 nan 0.000 0.444 509 T N 0.000 114.420 114.554 -0.223 0.000 3.816 509 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 509 T CA 0.000 61.933 62.100 -0.278 0.000 1.349 509 T CB 0.000 68.738 68.868 -0.217 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658