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 3ofn_1_S DATA FIRST_RESID 26 DATA SEQUENCE NLNETGRVLA VGDGIARVFG LNNIQAEELV EFSSGVKGMA LILEPGQVGI DATA SEQUENCE VLFGSDRLVK EGELVKRTGN IVDVPVGPGL LGRVVDALGN PIDGKGPIDA DATA SEQUENCE AGRSRAQVKA PGILPRRSVH EPVQTGLKAV DALVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTAVALDTI LNQKRWNNGS DESKKLYCVY VAVGQKRSTV AQLVQTLEQH DATA SEQUENCE DAMKYSIIVA ATASEAAPLQ YLAPFTAASI GEWFRDNGKH ALIVYDDLSK DATA SEQUENCE QAVAYRQLSL LLRRPPGREA YPGDVFYLHS RLLERAAKLS EKEGSGSLTA DATA SEQUENCE LPVIETQGGD VSAYIPTNVI SITDGQIFLE AELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQVKAL KQVAGSLKLF LAQYREVAAF AQXXSDLDAS TKQTLVRGER DATA SEQUENCE LTQLLKQNQY SPLATEEQVP LIYAGVNGHL DGIELSRIGE FESSFLSYLK DATA SEQUENCE SNHNELLTEI REKGELSKEL LASLKSATES FVATF 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 26 N HA 0.000 nan 4.740 nan 0.000 0.220 26 N C 0.000 175.514 175.510 0.007 0.000 1.280 26 N CA 0.000 53.056 53.050 0.010 0.000 0.885 26 N CB 0.000 38.489 38.487 0.004 0.000 1.341 27 L N 0.000 121.225 121.223 0.003 0.000 4.892 27 L HA -0.220 4.120 4.340 0.000 0.000 0.403 27 L C -0.304 176.537 176.870 -0.049 0.000 0.913 27 L CA 0.913 55.744 54.840 -0.015 0.000 1.653 27 L CB -1.543 40.517 42.059 0.001 0.000 1.780 27 L HN 0.331 nan 8.230 nan 0.000 0.597 28 N N -0.517 118.161 118.700 -0.037 0.000 2.220 28 N HA 0.076 4.816 4.740 0.000 0.000 0.195 28 N C 1.207 176.692 175.510 -0.041 0.000 1.123 28 N CA 0.532 53.556 53.050 -0.043 0.000 0.874 28 N CB 0.458 38.926 38.487 -0.032 0.000 0.995 28 N HN 0.399 nan 8.380 nan 0.000 0.498 29 E N -1.068 119.110 120.200 -0.037 0.000 2.633 29 E HA 0.115 4.465 4.350 0.000 0.000 0.222 29 E C 0.050 176.623 176.600 -0.044 0.000 0.899 29 E CA 0.374 56.752 56.400 -0.037 0.000 1.292 29 E CB 0.975 30.660 29.700 -0.026 0.000 1.257 29 E HN 0.257 nan 8.360 nan 0.000 0.626 30 T N -1.406 113.125 114.554 -0.038 0.000 2.930 30 T HA 0.811 5.161 4.350 0.000 0.000 0.290 30 T C 0.311 174.994 174.700 -0.030 0.000 1.052 30 T CA -0.706 61.374 62.100 -0.034 0.000 1.017 30 T CB 2.605 71.467 68.868 -0.010 0.000 1.137 30 T HN 0.024 nan 8.240 nan 0.000 0.511 31 G N -0.905 107.884 108.800 -0.019 0.000 2.704 31 G HA2 0.710 4.670 3.960 0.000 0.000 0.293 31 G HA3 0.710 4.670 3.960 0.000 0.000 0.293 31 G C -1.239 173.700 174.900 0.066 0.000 1.421 31 G CA -0.847 44.265 45.100 0.020 0.000 0.870 31 G HN 0.934 nan 8.290 nan 0.000 0.492 32 R N -0.074 120.507 120.500 0.136 0.000 2.494 32 R HA 0.755 5.095 4.340 0.000 0.000 0.305 32 R C -0.231 176.154 176.300 0.141 0.000 0.959 32 R CA -0.636 55.540 56.100 0.127 0.000 0.864 32 R CB 1.248 31.617 30.300 0.114 0.000 1.159 32 R HN 1.056 nan 8.270 nan 0.000 0.446 33 V N 4.761 124.752 119.914 0.128 0.000 2.450 33 V HA 0.060 4.180 4.120 0.000 0.000 0.281 33 V C 1.498 177.643 176.094 0.086 0.000 1.019 33 V CA 0.210 62.589 62.300 0.132 0.000 1.062 33 V CB 0.319 32.226 31.823 0.141 0.000 0.979 33 V HN 0.859 nan 8.190 nan 0.000 0.477 34 L N 3.965 125.241 121.223 0.088 0.000 2.162 34 L HA 0.359 4.699 4.340 0.000 0.000 0.205 34 L C 1.045 177.935 176.870 0.033 0.000 1.086 34 L CA 1.208 56.078 54.840 0.050 0.000 0.778 34 L CB -0.018 42.082 42.059 0.068 0.000 0.928 34 L HN 0.781 nan 8.230 nan 0.000 0.446 35 A N -1.034 121.810 122.820 0.041 0.000 2.594 35 A HA 0.671 4.991 4.320 0.000 0.000 0.295 35 A C -1.633 175.961 177.584 0.017 0.000 1.071 35 A CA -0.358 51.692 52.037 0.021 0.000 0.685 35 A CB 2.043 21.052 19.000 0.015 0.000 1.285 35 A HN -0.212 nan 8.150 nan 0.000 0.405 36 V N 0.022 119.933 119.914 -0.005 0.000 2.876 36 V HA 0.945 5.065 4.120 0.000 0.000 0.312 36 V C -0.000 176.074 176.094 -0.032 0.000 1.085 36 V CA 0.830 63.113 62.300 -0.028 0.000 0.945 36 V CB 2.131 33.921 31.823 -0.055 0.000 1.017 36 V HN 2.415 nan 8.190 nan 0.000 0.428 37 G N 3.313 112.089 108.800 -0.041 0.000 2.282 37 G HA2 0.447 4.407 3.960 0.000 0.000 0.274 37 G HA3 0.447 4.407 3.960 0.000 0.000 0.274 37 G C -0.867 174.011 174.900 -0.035 0.000 1.718 37 G CA -0.015 45.063 45.100 -0.036 0.000 0.927 37 G HN 0.912 nan 8.290 nan 0.000 0.733 38 D N -0.384 119.995 120.400 -0.034 0.000 2.947 38 D HA -0.088 4.552 4.640 0.000 0.000 0.224 38 D C 1.680 177.959 176.300 -0.035 0.000 1.132 38 D CA 2.922 56.903 54.000 -0.031 0.000 0.801 38 D CB -1.283 39.500 40.800 -0.029 0.000 1.097 38 D HN 2.373 nan 8.370 nan 0.000 0.431 39 G N -0.983 107.791 108.800 -0.044 0.000 2.155 39 G HA2 -0.302 3.658 3.960 0.000 0.000 0.257 39 G HA3 -0.302 3.658 3.960 0.000 0.000 0.257 39 G C 0.238 175.101 174.900 -0.062 0.000 0.983 39 G CA 0.553 45.623 45.100 -0.051 0.000 0.676 39 G HN 0.521 nan 8.290 nan 0.000 0.528 40 I N 0.227 120.764 120.570 -0.054 0.000 2.493 40 I HA 0.762 4.932 4.170 0.000 0.000 0.298 40 I C 0.347 176.444 176.117 -0.034 0.000 0.998 40 I CA -1.018 60.258 61.300 -0.039 0.000 1.137 40 I CB 1.641 39.625 38.000 -0.026 0.000 1.310 40 I HN 0.393 nan 8.210 nan 0.000 0.445 41 A N 6.241 129.065 122.820 0.008 0.000 2.335 41 A HA 0.687 5.007 4.320 0.000 0.000 0.304 41 A C -0.353 177.285 177.584 0.090 0.000 1.118 41 A CA -0.722 51.348 52.037 0.055 0.000 0.757 41 A CB 0.929 20.005 19.000 0.127 0.000 1.188 41 A HN 0.717 nan 8.150 nan 0.000 0.460 42 R N 1.396 121.939 120.500 0.071 0.000 2.221 42 R HA 0.560 4.900 4.340 0.000 0.000 0.327 42 R C -0.938 175.425 176.300 0.105 0.000 1.033 42 R CA -0.163 55.982 56.100 0.074 0.000 0.887 42 R CB 1.469 31.801 30.300 0.054 0.000 1.057 42 R HN 0.473 nan 8.270 nan 0.000 0.455 43 V N 4.211 124.188 119.914 0.106 0.000 2.769 43 V HA 0.420 4.540 4.120 0.000 0.000 0.312 43 V C -0.810 175.369 176.094 0.142 0.000 1.061 43 V CA -0.888 61.486 62.300 0.122 0.000 0.931 43 V CB 1.868 33.737 31.823 0.077 0.000 1.010 43 V HN 0.537 nan 8.190 nan 0.000 0.433 44 F N 2.620 122.576 119.950 0.010 0.000 2.422 44 F HA 0.808 5.335 4.527 -0.000 0.000 0.333 44 F C 0.832 176.629 175.800 -0.006 0.000 1.095 44 F CA 1.250 59.252 58.000 0.003 0.000 1.038 44 F CB 1.531 40.534 39.000 0.006 0.000 1.156 44 F HN 0.903 nan 8.300 nan 0.000 0.483 45 G N 3.777 112.187 108.800 -0.651 0.000 2.554 45 G HA2 -0.242 3.718 3.960 0.000 0.000 0.253 45 G HA3 -0.242 3.718 3.960 0.000 0.000 0.253 45 G C 0.134 174.894 174.900 -0.233 0.000 1.172 45 G CA -0.353 44.518 45.100 -0.381 0.000 0.950 45 G HN 1.316 nan 8.290 nan 0.000 0.557 46 L N 0.281 121.424 121.223 -0.133 0.000 3.854 46 L HA -0.211 4.129 4.340 0.000 0.000 0.460 46 L C 1.450 178.257 176.870 -0.106 0.000 1.228 46 L CA 0.580 55.358 54.840 -0.104 0.000 0.760 46 L CB -1.158 40.845 42.059 -0.095 0.000 1.597 46 L HN 0.619 nan 8.230 nan 0.000 0.852 47 N N 0.059 118.692 118.700 -0.111 0.000 2.396 47 N HA -0.055 4.685 4.740 0.000 0.000 0.180 47 N C 1.241 176.710 175.510 -0.069 0.000 1.028 47 N CA 0.943 53.931 53.050 -0.103 0.000 0.893 47 N CB 0.005 38.429 38.487 -0.106 0.000 0.967 47 N HN 0.549 nan 8.380 nan 0.000 0.440 48 N N 0.542 119.208 118.700 -0.056 0.000 2.236 48 N HA 0.132 4.872 4.740 0.000 0.000 0.196 48 N C 0.438 175.926 175.510 -0.036 0.000 1.114 48 N CA -0.181 52.845 53.050 -0.040 0.000 0.859 48 N CB 1.049 39.517 38.487 -0.033 0.000 0.982 48 N HN 0.270 nan 8.380 nan 0.000 0.493 49 I N 1.481 122.025 120.570 -0.044 0.000 2.872 49 I HA -0.124 4.046 4.170 0.000 0.000 0.291 49 I C 0.059 176.161 176.117 -0.025 0.000 1.216 49 I CA 0.155 61.433 61.300 -0.037 0.000 1.424 49 I CB 0.587 38.559 38.000 -0.048 0.000 1.351 49 I HN 0.025 nan 8.210 nan 0.000 0.592 50 Q N 5.679 125.470 119.800 -0.015 0.000 2.230 50 Q HA 0.478 4.818 4.340 0.000 0.000 0.253 50 Q C -0.135 175.866 176.000 0.001 0.000 0.919 50 Q CA -0.885 54.915 55.803 -0.005 0.000 0.908 50 Q CB 1.523 30.261 28.738 0.001 0.000 1.245 50 Q HN 0.778 nan 8.270 nan 0.000 0.437 51 A N 2.731 125.554 122.820 0.004 0.000 2.561 51 A HA -0.057 4.263 4.320 0.000 0.000 0.251 51 A C 0.212 177.811 177.584 0.024 0.000 1.062 51 A CA 0.560 52.605 52.037 0.014 0.000 0.761 51 A CB -0.387 18.622 19.000 0.015 0.000 0.986 51 A HN 1.001 nan 8.150 nan 0.000 0.510 52 E N -0.405 119.817 120.200 0.036 0.000 3.413 52 E HA -0.200 4.150 4.350 0.000 0.000 0.300 52 E C 0.167 176.803 176.600 0.061 0.000 0.891 52 E CA 1.192 57.627 56.400 0.058 0.000 1.050 52 E CB -1.420 28.315 29.700 0.057 0.000 1.534 52 E HN 0.941 nan 8.360 nan 0.000 0.436 53 E N 0.733 120.957 120.200 0.040 0.000 2.373 53 E HA 0.219 4.569 4.350 0.000 0.000 0.267 53 E C -0.199 176.434 176.600 0.055 0.000 1.032 53 E CA -0.495 55.928 56.400 0.038 0.000 0.889 53 E CB 0.586 30.293 29.700 0.012 0.000 0.984 53 E HN 0.010 nan 8.360 nan 0.000 0.425 54 L N 4.062 125.334 121.223 0.082 0.000 2.466 54 L HA 0.256 4.596 4.340 0.000 0.000 0.257 54 L C -0.357 176.540 176.870 0.043 0.000 1.189 54 L CA -0.009 54.903 54.840 0.121 0.000 0.813 54 L CB 1.415 43.581 42.059 0.179 0.000 1.118 54 L HN 0.449 nan 8.230 nan 0.000 0.471 55 V N -0.937 118.989 119.914 0.021 0.000 3.130 55 V HA 0.677 4.797 4.120 0.000 0.000 0.310 55 V C -0.897 175.160 176.094 -0.061 0.000 1.158 55 V CA -0.862 61.385 62.300 -0.088 0.000 1.029 55 V CB 1.850 33.521 31.823 -0.254 0.000 1.057 55 V HN 0.791 nan 8.190 nan 0.000 0.436 56 E N 1.043 121.174 120.200 -0.116 0.000 2.187 56 E HA 0.584 4.934 4.350 0.000 0.000 0.268 56 E C -1.596 174.922 176.600 -0.136 0.000 0.896 56 E CA -0.669 55.713 56.400 -0.031 0.000 0.766 56 E CB 1.774 31.489 29.700 0.025 0.000 1.142 56 E HN 0.621 nan 8.360 nan 0.000 0.408 57 F N 1.136 121.105 119.950 0.032 0.000 2.348 57 F HA 0.167 4.694 4.527 -0.000 0.000 0.308 57 F C 1.886 177.700 175.800 0.024 0.000 1.175 57 F CA -0.193 57.821 58.000 0.023 0.000 1.080 57 F CB 1.021 40.032 39.000 0.018 0.000 1.341 57 F HN 0.503 nan 8.300 nan 0.000 0.518 58 S N -0.014 115.840 115.700 0.257 0.000 2.351 58 S HA -0.213 4.257 4.470 0.000 0.000 0.220 58 S C 2.102 176.775 174.600 0.122 0.000 1.035 58 S CA 1.798 60.084 58.200 0.143 0.000 1.031 58 S CB -0.713 62.560 63.200 0.121 0.000 0.928 58 S HN 0.692 nan 8.310 nan 0.000 0.433 59 S N 0.659 116.436 115.700 0.128 0.000 2.493 59 S HA 0.130 4.600 4.470 0.000 0.000 0.243 59 S C 1.666 176.321 174.600 0.091 0.000 0.991 59 S CA 0.991 59.241 58.200 0.084 0.000 0.957 59 S CB -0.657 62.573 63.200 0.050 0.000 0.756 59 S HN 0.956 nan 8.310 nan 0.000 0.521 60 G N 0.036 108.913 108.800 0.129 0.000 2.176 60 G HA2 -0.245 3.715 3.960 0.000 0.000 0.232 60 G HA3 -0.245 3.715 3.960 0.000 0.000 0.232 60 G C 0.141 175.129 174.900 0.146 0.000 0.986 60 G CA -0.018 45.153 45.100 0.118 0.000 0.643 60 G HN 0.933 nan 8.290 nan 0.000 0.522 61 V N 1.129 121.144 119.914 0.169 0.000 2.715 61 V HA 0.551 4.671 4.120 0.000 0.000 0.299 61 V C 0.691 176.983 176.094 0.329 0.000 1.054 61 V CA 0.177 62.589 62.300 0.188 0.000 1.077 61 V CB 0.985 32.852 31.823 0.074 0.000 0.972 61 V HN 0.324 nan 8.190 nan 0.000 0.484 62 K N 4.055 124.660 120.400 0.342 0.000 2.139 62 K HA 0.812 5.132 4.320 0.000 0.000 0.243 62 K C -0.113 176.685 176.600 0.329 0.000 0.983 62 K CA -0.195 56.337 56.287 0.409 0.000 0.890 62 K CB 1.880 34.656 32.500 0.460 0.000 1.090 62 K HN 0.955 nan 8.250 nan 0.000 0.445 63 G N 0.778 109.653 108.800 0.124 0.000 2.646 63 G HA2 0.497 4.457 3.960 0.000 0.000 0.291 63 G HA3 0.497 4.457 3.960 0.000 0.000 0.291 63 G C -1.417 173.326 174.900 -0.263 0.000 1.445 63 G CA -0.978 43.904 45.100 -0.363 0.000 0.814 63 G HN 0.565 nan 8.290 nan 0.000 0.495 64 M N 0.416 119.793 119.600 -0.371 0.000 2.456 64 M HA 0.836 5.316 4.480 0.000 0.000 0.324 64 M C -0.142 176.139 176.300 -0.032 0.000 1.124 64 M CA -0.975 54.289 55.300 -0.058 0.000 0.959 64 M CB 2.584 35.265 32.600 0.135 0.000 1.692 64 M HN 0.760 nan 8.290 nan 0.000 0.444 65 A N 4.204 127.025 122.820 0.001 0.000 2.527 65 A HA 0.471 4.791 4.320 0.000 0.000 0.313 65 A C 0.485 178.079 177.584 0.016 0.000 1.410 65 A CA -0.631 51.405 52.037 -0.002 0.000 1.060 65 A CB -0.416 18.576 19.000 -0.013 0.000 1.137 65 A HN 1.084 nan 8.150 nan 0.000 0.542 66 L N 2.329 123.560 121.223 0.014 0.000 2.202 66 L HA 0.214 4.554 4.340 0.000 0.000 0.205 66 L C 0.307 177.188 176.870 0.018 0.000 1.083 66 L CA 0.894 55.748 54.840 0.025 0.000 0.790 66 L CB 0.024 42.091 42.059 0.014 0.000 0.942 66 L HN 0.587 nan 8.230 nan 0.000 0.452 67 I N 0.921 121.495 120.570 0.008 0.000 2.389 67 I HA 0.213 4.383 4.170 0.000 0.000 0.288 67 I C -0.815 175.302 176.117 0.001 0.000 0.999 67 I CA -0.342 60.962 61.300 0.006 0.000 1.129 67 I CB 1.819 39.821 38.000 0.003 0.000 1.288 67 I HN -0.036 nan 8.210 nan 0.000 0.444 68 L N 6.936 128.159 121.223 -0.001 0.000 2.297 68 L HA 0.449 4.789 4.340 0.000 0.000 0.277 68 L C -0.004 176.860 176.870 -0.010 0.000 1.040 68 L CA -0.319 54.514 54.840 -0.011 0.000 0.867 68 L CB 0.409 42.460 42.059 -0.013 0.000 1.244 68 L HN 0.593 nan 8.230 nan 0.000 0.433 69 E N 3.169 123.363 120.200 -0.010 0.000 2.248 69 E HA 0.244 4.594 4.350 0.000 0.000 0.272 69 E C -1.554 175.037 176.600 -0.014 0.000 1.008 69 E CA -1.803 54.594 56.400 -0.005 0.000 0.856 69 E CB 1.695 31.398 29.700 0.005 0.000 1.120 69 E HN 0.257 nan 8.360 nan 0.000 0.397 70 P HA -0.201 nan 4.420 nan 0.000 0.216 70 P C 1.039 178.324 177.300 -0.025 0.000 1.157 70 P CA 1.430 64.521 63.100 -0.015 0.000 0.880 70 P CB 0.183 31.883 31.700 -0.001 0.000 0.791 71 G N -1.902 106.901 108.800 0.005 0.000 2.539 71 G HA2 0.010 3.970 3.960 0.000 0.000 0.215 71 G HA3 0.010 3.970 3.960 0.000 0.000 0.215 71 G C 0.404 175.306 174.900 0.002 0.000 1.141 71 G CA 0.187 45.308 45.100 0.035 0.000 0.806 71 G HN 0.451 nan 8.290 nan 0.000 0.533 72 Q N -1.364 118.435 119.800 -0.002 0.000 2.534 72 Q HA 0.636 4.976 4.340 0.000 0.000 0.290 72 Q C -2.045 173.949 176.000 -0.010 0.000 0.991 72 Q CA -0.969 54.841 55.803 0.011 0.000 0.783 72 Q CB 2.214 31.002 28.738 0.084 0.000 1.470 72 Q HN -0.112 nan 8.270 nan 0.000 0.406 73 V N 0.932 120.843 119.914 -0.005 0.000 2.384 73 V HA 0.616 4.736 4.120 0.000 0.000 0.287 73 V C 0.226 176.329 176.094 0.014 0.000 1.020 73 V CA -0.321 61.974 62.300 -0.008 0.000 0.850 73 V CB 1.473 33.278 31.823 -0.030 0.000 0.987 73 V HN 0.842 nan 8.190 nan 0.000 0.436 74 G N 5.512 114.319 108.800 0.011 0.000 2.349 74 G HA2 0.598 4.558 3.960 0.000 0.000 0.281 74 G HA3 0.598 4.558 3.960 0.000 0.000 0.281 74 G C -0.626 174.282 174.900 0.012 0.000 1.182 74 G CA -0.181 44.928 45.100 0.015 0.000 0.899 74 G HN 0.628 nan 8.290 nan 0.000 0.455 75 I N 2.971 123.559 120.570 0.030 0.000 2.418 75 I HA 0.196 4.366 4.170 0.000 0.000 0.287 75 I C 0.185 176.303 176.117 0.002 0.000 1.008 75 I CA -1.106 60.212 61.300 0.031 0.000 1.104 75 I CB 2.235 40.299 38.000 0.106 0.000 1.264 75 I HN 0.370 nan 8.210 nan 0.000 0.438 76 V N 5.534 125.409 119.914 -0.066 0.000 2.530 76 V HA 0.474 4.594 4.120 0.000 0.000 0.282 76 V C 0.008 175.952 176.094 -0.249 0.000 1.048 76 V CA -0.617 61.611 62.300 -0.119 0.000 0.997 76 V CB 0.759 32.523 31.823 -0.100 0.000 0.987 76 V HN 0.488 nan 8.190 nan 0.000 0.477 77 L N 3.591 124.695 121.223 -0.198 0.000 2.379 77 L HA 0.475 4.815 4.340 0.000 0.000 0.269 77 L C 0.575 177.324 176.870 -0.202 0.000 1.084 77 L CA -0.380 54.321 54.840 -0.233 0.000 0.802 77 L CB 0.661 42.613 42.059 -0.178 0.000 1.175 77 L HN 0.544 nan 8.230 nan 0.000 0.448 78 F N -0.023 119.973 119.950 0.076 0.000 2.749 78 F HA 0.306 4.833 4.527 -0.000 0.000 0.300 78 F C 1.251 177.077 175.800 0.043 0.000 1.103 78 F CA -0.423 57.619 58.000 0.071 0.000 1.342 78 F CB -0.011 39.041 39.000 0.087 0.000 1.098 78 F HN 0.481 nan 8.300 nan 0.000 0.586 79 G N -1.140 107.749 108.800 0.148 0.000 2.816 79 G HA2 0.375 4.335 3.960 0.000 0.000 0.288 79 G HA3 0.375 4.335 3.960 0.000 0.000 0.288 79 G C -0.903 174.003 174.900 0.010 0.000 1.334 79 G CA -0.725 44.422 45.100 0.079 0.000 0.978 79 G HN -0.115 nan 8.290 nan 0.000 0.493 80 S N -0.367 115.334 115.700 0.001 0.000 2.546 80 S HA 0.071 4.541 4.470 0.000 0.000 0.290 80 S C 1.356 175.918 174.600 -0.063 0.000 1.290 80 S CA 0.231 58.418 58.200 -0.021 0.000 1.069 80 S CB 0.399 63.592 63.200 -0.012 0.000 0.846 80 S HN 0.546 nan 8.310 nan 0.000 0.495 81 D N 4.388 124.745 120.400 -0.072 0.000 2.350 81 D HA -0.158 4.482 4.640 0.000 0.000 0.216 81 D C 1.653 177.895 176.300 -0.095 0.000 0.968 81 D CA 0.491 54.426 54.000 -0.109 0.000 0.894 81 D CB -0.300 40.444 40.800 -0.094 0.000 0.909 81 D HN 0.693 nan 8.370 nan 0.000 0.520 82 R N 0.642 121.104 120.500 -0.064 0.000 2.117 82 R HA -0.103 4.237 4.340 0.000 0.000 0.243 82 R C 1.780 178.045 176.300 -0.058 0.000 1.143 82 R CA 0.983 57.054 56.100 -0.049 0.000 0.968 82 R CB -0.399 29.883 30.300 -0.030 0.000 0.863 82 R HN 0.228 nan 8.270 nan 0.000 0.444 83 L N 0.536 121.714 121.223 -0.075 0.000 2.552 83 L HA 0.074 4.414 4.340 0.000 0.000 0.227 83 L C -0.196 176.610 176.870 -0.108 0.000 1.146 83 L CA 0.026 54.822 54.840 -0.073 0.000 0.858 83 L CB 0.538 42.559 42.059 -0.065 0.000 0.969 83 L HN -0.030 nan 8.230 nan 0.000 0.451 84 V N -0.457 119.362 119.914 -0.158 0.000 2.555 84 V HA 0.376 4.496 4.120 0.000 0.000 0.302 84 V C -0.183 175.857 176.094 -0.090 0.000 1.038 84 V CA -0.954 61.238 62.300 -0.181 0.000 0.887 84 V CB 1.883 33.454 31.823 -0.421 0.000 0.991 84 V HN 0.057 nan 8.190 nan 0.000 0.434 85 K N 1.849 122.229 120.400 -0.034 0.000 2.340 85 K HA 0.463 4.783 4.320 0.000 0.000 0.244 85 K C -0.400 176.208 176.600 0.013 0.000 0.973 85 K CA -0.866 55.414 56.287 -0.012 0.000 0.828 85 K CB 2.580 35.078 32.500 -0.003 0.000 1.226 85 K HN 0.791 nan 8.250 nan 0.000 0.437 86 E N 0.411 120.617 120.200 0.010 0.000 2.502 86 E HA -0.083 4.267 4.350 0.000 0.000 0.261 86 E C 0.528 177.145 176.600 0.028 0.000 0.974 86 E CA 1.444 57.856 56.400 0.021 0.000 0.936 86 E CB 0.191 29.896 29.700 0.008 0.000 0.926 86 E HN 0.792 nan 8.360 nan 0.000 0.459 87 G N 3.714 112.539 108.800 0.041 0.000 2.225 87 G HA2 -0.319 3.641 3.960 0.000 0.000 0.254 87 G HA3 -0.319 3.641 3.960 0.000 0.000 0.254 87 G C 0.265 175.199 174.900 0.057 0.000 0.988 87 G CA 0.372 45.495 45.100 0.038 0.000 0.625 87 G HN 0.634 nan 8.290 nan 0.000 0.527 88 E N 0.034 120.280 120.200 0.076 0.000 2.415 88 E HA 0.375 4.725 4.350 0.000 0.000 0.262 88 E C 0.594 177.260 176.600 0.110 0.000 1.038 88 E CA -0.485 55.972 56.400 0.095 0.000 0.921 88 E CB 0.536 30.307 29.700 0.119 0.000 0.950 88 E HN 0.441 nan 8.360 nan 0.000 0.438 89 L N 4.054 125.329 121.223 0.087 0.000 2.367 89 L HA 0.205 4.545 4.340 0.000 0.000 0.275 89 L C -1.194 175.701 176.870 0.042 0.000 1.129 89 L CA -0.067 54.808 54.840 0.059 0.000 0.839 89 L CB 0.872 42.955 42.059 0.041 0.000 1.133 89 L HN 0.177 nan 8.230 nan 0.000 0.453 90 V N 4.537 124.431 119.914 -0.032 0.000 2.588 90 V HA 0.549 4.669 4.120 0.000 0.000 0.304 90 V C -0.445 175.552 176.094 -0.162 0.000 1.042 90 V CA -0.874 61.310 62.300 -0.194 0.000 0.877 90 V CB 1.667 33.254 31.823 -0.393 0.000 0.996 90 V HN 0.767 nan 8.190 nan 0.000 0.425 91 K N 3.330 123.627 120.400 -0.172 0.000 2.259 91 K HA 0.686 5.006 4.320 0.000 0.000 0.252 91 K C -0.388 176.141 176.600 -0.118 0.000 0.936 91 K CA -0.852 55.371 56.287 -0.107 0.000 0.810 91 K CB 2.292 34.757 32.500 -0.058 0.000 1.143 91 K HN 0.513 nan 8.250 nan 0.000 0.427 92 R N 0.197 120.648 120.500 -0.082 0.000 2.774 92 R HA 0.034 4.374 4.340 0.000 0.000 0.269 92 R C 1.087 177.365 176.300 -0.037 0.000 1.068 92 R CA 0.413 56.475 56.100 -0.063 0.000 1.180 92 R CB 0.379 30.651 30.300 -0.046 0.000 1.077 92 R HN 0.904 nan 8.270 nan 0.000 0.513 93 T N -2.912 111.630 114.554 -0.020 0.000 2.990 93 T HA 0.163 4.513 4.350 0.000 0.000 0.249 93 T C 1.416 176.116 174.700 0.001 0.000 1.039 93 T CA 0.394 62.493 62.100 -0.000 0.000 1.036 93 T CB 0.514 69.394 68.868 0.020 0.000 0.994 93 T HN 0.803 nan 8.240 nan 0.000 0.489 94 G N 1.858 110.656 108.800 -0.004 0.000 2.212 94 G HA2 -0.255 3.705 3.960 0.000 0.000 0.266 94 G HA3 -0.255 3.705 3.960 0.000 0.000 0.266 94 G C -0.052 174.852 174.900 0.007 0.000 0.978 94 G CA 0.098 45.197 45.100 -0.002 0.000 0.632 94 G HN 0.629 nan 8.290 nan 0.000 0.537 95 N N 0.879 119.588 118.700 0.015 0.000 2.426 95 N HA 0.499 5.239 4.740 0.000 0.000 0.257 95 N C 0.662 176.192 175.510 0.033 0.000 1.002 95 N CA -0.347 52.716 53.050 0.023 0.000 0.942 95 N CB 0.714 39.217 38.487 0.028 0.000 1.112 95 N HN 0.373 nan 8.380 nan 0.000 0.499 96 I N 1.683 122.270 120.570 0.028 0.000 2.618 96 I HA -0.012 4.158 4.170 0.000 0.000 0.284 96 I C 0.487 176.631 176.117 0.045 0.000 1.146 96 I CA -0.695 60.626 61.300 0.035 0.000 1.425 96 I CB 0.438 38.451 38.000 0.022 0.000 1.383 96 I HN 0.101 nan 8.210 nan 0.000 0.562 97 V N 6.391 126.346 119.914 0.069 0.000 2.798 97 V HA -0.176 3.944 4.120 0.000 0.000 0.295 97 V C 0.297 176.417 176.094 0.044 0.000 1.066 97 V CA 0.787 63.135 62.300 0.079 0.000 1.244 97 V CB -1.291 30.599 31.823 0.111 0.000 0.829 97 V HN 0.907 nan 8.190 nan 0.000 0.464 98 D N 4.090 124.510 120.400 0.034 0.000 2.579 98 D HA 0.685 5.325 4.640 0.000 0.000 0.257 98 D C -1.204 175.103 176.300 0.011 0.000 1.176 98 D CA -0.696 53.316 54.000 0.021 0.000 0.914 98 D CB 2.431 43.242 40.800 0.018 0.000 1.431 98 D HN 0.382 nan 8.370 nan 0.000 0.454 99 V N 0.058 119.977 119.914 0.009 0.000 2.851 99 V HA 0.516 4.636 4.120 0.000 0.000 0.307 99 V C -2.815 173.274 176.094 -0.009 0.000 1.129 99 V CA -1.909 60.390 62.300 -0.001 0.000 0.932 99 V CB 2.490 34.316 31.823 0.005 0.000 1.024 99 V HN 0.545 nan 8.190 nan 0.000 0.426 100 P HA 0.236 nan 4.420 nan 0.000 0.271 100 P C -0.724 176.535 177.300 -0.068 0.000 1.220 100 P CA 0.309 63.381 63.100 -0.048 0.000 0.768 100 P CB 1.132 32.798 31.700 -0.056 0.000 0.848 101 V N 0.447 120.300 119.914 -0.102 0.000 2.769 101 V HA 1.035 5.155 4.120 0.000 0.000 0.312 101 V C 0.096 175.943 176.094 -0.410 0.000 1.061 101 V CA -0.489 61.712 62.300 -0.165 0.000 0.931 101 V CB 1.490 33.286 31.823 -0.045 0.000 1.010 101 V HN 0.929 nan 8.190 nan 0.000 0.433 102 G N 2.786 111.187 108.800 -0.664 0.000 2.321 102 G HA2 0.432 4.392 3.960 0.000 0.000 0.298 102 G HA3 0.432 4.392 3.960 0.000 0.000 0.298 102 G C -2.790 171.462 174.900 -1.079 0.000 1.385 102 G CA 0.097 44.486 45.100 -1.184 0.000 0.856 102 G HN 0.530 nan 8.290 nan 0.000 0.584 103 P HA 0.027 nan 4.420 nan 0.000 0.223 103 P C 1.787 178.904 177.300 -0.305 0.000 1.151 103 P CA 1.512 64.243 63.100 -0.615 0.000 0.787 103 P CB 0.014 31.406 31.700 -0.513 0.000 0.788 104 G N -0.050 108.555 108.800 -0.324 0.000 2.559 104 G HA2 -0.139 3.821 3.960 0.000 0.000 0.216 104 G HA3 -0.139 3.821 3.960 0.000 0.000 0.216 104 G C 1.337 176.158 174.900 -0.131 0.000 1.126 104 G CA 0.161 45.148 45.100 -0.188 0.000 0.778 104 G HN 0.205 nan 8.290 nan 0.000 0.543 105 L N 0.068 121.208 121.223 -0.137 0.000 2.418 105 L HA 0.299 4.639 4.340 0.000 0.000 0.218 105 L C 1.296 178.159 176.870 -0.012 0.000 1.125 105 L CA 0.061 54.863 54.840 -0.064 0.000 0.835 105 L CB -0.154 41.873 42.059 -0.052 0.000 0.953 105 L HN 0.093 nan 8.230 nan 0.000 0.454 106 L N -0.019 121.205 121.223 0.002 0.000 2.514 106 L HA 0.143 4.483 4.340 0.000 0.000 0.280 106 L C 1.468 178.341 176.870 0.005 0.000 1.223 106 L CA 0.806 55.664 54.840 0.029 0.000 0.864 106 L CB -0.121 41.961 42.059 0.038 0.000 1.118 106 L HN 0.393 nan 8.230 nan 0.000 0.494 107 G N 1.499 110.300 108.800 0.001 0.000 2.148 107 G HA2 -0.215 3.745 3.960 0.000 0.000 0.254 107 G HA3 -0.215 3.745 3.960 0.000 0.000 0.254 107 G C 0.170 175.060 174.900 -0.017 0.000 0.981 107 G CA -0.285 44.806 45.100 -0.016 0.000 0.670 107 G HN 0.473 nan 8.290 nan 0.000 0.528 108 R N -0.717 119.777 120.500 -0.010 0.000 2.854 108 R HA 0.727 5.067 4.340 0.000 0.000 0.271 108 R C -0.485 175.815 176.300 -0.001 0.000 0.996 108 R CA -0.865 55.229 56.100 -0.010 0.000 0.961 108 R CB 1.727 32.019 30.300 -0.014 0.000 1.182 108 R HN 0.236 nan 8.270 nan 0.000 0.479 109 V N 2.242 122.155 119.914 -0.001 0.000 2.357 109 V HA 0.381 4.501 4.120 0.000 0.000 0.284 109 V C 0.349 176.446 176.094 0.004 0.000 1.018 109 V CA -0.751 61.554 62.300 0.009 0.000 0.841 109 V CB 1.343 33.172 31.823 0.010 0.000 0.991 109 V HN 0.607 nan 8.190 nan 0.000 0.437 110 V N 1.476 121.394 119.914 0.006 0.000 3.103 110 V HA 0.851 4.971 4.120 0.000 0.000 0.318 110 V C -0.308 175.785 176.094 -0.002 0.000 1.114 110 V CA -0.814 61.484 62.300 -0.002 0.000 1.020 110 V CB 2.084 33.902 31.823 -0.008 0.000 1.085 110 V HN 0.787 nan 8.190 nan 0.000 0.446 111 D N 0.972 121.363 120.400 -0.014 0.000 2.511 111 D HA 0.537 5.177 4.640 0.000 0.000 0.276 111 D C 1.268 177.548 176.300 -0.034 0.000 1.220 111 D CA -0.053 53.935 54.000 -0.021 0.000 1.077 111 D CB 0.815 41.596 40.800 -0.031 0.000 1.126 111 D HN 0.835 nan 8.370 nan 0.000 0.583 112 A N -0.845 121.946 122.820 -0.049 0.000 2.093 112 A HA -0.114 4.206 4.320 0.000 0.000 0.222 112 A C 1.865 179.404 177.584 -0.075 0.000 1.162 112 A CA 1.246 53.249 52.037 -0.057 0.000 0.655 112 A CB -0.830 18.127 19.000 -0.072 0.000 0.805 112 A HN 0.512 nan 8.150 nan 0.000 0.461 113 L N -1.690 119.474 121.223 -0.097 0.000 3.014 113 L HA 0.316 4.656 4.340 0.000 0.000 0.263 113 L C 1.300 178.138 176.870 -0.054 0.000 1.207 113 L CA 0.268 55.051 54.840 -0.094 0.000 1.017 113 L CB 0.241 42.205 42.059 -0.158 0.000 1.360 113 L HN 0.495 nan 8.230 nan 0.000 0.560 114 G N 0.392 109.169 108.800 -0.038 0.000 2.225 114 G HA2 -0.274 3.686 3.960 0.000 0.000 0.267 114 G HA3 -0.274 3.686 3.960 0.000 0.000 0.267 114 G C -0.021 174.861 174.900 -0.029 0.000 1.024 114 G CA -0.045 45.039 45.100 -0.027 0.000 0.784 114 G HN 0.426 nan 8.290 nan 0.000 0.507 115 N N 1.150 119.831 118.700 -0.032 0.000 2.455 115 N HA 0.424 5.164 4.740 0.000 0.000 0.280 115 N C -2.721 172.778 175.510 -0.019 0.000 1.055 115 N CA -1.336 51.698 53.050 -0.026 0.000 0.961 115 N CB 1.852 40.322 38.487 -0.028 0.000 1.121 115 N HN 0.096 nan 8.380 nan 0.000 0.476 116 P HA 0.195 nan 4.420 nan 0.000 0.280 116 P C 0.475 177.770 177.300 -0.008 0.000 1.300 116 P CA -0.235 62.858 63.100 -0.012 0.000 0.785 116 P CB -0.013 31.678 31.700 -0.015 0.000 0.874 117 I N 0.202 120.770 120.570 -0.004 0.000 3.889 117 I HA 0.217 4.387 4.170 0.000 0.000 0.332 117 I C 0.463 176.581 176.117 0.001 0.000 1.493 117 I CA -0.153 61.147 61.300 -0.000 0.000 1.158 117 I CB -0.196 37.805 38.000 0.003 0.000 1.117 117 I HN 0.030 nan 8.210 nan 0.000 0.411 118 D N 1.094 121.493 120.400 -0.002 0.000 2.367 118 D HA 0.095 4.735 4.640 0.000 0.000 0.207 118 D C 1.475 177.772 176.300 -0.005 0.000 1.034 118 D CA 0.531 54.529 54.000 -0.004 0.000 0.861 118 D CB 0.042 40.838 40.800 -0.007 0.000 0.943 118 D HN 0.403 nan 8.370 nan 0.000 0.515 119 G N 1.080 109.877 108.800 -0.005 0.000 2.289 119 G HA2 -0.297 3.663 3.960 0.000 0.000 0.280 119 G HA3 -0.297 3.663 3.960 0.000 0.000 0.280 119 G C 0.196 175.092 174.900 -0.007 0.000 1.089 119 G CA 0.148 45.245 45.100 -0.005 0.000 0.939 119 G HN 0.419 nan 8.290 nan 0.000 0.499 120 K N -0.062 120.332 120.400 -0.009 0.000 2.934 120 K HA 0.484 4.804 4.320 0.000 0.000 0.210 120 K C 1.386 177.979 176.600 -0.013 0.000 1.122 120 K CA 0.109 56.389 56.287 -0.011 0.000 1.033 120 K CB 0.585 33.078 32.500 -0.013 0.000 0.779 120 K HN 1.494 nan 8.250 nan 0.000 0.459 121 G N 2.288 111.082 108.800 -0.011 0.000 2.569 121 G HA2 -0.273 3.687 3.960 0.000 0.000 0.259 121 G HA3 -0.273 3.687 3.960 0.000 0.000 0.259 121 G C -2.442 172.449 174.900 -0.016 0.000 1.263 121 G CA -0.928 44.164 45.100 -0.012 0.000 0.928 121 G HN 0.198 nan 8.290 nan 0.000 0.572 122 P HA 0.501 nan 4.420 nan 0.000 0.272 122 P C 0.085 177.367 177.300 -0.030 0.000 1.240 122 P CA -0.459 62.627 63.100 -0.023 0.000 0.791 122 P CB 0.418 32.104 31.700 -0.023 0.000 0.978 123 I N 1.435 121.983 120.570 -0.037 0.000 2.359 123 I HA 0.143 4.313 4.170 0.000 0.000 0.294 123 I C 0.120 176.199 176.117 -0.063 0.000 0.987 123 I CA -0.270 61.000 61.300 -0.049 0.000 1.225 123 I CB 0.921 38.891 38.000 -0.050 0.000 1.366 123 I HN 0.222 nan 8.210 nan 0.000 0.466 124 D N 5.568 125.920 120.400 -0.079 0.000 2.517 124 D HA 0.329 4.969 4.640 0.000 0.000 0.220 124 D C 0.398 176.614 176.300 -0.140 0.000 1.158 124 D CA 0.086 54.029 54.000 -0.096 0.000 0.992 124 D CB 0.469 41.213 40.800 -0.094 0.000 1.058 124 D HN 0.581 nan 8.370 nan 0.000 0.516 125 A N 1.489 124.234 122.820 -0.126 0.000 2.440 125 A HA 0.469 4.789 4.320 0.000 0.000 0.251 125 A C 1.316 178.792 177.584 -0.180 0.000 1.089 125 A CA -0.039 51.903 52.037 -0.159 0.000 0.779 125 A CB 0.761 19.696 19.000 -0.108 0.000 1.022 125 A HN 0.504 nan 8.150 nan 0.000 0.492 126 A N 1.914 124.570 122.820 -0.274 0.000 2.208 126 A HA 0.519 4.839 4.320 0.000 0.000 0.209 126 A C 1.155 178.674 177.584 -0.108 0.000 1.161 126 A CA 1.302 53.201 52.037 -0.230 0.000 0.782 126 A CB -0.503 18.243 19.000 -0.424 0.000 0.816 126 A HN 2.363 nan 8.150 nan 0.000 0.477 127 G N -1.194 107.544 108.800 -0.104 0.000 2.333 127 G HA2 0.426 4.386 3.960 0.000 0.000 0.288 127 G HA3 0.426 4.386 3.960 0.000 0.000 0.288 127 G C -1.456 173.422 174.900 -0.036 0.000 1.286 127 G CA -1.067 44.009 45.100 -0.039 0.000 0.865 127 G HN 0.249 nan 8.290 nan 0.000 0.506 128 R N -0.445 120.052 120.500 -0.006 0.000 2.686 128 R HA 0.774 5.114 4.340 0.000 0.000 0.286 128 R C -0.983 175.327 176.300 0.018 0.000 0.969 128 R CA -0.702 55.397 56.100 -0.002 0.000 0.898 128 R CB 2.212 32.511 30.300 -0.003 0.000 1.183 128 R HN 0.425 nan 8.270 nan 0.000 0.456 129 S N 1.060 116.773 115.700 0.022 0.000 2.536 129 S HA 0.457 4.927 4.470 0.000 0.000 0.298 129 S C -0.276 174.340 174.600 0.027 0.000 1.083 129 S CA -0.793 57.428 58.200 0.033 0.000 0.995 129 S CB 1.662 64.894 63.200 0.052 0.000 1.058 129 S HN 0.371 nan 8.310 nan 0.000 0.488 130 R N 0.681 121.195 120.500 0.023 0.000 2.774 130 R HA 0.284 4.624 4.340 0.000 0.000 0.269 130 R C 1.316 177.626 176.300 0.016 0.000 1.068 130 R CA 0.169 56.278 56.100 0.014 0.000 1.180 130 R CB 0.173 30.474 30.300 0.003 0.000 1.077 130 R HN 0.745 nan 8.270 nan 0.000 0.513 131 A N 1.647 124.469 122.820 0.003 0.000 1.872 131 A HA -0.081 4.239 4.320 0.000 0.000 0.214 131 A C 0.440 177.988 177.584 -0.060 0.000 1.187 131 A CA 1.068 53.106 52.037 0.001 0.000 0.614 131 A CB 0.070 19.063 19.000 -0.012 0.000 0.826 131 A HN 0.518 nan 8.150 nan 0.000 0.442 132 Q N 0.149 119.871 119.800 -0.131 0.000 2.278 132 Q HA 0.549 4.889 4.340 0.000 0.000 0.257 132 Q C -1.274 174.678 176.000 -0.081 0.000 0.928 132 Q CA -0.114 55.573 55.803 -0.194 0.000 0.932 132 Q CB 1.664 30.257 28.738 -0.243 0.000 1.221 132 Q HN 0.161 nan 8.270 nan 0.000 0.434 133 V N 2.469 122.352 119.914 -0.051 0.000 2.686 133 V HA 0.270 4.390 4.120 0.000 0.000 0.306 133 V C 0.040 176.131 176.094 -0.005 0.000 1.065 133 V CA -1.161 61.133 62.300 -0.011 0.000 0.894 133 V CB 2.278 34.112 31.823 0.019 0.000 1.004 133 V HN 0.557 nan 8.190 nan 0.000 0.424 134 K N 2.800 123.202 120.400 0.003 0.000 2.484 134 K HA 0.343 4.663 4.320 0.000 0.000 0.280 134 K C 0.399 177.012 176.600 0.022 0.000 1.013 134 K CA 0.190 56.486 56.287 0.015 0.000 1.029 134 K CB 1.134 33.645 32.500 0.018 0.000 0.902 134 K HN 0.912 nan 8.250 nan 0.000 0.481 135 A N 5.968 128.806 122.820 0.029 0.000 2.407 135 A HA 0.300 4.620 4.320 0.000 0.000 0.248 135 A C -2.041 175.560 177.584 0.030 0.000 1.082 135 A CA -1.180 50.876 52.037 0.032 0.000 0.785 135 A CB -0.293 18.727 19.000 0.035 0.000 1.020 135 A HN 0.408 nan 8.150 nan 0.000 0.489 136 P HA 0.188 nan 4.420 nan 0.000 0.263 136 P C 0.761 178.076 177.300 0.024 0.000 1.195 136 P CA 0.642 63.756 63.100 0.023 0.000 0.762 136 P CB 0.553 32.267 31.700 0.022 0.000 0.799 137 G N 2.753 111.566 108.800 0.022 0.000 2.479 137 G HA2 0.005 3.965 3.960 0.000 0.000 0.275 137 G HA3 0.005 3.965 3.960 0.000 0.000 0.275 137 G C 1.128 176.041 174.900 0.021 0.000 1.421 137 G CA -0.499 44.615 45.100 0.023 0.000 1.059 137 G HN 0.371 nan 8.290 nan 0.000 0.535 138 I N -0.714 119.868 120.570 0.020 0.000 2.361 138 I HA -0.088 4.082 4.170 0.000 0.000 0.251 138 I C 2.608 178.735 176.117 0.016 0.000 1.133 138 I CA 0.980 62.291 61.300 0.019 0.000 1.413 138 I CB -0.893 37.118 38.000 0.017 0.000 1.073 138 I HN 0.258 nan 8.210 nan 0.000 0.424 139 L N 1.810 123.041 121.223 0.014 0.000 2.084 139 L HA 0.045 4.385 4.340 0.000 0.000 0.202 139 L C -0.822 176.055 176.870 0.012 0.000 1.074 139 L CA 1.512 56.359 54.840 0.012 0.000 0.757 139 L CB -1.502 40.563 42.059 0.009 0.000 0.918 139 L HN 0.074 nan 8.230 nan 0.000 0.444 140 P HA -0.014 nan 4.420 nan 0.000 0.271 140 P C -0.453 176.856 177.300 0.016 0.000 1.535 140 P CA 0.549 63.656 63.100 0.011 0.000 0.820 140 P CB -0.196 31.510 31.700 0.009 0.000 1.606 141 R N -0.144 120.367 120.500 0.018 0.000 2.888 141 R HA 0.651 4.991 4.340 0.000 0.000 0.266 141 R C -0.068 176.248 176.300 0.026 0.000 1.020 141 R CA -0.865 55.248 56.100 0.022 0.000 0.963 141 R CB 2.292 32.605 30.300 0.022 0.000 1.197 141 R HN -0.097 nan 8.270 nan 0.000 0.481 142 R N 0.563 121.083 120.500 0.034 0.000 2.584 142 R HA 0.242 4.582 4.340 0.000 0.000 0.276 142 R C -1.246 175.089 176.300 0.058 0.000 1.046 142 R CA -0.453 55.676 56.100 0.047 0.000 0.906 142 R CB 2.247 32.587 30.300 0.067 0.000 1.215 142 R HN 0.761 nan 8.270 nan 0.000 0.449 143 S N 1.974 117.710 115.700 0.060 0.000 2.626 143 S HA -0.026 4.444 4.470 0.000 0.000 0.303 143 S C 0.471 175.131 174.600 0.099 0.000 1.256 143 S CA -0.160 58.077 58.200 0.062 0.000 1.069 143 S CB 0.243 63.473 63.200 0.050 0.000 0.807 143 S HN 0.331 nan 8.310 nan 0.000 0.500 144 V N 5.815 125.752 119.914 0.038 0.000 2.539 144 V HA -0.021 4.099 4.120 0.000 0.000 0.300 144 V C 1.505 177.616 176.094 0.027 0.000 1.019 144 V CA 0.684 62.973 62.300 -0.018 0.000 1.160 144 V CB -0.411 31.387 31.823 -0.042 0.000 0.901 144 V HN 1.082 nan 8.190 nan 0.000 0.481 145 H N 1.853 120.885 119.070 -0.063 0.000 3.540 145 H HA 0.393 4.949 4.556 -0.000 0.000 0.259 145 H C -0.037 175.241 175.328 -0.084 0.000 1.197 145 H CA -0.477 55.534 56.048 -0.061 0.000 1.136 145 H CB 0.755 30.489 29.762 -0.048 0.000 1.605 145 H HN 0.618 nan 8.280 nan 0.000 0.657 146 E N 2.940 122.894 120.200 -0.410 0.000 