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 2hld_1_T DATA FIRST_RESID 26 DATA SEQUENCE NLNETGRVLA VGDGIARVFG LNNIQAEELV EFSSGVKGMA LNLEPGQVGI 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 AQXXXDLDAS TKQTLVRGER DATA SEQUENCE LTQLLKQNQY SPLATEEQVP LIYAGVNGHL DGIELSRIGE FESSFLSYLK DATA SEQUENCE SNHNELLTEI REKGELSKEL LASLKSATES FVAT 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 0.000 175.487 175.510 -0.038 0.000 1.280 26 N CA 0.000 53.040 53.050 -0.017 0.000 0.885 26 N CB 0.000 38.477 38.487 -0.017 0.000 1.341 27 L N 2.457 123.647 121.223 -0.054 0.000 2.777 27 L HA 0.201 4.541 4.340 0.000 0.000 0.244 27 L C 0.611 177.408 176.870 -0.122 0.000 1.235 27 L CA 0.322 55.095 54.840 -0.111 0.000 1.062 27 L CB -0.420 41.553 42.059 -0.144 0.000 1.340 27 L HN 0.514 nan 8.230 nan 0.000 0.439 28 N N -1.342 117.307 118.700 -0.084 0.000 2.631 28 N HA -0.040 4.700 4.740 0.000 0.000 0.255 28 N C 1.397 176.868 175.510 -0.065 0.000 1.037 28 N CA 0.028 53.033 53.050 -0.075 0.000 0.919 28 N CB 0.427 38.881 38.487 -0.055 0.000 1.708 28 N HN 0.016 nan 8.380 nan 0.000 0.530 29 E N 0.061 120.229 120.200 -0.054 0.000 2.340 29 E HA 0.126 4.476 4.350 0.000 0.000 0.194 29 E C -0.149 176.416 176.600 -0.058 0.000 0.996 29 E CA 0.530 56.901 56.400 -0.049 0.000 0.869 29 E CB 0.377 30.055 29.700 -0.037 0.000 0.835 29 E HN 0.447 nan 8.360 nan 0.000 0.493 30 T N -3.276 111.244 114.554 -0.058 0.000 2.927 30 T HA 0.837 5.187 4.350 0.000 0.000 0.286 30 T C 0.354 175.015 174.700 -0.067 0.000 1.040 30 T CA -0.567 61.497 62.100 -0.060 0.000 1.010 30 T CB 1.902 70.747 68.868 -0.038 0.000 1.177 30 T HN 0.029 nan 8.240 nan 0.000 0.546 31 G N -0.275 108.492 108.800 -0.055 0.000 2.684 31 G HA2 0.639 4.599 3.960 0.000 0.000 0.290 31 G HA3 0.639 4.599 3.960 0.000 0.000 0.290 31 G C -1.602 173.318 174.900 0.032 0.000 1.425 31 G CA -1.087 43.995 45.100 -0.029 0.000 0.822 31 G HN 0.709 nan 8.290 nan 0.000 0.482 32 R N -0.092 120.473 120.500 0.108 0.000 2.562 32 R HA 0.489 4.829 4.340 0.000 0.000 0.298 32 R C -0.707 175.686 176.300 0.155 0.000 0.961 32 R CA -0.716 55.466 56.100 0.137 0.000 0.881 32 R CB 2.422 32.822 30.300 0.167 0.000 1.159 32 R HN 0.315 nan 8.270 nan 0.000 0.450 33 V N 5.394 125.392 119.914 0.140 0.000 2.479 33 V HA 0.007 4.127 4.120 0.000 0.000 0.281 33 V C 1.683 177.838 176.094 0.101 0.000 1.031 33 V CA 0.300 62.686 62.300 0.144 0.000 1.038 33 V CB 0.635 32.553 31.823 0.158 0.000 0.981 33 V HN 0.738 nan 8.190 nan 0.000 0.478 34 L N 4.045 125.326 121.223 0.097 0.000 2.127 34 L HA 0.371 4.711 4.340 0.000 0.000 0.203 34 L C 0.983 177.872 176.870 0.032 0.000 1.080 34 L CA 1.260 56.132 54.840 0.054 0.000 0.768 34 L CB 0.019 42.114 42.059 0.061 0.000 0.924 34 L HN 0.786 nan 8.230 nan 0.000 0.444 35 A N -0.873 121.970 122.820 0.038 0.000 2.577 35 A HA 0.580 4.900 4.320 0.000 0.000 0.297 35 A C -1.709 175.882 177.584 0.012 0.000 1.060 35 A CA -0.358 51.689 52.037 0.017 0.000 0.697 35 A CB 1.789 20.794 19.000 0.008 0.000 1.281 35 A HN -0.199 nan 8.150 nan 0.000 0.402 36 V N 1.198 121.107 119.914 -0.009 0.000 2.531 36 V HA 0.951 5.071 4.120 0.000 0.000 0.301 36 V C -0.078 175.993 176.094 -0.038 0.000 1.034 36 V CA 0.750 63.031 62.300 -0.033 0.000 0.865 36 V CB 1.624 33.410 31.823 -0.062 0.000 0.995 36 V HN 2.188 nan 8.190 nan 0.000 0.424 37 G N 3.586 112.360 108.800 -0.044 0.000 2.691 37 G HA2 0.530 4.490 3.960 0.000 0.000 0.298 37 G HA3 0.530 4.490 3.960 0.000 0.000 0.298 37 G C -0.944 173.927 174.900 -0.047 0.000 1.471 37 G CA -0.017 45.058 45.100 -0.042 0.000 0.912 37 G HN 0.876 nan 8.290 nan 0.000 0.553 38 D N -0.135 120.236 120.400 -0.047 0.000 2.800 38 D HA -0.119 4.521 4.640 0.000 0.000 0.232 38 D C 1.637 177.901 176.300 -0.061 0.000 1.137 38 D CA 2.789 56.760 54.000 -0.050 0.000 0.718 38 D CB -1.219 39.553 40.800 -0.047 0.000 1.084 38 D HN 2.187 nan 8.370 nan 0.000 0.432 39 G N -1.111 107.648 108.800 -0.068 0.000 2.168 39 G HA2 -0.298 3.662 3.960 0.000 0.000 0.257 39 G HA3 -0.298 3.662 3.960 0.000 0.000 0.257 39 G C 0.188 175.030 174.900 -0.096 0.000 0.997 39 G CA 0.466 45.515 45.100 -0.084 0.000 0.708 39 G HN 0.522 nan 8.290 nan 0.000 0.520 40 I N 0.351 120.874 120.570 -0.079 0.000 2.433 40 I HA 0.721 4.891 4.170 0.000 0.000 0.292 40 I C 0.372 176.460 176.117 -0.049 0.000 1.001 40 I CA -1.325 59.937 61.300 -0.063 0.000 1.119 40 I CB 1.411 39.382 38.000 -0.048 0.000 1.289 40 I HN 0.322 nan 8.210 nan 0.000 0.438 41 A N 7.025 129.833 122.820 -0.020 0.000 2.287 41 A HA 0.673 4.993 4.320 0.000 0.000 0.317 41 A C -0.070 177.560 177.584 0.076 0.000 1.220 41 A CA -0.718 51.336 52.037 0.028 0.000 0.835 41 A CB 0.670 19.702 19.000 0.054 0.000 1.180 41 A HN 0.702 nan 8.150 nan 0.000 0.500 42 R N 1.466 122.004 120.500 0.064 0.000 2.234 42 R HA 0.503 4.843 4.340 0.000 0.000 0.324 42 R C -1.079 175.285 176.300 0.107 0.000 1.054 42 R CA -0.209 55.934 56.100 0.072 0.000 0.912 42 R CB 1.364 31.695 30.300 0.051 0.000 1.030 42 R HN 0.450 nan 8.270 nan 0.000 0.455 43 V N 4.842 124.823 119.914 0.112 0.000 2.487 43 V HA 0.260 4.380 4.120 0.000 0.000 0.298 43 V C -0.610 175.571 176.094 0.145 0.000 1.028 43 V CA -0.870 61.507 62.300 0.127 0.000 0.860 43 V CB 1.421 33.297 31.823 0.090 0.000 0.991 43 V HN 0.546 nan 8.190 nan 0.000 0.427 44 F N 4.676 124.637 119.950 0.018 0.000 2.427 44 F HA 0.699 5.226 4.527 0.000 0.000 0.352 44 F C 0.905 176.706 175.800 0.001 0.000 1.100 44 F CA 1.404 59.409 58.000 0.009 0.000 1.191 44 F CB 0.671 39.676 39.000 0.009 0.000 1.128 44 F HN 0.914 nan 8.300 nan 0.000 0.533 45 G N 4.544 112.953 108.800 -0.651 0.000 2.513 45 G HA2 -0.190 3.771 3.960 0.000 0.000 0.227 45 G HA3 -0.190 3.771 3.960 0.000 0.000 0.227 45 G C 0.087 174.840 174.900 -0.244 0.000 1.176 45 G CA -0.473 44.322 45.100 -0.510 0.000 0.967 45 G HN 1.343 nan 8.290 nan 0.000 0.587 46 L N -0.016 121.107 121.223 -0.167 0.000 3.597 46 L HA -0.198 4.142 4.340 0.000 0.000 0.440 46 L C 1.621 178.430 176.870 -0.102 0.000 1.277 46 L CA 0.605 55.377 54.840 -0.113 0.000 0.852 46 L CB -1.110 40.894 42.059 -0.093 0.000 1.708 46 L HN 0.686 nan 8.230 nan 0.000 0.885 47 N N 0.520 119.152 118.700 -0.112 0.000 2.135 47 N HA -0.064 4.676 4.740 0.000 0.000 0.186 47 N C 1.220 176.692 175.510 -0.064 0.000 1.027 47 N CA 1.461 54.453 53.050 -0.096 0.000 0.849 47 N CB 0.025 38.450 38.487 -0.104 0.000 1.002 47 N HN 0.490 nan 8.380 nan 0.000 0.425 48 N N 0.976 119.643 118.700 -0.056 0.000 2.571 48 N HA -0.018 4.722 4.740 0.000 0.000 0.189 48 N C 0.481 175.971 175.510 -0.034 0.000 1.154 48 N CA 0.003 53.029 53.050 -0.040 0.000 0.907 48 N CB 0.121 38.586 38.487 -0.036 0.000 0.977 48 N HN 0.406 nan 8.380 nan 0.000 0.449 49 I N 1.008 121.555 120.570 -0.039 0.000 2.779 49 I HA -0.079 4.091 4.170 0.000 0.000 0.285 49 I C 0.279 176.384 176.117 -0.019 0.000 1.134 49 I CA -0.233 61.049 61.300 -0.031 0.000 1.398 49 I CB 0.691 38.668 38.000 -0.037 0.000 1.404 49 I HN 0.037 nan 8.210 nan 0.000 0.587 50 Q N 4.953 124.746 119.800 -0.010 0.000 2.227 50 Q HA 0.512 4.852 4.340 0.000 0.000 0.245 50 Q C -0.238 175.765 176.000 0.005 0.000 0.926 50 Q CA -0.909 54.892 55.803 -0.002 0.000 0.895 50 Q CB 1.352 30.092 28.738 0.003 0.000 1.230 50 Q HN 0.771 nan 8.270 nan 0.000 0.450 51 A N 1.989 124.814 122.820 0.008 0.000 2.520 51 A HA 0.032 4.352 4.320 0.000 0.000 0.245 51 A C 0.062 177.661 177.584 0.025 0.000 1.072 51 A CA 0.246 52.293 52.037 0.016 0.000 0.761 51 A CB -0.248 18.762 19.000 0.017 0.000 1.004 51 A HN 0.951 nan 8.150 nan 0.000 0.499 52 E N -0.393 119.828 120.200 0.036 0.000 2.868 52 E HA -0.196 4.154 4.350 0.000 0.000 0.278 52 E C 0.068 176.704 176.600 0.061 0.000 1.009 52 E CA 1.127 57.559 56.400 0.054 0.000 0.856 52 E CB -1.409 28.321 29.700 0.050 0.000 1.428 52 E HN 0.910 nan 8.360 nan 0.000 0.423 53 E N 0.773 121.001 120.200 0.047 0.000 2.331 53 E HA 0.346 4.696 4.350 0.000 0.000 0.272 53 E C -0.303 176.338 176.600 0.069 0.000 1.036 53 E CA -0.503 55.923 56.400 0.044 0.000 0.864 53 E CB 0.784 30.494 29.700 0.017 0.000 1.035 53 E HN 0.115 nan 8.360 nan 0.000 0.408 54 L N 4.654 125.926 121.223 0.081 0.000 2.426 54 L HA 0.174 4.514 4.340 0.000 0.000 0.271 54 L C -0.512 176.389 176.870 0.052 0.000 1.169 54 L CA 0.073 54.982 54.840 0.115 0.000 0.836 54 L CB 1.116 43.240 42.059 0.108 0.000 1.112 54 L HN 0.417 nan 8.230 nan 0.000 0.465 55 V N 0.750 120.692 119.914 0.047 0.000 3.074 55 V HA 0.671 4.791 4.120 0.000 0.000 0.314 55 V C -0.794 175.254 176.094 -0.077 0.000 1.117 55 V CA -0.865 61.385 62.300 -0.084 0.000 1.014 55 V CB 1.833 33.512 31.823 -0.240 0.000 1.057 55 V HN 0.798 nan 8.190 nan 0.000 0.438 56 E N 0.920 121.019 120.200 -0.169 0.000 2.222 56 E HA 0.618 4.968 4.350 0.000 0.000 0.267 56 E C -1.776 174.701 176.600 -0.206 0.000 0.884 56 E CA -0.664 55.694 56.400 -0.070 0.000 0.764 56 E CB 1.837 31.535 29.700 -0.004 0.000 1.169 56 E HN 0.626 nan 8.360 nan 0.000 0.413 57 F N 1.241 121.215 119.950 0.041 0.000 2.457 57 F HA 0.230 4.757 4.527 0.000 0.000 0.330 57 F C 1.777 177.594 175.800 0.029 0.000 1.069 57 F CA -0.435 57.584 58.000 0.032 0.000 1.009 57 F CB 1.457 40.477 39.000 0.032 0.000 1.276 57 F HN 0.478 nan 8.300 nan 0.000 0.492 58 S N 0.050 115.887 115.700 0.227 0.000 2.392 58 S HA -0.215 4.255 4.470 0.000 0.000 0.232 58 S C 2.034 176.700 174.600 0.111 0.000 1.041 58 S CA 1.897 60.174 58.200 0.129 0.000 1.026 58 S CB -0.500 62.765 63.200 0.109 0.000 0.845 58 S HN 0.709 nan 8.310 nan 0.000 0.465 59 S N -0.292 115.486 115.700 0.130 0.000 2.527 59 S HA 0.351 4.821 4.470 0.000 0.000 0.222 59 S C 1.537 176.191 174.600 0.090 0.000 0.985 59 S CA 0.836 59.089 58.200 0.087 0.000 0.921 59 S CB 0.173 63.410 63.200 0.062 0.000 0.772 59 S HN 0.782 nan 8.310 nan 0.000 0.529 60 G N 0.223 109.097 108.800 0.124 0.000 2.218 60 G HA2 -0.225 3.735 3.960 0.000 0.000 0.216 60 G HA3 -0.225 3.735 3.960 0.000 0.000 0.216 60 G C 0.120 175.107 174.900 0.145 0.000 0.994 60 G CA -0.116 45.051 45.100 0.112 0.000 0.637 60 G HN 0.853 nan 8.290 nan 0.000 0.505 61 V N 1.680 121.696 119.914 0.169 0.000 2.740 61 V HA 0.529 4.649 4.120 0.000 0.000 0.303 61 V C 0.598 176.902 176.094 0.350 0.000 1.054 61 V CA 0.306 62.716 62.300 0.185 0.000 1.106 61 V CB 1.014 32.877 31.823 0.066 0.000 0.957 61 V HN 0.328 nan 8.190 nan 0.000 0.486 62 K N 4.161 124.764 120.400 0.339 0.000 2.166 62 K HA 0.788 5.108 4.320 0.000 0.000 0.245 62 K C -0.013 176.900 176.600 0.520 0.000 0.967 62 K CA -0.196 56.346 56.287 0.426 0.000 0.863 62 K CB 1.931 34.629 32.500 0.330 0.000 1.107 62 K HN 0.902 nan 8.250 nan 0.000 0.436 63 G N 0.443 109.537 108.800 0.491 0.000 2.866 63 G HA2 0.634 4.594 3.960 0.000 0.000 0.289 63 G HA3 0.634 4.594 3.960 0.000 0.000 0.289 63 G C -1.772 173.240 174.900 0.186 0.000 1.396 63 G CA -0.689 44.568 45.100 0.263 0.000 0.848 63 G HN 0.493 nan 8.290 nan 0.000 0.515 64 M N 0.758 120.354 119.600 -0.007 0.000 2.267 64 M HA 0.652 5.133 4.480 0.000 0.000 0.289 64 M C -0.580 175.739 176.300 0.031 0.000 1.043 64 M CA -0.848 54.495 55.300 0.071 0.000 0.928 64 M CB 1.958 34.618 32.600 0.100 0.000 1.613 64 M HN 0.770 nan 8.290 nan 0.000 0.450 65 A N 4.448 127.294 122.820 0.044 0.000 2.444 65 A HA 0.317 4.637 4.320 0.000 0.000 0.287 65 A C 0.192 177.791 177.584 0.024 0.000 1.195 65 A CA -0.355 51.697 52.037 0.025 0.000 0.858 65 A CB -0.000 19.008 19.000 0.013 0.000 1.117 65 A HN 0.971 nan 8.150 nan 0.000 0.521 66 L N 2.858 124.089 121.223 0.013 0.000 2.189 66 L HA 0.214 4.554 4.340 0.000 0.000 0.199 66 L C 0.711 177.588 176.870 0.013 0.000 1.074 66 L CA 1.683 56.531 54.840 0.013 0.000 0.783 66 L CB -0.171 41.883 42.059 -0.008 0.000 0.955 66 L HN 0.883 nan 8.230 nan 0.000 0.460 67 N N -0.626 118.079 118.700 0.007 0.000 2.352 67 N HA 0.473 5.213 4.740 0.000 0.000 0.291 67 N C -1.657 173.857 175.510 0.007 0.000 1.040 67 N CA -0.566 52.489 53.050 0.007 0.000 0.864 67 N CB 1.066 39.555 38.487 0.004 0.000 1.440 67 N HN 0.059 nan 8.380 nan 0.000 0.483 68 L N 1.440 122.666 121.223 0.005 0.000 2.265 68 L HA 0.475 4.815 4.340 0.000 0.000 0.289 68 L C -0.003 176.868 176.870 0.003 0.000 1.033 68 L CA -0.667 54.174 54.840 0.001 0.000 0.814 68 L CB 0.727 42.783 42.059 -0.004 0.000 1.203 68 L HN 0.594 nan 8.230 nan 0.000 0.423 69 E N 3.927 124.130 120.200 0.006 0.000 2.249 69 E HA 0.438 4.788 4.350 0.000 0.000 0.263 69 E C -2.428 174.177 176.600 0.009 0.000 0.950 69 E CA -2.177 54.229 56.400 0.010 0.000 0.827 69 E CB 1.008 30.718 29.700 0.017 0.000 1.220 69 E HN 0.360 nan 8.360 nan 0.000 0.411 70 P HA 0.004 nan 4.420 nan 0.000 0.264 70 P C 0.508 177.830 177.300 0.037 0.000 1.229 70 P CA 0.755 63.864 63.100 0.016 0.000 0.780 70 P CB 0.341 32.052 31.700 0.018 0.000 0.808 71 G N 2.995 111.815 108.800 0.032 0.000 2.284 71 G HA2 -0.163 3.797 3.960 0.000 0.000 0.216 71 G HA3 -0.163 3.797 3.960 0.000 0.000 0.216 71 G C -0.138 174.840 174.900 0.129 0.000 1.009 71 G CA 0.221 45.381 45.100 0.100 0.000 0.625 71 G HN 0.784 nan 8.290 nan 0.000 0.501 72 Q N -0.634 119.213 119.800 0.079 0.000 2.418 72 Q HA 0.738 5.078 4.340 0.000 0.000 0.282 72 Q C -1.421 174.600 176.000 0.035 0.000 1.044 72 Q CA -1.126 54.729 55.803 0.086 0.000 0.813 72 Q CB 2.746 31.557 28.738 0.122 0.000 1.428 72 Q HN 0.464 nan 8.270 nan 0.000 0.402 73 V N 1.209 121.142 119.914 0.032 0.000 2.448 73 V HA 0.674 4.794 4.120 0.000 0.000 0.295 73 V C 0.248 176.363 176.094 0.036 0.000 1.025 73 V CA -0.340 61.971 62.300 0.018 0.000 0.859 73 V CB 1.549 33.371 31.823 -0.003 0.000 0.988 73 V HN 0.866 nan 8.190 nan 0.000 0.431 74 G N 5.228 114.043 108.800 0.026 0.000 2.320 74 G HA2 0.657 4.617 3.960 0.000 0.000 0.300 74 G HA3 0.657 4.617 3.960 0.000 0.000 0.300 74 G C -0.685 174.229 174.900 0.024 0.000 1.126 74 G CA -0.277 44.838 45.100 0.025 0.000 0.896 74 G HN 0.620 nan 8.290 nan 0.000 0.436 75 I N 2.487 123.083 120.570 0.044 0.000 2.436 75 I HA 0.189 4.359 4.170 0.000 0.000 0.289 75 I C -0.250 175.865 176.117 -0.004 0.000 1.010 75 I CA -0.979 60.355 61.300 0.055 0.000 1.098 75 I CB 2.409 40.515 38.000 0.177 0.000 1.266 75 I HN 0.070 nan 8.210 nan 0.000 0.434 76 V N 7.135 126.999 119.914 -0.083 0.000 2.461 76 V HA 0.262 4.382 4.120 0.000 0.000 0.275 76 V C 0.329 176.236 176.094 -0.312 0.000 1.047 76 V CA -0.434 61.756 62.300 -0.183 0.000 0.955 76 V CB 1.058 32.754 31.823 -0.212 0.000 0.988 76 V HN 0.455 nan 8.190 nan 0.000 0.471 77 L N 5.014 126.084 121.223 -0.255 0.000 2.349 77 L HA 0.388 4.728 4.340 0.000 0.000 0.275 77 L C 0.006 176.722 176.870 -0.256 0.000 1.115 77 L CA -0.227 54.471 54.840 -0.236 0.000 0.820 77 L CB 0.478 42.416 42.059 -0.202 0.000 1.135 77 L HN 0.514 nan 8.230 nan 0.000 0.445 78 F N 1.779 121.772 119.950 0.071 0.000 2.974 78 F HA 0.450 4.977 4.527 0.000 0.000 0.292 78 F C 1.021 176.849 175.800 0.045 0.000 1.209 78 F CA -0.398 57.647 58.000 0.074 0.000 1.366 78 F CB 0.074 39.130 39.000 0.093 0.000 1.033 78 F HN 0.538 nan 8.300 nan 0.000 0.516 79 G N -1.192 107.686 108.800 0.129 0.000 2.490 79 G HA2 0.322 4.282 3.960 0.000 0.000 0.308 79 G HA3 0.322 4.282 3.960 0.000 0.000 0.308 79 G C -1.237 173.669 174.900 0.010 0.000 1.286 79 G CA -0.731 44.414 45.100 0.074 0.000 0.825 79 G HN -0.027 nan 8.290 nan 0.000 0.479 80 S N -1.038 114.659 115.700 -0.005 0.000 2.585 80 S HA 0.288 4.758 4.470 0.000 0.000 0.273 80 S C 0.923 175.482 174.600 -0.068 0.000 1.339 80 S CA 0.314 58.499 58.200 -0.026 0.000 1.028 80 S CB 0.770 63.962 63.200 -0.013 0.000 0.906 80 S HN 0.404 nan 8.310 nan 0.000 0.528 81 D N 1.896 122.254 120.400 -0.069 0.000 2.219 81 D HA -0.057 4.583 4.640 0.000 0.000 0.205 81 D C 1.929 178.179 176.300 -0.083 0.000 0.970 81 D CA 0.852 54.797 54.000 -0.092 0.000 0.851 81 D CB -0.166 40.592 40.800 -0.070 0.000 0.943 81 D HN 0.612 nan 8.370 nan 0.000 0.488 82 R N 0.547 121.014 120.500 -0.055 0.000 2.117 82 R HA -0.097 4.243 4.340 0.000 0.000 0.243 82 R C 1.682 177.954 176.300 -0.046 0.000 1.143 82 R CA 0.935 57.011 56.100 -0.040 0.000 0.968 82 R CB -0.269 30.017 30.300 -0.023 0.000 0.863 82 R HN 0.219 nan 8.270 nan 0.000 0.444 83 L N 0.525 121.711 121.223 -0.062 0.000 2.551 83 L HA 0.073 4.413 4.340 0.000 0.000 0.228 83 L C -0.147 176.669 176.870 -0.090 0.000 1.153 83 L CA -0.016 54.789 54.840 -0.058 0.000 0.851 83 L CB 0.391 42.421 42.059 -0.048 0.000 0.959 83 L HN -0.035 nan 8.230 nan 0.000 0.451 84 V N -0.210 119.622 119.914 -0.137 0.000 2.656 84 V HA 0.367 4.487 4.120 0.000 0.000 0.307 84 V C -0.260 175.792 176.094 -0.070 0.000 1.051 84 V CA -0.881 61.325 62.300 -0.158 0.000 0.893 84 V CB 2.180 33.765 31.823 -0.396 0.000 0.999 84 V HN 0.077 nan 8.190 nan 0.000 0.426 85 K N 1.826 122.220 120.400 -0.011 0.000 2.395 85 K HA 0.495 4.815 4.320 0.000 0.000 0.247 85 K C -0.501 176.118 176.600 0.031 0.000 0.973 85 K CA -0.883 55.407 56.287 0.006 0.000 0.828 85 K CB 2.614 35.122 32.500 0.014 0.000 1.272 85 K HN 0.779 nan 8.250 nan 0.000 0.439 86 E N 0.252 120.465 120.200 0.023 0.000 2.415 86 E HA 0.018 4.368 4.350 0.000 0.000 0.263 86 E C 0.478 177.102 176.600 0.040 0.000 0.995 86 E CA 1.120 57.539 56.400 0.032 0.000 0.915 86 E CB 0.183 29.892 29.700 0.015 0.000 0.951 86 E HN 0.773 nan 8.360 nan 0.000 0.449 87 G N 3.628 112.461 108.800 0.054 0.000 2.195 87 G HA2 -0.277 3.683 3.960 0.000 0.000 0.246 87 G HA3 -0.277 3.683 3.960 0.000 0.000 0.246 87 G C 0.111 175.050 174.900 0.066 0.000 0.984 87 G CA 0.257 45.388 45.100 0.052 0.000 0.633 87 G HN 0.612 nan 8.290 nan 0.000 0.525 88 E N -0.418 119.833 120.200 0.085 0.000 2.392 88 E HA 0.483 4.833 4.350 0.000 0.000 0.259 88 E C 0.061 176.722 176.600 0.102 0.000 1.108 88 E CA -0.619 55.840 56.400 0.098 0.000 0.916 88 E CB 1.122 30.902 29.700 0.132 0.000 0.989 88 E HN 0.228 nan 8.360 nan 0.000 0.432 89 L N 2.322 123.592 121.223 0.079 0.000 2.305 89 L HA 0.187 4.527 4.340 0.000 0.000 0.281 89 L C -1.106 175.766 176.870 0.004 0.000 1.085 89 L CA -0.239 54.625 54.840 0.041 0.000 0.813 89 L CB 1.144 43.219 42.059 0.026 0.000 1.157 89 L HN 0.180 nan 8.230 nan 0.000 0.436 90 V N 4.725 124.598 119.914 -0.068 0.000 2.495 90 V HA 0.489 4.609 4.120 0.000 0.000 0.298 90 V C -0.183 175.800 176.094 -0.185 0.000 1.031 90 V CA -0.953 61.203 62.300 -0.240 0.000 0.871 90 V CB 1.471 33.075 31.823 -0.365 0.000 0.988 90 V HN 0.659 nan 8.190 nan 0.000 0.432 91 K N 3.401 123.683 120.400 -0.196 0.000 2.156 91 K HA 0.608 4.928 4.320 0.000 0.000 0.254 91 K C -0.182 176.340 176.600 -0.129 0.000 0.950 91 K CA -0.829 55.384 56.287 -0.123 0.000 0.849 91 K CB 2.024 34.478 32.500 -0.076 0.000 1.100 91 K HN 0.554 nan 8.250 nan 0.000 0.434 92 R N 0.245 120.693 120.500 -0.087 0.000 2.679 92 R HA 0.113 4.453 4.340 0.000 0.000 0.269 92 R C 0.458 176.732 176.300 -0.044 0.000 1.076 92 R CA 0.128 56.189 56.100 -0.066 0.000 1.160 92 R CB 0.658 30.928 30.300 -0.050 0.000 1.054 92 R HN 0.666 nan 8.270 nan 0.000 0.507 93 T N -0.792 113.745 114.554 -0.028 0.000 2.955 93 T HA 0.143 4.493 4.350 0.000 0.000 0.251 93 T C 1.134 175.829 174.700 -0.008 0.000 1.002 93 T CA 0.361 62.454 62.100 -0.013 0.000 0.970 93 T CB 0.738 69.607 68.868 0.002 0.000 1.091 93 T HN 0.894 nan 8.240 nan 0.000 0.495 94 G N 2.582 111.376 108.800 -0.010 0.000 2.189 94 G HA2 -0.242 3.718 3.960 0.000 0.000 0.267 94 G HA3 -0.242 3.718 3.960 0.000 0.000 0.267 94 G C -0.108 174.793 174.900 0.000 0.000 0.975 94 G CA -0.100 44.996 45.100 -0.007 0.000 0.644 94 G HN 0.489 nan 8.290 nan 0.000 0.537 95 N N 0.558 119.261 118.700 0.006 0.000 2.372 95 N HA 0.508 5.248 4.740 0.000 0.000 0.291 95 N C 0.432 175.955 175.510 0.021 0.000 1.024 95 N CA -0.670 52.386 53.050 0.011 0.000 0.873 95 N CB 1.306 39.799 38.487 0.009 0.000 1.206 95 N HN 0.052 nan 8.380 nan 0.000 0.486 96 I N 1.398 121.981 120.570 0.020 0.000 2.692 96 I HA -0.008 4.162 4.170 0.000 0.000 0.284 96 I C 0.876 177.012 176.117 0.032 0.000 1.159 96 I CA -0.332 60.986 61.300 0.029 0.000 1.423 96 I CB 0.008 38.020 38.000 0.021 0.000 1.380 96 I HN 0.171 nan 8.210 nan 0.000 0.580 97 V N 6.596 126.542 119.914 0.053 0.000 2.621 97 V HA -0.112 4.008 4.120 0.000 0.000 0.300 97 V C 0.337 176.435 176.094 0.007 0.000 1.031 97 V CA 0.480 62.809 62.300 0.048 0.000 1.210 97 V CB -1.042 30.837 31.823 0.093 0.000 0.864 97 V HN 0.928 nan 8.190 nan 0.000 0.477 98 D N 4.216 124.610 120.400 -0.010 0.000 2.592 98 D HA 0.761 5.401 4.640 0.000 0.000 0.263 98 D C -0.704 175.578 176.300 -0.030 0.000 1.132 98 D CA -0.629 53.362 54.000 -0.014 0.000 0.996 98 D CB 2.301 43.098 40.800 -0.004 0.000 1.442 98 D HN 0.471 nan 8.370 nan 0.000 0.486 99 V N -4.867 115.034 119.914 -0.022 0.000 3.012 99 V HA 0.642 4.762 4.120 0.000 0.000 0.307 99 V C -2.992 173.084 176.094 -0.031 0.000 1.166 99 V CA -2.237 60.045 62.300 -0.031 0.000 0.974 99 V CB 1.610 33.418 31.823 -0.025 0.000 1.040 99 V HN 0.429 nan 8.190 nan 0.000 0.428 100 P HA 0.357 nan 4.420 nan 0.000 0.265 100 P C -0.461 176.786 177.300 -0.088 0.000 1.193 100 P CA 0.181 63.242 63.100 -0.066 0.000 0.765 100 P CB 0.850 32.509 31.700 -0.069 0.000 0.823 101 V N -0.150 119.681 119.914 -0.138 0.000 3.130 101 V HA 1.032 5.152 4.120 0.000 0.000 0.310 101 V C -0.026 175.760 176.094 -0.514 0.000 1.158 101 V CA -0.313 61.851 62.300 -0.227 0.000 1.029 101 V CB 1.571 33.338 31.823 -0.093 0.000 1.057 101 V HN 0.937 nan 8.190 nan 0.000 0.436 102 G N 1.802 110.040 108.800 -0.937 0.000 2.353 102 G HA2 0.224 4.184 3.960 0.000 0.000 0.424 102 G HA3 0.224 4.184 3.960 0.000 0.000 0.424 102 G C -2.613 171.529 174.900 -1.264 0.000 1.320 102 G CA 0.038 44.154 45.100 -1.639 0.000 0.995 102 G HN 0.708 nan 8.290 nan 0.000 0.580 103 P HA 0.029 nan 4.420 nan 0.000 0.221 103 P C 1.846 178.981 177.300 -0.275 0.000 1.150 103 P CA 1.766 64.497 63.100 -0.615 0.000 0.800 103 P CB -0.149 31.300 31.700 -0.420 0.000 0.787 104 G N -0.023 108.604 108.800 -0.288 0.000 2.625 104 G HA2 -0.141 3.819 3.960 0.000 0.000 0.214 104 G HA3 -0.141 3.819 3.960 0.000 0.000 0.214 104 G C 1.246 176.081 174.900 -0.108 0.000 1.132 104 G CA 0.154 45.161 45.100 -0.155 0.000 0.782 104 G HN 0.199 nan 8.290 nan 0.000 0.538 105 L N -0.177 120.971 121.223 -0.124 0.000 2.554 105 L HA 0.288 4.628 4.340 0.000 0.000 0.226 105 L C 0.876 177.752 176.870 0.011 0.000 1.137 105 L CA -0.030 54.777 54.840 -0.056 0.000 0.863 105 L CB -0.269 41.754 42.059 -0.060 0.000 0.985 105 L HN 0.038 nan 8.230 nan 0.000 0.451 106 L N 0.270 121.516 121.223 0.039 0.000 2.490 106 L HA 0.278 4.618 4.340 0.000 0.000 0.274 106 L C 1.447 178.344 176.870 0.046 0.000 1.201 106 L CA 1.056 55.949 54.840 0.089 0.000 0.869 106 L CB -0.048 42.100 42.059 0.148 0.000 1.123 106 L HN 0.320 nan 8.230 nan 0.000 0.484 107 G N 1.727 110.547 108.800 0.032 0.000 2.160 107 G HA2 -0.234 3.726 3.960 0.000 0.000 0.251 107 G HA3 -0.234 3.726 3.960 0.000 0.000 0.251 107 G C 0.291 175.188 174.900 -0.004 0.000 1.008 107 G CA -0.195 44.903 45.100 -0.002 0.000 0.724 107 G HN 0.407 nan 8.290 nan 0.000 0.514 108 R N -0.922 119.580 120.500 0.005 0.000 2.803 108 R HA 0.706 5.046 4.340 0.000 0.000 0.276 108 R C -0.386 175.919 176.300 0.008 0.000 0.978 108 R CA -0.846 55.254 56.100 0.001 0.000 0.939 108 R CB 2.014 32.312 30.300 -0.004 0.000 1.179 108 R HN 0.209 nan 8.270 nan 0.000 0.472 109 V N 2.538 122.456 119.914 0.006 0.000 2.417 109 V HA 0.492 4.612 4.120 0.000 0.000 0.291 109 V C 0.200 176.301 176.094 0.011 0.000 1.024 109 V CA -0.788 61.521 62.300 0.015 0.000 0.861 109 V CB 1.588 33.420 31.823 0.015 0.000 0.985 109 V HN 0.611 nan 8.190 nan 0.000 0.436 110 V N 1.119 121.041 119.914 0.013 0.000 3.074 110 V HA 0.836 4.956 4.120 0.000 0.000 0.314 110 V C -0.421 175.677 176.094 0.006 0.000 1.117 110 V CA -0.850 61.453 62.300 0.004 0.000 1.014 110 V CB 2.128 33.947 31.823 -0.005 0.000 1.057 110 V HN 0.798 nan 8.190 nan 0.000 0.438 111 D N 1.700 122.099 120.400 -0.003 0.000 2.478 111 D HA 0.512 5.152 4.640 0.000 0.000 0.274 111 D C 1.271 177.557 176.300 -0.023 0.000 1.234 111 D CA 0.115 54.112 54.000 -0.005 0.000 1.069 111 D CB 0.827 41.625 40.800 -0.004 0.000 1.113 111 D HN 0.831 nan 8.370 nan 0.000 0.571 112 A N -0.755 122.044 122.820 -0.034 0.000 1.972 112 A HA -0.070 4.250 4.320 0.000 0.000 0.219 112 A C 2.193 179.707 177.584 -0.117 0.000 1.169 112 A CA 1.071 53.069 52.037 -0.064 0.000 0.635 112 A CB -0.881 18.082 19.000 -0.062 0.000 0.810 112 A HN 0.516 nan 8.150 nan 0.000 0.446 113 L N -1.340 119.797 121.223 -0.144 0.000 2.611 113 L HA 0.257 4.597 4.340 0.000 0.000 0.229 113 L C 1.630 178.446 176.870 -0.089 0.000 1.137 113 L CA 0.476 55.218 54.840 -0.163 0.000 0.901 113 L CB 0.003 41.937 42.059 -0.209 0.000 1.098 113 L HN 0.569 nan 8.230 nan 0.000 0.456 114 G N -0.528 108.235 108.800 -0.061 0.000 2.199 114 G HA2 -0.269 3.691 3.960 0.000 0.000 0.254 114 G HA3 -0.269 3.691 3.960 0.000 0.000 0.254 114 G C 0.254 175.134 174.900 -0.034 0.000 0.982 114 G CA -0.285 44.790 45.100 -0.042 0.000 0.632 114 G HN 0.411 nan 8.290 nan 0.000 0.529 115 N N 2.630 121.310 118.700 -0.033 0.000 2.454 115 N HA 0.265 5.005 4.740 0.000 0.000 0.260 115 N C -2.447 173.055 175.510 -0.013 0.000 1.218 115 N CA -0.322 52.715 53.050 -0.021 0.000 0.904 115 N CB 1.057 39.535 38.487 -0.015 0.000 1.065 115 N HN 0.254 nan 8.380 nan 0.000 0.462 116 P HA 0.081 nan 4.420 nan 0.000 0.271 116 P C 0.527 177.826 177.300 -0.002 0.000 1.226 116 P CA 0.012 63.108 63.100 -0.008 0.000 0.765 116 P CB 0.370 32.064 31.700 -0.010 0.000 0.835 117 I N 0.229 120.800 120.570 0.002 0.000 4.082 117 I HA 0.193 4.363 4.170 0.000 0.000 0.337 117 I C 0.539 176.659 176.117 0.006 0.000 1.352 117 I CA -0.079 61.224 61.300 0.006 0.000 1.097 117 I CB -0.076 37.931 38.000 0.011 0.000 1.048 117 I HN 0.044 nan 8.210 nan 0.000 0.393 118 D N 1.163 121.565 120.400 0.003 0.000 2.349 118 D HA 0.141 4.781 4.640 0.000 0.000 0.214 118 D C 1.548 177.848 176.300 -0.001 0.000 1.063 118 D CA 0.403 54.404 54.000 0.001 0.000 0.847 118 D CB 0.104 40.903 40.800 -0.001 0.000 0.933 118 D HN 0.392 nan 8.370 nan 0.000 0.513 119 G N 1.074 109.874 108.800 -0.001 0.000 2.198 119 G HA2 -0.332 3.628 3.960 0.000 0.000 0.257 119 G HA3 -0.332 3.628 3.960 0.000 0.000 0.257 119 G C 0.544 175.441 174.900 -0.004 0.000 1.042 119 G CA 0.330 45.429 45.100 -0.001 0.000 0.791 119 G HN 0.449 nan 8.290 nan 0.000 0.502 120 K N -0.128 120.269 120.400 -0.005 0.000 2.455 120 K HA 0.473 4.793 4.320 0.000 0.000 0.206 120 K C 1.378 177.973 176.600 -0.008 0.000 1.027 120 K CA 0.280 56.563 56.287 -0.007 0.000 1.113 120 K CB 0.666 33.161 32.500 -0.008 0.000 0.850 120 K HN 1.447 nan 8.250 nan 0.000 0.503 121 G N 2.279 111.074 108.800 -0.008 0.000 2.548 121 G HA2 -0.189 3.771 3.960 0.000 0.000 0.208 121 G HA3 -0.189 3.771 3.960 0.000 0.000 0.208 121 G C -2.840 172.053 174.900 -0.012 0.000 1.308 121 G CA -1.200 43.894 45.100 -0.009 0.000 0.924 121 G HN 0.034 nan 8.290 nan 0.000 0.540 122 P HA 0.556 nan 4.420 nan 0.000 0.276 122 P C 0.115 177.399 177.300 -0.027 0.000 1.244 122 P CA -0.721 62.367 63.100 -0.019 0.000 0.801 122 P CB 0.484 32.173 31.700 -0.019 0.000 1.006 123 I N 1.650 122.200 120.570 -0.033 0.000 2.416 123 I HA 0.042 4.212 4.170 0.000 0.000 0.288 123 I C 0.605 176.687 176.117 -0.058 0.000 1.051 123 I CA -0.079 61.193 61.300 -0.046 0.000 1.375 123 I CB -0.057 37.912 38.000 -0.051 0.000 1.407 123 I HN 0.381 nan 8.210 nan 0.000 0.516 124 D N 6.287 126.646 120.400 -0.068 0.000 2.435 124 D HA 0.362 5.002 4.640 0.000 0.000 0.230 124 D C -0.113 176.113 176.300 -0.123 0.000 1.215 124 D CA -0.073 53.879 54.000 -0.081 0.000 0.947 124 D CB 0.394 41.149 40.800 -0.075 0.000 1.048 124 D HN 0.607 nan 8.370 nan 0.000 0.512 125 A N 2.860 125.610 122.820 -0.116 0.000 2.306 125 A HA 0.644 4.964 4.320 0.000 0.000 0.314 125 A C 0.985 178.476 177.584 -0.154 0.000 1.164 125 A CA -0.131 51.816 52.037 -0.151 0.000 0.822 125 A CB 1.451 20.384 19.000 -0.110 0.000 1.130 125 A HN 0.588 nan 8.150 nan 0.000 0.496 126 A N 1.876 124.561 122.820 -0.225 0.000 1.975 126 A HA 0.525 4.845 4.320 0.000 0.000 0.215 126 A C 1.175 178.719 177.584 -0.067 0.000 1.170 126 A CA 1.611 53.551 52.037 -0.161 0.000 0.656 126 A CB -0.283 18.566 19.000 -0.253 0.000 0.821 126 A HN 1.939 nan 8.150 nan 0.000 0.449 127 G N -1.437 107.318 108.800 -0.075 0.000 2.578 127 G HA2 0.550 4.510 3.960 0.000 0.000 0.302 127 G HA3 0.550 4.510 3.960 0.000 0.000 0.302 127 G C -1.422 173.460 174.900 -0.031 0.000 1.243 127 G CA -0.904 44.183 45.100 -0.022 0.000 0.843 127 G HN 0.205 nan 8.290 nan 0.000 0.486 128 R N -0.251 120.246 120.500 -0.006 0.000 2.574 128 R HA 0.664 5.004 4.340 0.000 0.000 0.288 128 R C -1.088 175.220 176.300 0.013 0.000 1.004 128 R CA -0.555 55.541 56.100 -0.007 0.000 0.895 128 R CB 2.299 32.593 30.300 -0.012 0.000 1.191 128 R HN 0.482 nan 8.270 nan 0.000 0.444 129 S N 1.672 117.382 115.700 0.017 0.000 2.578 129 S HA 0.489 4.959 4.470 0.000 0.000 0.301 129 S C -0.091 174.520 174.600 0.019 0.000 1.091 129 S CA -0.962 57.255 58.200 0.029 0.000 1.032 129 S CB 1.683 64.913 63.200 0.050 0.000 1.064 129 S HN 0.384 nan 8.310 nan 0.000 0.508 130 R N 0.441 120.953 120.500 0.019 0.000 2.679 130 R HA 0.350 4.690 4.340 0.000 0.000 0.269 130 R C 1.314 177.623 176.300 0.016 0.000 1.076 130 R CA -0.003 56.104 56.100 0.012 0.000 1.160 130 R CB 0.156 30.461 30.300 0.009 0.000 1.054 130 R HN 0.766 nan 8.270 nan 0.000 0.507 131 A N 1.743 124.564 122.820 0.001 0.000 1.872 131 A HA -0.082 4.238 4.320 0.000 0.000 0.214 131 A C 0.525 178.106 177.584 -0.005 0.000 1.187 131 A CA 1.039 53.079 52.037 0.006 0.000 0.614 131 A CB 0.090 19.070 19.000 -0.033 0.000 0.826 131 A HN 0.516 nan 8.150 nan 0.000 0.442 132 Q N 0.804 120.559 119.800 -0.075 0.000 2.441 132 Q HA 0.421 4.761 4.340 0.000 0.000 0.234 132 Q C -1.226 174.760 176.000 -0.023 0.000 1.078 132 Q CA 0.014 55.755 55.803 -0.104 0.000 0.907 132 Q CB 0.953 29.585 28.738 -0.177 0.000 1.269 132 Q HN 0.206 nan 8.270 nan 0.000 0.502 133 V N 2.593 122.517 119.914 0.017 0.000 2.435 133 V HA 0.276 4.396 4.120 0.000 0.000 0.290 133 V C 0.513 176.627 176.094 0.033 0.000 1.030 133 V CA -0.842 61.475 62.300 0.028 0.000 0.881 133 V CB 1.921 33.769 31.823 0.042 0.000 0.983 133 V HN 0.527 nan 8.190 nan 0.000 0.445 134 K N 2.725 123.143 120.400 0.031 0.000 2.382 134 K HA 0.487 4.807 4.320 0.000 0.000 0.275 134 K C 0.345 176.968 176.600 0.039 0.000 1.009 134 K CA -0.124 56.187 56.287 0.039 0.000 0.970 134 K CB 0.774 33.298 32.500 0.039 0.000 0.934 134 K HN 0.887 nan 8.250 nan 0.000 0.479 135 A N 5.044 127.890 122.820 0.043 0.000 2.407 135 A HA 0.283 4.603 4.320 0.000 0.000 0.248 135 A C -2.099 175.506 177.584 0.035 0.000 1.082 135 A CA -1.246 50.815 52.037 0.040 0.000 0.785 135 A CB -0.283 18.742 19.000 0.042 0.000 1.020 135 A HN 0.583 nan 8.150 nan 0.000 0.489 136 P HA 0.162 nan 4.420 nan 0.000 0.265 136 P C 0.606 177.922 177.300 0.027 0.000 1.193 136 P CA 0.412 63.526 63.100 0.023 0.000 0.765 136 P CB 0.440 32.151 31.700 0.019 0.000 0.823 137 G N 1.518 110.332 108.800 0.024 0.000 2.489 137 G HA2 0.151 4.111 3.960 0.000 0.000 0.271 137 G HA3 0.151 4.111 3.960 0.000 0.000 0.271 137 G C 1.066 175.980 174.900 0.024 0.000 1.427 137 G CA -0.550 44.566 45.100 0.025 0.000 1.057 137 G HN 0.336 nan 8.290 nan 0.000 0.532 138 I N -0.901 119.683 120.570 0.023 0.000 2.226 138 I HA -0.086 4.084 4.170 0.000 0.000 0.245 138 I C 2.565 178.693 176.117 0.018 0.000 1.100 138 I CA 0.735 62.048 61.300 0.022 0.000 1.374 138 I CB -0.273 37.739 38.000 0.020 0.000 1.057 138 I HN 0.265 nan 8.210 nan 0.000 0.413 139 L N 0.708 121.940 121.223 0.015 0.000 2.068 139 L HA -0.008 4.332 4.340 0.000 0.000 0.204 139 L C -0.499 176.377 176.870 0.011 0.000 1.076 139 L CA 1.780 56.627 54.840 0.012 0.000 0.753 139 L CB -1.561 40.503 42.059 0.009 0.000 0.910 139 L HN 0.138 nan 8.230 nan 0.000 0.439 140 P HA -0.084 nan 4.420 nan 0.000 0.231 140 P C -0.119 177.189 177.300 0.013 0.000 1.158 140 P CA 0.923 64.028 63.100 0.008 0.000 0.763 140 P CB 0.022 31.726 31.700 0.006 0.000 0.805 141 R N -0.297 120.214 120.500 0.018 0.000 2.607 141 R HA 0.632 4.972 4.340 0.000 0.000 0.261 141 R C 0.424 176.741 176.300 0.029 0.000 1.051 141 R CA -0.719 55.397 56.100 0.026 0.000 1.110 141 R CB 1.314 31.631 30.300 0.028 0.000 1.158 141 R HN -0.105 nan 8.270 nan 0.000 0.543 142 R N 0.223 120.747 120.500 0.041 0.000 2.643 142 R HA 0.156 4.496 4.340 0.000 0.000 0.269 142 R C -1.114 175.226 176.300 0.065 0.000 1.037 142 R CA -0.490 55.640 56.100 0.050 0.000 0.894 142 R CB 1.999 32.338 30.300 0.064 0.000 1.238 142 R HN 0.911 nan 8.270 nan 0.000 0.459 143 S N 1.731 117.467 115.700 0.060 0.000 2.552 143 S HA 0.078 4.548 4.470 0.000 0.000 0.289 143 S C 0.803 175.476 174.600 0.123 0.000 1.304 143 S CA -0.606 57.635 58.200 0.069 0.000 1.063 143 S CB 0.541 63.769 63.200 0.047 0.000 0.848 143 S HN 0.476 nan 8.310 nan 0.000 0.499 144 V N 2.282 122.249 119.914 0.089 0.000 2.673 144 V HA 0.279 4.399 4.120 0.000 0.000 0.303 144 V C 1.135 177.301 176.094 0.120 0.000 1.046 144 V CA 0.344 62.687 62.300 0.071 0.000 1.126 144 V CB -0.270 31.565 31.823 0.021 0.000 0.934 144 V HN 1.199 nan 8.190 nan 0.000 0.487 145 H N 0.937 119.991 119.070 -0.027 0.000 3.726 145 H HA 0.425 4.981 4.556 0.000 0.000 0.262 145 H C -0.216 175.074 175.328 -0.063 0.000 1.181 145 H CA -0.320 55.706 56.048 -0.036 0.000 1.143 145 H CB 0.282 30.029 29.762 -0.025 0.000 1.627 145 H HN 0.717 nan 8.280 nan 0.000 0.750 146 E N 3.545 123.492 120.200 -0.420 0.000 2.171 146 E HA 0.370 4.720 4.350 0.000 0.000 0.271 146 E C -2.790 173.644 176.600 -0.276 0.000 0.916 146 E CA -2.178 53.984 56.400 -0.396 0.000 0.774 146 E CB 2.316 31.700 29.700 -0.526 0.000 1.128 146 E HN 0.171 nan 8.360 