2.176 146 E HA 0.353 4.703 4.350 0.000 0.000 0.267 146 E C -2.825 173.613 176.600 -0.269 0.000 0.893 146 E CA -2.184 53.993 56.400 -0.372 0.000 0.761 146 E CB 2.341 31.718 29.700 -0.537 0.000 1.133 146 E HN 0.154 nan 8.360 nan 0.000 0.409 147 P HA -0.036 nan 4.420 nan 0.000 0.264 147 P C -0.858 176.285 177.300 -0.262 0.000 1.193 147 P CA 0.002 62.988 63.100 -0.189 0.000 0.763 147 P CB 0.532 32.144 31.700 -0.148 0.000 0.810 148 V N 5.521 125.307 119.914 -0.213 0.000 2.288 148 V HA 0.132 4.252 4.120 0.000 0.000 0.266 148 V C 0.429 176.432 176.094 -0.152 0.000 1.048 148 V CA -0.236 61.929 62.300 -0.224 0.000 0.842 148 V CB 0.235 31.954 31.823 -0.173 0.000 1.064 148 V HN 0.487 nan 8.190 nan 0.000 0.472 149 Q N 2.240 121.939 119.800 -0.169 0.000 2.296 149 Q HA 0.142 4.482 4.340 0.000 0.000 0.263 149 Q C 1.483 177.502 176.000 0.032 0.000 1.026 149 Q CA 0.220 56.002 55.803 -0.034 0.000 0.912 149 Q CB 1.160 29.931 28.738 0.054 0.000 1.198 149 Q HN 0.919 nan 8.270 nan 0.000 0.407 150 T N -0.754 113.815 114.554 0.024 0.000 2.857 150 T HA 0.025 4.375 4.350 0.000 0.000 0.266 150 T C 1.434 176.168 174.700 0.057 0.000 1.048 150 T CA 0.688 62.808 62.100 0.033 0.000 1.139 150 T CB -0.094 68.780 68.868 0.010 0.000 0.874 150 T HN 0.890 nan 8.240 nan 0.000 0.455 151 G N 1.080 109.916 108.800 0.060 0.000 2.175 151 G HA2 -0.178 3.782 3.960 0.000 0.000 0.244 151 G HA3 -0.178 3.782 3.960 0.000 0.000 0.244 151 G C -0.076 174.839 174.900 0.025 0.000 0.982 151 G CA 0.085 45.217 45.100 0.054 0.000 0.641 151 G HN 0.650 nan 8.290 nan 0.000 0.527 152 L N 1.330 122.562 121.223 0.014 0.000 2.255 152 L HA 0.358 4.698 4.340 0.000 0.000 0.289 152 L C 1.852 178.724 176.870 0.004 0.000 1.046 152 L CA -0.544 54.295 54.840 -0.002 0.000 0.816 152 L CB 1.143 43.191 42.059 -0.017 0.000 1.197 152 L HN 0.293 nan 8.230 nan 0.000 0.427 153 K N 2.205 122.609 120.400 0.006 0.000 2.160 153 K HA -0.201 4.119 4.320 0.000 0.000 0.206 153 K C 1.700 178.308 176.600 0.013 0.000 1.047 153 K CA 1.453 57.748 56.287 0.014 0.000 0.930 153 K CB -0.235 32.276 32.500 0.019 0.000 0.720 153 K HN 0.657 nan 8.250 nan 0.000 0.450 154 A N 1.741 124.563 122.820 0.003 0.000 1.897 154 A HA -0.039 4.281 4.320 0.000 0.000 0.215 154 A C 2.468 180.058 177.584 0.009 0.000 1.181 154 A CA 1.219 53.259 52.037 0.005 0.000 0.620 154 A CB -0.578 18.418 19.000 -0.006 0.000 0.821 154 A HN 0.112 nan 8.150 nan 0.000 0.443 155 V N 0.712 120.628 119.914 0.003 0.000 2.270 155 V HA -0.216 3.904 4.120 0.000 0.000 0.245 155 V C 2.065 178.164 176.094 0.008 0.000 1.043 155 V CA 2.283 64.586 62.300 0.005 0.000 1.014 155 V CB -0.849 30.974 31.823 -0.001 0.000 0.645 155 V HN 0.463 nan 8.190 nan 0.000 0.447 156 D N 0.208 120.614 120.400 0.009 0.000 2.264 156 D HA -0.049 4.591 4.640 0.000 0.000 0.208 156 D C 1.986 178.296 176.300 0.016 0.000 0.966 156 D CA 1.458 55.464 54.000 0.011 0.000 0.864 156 D CB -0.087 40.723 40.800 0.017 0.000 0.933 156 D HN 0.472 nan 8.370 nan 0.000 0.499 157 A N -0.537 122.296 122.820 0.022 0.000 1.997 157 A HA 0.151 4.471 4.320 0.000 0.000 0.212 157 A C 2.083 179.685 177.584 0.029 0.000 1.178 157 A CA 0.286 52.340 52.037 0.029 0.000 0.698 157 A CB 0.030 19.051 19.000 0.035 0.000 0.842 157 A HN 0.148 nan 8.150 nan 0.000 0.458 158 L N -0.759 120.479 121.223 0.026 0.000 2.433 158 L HA 0.128 4.468 4.340 0.000 0.000 0.200 158 L C 0.526 177.411 176.870 0.024 0.000 1.059 158 L CA 0.686 55.544 54.840 0.030 0.000 0.835 158 L CB 0.394 42.473 42.059 0.034 0.000 1.076 158 L HN 0.239 nan 8.230 nan 0.000 0.481 159 V N -2.064 117.862 119.914 0.019 0.000 2.454 159 V HA 0.393 4.513 4.120 0.000 0.000 0.255 159 V C -2.616 173.481 176.094 0.005 0.000 1.009 159 V CA -1.769 60.540 62.300 0.015 0.000 1.149 159 V CB -0.212 31.623 31.823 0.020 0.000 1.418 159 V HN -0.035 nan 8.190 nan 0.000 0.567 160 P HA 0.382 nan 4.420 nan 0.000 0.269 160 P C -0.209 177.079 177.300 -0.020 0.000 1.209 160 P CA 0.236 63.330 63.100 -0.010 0.000 0.776 160 P CB 1.841 33.536 31.700 -0.009 0.000 0.876 161 I N 0.773 121.322 120.570 -0.035 0.000 2.822 161 I HA 0.668 4.838 4.170 0.000 0.000 0.312 161 I C 0.916 176.988 176.117 -0.076 0.000 1.011 161 I CA -0.558 60.713 61.300 -0.047 0.000 1.105 161 I CB 2.100 40.073 38.000 -0.046 0.000 1.291 161 I HN 0.409 nan 8.210 nan 0.000 0.474 162 G N 1.798 110.546 108.800 -0.086 0.000 2.619 162 G HA2 0.453 4.413 3.960 0.000 0.000 0.296 162 G HA3 0.453 4.413 3.960 0.000 0.000 0.296 162 G C -1.094 173.716 174.900 -0.151 0.000 1.334 162 G CA -0.888 44.134 45.100 -0.129 0.000 0.934 162 G HN 0.457 nan 8.290 nan 0.000 0.476 163 R N 0.509 120.873 120.500 -0.227 0.000 2.507 163 R HA 0.296 4.636 4.340 0.000 0.000 0.341 163 R C 1.252 177.456 176.300 -0.161 0.000 0.960 163 R CA 1.173 57.125 56.100 -0.246 0.000 1.032 163 R CB 0.109 30.146 30.300 -0.437 0.000 0.933 163 R HN 1.406 nan 8.270 nan 0.000 0.418 164 G N 1.885 110.631 108.800 -0.090 0.000 2.218 164 G HA2 -0.276 3.684 3.960 0.000 0.000 0.216 164 G HA3 -0.276 3.684 3.960 0.000 0.000 0.216 164 G C 0.251 175.135 174.900 -0.027 0.000 0.994 164 G CA -0.098 44.977 45.100 -0.042 0.000 0.637 164 G HN 0.576 nan 8.290 nan 0.000 0.505 165 Q N 0.152 119.929 119.800 -0.040 0.000 2.443 165 Q HA 0.617 4.957 4.340 0.000 0.000 0.232 165 Q C -0.096 175.899 176.000 -0.009 0.000 1.026 165 Q CA -0.167 55.622 55.803 -0.024 0.000 0.924 165 Q CB 0.341 29.059 28.738 -0.033 0.000 1.256 165 Q HN 0.322 nan 8.270 nan 0.000 0.519 166 R N 1.958 122.458 120.500 -0.000 0.000 2.388 166 R HA 0.294 4.634 4.340 0.000 0.000 0.314 166 R C -1.477 174.826 176.300 0.004 0.000 0.959 166 R CA -0.523 55.582 56.100 0.008 0.000 0.851 166 R CB 1.595 31.901 30.300 0.009 0.000 1.168 166 R HN 0.417 nan 8.270 nan 0.000 0.472 167 E N 2.724 122.927 120.200 0.005 0.000 2.165 167 E HA 0.289 4.639 4.350 0.000 0.000 0.266 167 E C -1.367 175.239 176.600 0.010 0.000 0.889 167 E CA -0.953 55.451 56.400 0.006 0.000 0.756 167 E CB 0.997 30.698 29.700 0.001 0.000 1.131 167 E HN 0.366 nan 8.360 nan 0.000 0.411 168 L N 5.422 126.653 121.223 0.012 0.000 2.380 168 L HA 0.450 4.790 4.340 0.000 0.000 0.273 168 L C -0.923 175.963 176.870 0.026 0.000 1.138 168 L CA 0.174 55.021 54.840 0.012 0.000 0.832 168 L CB 0.502 42.567 42.059 0.010 0.000 1.124 168 L HN 0.641 nan 8.230 nan 0.000 0.454 169 I N 6.914 127.496 120.570 0.021 0.000 2.330 169 I HA 0.415 4.585 4.170 0.000 0.000 0.289 169 I C -0.323 175.811 176.117 0.029 0.000 1.001 169 I CA -0.041 61.273 61.300 0.023 0.000 1.193 169 I CB 1.158 39.166 38.000 0.014 0.000 1.345 169 I HN 0.553 nan 8.210 nan 0.000 0.461 170 I N 5.468 126.069 120.570 0.053 0.000 2.619 170 I HA 0.886 5.056 4.170 0.000 0.000 0.292 170 I C -0.307 175.819 176.117 0.016 0.000 1.100 170 I CA 0.035 61.390 61.300 0.090 0.000 1.043 170 I CB 1.860 39.967 38.000 0.178 0.000 1.239 170 I HN 0.701 nan 8.210 nan 0.000 0.420 171 G N 5.045 113.834 108.800 -0.019 0.000 2.322 171 G HA2 0.168 4.128 3.960 0.000 0.000 0.295 171 G HA3 0.168 4.128 3.960 0.000 0.000 0.295 171 G C -1.943 172.923 174.900 -0.058 0.000 1.369 171 G CA -0.767 44.216 45.100 -0.195 0.000 0.821 171 G HN 0.478 nan 8.290 nan 0.000 0.536 172 D N 0.277 120.632 120.400 -0.076 0.000 2.363 172 D HA 0.386 5.026 4.640 0.000 0.000 0.240 172 D C 1.334 177.623 176.300 -0.019 0.000 1.236 172 D CA -0.068 53.925 54.000 -0.010 0.000 0.927 172 D CB 0.536 41.337 40.800 0.002 0.000 1.150 172 D HN 0.702 nan 8.370 nan 0.000 0.458 173 R N 0.408 120.907 120.500 -0.001 0.000 2.817 173 R HA -0.026 4.314 4.340 0.000 0.000 0.264 173 R C -0.059 176.210 176.300 -0.050 0.000 1.009 173 R CA -0.211 55.882 56.100 -0.012 0.000 1.133 173 R CB -0.014 30.285 30.300 -0.002 0.000 1.013 173 R HN 0.125 nan 8.270 nan 0.000 0.453 174 Q N -0.572 119.185 119.800 -0.072 0.000 2.434 174 Q HA -0.171 4.169 4.340 0.000 0.000 0.299 174 Q C 0.159 175.986 176.000 -0.287 0.000 1.286 174 Q CA 1.836 57.533 55.803 -0.177 0.000 0.872 174 Q CB -2.064 26.546 28.738 -0.214 0.000 1.193 174 Q HN 1.001 nan 8.270 nan 0.000 0.466 175 T N -5.497 109.026 114.554 -0.052 0.000 3.040 175 T HA 0.453 4.803 4.350 0.000 0.000 0.266 175 T C 1.034 175.949 174.700 0.359 0.000 1.005 175 T CA 0.564 62.774 62.100 0.184 0.000 0.906 175 T CB 1.002 69.892 68.868 0.038 0.000 1.082 175 T HN 0.925 nan 8.240 nan 0.000 0.531 176 G N 2.137 111.092 108.800 0.259 0.000 2.248 176 G HA2 -0.243 3.717 3.960 0.000 0.000 0.252 176 G HA3 -0.243 3.717 3.960 0.000 0.000 0.252 176 G C 0.544 175.484 174.900 0.066 0.000 1.085 176 G CA 0.309 45.524 45.100 0.192 0.000 0.845 176 G HN 0.537 nan 8.290 nan 0.000 0.494 177 K N -0.838 119.591 120.400 0.048 0.000 2.044 177 K HA 0.004 4.324 4.320 0.000 0.000 0.204 177 K C 2.607 179.230 176.600 0.039 0.000 1.049 177 K CA 1.586 57.888 56.287 0.025 0.000 0.945 177 K CB -0.205 32.305 32.500 0.016 0.000 0.724 177 K HN 0.309 nan 8.250 nan 0.000 0.440 178 T N 1.557 116.146 114.554 0.059 0.000 2.708 178 T HA -0.143 4.207 4.350 0.000 0.000 0.266 178 T C 2.082 176.804 174.700 0.036 0.000 1.037 178 T CA 1.422 63.575 62.100 0.089 0.000 1.146 178 T CB -0.331 68.605 68.868 0.113 0.000 0.865 178 T HN 0.311 nan 8.240 nan 0.000 0.435 179 A N 1.004 123.824 122.820 0.000 0.000 1.948 179 A HA -0.107 4.213 4.320 0.000 0.000 0.220 179 A C 2.570 180.100 177.584 -0.091 0.000 1.177 179 A CA 1.597 53.587 52.037 -0.079 0.000 0.636 179 A CB -1.103 17.851 19.000 -0.076 0.000 0.815 179 A HN 0.369 nan 8.150 nan 0.000 0.449 180 V N -0.351 119.537 119.914 -0.043 0.000 2.244 180 V HA -0.227 3.893 4.120 0.000 0.000 0.244 180 V C 3.075 179.158 176.094 -0.019 0.000 1.042 180 V CA 1.947 64.224 62.300 -0.038 0.000 1.006 180 V CB -1.359 30.451 31.823 -0.022 0.000 0.641 180 V HN 0.625 nan 8.190 nan 0.000 0.446 181 A N -0.353 122.474 122.820 0.013 0.000 1.958 181 A HA -0.258 4.062 4.320 0.000 0.000 0.221 181 A C 2.170 179.774 177.584 0.032 0.000 1.178 181 A CA 2.377 54.440 52.037 0.043 0.000 0.642 181 A CB -0.626 18.435 19.000 0.101 0.000 0.816 181 A HN 0.452 nan 8.150 nan 0.000 0.453 182 L N 0.096 121.314 121.223 -0.007 0.000 2.005 182 L HA -0.117 4.223 4.340 0.000 0.000 0.207 182 L C 1.530 178.373 176.870 -0.046 0.000 1.072 182 L CA 2.589 57.398 54.840 -0.051 0.000 0.744 182 L CB -0.743 41.260 42.059 -0.094 0.000 0.895 182 L HN 0.345 nan 8.230 nan 0.000 0.433 183 D N -1.356 119.000 120.400 -0.073 0.000 2.309 183 D HA -0.131 4.509 4.640 0.000 0.000 0.212 183 D C 1.947 178.249 176.300 0.003 0.000 0.968 183 D CA 1.260 55.228 54.000 -0.054 0.000 0.882 183 D CB -0.036 40.710 40.800 -0.089 0.000 0.918 183 D HN 0.395 nan 8.370 nan 0.000 0.503 184 T N 0.064 114.625 114.554 0.013 0.000 2.770 184 T HA 0.011 4.361 4.350 0.000 0.000 0.258 184 T C 2.105 176.851 174.700 0.076 0.000 1.039 184 T CA 0.413 62.536 62.100 0.039 0.000 1.143 184 T CB -0.121 68.761 68.868 0.023 0.000 0.866 184 T HN 0.150 nan 8.240 nan 0.000 0.428 185 I N 1.060 121.678 120.570 0.080 0.000 2.361 185 I HA -0.120 4.050 4.170 0.000 0.000 0.251 185 I C 2.198 178.451 176.117 0.226 0.000 1.133 185 I CA 1.064 62.456 61.300 0.152 0.000 1.413 185 I CB -0.409 37.652 38.000 0.102 0.000 1.073 185 I HN 0.199 nan 8.210 nan 0.000 0.424 186 L N 0.297 121.594 121.223 0.123 0.000 2.141 186 L HA -0.214 4.126 4.340 0.000 0.000 0.209 186 L C 2.247 179.217 176.870 0.167 0.000 1.094 186 L CA 1.346 56.263 54.840 0.130 0.000 0.763 186 L CB -0.699 41.372 42.059 0.021 0.000 0.908 186 L HN 0.328 nan 8.230 nan 0.000 0.437 187 N N -0.237 118.544 118.700 0.135 0.000 2.188 187 N HA -0.189 4.551 4.740 0.000 0.000 0.184 187 N C 1.776 177.381 175.510 0.157 0.000 1.018 187 N CA 0.897 54.024 53.050 0.128 0.000 0.858 187 N CB 0.098 38.679 38.487 0.156 0.000 0.989 187 N HN 0.185 nan 8.380 nan 0.000 0.426 188 Q N 0.393 120.302 119.800 0.182 0.000 2.508 188 Q HA -0.086 4.254 4.340 0.000 0.000 0.214 188 Q C 1.416 177.303 176.000 -0.188 0.000 0.979 188 Q CA 0.529 56.403 55.803 0.118 0.000 0.911 188 Q CB -0.199 28.460 28.738 -0.132 0.000 0.969 188 Q HN 0.476 nan 8.270 nan 0.000 0.504 189 K N 0.927 121.275 120.400 -0.086 0.000 2.286 189 K HA -0.137 4.183 4.320 0.000 0.000 0.203 189 K C 1.740 178.221 176.600 -0.198 0.000 1.045 189 K CA 0.869 57.136 56.287 -0.034 0.000 0.935 189 K CB 0.125 32.700 32.500 0.124 0.000 0.737 189 K HN 0.153 nan 8.250 nan 0.000 0.460 190 R N -1.217 119.022 120.500 -0.434 0.000 2.189 190 R HA -0.073 4.267 4.340 0.000 0.000 0.218 190 R C 1.557 177.350 176.300 -0.846 0.000 1.074 190 R CA 1.025 56.632 56.100 -0.823 0.000 0.991 190 R CB 0.095 29.487 30.300 -1.514 0.000 0.883 190 R HN 0.341 nan 8.270 nan 0.000 0.457 191 W N -0.475 120.732 121.300 -0.156 0.000 2.893 191 W HA 0.220 4.880 4.660 -0.000 0.000 0.253 191 W C 1.095 177.509 176.519 -0.175 0.000 1.171 191 W CA -0.468 56.784 57.345 -0.154 0.000 1.480 191 W CB -0.363 28.993 29.460 -0.173 0.000 0.963 191 W HN 0.022 nan 8.180 nan 0.000 0.637 192 N N 1.449 120.114 118.700 -0.060 0.000 2.520 192 N HA -0.122 4.618 4.740 0.000 0.000 0.185 192 N C 1.075 176.593 175.510 0.013 0.000 1.068 192 N CA 0.901 53.879 53.050 -0.120 0.000 0.911 192 N CB -0.375 37.849 38.487 -0.439 0.000 0.961 192 N HN 0.171 nan 8.380 nan 0.000 0.446 193 N N 0.359 119.053 118.700 -0.009 0.000 2.173 193 N HA -0.014 4.726 4.740 0.000 0.000 0.184 193 N C 1.239 176.759 175.510 0.017 0.000 1.025 193 N CA 0.588 53.647 53.050 0.016 0.000 0.852 193 N CB -0.489 37.984 38.487 -0.022 0.000 0.998 193 N HN 0.148 nan 8.380 nan 0.000 0.427 194 G N -0.435 108.366 108.800 0.002 0.000 2.611 194 G HA2 0.187 4.147 3.960 0.000 0.000 0.273 194 G HA3 0.187 4.147 3.960 0.000 0.000 0.273 194 G C 0.885 175.812 174.900 0.044 0.000 1.305 194 G CA -0.173 44.937 45.100 0.017 0.000 1.010 194 G HN 0.136 nan 8.290 nan 0.000 0.509 195 S N -0.665 115.061 115.700 0.044 0.000 2.355 195 S HA -0.070 4.400 4.470 0.000 0.000 0.222 195 S C 1.060 175.697 174.600 0.061 0.000 1.031 195 S CA 0.687 58.917 58.200 0.051 0.000 0.993 195 S CB -0.138 63.086 63.200 0.040 0.000 0.859 195 S HN 0.636 nan 8.310 nan 0.000 0.453 196 D N 1.883 122.321 120.400 0.062 0.000 2.363 196 D HA 0.022 4.662 4.640 0.000 0.000 0.263 196 D C 0.816 177.146 176.300 0.049 0.000 1.258 196 D CA 0.120 54.155 54.000 0.058 0.000 0.907 196 D CB 0.561 41.400 40.800 0.065 0.000 1.107 196 D HN 0.138 nan 8.370 nan 0.000 0.495 197 E N 1.492 121.722 120.200 0.051 0.000 2.150 197 E HA -0.127 4.223 4.350 0.000 0.000 0.193 197 E C 1.790 178.389 176.600 -0.002 0.000 0.985 197 E CA 0.634 57.065 56.400 0.051 0.000 0.814 197 E CB 0.037 29.787 29.700 0.083 0.000 0.752 197 E HN 0.540 nan 8.360 nan 0.000 0.466 198 S N 0.029 115.733 115.700 0.006 0.000 2.515 198 S HA 0.011 4.481 4.470 0.000 0.000 0.231 198 S C 1.669 176.306 174.600 0.061 0.000 0.987 198 S CA 0.620 58.831 58.200 0.019 0.000 0.936 198 S CB 0.099 63.323 63.200 0.040 0.000 0.766 198 S HN 0.081 nan 8.310 nan 0.000 0.528 199 K N 0.570 120.966 120.400 -0.007 0.000 2.365 199 K HA 0.256 4.576 4.320 0.000 0.000 0.195 199 K C 0.185 176.679 176.600 -0.178 0.000 1.079 199 K CA -0.022 56.201 56.287 -0.107 0.000 0.979 199 K CB 0.266 32.730 32.500 -0.061 0.000 0.929 199 K HN 0.209 nan 8.250 nan 0.000 0.523 200 K N 1.485 121.803 120.400 -0.136 0.000 2.489 200 K HA 0.008 4.328 4.320 0.000 0.000 0.278 200 K C -0.733 175.596 176.600 -0.452 0.000 1.000 200 K CA 0.036 56.146 56.287 -0.294 0.000 1.012 200 K CB 0.442 32.687 32.500 -0.425 0.000 0.903 200 K HN -0.113 nan 8.250 nan 0.000 0.485 201 L N 5.122 126.060 121.223 -0.475 0.000 2.318 201 L HA 0.265 4.605 4.340 0.000 0.000 0.277 201 L C -1.480 175.157 176.870 -0.389 0.000 1.008 201 L CA -0.450 54.156 54.840 -0.390 0.000 0.846 201 L CB 0.416 42.318 42.059 -0.261 0.000 1.220 201 L HN 0.374 nan 8.230 nan 0.000 0.423 202 Y N 3.260 123.464 120.300 -0.161 0.000 2.335 202 Y HA 0.350 4.900 4.550 0.000 0.000 0.331 202 Y C 0.559 176.337 175.900 -0.203 0.000 1.094 202 Y CA -0.339 57.613 58.100 -0.246 0.000 1.253 202 Y CB 0.667 38.705 38.460 -0.704 0.000 1.203 202 Y HN 0.467 nan 8.280 nan 0.000 0.508 203 C N 3.565 122.932 119.300 0.112 0.000 2.329 203 C HA 0.673 5.133 4.460 0.000 0.000 0.329 203 C C -0.174 174.836 174.990 0.034 0.000 1.275 203 C CA -1.115 57.950 59.018 0.078 0.000 1.726 203 C CB 0.322 28.165 27.740 0.171 0.000 2.291 203 C HN 0.570 nan 8.230 nan 0.000 0.514 204 V N 3.986 123.903 119.914 0.004 0.000 2.376 204 V HA 0.255 4.375 4.120 0.000 0.000 0.287 204 V C -0.853 175.234 176.094 -0.011 0.000 1.015 204 V CA -0.532 61.770 62.300 0.004 0.000 0.834 204 V CB 0.763 32.577 31.823 -0.016 0.000 1.001 204 V HN 0.809 nan 8.190 nan 0.000 0.428 205 Y N 5.510 125.760 120.300 -0.083 0.000 2.353 205 Y HA 0.649 5.199 4.550 -0.000 0.000 0.340 205 Y C -0.242 175.609 175.900 -0.080 0.000 0.972 205 Y CA -0.627 57.417 58.100 -0.092 0.000 1.157 205 Y CB 1.474 39.900 38.460 -0.056 0.000 1.157 205 Y HN 0.444 nan 8.280 nan 0.000 0.495 206 V N 5.689 125.290 119.914 -0.521 0.000 2.394 206 V HA 0.686 4.806 4.120 0.000 0.000 0.282 