nan 0.000 0.403 147 P HA 0.046 nan 4.420 nan 0.000 0.275 147 P C -0.625 176.520 177.300 -0.259 0.000 1.227 147 P CA -0.369 62.607 63.100 -0.206 0.000 0.781 147 P CB 0.753 32.346 31.700 -0.179 0.000 0.906 148 V N 4.439 124.244 119.914 -0.181 0.000 2.288 148 V HA 0.159 4.279 4.120 0.000 0.000 0.266 148 V C 0.614 176.644 176.094 -0.106 0.000 1.048 148 V CA -0.239 61.960 62.300 -0.169 0.000 0.842 148 V CB -0.050 31.708 31.823 -0.108 0.000 1.064 148 V HN 0.471 nan 8.190 nan 0.000 0.472 149 Q N 2.312 122.038 119.800 -0.124 0.000 2.307 149 Q HA 0.156 4.496 4.340 0.000 0.000 0.261 149 Q C 1.397 177.451 176.000 0.089 0.000 1.051 149 Q CA 0.141 55.954 55.803 0.017 0.000 0.911 149 Q CB 1.146 29.960 28.738 0.126 0.000 1.227 149 Q HN 0.934 nan 8.270 nan 0.000 0.418 150 T N -1.065 113.528 114.554 0.065 0.000 3.014 150 T HA 0.111 4.461 4.350 0.000 0.000 0.263 150 T C 1.384 176.133 174.700 0.082 0.000 1.078 150 T CA 0.526 62.666 62.100 0.066 0.000 1.135 150 T CB 0.091 68.984 68.868 0.041 0.000 0.895 150 T HN 0.843 nan 8.240 nan 0.000 0.480 151 G N 1.193 110.045 108.800 0.088 0.000 2.176 151 G HA2 -0.183 3.777 3.960 0.000 0.000 0.253 151 G HA3 -0.183 3.777 3.960 0.000 0.000 0.253 151 G C -0.099 174.834 174.900 0.055 0.000 0.979 151 G CA 0.124 45.269 45.100 0.075 0.000 0.641 151 G HN 0.638 nan 8.290 nan 0.000 0.530 152 L N 0.430 121.683 121.223 0.051 0.000 2.265 152 L HA 0.419 4.759 4.340 0.000 0.000 0.289 152 L C 1.697 178.595 176.870 0.047 0.000 1.033 152 L CA -0.891 53.975 54.840 0.043 0.000 0.814 152 L CB 1.285 43.365 42.059 0.035 0.000 1.203 152 L HN 0.036 nan 8.230 nan 0.000 0.423 153 K N 2.362 122.792 120.400 0.049 0.000 2.034 153 K HA -0.258 4.062 4.320 0.000 0.000 0.214 153 K C 2.000 178.632 176.600 0.052 0.000 1.051 153 K CA 1.976 58.295 56.287 0.053 0.000 0.931 153 K CB -0.145 32.389 32.500 0.057 0.000 0.715 153 K HN 0.812 nan 8.250 nan 0.000 0.446 154 A N 0.794 123.645 122.820 0.051 0.000 1.933 154 A HA -0.120 4.200 4.320 0.000 0.000 0.218 154 A C 2.380 179.996 177.584 0.054 0.000 1.175 154 A CA 1.518 53.588 52.037 0.055 0.000 0.628 154 A CB -0.525 18.510 19.000 0.058 0.000 0.814 154 A HN 0.093 nan 8.150 nan 0.000 0.444 155 V N 0.304 120.246 119.914 0.048 0.000 2.273 155 V HA -0.174 3.946 4.120 0.000 0.000 0.242 155 V C 2.158 178.276 176.094 0.040 0.000 1.035 155 V CA 2.089 64.415 62.300 0.043 0.000 1.013 155 V CB -0.814 31.032 31.823 0.037 0.000 0.652 155 V HN 0.452 nan 8.190 nan 0.000 0.452 156 D N 0.551 120.975 120.400 0.040 0.000 2.149 156 D HA -0.129 4.511 4.640 0.000 0.000 0.198 156 D C 2.078 178.400 176.300 0.037 0.000 0.990 156 D CA 1.718 55.740 54.000 0.036 0.000 0.839 156 D CB -0.188 40.637 40.800 0.043 0.000 0.948 156 D HN 0.453 nan 8.370 nan 0.000 0.460 157 A N -0.411 122.436 122.820 0.044 0.000 1.975 157 A HA 0.079 4.399 4.320 0.000 0.000 0.215 157 A C 2.169 179.781 177.584 0.046 0.000 1.170 157 A CA 0.565 52.630 52.037 0.045 0.000 0.656 157 A CB -0.110 18.919 19.000 0.049 0.000 0.821 157 A HN 0.205 nan 8.150 nan 0.000 0.449 158 L N -1.061 120.191 121.223 0.050 0.000 2.577 158 L HA 0.165 4.505 4.340 0.000 0.000 0.225 158 L C 0.098 176.998 176.870 0.050 0.000 1.053 158 L CA 0.281 55.154 54.840 0.055 0.000 0.866 158 L CB 0.678 42.777 42.059 0.066 0.000 1.132 158 L HN 0.183 nan 8.230 nan 0.000 0.486 159 V N -2.084 117.858 119.914 0.046 0.000 2.464 159 V HA 0.418 4.538 4.120 0.000 0.000 0.255 159 V C -2.777 173.335 176.094 0.030 0.000 0.946 159 V CA -1.681 60.644 62.300 0.041 0.000 0.988 159 V CB 0.027 31.878 31.823 0.048 0.000 1.210 159 V HN -0.094 nan 8.190 nan 0.000 0.523 160 P HA 0.426 nan 4.420 nan 0.000 0.271 160 P C -0.357 176.945 177.300 0.003 0.000 1.216 160 P CA 0.210 63.317 63.100 0.012 0.000 0.776 160 P CB 1.595 33.301 31.700 0.010 0.000 0.881 161 I N 1.771 122.335 120.570 -0.010 0.000 2.377 161 I HA 0.439 4.609 4.170 0.000 0.000 0.293 161 I C 1.144 177.235 176.117 -0.044 0.000 0.987 161 I CA -0.545 60.744 61.300 -0.018 0.000 1.185 161 I CB 1.778 39.768 38.000 -0.016 0.000 1.341 161 I HN 0.314 nan 8.210 nan 0.000 0.455 162 G N 4.865 113.642 108.800 -0.040 0.000 2.451 162 G HA2 0.468 4.429 3.960 0.000 0.000 0.303 162 G HA3 0.468 4.429 3.960 0.000 0.000 0.303 162 G C -0.332 174.524 174.900 -0.073 0.000 1.166 162 G CA -0.795 44.267 45.100 -0.065 0.000 0.884 162 G HN 0.549 nan 8.290 nan 0.000 0.514 163 R N 0.290 120.721 120.500 -0.115 0.000 2.296 163 R HA 0.412 4.752 4.340 0.000 0.000 0.323 163 R C 1.045 177.330 176.300 -0.024 0.000 1.067 163 R CA 0.830 56.874 56.100 -0.093 0.000 0.946 163 R CB 0.751 30.941 30.300 -0.184 0.000 0.991 163 R HN 1.022 nan 8.270 nan 0.000 0.448 164 G N 1.891 110.696 108.800 0.008 0.000 2.201 164 G HA2 -0.268 3.692 3.960 0.000 0.000 0.212 164 G HA3 -0.268 3.692 3.960 0.000 0.000 0.212 164 G C 0.195 175.109 174.900 0.023 0.000 0.994 164 G CA -0.239 44.878 45.100 0.028 0.000 0.644 164 G HN 0.568 nan 8.290 nan 0.000 0.508 165 Q N 0.318 120.124 119.800 0.010 0.000 2.382 165 Q HA 0.661 5.001 4.340 0.000 0.000 0.229 165 Q C 0.026 176.036 176.000 0.017 0.000 1.006 165 Q CA -0.437 55.374 55.803 0.013 0.000 0.916 165 Q CB 0.428 29.169 28.738 0.005 0.000 1.235 165 Q HN 0.448 nan 8.270 nan 0.000 0.512 166 R N 1.993 122.505 120.500 0.022 0.000 2.409 166 R HA 0.303 4.643 4.340 0.000 0.000 0.313 166 R C -1.413 174.900 176.300 0.021 0.000 0.953 166 R CA -0.615 55.500 56.100 0.025 0.000 0.849 166 R CB 1.591 31.909 30.300 0.030 0.000 1.171 166 R HN 0.415 nan 8.270 nan 0.000 0.458 167 E N 3.273 123.484 120.200 0.019 0.000 2.267 167 E HA 0.171 4.521 4.350 0.000 0.000 0.248 167 E C -1.422 175.190 176.600 0.020 0.000 0.899 167 E CA -0.888 55.524 56.400 0.020 0.000 0.764 167 E CB 0.936 30.646 29.700 0.017 0.000 1.227 167 E HN 0.403 nan 8.360 nan 0.000 0.421 168 L N 5.025 126.261 121.223 0.021 0.000 2.453 168 L HA 0.367 4.707 4.340 0.000 0.000 0.272 168 L C -0.796 176.090 176.870 0.026 0.000 1.182 168 L CA 0.501 55.351 54.840 0.017 0.000 0.858 168 L CB 0.317 42.385 42.059 0.015 0.000 1.120 168 L HN 0.623 nan 8.230 nan 0.000 0.474 169 I N 7.021 127.599 120.570 0.013 0.000 2.330 169 I HA 0.398 4.568 4.170 0.000 0.000 0.289 169 I C -0.317 175.798 176.117 -0.002 0.000 1.001 169 I CA -0.158 61.147 61.300 0.008 0.000 1.193 169 I CB 1.184 39.181 38.000 -0.004 0.000 1.345 169 I HN 0.566 nan 8.210 nan 0.000 0.461 170 I N 5.401 125.976 120.570 0.009 0.000 2.582 170 I HA 0.868 5.038 4.170 0.000 0.000 0.292 170 I C -0.334 175.710 176.117 -0.122 0.000 1.066 170 I CA -0.020 61.290 61.300 0.016 0.000 1.053 170 I CB 1.968 40.047 38.000 0.132 0.000 1.241 170 I HN 0.703 nan 8.210 nan 0.000 0.421 171 G N 4.974 113.683 108.800 -0.151 0.000 2.441 171 G HA2 0.206 4.166 3.960 0.000 0.000 0.294 171 G HA3 0.206 4.166 3.960 0.000 0.000 0.294 171 G C -1.911 172.894 174.900 -0.158 0.000 1.393 171 G CA -0.676 44.231 45.100 -0.322 0.000 0.796 171 G HN 0.471 nan 8.290 nan 0.000 0.494 172 D N 0.094 120.394 120.400 -0.167 0.000 2.363 172 D HA 0.351 4.991 4.640 0.000 0.000 0.240 172 D C 1.263 177.494 176.300 -0.116 0.000 1.236 172 D CA -0.135 53.810 54.000 -0.090 0.000 0.927 172 D CB 0.579 41.339 40.800 -0.066 0.000 1.150 172 D HN 0.652 nan 8.370 nan 0.000 0.458 173 R N 0.689 121.144 120.500 -0.074 0.000 2.698 173 R HA -0.038 4.302 4.340 0.000 0.000 0.266 173 R C -0.261 175.956 176.300 -0.140 0.000 1.026 173 R CA -0.024 56.028 56.100 -0.080 0.000 1.102 173 R CB 0.234 30.513 30.300 -0.034 0.000 0.978 173 R HN 0.249 nan 8.270 nan 0.000 0.436 174 Q N 0.776 120.474 119.800 -0.171 0.000 2.463 174 Q HA -0.144 4.196 4.340 0.000 0.000 0.299 174 Q C -0.019 175.602 176.000 -0.631 0.000 1.353 174 Q CA 1.607 57.251 55.803 -0.264 0.000 0.828 174 Q CB -1.763 26.901 28.738 -0.124 0.000 1.157 174 Q HN 0.996 nan 8.270 nan 0.000 0.436 175 T N -5.119 109.046 114.554 -0.649 0.000 3.010 175 T HA 0.441 4.791 4.350 0.000 0.000 0.257 175 T C 1.096 175.307 174.700 -0.815 0.000 1.020 175 T CA 0.630 62.170 62.100 -0.933 0.000 0.938 175 T CB 1.130 69.718 68.868 -0.466 0.000 1.049 175 T HN 0.872 nan 8.240 nan 0.000 0.522 176 G N 1.966 110.460 108.800 -0.509 0.000 2.173 176 G HA2 -0.211 3.749 3.960 0.000 0.000 0.174 176 G HA3 -0.211 3.749 3.960 0.000 0.000 0.174 176 G C 0.603 175.435 174.900 -0.114 0.000 1.025 176 G CA 0.149 45.132 45.100 -0.195 0.000 0.706 176 G HN 0.483 nan 8.290 nan 0.000 0.499 177 K N -0.511 119.813 120.400 -0.127 0.000 2.025 177 K HA -0.030 4.290 4.320 0.000 0.000 0.207 177 K C 2.566 179.152 176.600 -0.024 0.000 1.049 177 K CA 1.761 58.004 56.287 -0.074 0.000 0.933 177 K CB -0.255 32.199 32.500 -0.077 0.000 0.714 177 K HN 0.312 nan 8.250 nan 0.000 0.438 178 T N 1.431 115.980 114.554 -0.009 0.000 2.746 178 T HA -0.135 4.215 4.350 0.000 0.000 0.267 178 T C 2.069 176.767 174.700 -0.004 0.000 1.039 178 T CA 1.351 63.472 62.100 0.035 0.000 1.142 178 T CB -0.313 68.585 68.868 0.049 0.000 0.866 178 T HN 0.320 nan 8.240 nan 0.000 0.444 179 A N 1.016 123.811 122.820 -0.041 0.000 1.986 179 A HA -0.093 4.227 4.320 0.000 0.000 0.220 179 A C 2.556 180.104 177.584 -0.059 0.000 1.171 179 A CA 1.490 53.477 52.037 -0.083 0.000 0.640 179 A CB -1.020 17.920 19.000 -0.100 0.000 0.811 179 A HN 0.382 nan 8.150 nan 0.000 0.451 180 V N -0.451 119.447 119.914 -0.026 0.000 2.283 180 V HA -0.192 3.928 4.120 0.000 0.000 0.243 180 V C 3.057 179.156 176.094 0.007 0.000 1.039 180 V CA 1.860 64.155 62.300 -0.008 0.000 1.016 180 V CB -1.309 30.513 31.823 -0.001 0.000 0.650 180 V HN 0.609 nan 8.190 nan 0.000 0.449 181 A N -0.185 122.648 122.820 0.022 0.000 1.908 181 A HA -0.218 4.103 4.320 0.000 0.000 0.218 181 A C 2.183 179.789 177.584 0.036 0.000 1.181 181 A CA 2.212 54.277 52.037 0.047 0.000 0.627 181 A CB -0.624 18.435 19.000 0.097 0.000 0.818 181 A HN 0.447 nan 8.150 nan 0.000 0.445 182 L N -0.000 121.224 121.223 0.001 0.000 2.046 182 L HA -0.148 4.192 4.340 0.000 0.000 0.208 182 L C 1.666 178.535 176.870 -0.000 0.000 1.077 182 L CA 2.560 57.379 54.840 -0.036 0.000 0.747 182 L CB -0.603 41.414 42.059 -0.071 0.000 0.896 182 L HN 0.361 nan 8.230 nan 0.000 0.432 183 D N -1.468 118.930 120.400 -0.005 0.000 2.218 183 D HA -0.152 4.488 4.640 0.000 0.000 0.204 183 D C 2.032 178.365 176.300 0.054 0.000 0.976 183 D CA 1.472 55.485 54.000 0.022 0.000 0.853 183 D CB 0.003 40.798 40.800 -0.008 0.000 0.939 183 D HN 0.355 nan 8.370 nan 0.000 0.481 184 T N 0.067 114.650 114.554 0.048 0.000 2.777 184 T HA -0.072 4.278 4.350 0.000 0.000 0.266 184 T C 2.050 176.804 174.700 0.089 0.000 1.040 184 T CA 0.610 62.747 62.100 0.062 0.000 1.141 184 T CB -0.155 68.739 68.868 0.043 0.000 0.868 184 T HN 0.152 nan 8.240 nan 0.000 0.444 185 I N 0.816 121.442 120.570 0.093 0.000 2.142 185 I HA -0.123 4.047 4.170 0.000 0.000 0.240 185 I C 2.223 178.481 176.117 0.234 0.000 1.078 185 I CA 1.198 62.590 61.300 0.155 0.000 1.343 185 I CB -0.420 37.641 38.000 0.101 0.000 1.046 185 I HN 0.174 nan 8.210 nan 0.000 0.405 186 L N 0.434 121.754 121.223 0.163 0.000 2.127 186 L HA -0.241 4.099 4.340 0.000 0.000 0.211 186 L C 2.212 179.193 176.870 0.185 0.000 1.089 186 L CA 1.293 56.250 54.840 0.196 0.000 0.757 186 L CB -0.804 41.354 42.059 0.164 0.000 0.899 186 L HN 0.345 nan 8.230 nan 0.000 0.434 187 N N -0.351 118.431 118.700 0.137 0.000 2.309 187 N HA -0.168 4.572 4.740 0.000 0.000 0.182 187 N C 1.799 177.353 175.510 0.074 0.000 1.018 187 N CA 0.782 53.888 53.050 0.093 0.000 0.876 187 N CB 0.081 38.645 38.487 0.128 0.000 0.972 187 N HN 0.195 nan 8.380 nan 0.000 0.434 188 Q N 0.348 120.208 119.800 0.101 0.000 2.508 188 Q HA -0.073 4.267 4.340 0.000 0.000 0.214 188 Q C 1.446 177.297 176.000 -0.249 0.000 0.979 188 Q CA 0.514 56.321 55.803 0.006 0.000 0.911 188 Q CB -0.209 28.393 28.738 -0.227 0.000 0.969 188 Q HN 0.469 nan 8.270 nan 0.000 0.504 189 K N 0.832 121.153 120.400 -0.132 0.000 2.360 189 K HA -0.115 4.205 4.320 0.000 0.000 0.201 189 K C 1.753 178.214 176.600 -0.231 0.000 1.046 189 K CA 0.688 56.931 56.287 -0.073 0.000 0.940 189 K CB 0.143 32.694 32.500 0.086 0.000 0.748 189 K HN 0.116 nan 8.250 nan 0.000 0.465 190 R N -1.026 119.200 120.500 -0.456 0.000 2.115 190 R HA -0.097 4.243 4.340 0.000 0.000 0.230 190 R C 1.424 177.210 176.300 -0.856 0.000 1.111 190 R CA 1.334 56.921 56.100 -0.855 0.000 0.976 190 R CB 0.079 29.408 30.300 -1.618 0.000 0.870 190 R HN 0.381 nan 8.270 nan 0.000 0.445 191 W N -1.120 120.082 121.300 -0.163 0.000 2.873 191 W HA 0.226 4.887 4.660 0.000 0.000 0.282 191 W C 0.922 177.323 176.519 -0.196 0.000 1.118 191 W CA -0.497 56.751 57.345 -0.162 0.000 1.480 191 W CB -0.151 29.208 29.460 -0.168 0.000 0.954 191 W HN 0.034 nan 8.180 nan 0.000 0.591 192 N N 1.396 120.035 118.700 -0.102 0.000 2.457 192 N HA -0.095 4.645 4.740 0.000 0.000 0.180 192 N C 0.934 176.404 175.510 -0.066 0.000 1.050 192 N CA 0.895 53.820 53.050 -0.208 0.000 0.906 192 N CB -0.395 37.760 38.487 -0.555 0.000 0.968 192 N HN 0.124 nan 8.380 nan 0.000 0.445 193 N N -0.143 118.529 118.700 -0.047 0.000 2.422 193 N HA 0.057 4.797 4.740 0.000 0.000 0.181 193 N C 1.094 176.602 175.510 -0.003 0.000 1.080 193 N CA 0.229 53.274 53.050 -0.008 0.000 0.893 193 N CB 0.071 38.543 38.487 -0.025 0.000 0.973 193 N HN 0.135 nan 8.380 nan 0.000 0.456 194 G N -0.819 107.980 108.800 -0.003 0.000 2.494 194 G HA2 0.223 4.183 3.960 0.000 0.000 0.270 194 G HA3 0.223 4.183 3.960 0.000 0.000 0.270 194 G C 0.637 175.560 174.900 0.039 0.000 1.423 194 G CA -0.265 44.846 45.100 0.017 0.000 1.055 194 G HN 0.130 nan 8.290 nan 0.000 0.536 195 S N -1.028 114.699 115.700 0.046 0.000 2.468 195 S HA 0.067 4.537 4.470 0.000 0.000 0.226 195 S C 0.604 175.242 174.600 0.064 0.000 1.051 195 S CA 0.039 58.271 58.200 0.053 0.000 0.943 195 S CB 0.076 63.301 63.200 0.042 0.000 0.810 195 S HN 0.620 nan 8.310 nan 0.000 0.509 196 D N 2.260 122.699 120.400 0.065 0.000 2.382 196 D HA 0.075 4.715 4.640 0.000 0.000 0.259 196 D C 0.946 177.289 176.300 0.071 0.000 1.224 196 D CA 0.220 54.258 54.000 0.064 0.000 0.894 196 D CB 0.554 41.389 40.800 0.058 0.000 1.127 196 D HN -0.021 nan 8.370 nan 0.000 0.487 197 E N 1.673 121.924 120.200 0.085 0.000 2.152 197 E HA -0.121 4.229 4.350 0.000 0.000 0.192 197 E C 1.876 178.558 176.600 0.136 0.000 0.983 197 E CA 0.670 57.144 56.400 0.122 0.000 0.818 197 E CB -0.112 29.668 29.700 0.133 0.000 0.758 197 E HN 0.613 nan 8.360 nan 0.000 0.467 198 S N 0.679 116.441 115.700 0.103 0.000 2.423 198 S HA -0.024 4.446 4.470 0.000 0.000 0.231 198 S C 1.725 176.312 174.600 -0.021 0.000 1.014 198 S CA 0.605 58.880 58.200 0.126 0.000 0.965 198 S CB 0.021 63.267 63.200 0.077 0.000 0.785 198 S HN 0.004 nan 8.310 nan 0.000 0.495 199 K N 1.197 121.554 120.400 -0.072 0.000 2.365 199 K HA 0.227 4.547 4.320 0.000 0.000 0.197 199 K C 0.412 176.876 176.600 -0.227 0.000 1.042 199 K CA 0.309 56.459 56.287 -0.229 0.000 0.987 199 K CB -0.011 32.399 32.500 -0.150 0.000 0.779 199 K HN 0.466 nan 8.250 nan 0.000 0.484 200 K N 1.066 121.413 120.400 -0.087 0.000 2.237 200 K HA 0.164 4.484 4.320 0.000 0.000 0.270 200 K C -0.558 175.921 176.600 -0.202 0.000 1.015 200 K CA -0.344 55.844 56.287 -0.165 0.000 0.949 200 K CB 0.614 33.005 32.500 -0.181 0.000 0.976 200 K HN -0.184 nan 8.250 nan 0.000 0.472 201 L N 3.912 124.915 121.223 -0.367 0.000 2.491 201 L HA 0.301 4.641 4.340 0.000 0.000 0.267 201 L C -1.763 174.888 176.870 -0.365 0.000 0.971 201 L CA -0.363 54.323 54.840 -0.256 0.000 0.857 201 L CB 0.780 42.719 42.059 -0.200 0.000 1.226 201 L HN 0.468 nan 8.230 nan 0.000 0.408 202 Y N 2.980 123.157 120.300 -0.204 0.000 2.310 202 Y HA 0.525 5.075 4.550 0.000 0.000 0.326 202 Y C 0.407 176.191 175.900 -0.193 0.000 1.151 202 Y CA -0.135 57.802 58.100 -0.270 0.000 1.195 202 Y CB 1.242 39.229 38.460 -0.788 0.000 1.210 202 Y HN 0.494 nan 8.280 nan 0.000 0.483 203 C N 2.909 122.275 119.300 0.111 0.000 2.351 203 C HA 0.680 5.140 4.460 0.000 0.000 0.326 203 C C -0.397 174.633 174.990 0.067 0.000 1.272 203 C CA -1.106 57.965 59.018 0.089 0.000 1.650 203 C CB 0.439 28.278 27.740 0.165 0.000 2.257 203 C HN 0.544 nan 8.230 nan 0.000 0.505 204 V N 3.737 123.671 119.914 0.034 0.000 2.378 204 V HA 0.283 4.403 4.120 0.000 0.000 0.288 204 V C -0.905 175.203 176.094 0.024 0.000 1.016 204 V CA -0.540 61.779 62.300 0.033 0.000 0.840 204 V CB 0.950 32.778 31.823 0.010 0.000 0.994 204 V HN 0.800 nan 8.190 nan 0.000 0.431 205 Y N 5.303 125.569 120.300 -0.057 0.000 2.342 205 Y HA 0.630 5.180 4.550 0.000 0.000 0.338 205 Y C -0.245 175.626 175.900 -0.049 0.000 0.965 205 Y CA -0.682 57.379 58.100 -0.066 0.000 1.159 205 Y CB 1.549 39.984 38.460 -0.042 0.000 1.157 205 Y HN 0.443 nan 8.280 nan 0.000 0.486 206 V N 5.979 125.585 119.914 -0.513 0.000 2.350 206 V HA 0.612 4.732 4.120 0.000 0.000 0.276 206 V C 0.100 175.907 176.094 -0.479 0.000 1.028 206 V CA -0.743 61.356 