206 V C 0.002 175.794 176.094 -0.503 0.000 1.031 206 V CA -0.735 61.355 62.300 -0.350 0.000 0.881 206 V CB 0.960 32.656 31.823 -0.211 0.000 0.982 206 V HN 0.916 nan 8.190 nan 0.000 0.451 207 A N 5.060 127.752 122.820 -0.214 0.000 2.322 207 A HA 0.729 5.049 4.320 0.000 0.000 0.327 207 A C -0.495 177.068 177.584 -0.035 0.000 1.394 207 A CA -0.437 51.541 52.037 -0.098 0.000 0.921 207 A CB 0.584 19.660 19.000 0.126 0.000 1.153 207 A HN 0.701 nan 8.150 nan 0.000 0.523 208 V N 2.299 122.187 119.914 -0.042 0.000 2.370 208 V HA 0.608 4.728 4.120 0.000 0.000 0.279 208 V C 1.340 177.451 176.094 0.027 0.000 1.029 208 V CA 0.626 62.926 62.300 0.001 0.000 0.870 208 V CB 0.676 32.497 31.823 -0.003 0.000 0.984 208 V HN 1.711 nan 8.190 nan 0.000 0.451 209 G N 3.696 112.523 108.800 0.045 0.000 2.168 209 G HA2 -0.248 3.712 3.960 0.000 0.000 0.263 209 G HA3 -0.248 3.712 3.960 0.000 0.000 0.263 209 G C 0.241 175.172 174.900 0.051 0.000 0.977 209 G CA 0.410 45.542 45.100 0.054 0.000 0.659 209 G HN 0.680 nan 8.290 nan 0.000 0.533 210 Q N 0.426 120.257 119.800 0.052 0.000 2.417 210 Q HA 0.417 4.757 4.340 0.000 0.000 0.241 210 Q C 0.811 176.843 176.000 0.054 0.000 1.008 210 Q CA 0.111 55.949 55.803 0.060 0.000 0.901 210 Q CB 0.623 29.411 28.738 0.082 0.000 1.259 210 Q HN 0.671 nan 8.270 nan 0.000 0.489 211 K N 0.614 121.044 120.400 0.050 0.000 2.126 211 K HA 0.214 4.534 4.320 0.000 0.000 0.257 211 K C 0.448 177.073 176.600 0.043 0.000 1.007 211 K CA -0.539 55.774 56.287 0.042 0.000 0.928 211 K CB 1.031 33.553 32.500 0.035 0.000 1.013 211 K HN 0.430 nan 8.250 nan 0.000 0.473 212 R N 0.486 121.007 120.500 0.036 0.000 2.091 212 R HA -0.147 4.193 4.340 0.000 0.000 0.238 212 R C 2.308 178.626 176.300 0.029 0.000 1.136 212 R CA 2.224 58.344 56.100 0.033 0.000 0.959 212 R CB -0.322 29.994 30.300 0.027 0.000 0.856 212 R HN 0.900 nan 8.270 nan 0.000 0.437 213 S N -0.638 115.078 115.700 0.026 0.000 2.447 213 S HA -0.086 4.384 4.470 0.000 0.000 0.233 213 S C 1.738 176.352 174.600 0.024 0.000 1.006 213 S CA 1.453 59.666 58.200 0.021 0.000 0.957 213 S CB -0.184 63.027 63.200 0.018 0.000 0.773 213 S HN 0.215 nan 8.310 nan 0.000 0.507 214 T N 2.258 116.832 114.554 0.034 0.000 2.812 214 T HA 0.045 4.395 4.350 0.000 0.000 0.264 214 T C 1.904 176.627 174.700 0.037 0.000 1.042 214 T CA 1.211 63.335 62.100 0.040 0.000 1.140 214 T CB -0.420 68.482 68.868 0.057 0.000 0.870 214 T HN 0.317 nan 8.240 nan 0.000 0.445 215 V N 1.770 121.712 119.914 0.047 0.000 2.427 215 V HA -0.085 4.035 4.120 0.000 0.000 0.248 215 V C 2.893 178.995 176.094 0.013 0.000 1.051 215 V CA 1.472 63.800 62.300 0.046 0.000 1.048 215 V CB -1.251 30.612 31.823 0.066 0.000 0.666 215 V HN 0.498 nan 8.190 nan 0.000 0.456 216 A N 0.080 122.907 122.820 0.012 0.000 1.845 216 A HA -0.331 3.989 4.320 0.000 0.000 0.215 216 A C 2.231 179.809 177.584 -0.010 0.000 1.195 216 A CA 2.275 54.312 52.037 -0.000 0.000 0.616 216 A CB -0.733 18.270 19.000 0.004 0.000 0.832 216 A HN 0.534 nan 8.150 nan 0.000 0.443 217 Q N -0.607 119.190 119.800 -0.004 0.000 2.173 217 Q HA -0.210 4.130 4.340 0.000 0.000 0.208 217 Q C 1.792 177.778 176.000 -0.023 0.000 0.989 217 Q CA 2.137 57.935 55.803 -0.008 0.000 0.872 217 Q CB -0.466 28.276 28.738 0.007 0.000 0.909 217 Q HN 0.622 nan 8.270 nan 0.000 0.420 218 L N -1.276 119.924 121.223 -0.037 0.000 2.049 218 L HA -0.064 4.276 4.340 0.000 0.000 0.203 218 L C 2.120 178.932 176.870 -0.095 0.000 1.074 218 L CA 1.159 55.947 54.840 -0.087 0.000 0.749 218 L CB -0.539 41.424 42.059 -0.159 0.000 0.907 218 L HN 0.131 nan 8.230 nan 0.000 0.439 219 V N -0.063 119.806 119.914 -0.075 0.000 2.278 219 V HA -0.361 3.759 4.120 0.000 0.000 0.251 219 V C 2.730 178.792 176.094 -0.054 0.000 1.062 219 V CA 1.936 64.198 62.300 -0.063 0.000 1.038 219 V CB -0.751 31.050 31.823 -0.037 0.000 0.646 219 V HN 0.558 nan 8.190 nan 0.000 0.447 220 Q N -0.553 119.222 119.800 -0.042 0.000 2.135 220 Q HA -0.183 4.157 4.340 0.000 0.000 0.204 220 Q C 2.385 178.364 176.000 -0.035 0.000 0.981 220 Q CA 2.247 58.028 55.803 -0.036 0.000 0.856 220 Q CB -0.780 27.939 28.738 -0.031 0.000 0.902 220 Q HN 0.634 nan 8.270 nan 0.000 0.425 221 T N 0.971 115.500 114.554 -0.043 0.000 2.904 221 T HA 0.036 4.386 4.350 0.000 0.000 0.267 221 T C 1.890 176.600 174.700 0.016 0.000 1.059 221 T CA 0.363 62.444 62.100 -0.031 0.000 1.137 221 T CB 0.019 68.833 68.868 -0.089 0.000 0.879 221 T HN 0.157 nan 8.240 nan 0.000 0.467 222 L N 0.391 121.587 121.223 -0.044 0.000 2.156 222 L HA 0.010 4.350 4.340 0.000 0.000 0.208 222 L C 2.620 179.467 176.870 -0.039 0.000 1.095 222 L CA 1.167 55.970 54.840 -0.063 0.000 0.770 222 L CB -0.329 41.655 42.059 -0.125 0.000 0.914 222 L HN 0.297 nan 8.230 nan 0.000 0.439 223 E N -0.207 119.972 120.200 -0.036 0.000 2.047 223 E HA -0.245 4.105 4.350 0.000 0.000 0.191 223 E C 2.188 178.774 176.600 -0.022 0.000 0.987 223 E CA 0.962 57.341 56.400 -0.036 0.000 0.799 223 E CB 0.012 29.690 29.700 -0.037 0.000 0.752 223 E HN 0.486 nan 8.360 nan 0.000 0.449 224 Q N -0.436 119.358 119.800 -0.010 0.000 2.181 224 Q HA -0.178 4.162 4.340 0.000 0.000 0.205 224 Q C 1.353 177.289 176.000 -0.107 0.000 0.980 224 Q CA 1.246 57.016 55.803 -0.054 0.000 0.862 224 Q CB -0.007 28.693 28.738 -0.063 0.000 0.905 224 Q HN 0.361 nan 8.270 nan 0.000 0.429 225 H N -0.778 118.252 119.070 -0.067 0.000 2.539 225 H HA 0.040 4.596 4.556 0.000 0.000 0.269 225 H C -0.401 174.910 175.328 -0.029 0.000 0.980 225 H CA 0.589 56.614 56.048 -0.039 0.000 1.152 225 H CB 0.433 30.184 29.762 -0.019 0.000 1.407 225 H HN 0.162 nan 8.280 nan 0.000 0.564 226 D N -0.465 119.953 120.400 0.030 0.000 2.705 226 D HA -0.193 4.447 4.640 0.000 0.000 0.240 226 D C 0.528 176.799 176.300 -0.047 0.000 1.137 226 D CA 0.707 54.705 54.000 -0.004 0.000 0.677 226 D CB -1.091 39.718 40.800 0.016 0.000 1.049 226 D HN 0.456 nan 8.370 nan 0.000 0.427 227 A N 0.642 123.346 122.820 -0.194 0.000 2.419 227 A HA 0.218 4.538 4.320 0.000 0.000 0.233 227 A C 1.912 179.066 177.584 -0.716 0.000 1.217 227 A CA 0.096 51.735 52.037 -0.663 0.000 0.944 227 A CB 0.112 18.863 19.000 -0.415 0.000 1.025 227 A HN 0.320 nan 8.150 nan 0.000 0.524 228 M N 1.188 120.592 119.600 -0.326 0.000 2.374 228 M HA -0.116 4.364 4.480 0.000 0.000 0.264 228 M C 1.988 178.189 176.300 -0.166 0.000 1.067 228 M CA 1.521 56.695 55.300 -0.211 0.000 1.103 228 M CB -0.776 31.756 32.600 -0.114 0.000 1.402 228 M HN 0.696 nan 8.290 nan 0.000 0.444 229 K N 0.295 120.600 120.400 -0.157 0.000 2.057 229 K HA -0.168 4.152 4.320 0.000 0.000 0.206 229 K C 1.165 177.809 176.600 0.074 0.000 1.050 229 K CA 1.591 57.870 56.287 -0.014 0.000 0.935 229 K CB -0.939 31.599 32.500 0.065 0.000 0.715 229 K HN 0.453 nan 8.250 nan 0.000 0.439 230 Y N 0.624 120.986 120.300 0.104 0.000 2.645 230 Y HA 0.508 5.058 4.550 -0.000 0.000 0.307 230 Y C -0.357 175.603 175.900 0.100 0.000 1.151 230 Y CA -1.005 57.193 58.100 0.163 0.000 1.291 230 Y CB 0.183 38.759 38.460 0.193 0.000 1.135 230 Y HN -0.146 nan 8.280 nan 0.000 0.523 231 S N 0.983 116.678 115.700 -0.009 0.000 2.542 231 S HA 0.698 5.168 4.470 0.000 0.000 0.293 231 S C -0.903 173.706 174.600 0.014 0.000 1.089 231 S CA -0.742 57.452 58.200 -0.010 0.000 0.961 231 S CB 1.585 64.719 63.200 -0.110 0.000 1.062 231 S HN 0.290 nan 8.310 nan 0.000 0.483 232 I N 3.179 123.772 120.570 0.039 0.000 2.439 232 I HA 0.351 4.521 4.170 0.000 0.000 0.283 232 I C -0.981 175.173 176.117 0.061 0.000 1.023 232 I CA -0.576 60.752 61.300 0.047 0.000 1.100 232 I CB 1.227 39.271 38.000 0.074 0.000 1.238 232 I HN 0.383 nan 8.210 nan 0.000 0.445 233 I N 7.134 127.739 120.570 0.057 0.000 2.371 233 I HA 0.306 4.476 4.170 0.000 0.000 0.290 233 I C 0.098 176.253 176.117 0.064 0.000 1.028 233 I CA -0.547 60.811 61.300 0.096 0.000 1.345 233 I CB 1.263 39.313 38.000 0.084 0.000 1.407 233 I HN 0.137 nan 8.210 nan 0.000 0.501 234 V N 5.683 125.632 119.914 0.057 0.000 2.444 234 V HA 0.746 4.866 4.120 0.000 0.000 0.294 234 V C 0.161 176.267 176.094 0.020 0.000 1.022 234 V CA -0.667 61.647 62.300 0.023 0.000 0.850 234 V CB 1.626 33.450 31.823 0.003 0.000 0.992 234 V HN 0.882 nan 8.190 nan 0.000 0.426 235 A N 3.892 126.724 122.820 0.021 0.000 2.335 235 A HA 0.895 5.215 4.320 0.000 0.000 0.304 235 A C -0.129 177.465 177.584 0.017 0.000 1.118 235 A CA -0.325 51.728 52.037 0.027 0.000 0.757 235 A CB 1.489 20.516 19.000 0.044 0.000 1.188 235 A HN 1.354 nan 8.150 nan 0.000 0.460 236 A N 3.049 125.881 122.820 0.020 0.000 2.536 236 A HA 0.633 4.953 4.320 0.000 0.000 0.329 236 A C 0.526 178.135 177.584 0.043 0.000 1.321 236 A CA 0.038 52.093 52.037 0.030 0.000 0.804 236 A CB -0.414 18.608 19.000 0.036 0.000 1.126 236 A HN 1.245 nan 8.150 nan 0.000 0.480 237 T N -1.017 113.563 114.554 0.043 0.000 2.754 237 T HA 0.508 4.858 4.350 0.000 0.000 0.286 237 T C 1.578 176.309 174.700 0.051 0.000 0.997 237 T CA 0.036 62.164 62.100 0.047 0.000 0.982 237 T CB 1.021 69.915 68.868 0.043 0.000 1.027 237 T HN 1.008 nan 8.240 nan 0.000 0.529 238 A N 0.924 123.773 122.820 0.049 0.000 1.978 238 A HA -0.080 4.240 4.320 0.000 0.000 0.220 238 A C 2.474 180.087 177.584 0.048 0.000 1.170 238 A CA 1.980 54.047 52.037 0.049 0.000 0.636 238 A CB -1.461 17.565 19.000 0.044 0.000 0.810 238 A HN 1.072 nan 8.150 nan 0.000 0.448 239 S N -0.576 115.151 115.700 0.044 0.000 2.561 239 S HA 0.060 4.530 4.470 0.000 0.000 0.225 239 S C 0.487 175.117 174.600 0.050 0.000 0.977 239 S CA 0.152 58.377 58.200 0.042 0.000 0.926 239 S CB -0.111 63.111 63.200 0.035 0.000 0.769 239 S HN 0.650 nan 8.310 nan 0.000 0.533 240 E N 1.208 121.444 120.200 0.060 0.000 2.242 240 E HA 0.611 4.961 4.350 0.000 0.000 0.275 240 E C -0.213 176.445 176.600 0.096 0.000 1.002 240 E CA -0.655 55.790 56.400 0.075 0.000 0.841 240 E CB 1.351 31.093 29.700 0.070 0.000 1.109 240 E HN 0.399 nan 8.360 nan 0.000 0.394 241 A N 2.097 124.990 122.820 0.121 0.000 2.567 241 A HA 0.109 4.429 4.320 0.000 0.000 0.240 241 A C 1.316 179.004 177.584 0.172 0.000 1.053 241 A CA 0.790 52.912 52.037 0.143 0.000 0.755 241 A CB 0.153 19.265 19.000 0.187 0.000 0.978 241 A HN 0.843 nan 8.150 nan 0.000 0.507 242 A N 4.394 127.300 122.820 0.143 0.000 1.927 242 A HA -0.133 4.187 4.320 0.000 0.000 0.220 242 A C -0.064 177.670 177.584 0.250 0.000 1.185 242 A CA 2.241 54.377 52.037 0.164 0.000 0.639 242 A CB -1.657 17.411 19.000 0.112 0.000 0.820 242 A HN 0.663 nan 8.150 nan 0.000 0.451 243 P HA -0.131 nan 4.420 nan 0.000 0.216 243 P C 1.465 179.063 177.300 0.497 0.000 1.150 243 P CA 0.871 64.228 63.100 0.428 0.000 0.837 243 P CB -0.177 31.771 31.700 0.415 0.000 0.786 244 L N -0.902 120.550 121.223 0.383 0.000 2.046 244 L HA -0.221 4.119 4.340 0.000 0.000 0.208 244 L C 2.665 179.625 176.870 0.150 0.000 1.077 244 L CA 1.633 56.578 54.840 0.175 0.000 0.747 244 L CB -0.991 41.116 42.059 0.080 0.000 0.896 244 L HN 0.019 nan 8.230 nan 0.000 0.432 245 Q N -1.182 118.726 119.800 0.180 0.000 2.124 245 Q HA -0.251 4.089 4.340 0.000 0.000 0.202 245 Q C 2.113 178.214 176.000 0.167 0.000 0.977 245 Q CA 1.858 57.748 55.803 0.144 0.000 0.850 245 Q CB -0.248 28.579 28.738 0.148 0.000 0.901 245 Q HN 0.523 nan 8.270 nan 0.000 0.429 246 Y N 0.814 121.199 120.300 0.142 0.000 2.200 246 Y HA -0.165 4.385 4.550 -0.000 0.000 0.290 246 Y C 1.647 177.655 175.900 0.181 0.000 1.137 246 Y CA 1.265 59.467 58.100 0.171 0.000 1.163 246 Y CB -0.157 38.460 38.460 0.262 0.000 0.988 246 Y HN -0.016 nan 8.280 nan 0.000 0.518 247 L N -0.042 121.185 121.223 0.008 0.000 2.179 247 L HA -0.035 4.304 4.340 0.000 0.000 0.208 247 L C 2.824 179.680 176.870 -0.025 0.000 1.096 247 L CA 0.767 55.591 54.840 -0.027 0.000 0.779 247 L CB -0.917 41.203 42.059 0.103 0.000 0.922 247 L HN 0.343 nan 8.230 nan 0.000 0.443 248 A N 1.107 123.909 122.820 -0.030 0.000 1.896 248 A HA -0.204 4.116 4.320 0.000 0.000 0.220 248 A C -0.074 177.474 177.584 -0.059 0.000 1.206 248 A CA 2.245 54.262 52.037 -0.033 0.000 0.647 248 A CB -1.945 17.044 19.000 -0.018 0.000 0.828 248 A HN 0.281 nan 8.150 nan 0.000 0.455 249 P HA -0.088 nan 4.420 nan 0.000 0.217 249 P C 1.011 178.231 177.300 -0.135 0.000 1.150 249 P CA 0.942 63.961 63.100 -0.134 0.000 0.832 249 P CB -0.189 31.236 31.700 -0.457 0.000 0.787 250 F N -0.833 119.067 119.950 -0.084 0.000 2.186 250 F HA -0.108 4.419 4.527 -0.000 0.000 0.299 250 F C 2.420 178.203 175.800 -0.030 0.000 1.090 250 F CA 1.353 59.295 58.000 -0.096 0.000 1.307 250 F CB -1.825 37.054 39.000 -0.202 0.000 1.019 250 F HN -0.090 nan 8.300 nan 0.000 0.489 251 T N -0.441 114.197 114.554 0.139 0.000 2.770 251 T HA -0.061 4.289 4.350 0.000 0.000 0.263 251 T C 2.270 177.018 174.700 0.080 0.000 1.039 251 T CA 1.236 63.388 62.100 0.087 0.000 1.142 251 T CB -0.462 68.433 68.868 0.044 0.000 0.868 251 T HN 0.246 nan 8.240 nan 0.000 0.435 252 A N 1.128 123.989 122.820 0.069 0.000 2.015 252 A HA 0.228 4.548 4.320 0.000 0.000 0.219 252 A C 2.541 180.180 177.584 0.093 0.000 1.163 252 A CA 1.702 53.773 52.037 0.058 0.000 0.646 252 A CB -0.893 18.108 19.000 0.002 0.000 0.806 252 A HN 0.499 nan 8.150 nan 0.000 0.448 253 A N -0.240 122.671 122.820 0.152 0.000 1.851 253 A HA -0.125 4.195 4.320 0.000 0.000 0.216 253 A C 2.459 180.137 177.584 0.156 0.000 1.195 253 A CA 2.196 54.345 52.037 0.187 0.000 0.622 253 A CB -1.056 18.076 19.000 0.221 0.000 0.831 253 A HN 0.453 nan 8.150 nan 0.000 0.444 254 S N -0.309 115.474 115.700 0.138 0.000 2.382 254 S HA -0.127 4.343 4.470 0.000 0.000 0.228 254 S C 1.809 176.493 174.600 0.140 0.000 1.027 254 S CA 1.408 59.682 58.200 0.122 0.000 0.991 254 S CB -0.539 62.717 63.200 0.092 0.000 0.823 254 S HN 0.497 nan 8.310 nan 0.000 0.469 255 I N 1.387 122.036 120.570 0.133 0.000 2.118 255 I HA -0.219 3.951 4.170 0.000 0.000 0.241 255 I C 2.682 178.977 176.117 0.297 0.000 1.070 255 I CA 1.445 62.839 61.300 0.157 0.000 1.327 255 I CB -0.760 37.314 38.000 0.122 0.000 1.034 255 I HN 0.398 nan 8.210 nan 0.000 0.405 256 G N -0.369 108.605 108.800 0.289 0.000 2.432 256 G HA2 -0.212 3.748 3.960 0.000 0.000 0.219 256 G HA3 -0.212 3.748 3.960 0.000 0.000 0.219 256 G C 1.493 176.657 174.900 0.439 0.000 1.135 256 G CA 0.459 45.794 45.100 0.391 0.000 0.767 256 G HN 0.426 nan 8.290 nan 0.000 0.550 257 E N -0.728 119.636 120.200 0.275 0.000 2.204 257 E HA -0.136 4.214 4.350 0.000 0.000 0.194 257 E C 1.915 178.610 176.600 0.159 0.000 0.989 257 E CA 0.373 56.889 56.400 0.193 0.000 0.824 257 E CB -0.179 29.599 29.700 0.130 0.000 0.756 257 E HN 0.669 nan 8.360 nan 0.000 0.477 258 W N 0.906 122.192 121.300 -0.025 0.000 2.318 258 W HA -0.272 4.388 4.660 0.000 0.000 0.313 258 W C 1.521 177.914 176.519 -0.210 0.000 1.221 258 W CA 1.824 59.045 57.345 -0.206 0.000 1.266 258 W CB -0.427 28.772 29.460 -0.435 0.000 1.150 258 W HN -0.001 nan 8.180 nan 0.000 0.496 259 F N 0.158 120.207 119.950 0.164 0.000 2.134 259 F HA -0.129 4.398 4.527 0.000 0.000 0.299 259 F C 2.721 178.437 175.800 -0.140 0.000 1.097 259 F CA 2.034 60.037 58.000 0.004 0.000 1.264 259 F CB -1.266 37.886 39.000 0.254 0.000 1.001 259 F HN -0.155 nan 8.300 nan 0.000 0.479 260 R N 0.855 121.431 120.500 0.127 0.000 2.081 260 R HA -0.157 4.183 4.340 0.000 0.000 0.235 260 R C 1.455 177.711 176.300 -0.073 0.000 1.131 260 R CA 2.076 58.204 56.100 0.046 0.000 0.960 260 R CB -0.452 29.899 30.300 0.084 0.000 0.856 260 R HN 0.230 nan 8.270 nan 0.000 0.436 261 D N 0.070 120.378 120.400 -0.152 0.000 2.277 261 D HA -0.070 4.570 4.640 0.000 0.000 0.208 261 D C 0.399 176.524 176.300 -0.291 0.000 0.962 261 D CA 0.625 54.512 54.000 -0.189 0.000 0.865 261 D CB -0.139 40.553 40.800 -0.180 0.000 0.939 261 D HN 0.281 nan 8.370 nan 0.000 0.510 262 N N 0.407 118.824 118.700 -0.471 0.000 2.376 262 N HA 0.159 4.899 4.740 0.000 0.000 0.249 262 N C 0.821 176.129 175.510 -0.335 0.000 1.140 262 N CA 0.113 52.841 53.050 -0.538 0.000 0.870 262 N CB 1.161 38.982 38.487 -1.110 0.000 1.124 262 N HN 0.116 nan 8.380 nan 0.000 0.505 263 G N 1.275 109.940 108.800 -0.225 0.000 2.198 263 G HA2 -0.304 3.656 3.960 0.000 0.000 0.260 263 G HA3 -0.304 3.656 3.960 0.000 0.000 0.260 263 G C 0.085 174.834 174.900 -0.252 0.000 1.025 263 G CA 0.600 45.593 45.100 -0.179 0.000 0.769 263 G HN 0.379 nan 8.290 nan 0.000 0.507 264 K N -0.908 119.339 120.400 -0.254 0.000 2.261 264 K HA 0.730 5.050 4.320 0.000 0.000 0.242 264 K C -0.766 175.598 176.600 -0.393 0.000 1.083 264 K CA -1.135 54.964 56.287 -0.314 0.000 0.880 264 K CB 1.268 33.874 32.500 0.176 0.000 1.353 264 K HN 0.222 nan 8.250 nan 0.000 0.486 265 H N -0.361 118.760 119.070 0.086 0.000 2.609 265 H HA 0.512 5.068 4.556 0.000 0.000 0.344 265 H C -1.071 174.249 175.328 -0.014 0.000 1.040 265 H CA -0.816 55.232 56.048 -0.001 0.000 1.216 265 H CB 1.821 31.515 29.762 -0.112 0.000 1.529 265 H HN 0.727 nan 8.280 nan 0.000 0.519 266 A N 3.045 125.939 122.820 0.122 0.000 2.355 266 A HA 0.563 4.883 4.320 0.000 0.000 0.324 266 A C -0.956 176.625 177.584 -0.005 0.000 1.117 266 A CA -0.697 51.343 52.037 0.005 0.000 0.785 266 A CB 1.485 20.494 19.000 0.015 0.000 1.254 266 A HN 0.489 nan 8.150 nan 0.000 0.453 267 L N 2.145 123.344 121.223 -0.039 0.000 2.322 267 L HA 0.769 5.109 4.340 0.000 0.000 0.281 267 L C -0.842 175.988 176.870 -0.067 0.000 1.014 267 L CA -0.421 54.392 54.840 -0.044 0.000 0.815 267 L CB 1.228 43.264 42.059 -0.038 0.000 1.247 267 L HN 0.664 nan 8.230 nan 0.000 0.421 268 I N 5.102 125.599 120.570 -0.122 0.000 2.465 268 I HA 0.549 4.719 4.170 0.000 0.000 0.291 268 I C -1.295 174.603 176.117 -0.364 0.000 1.014 268 I CA -0.652 60.482 61.300 -0.276 0.000 1.093 268 I CB 1.807 39.569 38.000 -0.396 0.000 1.267 268 I HN 0.375 nan 8.210 nan 0.000 0.431 269 V N 8.151 127.850 119.914 -0.359 0.000 2.357 269 V HA 0.298 4.418 4.120 0.000 0.000 0.284 269 V C -1.033 174.763 176.094 -0.497 0.000 1.018 269 V CA -0.417 61.706 62.300 -0.295 0.000 0.841 269 V CB 1.086 32.876 31.823 -0.054 0.000 0.991 269 V HN 0.487 nan 8.190 nan 0.000 0.437 270 Y N 2.670 122.850 120.300 -0.199 0.000 2.535 270 Y HA 0.421 4.971 4.550 -0.000 0.000 0.349 270 Y C 0.392 176.146 175.900 -0.244 0.000 0.992 270 Y CA -0.692 57.261 58.100 -0.245 0.000 1.248 270 Y CB 0.643 38.969 38.460 -0.223 0.000 1.124 270 Y HN 0.515 nan 8.280 nan 0.000 0.520 271 D N 3.722 123.993 120.400 -0.215 0.000 2.462 271 D HA 0.191 4.830 4.640 0.000 0.000 0.249 271 D C -1.291 174.945 176.300 -0.108 0.000 1.117 271 D CA -0.386 53.507 54.000 -0.179 0.000 0.900 271 D CB 0.291 40.911 40.800 -0.300 0.000 1.039 271 D HN 0.677 nan 8.370 nan 0.000 0.516 272 D N 0.308 120.682 120.400 -0.043 0.000 2.552 272 D HA 0.219 4.859 4.640 0.000 0.000 0.239 272 D C 0.916 177.190 176.300 -0.042 0.000 1.139 272 D CA -0.731 53.248 54.000 -0.036 0.000 0.914 272 D CB 1.056 41.848 40.800 -0.013 0.000 1.461 272 D HN 0.061 nan 8.370 nan 0.000 0.462 273 L N 0.254 121.419 121.223 -0.097 0.000 2.291 273 L HA -0.064 4.276 4.340 0.000 0.000 0.214 273 L C 1.887 178.738 176.870 -0.031 0.000 1.120 273 L CA 0.740 55.478 54.840 -0.170 0.000 0.799 273 L CB -0.342 41.418 42.059 -0.499 0.000 0.925 273 L HN 0.431 nan 8.230 nan 0.000 0.446 274 S N 0.260 115.960 115.700 0.000 0.000 2.353 274 S HA -0.217 4.253 4.470 0.000 0.000 0.222 274 S C 1.904 176.581 174.600 0.129 0.000 1.035 274 S CA 1.447 59.693 58.200 0.076 0.000 1.025 274 S CB -0.138 63.103 63.200 0.068 0.000 0.902 274 S HN 0.369 nan 8.310 nan 0.000 0.440 275 K N 1.047 121.504 120.400 0.095 0.000 2.211 275 K HA -0.048 4.272 4.320 0.000 0.000 0.203 275 K C 2.401 179.081 176.600 0.133 0.000 1.050 275 K CA 0.762 57.113 56.287 0.107 0.000 0.945 275 K CB -0.087 32.457 32.500 0.073 0.000 0.732 275 K HN 0.342 nan 8.250 nan 0.000 0.451 276 Q N 0.457 120.331 119.800 0.124 0.000 2.083 276 Q HA -0.112 4.228 4.340 0.000 0.000 0.198 276 Q C 2.069 178.231 176.000 0.270 0.000 0.969 276 Q CA 1.360 57.259 55.803 0.159 0.000 0.838 276 Q CB -0.043 28.738 28.738 0.072 0.000 0.900 276 Q HN 0.341 nan 8.270 nan 0.000 0.436 277 A N 0.089 123.089 122.820 0.300 0.000 1.933 277 A HA -0.136 4.184 4.320 0.000 0.000 0.218 277 A C 2.206 180.100 177.584 0.516 0.000 1.175 277 A CA 1.531 53.803 52.037 0.391 0.000 0.628 277 A CB -0.692 18.474 19.000 0.277 0.000 0.814 277 A HN 0.290 nan 8.150 nan 0.000 0.444 278 V N -0.106 120.040 119.914 0.387 0.000 2.295 278 V HA -0.256 3.864 4.120 0.000 0.000 0.246 278 V C 3.060 179.260 176.094 0.176 0.000 1.049 278 V CA 1.909 64.354 62.300 0.242 0.000 1.024 278 V CB -1.386 30.538 31.823 0.169 0.000 0.648 278 V HN 0.628 nan 8.190 nan 0.000 0.447 279 A N -0.463 122.482 122.820 0.208 0.000 1.873 279 A HA -0.321 3.999 4.320 0.000 0.000 0.218 279 A C 2.217 179.936 177.584 0.226 0.000 1.193 279 A CA 2.438 54.597 52.037 0.204 0.000 0.629 279 A CB -0.943 18.201 19.000 0.239 0.000 0.826 279 A HN 0.646 nan 8.150 nan 0.000 0.447 280 Y N 0.409 120.814 120.300 0.174 0.000 2.293 280 Y HA -0.152 4.398 4.550 -0.000 0.000 0.291 280 Y C 2.461 178.394 175.900 0.054 0.000 1.137 280 Y CA 1.841 60.006 58.100 0.108 0.000 1.202 280 Y CB -0.414 38.190 38.460 0.240 0.000 0.990 280 Y HN 0.350 nan 8.280 nan 0.000 0.537 281 R N 0.234 120.739 120.500 0.008 0.000 2.070 281 R HA -0.239 4.101 4.340 0.000 0.000 0.233 281 R C 2.472 178.676 176.300 -0.160 0.000 1.137 281 R CA 1.889 57.904 56.100 -0.143 0.000 0.945 281 R CB -0.488 29.700 30.300 -0.187 0.000 0.845 281 R HN 0.532 nan 8.270 nan 0.000 0.430 282 Q N 0.500 120.253 119.800 -0.078 0.000 2.062 282 Q HA -0.239 4.101 4.340 0.000 0.000 0.209 282 Q C 2.184 178.132 176.000 -0.087 0.000 0.996 282 Q CA 2.298 58.063 55.803 -0.063 0.000 0.859 282 Q CB -0.201 28.532 28.738 -0.007 0.000 0.920 282 Q HN 0.460 nan 8.270 nan 0.000 0.415 283 L N -0.133 121.029 121.223 -0.103 0.000 1.970 283 L HA -0.235 4.105 4.340 0.000 0.000 0.212 283 L C 2.656 179.424 176.870 -0.170 0.000 1.071 283 L CA 1.623 56.385 54.840 -0.130 0.000 0.751 283 L CB -0.604 41.351 42.059 -0.174 0.000 0.889 283 L HN 0.238 nan 8.230 nan 0.000 0.432 284 S N 0.067 115.602 115.700 -0.274 0.000 2.353 284 S HA -0.185 4.285 4.470 0.000 0.000 0.222 284 S C 1.979 176.487 174.600 -0.154 0.000 1.035 284 S CA 1.318 59.368 58.200 -0.251 0.000 1.025 284 S CB -0.457 62.516 63.200 -0.378 0.000 0.902 284 S HN 0.272 nan 8.310 nan 0.000 0.440 285 L N 0.686 121.820 121.223 -0.148 0.000 2.127 285 L HA -0.113 4.227 4.340 0.000 0.000 0.211 285 L C 2.131 178.954 176.870 -0.078 0.000 1.089 285 L CA 1.081 55.858 54.840 -0.105 0.000 0.757 285 L CB -0.406 41.588 42.059 -0.107 0.000 0.899 285 L HN 0.305 nan 8.230 nan 0.000 0.434 286 L N -1.224 119.953 121.223 -0.077 0.000 2.209 286 L HA -0.119 4.221 4.340 0.000 0.000 0.207 286 L C 2.065 178.905 176.870 -0.050 0.000 1.094 286 L CA 0.486 55.292 54.840 -0.056 0.000 0.790 286 L CB -0.077 41.952 42.059 -0.050 0.000 0.932 286 L HN 0.201 nan 8.230 nan 0.000 0.447 287 L N -0.352 120.836 121.223 -0.059 0.000 2.610 287 L HA 0.045 4.385 4.340 0.000 0.000 0.232 287 L C 0.690 177.535 176.870 -0.040 0.000 1.149 287 L CA 0.330 55.142 54.840 -0.047 0.000 0.872 287 L CB -0.179 41.848 42.059 -0.053 0.000 0.992 287 L HN 0.237 nan 8.230 nan 0.000 0.447 288 R N -0.679 119.794 120.500 -0.046 0.000 3.776 288 R HA -0.135 4.205 4.340 0.000 0.000 0.312 288 R C -0.281 175.998 176.300 -0.035 0.000 1.181 288 R CA 0.116 56.194 56.100 -0.037 0.000 0.836 288 R CB -1.537 28.748 30.300 -0.025 0.000 1.324 288 R HN 0.177 nan 8.270 nan 0.000 0.501 289 R N 1.250 121.721 120.500 -0.048 0.000 2.442 289 R HA 0.141 4.481 4.340 0.000 0.000 0.291 289 R C -2.059 174.220 176.300 -0.034 0.000 1.069 289 R CA -2.210 53.865 56.100 -0.040 0.000 1.022 289 R CB -0.057 30.209 30.300 -0.057 0.000 0.976 289 R HN -0.038 nan 8.270 nan 0.000 0.443 290 P HA -0.020 nan 4.420 nan 0.000 0.255 290 P C -2.211 175.086 177.300 -0.006 0.000 1.161 290 P CA -0.359 62.736 63.100 -0.008 0.000 0.768 290 P CB -0.088 31.615 31.700 0.005 0.000 0.746 291 P HA 0.347 nan 4.420 nan 0.000 0.282 291 P C 0.324 177.628 177.300 0.008 0.000 1.249 291 P CA -0.142 62.952 63.100 -0.010 0.000 0.806 291 P CB 1.274 32.956 31.700 -0.030 0.000 0.984 292 G N 0.895 109.715 108.800 0.033 0.000 3.212 292 G HA2 0.408 4.368 3.960 0.000 0.000 0.188 292 G HA3 0.408 4.368 3.960 0.000 0.000 0.188 292 G C -0.720 174.170 174.900 -0.016 0.000 1.254 292 G CA -0.943 44.172 45.100 0.025 0.000 0.957 292 G HN 0.482 nan 8.290 nan 0.000 0.596 293 R N 0.352 120.780 120.500 -0.120 0.000 2.583 293 R HA 0.074 4.414 4.340 0.000 0.000 0.274 293 R C 0.196 176.414 176.300 -0.137 0.000 0.998 293 R CA 0.957 56.870 56.100 -0.312 0.000 1.081 293 R CB -0.158 29.625 30.300 -0.861 0.000 0.940 293 R HN 0.713 nan 8.270 nan 0.000 0.413 294 E N 2.305 122.468 120.200 -0.061 0.000 2.660 294 E HA -0.355 3.995 4.350 0.000 0.000 0.260 294 E C 0.359 176.957 176.600 -0.003 0.000 1.122 294 E CA 0.493 56.943 56.400 0.083 0.000 0.755 294 E CB -1.045 28.855 29.700 0.333 0.000 1.345 294 E HN 0.868 nan 8.360 nan 0.000 0.421 295 A N -2.417 120.380 122.820 -0.038 0.000 3.413 295 A HA -0.320 4.000 4.320 0.000 0.000 0.268 295 A C 0.191 177.706 177.584 -0.116 0.000 1.128 295 A CA 1.869 53.846 52.037 -0.101 0.000 1.062 295 A CB -1.925 16.982 19.000 -0.156 0.000 1.121 295 A HN 0.439 nan 8.150 nan 0.000 0.895 296 Y N 1.080 121.420 120.300 0.068 0.000 2.480 296 Y HA 0.386 4.936 4.550 -0.000 0.000 0.338 296 Y C -1.132 174.818 175.900 0.083 0.000 1.220 296 Y CA -0.926 57.242 58.100 0.114 0.000 1.430 296 Y CB 0.138 38.774 38.460 0.293 0.000 1.311 296 Y HN 0.260 nan 8.280 nan 0.000 0.575 297 P HA -0.012 nan 4.420 nan 0.000 0.271 297 P C 0.641 178.074 177.300 0.221 0.000 1.244 297 P CA 0.203 63.365 63.100 0.104 0.000 0.793 297 P CB 0.696 32.354 31.700 -0.070 0.000 0.984 298 G N 0.896 109.800 108.800 0.173 0.000 2.442 298 G HA2 -0.192 3.768 3.960 0.000 0.000 0.219 298 G HA3 -0.192 3.768 3.960 0.000 0.000 0.219 298 G C 0.479 175.530 174.900 0.251 0.000 1.141 298 G CA 0.680 45.893 45.100 0.188 0.000 0.763 298 G HN 0.669 nan 8.290 nan 0.000 0.554 299 D N 0.425 121.007 120.400 0.303 0.000 3.163 299 D HA 0.178 4.818 4.640 0.000 0.000 0.284 299 D C 1.247 177.782 176.300 0.392 0.000 1.368 299 D CA -0.550 53.673 54.000 0.371 0.000 0.895 299 D CB 0.652 41.697 40.800 0.407 0.000 1.061 299 D HN 0.077 nan 8.370 nan 0.000 0.496 300 V N 0.127 120.250 119.914 0.349 0.000 2.591 300 V HA -0.096 4.024 4.120 0.000 0.000 0.249 300 V C 1.742 177.814 176.094 -0.037 0.000 1.053 300 V CA 0.995 63.423 62.300 0.214 0.000 1.068 300 V CB -0.631 31.320 31.823 0.212 0.000 0.689 300 V HN 0.324 nan 8.190 nan 0.000 0.462 301 F N 0.180 120.099 119.950 -0.052 0.000 2.102 301 F HA -0.223 4.304 4.527 0.000 0.000 0.298 301 F C 2.163 177.984 175.800 0.036 0.000 1.105 301 F CA 2.397 60.365 58.000 -0.052 0.000 1.239 301 F CB -0.645 38.352 39.000 -0.005 0.000 0.991 301 F HN 0.339 nan 8.300 nan 0.000 0.474 302 Y N 0.836 121.136 120.300 0.000 0.000 2.333 302 Y HA -0.152 4.398 4.550 0.000 0.000 0.290 302 Y C 2.073 177.870 175.900 -0.171 0.000 1.144 302 Y CA 1.365 59.411 58.100 -0.089 0.000 1.228 302 Y CB -0.832 37.695 38.460 0.111 0.000 0.985 302 Y HN 0.263 nan 8.280 nan 0.000 0.542 303 L N -0.341 120.698 121.223 -0.306 0.000 2.081 303 L HA -0.265 4.075 4.340 0.000 0.000 0.212 303 L C 2.014 178.693 176.870 -0.318 0.000 1.080 303 L CA 2.338 56.933 54.840 -0.408 0.000 0.754 303 L CB -0.613 41.110 42.059 -0.560 0.000 0.893 303 L HN 0.356 nan 8.230 nan 0.000 0.433 304 H N -2.269 116.604 119.070 -0.327 0.000 2.486 304 H HA 0.042 4.598 4.556 -0.000 0.000 0.287 304 H C 2.315 177.412 175.328 -0.385 0.000 1.010 304 H CA 0.657 56.484 56.048 -0.368 0.000 1.324 304 H CB 0.148 29.703 29.762 -0.346 0.000 1.446 304 H HN 0.476 nan 8.280 nan 0.000 0.537 305 S N 1.048 116.514 115.700 -0.390 0.000 2.368 305 S HA -0.155 4.315 4.470 0.000 0.000 0.224 305 S C 2.035 176.541 174.600 -0.156 0.000 1.029 305 S CA 0.669 58.679 58.200 -0.317 0.000 0.988 305 S CB -0.102 62.831 63.200 -0.444 0.000 0.838 305 S HN 0.288 nan 8.310 nan 0.000 0.462 306 R N 0.464 120.832 120.500 -0.219 0.000 2.091 306 R HA -0.041 4.299 4.340 0.000 0.000 0.238 306 R C 2.408 178.673 176.300 -0.057 0.000 1.136 306 R CA 1.583 57.563 56.100 -0.201 0.000 0.959 306 R CB -0.517 29.456 30.300 -0.545 0.000 0.856 306 R HN 0.500 nan 8.270 nan 0.000 0.437 307 L N 0.734 121.950 121.223 -0.012 0.000 2.005 307 L HA -0.097 4.243 4.340 0.000 0.000 0.207 307 L C 1.951 178.766 176.870 -0.093 0.000 1.072 307 L CA 1.646 56.475 54.840 -0.019 0.000 0.744 307 L CB -0.298 41.578 42.059 -0.305 0.000 0.895 307 L HN 0.151 nan 8.230 nan 0.000 0.433 308 L N -0.444 120.695 121.223 -0.141 0.000 2.376 308 L HA -0.035 4.305 4.340 0.000 0.000 0.219 308 L C 2.055 178.908 176.870 -0.028 0.000 1.133 308 L CA 0.246 55.028 54.840 -0.097 0.000 0.816 308 L CB -0.502 41.477 42.059 -0.133 0.000 0.933 308 L HN 0.274 nan 8.230 nan 0.000 0.449 309 E N 0.379 120.567 120.200 -0.020 0.000 2.511 309 E HA -0.070 4.280 4.350 0.000 0.000 0.196 309 E C 1.828 178.443 176.600 0.027 0.000 1.066 309 E CA 0.419 56.825 56.400 0.010 0.000 0.871 309 E CB 0.072 29.785 29.700 0.021 0.000 0.863 309 E HN 0.483 nan 8.360 nan 0.000 0.520 310 R N 0.305 120.825 120.500 0.035 0.000 2.275 310 R HA 0.176 4.516 4.340 0.000 0.000 0.199 310 R C 0.776 177.116 176.300 0.067 0.000 0.989 310 R CA 0.279 56.413 56.100 0.056 0.000 1.016 310 R CB 0.298 30.644 30.300 0.076 0.000 0.918 310 R HN -0.095 nan 8.270 nan 0.000 0.473 311 A N 1.452 124.310 122.820 0.064 0.000 2.354 311 A HA 0.642 4.962 4.320 0.000 0.000 0.281 311 A C -0.207 177.401 177.584 0.040 0.000 1.174 311 A CA -0.168 51.906 52.037 0.061 0.000 0.828 311 A CB 0.473 19.511 19.000 0.062 0.000 1.099 311 A HN 0.285 nan 8.150 nan 0.000 0.516 312 A N 2.421 125.264 122.820 0.038 0.000 2.593 312 A HA 0.807 5.127 4.320 0.000 0.000 0.290 312 A C -0.762 176.835 177.584 0.022 0.000 1.126 312 A CA -0.775 51.279 52.037 0.027 0.000 0.695 312 A CB 1.269 20.287 19.000 0.030 0.000 1.290 312 A HN 0.819 nan 8.150 nan 0.000 0.414 313 K N 1.324 121.732 120.400 0.013 0.000 2.425 313 K HA 0.629 4.949 4.320 0.000 0.000 0.259 313 K C -1.219 175.396 176.600 0.026 0.000 0.978 313 K CA -0.240 56.053 56.287 0.010 0.000 0.883 313 K CB 0.247 32.731 32.500 -0.026 0.000 1.110 313 K HN 0.597 nan 8.250 nan 0.000 0.436 314 L N 2.939 124.183 121.223 0.035 0.000 2.453 314 L HA 0.300 4.640 4.340 0.000 0.000 0.261 314 L C 0.631 177.521 176.870 0.033 0.000 1.179 314 L CA -0.688 54.169 54.840 0.029 0.000 0.813 314 L CB 1.118 43.188 42.059 0.019 0.000 1.110 314 L HN 0.875 nan 8.230 nan 0.000 0.466 315 S N 0.052 115.767 115.700 0.025 0.000 2.580 315 S HA 0.010 4.480 4.470 0.000 0.000 0.266 315 S C 0.856 175.471 174.600 0.025 0.000 1.354 315 S CA -0.534 57.681 58.200 0.026 0.000 1.008 315 S CB 0.843 64.053 63.200 0.016 0.000 0.898 315 S HN 0.654 nan 8.310 nan 0.000 0.555 316 E N 0.894 121.109 120.200 0.026 0.000 2.130 316 E HA -0.234 4.116 4.350 0.000 0.000 0.196 316 E C 1.859 178.464 176.600 0.008 0.000 0.998 316 E CA 1.449 57.861 56.400 0.021 0.000 0.806 316 E CB -0.199 29.512 29.700 0.017 0.000 0.738 316 E HN 0.806 nan 8.360 nan 0.000 0.459 317 K N 0.932 121.335 120.400 0.005 0.000 2.442 317 K HA -0.181 4.139 4.320 0.000 0.000 0.198 317 K C 1.112 177.708 176.600 -0.007 0.000 1.044 317 K CA 1.137 57.424 56.287 -0.001 0.000 0.948 317 K CB 0.190 32.690 32.500 -0.000 0.000 0.762 317 K HN -0.115 nan 8.250 nan 0.000 0.472 318 E N -1.309 118.888 120.200 -0.006 0.000 2.660 318 E HA 0.190 4.540 4.350 0.000 0.000 0.216 318 E C 0.105 176.689 176.600 -0.027 0.000 0.986 318 E CA 0.503 56.893 56.400 -0.017 0.000 1.037 318 E CB 1.312 31.006 29.700 -0.010 0.000 1.041 318 E HN 0.414 nan 8.360 nan 0.000 0.480 319 G N 0.024 108.812 108.800 -0.020 0.000 2.141 319 G HA2 -0.306 3.654 3.960 0.000 0.000 0.231 319 G HA3 -0.306 3.654 3.960 0.000 0.000 0.231 319 G C 0.684 175.576 174.900 -0.014 0.000 0.984 319 G CA 0.196 45.277 45.100 -0.031 0.000 0.660 319 G HN 0.250 nan 8.290 nan 0.000 0.525 320 S N -1.614 114.097 115.700 0.019 0.000 3.257 320 S HA -0.189 4.281 4.470 0.000 0.000 0.300 320 S C 1.796 176.469 174.600 0.120 0.000 1.275 320 S CA 1.730 59.971 58.200 0.068 0.000 1.023 320 S CB -1.406 61.846 63.200 0.086 0.000 1.180 320 S HN 2.242 nan 8.310 nan 0.000 0.660 321 G N 1.020 109.842 108.800 0.037 0.000 2.664 321 G HA2 0.478 4.438 3.960 0.000 0.000 0.242 321 G HA3 0.478 4.438 3.960 0.000 0.000 0.242 321 G C -0.069 174.921 174.900 0.149 0.000 1.225 321 G CA 0.419 45.541 45.100 0.035 0.000 0.849 321 G HN 1.321 nan 8.290 nan 0.000 0.581 322 S N -0.751 115.091 115.700 0.237 0.000 2.535 322 S HA 0.523 4.993 4.470 0.000 0.000 0.272 322 S C -1.405 173.278 174.600 0.137 0.000 1.149 322 S CA -0.861 57.437 58.200 0.162 0.000 0.888 322 S CB 1.799 65.056 63.200 0.095 0.000 1.110 322 S HN 0.976 nan 8.310 nan 0.000 0.463 323 L N 2.225 123.498 121.223 0.083 0.000 2.333 323 L HA 0.783 5.123 4.340 0.000 0.000 0.280 323 L C -0.628 176.262 176.870 0.034 0.000 1.004 323 L CA 0.246 55.130 54.840 0.074 0.000 0.820 323 L CB 1.951 44.066 42.059 0.093 0.000 1.247 323 L HN 0.928 nan 8.230 nan 0.000 0.416 324 T N 4.417 118.975 114.554 0.007 0.000 2.794 324 T HA 0.804 5.154 4.350 0.000 0.000 0.280 324 T C -0.330 174.367 174.700 -0.006 0.000 0.987 324 T CA -0.352 61.740 62.100 -0.013 0.000 0.993 324 T CB 1.429 70.268 68.868 -0.048 0.000 0.939 324 T HN 0.790 nan 8.240 nan 0.000 0.449 325 A N 3.440 126.274 122.820 0.023 0.000 2.304 325 A HA 0.742 5.062 4.320 0.000 0.000 0.323 325 A C -0.371 177.231 177.584 0.030 0.000 1.195 325 A CA -0.729 51.337 52.037 0.049 0.000 0.826 325 A CB 0.418 19.538 19.000 0.201 0.000 1.184 325 A HN 0.883 nan 8.150 nan 0.000 0.496 326 L N 4.846 126.069 121.223 -0.000 0.000 2.371 326 L HA 0.324 4.664 4.340 0.000 0.000 0.262 326 L C -2.251 174.645 176.870 0.044 0.000 1.054 326 L CA -1.816 53.031 54.840 0.011 0.000 0.924 326 L CB 1.380 43.435 42.059 -0.007 0.000 1.295 326 L HN 