62.300 -0.335 0.000 0.860 206 V CB 0.755 32.489 31.823 -0.149 0.000 0.990 206 V HN 0.922 nan 8.190 nan 0.000 0.453 207 A N 5.307 127.980 122.820 -0.246 0.000 2.366 207 A HA 0.683 5.004 4.320 0.000 0.000 0.322 207 A C -0.351 177.210 177.584 -0.040 0.000 1.397 207 A CA -0.367 51.598 52.037 -0.121 0.000 0.984 207 A CB 0.371 19.417 19.000 0.076 0.000 1.149 207 A HN 0.688 nan 8.150 nan 0.000 0.540 208 V N 2.659 122.549 119.914 -0.041 0.000 2.328 208 V HA 0.598 4.718 4.120 0.000 0.000 0.278 208 V C 1.243 177.356 176.094 0.032 0.000 1.021 208 V CA 0.693 62.997 62.300 0.007 0.000 0.838 208 V CB 0.506 32.334 31.823 0.007 0.000 0.999 208 V HN 1.659 nan 8.190 nan 0.000 0.447 209 G N 4.011 112.840 108.800 0.049 0.000 2.179 209 G HA2 -0.232 3.728 3.960 0.000 0.000 0.260 209 G HA3 -0.232 3.728 3.960 0.000 0.000 0.260 209 G C 0.203 175.134 174.900 0.051 0.000 0.977 209 G CA 0.265 45.399 45.100 0.056 0.000 0.641 209 G HN 0.613 nan 8.290 nan 0.000 0.533 210 Q N 0.042 119.872 119.800 0.050 0.000 2.396 210 Q HA 0.534 4.874 4.340 0.000 0.000 0.221 210 Q C 0.488 176.519 176.000 0.052 0.000 1.025 210 Q CA -0.256 55.580 55.803 0.055 0.000 0.946 210 Q CB 0.645 29.427 28.738 0.073 0.000 1.224 210 Q HN 0.375 nan 8.270 nan 0.000 0.539 211 K N 0.709 121.139 120.400 0.049 0.000 2.295 211 K HA 0.092 4.412 4.320 0.000 0.000 0.270 211 K C 0.925 177.552 176.600 0.044 0.000 1.011 211 K CA -0.073 56.240 56.287 0.042 0.000 0.953 211 K CB 0.696 33.218 32.500 0.037 0.000 0.956 211 K HN 0.418 nan 8.250 nan 0.000 0.477 212 R N 0.727 121.250 120.500 0.038 0.000 2.081 212 R HA -0.166 4.174 4.340 0.000 0.000 0.235 212 R C 2.277 178.595 176.300 0.031 0.000 1.131 212 R CA 2.080 58.202 56.100 0.036 0.000 0.960 212 R CB -0.226 30.092 30.300 0.030 0.000 0.856 212 R HN 0.802 nan 8.270 nan 0.000 0.436 213 S N -0.276 115.440 115.700 0.027 0.000 2.383 213 S HA -0.142 4.328 4.470 0.000 0.000 0.229 213 S C 1.932 176.545 174.600 0.022 0.000 1.030 213 S CA 1.772 59.985 58.200 0.021 0.000 1.002 213 S CB -0.530 62.682 63.200 0.019 0.000 0.829 213 S HN 0.210 nan 8.310 nan 0.000 0.467 214 T N 2.293 116.865 114.554 0.030 0.000 2.746 214 T HA -0.016 4.334 4.350 0.000 0.000 0.267 214 T C 1.921 176.641 174.700 0.033 0.000 1.039 214 T CA 1.480 63.601 62.100 0.034 0.000 1.142 214 T CB -0.558 68.338 68.868 0.048 0.000 0.866 214 T HN 0.320 nan 8.240 nan 0.000 0.444 215 V N 1.698 121.641 119.914 0.048 0.000 2.358 215 V HA -0.104 4.016 4.120 0.000 0.000 0.246 215 V C 2.900 179.005 176.094 0.017 0.000 1.047 215 V CA 1.549 63.883 62.300 0.057 0.000 1.035 215 V CB -1.220 30.653 31.823 0.083 0.000 0.658 215 V HN 0.509 nan 8.190 nan 0.000 0.452 216 A N -0.758 122.070 122.820 0.013 0.000 1.972 216 A HA -0.277 4.043 4.320 0.000 0.000 0.219 216 A C 2.188 179.761 177.584 -0.018 0.000 1.169 216 A CA 1.898 53.934 52.037 -0.001 0.000 0.635 216 A CB -0.428 18.574 19.000 0.003 0.000 0.810 216 A HN 0.634 nan 8.150 nan 0.000 0.446 217 Q N -1.121 118.669 119.800 -0.016 0.000 2.187 217 Q HA 0.044 4.384 4.340 0.000 0.000 0.199 217 Q C 2.083 178.050 176.000 -0.054 0.000 0.957 217 Q CA 1.047 56.833 55.803 -0.028 0.000 0.857 217 Q CB -0.170 28.560 28.738 -0.012 0.000 0.929 217 Q HN 0.713 nan 8.270 nan 0.000 0.453 218 L N -0.012 121.172 121.223 -0.064 0.000 2.056 218 L HA -0.149 4.191 4.340 0.000 0.000 0.207 218 L C 2.088 178.871 176.870 -0.145 0.000 1.078 218 L CA 0.777 55.542 54.840 -0.125 0.000 0.749 218 L CB -0.064 41.883 42.059 -0.186 0.000 0.901 218 L HN 0.017 nan 8.230 nan 0.000 0.433 219 V N -0.168 119.684 119.914 -0.103 0.000 2.295 219 V HA -0.327 3.793 4.120 0.000 0.000 0.246 219 V C 2.510 178.551 176.094 -0.087 0.000 1.049 219 V CA 2.014 64.260 62.300 -0.090 0.000 1.024 219 V CB -0.579 31.215 31.823 -0.049 0.000 0.648 219 V HN 0.567 nan 8.190 nan 0.000 0.447 220 Q N 0.193 119.950 119.800 -0.072 0.000 2.135 220 Q HA -0.195 4.145 4.340 0.000 0.000 0.204 220 Q C 2.110 178.057 176.000 -0.088 0.000 0.981 220 Q CA 2.585 58.348 55.803 -0.067 0.000 0.856 220 Q CB -0.700 28.007 28.738 -0.052 0.000 0.902 220 Q HN 0.621 nan 8.270 nan 0.000 0.425 221 T N 0.581 115.059 114.554 -0.126 0.000 2.777 221 T HA -0.063 4.287 4.350 0.000 0.000 0.266 221 T C 1.639 176.214 174.700 -0.207 0.000 1.040 221 T CA 1.271 63.252 62.100 -0.199 0.000 1.141 221 T CB -0.196 68.529 68.868 -0.238 0.000 0.868 221 T HN 0.237 nan 8.240 nan 0.000 0.444 222 L N 0.582 121.700 121.223 -0.175 0.000 2.093 222 L HA -0.076 4.264 4.340 0.000 0.000 0.208 222 L C 2.723 179.526 176.870 -0.112 0.000 1.085 222 L CA 1.373 56.115 54.840 -0.164 0.000 0.755 222 L CB -0.489 41.462 42.059 -0.180 0.000 0.904 222 L HN 0.321 nan 8.230 nan 0.000 0.435 223 E N -0.395 119.753 120.200 -0.088 0.000 2.106 223 E HA -0.267 4.083 4.350 0.000 0.000 0.192 223 E C 2.188 178.774 176.600 -0.022 0.000 0.984 223 E CA 0.879 57.243 56.400 -0.059 0.000 0.806 223 E CB -0.033 29.636 29.700 -0.052 0.000 0.750 223 E HN 0.470 nan 8.360 nan 0.000 0.458 224 Q N -0.244 119.558 119.800 0.002 0.000 2.170 224 Q HA -0.172 4.168 4.340 0.000 0.000 0.203 224 Q C 1.130 177.199 176.000 0.115 0.000 0.976 224 Q CA 1.172 57.006 55.803 0.052 0.000 0.858 224 Q CB 0.109 28.887 28.738 0.067 0.000 0.907 224 Q HN 0.336 nan 8.270 nan 0.000 0.433 225 H N -1.070 117.946 119.070 -0.089 0.000 2.551 225 H HA 0.078 4.634 4.556 0.000 0.000 0.271 225 H C -0.265 175.032 175.328 -0.052 0.000 0.984 225 H CA 0.653 56.663 56.048 -0.064 0.000 1.164 225 H CB 0.579 30.312 29.762 -0.049 0.000 1.437 225 H HN 0.212 nan 8.280 nan 0.000 0.550 226 D N -1.243 119.175 120.400 0.030 0.000 3.017 226 D HA -0.180 4.460 4.640 0.000 0.000 0.220 226 D C 1.047 177.295 176.300 -0.087 0.000 1.141 226 D CA 0.762 54.750 54.000 -0.018 0.000 0.848 226 D CB -1.232 39.570 40.800 0.004 0.000 1.102 226 D HN 0.441 nan 8.370 nan 0.000 0.427 227 A N -0.889 121.815 122.820 -0.192 0.000 2.169 227 A HA 0.171 4.491 4.320 0.000 0.000 0.210 227 A C 1.958 179.054 177.584 -0.813 0.000 1.168 227 A CA 1.080 52.753 52.037 -0.608 0.000 0.813 227 A CB -0.151 18.659 19.000 -0.317 0.000 0.861 227 A HN 0.288 nan 8.150 nan 0.000 0.481 228 M N 1.493 120.865 119.600 -0.381 0.000 2.149 228 M HA -0.181 4.299 4.480 0.000 0.000 0.261 228 M C 2.040 178.207 176.300 -0.221 0.000 1.064 228 M CA 2.172 57.318 55.300 -0.256 0.000 1.102 228 M CB -0.527 31.991 32.600 -0.138 0.000 1.369 228 M HN 0.531 nan 8.290 nan 0.000 0.408 229 K N -0.514 119.772 120.400 -0.190 0.000 2.211 229 K HA -0.209 4.111 4.320 0.000 0.000 0.204 229 K C 0.996 177.634 176.600 0.065 0.000 1.047 229 K CA 1.973 58.236 56.287 -0.040 0.000 0.935 229 K CB -0.972 31.541 32.500 0.023 0.000 0.728 229 K HN 0.626 nan 8.250 nan 0.000 0.452 230 Y N 0.386 120.732 120.300 0.077 0.000 2.555 230 Y HA 0.399 4.949 4.550 0.000 0.000 0.259 230 Y C -0.113 175.857 175.900 0.117 0.000 1.179 230 Y CA -0.992 57.181 58.100 0.122 0.000 1.230 230 Y CB -0.075 38.385 38.460 -0.001 0.000 1.146 230 Y HN 0.109 nan 8.280 nan 0.000 0.526 231 S N 0.214 115.941 115.700 0.045 0.000 2.671 231 S HA 0.827 5.297 4.470 0.000 0.000 0.299 231 S C -1.020 173.615 174.600 0.059 0.000 1.116 231 S CA -0.830 57.408 58.200 0.062 0.000 0.912 231 S CB 2.144 65.328 63.200 -0.027 0.000 1.130 231 S HN 0.210 nan 8.310 nan 0.000 0.501 232 I N 1.489 122.104 120.570 0.075 0.000 2.478 232 I HA 0.355 4.525 4.170 0.000 0.000 0.287 232 I C -1.150 175.012 176.117 0.076 0.000 1.042 232 I CA -0.782 60.562 61.300 0.073 0.000 1.067 232 I CB 1.710 39.771 38.000 0.102 0.000 1.233 232 I HN 0.504 nan 8.210 nan 0.000 0.431 233 I N 6.819 127.428 120.570 0.066 0.000 2.365 233 I HA 0.381 4.551 4.170 0.000 0.000 0.291 233 I C 0.002 176.158 176.117 0.065 0.000 1.004 233 I CA -0.741 60.616 61.300 0.095 0.000 1.311 233 I CB 1.430 39.482 38.000 0.088 0.000 1.401 233 I HN 0.153 nan 8.210 nan 0.000 0.491 234 V N 5.531 125.479 119.914 0.057 0.000 2.444 234 V HA 0.723 4.843 4.120 0.000 0.000 0.294 234 V C 0.119 176.226 176.094 0.022 0.000 1.022 234 V CA -0.642 61.673 62.300 0.026 0.000 0.850 234 V CB 1.596 33.424 31.823 0.009 0.000 0.992 234 V HN 0.883 nan 8.190 nan 0.000 0.426 235 A N 4.029 126.866 122.820 0.027 0.000 2.332 235 A HA 0.888 5.208 4.320 0.000 0.000 0.300 235 A C -0.062 177.540 177.584 0.029 0.000 1.153 235 A CA -0.295 51.762 52.037 0.034 0.000 0.764 235 A CB 1.412 20.443 19.000 0.051 0.000 1.174 235 A HN 1.325 nan 8.150 nan 0.000 0.467 236 A N 3.184 126.023 122.820 0.032 0.000 2.664 236 A HA 0.618 4.938 4.320 0.000 0.000 0.338 236 A C 0.584 178.200 177.584 0.053 0.000 1.280 236 A CA 0.052 52.116 52.037 0.046 0.000 0.809 236 A CB -0.495 18.537 19.000 0.054 0.000 1.114 236 A HN 1.220 nan 8.150 nan 0.000 0.479 237 T N -1.091 113.494 114.554 0.051 0.000 2.698 237 T HA 0.466 4.816 4.350 0.000 0.000 0.295 237 T C 1.583 176.316 174.700 0.055 0.000 1.007 237 T CA 0.078 62.209 62.100 0.051 0.000 0.980 237 T CB 0.807 69.703 68.868 0.047 0.000 1.036 237 T HN 1.010 nan 8.240 nan 0.000 0.526 238 A N 0.658 123.508 122.820 0.050 0.000 2.024 238 A HA -0.052 4.268 4.320 0.000 0.000 0.220 238 A C 2.485 180.098 177.584 0.047 0.000 1.164 238 A CA 1.841 53.908 52.037 0.050 0.000 0.643 238 A CB -1.302 17.724 19.000 0.044 0.000 0.806 238 A HN 1.016 nan 8.150 nan 0.000 0.451 239 S N -0.526 115.201 115.700 0.044 0.000 2.501 239 S HA 0.096 4.566 4.470 0.000 0.000 0.220 239 S C 0.538 175.165 174.600 0.046 0.000 0.997 239 S CA -0.179 58.045 58.200 0.040 0.000 0.919 239 S CB -0.131 63.089 63.200 0.033 0.000 0.778 239 S HN 0.641 nan 8.310 nan 0.000 0.523 240 E N 1.674 121.907 120.200 0.055 0.000 2.404 240 E HA 0.492 4.842 4.350 0.000 0.000 0.261 240 E C 0.168 176.816 176.600 0.080 0.000 1.074 240 E CA -0.210 56.231 56.400 0.068 0.000 0.917 240 E CB 0.502 30.247 29.700 0.074 0.000 0.965 240 E HN 0.465 nan 8.360 nan 0.000 0.433 241 A N 1.644 124.520 122.820 0.092 0.000 2.520 241 A HA 0.188 4.508 4.320 0.000 0.000 0.235 241 A C 1.279 178.940 177.584 0.130 0.000 1.065 241 A CA 0.611 52.706 52.037 0.096 0.000 0.764 241 A CB 0.287 19.347 19.000 0.099 0.000 1.002 241 A HN 0.796 nan 8.150 nan 0.000 0.502 242 A N 3.055 125.939 122.820 0.107 0.000 1.917 242 A HA -0.076 4.244 4.320 0.000 0.000 0.219 242 A C -0.168 177.553 177.584 0.228 0.000 1.182 242 A CA 2.143 54.261 52.037 0.136 0.000 0.633 242 A CB -1.663 17.386 19.000 0.083 0.000 0.819 242 A HN 0.649 nan 8.150 nan 0.000 0.448 243 P HA -0.103 nan 4.420 nan 0.000 0.218 243 P C 1.359 179.009 177.300 0.583 0.000 1.149 243 P CA 0.760 64.117 63.100 0.429 0.000 0.817 243 P CB -0.133 31.689 31.700 0.202 0.000 0.785 244 L N -0.989 120.503 121.223 0.448 0.000 2.083 244 L HA -0.205 4.135 4.340 0.000 0.000 0.209 244 L C 2.620 179.605 176.870 0.191 0.000 1.083 244 L CA 1.590 56.600 54.840 0.283 0.000 0.752 244 L CB -0.941 41.236 42.059 0.195 0.000 0.899 244 L HN 0.009 nan 8.230 nan 0.000 0.433 245 Q N -1.071 118.853 119.800 0.207 0.000 2.046 245 Q HA -0.246 4.094 4.340 0.000 0.000 0.200 245 Q C 2.166 178.286 176.000 0.200 0.000 0.975 245 Q CA 1.872 57.775 55.803 0.166 0.000 0.836 245 Q CB -0.398 28.436 28.738 0.159 0.000 0.896 245 Q HN 0.520 nan 8.270 nan 0.000 0.428 246 Y N 1.176 121.592 120.300 0.193 0.000 2.193 246 Y HA -0.260 4.290 4.550 0.000 0.000 0.285 246 Y C 1.856 177.937 175.900 0.302 0.000 1.166 246 Y CA 1.314 59.559 58.100 0.242 0.000 1.181 246 Y CB -0.239 38.407 38.460 0.311 0.000 0.976 246 Y HN 0.105 nan 8.280 nan 0.000 0.520 247 L N 0.677 121.847 121.223 -0.089 0.000 2.162 247 L HA 0.160 4.500 4.340 0.000 0.000 0.205 247 L C 2.569 179.435 176.870 -0.006 0.000 1.086 247 L CA 1.683 56.436 54.840 -0.145 0.000 0.778 247 L CB -1.272 40.772 42.059 -0.026 0.000 0.928 247 L HN 0.280 nan 8.230 nan 0.000 0.446 248 A N 0.626 123.438 122.820 -0.013 0.000 1.915 248 A HA -0.205 4.115 4.320 0.000 0.000 0.220 248 A C 0.028 177.587 177.584 -0.042 0.000 1.198 248 A CA 2.399 54.424 52.037 -0.020 0.000 0.647 248 A CB -2.200 16.797 19.000 -0.005 0.000 0.825 248 A HN 0.429 nan 8.150 nan 0.000 0.456 249 P HA -0.136 nan 4.420 nan 0.000 0.216 249 P C 0.972 178.120 177.300 -0.254 0.000 1.150 249 P CA 1.175 64.141 63.100 -0.222 0.000 0.837 249 P CB -0.179 31.118 31.700 -0.672 0.000 0.786 250 F N -0.399 119.480 119.950 -0.118 0.000 2.187 250 F HA -0.111 4.416 4.527 0.000 0.000 0.295 250 F C 2.497 178.268 175.800 -0.049 0.000 1.091 250 F CA 1.797 59.729 58.000 -0.113 0.000 1.308 250 F CB -1.981 36.898 39.000 -0.201 0.000 1.030 250 F HN -0.047 nan 8.300 nan 0.000 0.487 251 T N -1.772 112.854 114.554 0.119 0.000 2.821 251 T HA -0.064 4.286 4.350 0.000 0.000 0.267 251 T C 2.161 176.897 174.700 0.059 0.000 1.046 251 T CA 0.904 63.039 62.100 0.059 0.000 1.139 251 T CB -0.825 68.046 68.868 0.004 0.000 0.871 251 T HN 0.180 nan 8.240 nan 0.000 0.454 252 A N 1.912 124.768 122.820 0.059 0.000 1.933 252 A HA 0.314 4.634 4.320 0.000 0.000 0.218 252 A C 2.815 180.457 177.584 0.097 0.000 1.175 252 A CA 1.829 53.905 52.037 0.065 0.000 0.628 252 A CB -1.372 17.656 19.000 0.048 0.000 0.814 252 A HN 0.751 nan 8.150 nan 0.000 0.444 253 A N -0.439 122.460 122.820 0.131 0.000 1.902 253 A HA -0.068 4.253 4.320 0.000 0.000 0.217 253 A C 2.439 180.102 177.584 0.131 0.000 1.181 253 A CA 2.057 54.183 52.037 0.148 0.000 0.623 253 A CB -0.846 18.248 19.000 0.156 0.000 0.818 253 A HN 0.464 nan 8.150 nan 0.000 0.443 254 S N 0.006 115.775 115.700 0.116 0.000 2.368 254 S HA -0.117 4.353 4.470 0.000 0.000 0.225 254 S C 1.788 176.463 174.600 0.124 0.000 1.030 254 S CA 1.472 59.736 58.200 0.106 0.000 0.999 254 S CB -0.525 62.722 63.200 0.079 0.000 0.844 254 S HN 0.550 nan 8.310 nan 0.000 0.459 255 I N 1.573 122.211 120.570 0.113 0.000 2.208 255 I HA -0.169 4.001 4.170 0.000 0.000 0.245 255 I C 2.673 178.947 176.117 0.262 0.000 1.097 255 I CA 1.247 62.625 61.300 0.130 0.000 1.363 255 I CB -0.861 37.199 38.000 0.100 0.000 1.051 255 I HN 0.378 nan 8.210 nan 0.000 0.413 256 G N 0.190 109.140 108.800 0.250 0.000 2.402 256 G HA2 -0.196 3.764 3.960 0.000 0.000 0.216 256 G HA3 -0.196 3.764 3.960 0.000 0.000 0.216 256 G C 1.508 176.611 174.900 0.338 0.000 1.162 256 G CA 0.362 45.656 45.100 0.323 0.000 0.777 256 G HN 0.394 nan 8.290 nan 0.000 0.539 257 E N -0.693 119.635 120.200 0.214 0.000 2.204 257 E HA -0.152 4.198 4.350 0.000 0.000 0.195 257 E C 1.892 178.559 176.600 0.112 0.000 0.990 257 E CA 0.462 56.947 56.400 0.143 0.000 0.821 257 E CB -0.182 29.576 29.700 0.097 0.000 0.750 257 E HN 0.663 nan 8.360 nan 0.000 0.477 258 W N 0.625 121.893 121.300 -0.053 0.000 2.318 258 W HA -0.263 4.397 4.660 0.000 0.000 0.313 258 W C 1.512 177.881 176.519 -0.249 0.000 1.221 258 W CA 1.760 58.976 57.345 -0.216 0.000 1.266 258 W CB -0.388 28.833 29.460 -0.398 0.000 1.150 258 W HN 0.004 nan 8.180 nan 0.000 0.496 259 F N 0.141 120.180 119.950 0.148 0.000 2.134 259 F HA -0.138 4.389 4.527 0.000 0.000 0.299 259 F C 2.719 178.403 175.800 -0.192 0.000 1.097 259 F CA 2.065 60.039 58.000 -0.043 0.000 1.264 259 F CB -1.260 37.811 39.000 0.119 0.000 1.001 259 F HN -0.173 nan 8.300 nan 0.000 0.479 260 R N 0.741 121.285 120.500 0.074 0.000 2.091 260 R HA -0.175 4.165 4.340 0.000 0.000 0.238 260 R C 1.532 177.751 176.300 -0.136 0.000 1.136 260 R CA 2.117 58.200 56.100 -0.029 0.000 0.959 260 R CB -0.457 29.860 30.300 0.028 0.000 0.856 260 R HN 0.204 nan 8.270 nan 0.000 0.437 261 D N 0.024 120.305 120.400 -0.198 0.000 2.224 261 D HA -0.068 4.572 4.640 0.000 0.000 0.205 261 D C 0.521 176.619 176.300 -0.337 0.000 0.965 261 D CA 0.819 54.675 54.000 -0.240 0.000 0.852 261 D CB -0.166 40.491 40.800 -0.239 0.000 0.947 261 D HN 0.293 nan 8.370 nan 0.000 0.494 262 N N 0.260 118.653 118.700 -0.511 0.000 2.376 262 N HA 0.159 4.899 4.740 0.000 0.000 0.249 262 N C 0.715 176.016 175.510 -0.348 0.000 1.140 262 N CA 0.129 52.847 53.050 -0.553 0.000 0.870 262 N CB 1.190 39.038 38.487 -1.066 0.000 1.124 262 N HN 0.083 nan 8.380 nan 0.000 0.505 263 G N 1.275 109.919 108.800 -0.260 0.000 2.198 263 G HA2 -0.307 3.653 3.960 0.000 0.000 0.260 263 G HA3 -0.307 3.653 3.960 0.000 0.000 0.260 263 G C 0.128 174.886 174.900 -0.236 0.000 1.025 263 G CA 0.669 45.645 45.100 -0.207 0.000 0.769 263 G HN 0.355 nan 8.290 nan 0.000 0.507 264 K N -0.965 119.281 120.400 -0.257 0.000 2.279 264 K HA 0.714 5.034 4.320 0.000 0.000 0.238 264 K C -0.436 175.935 176.600 -0.383 0.000 1.084 264 K CA -1.053 55.131 56.287 -0.171 0.000 0.885 264 K CB 1.231 33.845 32.500 0.189 0.000 1.319 264 K HN 0.294 nan 8.250 nan 0.000 0.494 265 H N -0.439 118.745 119.070 0.190 0.000 2.589 265 H HA 0.517 5.073 4.556 0.000 0.000 0.351 265 H C -1.130 174.253 175.328 0.091 0.000 1.074 265 H CA -0.786 55.320 56.048 0.096 0.000 1.203 265 H CB 1.978 31.735 29.762 -0.008 0.000 1.558 265 H HN 0.677 nan 8.280 nan 0.000 0.522 266 A N 2.883 125.795 122.820 0.153 0.000 2.356 266 A HA 0.590 4.910 