0.494 nan 8.230 nan 0.000 0.441 327 P HA 0.152 nan 4.420 nan 0.000 0.278 327 P C -0.585 176.717 177.300 0.004 0.000 1.238 327 P CA -0.223 62.920 63.100 0.071 0.000 0.794 327 P CB 1.899 33.582 31.700 -0.027 0.000 0.955 328 V N 4.384 124.291 119.914 -0.013 0.000 2.417 328 V HA 0.365 4.485 4.120 0.000 0.000 0.291 328 V C 0.398 176.468 176.094 -0.039 0.000 1.024 328 V CA -0.541 61.749 62.300 -0.017 0.000 0.861 328 V CB 1.414 33.234 31.823 -0.004 0.000 0.985 328 V HN 0.420 nan 8.190 nan 0.000 0.436 329 I N 3.580 124.138 120.570 -0.021 0.000 2.530 329 I HA 0.468 4.638 4.170 0.000 0.000 0.297 329 I C 0.020 176.152 176.117 0.025 0.000 1.011 329 I CA -0.444 60.847 61.300 -0.014 0.000 1.107 329 I CB 2.154 40.141 38.000 -0.023 0.000 1.285 329 I HN 0.739 nan 8.210 nan 0.000 0.436 330 E N 4.420 124.642 120.200 0.036 0.000 2.092 330 E HA 0.313 4.663 4.350 0.000 0.000 0.271 330 E C -0.391 176.253 176.600 0.074 0.000 0.919 330 E CA -0.440 55.991 56.400 0.050 0.000 0.760 330 E CB 1.044 30.772 29.700 0.047 0.000 1.106 330 E HN 0.716 nan 8.360 nan 0.000 0.408 331 T N 1.846 116.458 114.554 0.096 0.000 2.849 331 T HA 0.251 4.601 4.350 0.000 0.000 0.284 331 T C 0.065 174.827 174.700 0.104 0.000 1.004 331 T CA -0.833 61.342 62.100 0.124 0.000 1.021 331 T CB 1.315 70.306 68.868 0.205 0.000 1.013 331 T HN 0.338 nan 8.240 nan 0.000 0.527 332 Q N 0.514 120.377 119.800 0.106 0.000 2.327 332 Q HA 0.464 4.804 4.340 0.000 0.000 0.270 332 Q C 0.785 176.840 176.000 0.093 0.000 1.022 332 Q CA -0.105 55.752 55.803 0.091 0.000 0.773 332 Q CB 1.395 30.185 28.738 0.086 0.000 1.251 332 Q HN 1.336 nan 8.270 nan 0.000 0.457 333 G N 1.664 110.518 108.800 0.090 0.000 2.221 333 G HA2 -0.259 3.701 3.960 0.000 0.000 0.265 333 G HA3 -0.259 3.701 3.960 0.000 0.000 0.265 333 G C 0.788 175.758 174.900 0.117 0.000 1.041 333 G CA 0.685 45.839 45.100 0.091 0.000 0.807 333 G HN 1.257 nan 8.290 nan 0.000 0.502 334 G N -0.764 108.136 108.800 0.167 0.000 2.166 334 G HA2 -0.269 3.691 3.960 0.000 0.000 0.260 334 G HA3 -0.269 3.691 3.960 0.000 0.000 0.260 334 G C 0.289 175.305 174.900 0.195 0.000 0.986 334 G CA 1.021 46.300 45.100 0.298 0.000 0.683 334 G HN 1.366 nan 8.290 nan 0.000 0.527 335 D N 0.735 121.212 120.400 0.128 0.000 2.455 335 D HA 0.356 4.996 4.640 0.000 0.000 0.234 335 D C 1.957 178.293 176.300 0.060 0.000 1.224 335 D CA 0.334 54.376 54.000 0.070 0.000 0.999 335 D CB 0.385 41.227 40.800 0.071 0.000 1.072 335 D HN 0.528 nan 8.370 nan 0.000 0.514 336 V N 1.086 120.995 119.914 -0.008 0.000 3.078 336 V HA -0.089 4.031 4.120 0.000 0.000 0.265 336 V C 1.784 177.872 176.094 -0.009 0.000 1.122 336 V CA 0.988 63.268 62.300 -0.034 0.000 1.141 336 V CB -0.383 31.327 31.823 -0.188 0.000 0.735 336 V HN 0.276 nan 8.190 nan 0.000 0.498 337 S N 0.471 116.172 115.700 0.002 0.000 2.527 337 S HA 0.451 4.921 4.470 0.000 0.000 0.222 337 S C 1.341 175.977 174.600 0.060 0.000 0.985 337 S CA 0.417 58.630 58.200 0.022 0.000 0.921 337 S CB -0.284 62.926 63.200 0.016 0.000 0.772 337 S HN 0.897 nan 8.310 nan 0.000 0.529 338 A N 0.797 123.661 122.820 0.074 0.000 2.492 338 A HA 0.178 4.498 4.320 0.000 0.000 0.236 338 A C 0.941 178.614 177.584 0.148 0.000 1.078 338 A CA -0.119 51.987 52.037 0.116 0.000 0.773 338 A CB -0.260 18.811 19.000 0.117 0.000 1.023 338 A HN 0.372 nan 8.150 nan 0.000 0.504 339 Y N 1.619 121.943 120.300 0.040 0.000 2.030 339 Y HA -0.289 4.261 4.550 -0.000 0.000 0.272 339 Y C 1.845 177.747 175.900 0.003 0.000 1.185 339 Y CA 2.617 60.732 58.100 0.025 0.000 1.120 339 Y CB -0.173 38.310 38.460 0.039 0.000 0.955 339 Y HN 0.523 nan 8.280 nan 0.000 0.495 340 I N 0.062 120.538 120.570 -0.156 0.000 2.233 340 I HA -0.125 4.045 4.170 0.000 0.000 0.243 340 I C -0.434 175.630 176.117 -0.089 0.000 1.093 340 I CA 1.024 62.176 61.300 -0.247 0.000 1.380 340 I CB -2.747 35.115 38.000 -0.230 0.000 1.067 340 I HN 0.166 nan 8.210 nan 0.000 0.413 341 P HA -0.114 nan 4.420 nan 0.000 0.216 341 P C 1.765 179.067 177.300 0.003 0.000 1.153 341 P CA 1.767 64.870 63.100 0.005 0.000 0.858 341 P CB -0.178 31.545 31.700 0.039 0.000 0.789 342 T N -0.931 113.627 114.554 0.007 0.000 2.737 342 T HA -0.126 4.224 4.350 0.000 0.000 0.265 342 T C 1.670 176.390 174.700 0.034 0.000 1.038 342 T CA 1.339 63.450 62.100 0.019 0.000 1.144 342 T CB -1.052 67.837 68.868 0.035 0.000 0.866 342 T HN 0.076 nan 8.240 nan 0.000 0.434 343 N N 0.912 119.617 118.700 0.007 0.000 2.069 343 N HA -0.113 4.627 4.740 0.000 0.000 0.196 343 N C 1.780 177.375 175.510 0.141 0.000 1.024 343 N CA 1.049 54.167 53.050 0.113 0.000 0.869 343 N CB -0.654 37.827 38.487 -0.010 0.000 1.035 343 N HN 0.241 nan 8.380 nan 0.000 0.434 344 V N 0.415 120.350 119.914 0.035 0.000 2.725 344 V HA 0.024 4.144 4.120 0.000 0.000 0.247 344 V C 2.151 178.245 176.094 -0.000 0.000 1.058 344 V CA 0.557 62.845 62.300 -0.020 0.000 1.080 344 V CB -0.147 31.614 31.823 -0.104 0.000 0.713 344 V HN 0.191 nan 8.190 nan 0.000 0.465 345 I N 1.359 121.940 120.570 0.017 0.000 2.226 345 I HA -0.229 3.941 4.170 0.000 0.000 0.245 345 I C 2.679 178.820 176.117 0.038 0.000 1.100 345 I CA 1.874 63.186 61.300 0.021 0.000 1.374 345 I CB -0.355 37.653 38.000 0.014 0.000 1.057 345 I HN 0.468 nan 8.210 nan 0.000 0.413 346 S N 0.553 116.293 115.700 0.068 0.000 2.469 346 S HA -0.093 4.377 4.470 0.000 0.000 0.238 346 S C 1.822 176.496 174.600 0.123 0.000 0.998 346 S CA 0.881 59.141 58.200 0.100 0.000 0.957 346 S CB -0.598 62.684 63.200 0.136 0.000 0.764 346 S HN 0.444 nan 8.310 nan 0.000 0.514 347 I N 1.722 122.348 120.570 0.092 0.000 2.429 347 I HA 0.006 4.176 4.170 0.000 0.000 0.247 347 I C 1.816 177.943 176.117 0.017 0.000 1.099 347 I CA 0.888 62.216 61.300 0.047 0.000 1.422 347 I CB -0.617 37.353 38.000 -0.049 0.000 1.112 347 I HN 0.424 nan 8.210 nan 0.000 0.430 348 T N -1.602 112.954 114.554 0.002 0.000 2.698 348 T HA 0.042 4.392 4.350 0.000 0.000 0.295 348 T C 0.322 175.029 174.700 0.011 0.000 1.007 348 T CA -0.403 61.696 62.100 -0.001 0.000 0.980 348 T CB 0.575 69.438 68.868 -0.009 0.000 1.036 348 T HN 0.088 nan 8.240 nan 0.000 0.526 349 D N 0.595 121.000 120.400 0.009 0.000 2.722 349 D HA 0.433 5.074 4.640 0.000 0.000 0.239 349 D C 0.847 177.153 176.300 0.010 0.000 1.249 349 D CA 0.134 54.140 54.000 0.010 0.000 0.830 349 D CB -0.302 40.502 40.800 0.006 0.000 1.025 349 D HN 1.004 nan 8.370 nan 0.000 0.486 350 G N 0.721 109.529 108.800 0.013 0.000 2.340 350 G HA2 0.110 4.070 3.960 0.000 0.000 0.527 350 G HA3 0.110 4.070 3.960 0.000 0.000 0.527 350 G C -1.669 173.245 174.900 0.024 0.000 1.381 350 G CA -1.050 44.060 45.100 0.017 0.000 1.001 350 G HN 0.061 nan 8.290 nan 0.000 0.626 351 Q N -1.052 118.769 119.800 0.035 0.000 2.423 351 Q HA 0.770 5.110 4.340 0.000 0.000 0.278 351 Q C -0.309 175.733 176.000 0.071 0.000 1.097 351 Q CA -0.669 55.168 55.803 0.057 0.000 0.809 351 Q CB 2.450 31.235 28.738 0.078 0.000 1.391 351 Q HN 0.680 nan 8.270 nan 0.000 0.428 352 I N 1.531 122.148 120.570 0.078 0.000 2.359 352 I HA 0.361 4.531 4.170 0.000 0.000 0.284 352 I C -0.902 175.292 176.117 0.129 0.000 1.018 352 I CA -0.591 60.758 61.300 0.081 0.000 1.173 352 I CB 0.470 38.492 38.000 0.037 0.000 1.326 352 I HN 0.479 nan 8.210 nan 0.000 0.462 353 F N 7.356 127.309 119.950 0.006 0.000 2.410 353 F HA 0.538 5.065 4.527 0.000 0.000 0.348 353 F C -0.531 175.275 175.800 0.010 0.000 1.106 353 F CA -0.403 57.602 58.000 0.008 0.000 1.163 353 F CB 0.739 39.743 39.000 0.007 0.000 1.129 353 F HN 0.265 nan 8.300 nan 0.000 0.516 354 L N 6.412 127.205 121.223 -0.717 0.000 2.342 354 L HA 0.370 4.710 4.340 0.000 0.000 0.276 354 L C -0.869 175.617 176.870 -0.639 0.000 0.997 354 L CA -0.708 53.846 54.840 -0.476 0.000 0.838 354 L CB 1.565 43.489 42.059 -0.225 0.000 1.224 354 L HN 0.576 nan 8.230 nan 0.000 0.416 355 E N 1.885 121.850 120.200 -0.390 0.000 2.259 355 E HA 0.325 4.675 4.350 0.000 0.000 0.281 355 E C 0.704 177.197 176.600 -0.178 0.000 1.027 355 E CA -0.289 55.958 56.400 -0.254 0.000 0.838 355 E CB 2.028 31.694 29.700 -0.056 0.000 1.066 355 E HN 0.694 nan 8.360 nan 0.000 0.401 356 A N 3.982 126.685 122.820 -0.195 0.000 1.948 356 A HA -0.269 4.051 4.320 0.000 0.000 0.220 356 A C 1.862 179.023 177.584 -0.706 0.000 1.177 356 A CA 1.342 53.192 52.037 -0.311 0.000 0.636 356 A CB -0.337 18.530 19.000 -0.221 0.000 0.815 356 A HN 0.660 nan 8.150 nan 0.000 0.449 357 E N -0.049 119.867 120.200 -0.473 0.000 2.086 357 E HA -0.207 4.143 4.350 0.000 0.000 0.200 357 E C 1.928 178.368 176.600 -0.267 0.000 1.012 357 E CA 1.435 57.601 56.400 -0.389 0.000 0.812 357 E CB -0.386 29.231 29.700 -0.139 0.000 0.743 357 E HN 0.722 nan 8.360 nan 0.000 0.453 358 L N -0.552 120.578 121.223 -0.155 0.000 2.418 358 L HA -0.037 4.303 4.340 0.000 0.000 0.218 358 L C 2.263 179.110 176.870 -0.039 0.000 1.125 358 L CA 0.067 54.863 54.840 -0.074 0.000 0.835 358 L CB -0.232 41.792 42.059 -0.057 0.000 0.953 358 L HN 0.013 nan 8.230 nan 0.000 0.454 359 F N 0.204 120.048 119.950 -0.175 0.000 2.163 359 F HA -0.164 4.363 4.527 -0.000 0.000 0.297 359 F C 2.325 178.178 175.800 0.089 0.000 1.094 359 F CA 1.142 59.109 58.000 -0.056 0.000 1.290 359 F CB -0.234 38.740 39.000 -0.042 0.000 1.017 359 F HN -0.005 nan 8.300 nan 0.000 0.483 360 Y N 0.390 120.856 120.300 0.277 0.000 2.200 360 Y HA -0.062 4.488 4.550 -0.000 0.000 0.290 360 Y C 2.608 178.581 175.900 0.123 0.000 1.137 360 Y CA 1.157 59.361 58.100 0.174 0.000 1.163 360 Y CB -1.892 36.626 38.460 0.096 0.000 0.988 360 Y HN 0.055 nan 8.280 nan 0.000 0.518 361 K N 0.929 121.458 120.400 0.215 0.000 2.585 361 K HA 0.225 4.545 4.320 0.000 0.000 0.194 361 K C 1.807 178.456 176.600 0.082 0.000 1.037 361 K CA 0.895 57.254 56.287 0.120 0.000 0.964 361 K CB -1.690 30.850 32.500 0.067 0.000 0.787 361 K HN 0.695 nan 8.250 nan 0.000 0.488 362 G N 0.305 109.162 108.800 0.095 0.000 2.179 362 G HA2 -0.232 3.728 3.960 0.000 0.000 0.257 362 G HA3 -0.232 3.728 3.960 0.000 0.000 0.257 362 G C 0.315 175.165 174.900 -0.083 0.000 1.010 362 G CA 0.320 45.428 45.100 0.015 0.000 0.736 362 G HN 0.744 nan 8.290 nan 0.000 0.513 363 I N 1.011 121.524 120.570 -0.096 0.000 2.204 363 I HA 0.341 4.511 4.170 0.000 0.000 0.291 363 I C 0.723 176.717 176.117 -0.204 0.000 1.153 363 I CA -0.395 60.840 61.300 -0.108 0.000 1.546 363 I CB -0.121 37.849 38.000 -0.050 0.000 1.490 363 I HN 0.075 nan 8.210 nan 0.000 0.697 364 R N 4.627 124.956 120.500 -0.286 0.000 2.460 364 R HA 0.507 4.847 4.340 0.000 0.000 0.303 364 R C -2.611 173.562 176.300 -0.212 0.000 0.968 364 R CA -2.055 53.823 56.100 -0.370 0.000 0.889 364 R CB 0.142 30.036 30.300 -0.676 0.000 1.123 364 R HN 0.085 nan 8.270 nan 0.000 0.455 365 P HA -0.034 nan 4.420 nan 0.000 0.263 365 P C -0.592 176.616 177.300 -0.153 0.000 1.195 365 P CA 0.076 63.079 63.100 -0.163 0.000 0.762 365 P CB 0.741 32.383 31.700 -0.096 0.000 0.799 366 A N 5.513 128.224 122.820 -0.181 0.000 3.118 366 A HA 0.252 4.572 4.320 0.000 0.000 0.256 366 A C 0.620 178.151 177.584 -0.088 0.000 1.667 366 A CA -0.500 51.451 52.037 -0.143 0.000 1.338 366 A CB -1.180 17.727 19.000 -0.155 0.000 1.127 366 A HN 0.501 nan 8.150 nan 0.000 0.634 367 I N 1.005 121.545 120.570 -0.050 0.000 2.441 367 I HA 0.052 4.222 4.170 0.000 0.000 0.287 367 I C 0.384 176.524 176.117 0.039 0.000 1.049 367 I CA -0.441 60.855 61.300 -0.006 0.000 1.381 367 I CB 0.860 38.865 38.000 0.008 0.000 1.409 367 I HN 0.372 nan 8.210 nan 0.000 0.523 368 N N 6.059 124.821 118.700 0.102 0.000 2.482 368 N HA 0.108 4.848 4.740 0.000 0.000 0.242 368 N C 0.738 176.320 175.510 0.120 0.000 1.100 368 N CA -0.082 53.060 53.050 0.153 0.000 0.946 368 N CB 1.127 39.806 38.487 0.320 0.000 1.227 368 N HN 0.417 nan 8.380 nan 0.000 0.508 369 V N 3.247 123.213 119.914 0.086 0.000 2.324 369 V HA -0.220 3.900 4.120 0.000 0.000 0.250 369 V C 2.290 178.421 176.094 0.062 0.000 1.060 369 V CA 2.347 64.691 62.300 0.073 0.000 1.042 369 V CB -1.061 30.809 31.823 0.078 0.000 0.650 369 V HN 0.747 nan 8.190 nan 0.000 0.450 370 G N -0.624 108.211 108.800 0.057 0.000 2.459 370 G HA2 -0.228 3.732 3.960 0.000 0.000 0.217 370 G HA3 -0.228 3.732 3.960 0.000 0.000 0.217 370 G C 1.483 176.394 174.900 0.020 0.000 1.183 370 G CA 0.832 45.952 45.100 0.033 0.000 0.776 370 G HN 0.485 nan 8.290 nan 0.000 0.552 371 L N 0.868 122.107 121.223 0.028 0.000 2.591 371 L HA 0.225 4.565 4.340 0.000 0.000 0.228 371 L C 0.247 177.135 176.870 0.029 0.000 1.133 371 L CA -0.190 54.640 54.840 -0.017 0.000 0.880 371 L CB 0.236 42.221 42.059 -0.123 0.000 1.033 371 L HN 0.066 nan 8.230 nan 0.000 0.450 372 S N -0.391 115.346 115.700 0.062 0.000 2.503 372 S HA 0.697 5.167 4.470 0.000 0.000 0.301 372 S C -0.473 174.153 174.600 0.043 0.000 1.087 372 S CA -0.612 57.630 58.200 0.070 0.000 1.042 372 S CB 2.335 65.591 63.200 0.094 0.000 1.043 372 S HN 0.014 nan 8.310 nan 0.000 0.489 373 V N -0.486 119.449 119.914 0.036 0.000 3.216 373 V HA 0.855 4.975 4.120 0.000 0.000 0.302 373 V C -0.551 175.556 176.094 0.021 0.000 1.286 373 V CA -0.907 61.408 62.300 0.025 0.000 1.048 373 V CB 1.793 33.626 31.823 0.017 0.000 1.081 373 V HN 0.739 nan 8.190 nan 0.000 0.442 374 S N 0.964 116.673 115.700 0.015 0.000 2.532 374 S HA 0.448 4.918 4.470 0.000 0.000 0.318 374 S C 0.825 175.429 174.600 0.007 0.000 1.083 374 S CA -0.572 57.633 58.200 0.009 0.000 1.131 374 S CB 0.772 63.975 63.200 0.004 0.000 0.973 374 S HN 0.814 nan 8.310 nan 0.000 0.468 375 R N 2.807 123.312 120.500 0.008 0.000 2.139 375 R HA -0.092 4.248 4.340 0.000 0.000 0.243 375 R C 1.793 178.096 176.300 0.006 0.000 1.145 375 R CA 1.808 57.913 56.100 0.008 0.000 0.976 375 R CB -0.435 29.871 30.300 0.010 0.000 0.866 375 R HN 0.633 nan 8.270 nan 0.000 0.449 376 V N -0.252 119.664 119.914 0.003 0.000 2.261 376 V HA -0.152 3.968 4.120 0.000 0.000 0.246 376 V C 1.733 177.828 176.094 0.002 0.000 1.047 376 V CA 1.876 64.177 62.300 0.001 0.000 1.015 376 V CB -0.928 30.891 31.823 -0.007 0.000 0.642 376 V HN 0.796 nan 8.190 nan 0.000 0.446 377 G N -0.533 108.268 108.800 0.001 0.000 2.531 377 G HA2 -0.384 3.576 3.960 0.000 0.000 0.274 377 G HA3 -0.384 3.576 3.960 0.000 0.000 0.274 377 G C 1.046 175.947 174.900 0.002 0.000 1.159 377 G CA 0.507 45.609 45.100 0.003 0.000 0.969 377 G HN 0.333 nan 8.290 nan 0.000 0.554 378 S N 0.687 116.389 115.700 0.004 0.000 2.387 378 S HA -0.032 4.438 4.470 0.000 0.000 0.230 378 S C 2.845 177.448 174.600 0.006 0.000 1.035 378 S CA 2.328 60.532 58.200 0.005 0.000 1.014 378 S CB -0.752 62.452 63.200 0.007 0.000 0.836 378 S HN 1.738 nan 8.310 nan 0.000 0.466 379 A N 0.642 123.467 122.820 0.009 0.000 1.986 379 A HA 0.015 4.335 4.320 0.000 0.000 0.220 379 A C 1.928 179.520 177.584 0.013 0.000 1.171 379 A CA 1.791 53.840 52.037 0.020 0.000 0.640 379 A CB -0.587 18.430 19.000 0.029 0.000 0.811 379 A HN 0.573 nan 8.150 nan 0.000 0.451 380 A N -1.664 121.150 122.820 -0.010 0.000 2.423 380 A HA 0.399 4.719 4.320 0.000 0.000 0.246 380 A C 0.676 178.236 177.584 -0.040 0.000 1.278 380 A CA -0.021 51.992 52.037 -0.039 0.000 0.903 380 A CB -0.108 18.861 19.000 -0.051 0.000 0.997 380 A HN 0.577 nan 8.150 nan 0.000 0.510 381 Q N 0.050 119.838 119.800 -0.019 0.000 2.235 381 Q HA 0.515 4.855 4.340 0.000 0.000 0.256 381 Q C -0.817 175.176 176.000 -0.011 0.000 0.951 381 Q CA -0.563 55.232 55.803 -0.013 0.000 0.890 381 Q CB 1.751 30.489 28.738 0.000 0.000 1.279 381 Q HN 0.146 nan 8.270 nan 0.000 0.444 382 V N 4.591 124.499 119.914 -0.010 0.000 2.557 382 V HA -0.121 3.999 4.120 0.000 0.000 0.301 382 V C 1.444 177.543 176.094 0.007 0.000 1.026 382 V CA 0.684 62.983 62.300 -0.002 0.000 1.137 382 V CB 0.766 32.593 31.823 0.007 0.000 0.917 382 V HN 0.899 nan 8.190 nan 0.000 0.484 383 K N 4.654 125.059 120.400 0.007 0.000 2.089 383 K HA -0.248 4.072 4.320 0.000 0.000 0.210 383 K C 2.064 178.674 176.600 0.016 0.000 1.048 383 K CA 1.921 58.215 56.287 0.011 0.000 0.926 383 K CB -0.240 32.265 32.500 0.009 0.000 0.714 383 K HN 0.866 nan 8.250 nan 0.000 0.448 384 A N 0.536 123.364 122.820 0.014 0.000 1.978 384 A HA -0.165 4.155 4.320 0.000 0.000 0.220 384 A C 2.002 179.605 177.584 0.031 0.000 1.170 384 A CA 1.376 53.423 52.037 0.017 0.000 0.636 384 A CB -0.456 18.548 19.000 0.008 0.000 0.810 384 A HN 0.349 nan 8.150 nan 0.000 0.448 385 L N -0.314 120.928 121.223 0.031 0.000 2.068 385 L HA -0.007 4.333 4.340 0.000 0.000 0.204 385 L C 2.339 179.235 176.870 0.044 0.000 1.076 385 L CA 2.247 57.111 54.840 0.040 0.000 0.753 385 L CB -0.491 41.588 42.059 0.033 0.000 0.910 385 L HN 0.459 nan 8.230 nan 0.000 0.439 386 K N -0.790 119.629 120.400 0.032 0.000 2.113 386 K HA -0.272 4.048 4.320 0.000 0.000 0.208 386 K C 1.993 178.617 176.600 0.040 0.000 1.047 386 K CA 1.938 58.244 56.287 0.031 0.000 0.928 386 K CB -0.103 32.410 32.500 0.021 0.000 0.716 386 K HN 0.494 nan 8.250 nan 0.000 0.446 387 Q N 0.010 119.837 119.800 0.045 0.000 2.084 387 Q HA -0.118 4.222 4.340 0.000 0.000 0.202 387 Q C 1.882 177.935 176.000 0.089 0.000 