4.320 0.000 0.000 0.323 266 A C -1.186 176.413 177.584 0.026 0.000 1.119 266 A CA -0.704 51.357 52.037 0.039 0.000 0.790 266 A CB 1.759 20.795 19.000 0.060 0.000 1.273 266 A HN 0.474 nan 8.150 nan 0.000 0.452 267 L N 1.691 122.907 121.223 -0.013 0.000 2.356 267 L HA 0.782 5.122 4.340 0.000 0.000 0.277 267 L C -1.082 175.752 176.870 -0.061 0.000 0.996 267 L CA -0.405 54.419 54.840 -0.028 0.000 0.822 267 L CB 1.349 43.396 42.059 -0.020 0.000 1.256 267 L HN 0.666 nan 8.230 nan 0.000 0.413 268 I N 5.402 125.891 120.570 -0.134 0.000 2.418 268 I HA 0.545 4.715 4.170 0.000 0.000 0.287 268 I C -1.294 174.552 176.117 -0.451 0.000 1.008 268 I CA -0.615 60.507 61.300 -0.296 0.000 1.104 268 I CB 1.717 39.487 38.000 -0.384 0.000 1.264 268 I HN 0.392 nan 8.210 nan 0.000 0.438 269 V N 8.312 127.990 119.914 -0.393 0.000 2.311 269 V HA 0.270 4.390 4.120 0.000 0.000 0.275 269 V C -0.930 174.873 176.094 -0.485 0.000 1.022 269 V CA -0.481 61.624 62.300 -0.325 0.000 0.830 269 V CB 0.526 32.328 31.823 -0.035 0.000 1.012 269 V HN 0.481 nan 8.190 nan 0.000 0.452 270 Y N 2.519 122.704 120.300 -0.192 0.000 2.556 270 Y HA 0.393 4.943 4.550 0.000 0.000 0.352 270 Y C 0.551 176.312 175.900 -0.231 0.000 1.006 270 Y CA -0.749 57.210 58.100 -0.235 0.000 1.277 270 Y CB 0.307 38.639 38.460 -0.214 0.000 1.136 270 Y HN 0.519 nan 8.280 nan 0.000 0.523 271 D N 3.673 123.957 120.400 -0.195 0.000 2.434 271 D HA 0.191 4.831 4.640 0.000 0.000 0.275 271 D C -1.254 174.987 176.300 -0.098 0.000 1.172 271 D CA -0.408 53.493 54.000 -0.166 0.000 0.916 271 D CB 0.137 40.767 40.800 -0.285 0.000 1.041 271 D HN 0.705 nan 8.370 nan 0.000 0.501 272 D N -0.232 120.145 120.400 -0.037 0.000 2.570 272 D HA 0.233 4.873 4.640 0.000 0.000 0.244 272 D C 0.929 177.215 176.300 -0.023 0.000 1.178 272 D CA -0.737 53.246 54.000 -0.029 0.000 0.881 272 D CB 1.152 41.942 40.800 -0.017 0.000 1.453 272 D HN 0.004 nan 8.370 nan 0.000 0.447 273 L N 0.220 121.398 121.223 -0.075 0.000 2.291 273 L HA -0.042 4.298 4.340 0.000 0.000 0.214 273 L C 1.896 178.785 176.870 0.032 0.000 1.120 273 L CA 0.606 55.380 54.840 -0.111 0.000 0.799 273 L CB -0.381 41.370 42.059 -0.514 0.000 0.925 273 L HN 0.461 nan 8.230 nan 0.000 0.446 274 S N 0.146 115.856 115.700 0.017 0.000 2.370 274 S HA -0.190 4.280 4.470 0.000 0.000 0.226 274 S C 1.954 176.636 174.600 0.137 0.000 1.033 274 S CA 1.428 59.679 58.200 0.085 0.000 1.011 274 S CB -0.046 63.190 63.200 0.061 0.000 0.852 274 S HN 0.392 nan 8.310 nan 0.000 0.457 275 K N 0.668 121.131 120.400 0.104 0.000 2.243 275 K HA 0.045 4.365 4.320 0.000 0.000 0.201 275 K C 2.397 179.082 176.600 0.142 0.000 1.051 275 K CA 0.387 56.742 56.287 0.113 0.000 0.970 275 K CB -0.057 32.489 32.500 0.077 0.000 0.755 275 K HN 0.339 nan 8.250 nan 0.000 0.465 276 Q N 0.872 120.758 119.800 0.143 0.000 1.990 276 Q HA -0.163 4.177 4.340 0.000 0.000 0.200 276 Q C 2.095 178.241 176.000 0.243 0.000 0.980 276 Q CA 1.640 57.550 55.803 0.178 0.000 0.832 276 Q CB -0.136 28.679 28.738 0.129 0.000 0.897 276 Q HN 0.293 nan 8.270 nan 0.000 0.427 277 A N 0.243 123.218 122.820 0.258 0.000 1.917 277 A HA -0.187 4.133 4.320 0.000 0.000 0.219 277 A C 2.250 180.089 177.584 0.425 0.000 1.182 277 A CA 1.795 54.005 52.037 0.289 0.000 0.633 277 A CB -0.971 18.168 19.000 0.232 0.000 0.819 277 A HN 0.340 nan 8.150 nan 0.000 0.448 278 V N -0.421 119.700 119.914 0.344 0.000 2.407 278 V HA -0.264 3.856 4.120 0.000 0.000 0.248 278 V C 3.026 179.222 176.094 0.169 0.000 1.055 278 V CA 2.011 64.453 62.300 0.237 0.000 1.049 278 V CB -1.077 30.846 31.823 0.168 0.000 0.662 278 V HN 0.657 nan 8.190 nan 0.000 0.455 279 A N -1.195 121.743 122.820 0.196 0.000 1.898 279 A HA -0.252 4.068 4.320 0.000 0.000 0.216 279 A C 2.152 179.856 177.584 0.200 0.000 1.181 279 A CA 1.890 54.037 52.037 0.184 0.000 0.620 279 A CB -0.776 18.354 19.000 0.217 0.000 0.819 279 A HN 0.594 nan 8.150 nan 0.000 0.442 280 Y N 0.413 120.785 120.300 0.121 0.000 2.274 280 Y HA -0.177 4.373 4.550 0.000 0.000 0.290 280 Y C 2.488 178.398 175.900 0.017 0.000 1.145 280 Y CA 1.923 60.044 58.100 0.036 0.000 1.203 280 Y CB -0.294 38.209 38.460 0.072 0.000 0.984 280 Y HN 0.332 nan 8.280 nan 0.000 0.533 281 R N 0.108 120.663 120.500 0.091 0.000 2.115 281 R HA -0.206 4.134 4.340 0.000 0.000 0.230 281 R C 2.378 178.608 176.300 -0.117 0.000 1.111 281 R CA 1.598 57.671 56.100 -0.045 0.000 0.976 281 R CB -0.291 29.954 30.300 -0.092 0.000 0.870 281 R HN 0.524 nan 8.270 nan 0.000 0.445 282 Q N 0.532 120.292 119.800 -0.068 0.000 2.050 282 Q HA -0.170 4.170 4.340 0.000 0.000 0.202 282 Q C 2.140 178.071 176.000 -0.114 0.000 0.980 282 Q CA 1.566 57.327 55.803 -0.070 0.000 0.840 282 Q CB -0.053 28.672 28.738 -0.020 0.000 0.898 282 Q HN 0.418 nan 8.270 nan 0.000 0.424 283 L N 0.034 121.159 121.223 -0.162 0.000 1.994 283 L HA -0.192 4.148 4.340 0.000 0.000 0.208 283 L C 2.607 179.317 176.870 -0.268 0.000 1.071 283 L CA 1.414 56.119 54.840 -0.225 0.000 0.745 283 L CB -0.477 41.392 42.059 -0.317 0.000 0.892 283 L HN 0.218 nan 8.230 nan 0.000 0.431 284 S N 0.014 115.488 115.700 -0.378 0.000 2.382 284 S HA -0.131 4.339 4.470 0.000 0.000 0.228 284 S C 1.956 176.446 174.600 -0.183 0.000 1.027 284 S CA 1.203 59.204 58.200 -0.332 0.000 0.991 284 S CB -0.268 62.693 63.200 -0.400 0.000 0.823 284 S HN 0.272 nan 8.310 nan 0.000 0.469 285 L N 0.826 121.958 121.223 -0.151 0.000 2.109 285 L HA 0.001 4.341 4.340 0.000 0.000 0.207 285 L C 2.125 178.941 176.870 -0.090 0.000 1.086 285 L CA 0.849 55.627 54.840 -0.104 0.000 0.760 285 L CB -0.477 41.525 42.059 -0.094 0.000 0.910 285 L HN 0.273 nan 8.230 nan 0.000 0.437 286 L N -0.589 120.575 121.223 -0.099 0.000 2.141 286 L HA -0.168 4.172 4.340 0.000 0.000 0.209 286 L C 2.063 178.884 176.870 -0.081 0.000 1.094 286 L CA 0.922 55.713 54.840 -0.082 0.000 0.763 286 L CB -0.231 41.779 42.059 -0.081 0.000 0.908 286 L HN 0.279 nan 8.230 nan 0.000 0.437 287 L N -0.577 120.585 121.223 -0.102 0.000 2.599 287 L HA 0.069 4.409 4.340 0.000 0.000 0.230 287 L C 0.852 177.679 176.870 -0.071 0.000 1.141 287 L CA 0.202 54.988 54.840 -0.090 0.000 0.877 287 L CB -0.184 41.806 42.059 -0.116 0.000 1.009 287 L HN 0.226 nan 8.230 nan 0.000 0.447 288 R N -0.829 119.630 120.500 -0.068 0.000 3.953 288 R HA -0.143 4.197 4.340 0.000 0.000 0.340 288 R C -0.240 176.032 176.300 -0.047 0.000 1.195 288 R CA 0.273 56.342 56.100 -0.052 0.000 0.929 288 R CB -1.553 28.724 30.300 -0.038 0.000 1.402 288 R HN 0.268 nan 8.270 nan 0.000 0.540 289 R N 1.289 121.753 120.500 -0.060 0.000 2.522 289 R HA 0.098 4.438 4.340 0.000 0.000 0.284 289 R C -2.129 174.154 176.300 -0.028 0.000 1.032 289 R CA -1.577 54.497 56.100 -0.043 0.000 1.049 289 R CB -0.202 30.062 30.300 -0.060 0.000 0.956 289 R HN -0.051 nan 8.270 nan 0.000 0.422 290 P HA 0.029 nan 4.420 nan 0.000 0.261 290 P C -2.147 175.156 177.300 0.006 0.000 1.183 290 P CA -0.608 62.490 63.100 -0.004 0.000 0.761 290 P CB -0.005 31.698 31.700 0.005 0.000 0.785 291 P HA 0.185 nan 4.420 nan 0.000 0.276 291 P C 0.300 177.609 177.300 0.016 0.000 1.230 291 P CA 0.109 63.212 63.100 0.005 0.000 0.776 291 P CB 1.333 33.021 31.700 -0.021 0.000 0.888 292 G N 2.808 111.634 108.800 0.043 0.000 3.410 292 G HA2 0.255 4.215 3.960 0.000 0.000 0.189 292 G HA3 0.255 4.215 3.960 0.000 0.000 0.189 292 G C -0.363 174.525 174.900 -0.020 0.000 1.404 292 G CA -0.699 44.407 45.100 0.011 0.000 0.898 292 G HN 0.387 nan 8.290 nan 0.000 0.650 293 R N 1.217 121.644 120.500 -0.121 0.000 2.458 293 R HA 0.187 4.527 4.340 0.000 0.000 0.303 293 R C -0.056 176.297 176.300 0.087 0.000 1.013 293 R CA 0.585 56.573 56.100 -0.186 0.000 1.026 293 R CB -0.134 29.730 30.300 -0.726 0.000 0.948 293 R HN 0.659 nan 8.270 nan 0.000 0.417 294 E N 2.507 122.755 120.200 0.080 0.000 2.539 294 E HA -0.344 4.006 4.350 0.000 0.000 0.253 294 E C 0.315 176.914 176.600 -0.002 0.000 1.145 294 E CA 0.423 56.893 56.400 0.117 0.000 0.738 294 E CB -1.105 28.768 29.700 0.287 0.000 1.308 294 E HN 0.892 nan 8.360 nan 0.000 0.409 295 A N -2.416 120.397 122.820 -0.011 0.000 3.153 295 A HA -0.311 4.009 4.320 0.000 0.000 0.265 295 A C 0.128 177.659 177.584 -0.088 0.000 1.212 295 A CA 1.689 53.681 52.037 -0.075 0.000 1.018 295 A CB -2.087 16.834 19.000 -0.132 0.000 1.130 295 A HN 0.449 nan 8.150 nan 0.000 0.873 296 Y N 0.666 121.035 120.300 0.115 0.000 2.379 296 Y HA 0.443 4.993 4.550 0.000 0.000 0.337 296 Y C -1.143 174.848 175.900 0.151 0.000 1.238 296 Y CA -1.098 57.106 58.100 0.174 0.000 1.405 296 Y CB 0.268 38.925 38.460 0.328 0.000 1.310 296 Y HN 0.255 nan 8.280 nan 0.000 0.569 297 P HA 0.038 nan 4.420 nan 0.000 0.274 297 P C 0.525 177.994 177.300 0.281 0.000 1.246 297 P CA -0.058 63.172 63.100 0.215 0.000 0.795 297 P CB 0.866 32.662 31.700 0.160 0.000 1.006 298 G N 1.159 110.084 108.800 0.208 0.000 2.470 298 G HA2 -0.211 3.749 3.960 0.000 0.000 0.220 298 G HA3 -0.211 3.749 3.960 0.000 0.000 0.220 298 G C 0.654 175.710 174.900 0.259 0.000 1.121 298 G CA 0.651 45.879 45.100 0.213 0.000 0.766 298 G HN 0.638 nan 8.290 nan 0.000 0.553 299 D N -0.100 120.473 120.400 0.288 0.000 2.424 299 D HA 0.103 4.743 4.640 0.000 0.000 0.220 299 D C 1.733 178.206 176.300 0.289 0.000 1.150 299 D CA -0.375 53.818 54.000 0.321 0.000 0.831 299 D CB 0.068 41.072 40.800 0.340 0.000 0.981 299 D HN 0.097 nan 8.370 nan 0.000 0.500 300 V N -0.121 119.951 119.914 0.264 0.000 2.515 300 V HA -0.112 4.008 4.120 0.000 0.000 0.250 300 V C 1.798 177.852 176.094 -0.066 0.000 1.058 300 V CA 1.170 63.520 62.300 0.083 0.000 1.064 300 V CB -0.722 31.168 31.823 0.112 0.000 0.675 300 V HN 0.216 nan 8.190 nan 0.000 0.461 301 F N 0.262 120.172 119.950 -0.067 0.000 2.102 301 F HA -0.232 4.295 4.527 0.000 0.000 0.298 301 F C 2.178 178.002 175.800 0.039 0.000 1.105 301 F CA 2.443 60.417 58.000 -0.043 0.000 1.239 301 F CB -0.790 38.213 39.000 0.005 0.000 0.991 301 F HN 0.354 nan 8.300 nan 0.000 0.474 302 Y N 0.808 121.040 120.300 -0.113 0.000 2.165 302 Y HA -0.232 4.318 4.550 0.000 0.000 0.286 302 Y C 2.241 178.010 175.900 -0.219 0.000 1.155 302 Y CA 1.750 59.737 58.100 -0.188 0.000 1.164 302 Y CB -1.066 37.401 38.460 0.012 0.000 0.978 302 Y HN 0.254 nan 8.280 nan 0.000 0.513 303 L N -0.009 121.004 121.223 -0.350 0.000 1.997 303 L HA -0.329 4.011 4.340 0.000 0.000 0.216 303 L C 2.208 178.874 176.870 -0.340 0.000 1.074 303 L CA 2.659 57.232 54.840 -0.444 0.000 0.763 303 L CB -0.953 40.732 42.059 -0.624 0.000 0.890 303 L HN 0.408 nan 8.230 nan 0.000 0.434 304 H N -1.788 117.091 119.070 -0.320 0.000 2.448 304 H HA -0.022 4.534 4.556 0.000 0.000 0.292 304 H C 2.371 177.468 175.328 -0.385 0.000 1.035 304 H CA 0.877 56.709 56.048 -0.360 0.000 1.349 304 H CB 0.042 29.616 29.762 -0.315 0.000 1.425 304 H HN 0.569 nan 8.280 nan 0.000 0.539 305 S N 1.520 116.984 115.700 -0.393 0.000 2.355 305 S HA -0.222 4.248 4.470 0.000 0.000 0.222 305 S C 2.117 176.596 174.600 -0.203 0.000 1.031 305 S CA 1.151 59.113 58.200 -0.397 0.000 0.993 305 S CB -0.257 62.503 63.200 -0.733 0.000 0.859 305 S HN 0.541 nan 8.310 nan 0.000 0.453 306 R N 0.884 121.247 120.500 -0.228 0.000 2.115 306 R HA 0.051 4.391 4.340 0.000 0.000 0.230 306 R C 2.329 178.598 176.300 -0.052 0.000 1.111 306 R CA 1.299 57.314 56.100 -0.141 0.000 0.976 306 R CB -0.780 29.313 30.300 -0.345 0.000 0.870 306 R HN 0.452 nan 8.270 nan 0.000 0.445 307 L N 1.261 122.446 121.223 -0.063 0.000 2.005 307 L HA -0.032 4.308 4.340 0.000 0.000 0.207 307 L C 2.126 178.914 176.870 -0.136 0.000 1.072 307 L CA 1.639 56.395 54.840 -0.139 0.000 0.744 307 L CB -0.298 41.439 42.059 -0.536 0.000 0.895 307 L HN 0.232 nan 8.230 nan 0.000 0.433 308 L N -0.566 120.569 121.223 -0.148 0.000 2.291 308 L HA -0.059 4.281 4.340 0.000 0.000 0.214 308 L C 2.429 179.294 176.870 -0.008 0.000 1.120 308 L CA 0.444 55.246 54.840 -0.064 0.000 0.799 308 L CB -0.604 41.406 42.059 -0.082 0.000 0.925 308 L HN 0.317 nan 8.230 nan 0.000 0.446 309 E N 0.524 120.715 120.200 -0.015 0.000 2.265 309 E HA -0.179 4.171 4.350 0.000 0.000 0.196 309 E C 2.113 178.732 176.600 0.031 0.000 0.996 309 E CA 0.789 57.198 56.400 0.014 0.000 0.832 309 E CB 0.035 29.747 29.700 0.019 0.000 0.756 309 E HN 0.506 nan 8.360 nan 0.000 0.491 310 R N 0.462 120.984 120.500 0.037 0.000 2.235 310 R HA 0.061 4.401 4.340 0.000 0.000 0.213 310 R C 0.926 177.262 176.300 0.061 0.000 1.059 310 R CA 0.437 56.569 56.100 0.053 0.000 0.997 310 R CB 0.060 30.400 30.300 0.067 0.000 0.884 310 R HN -0.081 nan 8.270 nan 0.000 0.462 311 A N 1.332 124.190 122.820 0.064 0.000 2.396 311 A HA 0.593 4.913 4.320 0.000 0.000 0.279 311 A C -0.239 177.374 177.584 0.048 0.000 1.165 311 A CA 0.010 52.084 52.037 0.061 0.000 0.824 311 A CB 0.281 19.321 19.000 0.067 0.000 1.100 311 A HN 0.296 nan 8.150 nan 0.000 0.516 312 A N 2.573 125.420 122.820 0.046 0.000 2.612 312 A HA 0.714 5.034 4.320 0.000 0.000 0.293 312 A C -0.787 176.823 177.584 0.044 0.000 1.075 312 A CA -0.790 51.272 52.037 0.041 0.000 0.680 312 A CB 1.098 20.120 19.000 0.037 0.000 1.279 312 A HN 0.811 nan 8.150 nan 0.000 0.411 313 K N 1.601 122.028 120.400 0.045 0.000 2.316 313 K HA 0.649 4.969 4.320 0.000 0.000 0.267 313 K C -1.041 175.588 176.600 0.049 0.000 1.025 313 K CA -0.225 56.094 56.287 0.055 0.000 0.896 313 K CB 0.100 32.636 32.500 0.060 0.000 1.124 313 K HN 0.586 nan 8.250 nan 0.000 0.451 314 L N 2.910 124.155 121.223 0.038 0.000 2.453 314 L HA 0.265 4.605 4.340 0.000 0.000 0.261 314 L C 0.844 177.734 176.870 0.034 0.000 1.179 314 L CA -0.521 54.332 54.840 0.023 0.000 0.813 314 L CB 1.047 43.104 42.059 -0.003 0.000 1.110 314 L HN 0.872 nan 8.230 nan 0.000 0.466 315 S N 0.167 115.881 115.700 0.023 0.000 2.617 315 S HA 0.047 4.517 4.470 0.000 0.000 0.255 315 S C 0.830 175.442 174.600 0.020 0.000 1.318 315 S CA -0.409 57.805 58.200 0.024 0.000 0.978 315 S CB 0.721 63.929 63.200 0.013 0.000 0.961 315 S HN 0.686 nan 8.310 nan 0.000 0.582 316 E N 0.263 120.474 120.200 0.018 0.000 2.106 316 E HA -0.139 4.212 4.350 0.000 0.000 0.192 316 E C 2.000 178.599 176.600 -0.001 0.000 0.984 316 E CA 0.875 57.282 56.400 0.013 0.000 0.806 316 E CB -0.153 29.553 29.700 0.011 0.000 0.750 316 E HN 0.659 nan 8.360 nan 0.000 0.458 317 K N 0.675 121.074 120.400 -0.003 0.000 2.147 317 K HA -0.141 4.179 4.320 0.000 0.000 0.205 317 K C 1.183 177.772 176.600 -0.017 0.000 1.049 317 K CA 0.960 57.241 56.287 -0.009 0.000 0.936 317 K CB 0.259 32.755 32.500 -0.007 0.000 0.722 317 K HN -0.030 nan 8.250 nan 0.000 0.446 318 E N -0.889 119.300 120.200 -0.018 0.000 2.444 318 E HA 0.064 4.414 4.350 0.000 0.000 0.191 318 E C 0.805 177.375 176.600 -0.049 0.000 1.041 318 E CA 0.568 56.949 56.400 -0.031 0.000 0.883 318 E CB 0.996 30.681 29.700 -0.024 0.000 1.024 318 E HN 0.542 nan 8.360 nan 0.000 0.470 319 G N 0.846 109.621 108.800 -0.042 0.000 2.176 319 G HA2 -0.339 3.621 3.960 0.000 0.000 0.232 319 G HA3 -0.339 3.621 3.960 0.000 0.000 0.232 319 G C 0.689 175.557 174.900 -0.054 0.000 0.986 319 G CA 0.323 45.388 45.100 -0.058 0.000 0.643 319 G HN 0.144 nan 8.290 nan 0.000 0.522 320 S N -1.490 114.193 115.700 -0.027 0.000 2.981 320 S HA -0.177 4.293 4.470 0.000 0.000 0.274 320 S C 1.808 176.384 174.600 -0.041 0.000 1.297 320 S CA 1.643 59.847 58.200 0.007 0.000 1.266 320 S CB -1.479 61.751 63.200 0.050 0.000 1.542 320 S HN 2.271 nan 8.310 nan 0.000 0.674 321 G N 1.286 110.004 108.800 -0.138 0.000 2.664 321 G HA2 0.455 4.415 3.960 0.000 0.000 0.242 321 G HA3 0.455 4.415 3.960 0.000 0.000 0.242 321 G C -0.036 174.802 174.900 -0.103 0.000 1.225 321 G CA 0.526 45.468 45.100 -0.264 0.000 0.849 321 G HN 1.320 nan 8.290 nan 0.000 0.581 322 S N -0.825 114.841 115.700 -0.057 0.000 2.541 322 S HA 0.594 5.064 4.470 0.000 0.000 0.271 322 S C -1.347 173.315 174.600 0.103 0.000 1.133 322 S CA -0.885 57.375 58.200 0.100 0.000 0.876 322 S CB 2.001 65.334 63.200 0.221 0.000 1.105 322 S HN 0.999 nan 8.310 nan 0.000 0.470 323 L N 2.066 123.336 121.223 0.080 0.000 2.343 323 L HA 0.706 5.046 4.340 0.000 0.000 0.278 323 L C -0.737 176.163 176.870 0.049 0.000 0.996 323 L CA 0.205 55.089 54.840 0.074 0.000 0.831 323 L CB 1.808 43.914 42.059 0.079 0.000 1.232 323 L HN 0.922 nan 8.230 nan 0.000 0.413 324 T N 4.392 118.963 114.554 0.029 0.000 2.795 324 T HA 0.807 5.157 4.350 0.000 0.000 0.282 324 T C -0.233 174.458 174.700 -0.016 0.000 0.980 324 T CA -0.317 61.787 62.100 0.006 0.000 1.012 324 T CB 1.393 70.253 68.868 -0.012 0.000 0.936 324 T HN 0.771 nan 8.240 nan 0.000 0.457 325 A N 3.474 126.292 122.820 -0.003 0.000 2.318 325 A HA 0.747 5.067 4.320 0.000 0.000 0.324 325 A C -0.372 177.204 177.584 -0.014 0.000 1.170 325 A CA -0.740 51.287 52.037 -0.017 0.000 0.810 325 A CB 0.470 19.526 19.000 0.093 0.000 1.198 325 A HN 0.885 nan 8.150 nan 0.000 0.484 326 L N 4.763 125.952 121.223 -0.057 0.000 