0.978 387 Q CA 1.805 57.643 55.803 0.058 0.000 0.844 387 Q CB 0.085 28.855 28.738 0.052 0.000 0.898 387 Q HN 0.396 nan 8.270 nan 0.000 0.426 388 V N -3.961 116.017 119.914 0.106 0.000 3.514 388 V HA 0.472 4.592 4.120 0.000 0.000 0.301 388 V C 0.776 176.936 176.094 0.110 0.000 1.346 388 V CA 0.627 63.019 62.300 0.153 0.000 1.156 388 V CB 0.353 32.306 31.823 0.217 0.000 1.029 388 V HN 0.180 nan 8.190 nan 0.000 0.428 389 A N -0.235 122.635 122.820 0.082 0.000 2.622 389 A HA 0.629 4.949 4.320 0.000 0.000 0.283 389 A C 1.688 179.307 177.584 0.058 0.000 0.998 389 A CA 0.461 52.542 52.037 0.074 0.000 0.985 389 A CB -0.113 18.925 19.000 0.064 0.000 1.236 389 A HN 0.549 nan 8.150 nan 0.000 0.559 390 G N 1.298 110.126 108.800 0.047 0.000 2.469 390 G HA2 -0.263 3.697 3.960 0.000 0.000 0.219 390 G HA3 -0.263 3.697 3.960 0.000 0.000 0.219 390 G C 1.810 176.711 174.900 0.002 0.000 1.150 390 G CA 1.929 47.042 45.100 0.021 0.000 0.763 390 G HN 1.077 nan 8.290 nan 0.000 0.561 391 S N -0.163 115.539 115.700 0.003 0.000 2.481 391 S HA 0.091 4.561 4.470 0.000 0.000 0.231 391 S C 2.166 176.778 174.600 0.020 0.000 0.996 391 S CA 0.936 59.090 58.200 -0.076 0.000 0.942 391 S CB -0.071 63.035 63.200 -0.158 0.000 0.768 391 S HN 0.152 nan 8.310 nan 0.000 0.520 392 L N 1.862 123.151 121.223 0.110 0.000 2.005 392 L HA 0.183 4.523 4.340 0.000 0.000 0.207 392 L C 2.446 179.398 176.870 0.137 0.000 1.072 392 L CA 1.767 56.709 54.840 0.170 0.000 0.744 392 L CB -0.832 41.298 42.059 0.117 0.000 0.895 392 L HN 0.120 nan 8.230 nan 0.000 0.433 393 K N -0.562 119.887 120.400 0.081 0.000 2.280 393 K HA -0.115 4.205 4.320 0.000 0.000 0.202 393 K C 1.941 178.585 176.600 0.073 0.000 1.047 393 K CA 0.920 57.249 56.287 0.070 0.000 0.942 393 K CB -0.149 32.378 32.500 0.045 0.000 0.739 393 K HN 0.339 nan 8.250 nan 0.000 0.457 394 L N -0.792 120.466 121.223 0.058 0.000 2.200 394 L HA -0.053 4.287 4.340 0.000 0.000 0.200 394 L C 1.990 178.918 176.870 0.097 0.000 1.072 394 L CA 0.649 55.509 54.840 0.033 0.000 0.787 394 L CB -0.462 41.570 42.059 -0.044 0.000 0.957 394 L HN 0.002 nan 8.230 nan 0.000 0.459 395 F N 1.086 121.054 119.950 0.030 0.000 2.063 395 F HA -0.329 4.198 4.527 -0.000 0.000 0.298 395 F C 2.532 178.383 175.800 0.086 0.000 1.105 395 F CA 1.806 59.828 58.000 0.037 0.000 1.215 395 F CB -0.739 38.262 39.000 0.002 0.000 0.972 395 F HN 0.020 nan 8.300 nan 0.000 0.483 396 L N -1.465 119.938 121.223 0.299 0.000 2.156 396 L HA -0.144 4.196 4.340 0.000 0.000 0.208 396 L C 2.595 179.604 176.870 0.231 0.000 1.095 396 L CA 0.914 55.909 54.840 0.259 0.000 0.770 396 L CB -0.926 41.237 42.059 0.172 0.000 0.914 396 L HN 0.130 nan 8.230 nan 0.000 0.439 397 A N -0.200 122.713 122.820 0.155 0.000 1.858 397 A HA -0.251 4.069 4.320 0.000 0.000 0.216 397 A C 2.203 179.841 177.584 0.090 0.000 1.190 397 A CA 1.527 53.622 52.037 0.098 0.000 0.617 397 A CB -0.527 18.513 19.000 0.066 0.000 0.827 397 A HN 0.409 nan 8.150 nan 0.000 0.443 398 Q N -1.790 118.079 119.800 0.115 0.000 2.061 398 Q HA -0.245 4.095 4.340 0.000 0.000 0.204 398 Q C 2.039 178.114 176.000 0.124 0.000 0.984 398 Q CA 2.054 57.921 55.803 0.107 0.000 0.846 398 Q CB -0.476 28.332 28.738 0.117 0.000 0.902 398 Q HN 0.868 nan 8.270 nan 0.000 0.421 399 Y N 0.900 121.249 120.300 0.082 0.000 2.165 399 Y HA -0.310 4.240 4.550 -0.000 0.000 0.286 399 Y C 2.497 178.416 175.900 0.031 0.000 1.155 399 Y CA 2.431 60.564 58.100 0.055 0.000 1.164 399 Y CB -0.620 37.864 38.460 0.041 0.000 0.978 399 Y HN 0.030 nan 8.280 nan 0.000 0.513 400 R N 0.702 120.986 120.500 -0.361 0.000 2.081 400 R HA -0.098 4.242 4.340 0.000 0.000 0.235 400 R C 2.173 178.319 176.300 -0.256 0.000 1.131 400 R CA 2.261 58.108 56.100 -0.422 0.000 0.960 400 R CB -2.137 28.066 30.300 -0.162 0.000 0.856 400 R HN 0.694 nan 8.270 nan 0.000 0.436 401 E N 0.153 120.275 120.200 -0.129 0.000 2.204 401 E HA 0.068 4.418 4.350 0.000 0.000 0.194 401 E C 2.060 178.614 176.600 -0.076 0.000 0.989 401 E CA 1.273 57.627 56.400 -0.076 0.000 0.824 401 E CB -0.380 29.302 29.700 -0.030 0.000 0.756 401 E HN 0.472 nan 8.360 nan 0.000 0.477 402 V N -0.153 119.708 119.914 -0.088 0.000 3.608 402 V HA 0.277 4.397 4.120 0.000 0.000 0.269 402 V C 2.538 178.572 176.094 -0.099 0.000 1.245 402 V CA 0.905 63.175 62.300 -0.050 0.000 1.138 402 V CB 0.172 32.012 31.823 0.028 0.000 0.841 402 V HN 0.599 nan 8.190 nan 0.000 0.451 403 A N 0.386 123.064 122.820 -0.236 0.000 2.208 403 A HA 0.339 4.659 4.320 0.000 0.000 0.209 403 A C 1.941 179.451 177.584 -0.123 0.000 1.161 403 A CA 0.950 52.842 52.037 -0.242 0.000 0.782 403 A CB -0.187 18.528 19.000 -0.475 0.000 0.816 403 A HN 0.518 nan 8.150 nan 0.000 0.477 404 A N -1.955 120.807 122.820 -0.096 0.000 2.412 404 A HA 0.486 4.806 4.320 0.000 0.000 0.253 404 A C 0.535 178.100 177.584 -0.032 0.000 1.334 404 A CA 0.691 52.696 52.037 -0.054 0.000 0.929 404 A CB -1.146 17.826 19.000 -0.046 0.000 0.983 404 A HN 1.281 nan 8.150 nan 0.000 0.508 405 F N -2.165 117.768 119.950 -0.029 0.000 2.548 405 F HA 0.599 5.126 4.527 0.000 0.000 0.379 405 F C 0.898 176.697 175.800 -0.003 0.000 1.380 405 F CA 0.146 58.139 58.000 -0.011 0.000 1.095 405 F CB -0.685 38.311 39.000 -0.007 0.000 1.270 405 F HN 0.527 nan 8.300 nan 0.000 0.509 406 A N -0.248 122.570 122.820 -0.003 0.000 2.302 406 A HA 0.479 4.799 4.320 0.000 0.000 0.219 406 A C 0.736 178.326 177.584 0.011 0.000 1.243 406 A CA 0.428 52.471 52.037 0.010 0.000 0.856 406 A CB -0.287 18.722 19.000 0.016 0.000 0.893 406 A HN 0.672 nan 8.150 nan 0.000 0.491 411 D N 1.738 122.141 120.400 0.004 0.000 2.502 411 D HA 0.630 5.270 4.640 0.000 0.000 0.301 411 D C -1.359 174.944 176.300 0.005 0.000 1.202 411 D CA 0.164 54.166 54.000 0.004 0.000 0.878 411 D CB 0.607 41.409 40.800 0.003 0.000 1.062 411 D HN 0.464 nan 8.370 nan 0.000 0.499 412 L N 1.258 122.485 121.223 0.006 0.000 2.470 412 L HA 0.411 4.751 4.340 0.000 0.000 0.268 412 L C 0.193 177.068 176.870 0.008 0.000 0.964 412 L CA -1.174 53.671 54.840 0.008 0.000 0.839 412 L CB 2.073 44.139 42.059 0.012 0.000 1.276 412 L HN 0.047 nan 8.230 nan 0.000 0.403 413 D N 2.182 122.587 120.400 0.008 0.000 2.354 413 D HA 0.040 4.680 4.640 0.000 0.000 0.238 413 D C 1.071 177.375 176.300 0.008 0.000 1.250 413 D CA -0.005 53.999 54.000 0.007 0.000 0.911 413 D CB 1.444 42.248 40.800 0.007 0.000 1.163 413 D HN 0.608 nan 8.370 nan 0.000 0.456 414 A N 0.742 123.565 122.820 0.005 0.000 1.978 414 A HA -0.199 4.121 4.320 0.000 0.000 0.220 414 A C 2.318 179.907 177.584 0.008 0.000 1.170 414 A CA 1.899 53.938 52.037 0.003 0.000 0.636 414 A CB -0.710 18.290 19.000 -0.000 0.000 0.810 414 A HN 0.564 nan 8.150 nan 0.000 0.448 415 S N -0.304 115.404 115.700 0.013 0.000 2.378 415 S HA -0.185 4.285 4.470 0.000 0.000 0.221 415 S C 2.140 176.759 174.600 0.031 0.000 1.037 415 S CA 2.612 60.825 58.200 0.022 0.000 1.069 415 S CB -0.657 62.557 63.200 0.022 0.000 1.006 415 S HN 0.833 nan 8.310 nan 0.000 0.423 416 T N -0.947 113.626 114.554 0.031 0.000 3.118 416 T HA 0.236 4.586 4.350 0.000 0.000 0.260 416 T C 1.681 176.403 174.700 0.037 0.000 1.139 416 T CA 1.244 63.368 62.100 0.041 0.000 1.085 416 T CB -0.374 68.516 68.868 0.037 0.000 0.934 416 T HN 0.490 nan 8.240 nan 0.000 0.518 417 K N 1.251 121.664 120.400 0.021 0.000 2.062 417 K HA 0.081 4.401 4.320 0.000 0.000 0.205 417 K C 2.225 178.825 176.600 -0.000 0.000 1.051 417 K CA 1.383 57.676 56.287 0.011 0.000 0.941 417 K CB -1.029 31.472 32.500 0.002 0.000 0.719 417 K HN 0.453 nan 8.250 nan 0.000 0.440 418 Q N 0.547 120.344 119.800 -0.005 0.000 2.123 418 Q HA -0.047 4.293 4.340 0.000 0.000 0.199 418 Q C 2.241 178.216 176.000 -0.041 0.000 0.966 418 Q CA 2.353 58.138 55.803 -0.031 0.000 0.845 418 Q CB -0.694 28.029 28.738 -0.025 0.000 0.907 418 Q HN 0.613 nan 8.270 nan 0.000 0.439 419 T N 0.431 114.993 114.554 0.012 0.000 2.665 419 T HA -0.203 4.147 4.350 0.000 0.000 0.268 419 T C 2.073 176.801 174.700 0.048 0.000 1.035 419 T CA 2.314 64.442 62.100 0.046 0.000 1.151 419 T CB -1.016 67.925 68.868 0.122 0.000 0.862 419 T HN 0.409 nan 8.240 nan 0.000 0.438 420 L N 0.918 122.189 121.223 0.081 0.000 2.046 420 L HA 0.057 4.397 4.340 0.000 0.000 0.208 420 L C 2.937 179.802 176.870 -0.008 0.000 1.077 420 L CA 1.650 56.569 54.840 0.132 0.000 0.747 420 L CB -1.789 40.334 42.059 0.107 0.000 0.896 420 L HN 0.349 nan 8.230 nan 0.000 0.432 421 V N -0.642 119.232 119.914 -0.067 0.000 2.283 421 V HA -0.210 3.910 4.120 0.000 0.000 0.243 421 V C 2.867 178.832 176.094 -0.216 0.000 1.039 421 V CA 1.958 64.188 62.300 -0.117 0.000 1.016 421 V CB -0.557 31.209 31.823 -0.094 0.000 0.650 421 V HN 0.820 nan 8.190 nan 0.000 0.449 422 R N 1.177 121.522 120.500 -0.259 0.000 2.103 422 R HA -0.126 4.214 4.340 0.000 0.000 0.242 422 R C 2.159 178.163 176.300 -0.494 0.000 1.142 422 R CA 2.091 57.968 56.100 -0.372 0.000 0.960 422 R CB -1.367 28.668 30.300 -0.443 0.000 0.858 422 R HN 0.459 nan 8.270 nan 0.000 0.439 423 G N 0.230 108.650 108.800 -0.634 0.000 2.545 423 G HA2 -0.315 3.645 3.960 0.000 0.000 0.217 423 G HA3 -0.315 3.645 3.960 0.000 0.000 0.217 423 G C 1.264 175.647 174.900 -0.862 0.000 1.218 423 G CA 0.987 45.418 45.100 -1.116 0.000 0.787 423 G HN 0.507 nan 8.290 nan 0.000 0.571 424 E N -0.012 119.813 120.200 -0.625 0.000 2.130 424 E HA -0.168 4.182 4.350 0.000 0.000 0.196 424 E C 2.758 179.239 176.600 -0.199 0.000 0.998 424 E CA 0.947 57.188 56.400 -0.265 0.000 0.806 424 E CB -0.069 29.571 29.700 -0.101 0.000 0.738 424 E HN 0.300 nan 8.360 nan 0.000 0.459 425 R N 0.097 120.460 120.500 -0.228 0.000 2.090 425 R HA -0.031 4.309 4.340 0.000 0.000 0.228 425 R C 2.318 178.510 176.300 -0.179 0.000 1.110 425 R CA 0.702 56.689 56.100 -0.187 0.000 0.973 425 R CB -0.126 30.048 30.300 -0.210 0.000 0.869 425 R HN 0.137 nan 8.270 nan 0.000 0.440 426 L N -0.279 120.805 121.223 -0.232 0.000 2.046 426 L HA -0.175 4.165 4.340 0.000 0.000 0.208 426 L C 2.074 178.872 176.870 -0.121 0.000 1.077 426 L CA 1.483 56.214 54.840 -0.181 0.000 0.747 426 L CB -0.557 41.365 42.059 -0.229 0.000 0.896 426 L HN 0.272 nan 8.230 nan 0.000 0.432 427 T N -1.456 113.015 114.554 -0.137 0.000 2.720 427 T HA -0.275 4.075 4.350 0.000 0.000 0.268 427 T C 1.788 176.464 174.700 -0.041 0.000 1.037 427 T CA 1.399 63.465 62.100 -0.057 0.000 1.144 427 T CB -0.169 68.691 68.868 -0.015 0.000 0.864 427 T HN 0.184 nan 8.240 nan 0.000 0.444 428 Q N 0.833 120.600 119.800 -0.055 0.000 2.046 428 Q HA 0.081 4.421 4.340 0.000 0.000 0.200 428 Q C 2.148 178.135 176.000 -0.022 0.000 0.975 428 Q CA 1.273 57.056 55.803 -0.033 0.000 0.836 428 Q CB -0.765 27.950 28.738 -0.038 0.000 0.896 428 Q HN 0.466 nan 8.270 nan 0.000 0.428 429 L N -0.305 120.899 121.223 -0.031 0.000 2.081 429 L HA -0.197 4.143 4.340 0.000 0.000 0.212 429 L C 1.866 178.738 176.870 0.002 0.000 1.080 429 L CA 1.124 55.962 54.840 -0.003 0.000 0.754 429 L CB -0.215 41.837 42.059 -0.012 0.000 0.893 429 L HN 0.339 nan 8.230 nan 0.000 0.433 430 L N -1.168 120.048 121.223 -0.013 0.000 2.509 430 L HA -0.010 4.330 4.340 0.000 0.000 0.222 430 L C 1.033 177.890 176.870 -0.022 0.000 1.123 430 L CA -0.011 54.823 54.840 -0.011 0.000 0.856 430 L CB -0.219 41.834 42.059 -0.009 0.000 0.985 430 L HN 0.103 nan 8.230 nan 0.000 0.456 431 K N 1.249 121.634 120.400 -0.026 0.000 2.440 431 K HA 0.118 4.438 4.320 0.000 0.000 0.270 431 K C -0.040 176.542 176.600 -0.030 0.000 0.980 431 K CA 0.539 56.801 56.287 -0.041 0.000 0.953 431 K CB 0.427 32.908 32.500 -0.032 0.000 0.925 431 K HN -0.016 nan 8.250 nan 0.000 0.497 432 Q N 1.590 121.362 119.800 -0.047 0.000 2.378 432 Q HA 0.120 4.460 4.340 0.000 0.000 0.262 432 Q C -1.530 174.443 176.000 -0.045 0.000 0.978 432 Q CA -0.723 55.060 55.803 -0.033 0.000 0.918 432 Q CB 1.163 29.880 28.738 -0.035 0.000 1.415 432 Q HN 0.517 nan 8.270 nan 0.000 0.409 433 N N 2.703 121.394 118.700 -0.015 0.000 2.454 433 N HA -0.011 4.729 4.740 0.000 0.000 0.254 433 N C -0.472 175.018 175.510 -0.033 0.000 1.228 433 N CA 0.180 53.227 53.050 -0.004 0.000 0.900 433 N CB 0.738 39.249 38.487 0.039 0.000 1.089 433 N HN 0.597 nan 8.380 nan 0.000 0.449 434 Q N 0.681 120.438 119.800 -0.073 0.000 2.421 434 Q HA -0.057 4.283 4.340 0.000 0.000 0.255 434 Q C -0.415 175.517 176.000 -0.113 0.000 1.013 434 Q CA 0.067 55.718 55.803 -0.253 0.000 0.895 434 Q CB 0.228 28.673 28.738 -0.490 0.000 1.271 434 Q HN 0.601 nan 8.270 nan 0.000 0.460 435 Y N -0.516 119.773 120.300 -0.017 0.000 4.729 435 Y HA -0.243 4.307 4.550 0.000 0.000 0.239 435 Y C -0.239 175.687 175.900 0.044 0.000 1.043 435 Y CA 0.910 58.996 58.100 -0.023 0.000 2.045 435 Y CB -2.005 36.471 38.460 0.026 0.000 1.599 435 Y HN 0.408 nan 8.280 nan 0.000 0.655 436 S N 0.608 116.373 115.700 0.108 0.000 2.128 436 S HA 0.359 4.829 4.470 0.000 0.000 0.157 436 S C -2.597 172.029 174.600 0.044 0.000 1.650 436 S CA -0.918 57.335 58.200 0.089 0.000 1.269 436 S CB 1.212 64.458 63.200 0.077 0.000 1.227 436 S HN 0.049 nan 8.310 nan 0.000 0.405 437 P HA 0.311 nan 4.420 nan 0.000 0.282 437 P C -0.401 176.910 177.300 0.018 0.000 1.262 437 P CA -0.402 62.713 63.100 0.026 0.000 0.773 437 P CB 0.767 32.489 31.700 0.036 0.000 0.879 438 L N 2.327 123.558 121.223 0.013 0.000 2.418 438 L HA 0.481 4.821 4.340 0.000 0.000 0.265 438 L C 1.006 177.878 176.870 0.004 0.000 1.143 438 L CA -0.755 54.086 54.840 0.002 0.000 0.809 438 L CB 0.842 42.903 42.059 0.002 0.000 1.124 438 L HN 0.412 nan 8.230 nan 0.000 0.456 439 A N 1.703 124.511 122.820 -0.020 0.000 2.340 439 A HA 0.276 4.596 4.320 0.000 0.000 0.268 439 A C 1.117 178.705 177.584 0.008 0.000 1.100 439 A CA -0.297 51.729 52.037 -0.019 0.000 0.803 439 A CB 0.770 19.728 19.000 -0.069 0.000 1.043 439 A HN 0.867 nan 8.150 nan 0.000 0.488 440 T N 0.863 115.445 114.554 0.047 0.000 2.699 440 T HA -0.171 4.179 4.350 0.000 0.000 0.268 440 T C 1.840 176.545 174.700 0.010 0.000 1.036 440 T CA 2.054 64.180 62.100 0.044 0.000 1.147 440 T CB -0.211 68.701 68.868 0.072 0.000 0.862 440 T HN 0.879 nan 8.240 nan 0.000 0.446 441 E N 1.629 121.824 120.200 -0.009 0.000 2.204 441 E HA -0.177 4.173 4.350 0.000 0.000 0.194 441 E C 1.651 178.209 176.600 -0.070 0.000 0.989 441 E CA 1.147 57.523 56.400 -0.040 0.000 0.824 441 E CB -0.348 29.322 29.700 -0.051 0.000 0.756 441 E HN 0.623 nan 8.360 nan 0.000 0.477 442 E N 0.722 120.882 120.200 -0.067 0.000 2.216 442 E HA -0.082 4.268 4.350 0.000 0.000 0.192 442 E C 2.247 178.815 176.600 -0.053 0.000 0.988 442 E CA 0.499 56.847 56.400 -0.088 0.000 0.834 442 E CB -0.007 29.647 29.700 -0.077 0.000 0.772 442 E HN 0.386 nan 8.360 nan 0.000 0.479 443 Q N 0.611 120.401 119.800 -0.017 0.000 1.990 443 Q HA -0.122 4.218 4.340 0.000 0.000 0.200 443 Q C 2.695 178.717 176.000 0.036 0.000 0.980 443 Q CA 1.727 57.540 55.803 0.015 0.000 0.832 443 Q CB -0.326 28.427 28.738 0.025 0.000 0.897 443 Q HN 0.294 nan 8.270 nan 0.000 0.427 444 V N 0.439 120.370 119.914 0.028 0.000 2.392 444 V HA -0.130 3.990 4.120 0.000 0.000 0.249 444 V C -0.840 175.313 176.094 0.098 0.000 1.059 444 V CA 1.622 63.956 62.300 0.057 0.000 1.051 444 V CB -1.699 30.145 31.823 0.034 0.000 0.658 444 V HN 0.212 nan 8.190 nan 0.000 0.455 445 P HA -0.101 nan 4.420 nan 0.000 0.216 445 P C 2.197 179.675 177.300 0.296 0.000 1.153 445 P CA 1.524 64.699 63.100 0.126 0.000 0.844 445 P CB -0.073 31.574 31.700 -0.088 0.000 0.787 446 L N -0.818 120.531 121.223 0.211 0.000 1.990 446 L HA -0.202 4.138 4.340 0.000 0.000 0.213 446 L C 2.797 179.785 176.870 0.197 0.000 1.072 446 L CA 1.658 56.647 54.840 0.249 0.000 0.755 446 L CB -0.825 41.323 42.059 0.148 0.000 0.889 446 L HN -0.143 nan 8.230 nan 0.000 0.432 447 I N -1.802 118.855 120.570 0.146 0.000 2.252 447 I HA -0.348 3.822 4.170 0.000 0.000 0.245 447 I C 2.435 178.627 176.117 0.126 0.000 1.102 447 I CA 1.270 62.635 61.300 0.110 0.000 1.385 447 I CB -0.348 37.707 38.000 0.092 0.000 1.064 447 I HN 0.202 nan 8.210 nan 0.000 0.414 448 Y N 1.655 121.991 120.300 0.061 0.000 2.241 448 Y HA -0.342 4.208 4.550 0.000 0.000 0.286 448 Y C 2.343 178.267 175.900 0.041 0.000 1.166 448 Y CA 1.379 59.509 58.100 0.050 0.000 1.203 448 Y CB -0.281 38.202 38.460 0.038 0.000 0.977 448 Y HN 0.157 nan 8.280 nan 0.000 0.529 449 A N 0.215 123.095 122.820 0.101 0.000 1.825 449 A HA -0.058 4.262 4.320 0.000 0.000 0.214 449 A C 2.557 180.100 177.584 -0.067 0.000 1.206 449 A CA 1.718 53.749 52.037 -0.010 0.000 0.609 449 A CB -1.756 17.307 19.000 0.105 0.000 0.851 449 A HN 0.554 nan 8.150 nan 0.000 0.445 450 G N -0.540 108.220 108.800 -0.066 0.000 2.513 450 G HA2 -0.222 3.738 3.960 0.000 0.000 0.219 450 G HA3 -0.222 3.738 3.960 0.000 0.000 0.219 450 G C 1.535 176.348 174.900 -0.145 0.000 1.160 450 G CA 1.522 46.547 45.100 -0.126 0.000 0.767 450 G HN 0.355 nan 8.290 nan 0.000 0.571 451 V N 1.481 121.332 119.914 -0.106 0.000 2.324 451 V HA -0.189 3.931 4.120 0.000 0.000 0.250 451 V C 2.139 178.178 176.094 -0.091 0.000 1.060 451 V CA 1.925 64.180 