2.506 326 L HA 0.315 4.655 4.340 0.000 0.000 0.247 326 L C -2.293 174.570 176.870 -0.011 0.000 1.141 326 L CA -1.696 53.130 54.840 -0.025 0.000 0.973 326 L CB 1.350 43.395 42.059 -0.024 0.000 1.319 326 L HN 0.500 nan 8.230 nan 0.000 0.455 327 P HA 0.155 nan 4.420 nan 0.000 0.275 327 P C -0.479 176.821 177.300 0.000 0.000 1.228 327 P CA -0.139 63.009 63.100 0.081 0.000 0.786 327 P CB 2.044 33.773 31.700 0.047 0.000 0.927 328 V N 4.153 124.057 119.914 -0.017 0.000 2.483 328 V HA 0.430 4.550 4.120 0.000 0.000 0.295 328 V C 0.413 176.477 176.094 -0.050 0.000 1.035 328 V CA -0.602 61.681 62.300 -0.028 0.000 0.896 328 V CB 1.649 33.461 31.823 -0.019 0.000 0.986 328 V HN 0.432 nan 8.190 nan 0.000 0.447 329 I N 3.045 123.592 120.570 -0.038 0.000 2.582 329 I HA 0.438 4.608 4.170 0.000 0.000 0.292 329 I C -0.168 175.943 176.117 -0.010 0.000 1.066 329 I CA -0.445 60.835 61.300 -0.033 0.000 1.053 329 I CB 2.174 40.152 38.000 -0.037 0.000 1.241 329 I HN 0.766 nan 8.210 nan 0.000 0.421 330 E N 4.506 124.708 120.200 0.004 0.000 2.134 330 E HA 0.401 4.751 4.350 0.000 0.000 0.278 330 E C -0.511 176.112 176.600 0.038 0.000 0.959 330 E CA -0.387 56.018 56.400 0.009 0.000 0.783 330 E CB 1.171 30.878 29.700 0.012 0.000 1.095 330 E HN 0.696 nan 8.360 nan 0.000 0.399 331 T N 1.916 116.497 114.554 0.046 0.000 2.847 331 T HA 0.308 4.658 4.350 0.000 0.000 0.279 331 T C -0.007 174.732 174.700 0.065 0.000 0.984 331 T CA -0.983 61.166 62.100 0.081 0.000 0.988 331 T CB 1.362 70.316 68.868 0.143 0.000 1.040 331 T HN 0.330 nan 8.240 nan 0.000 0.528 332 Q N 0.406 120.252 119.800 0.077 0.000 2.341 332 Q HA 0.472 4.812 4.340 0.000 0.000 0.268 332 Q C 0.887 176.927 176.000 0.066 0.000 1.013 332 Q CA 0.035 55.876 55.803 0.064 0.000 0.798 332 Q CB 1.199 29.978 28.738 0.067 0.000 1.253 332 Q HN 1.294 nan 8.270 nan 0.000 0.457 333 G N 1.828 110.661 108.800 0.056 0.000 2.198 333 G HA2 -0.272 3.688 3.960 0.000 0.000 0.260 333 G HA3 -0.272 3.688 3.960 0.000 0.000 0.260 333 G C 0.759 175.712 174.900 0.089 0.000 1.025 333 G CA 0.691 45.826 45.100 0.058 0.000 0.769 333 G HN 1.274 nan 8.290 nan 0.000 0.507 334 G N -0.808 108.067 108.800 0.125 0.000 2.179 334 G HA2 -0.181 3.779 3.960 0.000 0.000 0.257 334 G HA3 -0.181 3.779 3.960 0.000 0.000 0.257 334 G C 0.112 175.138 174.900 0.210 0.000 1.010 334 G CA 1.051 46.297 45.100 0.243 0.000 0.736 334 G HN 1.572 nan 8.290 nan 0.000 0.513 335 D N 0.160 120.642 120.400 0.136 0.000 2.393 335 D HA 0.428 5.068 4.640 0.000 0.000 0.232 335 D C 1.709 178.064 176.300 0.091 0.000 1.192 335 D CA 0.207 54.259 54.000 0.088 0.000 0.882 335 D CB 0.906 41.749 40.800 0.071 0.000 1.038 335 D HN 0.540 nan 8.370 nan 0.000 0.499 336 V N 1.281 121.222 119.914 0.045 0.000 3.306 336 V HA 0.008 4.128 4.120 0.000 0.000 0.264 336 V C 1.714 177.824 176.094 0.025 0.000 1.149 336 V CA 0.697 63.016 62.300 0.031 0.000 1.143 336 V CB -0.203 31.576 31.823 -0.073 0.000 0.767 336 V HN 0.353 nan 8.190 nan 0.000 0.476 337 S N 0.828 116.543 115.700 0.024 0.000 2.481 337 S HA 0.360 4.830 4.470 0.000 0.000 0.231 337 S C 1.365 176.006 174.600 0.069 0.000 0.996 337 S CA 0.608 58.829 58.200 0.034 0.000 0.942 337 S CB -0.396 62.818 63.200 0.024 0.000 0.768 337 S HN 0.932 nan 8.310 nan 0.000 0.520 338 A N 0.535 123.405 122.820 0.084 0.000 2.429 338 A HA 0.260 4.580 4.320 0.000 0.000 0.242 338 A C 0.907 178.587 177.584 0.159 0.000 1.088 338 A CA -0.190 51.920 52.037 0.122 0.000 0.784 338 A CB -0.202 18.871 19.000 0.121 0.000 1.038 338 A HN 0.336 nan 8.150 nan 0.000 0.501 339 Y N 1.265 121.585 120.300 0.032 0.000 2.030 339 Y HA -0.252 4.298 4.550 0.000 0.000 0.274 339 Y C 1.973 177.861 175.900 -0.021 0.000 1.153 339 Y CA 2.380 60.484 58.100 0.007 0.000 1.115 339 Y CB -0.272 38.197 38.460 0.015 0.000 0.969 339 Y HN 0.512 nan 8.280 nan 0.000 0.488 340 I N 0.444 120.914 120.570 -0.167 0.000 2.179 340 I HA -0.206 3.964 4.170 0.000 0.000 0.242 340 I C -0.345 175.714 176.117 -0.097 0.000 1.088 340 I CA 1.428 62.580 61.300 -0.247 0.000 1.357 340 I CB -2.884 34.989 38.000 -0.213 0.000 1.051 340 I HN 0.175 nan 8.210 nan 0.000 0.409 341 P HA -0.174 nan 4.420 nan 0.000 0.215 341 P C 1.860 179.167 177.300 0.012 0.000 1.163 341 P CA 2.732 65.838 63.100 0.012 0.000 0.894 341 P CB -0.347 31.384 31.700 0.052 0.000 0.791 342 T N -3.808 110.759 114.554 0.021 0.000 2.821 342 T HA -0.115 4.235 4.350 0.000 0.000 0.267 342 T C 1.726 176.447 174.700 0.034 0.000 1.046 342 T CA 1.202 63.321 62.100 0.031 0.000 1.139 342 T CB -1.177 67.722 68.868 0.050 0.000 0.871 342 T HN -0.045 nan 8.240 nan 0.000 0.454 343 N N 1.563 120.262 118.700 -0.001 0.000 2.036 343 N HA -0.087 4.653 4.740 0.000 0.000 0.195 343 N C 1.975 177.581 175.510 0.161 0.000 1.037 343 N CA 1.476 54.588 53.050 0.103 0.000 0.855 343 N CB -0.894 37.594 38.487 0.001 0.000 1.033 343 N HN 0.363 nan 8.380 nan 0.000 0.423 344 V N 1.371 121.308 119.914 0.038 0.000 2.427 344 V HA -0.113 4.007 4.120 0.000 0.000 0.248 344 V C 2.262 178.368 176.094 0.020 0.000 1.051 344 V CA 0.975 63.264 62.300 -0.018 0.000 1.048 344 V CB -0.417 31.324 31.823 -0.135 0.000 0.666 344 V HN 0.225 nan 8.190 nan 0.000 0.456 345 I N 1.477 122.066 120.570 0.032 0.000 2.264 345 I HA -0.233 3.937 4.170 0.000 0.000 0.248 345 I C 2.415 178.568 176.117 0.060 0.000 1.111 345 I CA 1.956 63.280 61.300 0.040 0.000 1.382 345 I CB -0.389 37.631 38.000 0.033 0.000 1.060 345 I HN 0.478 nan 8.210 nan 0.000 0.418 346 S N -0.224 115.533 115.700 0.094 0.000 2.607 346 S HA 0.121 4.591 4.470 0.000 0.000 0.224 346 S C 1.471 176.184 174.600 0.189 0.000 0.969 346 S CA 0.272 58.548 58.200 0.126 0.000 0.927 346 S CB -0.380 62.889 63.200 0.115 0.000 0.772 346 S HN 0.427 nan 8.310 nan 0.000 0.533 347 I N 1.460 122.116 120.570 0.144 0.000 3.132 347 I HA 0.066 4.236 4.170 0.000 0.000 0.255 347 I C 1.544 177.690 176.117 0.048 0.000 1.118 347 I CA 0.557 61.912 61.300 0.091 0.000 1.463 347 I CB -0.548 37.453 38.000 0.003 0.000 1.356 347 I HN 0.308 nan 8.210 nan 0.000 0.463 348 T N -1.089 113.483 114.554 0.029 0.000 2.701 348 T HA 0.039 4.389 4.350 0.000 0.000 0.303 348 T C 0.218 174.938 174.700 0.033 0.000 1.030 348 T CA -0.307 61.807 62.100 0.024 0.000 1.010 348 T CB 0.444 69.321 68.868 0.014 0.000 1.007 348 T HN 0.090 nan 8.240 nan 0.000 0.532 349 D N 0.849 121.267 120.400 0.030 0.000 2.889 349 D HA 0.438 5.078 4.640 0.000 0.000 0.243 349 D C 0.942 177.260 176.300 0.030 0.000 1.270 349 D CA 0.236 54.254 54.000 0.031 0.000 0.838 349 D CB -0.376 40.441 40.800 0.028 0.000 1.040 349 D HN 1.015 nan 8.370 nan 0.000 0.480 350 G N 1.330 110.149 108.800 0.032 0.000 2.371 350 G HA2 0.072 4.032 3.960 0.000 0.000 0.663 350 G HA3 0.072 4.032 3.960 0.000 0.000 0.663 350 G C -1.610 173.315 174.900 0.041 0.000 1.311 350 G CA -0.998 44.124 45.100 0.035 0.000 0.985 350 G HN 0.144 nan 8.290 nan 0.000 0.566 351 Q N -0.780 119.051 119.800 0.053 0.000 2.379 351 Q HA 0.674 5.014 4.340 0.000 0.000 0.278 351 Q C -1.282 174.772 176.000 0.091 0.000 1.068 351 Q CA -0.971 54.875 55.803 0.071 0.000 0.816 351 Q CB 2.148 30.939 28.738 0.089 0.000 1.387 351 Q HN 0.864 nan 8.270 nan 0.000 0.413 352 I N 2.480 123.104 120.570 0.091 0.000 2.330 352 I HA 0.309 4.479 4.170 0.000 0.000 0.286 352 I C -0.812 175.384 176.117 0.132 0.000 1.025 352 I CA -0.712 60.647 61.300 0.098 0.000 1.197 352 I CB 0.593 38.626 38.000 0.055 0.000 1.358 352 I HN 0.499 nan 8.210 nan 0.000 0.467 353 F N 7.929 127.893 119.950 0.023 0.000 2.411 353 F HA 0.489 5.016 4.527 0.000 0.000 0.355 353 F C -0.627 175.191 175.800 0.029 0.000 1.117 353 F CA -0.458 57.555 58.000 0.022 0.000 1.139 353 F CB 0.641 39.655 39.000 0.023 0.000 1.120 353 F HN 0.227 nan 8.300 nan 0.000 0.493 354 L N 6.277 127.141 121.223 -0.598 0.000 2.265 354 L HA 0.364 4.704 4.340 0.000 0.000 0.289 354 L C -0.147 176.331 176.870 -0.653 0.000 1.033 354 L CA -0.447 54.132 54.840 -0.435 0.000 0.814 354 L CB 1.308 43.205 42.059 -0.270 0.000 1.203 354 L HN 0.589 nan 8.230 nan 0.000 0.423 355 E N 1.661 121.684 120.200 -0.296 0.000 2.174 355 E HA 0.320 4.670 4.350 0.000 0.000 0.282 355 E C 0.531 177.134 176.600 0.006 0.000 0.992 355 E CA -0.187 56.139 56.400 -0.122 0.000 0.803 355 E CB 1.901 31.682 29.700 0.134 0.000 1.090 355 E HN 0.743 nan 8.360 nan 0.000 0.396 356 A N 4.292 127.116 122.820 0.008 0.000 1.908 356 A HA -0.236 4.084 4.320 0.000 0.000 0.218 356 A C 1.891 179.587 177.584 0.187 0.000 1.181 356 A CA 1.832 53.923 52.037 0.089 0.000 0.627 356 A CB -0.350 18.676 19.000 0.043 0.000 0.818 356 A HN 0.875 nan 8.150 nan 0.000 0.445 357 E N -0.237 120.046 120.200 0.139 0.000 2.085 357 E HA -0.183 4.167 4.350 0.000 0.000 0.194 357 E C 1.918 178.631 176.600 0.189 0.000 0.994 357 E CA 1.249 57.736 56.400 0.146 0.000 0.801 357 E CB -0.196 29.564 29.700 0.100 0.000 0.743 357 E HN 0.669 nan 8.360 nan 0.000 0.453 358 L N -0.277 121.049 121.223 0.172 0.000 2.072 358 L HA -0.115 4.225 4.340 0.000 0.000 0.205 358 L C 2.414 179.385 176.870 0.169 0.000 1.079 358 L CA 0.736 55.669 54.840 0.155 0.000 0.752 358 L CB -0.454 41.688 42.059 0.139 0.000 0.906 358 L HN 0.195 nan 8.230 nan 0.000 0.436 359 F N -0.094 119.892 119.950 0.061 0.000 2.126 359 F HA -0.313 4.214 4.527 0.000 0.000 0.299 359 F C 2.571 178.418 175.800 0.078 0.000 1.096 359 F CA 1.544 59.573 58.000 0.049 0.000 1.255 359 F CB -0.358 38.660 39.000 0.030 0.000 0.997 359 F HN -0.011 nan 8.300 nan 0.000 0.479 360 Y N 1.157 121.520 120.300 0.105 0.000 2.181 360 Y HA -0.194 4.356 4.550 0.000 0.000 0.288 360 Y C 2.284 178.152 175.900 -0.053 0.000 1.146 360 Y CA 2.001 60.115 58.100 0.024 0.000 1.164 360 Y CB -0.462 38.043 38.460 0.076 0.000 0.982 360 Y HN -0.044 nan 8.280 nan 0.000 0.515 361 K N -0.685 119.750 120.400 0.059 0.000 2.280 361 K HA -0.013 4.307 4.320 0.000 0.000 0.202 361 K C 1.343 177.863 176.600 -0.132 0.000 1.047 361 K CA 1.009 57.279 56.287 -0.029 0.000 0.942 361 K CB -0.358 32.180 32.500 0.062 0.000 0.739 361 K HN 0.595 nan 8.250 nan 0.000 0.457 362 G N 1.132 109.818 108.800 -0.190 0.000 2.163 362 G HA2 -0.210 3.750 3.960 0.000 0.000 0.213 362 G HA3 -0.210 3.750 3.960 0.000 0.000 0.213 362 G C 0.087 174.902 174.900 -0.141 0.000 0.991 362 G CA -0.451 44.511 45.100 -0.229 0.000 0.653 362 G HN 0.189 nan 8.290 nan 0.000 0.518 363 I N 1.904 122.432 120.570 -0.070 0.000 2.389 363 I HA 0.321 4.491 4.170 0.000 0.000 0.295 363 I C 0.713 176.831 176.117 0.000 0.000 1.117 363 I CA 0.223 61.519 61.300 -0.008 0.000 1.317 363 I CB 0.138 38.166 38.000 0.047 0.000 1.431 363 I HN 0.065 nan 8.210 nan 0.000 0.521 364 R N 6.619 127.111 120.500 -0.014 0.000 2.538 364 R HA 0.443 4.783 4.340 0.000 0.000 0.292 364 R C -2.733 173.585 176.300 0.029 0.000 1.008 364 R CA -1.915 54.198 56.100 0.022 0.000 0.896 364 R CB 1.776 32.047 30.300 -0.048 0.000 1.187 364 R HN 0.184 nan 8.270 nan 0.000 0.440 365 P HA 0.027 nan 4.420 nan 0.000 0.269 365 P C -0.384 176.975 177.300 0.098 0.000 1.209 365 P CA -0.150 62.998 63.100 0.082 0.000 0.776 365 P CB 0.802 32.535 31.700 0.054 0.000 0.876 366 A N 3.873 126.777 122.820 0.141 0.000 3.117 366 A HA 0.188 4.508 4.320 0.000 0.000 0.255 366 A C 0.411 178.044 177.584 0.082 0.000 1.583 366 A CA -0.285 51.833 52.037 0.136 0.000 1.234 366 A CB -1.483 17.652 19.000 0.225 0.000 1.076 366 A HN 0.490 nan 8.150 nan 0.000 0.653 367 I N 1.411 122.031 120.570 0.084 0.000 2.505 367 I HA -0.020 4.151 4.170 0.000 0.000 0.287 367 I C 0.657 176.854 176.117 0.132 0.000 1.104 367 I CA -0.185 61.170 61.300 0.092 0.000 1.387 367 I CB 0.401 38.453 38.000 0.086 0.000 1.404 367 I HN 0.369 nan 8.210 nan 0.000 0.528 368 N N 6.708 125.522 118.700 0.191 0.000 2.402 368 N HA 0.037 4.777 4.740 0.000 0.000 0.259 368 N C 0.903 176.518 175.510 0.176 0.000 1.167 368 N CA 0.021 53.208 53.050 0.229 0.000 0.949 368 N CB 1.191 39.922 38.487 0.406 0.000 1.212 368 N HN 0.422 nan 8.380 nan 0.000 0.493 369 V N 3.762 123.757 119.914 0.135 0.000 2.287 369 V HA -0.190 3.930 4.120 0.000 0.000 0.248 369 V C 2.337 178.485 176.094 0.089 0.000 1.053 369 V CA 2.283 64.650 62.300 0.111 0.000 1.027 369 V CB -0.883 31.007 31.823 0.113 0.000 0.646 369 V HN 0.740 nan 8.190 nan 0.000 0.447 370 G N -0.933 107.912 108.800 0.075 0.000 2.509 370 G HA2 -0.098 3.862 3.960 0.000 0.000 0.218 370 G HA3 -0.098 3.862 3.960 0.000 0.000 0.218 370 G C 1.433 176.347 174.900 0.023 0.000 1.124 370 G CA 0.467 45.593 45.100 0.043 0.000 0.776 370 G HN 0.505 nan 8.290 nan 0.000 0.547 371 L N 0.419 121.661 121.223 0.032 0.000 2.590 371 L HA 0.247 4.587 4.340 0.000 0.000 0.227 371 L C 0.555 177.451 176.870 0.044 0.000 1.099 371 L CA -0.097 54.729 54.840 -0.023 0.000 0.872 371 L CB 0.520 42.479 42.059 -0.166 0.000 1.088 371 L HN -0.019 nan 8.230 nan 0.000 0.479 372 S N -0.069 115.689 115.700 0.096 0.000 2.525 372 S HA 0.562 5.032 4.470 0.000 0.000 0.278 372 S C -0.501 174.140 174.600 0.068 0.000 1.234 372 S CA -0.353 57.909 58.200 0.104 0.000 1.058 372 S CB 2.586 65.858 63.200 0.120 0.000 0.983 372 S HN -0.039 nan 8.310 nan 0.000 0.495 373 V N 2.023 121.973 119.914 0.059 0.000 3.048 373 V HA 0.686 4.806 4.120 0.000 0.000 0.303 373 V C -1.104 175.015 176.094 0.042 0.000 1.214 373 V CA -0.517 61.810 62.300 0.046 0.000 0.984 373 V CB 2.533 34.377 31.823 0.035 0.000 1.054 373 V HN 0.818 nan 8.190 nan 0.000 0.430 374 S N 5.360 121.082 115.700 0.037 0.000 2.566 374 S HA 0.501 4.971 4.470 0.000 0.000 0.324 374 S C 0.798 175.415 174.600 0.028 0.000 1.081 374 S CA -0.589 57.630 58.200 0.031 0.000 1.105 374 S CB 1.129 64.346 63.200 0.028 0.000 0.981 374 S HN 0.775 nan 8.310 nan 0.000 0.464 375 R N 2.491 123.007 120.500 0.027 0.000 2.115 375 R HA -0.009 4.331 4.340 0.000 0.000 0.230 375 R C 1.434 177.749 176.300 0.025 0.000 1.111 375 R CA 1.718 57.834 56.100 0.026 0.000 0.976 375 R CB -0.129 30.188 30.300 0.028 0.000 0.870 375 R HN 0.671 nan 8.270 nan 0.000 0.445 376 V N -5.329 114.599 119.914 0.024 0.000 3.398 376 V HA 0.381 4.501 4.120 0.000 0.000 0.298 376 V C 1.403 177.510 176.094 0.021 0.000 1.496 376 V CA 0.479 62.793 62.300 0.024 0.000 1.044 376 V CB 0.736 32.575 31.823 0.026 0.000 0.880 376 V HN 0.157 nan 8.190 nan 0.000 0.443 377 G N 0.849 109.660 108.800 0.017 0.000 2.484 377 G HA2 -0.102 3.858 3.960 0.000 0.000 0.218 377 G HA3 -0.102 3.858 3.960 0.000 0.000 0.218 377 G C 1.446 176.354 174.900 0.013 0.000 1.130 377 G CA 1.146 46.253 45.100 0.011 0.000 0.784 377 G HN 0.493 nan 8.290 nan 0.000 0.543 378 S N 1.071 116.783 115.700 0.019 0.000 2.370 378 S HA -0.077 4.393 4.470 0.000 0.000 0.226 378 S C 2.761 177.374 174.600 0.021 0.000 1.033 378 S CA 1.146 59.358 58.200 0.020 0.000 1.011 378 S CB -0.319 62.894 63.200 0.023 0.000 0.852 378 S HN 0.561 nan 8.310 nan 0.000 0.457 379 A N 0.692 123.527 122.820 0.025 0.000 2.070 379 A HA 0.182 4.502 4.320 0.000 0.000 0.220 379 A C 1.969 179.577 177.584 0.040 0.000 1.159 379 A CA 1.571 53.628 52.037 0.034 0.000 0.656 379 A CB -0.489 18.536 19.000 0.041 0.000 0.800 379 A HN 0.517 nan 8.150 nan 0.000 0.453 380 A N -1.514 121.318 122.820 0.020 0.000 2.390 380 A HA 0.287 4.608 4.320 0.000 0.000 0.232 380 A C 0.936 178.504 177.584 -0.026 0.000 1.233 380 A CA 0.018 52.051 52.037 -0.007 0.000 0.907 380 A CB -0.154 18.825 19.000 -0.036 0.000 0.967 380 A HN 0.563 nan 8.150 nan 0.000 0.512 381 Q N 0.904 120.699 119.800 -0.008 0.000 2.332 381 Q HA 0.362 4.702 4.340 0.000 0.000 0.263 381 Q C -0.610 175.386 176.000 -0.006 0.000 0.979 381 Q CA -0.282 55.516 55.803 -0.007 0.000 0.885 381 Q CB 0.823 29.566 28.738 0.008 0.000 1.218 381 Q HN 0.211 nan 8.270 nan 0.000 0.405 382 V N 5.546 125.453 119.914 -0.011 0.000 2.557 382 V HA -0.141 3.979 4.120 0.000 0.000 0.301 382 V C 1.324 177.425 176.094 0.011 0.000 1.026 382 V CA 0.657 62.954 62.300 -0.004 0.000 1.137 382 V CB 0.450 32.274 31.823 0.002 0.000 0.917 382 V HN 0.913 nan 8.190 nan 0.000 0.484 383 K N 3.604 124.011 120.400 0.012 0.000 2.147 383 K HA -0.168 4.152 4.320 0.000 0.000 0.205 383 K C 2.175 178.789 176.600 0.024 0.000 1.049 383 K CA 1.433 57.731 56.287 0.018 0.000 0.936 383 K CB -0.173 32.337 32.500 0.016 0.000 0.722 383 K HN 0.848 nan 8.250 nan 0.000 0.446 384 A N 1.470 124.304 122.820 0.023 0.000 1.902 384 A HA -0.149 4.171 4.320 0.000 0.000 0.217 384 A C 2.109 179.718 177.584 0.042 0.000 1.181 384 A CA 1.195 53.249 52.037 0.029 0.000 0.623 384 A CB -0.577 18.436 19.000 0.021 0.000 0.818 384 A HN 0.160 nan 8.150 nan 0.000 0.443 385 L N -0.820 120.427 121.223 0.039 0.000 1.989 385 L HA -0.236 4.104 4.340 0.000 0.000 0.211 385 L C 2.656 179.553 176.870 0.044 0.000 1.071 385 L CA 2.035 56.902 54.840 0.045 0.000 0.749 385 L CB -0.437 41.646 42.059 0.039 0.000 0.890 385 L HN 0.413 nan 8.230 nan 0.000 0.431 386 K N -0.349 120.072 120.400 0.036 0.000 2.089 386 K HA -0.288 4.032 4.320 0.000 0.000 0.210 386 K C 2.132 178.754 176.600 0.038 0.000 1.048 386 K CA 1.967 58.274 56.287 0.033 0.000 0.926 386 K CB -0.014 32.502 32.500 0.027 0.000 0.714 386 K HN 0.403 nan 8.250 nan 0.000 0.448 387 Q N -0.382 119.444 119.800 0.044 0.000 2.049 387 Q HA -0.107 4.233 4.340 0.000 0.000 0.198 387 Q C 2.127 178.167 176.000 0.067 0.000 0.971 387 Q CA 1.602 57.436 55.803 0.051 0.000 0.833 387 Q CB 0.004 28.775 28.738 0.055 0.000 0.896 387 Q HN 0.312 nan 8.270 nan 0.000 0.434 388 V N -1.643 118.324 119.914 0.089 0.000 2.515 388 V HA 0.055 4.175 4.120 0.000 0.000 0.250 388 V C 1.216 177.345 176.094 0.058 0.000 1.058 388 V CA 1.185 63.560 62.300 0.126 0.000 1.064 388 V CB -0.733 31.194 31.823 0.173 0.000 0.675 388 V HN 0.207 nan 8.190 nan 0.000 0.461 389 A N 0.902 123.747 122.820 0.042 0.000 3.079 389 A HA 0.718 5.038 4.320 0.000 0.000 0.315 389 A C 1.436 179.028 177.584 0.014 0.000 1.334 389 A CA 0.266 52.313 52.037 0.016 0.000 1.048 389 A CB -0.329 18.688 19.000 0.028 0.000 1.156 389 A HN 0.496 nan 8.150 nan 0.000 0.523 390 G N 0.984 109.785 108.800 0.001 0.000 2.900 390 G HA2 -0.188 3.772 3.960 0.000 0.000 0.212 390 G HA3 -0.188 3.772 3.960 0.000 0.000 0.212 390 G C 1.237 176.147 174.900 0.017 0.000 1.359 390 G CA 1.462 46.565 45.100 0.006 0.000 0.800 390 G HN 0.616 nan 8.290 nan 0.000 0.680 391 S N 0.522 116.230 115.700 0.013 0.000 2.614 391 S HA 0.190 4.660 4.470 0.000 0.000 0.230 391 S C 1.690 176.345 174.600 0.091 0.000 0.952 391 S CA -0.386 57.846 58.200 0.054 0.000 0.949 391 S CB 0.466 63.708 63.200 0.069 0.000 0.786 391 S HN 0.293 nan 8.310 nan 0.000 0.478 392 L N 2.851 124.106 121.223 0.053 0.000 2.034 392 L HA -0.200 4.141 4.340 0.000 0.000 0.217 392 L C 2.222 179.183 176.870 0.151 0.000 1.077 392 L CA 1.979 56.866 54.840 0.079 0.000 0.769 392 L CB -0.501 41.581 42.059 0.039 0.000 0.890 392 L HN 0.238 nan 8.230 nan 0.000 0.435 393 K N -0.814 119.652 120.400 0.111 0.000 2.002 393 K HA -0.176 4.144 4.320 0.000 0.000 0.209 393 K C 2.088 178.759 176.600 0.119 0.000 1.048 393 K CA 1.946 58.297 56.287 0.106 0.000 0.930 393 K CB -0.430 32.116 32.500 0.077 0.000 0.714 393 K HN 0.367 nan 8.250 nan 0.000 0.438 394 L N 0.030 121.322 121.223 0.115 0.000 2.042 394 L HA -0.163 4.177 4.340 0.000 0.000 0.210 394 L C 2.371 179.320 176.870 0.131 0.000 1.076 394 L CA 1.411 56.313 54.840 0.103 0.000 0.749 394 L CB -0.484 41.630 42.059 0.092 0.000 0.893 394 L HN 0.238 nan 8.230 nan 0.000 0.432 395 F N 0.329 120.302 119.950 0.038 0.000 2.075 395 F HA -0.224 4.303 4.527 0.000 0.000 0.297 395 F C 2.220 178.075 175.800 0.091 0.000 1.113 395 F CA 1.550 59.578 58.000 0.047 0.000 1.218 395 F CB -0.154 38.858 39.000 0.020 0.000 0.984 395 F HN -0.149 nan 8.300 nan 0.000 0.472 396 L N 0.071 121.446 121.223 0.254 0.000 2.012 396 L HA -0.227 4.113 4.340 0.000 0.000 0.210 396 L C 2.737 179.682 176.870 0.126 0.000 1.073 396 L CA 1.306 56.268 54.840 0.204 0.000 0.748 396 L CB -1.150 41.036 42.059 0.211 0.000 0.891 396 L HN 0.252 nan 8.230 nan 0.000 0.431 397 A N -1.085 121.785 122.820 0.082 0.000 2.125 397 A HA -0.199 4.121 4.320 0.000 0.000 0.219 397 A C 2.186 179.763 177.584 -0.011 0.000 1.156 397 A CA 1.333 53.397 52.037 0.044 0.000 0.671 397 A CB -0.275 18.751 19.000 0.044 0.000 0.794 397 A HN 0.526 nan 8.150 nan 0.000 0.459 398 Q N -2.375 117.389 119.800 -0.060 0.000 2.259 398 Q HA -0.044 4.296 4.340 0.000 0.000 0.201 398 Q C 1.901 177.799 176.000 -0.170 0.000 0.938 398 Q CA 0.986 56.715 55.803 -0.122 0.000 0.872 398 Q CB -0.236 28.412 28.738 -0.150 0.000 0.971 398 Q HN 0.848 nan 8.270 nan 0.000 0.494 399 Y N 1.769 121.849 120.300 -0.367 0.000 2.151 399 Y HA -0.248 4.302 4.550 0.000 0.000 0.284 399 Y C 2.151 177.976 175.900 -0.126 0.000 1.166 399 Y CA 1.666 59.571 58.100 -0.324 0.000 1.163 399 Y CB -0.118 38.132 38.460 -0.351 0.000 0.974 399 Y HN -0.126 nan 8.280 nan 0.000 0.511 400 R N 0.343 120.636 120.500 -0.344 0.000 2.152 400 R HA -0.146 4.194 4.340 0.000 0.000 0.232 400 R C 1.992 178.162 176.300 -0.217 0.000 1.117 400 R CA 1.660 57.545 56.100 -0.358 0.000 0.981 400 R CB -0.117 30.118 30.300 -0.108 0.000 0.870 400 R HN 0.577 nan 8.270 nan 0.000 0.451 401 E N -0.645 119.476 120.200 -0.133 0.000 2.230 401 E HA -0.078 4.272 4.350 0.000 0.000 0.192 401 E C 1.771 178.381 176.600 0.016 0.000 0.987 401 E CA 0.871 57.260 56.400 -0.017 0.000 0.841 401 E CB 0.393 30.081 29.700 -0.021 0.000 0.783 401 E HN 0.174 nan 8.360 nan 0.000 0.481 402 V N 1.021 120.874 119.914 -0.103 0.000 2.719 402 V HA -0.101 4.019 4.120 0.000 0.000 0.252 402 V C 2.303 178.360 176.094 -0.061 0.000 1.065 402 V CA 1.411 63.671 62.300 -0.066 0.000 1.086 402 V CB -0.528 31.246 31.823 -0.081 0.000 0.700 402 V HN 0.207 nan 8.190 nan 0.000 0.467 403 A N 0.710 123.390 122.820 -0.232 0.000 1.873 403 A HA -0.033 4.287 4.320 0.000 0.000 0.215 403 A C 2.443 179.968 177.584 -0.099 0.000 1.186 403 A CA 1.930 53.825 52.037 -0.238 0.000 0.616 403 A CB -0.805 17.888 19.000 -0.513 0.000 0.823 403 A HN 0.552 nan 8.150 nan 0.000 0.442 404 A N -1.428 121.350 122.820 -0.071 0.000 1.933 404 A HA -0.010 4.310 4.320 0.000 0.000 0.218 404 A C 1.791 179.315 177.584 -0.100 0.000 1.175 404 A CA 1.406 53.400 52.037 -0.071 0.000 0.628 404 A CB -0.687 18.273 19.000 -0.067 0.000 0.814 404 A HN 0.466 nan 8.150 nan 0.000 0.444 405 F N -0.460 119.444 119.950 -0.076 0.000 2.780 405 F HA 0.204 4.731 4.527 0.000 0.000 0.299 405 F C 2.383 178.157 175.800 -0.044 0.000 1.146 405 F CA 0.370 58.339 58.000 -0.053 0.000 1.428 405 F CB -0.025 38.945 39.000 -0.051 0.000 1.115 405 F HN 0.266 nan 8.300 nan 0.000 0.583 406 A N -0.735 122.134 122.820 0.082 0.000 1.930 406 A HA -0.032 4.288 4.320 0.000 0.000 0.215 406 A C 1.461 179.053 177.584 0.013 0.000 1.176 406 A CA 0.468 52.532 52.037 0.044 0.000 0.632 406 A CB -0.353 18.662 19.000 0.026 0.000 0.819 406 A HN 0.290 nan 8.150 nan 0.000 0.445 412 L N 2.225 123.458 121.223 0.017 0.000 2.391 412 L HA 0.122 4.462 4.340 0.000 0.000 0.249 412 L C 0.395 177.274 176.870 0.015 0.000 1.308 412 L CA -0.169 54.681 54.840 0.017 0.000 1.209 412 L CB -0.540 41.527 42.059 0.014 0.000 1.401 412 L HN 0.233 nan 8.230 nan 0.000 0.416 413 D N 0.879 121.289 120.400 0.017 0.000 2.351 413 D HA 0.229 4.869 4.640 0.000 0.000 0.251 413 D C 1.061 177.369 176.300 0.014 0.000 1.137 413 D CA 0.187 54.194 54.000 0.013 0.000 0.879 413 D CB 1.784 42.590 40.800 0.010 0.000 1.181 413 D HN 0.338 nan 8.370 nan 0.000 0.448 414 A N 3.178 126.004 122.820 0.010 0.000 1.883 414 A HA -0.176 4.144 4.320 0.000 0.000 0.217 414 A C 2.162 179.754 177.584 0.014 0.000 1.186 414 A CA 1.948 53.991 52.037 0.010 0.000 0.624 414 A CB -0.870 18.134 19.000 0.006 0.000 0.822 414 A HN 0.575 nan 8.150 nan 0.000 0.444 415 S N -0.682 115.026 115.700 0.013 0.000 2.383 415 S HA -0.130 4.340 4.470 0.000 0.000 0.227 415 S C 2.066 176.684 174.600 0.030 0.000 1.026 415 S CA 2.183 60.394 58.200 0.018 0.000 0.981 415 S CB -0.630 62.578 63.200 0.013 0.000 0.818 415 S HN 0.796 nan 8.310 nan 0.000 0.472 416 T N -1.071 113.499 114.554 0.026 0.000 3.043 416 T HA 0.171 4.521 4.350 0.000 0.000 0.263 416 T C 1.718 176.450 174.700 0.053 0.000 1.094 416 T CA 0.716 62.837 62.100 0.035 0.000 1.127 416 T CB -0.209 68.670 68.868 0.018 0.000 0.905 416 T HN 0.345 nan 8.240 nan 0.000 0.490 417 K N 0.992 121.418 120.400 0.044 0.000 2.097 417 K HA -0.090 4.230 4.320 0.000 0.000 0.205 417 K C 2.574 179.206 176.600 0.054 0.000 1.050 417 K CA 1.102 57.417 56.287 0.047 0.000 0.938 417 K CB -0.144 32.374 32.500 0.031 0.000 0.718 417 K HN 0.440 nan 8.250 nan 0.000 0.442 418 Q N -0.043 119.785 119.800 0.047 0.000 2.124 418 Q HA -0.140 4.200 4.340 0.000 0.000 0.202 418 Q C 1.740 177.791 176.000 0.086 0.000 0.977 418 Q CA 2.098 57.928 55.803 0.044 0.000 0.850 418 Q CB 0.007 28.762 28.738 0.028 0.000 0.901 418 Q HN 0.468 nan 8.270 nan 0.000 0.429 419 T N -1.539 113.095 114.554 0.133 0.000 3.023 419 T HA -0.075 4.275 4.350 0.000 0.000 0.266 419 T C 1.656 176.494 174.700 0.230 0.000 1.093 419 T CA 0.574 62.821 62.100 0.245 0.000 1.129 419 T CB -0.061 68.933 68.868 0.210 0.000 0.899 419 T HN 0.212 nan 8.240 nan 0.000 0.491 420 L N 1.016 122.350 121.223 0.186 0.000 2.109 420 L HA 0.214 4.554 4.340 0.000 0.000 0.207 420 L C 2.599 179.553 176.870 0.140 0.000 1.086 420 L CA 1.051 56.037 54.840 0.242 0.000 0.760 420 L CB -0.461 41.700 42.059 0.171 0.000 0.910 420 L HN 0.145 nan 8.230 nan 0.000 0.437 421 V N -0.502 119.456 119.914 0.074 0.000 2.358 421 V HA -0.199 3.921 4.120 0.000 0.000 0.246 421 V C 2.768 178.846 176.094 -0.028 0.000 1.047 421 V CA 1.392 63.703 62.300 0.018 0.000 1.035 421 V CB -0.630 31.195 31.823 0.003 0.000 0.658 421 V HN 0.388 nan 8.190 nan 0.000 0.452 422 R N 0.332 120.827 120.500 -0.008 0.000 2.070 422 R HA -0.108 4.232 4.340 0.000 0.000 0.233 422 R C 2.476 178.706 176.300 -0.116 0.000 1.137 422 R CA 1.673 57.743 56.100 -0.050 0.000 0.945 422 R CB -1.266 29.031 30.300 -0.005 0.000 0.845 422 R HN 0.564 nan 8.270 nan 0.000 0.430 423 G N 1.123 109.791 108.800 -0.221 0.000 2.440 423 G HA2 -0.276 3.684 3.960 0.000 0.000 0.218 423 G HA3 -0.276 3.684 3.960 0.000 0.000 0.218 423 G C 1.307 175.740 174.900 -0.778 0.000 1.154 423 G CA 0.717 45.269 45.100 -0.913 0.000 0.767 423 G HN 0.391 nan 8.290 nan 0.000 0.552 424 E N -0.024 119.934 120.200 -0.403 0.000 2.051 424 E HA -0.115 4.235 4.350 0.000 0.000 0.192 424 E C 2.874 179.416 176.600 -0.096 0.000 0.991 424 E CA 0.590 56.923 56.400 -0.112 0.000 0.799 424 E CB -0.043 29.665 29.700 0.013 0.000 0.748 424 E HN 0.155 nan 8.360 nan 0.000 0.449 425 R N 0.576 121.010 120.500 -0.110 0.000 2.081 425 R HA -0.110 4.231 4.340 0.000 0.000 0.235 425 R C 2.471 178.714 176.300 -0.096 0.000 1.131 425 R CA 0.926 56.965 56.100 -0.101 0.000 0.960 425 R CB -0.905 29.322 30.300 -0.122 0.000 0.856 425 R HN 0.264 nan 8.270 nan 0.000 0.436 426 L N 0.240 121.394 121.223 -0.115 0.000 2.093 426 L HA -0.136 4.204 4.340 0.000 0.000 0.208 426 L C 2.364 179.211 176.870 -0.039 0.000 1.085 426 L CA 1.476 56.269 54.840 -0.078 0.000 0.755 426 L CB -0.671 41.344 42.059 -0.074 0.000 0.904 426 L HN 0.185 nan 8.230 nan 0.000 0.435 427 T N -1.347 113.175 114.554 -0.053 0.000 2.708 427 T HA -0.190 4.160 4.350 0.000 0.000 0.266 427 T C 1.927 176.638 174.700 0.018 0.000 1.037 427 T CA 0.960 63.066 62.100 0.010 0.000 1.146 427 T CB -0.131 68.767 68.868 0.049 0.000 0.865 427 T HN 0.254 nan 8.240 nan 0.000 0.435 428 Q N 0.421 120.222 119.800 0.001 0.000 2.135 428 Q HA -0.044 4.296 4.340 0.000 0.000 0.204 428 Q C 2.373 178.383 176.000 0.017 0.000 0.981 428 Q CA 1.018 56.826 55.803 0.008 0.000 0.856 428 Q CB -0.627 28.109 28.738 -0.004 0.000 0.902 428 Q HN 0.380 nan 8.270 nan 0.000 0.425 429 L N 0.112 121.341 121.223 0.009 0.000 2.141 429 L HA -0.085 4.255 4.340 0.000 0.000 0.209 429 L C 1.946 178.842 176.870 0.044 0.000 1.094 429 L CA 1.269 56.126 54.840 0.029 0.000 0.763 429 L CB -0.232 41.833 42.059 0.011 0.000 0.908 429 L HN 0.131 nan 8.230 nan 0.000 0.437 430 L N -0.900 120.346 121.223 0.038 0.000 2.554 430 L HA 0.006 4.346 4.340 0.000 0.000 0.226 430 L C 0.795 177.692 176.870 0.044 0.000 1.137 430 L CA -0.021 54.847 54.840 0.046 0.000 0.863 430 L CB -0.417 41.673 42.059 0.051 0.000 0.985 430 L HN 0.077 nan 8.230 nan 0.000 0.451 431 K N 1.516 121.938 120.400 0.038 0.000 2.401 431 K HA 0.136 4.456 4.320 0.000 0.000 0.278 431 K C -0.116 176.502 176.600 0.031 0.000 1.018 431 K CA 0.401 56.705 56.287 0.028 0.000 0.981 431 K CB 0.615 33.126 32.500 0.018 0.000 0.933 431 K HN 0.032 nan 8.250 nan 0.000 0.477 432 Q N 2.301 122.114 119.800 0.022 0.000 2.340 432 Q HA 0.196 4.536 4.340 0.000 0.000 0.276 432 Q C -1.210 174.793 176.000 0.005 0.000 1.048 432 Q CA -0.885 54.931 55.803 0.022 0.000 0.832 432 Q CB 1.467 30.221 28.738 0.026 0.000 1.373 432 Q HN 0.490 nan 8.270 nan 0.000 0.409 433 N N 2.046 120.752 118.700 0.010 0.000 2.444 433 N HA 0.041 4.781 4.740 0.000 0.000 0.255 433 N C -0.637 174.853 175.510 -0.033 0.000 1.255 433 N CA 0.021 53.071 53.050 -0.001 0.000 0.933 433 N CB 0.719 39.224 38.487 0.030 0.000 1.143 433 N HN 0.562 nan 8.380 nan 0.000 0.453 434 Q N 0.270 120.009 119.800 -0.101 0.000 2.394 434 Q HA 0.008 4.348 4.340 0.000 0.000 0.248 434 Q C -0.416 175.462 176.000 -0.203 0.000 0.992 434 Q CA -0.089 55.521 55.803 -0.322 0.000 0.888 434 Q CB 0.239 28.606 28.738 -0.618 0.000 1.257 434 Q HN 0.574 nan 8.270 nan 0.000 0.462 435 Y N -0.473 119.852 120.300 0.041 0.000 4.409 435 Y HA -0.251 4.299 4.550 0.000 0.000 0.228 435 Y C -0.138 175.825 175.900 0.106 0.000 1.108 435 Y CA 0.827 58.977 58.100 0.083 0.000 1.955 435 Y CB -2.152 36.391 38.460 0.138 0.000 1.615 435 Y HN 0.349 nan 8.280 nan 0.000 0.665 436 S N 0.433 116.216 115.700 0.140 0.000 2.139 436 S HA 0.370 4.840 4.470 0.000 0.000 0.183 436 S C -2.487 172.151 174.600 0.064 0.000 1.473 436 S CA -0.947 57.313 58.200 0.100 0.000 1.263 436 S CB 1.041 64.286 63.200 0.075 0.000 1.170 436 S HN 0.009 nan 8.310 nan 0.000 0.430 437 P HA 0.380 nan 4.420 nan 0.000 0.279 437 P C -0.749 176.568 177.300 0.028 0.000 1.239 437 P CA -0.439 62.691 63.100 0.050 0.000 0.789 437 P CB 0.723 32.460 31.700 0.062 0.000 0.933 438 L N 1.778 123.019 121.223 0.030 0.000 2.325 438 L HA 0.635 4.975 4.340 0.000 0.000 0.278 438 L C 0.775 177.655 176.870 0.017 0.000 1.023 438 L CA -1.118 53.731 54.840 0.016 0.000 0.811 438 L CB 1.460 43.534 42.059 0.026 0.000 1.249 438 L HN 0.377 nan 8.230 nan 0.000 0.431 439 A N 1.682 124.495 122.820 -0.012 0.000 2.425 439 A HA 0.220 4.540 4.320 0.000 0.000 0.242 439 A C 1.217 178.821 177.584 0.034 0.000 1.077 439 A CA -0.067 51.967 52.037 -0.005 0.000 0.781 439 A CB 0.261 19.227 19.000 -0.056 0.000 1.020 439 A HN 0.877 nan 8.150 nan 0.000 0.494 440 T N 0.872 115.471 114.554 0.075 0.000 2.759 440 T HA -0.157 4.193 4.350 0.000 0.000 0.269 440 T C 1.768 176.490 174.700 0.036 0.000 1.042 440 T CA 1.792 63.933 62.100 0.069 0.000 1.140 440 T CB -0.199 68.724 68.868 0.092 0.000 0.864 440 T HN 0.885 nan 8.240 nan 0.000 0.455 441 E N 1.762 121.972 120.200 0.018 0.000 2.204 441 E HA -0.176 4.174 4.350 0.000 0.000 0.194 441 E C 1.575 178.157 176.600 -0.029 0.000 0.989 441 E CA 1.144 57.537 56.400 -0.012 0.000 0.824 441 E CB -0.268 29.415 29.700 -0.029 0.000 0.756 441 E HN 0.576 nan 8.360 nan 0.000 0.477 442 E N 0.544 120.730 120.200 -0.024 0.000 2.230 442 E HA -0.066 4.284 4.350 0.000 0.000 0.192 442 E C 2.193 178.799 176.600 0.010 0.000 0.987 442 E CA 0.557 56.938 56.400 -0.031 0.000 0.841 442 E CB 0.106 29.787 29.700 -0.033 0.000 0.783 442 E HN 0.390 nan 8.360 nan 0.000 0.481 443 Q N 0.275 120.094 119.800 0.031 0.000 2.096 443 Q HA -0.100 4.240 4.340 0.000 0.000 0.197 443 Q C 2.586 178.632 176.000 0.077 0.000 0.964 443 Q CA 1.513 57.351 55.803 0.058 0.000 0.838 443 Q CB -0.060 28.712 28.738 0.057 0.000 0.906 443 Q HN 0.264 nan 8.270 nan 0.000 0.444 444 V N -0.878 119.074 119.914 0.063 0.000 2.392 444 V HA -0.145 3.975 4.120 0.000 0.000 0.249 444 V C -0.917 175.253 176.094 0.125 0.000 1.059 444 V CA 1.318 63.665 62.300 0.080 0.000 1.051 444 V CB -2.127 29.725 31.823 0.048 0.000 0.658 444 V HN 0.195 nan 8.190 nan 0.000 0.455 445 P HA 0.053 nan 4.420 nan 0.000 0.220 445 P C 2.063 179.567 177.300 0.342 0.000 1.152 445 P CA 1.084 64.302 63.100 0.196 0.000 0.812 445 P CB -0.092 31.662 31.700 0.090 0.000 0.792 446 L N -1.107 120.283 121.223 0.280 0.000 2.046 446 L HA -0.153 4.187 4.340 0.000 0.000 0.208 446 L C 2.424 179.413 176.870 0.199 0.000 1.077 446 L CA 1.472 56.485 54.840 0.289 0.000 0.747 446 L CB -0.877 41.315 42.059 0.223 0.000 0.896 446 L HN -0.099 nan 8.230 nan 0.000 0.432 447 I N -1.641 119.026 120.570 0.162 0.000 2.315 447 I HA -0.316 3.854 4.170 0.000 0.000 0.248 447 I C 2.538 178.725 176.117 0.118 0.000 1.117 447 I CA 1.226 62.592 61.300 0.109 0.000 1.404 447 I CB -0.340 37.715 38.000 0.092 0.000 1.071 447 I HN 0.150 nan 8.210 nan 0.000 0.419 448 Y N 1.833 122.171 120.300 0.064 0.000 2.081 448 Y HA -0.365 4.185 4.550 0.000 0.000 0.280 448 Y C 2.592 178.544 175.900 0.087 0.000 1.163 448 Y CA 1.845 59.984 58.100 0.065 0.000 1.135 448 Y CB -0.378 38.123 38.460 0.069 0.000 0.970 448 Y HN 0.130 nan 8.280 nan 0.000 0.498 449 A N -0.082 122.886 122.820 0.246 0.000 1.978 449 A HA -0.123 4.197 4.320 0.000 0.000 0.220 449 A C 2.400 179.992 177.584 0.014 0.000 1.170 449 A CA 1.800 53.925 52.037 0.147 0.000 0.636 449 A CB -1.661 17.387 19.000 0.079 0.000 0.810 449 A HN 0.633 nan 8.150 nan 0.000 0.448 450 G N -0.620 108.161 108.800 -0.032 0.000 2.454 450 G HA2 -0.050 3.910 3.960 0.000 0.000 0.214 450 G HA3 -0.050 3.910 3.960 0.000 0.000 0.214 450 G C 1.486 176.286 174.900 -0.166 0.000 1.217 450 G CA 1.118 46.155 45.100 -0.104 0.000 0.799 450 G HN 0.300 nan 8.290 nan 0.000 0.538 451 V N 