62.300 -0.076 0.000 1.042 451 V CB -0.340 31.475 31.823 -0.014 0.000 0.650 451 V HN 0.431 nan 8.190 nan 0.000 0.450 452 N N -0.303 118.303 118.700 -0.156 0.000 2.322 452 N HA 0.110 4.850 4.740 0.000 0.000 0.194 452 N C 1.412 176.878 175.510 -0.073 0.000 1.126 452 N CA 0.914 53.897 53.050 -0.113 0.000 0.845 452 N CB 0.920 39.264 38.487 -0.239 0.000 0.976 452 N HN 0.601 nan 8.380 nan 0.000 0.475 453 G N 1.057 109.790 108.800 -0.112 0.000 2.153 453 G HA2 -0.290 3.670 3.960 0.000 0.000 0.252 453 G HA3 -0.290 3.670 3.960 0.000 0.000 0.252 453 G C 0.259 175.032 174.900 -0.212 0.000 0.994 453 G CA 0.211 45.201 45.100 -0.183 0.000 0.698 453 G HN 0.507 nan 8.290 nan 0.000 0.521 454 H N -0.595 118.355 119.070 -0.199 0.000 2.562 454 H HA 0.380 4.936 4.556 0.000 0.000 0.274 454 H C 2.217 177.372 175.328 -0.289 0.000 1.038 454 H CA 1.069 57.003 56.048 -0.190 0.000 1.161 454 H CB 0.063 29.738 29.762 -0.145 0.000 1.318 454 H HN 0.495 nan 8.280 nan 0.000 0.617 455 L N -0.834 120.252 121.223 -0.228 0.000 2.920 455 L HA 0.068 4.408 4.340 0.000 0.000 0.257 455 L C 1.077 177.808 176.870 -0.233 0.000 1.150 455 L CA -0.032 54.611 54.840 -0.329 0.000 0.959 455 L CB 0.533 42.353 42.059 -0.398 0.000 1.321 455 L HN 0.112 nan 8.230 nan 0.000 0.555 456 D N 1.254 121.537 120.400 -0.195 0.000 2.133 456 D HA -0.184 4.456 4.640 0.000 0.000 0.195 456 D C 2.073 178.299 176.300 -0.123 0.000 0.997 456 D CA 1.792 55.698 54.000 -0.158 0.000 0.840 456 D CB -0.251 40.459 40.800 -0.150 0.000 0.947 456 D HN 0.350 nan 8.370 nan 0.000 0.452 457 G N 0.502 109.231 108.800 -0.118 0.000 2.443 457 G HA2 -0.078 3.882 3.960 0.000 0.000 0.219 457 G HA3 -0.078 3.882 3.960 0.000 0.000 0.219 457 G C 0.930 175.797 174.900 -0.054 0.000 1.131 457 G CA -0.041 45.013 45.100 -0.078 0.000 0.775 457 G HN 0.243 nan 8.290 nan 0.000 0.547 458 I N 1.981 122.506 120.570 -0.076 0.000 2.496 458 I HA 0.115 4.285 4.170 0.000 0.000 0.285 458 I C 0.599 176.700 176.117 -0.028 0.000 1.080 458 I CA -0.576 60.713 61.300 -0.018 0.000 1.404 458 I CB 0.975 38.928 38.000 -0.079 0.000 1.403 458 I HN 0.355 nan 8.210 nan 0.000 0.539 459 E N 5.840 126.047 120.200 0.012 0.000 2.413 459 E HA -0.055 4.295 4.350 0.000 0.000 0.263 459 E C 0.694 177.297 176.600 0.004 0.000 1.015 459 E CA -0.545 55.856 56.400 0.002 0.000 0.916 459 E CB 1.099 30.805 29.700 0.009 0.000 0.947 459 E HN 0.506 nan 8.360 nan 0.000 0.440 460 L N 3.537 124.753 121.223 -0.011 0.000 2.079 460 L HA -0.219 4.121 4.340 0.000 0.000 0.210 460 L C 2.208 179.087 176.870 0.014 0.000 1.081 460 L CA 2.468 57.299 54.840 -0.014 0.000 0.752 460 L CB -0.601 41.448 42.059 -0.017 0.000 0.896 460 L HN 0.754 nan 8.230 nan 0.000 0.433 461 S N -1.544 114.173 115.700 0.027 0.000 2.555 461 S HA -0.029 4.441 4.470 0.000 0.000 0.230 461 S C 1.582 176.225 174.600 0.072 0.000 0.978 461 S CA 0.377 58.602 58.200 0.042 0.000 0.934 461 S CB -0.369 62.852 63.200 0.034 0.000 0.766 461 S HN 0.502 nan 8.310 nan 0.000 0.533 462 R N 0.092 120.652 120.500 0.099 0.000 2.662 462 R HA 0.391 4.731 4.340 0.000 0.000 0.396 462 R C 0.397 176.832 176.300 0.225 0.000 1.096 462 R CA -0.184 56.028 56.100 0.186 0.000 1.081 462 R CB 0.245 30.685 30.300 0.234 0.000 1.382 462 R HN 0.341 nan 8.270 nan 0.000 0.580 463 I N -0.335 120.307 120.570 0.119 0.000 2.406 463 I HA -0.036 4.134 4.170 0.000 0.000 0.249 463 I C 2.294 178.509 176.117 0.163 0.000 1.122 463 I CA 1.215 62.568 61.300 0.088 0.000 1.431 463 I CB -1.053 36.943 38.000 -0.007 0.000 1.087 463 I HN 0.238 nan 8.210 nan 0.000 0.424 464 G N 2.065 110.943 108.800 0.130 0.000 2.476 464 G HA2 -0.295 3.665 3.960 0.000 0.000 0.218 464 G HA3 -0.295 3.665 3.960 0.000 0.000 0.218 464 G C 1.479 176.470 174.900 0.153 0.000 1.164 464 G CA 1.245 46.417 45.100 0.121 0.000 0.768 464 G HN 0.624 nan 8.290 nan 0.000 0.560 465 E N -0.702 119.620 120.200 0.203 0.000 2.230 465 E HA 0.064 4.414 4.350 0.000 0.000 0.192 465 E C 2.042 178.810 176.600 0.281 0.000 0.987 465 E CA 0.251 56.790 56.400 0.232 0.000 0.841 465 E CB -0.541 29.309 29.700 0.249 0.000 0.783 465 E HN 0.363 nan 8.360 nan 0.000 0.481 466 F N 2.498 122.518 119.950 0.117 0.000 2.120 466 F HA -0.229 4.298 4.527 0.000 0.000 0.300 466 F C 2.203 177.972 175.800 -0.052 0.000 1.095 466 F CA 2.221 60.110 58.000 -0.184 0.000 1.249 466 F CB -0.148 38.569 39.000 -0.471 0.000 0.995 466 F HN 0.117 nan 8.300 nan 0.000 0.480 467 E N -0.568 119.680 120.200 0.080 0.000 2.085 467 E HA -0.242 4.108 4.350 0.000 0.000 0.194 467 E C 2.335 178.890 176.600 -0.075 0.000 0.994 467 E CA 1.490 57.888 56.400 -0.002 0.000 0.801 467 E CB -0.438 29.320 29.700 0.097 0.000 0.743 467 E HN 0.433 nan 8.360 nan 0.000 0.453 468 S N -0.743 114.956 115.700 -0.002 0.000 2.355 468 S HA -0.088 4.382 4.470 0.000 0.000 0.222 468 S C 2.069 176.668 174.600 -0.002 0.000 1.031 468 S CA 1.289 59.498 58.200 0.015 0.000 0.993 468 S CB -0.138 63.105 63.200 0.072 0.000 0.859 468 S HN 0.269 nan 8.310 nan 0.000 0.453 469 S N 0.651 116.371 115.700 0.033 0.000 2.362 469 S HA 0.047 4.517 4.470 0.000 0.000 0.221 469 S C 1.471 175.985 174.600 -0.143 0.000 1.032 469 S CA 0.713 58.989 58.200 0.125 0.000 0.973 469 S CB -0.478 63.011 63.200 0.482 0.000 0.849 469 S HN 0.585 nan 8.310 nan 0.000 0.465 470 F N 2.820 122.231 119.950 -0.898 0.000 2.126 470 F HA -0.066 4.461 4.527 0.000 0.000 0.299 470 F C 1.771 177.230 175.800 -0.568 0.000 1.096 470 F CA 1.115 58.285 58.000 -1.383 0.000 1.255 470 F CB -0.667 37.340 39.000 -1.656 0.000 0.997 470 F HN 0.117 nan 8.300 nan 0.000 0.479 471 L N -0.416 120.566 121.223 -0.401 0.000 2.141 471 L HA -0.180 4.160 4.340 0.000 0.000 0.209 471 L C 2.552 179.295 176.870 -0.212 0.000 1.094 471 L CA 1.454 56.096 54.840 -0.329 0.000 0.763 471 L CB -1.075 40.861 42.059 -0.205 0.000 0.908 471 L HN 0.256 nan 8.230 nan 0.000 0.437 472 S N -1.039 114.591 115.700 -0.117 0.000 2.414 472 S HA -0.220 4.250 4.470 0.000 0.000 0.227 472 S C 2.000 176.595 174.600 -0.009 0.000 1.022 472 S CA 0.493 58.666 58.200 -0.046 0.000 0.958 472 S CB -0.727 62.480 63.200 0.011 0.000 0.797 472 S HN 0.466 nan 8.310 nan 0.000 0.493 473 Y N 2.602 122.838 120.300 -0.106 0.000 2.145 473 Y HA 0.008 4.558 4.550 0.000 0.000 0.286 473 Y C 1.903 177.768 175.900 -0.058 0.000 1.145 473 Y CA 1.398 59.486 58.100 -0.019 0.000 1.148 473 Y CB -0.477 38.024 38.460 0.068 0.000 0.981 473 Y HN 0.196 nan 8.280 nan 0.000 0.507 474 L N 0.148 121.205 121.223 -0.276 0.000 2.027 474 L HA -0.199 4.141 4.340 0.000 0.000 0.206 474 L C 2.480 179.204 176.870 -0.244 0.000 1.074 474 L CA 1.682 56.318 54.840 -0.341 0.000 0.745 474 L CB -0.547 41.204 42.059 -0.513 0.000 0.898 474 L HN 0.063 nan 8.230 nan 0.000 0.433 475 K N -0.441 119.835 120.400 -0.207 0.000 2.152 475 K HA -0.126 4.194 4.320 0.000 0.000 0.206 475 K C 2.220 178.734 176.600 -0.144 0.000 1.048 475 K CA 1.524 57.719 56.287 -0.153 0.000 0.933 475 K CB -0.014 32.414 32.500 -0.121 0.000 0.721 475 K HN 0.218 nan 8.250 nan 0.000 0.447 476 S N 0.476 116.080 115.700 -0.159 0.000 2.371 476 S HA 0.017 4.487 4.470 0.000 0.000 0.221 476 S C 1.386 175.853 174.600 -0.221 0.000 1.036 476 S CA 0.802 58.913 58.200 -0.149 0.000 0.965 476 S CB -0.033 63.111 63.200 -0.094 0.000 0.845 476 S HN 0.353 nan 8.310 nan 0.000 0.475 477 N N -0.261 118.219 118.700 -0.366 0.000 2.348 477 N HA 0.091 4.831 4.740 0.000 0.000 0.183 477 N C -0.049 175.038 175.510 -0.705 0.000 1.094 477 N CA 0.431 53.164 53.050 -0.528 0.000 0.885 477 N CB 0.359 38.426 38.487 -0.701 0.000 1.065 477 N HN 0.404 nan 8.380 nan 0.000 0.472 478 H N -0.062 118.824 119.070 -0.307 0.000 2.575 478 H HA 0.155 4.711 4.556 0.000 0.000 0.256 478 H C 0.666 175.881 175.328 -0.188 0.000 1.162 478 H CA -0.202 55.712 56.048 -0.224 0.000 0.969 478 H CB 0.395 30.017 29.762 -0.233 0.000 1.796 478 H HN 0.184 nan 8.280 nan 0.000 0.607 479 N N 1.848 120.478 118.700 -0.116 0.000 2.132 479 N HA -0.220 4.520 4.740 0.000 0.000 0.191 479 N C 1.350 176.814 175.510 -0.077 0.000 1.015 479 N CA 1.806 54.795 53.050 -0.102 0.000 0.864 479 N CB 0.391 38.815 38.487 -0.105 0.000 1.006 479 N HN 0.303 nan 8.380 nan 0.000 0.430 480 E N -0.028 120.132 120.200 -0.067 0.000 2.106 480 E HA -0.066 4.284 4.350 0.000 0.000 0.192 480 E C 2.005 178.580 176.600 -0.041 0.000 0.984 480 E CA 0.851 57.221 56.400 -0.050 0.000 0.806 480 E CB -0.247 29.425 29.700 -0.045 0.000 0.750 480 E HN 0.426 nan 8.360 nan 0.000 0.458 481 L N 0.222 121.426 121.223 -0.032 0.000 1.994 481 L HA -0.144 4.196 4.340 0.000 0.000 0.208 481 L C 2.372 179.201 176.870 -0.069 0.000 1.071 481 L CA 1.038 55.851 54.840 -0.045 0.000 0.745 481 L CB -0.645 41.387 42.059 -0.044 0.000 0.892 481 L HN 0.145 nan 8.230 nan 0.000 0.431 482 L N -0.494 120.678 121.223 -0.084 0.000 2.079 482 L HA -0.201 4.139 4.340 0.000 0.000 0.210 482 L C 2.671 179.499 176.870 -0.070 0.000 1.081 482 L CA 1.533 56.316 54.840 -0.094 0.000 0.752 482 L CB -1.125 40.864 42.059 -0.117 0.000 0.896 482 L HN 0.356 nan 8.230 nan 0.000 0.433 483 T N -1.116 113.401 114.554 -0.061 0.000 2.674 483 T HA -0.234 4.116 4.350 0.000 0.000 0.265 483 T C 1.785 176.463 174.700 -0.037 0.000 1.039 483 T CA 1.407 63.478 62.100 -0.048 0.000 1.150 483 T CB -0.179 68.662 68.868 -0.045 0.000 0.864 483 T HN 0.357 nan 8.240 nan 0.000 0.427 484 E N 0.628 120.806 120.200 -0.037 0.000 2.085 484 E HA -0.124 4.226 4.350 0.000 0.000 0.194 484 E C 2.219 178.803 176.600 -0.027 0.000 0.994 484 E CA 0.967 57.350 56.400 -0.029 0.000 0.801 484 E CB -0.257 29.425 29.700 -0.030 0.000 0.743 484 E HN 0.489 nan 8.360 nan 0.000 0.453 485 I N 0.576 121.124 120.570 -0.037 0.000 2.151 485 I HA -0.340 3.830 4.170 0.000 0.000 0.243 485 I C 2.887 178.996 176.117 -0.014 0.000 1.080 485 I CA 1.417 62.698 61.300 -0.031 0.000 1.339 485 I CB -0.360 37.612 38.000 -0.047 0.000 1.039 485 I HN 0.120 nan 8.210 nan 0.000 0.409 486 R N 1.089 121.579 120.500 -0.015 0.000 2.070 486 R HA -0.178 4.162 4.340 0.000 0.000 0.233 486 R C 2.122 178.433 176.300 0.018 0.000 1.137 486 R CA 1.810 57.912 56.100 0.004 0.000 0.945 486 R CB -0.106 30.187 30.300 -0.012 0.000 0.845 486 R HN 0.398 nan 8.270 nan 0.000 0.430 487 E N -0.410 119.792 120.200 0.005 0.000 2.285 487 E HA -0.092 4.258 4.350 0.000 0.000 0.194 487 E C 1.733 178.339 176.600 0.010 0.000 0.997 487 E CA 0.724 57.131 56.400 0.010 0.000 0.845 487 E CB 0.295 29.995 29.700 0.000 0.000 0.782 487 E HN 0.315 nan 8.360 nan 0.000 0.491 488 K N -0.595 119.808 120.400 0.004 0.000 2.335 488 K HA 0.079 4.399 4.320 0.000 0.000 0.195 488 K C 1.177 177.780 176.600 0.006 0.000 1.058 488 K CA 0.600 56.888 56.287 0.003 0.000 0.988 488 K CB 0.783 33.280 32.500 -0.004 0.000 0.880 488 K HN 0.175 nan 8.250 nan 0.000 0.513 489 G N 2.721 111.526 108.800 0.008 0.000 2.203 489 G HA2 -0.300 3.660 3.960 0.000 0.000 0.263 489 G HA3 -0.300 3.660 3.960 0.000 0.000 0.263 489 G C -0.170 174.733 174.900 0.005 0.000 1.012 489 G CA 1.014 46.120 45.100 0.010 0.000 0.749 489 G HN 0.417 nan 8.290 nan 0.000 0.512 490 E N -1.420 118.780 120.200 -0.000 0.000 2.412 490 E HA 0.630 4.980 4.350 0.000 0.000 0.279 490 E C -0.935 175.660 176.600 -0.009 0.000 0.984 490 E CA -1.035 55.364 56.400 -0.001 0.000 0.788 490 E CB 1.241 30.941 29.700 -0.000 0.000 1.277 490 E HN 0.156 nan 8.360 nan 0.000 0.455 491 L N 2.277 123.495 121.223 -0.008 0.000 2.316 491 L HA 0.394 4.734 4.340 0.000 0.000 0.280 491 L C 0.054 176.916 176.870 -0.013 0.000 1.006 491 L CA -0.586 54.242 54.840 -0.019 0.000 0.836 491 L CB 1.782 43.825 42.059 -0.025 0.000 1.221 491 L HN 0.410 nan 8.230 nan 0.000 0.418 492 S N 1.483 117.173 115.700 -0.018 0.000 2.572 492 S HA 0.049 4.519 4.470 0.000 0.000 0.267 492 S C 1.262 175.856 174.600 -0.010 0.000 1.361 492 S CA -0.311 57.882 58.200 -0.011 0.000 1.009 492 S CB 0.737 63.929 63.200 -0.013 0.000 0.888 492 S HN 0.569 nan 8.310 nan 0.000 0.553 493 K N 1.358 121.758 120.400 -0.001 0.000 2.211 493 K HA -0.112 4.208 4.320 0.000 0.000 0.203 493 K C 1.577 178.176 176.600 -0.001 0.000 1.050 493 K CA 1.232 57.523 56.287 0.006 0.000 0.945 493 K CB -0.097 32.412 32.500 0.014 0.000 0.732 493 K HN 0.469 nan 8.250 nan 0.000 0.451 494 E N 1.323 121.520 120.200 -0.005 0.000 2.107 494 E HA -0.059 4.291 4.350 0.000 0.000 0.191 494 E C 1.903 178.489 176.600 -0.024 0.000 0.982 494 E CA 0.533 56.928 56.400 -0.007 0.000 0.809 494 E CB -0.070 29.628 29.700 -0.004 0.000 0.756 494 E HN 0.146 nan 8.360 nan 0.000 0.459 495 L N 0.144 121.345 121.223 -0.036 0.000 2.072 495 L HA -0.105 4.235 4.340 0.000 0.000 0.205 495 L C 2.065 178.870 176.870 -0.110 0.000 1.079 495 L CA 0.841 55.643 54.840 -0.063 0.000 0.752 495 L CB -0.095 41.928 42.059 -0.059 0.000 0.906 495 L HN 0.204 nan 8.230 nan 0.000 0.436 496 L N -0.569 120.595 121.223 -0.099 0.000 2.079 496 L HA -0.244 4.096 4.340 0.000 0.000 0.210 496 L C 2.763 179.556 176.870 -0.127 0.000 1.081 496 L CA 1.296 56.048 54.840 -0.146 0.000 0.752 496 L CB -0.625 41.413 42.059 -0.036 0.000 0.896 496 L HN 0.309 nan 8.230 nan 0.000 0.433 497 A N -1.110 121.683 122.820 -0.046 0.000 1.877 497 A HA -0.204 4.116 4.320 0.000 0.000 0.216 497 A C 2.479 180.048 177.584 -0.026 0.000 1.186 497 A CA 2.024 54.057 52.037 -0.007 0.000 0.620 497 A CB -0.723 18.286 19.000 0.015 0.000 0.822 497 A HN 0.342 nan 8.150 nan 0.000 0.443 498 S N -0.650 115.024 115.700 -0.044 0.000 2.400 498 S HA -0.130 4.340 4.470 0.000 0.000 0.232 498 S C 1.800 176.342 174.600 -0.096 0.000 1.025 498 S CA 1.408 59.585 58.200 -0.039 0.000 0.993 498 S CB -0.332 62.851 63.200 -0.027 0.000 0.808 498 S HN 0.391 nan 8.310 nan 0.000 0.478 499 L N 1.947 123.056 121.223 -0.191 0.000 2.044 499 L HA 0.085 4.425 4.340 0.000 0.000 0.205 499 L C 2.220 178.973 176.870 -0.195 0.000 1.075 499 L CA 1.745 56.404 54.840 -0.302 0.000 0.747 499 L CB -0.748 40.947 42.059 -0.607 0.000 0.903 499 L HN 0.137 nan 8.230 nan 0.000 0.435 500 K N -1.312 119.011 120.400 -0.129 0.000 2.113 500 K HA -0.205 4.115 4.320 0.000 0.000 0.208 500 K C 2.289 178.954 176.600 0.109 0.000 1.047 500 K CA 1.658 58.034 56.287 0.149 0.000 0.928 500 K CB -0.096 32.541 32.500 0.228 0.000 0.716 500 K HN 0.307 nan 8.250 nan 0.000 0.446 501 S N -0.153 115.586 115.700 0.064 0.000 2.335 501 S HA -0.108 4.362 4.470 0.000 0.000 0.216 501 S C 1.931 176.594 174.600 0.105 0.000 1.032 501 S CA 1.321 59.574 58.200 0.088 0.000 1.000 501 S CB -0.294 62.951 63.200 0.075 0.000 0.928 501 S HN 0.501 nan 8.310 nan 0.000 0.434 502 A N 0.296 123.127 122.820 0.018 0.000 2.024 502 A HA -0.077 4.243 4.320 0.000 0.000 0.220 502 A C 2.230 179.994 177.584 0.301 0.000 1.164 502 A CA 2.190 54.229 52.037 0.005 0.000 0.643 502 A CB -1.192 17.430 19.000 -0.630 0.000 0.806 502 A HN 0.594 nan 8.150 nan 0.000 0.451 503 T N -0.032 114.654 114.554 0.220 0.000 2.698 503 T HA -0.098 4.252 4.350 0.000 0.000 0.260 503 T C 1.765 176.526 174.700 0.102 0.000 1.044 503 T CA 1.494 63.658 62.100 0.106 0.000 1.149 503 T CB -0.271 68.556 68.868 -0.069 0.000 0.864 503 T HN 0.677 nan 8.240 nan 0.000 0.419 504 E N 1.199 121.489 120.200 0.151 0.000 2.110 504 E HA -0.110 4.240 4.350 0.000 0.000 0.193 504 E C 2.462 179.146 176.600 0.139 0.000 0.988 504 E CA 1.022 57.534 56.400 0.187 0.000 0.804 504 E CB -0.239 29.579 29.700 0.197 0.000 0.745 504 E HN 0.241 nan 8.360 nan 0.000 0.458 505 S N 0.029 115.829 115.700 0.167 0.000 2.374 505 S HA -0.207 4.263 4.470 0.000 0.000 0.227 505 S C 1.585 176.246 174.600 0.101 0.000 1.037 505 S CA 1.256 59.565 58.200 0.181 0.000 1.024 505 S CB -0.218 63.168 63.200 0.310 0.000 0.861 505 S HN 0.334 nan 8.310 nan 0.000 0.456 506 F N 1.070 120.959 119.950 -0.100 0.000 2.270 506 F HA 0.112 4.639 4.527 -0.000 0.000 0.295 506 F C 2.000 177.744 175.800 -0.094 0.000 1.087 506 F CA 0.775 58.597 58.000 -0.296 0.000 1.365 506 F CB -0.271 38.465 39.000 -0.441 0.000 1.056 506 F HN 0.005 nan 8.300 nan 0.000 0.506 507 V N 0.434 120.370 119.914 0.037 0.000 2.427 507 V HA -0.241 3.879 4.120 0.000 0.000 0.248 507 V C 2.668 178.770 176.094 0.012 0.000 1.051 507 V CA 1.659 63.990 62.300 0.052 0.000 1.048 507 V CB -1.409 30.471 31.823 0.095 0.000 0.666 507 V HN 0.431 nan 8.190 nan 0.000 0.456 508 A N -1.042 121.778 122.820 -0.001 0.000 2.015 508 A HA -0.200 4.120 4.320 0.000 0.000 0.219 508 A C 2.395 179.947 177.584 -0.054 0.000 1.163 508 A CA 2.239 54.269 52.037 -0.011 0.000 0.646 508 A CB -0.703 18.304 19.000 0.012 0.000 0.806 508 A HN 0.443 nan 8.150 nan 0.000 0.448 509 T N -1.671 112.812 114.554 -0.119 0.000 2.942 509 T HA 0.158 4.508 4.350 0.000 0.000 0.265 509 T C 0.413 174.991 174.700 -0.204 0.000 1.062 509 T CA 0.563 62.560 62.100 -0.172 0.000 1.139 509 T CB -0.295 68.431 68.868 -0.235 0.000 0.883 509 T HN 0.372 nan 8.240 nan 0.000 0.468 510 F N 0.000 119.698 119.950 -0.419 0.000 2.286 510 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 510 F CA 0.000 57.779 58.000 -0.368 0.000 1.383 510 F CB 0.000 38.669 39.000 -0.552 0.000 1.145 510 F HN 0.000 nan 8.300 nan 0.000 0.574