1.910 121.720 119.914 -0.174 0.000 2.392 451 V HA -0.187 3.933 4.120 0.000 0.000 0.249 451 V C 2.271 178.190 176.094 -0.290 0.000 1.059 451 V CA 1.792 63.942 62.300 -0.250 0.000 1.051 451 V CB -0.426 31.276 31.823 -0.202 0.000 0.658 451 V HN 0.379 nan 8.190 nan 0.000 0.455 452 N N -0.133 118.381 118.700 -0.310 0.000 2.412 452 N HA 0.087 4.827 4.740 0.000 0.000 0.184 452 N C 1.470 176.761 175.510 -0.365 0.000 1.101 452 N CA 1.043 53.885 53.050 -0.347 0.000 0.881 452 N CB 0.984 39.181 38.487 -0.483 0.000 0.969 452 N HN 0.618 nan 8.380 nan 0.000 0.459 453 G N 0.636 109.255 108.800 -0.303 0.000 2.134 453 G HA2 -0.232 3.728 3.960 0.000 0.000 0.209 453 G HA3 -0.232 3.728 3.960 0.000 0.000 0.209 453 G C 0.311 175.017 174.900 -0.323 0.000 0.993 453 G CA -0.047 44.874 45.100 -0.299 0.000 0.669 453 G HN 0.465 nan 8.290 nan 0.000 0.519 454 H N -0.423 118.545 119.070 -0.170 0.000 2.547 454 H HA 0.344 4.900 4.556 0.000 0.000 0.272 454 H C 2.459 177.648 175.328 -0.232 0.000 0.989 454 H CA 1.128 57.083 56.048 -0.155 0.000 1.214 454 H CB 0.171 29.869 29.762 -0.106 0.000 1.389 454 H HN 0.458 nan 8.280 nan 0.000 0.577 455 L N -0.248 120.862 121.223 -0.188 0.000 2.607 455 L HA 0.049 4.389 4.340 0.000 0.000 0.228 455 L C 0.955 177.706 176.870 -0.198 0.000 1.123 455 L CA 0.039 54.705 54.840 -0.290 0.000 0.890 455 L CB 0.306 42.164 42.059 -0.335 0.000 1.103 455 L HN 0.131 nan 8.230 nan 0.000 0.468 456 D N 0.924 121.229 120.400 -0.158 0.000 2.178 456 D HA -0.113 4.527 4.640 0.000 0.000 0.202 456 D C 2.110 178.352 176.300 -0.095 0.000 0.974 456 D CA 1.304 55.232 54.000 -0.121 0.000 0.841 456 D CB 0.015 40.744 40.800 -0.119 0.000 0.953 456 D HN 0.278 nan 8.370 nan 0.000 0.478 457 G N -0.534 108.209 108.800 -0.095 0.000 2.985 457 G HA2 0.145 4.105 3.960 0.000 0.000 0.209 457 G HA3 0.145 4.105 3.960 0.000 0.000 0.209 457 G C 0.506 175.365 174.900 -0.067 0.000 1.165 457 G CA -0.202 44.855 45.100 -0.071 0.000 0.776 457 G HN 0.170 nan 8.290 nan 0.000 0.541 458 I N 0.981 121.497 120.570 -0.090 0.000 2.385 458 I HA 0.205 4.375 4.170 0.000 0.000 0.294 458 I C 0.061 176.142 176.117 -0.060 0.000 0.988 458 I CA -0.766 60.487 61.300 -0.078 0.000 1.265 458 I CB 1.685 39.610 38.000 -0.124 0.000 1.388 458 I HN 0.042 nan 8.210 nan 0.000 0.480 459 E N 3.424 123.604 120.200 -0.033 0.000 2.467 459 E HA -0.100 4.250 4.350 0.000 0.000 0.264 459 E C 0.646 177.233 176.600 -0.020 0.000 1.020 459 E CA -0.197 56.191 56.400 -0.021 0.000 0.945 459 E CB 0.696 30.392 29.700 -0.008 0.000 0.942 459 E HN 0.419 nan 8.360 nan 0.000 0.449 460 L N 2.845 124.060 121.223 -0.015 0.000 2.093 460 L HA -0.185 4.155 4.340 0.000 0.000 0.208 460 L C 2.177 179.048 176.870 0.001 0.000 1.085 460 L CA 2.053 56.886 54.840 -0.011 0.000 0.755 460 L CB -0.551 41.505 42.059 -0.003 0.000 0.904 460 L HN 0.638 nan 8.230 nan 0.000 0.435 461 S N -1.377 114.327 115.700 0.006 0.000 2.481 461 S HA -0.078 4.392 4.470 0.000 0.000 0.231 461 S C 1.723 176.340 174.600 0.028 0.000 0.996 461 S CA 0.437 58.646 58.200 0.014 0.000 0.942 461 S CB -0.374 62.832 63.200 0.011 0.000 0.768 461 S HN 0.471 nan 8.310 nan 0.000 0.520 462 R N 0.124 120.644 120.500 0.034 0.000 2.468 462 R HA 0.356 4.696 4.340 0.000 0.000 0.280 462 R C 0.751 177.115 176.300 0.106 0.000 0.963 462 R CA -0.233 55.906 56.100 0.066 0.000 1.083 462 R CB 0.016 30.353 30.300 0.062 0.000 1.200 462 R HN 0.369 nan 8.270 nan 0.000 0.541 463 I N 0.297 120.909 120.570 0.070 0.000 2.252 463 I HA -0.098 4.072 4.170 0.000 0.000 0.245 463 I C 2.378 178.592 176.117 0.162 0.000 1.102 463 I CA 1.519 62.868 61.300 0.081 0.000 1.385 463 I CB -1.344 36.662 38.000 0.010 0.000 1.064 463 I HN 0.203 nan 8.210 nan 0.000 0.414 464 G N 0.285 109.153 108.800 0.114 0.000 2.422 464 G HA2 -0.271 3.689 3.960 0.000 0.000 0.218 464 G HA3 -0.271 3.689 3.960 0.000 0.000 0.218 464 G C 1.619 176.601 174.900 0.137 0.000 1.146 464 G CA 0.701 45.869 45.100 0.112 0.000 0.769 464 G HN 0.488 nan 8.290 nan 0.000 0.547 465 E N -0.591 119.693 120.200 0.140 0.000 2.150 465 E HA -0.097 4.253 4.350 0.000 0.000 0.193 465 E C 1.977 178.698 176.600 0.202 0.000 0.985 465 E CA 0.365 56.849 56.400 0.139 0.000 0.814 465 E CB -0.199 29.568 29.700 0.112 0.000 0.752 465 E HN 0.441 nan 8.360 nan 0.000 0.466 466 F N 1.967 121.985 119.950 0.113 0.000 2.113 466 F HA -0.149 4.378 4.527 0.000 0.000 0.297 466 F C 2.225 178.146 175.800 0.202 0.000 1.103 466 F CA 2.050 60.158 58.000 0.180 0.000 1.248 466 F CB -0.284 38.789 39.000 0.120 0.000 0.999 466 F HN 0.024 nan 8.300 nan 0.000 0.475 467 E N 0.342 120.744 120.200 0.338 0.000 2.021 467 E HA -0.278 4.072 4.350 0.000 0.000 0.200 467 E C 2.238 178.868 176.600 0.051 0.000 1.015 467 E CA 2.344 58.876 56.400 0.219 0.000 0.824 467 E CB -0.377 29.452 29.700 0.216 0.000 0.762 467 E HN 0.532 nan 8.360 nan 0.000 0.454 468 S N 0.068 115.803 115.700 0.058 0.000 2.383 468 S HA -0.155 4.315 4.470 0.000 0.000 0.229 468 S C 2.214 176.811 174.600 -0.005 0.000 1.030 468 S CA 1.485 59.698 58.200 0.022 0.000 1.002 468 S CB -0.306 62.918 63.200 0.040 0.000 0.829 468 S HN 0.165 nan 8.310 nan 0.000 0.467 469 S N 0.983 116.691 115.700 0.015 0.000 2.387 469 S HA 0.143 4.613 4.470 0.000 0.000 0.226 469 S C 1.372 175.877 174.600 -0.158 0.000 1.026 469 S CA 0.774 59.015 58.200 0.067 0.000 0.972 469 S CB -0.456 62.905 63.200 0.268 0.000 0.814 469 S HN 0.549 nan 8.310 nan 0.000 0.477 470 F N 2.319 121.843 119.950 -0.711 0.000 2.206 470 F HA 0.166 4.693 4.527 0.000 0.000 0.298 470 F C 1.674 177.161 175.800 -0.521 0.000 1.090 470 F CA 0.663 57.954 58.000 -1.182 0.000 1.323 470 F CB -0.550 37.671 39.000 -1.299 0.000 1.028 470 F HN 0.074 nan 8.300 nan 0.000 0.492 471 L N -0.929 120.076 121.223 -0.363 0.000 2.083 471 L HA -0.212 4.128 4.340 0.000 0.000 0.209 471 L C 2.560 179.284 176.870 -0.243 0.000 1.083 471 L CA 1.336 55.986 54.840 -0.317 0.000 0.752 471 L CB -0.950 41.011 42.059 -0.162 0.000 0.899 471 L HN 0.012 nan 8.230 nan 0.000 0.433 472 S N -1.096 114.510 115.700 -0.157 0.000 2.370 472 S HA -0.250 4.220 4.470 0.000 0.000 0.226 472 S C 1.892 176.444 174.600 -0.081 0.000 1.033 472 S CA 1.406 59.554 58.200 -0.087 0.000 1.011 472 S CB -0.390 62.799 63.200 -0.018 0.000 0.852 472 S HN 0.428 nan 8.310 nan 0.000 0.457 473 Y N 1.954 122.111 120.300 -0.239 0.000 2.181 473 Y HA -0.056 4.494 4.550 0.000 0.000 0.288 473 Y C 1.828 177.610 175.900 -0.196 0.000 1.146 473 Y CA 1.315 59.304 58.100 -0.186 0.000 1.164 473 Y CB -0.362 37.938 38.460 -0.266 0.000 0.982 473 Y HN 0.155 nan 8.280 nan 0.000 0.515 474 L N -0.198 120.803 121.223 -0.371 0.000 2.156 474 L HA -0.167 4.173 4.340 0.000 0.000 0.208 474 L C 2.377 179.080 176.870 -0.277 0.000 1.095 474 L CA 1.324 55.935 54.840 -0.382 0.000 0.770 474 L CB -0.400 41.356 42.059 -0.504 0.000 0.914 474 L HN 0.110 nan 8.230 nan 0.000 0.439 475 K N -0.183 120.075 120.400 -0.237 0.000 2.062 475 K HA -0.111 4.209 4.320 0.000 0.000 0.205 475 K C 2.391 178.889 176.600 -0.170 0.000 1.051 475 K CA 1.645 57.826 56.287 -0.176 0.000 0.941 475 K CB -0.076 32.340 32.500 -0.140 0.000 0.719 475 K HN 0.338 nan 8.250 nan 0.000 0.440 476 S N 0.544 116.134 115.700 -0.183 0.000 2.395 476 S HA -0.039 4.431 4.470 0.000 0.000 0.225 476 S C 1.488 175.945 174.600 -0.238 0.000 1.027 476 S CA 1.127 59.225 58.200 -0.169 0.000 0.965 476 S CB -0.167 62.962 63.200 -0.118 0.000 0.812 476 S HN 0.193 nan 8.310 nan 0.000 0.482 477 N N 0.806 119.279 118.700 -0.377 0.000 2.531 477 N HA 0.160 4.900 4.740 0.000 0.000 0.223 477 N C 0.427 175.639 175.510 -0.497 0.000 1.023 477 N CA 0.727 53.466 53.050 -0.519 0.000 1.124 477 N CB -0.306 37.673 38.487 -0.845 0.000 1.427 477 N HN 0.375 nan 8.380 nan 0.000 0.558 478 H N 0.877 119.738 119.070 -0.347 0.000 2.794 478 H HA 0.158 4.714 4.556 0.000 0.000 0.256 478 H C 0.263 175.470 175.328 -0.201 0.000 1.637 478 H CA -0.006 55.901 56.048 -0.235 0.000 1.222 478 H CB -0.337 29.294 29.762 -0.220 0.000 1.545 478 H HN 0.267 nan 8.280 nan 0.000 0.518 479 N N 1.300 119.926 118.700 -0.123 0.000 2.381 479 N HA -0.130 4.610 4.740 0.000 0.000 0.182 479 N C 1.536 176.999 175.510 -0.078 0.000 1.025 479 N CA 0.778 53.763 53.050 -0.109 0.000 0.888 479 N CB 0.307 38.725 38.487 -0.115 0.000 0.965 479 N HN 0.499 nan 8.380 nan 0.000 0.438 480 E N -0.239 119.923 120.200 -0.063 0.000 2.106 480 E HA -0.107 4.243 4.350 0.000 0.000 0.192 480 E C 1.798 178.373 176.600 -0.042 0.000 0.984 480 E CA 0.833 57.205 56.400 -0.047 0.000 0.806 480 E CB -0.057 29.621 29.700 -0.038 0.000 0.750 480 E HN 0.431 nan 8.360 nan 0.000 0.458 481 L N 0.665 121.865 121.223 -0.039 0.000 2.046 481 L HA -0.176 4.164 4.340 0.000 0.000 0.208 481 L C 2.492 179.323 176.870 -0.065 0.000 1.077 481 L CA 0.916 55.724 54.840 -0.053 0.000 0.747 481 L CB -0.605 41.412 42.059 -0.071 0.000 0.896 481 L HN 0.164 nan 8.230 nan 0.000 0.432 482 L N -0.474 120.703 121.223 -0.077 0.000 2.083 482 L HA -0.170 4.170 4.340 0.000 0.000 0.209 482 L C 2.657 179.492 176.870 -0.058 0.000 1.083 482 L CA 1.381 56.174 54.840 -0.080 0.000 0.752 482 L CB -0.993 41.005 42.059 -0.101 0.000 0.899 482 L HN 0.304 nan 8.230 nan 0.000 0.433 483 T N -0.840 113.683 114.554 -0.053 0.000 2.737 483 T HA -0.162 4.188 4.350 0.000 0.000 0.265 483 T C 1.731 176.414 174.700 -0.028 0.000 1.038 483 T CA 1.230 63.306 62.100 -0.040 0.000 1.144 483 T CB -0.144 68.700 68.868 -0.041 0.000 0.866 483 T HN 0.389 nan 8.240 nan 0.000 0.434 484 E N 0.730 120.912 120.200 -0.030 0.000 2.058 484 E HA -0.094 4.256 4.350 0.000 0.000 0.194 484 E C 2.213 178.803 176.600 -0.016 0.000 0.997 484 E CA 1.071 57.457 56.400 -0.022 0.000 0.801 484 E CB -0.364 29.320 29.700 -0.025 0.000 0.746 484 E HN 0.481 nan 8.360 nan 0.000 0.450 485 I N 0.755 121.311 120.570 -0.022 0.000 2.208 485 I HA -0.297 3.873 4.170 0.000 0.000 0.245 485 I C 2.774 178.893 176.117 0.003 0.000 1.097 485 I CA 1.081 62.373 61.300 -0.013 0.000 1.363 485 I CB -0.320 37.666 38.000 -0.023 0.000 1.051 485 I HN 0.051 nan 8.210 nan 0.000 0.413 486 R N 1.087 121.588 120.500 0.001 0.000 2.080 486 R HA -0.207 4.133 4.340 0.000 0.000 0.236 486 R C 2.131 178.449 176.300 0.031 0.000 1.137 486 R CA 1.948 58.061 56.100 0.022 0.000 0.943 486 R CB -0.121 30.183 30.300 0.006 0.000 0.846 486 R HN 0.429 nan 8.270 nan 0.000 0.431 487 E N -0.623 119.585 120.200 0.014 0.000 2.158 487 E HA -0.098 4.252 4.350 0.000 0.000 0.191 487 E C 1.866 178.473 176.600 0.013 0.000 0.982 487 E CA 0.804 57.213 56.400 0.015 0.000 0.823 487 E CB 0.288 29.991 29.700 0.005 0.000 0.766 487 E HN 0.288 nan 8.360 nan 0.000 0.468 488 K N -1.037 119.367 120.400 0.008 0.000 2.287 488 K HA 0.080 4.400 4.320 0.000 0.000 0.199 488 K C 1.238 177.842 176.600 0.008 0.000 1.061 488 K CA 0.642 56.933 56.287 0.006 0.000 0.976 488 K CB 0.852 33.353 32.500 0.001 0.000 0.898 488 K HN 0.192 nan 8.250 nan 0.000 0.492 489 G N 2.078 110.884 108.800 0.010 0.000 2.184 489 G HA2 -0.273 3.687 3.960 0.000 0.000 0.264 489 G HA3 -0.273 3.687 3.960 0.000 0.000 0.264 489 G C -0.183 174.723 174.900 0.010 0.000 0.975 489 G CA 0.679 45.786 45.100 0.012 0.000 0.642 489 G HN 0.379 nan 8.290 nan 0.000 0.536 490 E N -1.265 118.939 120.200 0.006 0.000 2.359 490 E HA 0.726 5.076 4.350 0.000 0.000 0.266 490 E C -0.618 175.983 176.600 0.002 0.000 0.920 490 E CA -1.020 55.385 56.400 0.007 0.000 0.788 490 E CB 1.752 31.456 29.700 0.007 0.000 1.279 490 E HN 0.127 nan 8.360 nan 0.000 0.438 491 L N 2.082 123.308 121.223 0.005 0.000 2.353 491 L HA 0.279 4.619 4.340 0.000 0.000 0.270 491 L C -0.024 176.847 176.870 0.001 0.000 1.003 491 L CA -0.622 54.216 54.840 -0.003 0.000 0.862 491 L CB 1.391 43.448 42.059 -0.002 0.000 1.221 491 L HN 0.508 nan 8.230 nan 0.000 0.430 492 S N 1.639 117.337 115.700 -0.004 0.000 2.584 492 S HA 0.193 4.663 4.470 0.000 0.000 0.270 492 S C 1.094 175.695 174.600 0.000 0.000 1.346 492 S CA -0.505 57.695 58.200 0.000 0.000 1.018 492 S CB 1.197 64.396 63.200 -0.002 0.000 0.899 492 S HN 0.629 nan 8.310 nan 0.000 0.542 493 K N 0.767 121.171 120.400 0.007 0.000 2.089 493 K HA -0.235 4.085 4.320 0.000 0.000 0.210 493 K C 2.156 178.758 176.600 0.004 0.000 1.048 493 K CA 1.977 58.271 56.287 0.012 0.000 0.926 493 K CB -0.338 32.171 32.500 0.015 0.000 0.714 493 K HN 0.839 nan 8.250 nan 0.000 0.448 494 E N 1.435 121.634 120.200 -0.001 0.000 2.038 494 E HA -0.217 4.133 4.350 0.000 0.000 0.195 494 E C 1.816 178.404 176.600 -0.019 0.000 1.000 494 E CA 1.203 57.600 56.400 -0.005 0.000 0.803 494 E CB -0.274 29.424 29.700 -0.004 0.000 0.750 494 E HN 0.159 nan 8.360 nan 0.000 0.448 495 L N -0.184 121.023 121.223 -0.027 0.000 2.217 495 L HA 0.055 4.395 4.340 0.000 0.000 0.211 495 L C 2.149 178.969 176.870 -0.083 0.000 1.107 495 L CA 1.192 56.003 54.840 -0.049 0.000 0.783 495 L CB -0.567 41.466 42.059 -0.043 0.000 0.919 495 L HN 0.353 nan 8.230 nan 0.000 0.442 496 L N -0.352 120.832 121.223 -0.065 0.000 2.056 496 L HA -0.048 4.292 4.340 0.000 0.000 0.207 496 L C 2.485 179.296 176.870 -0.097 0.000 1.078 496 L CA 1.982 56.768 54.840 -0.090 0.000 0.749 496 L CB -0.905 41.153 42.059 -0.001 0.000 0.901 496 L HN 0.254 nan 8.230 nan 0.000 0.433 497 A N -2.131 120.669 122.820 -0.035 0.000 1.969 497 A HA -0.171 4.149 4.320 0.000 0.000 0.218 497 A C 2.500 180.061 177.584 -0.038 0.000 1.169 497 A CA 1.699 53.730 52.037 -0.010 0.000 0.635 497 A CB -0.842 18.165 19.000 0.012 0.000 0.810 497 A HN 0.453 nan 8.150 nan 0.000 0.445 498 S N -0.988 114.675 115.700 -0.061 0.000 2.428 498 S HA -0.060 4.410 4.470 0.000 0.000 0.230 498 S C 1.775 176.290 174.600 -0.143 0.000 1.014 498 S CA 1.136 59.294 58.200 -0.070 0.000 0.957 498 S CB -0.344 62.825 63.200 -0.050 0.000 0.784 498 S HN 0.451 nan 8.310 nan 0.000 0.499 499 L N 1.854 122.952 121.223 -0.208 0.000 2.156 499 L HA 0.163 4.503 4.340 0.000 0.000 0.208 499 L C 2.072 178.770 176.870 -0.285 0.000 1.095 499 L CA 1.737 56.387 54.840 -0.316 0.000 0.770 499 L CB -0.548 41.203 42.059 -0.515 0.000 0.914 499 L HN 0.154 nan 8.230 nan 0.000 0.439 500 K N -1.438 118.851 120.400 -0.184 0.000 2.097 500 K HA -0.099 4.221 4.320 0.000 0.000 0.205 500 K C 2.086 178.696 176.600 0.017 0.000 1.050 500 K CA 1.311 57.605 56.287 0.012 0.000 0.938 500 K CB 0.041 32.620 32.500 0.131 0.000 0.718 500 K HN 0.312 nan 8.250 nan 0.000 0.442 501 S N 0.360 116.055 115.700 -0.008 0.000 2.345 501 S HA -0.095 4.375 4.470 0.000 0.000 0.220 501 S C 1.991 176.605 174.600 0.023 0.000 1.031 501 S CA 1.111 59.325 58.200 0.024 0.000 0.996 501 S CB -0.229 62.990 63.200 0.032 0.000 0.882 501 S HN 0.503 nan 8.310 nan 0.000 0.445 502 A N 1.223 123.976 122.820 -0.112 0.000 1.940 502 A HA -0.132 4.188 4.320 0.000 0.000 0.219 502 A C 2.278 179.998 177.584 0.227 0.000 1.176 502 A CA 2.143 54.084 52.037 -0.160 0.000 0.631 502 A CB -1.268 17.311 19.000 -0.701 0.000 0.814 502 A HN 0.510 nan 8.150 nan 0.000 0.446 503 T N -0.175 114.467 114.554 0.146 0.000 2.668 503 T HA -0.115 4.235 4.350 0.000 0.000 0.262 503 T C 1.785 176.503 174.700 0.030 0.000 1.045 503 T CA 1.496 63.652 62.100 0.092 0.000 1.152 503 T CB -0.330 68.456 68.868 -0.137 0.000 0.864 503 T HN 0.640 nan 8.240 nan 0.000 0.419 504 E N 0.913 121.119 120.200 0.011 0.000 2.130 504 E HA -0.143 4.207 4.350 0.000 0.000 0.196 504 E C 2.459 179.114 176.600 0.092 0.000 0.998 504 E CA 1.206 57.658 56.400 0.087 0.000 0.806 504 E CB -0.182 29.592 29.700 0.124 0.000 0.738 504 E HN 0.297 nan 8.360 nan 0.000 0.459 505 S N -0.147 115.623 115.700 0.116 0.000 2.356 505 S HA -0.165 4.305 4.470 0.000 0.000 0.223 505 S C 1.682 176.303 174.600 0.035 0.000 1.032 505 S CA 0.897 59.162 58.200 0.107 0.000 1.005 505 S CB -0.261 63.057 63.200 0.197 0.000 0.867 505 S HN 0.321 nan 8.310 nan 0.000 0.449 506 F N 1.880 121.735 119.950 -0.158 0.000 2.134 506 F HA -0.046 4.481 4.527 0.000 0.000 0.299 506 F C 2.115 177.830 175.800 -0.143 0.000 1.097 506 F CA 1.353 59.162 58.000 -0.319 0.000 1.264 506 F CB -0.563 38.187 39.000 -0.417 0.000 1.001 506 F HN 0.034 nan 8.300 nan 0.000 0.479 507 V N 0.544 120.479 119.914 0.035 0.000 2.255 507 V HA -0.346 3.774 4.120 0.000 0.000 0.247 507 V C 2.761 178.818 176.094 -0.063 0.000 1.051 507 V CA 1.932 64.247 62.300 0.024 0.000 1.018 507 V CB -1.570 30.310 31.823 0.095 0.000 0.641 507 V HN 0.471 nan 8.190 nan 0.000 0.445 508 A N -1.689 121.109 122.820 -0.037 0.000 1.948 508 A HA -0.164 4.156 4.320 0.000 0.000 0.220 508 A C 1.586 179.120 177.584 -0.083 0.000 1.177 508 A CA 2.543 54.556 52.037 -0.039 0.000 0.636 508 A CB -0.317 18.677 19.000 -0.009 0.000 0.815 508 A HN 0.566 nan 8.150 nan 0.000 0.449 509 T N 0.000 114.464 114.554 -0.149 0.000 3.816 509 T HA 0.000 4.350 4.350 0.000 0.000 0.228 509 T CA 0.000 61.996 62.100 -0.173 0.000 1.349 509 T CB 0.000 68.804 68.868 -0.106 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658