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_L 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 AQXXSDLDAS 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 0.000 175.493 175.510 -0.028 0.000 1.280 26 N CA 0.000 53.042 53.050 -0.013 0.000 0.885 26 N CB 0.000 38.478 38.487 -0.015 0.000 1.341 27 L N 1.617 122.816 121.223 -0.040 0.000 2.627 27 L HA 0.179 4.519 4.340 -0.000 0.000 0.233 27 L C 0.945 177.754 176.870 -0.102 0.000 1.144 27 L CA 0.158 54.948 54.840 -0.083 0.000 0.892 27 L CB -0.164 41.820 42.059 -0.124 0.000 1.039 27 L HN 0.426 nan 8.230 nan 0.000 0.442 28 N N -0.201 118.456 118.700 -0.071 0.000 2.368 28 N HA -0.072 4.668 4.740 -0.000 0.000 0.176 28 N C 1.483 176.956 175.510 -0.062 0.000 1.021 28 N CA 0.830 53.839 53.050 -0.068 0.000 0.888 28 N CB 0.267 38.725 38.487 -0.049 0.000 0.995 28 N HN 0.221 nan 8.380 nan 0.000 0.437 29 E N -0.526 119.642 120.200 -0.054 0.000 2.490 29 E HA 0.121 4.471 4.350 -0.000 0.000 0.209 29 E C 0.233 176.798 176.600 -0.058 0.000 0.971 29 E CA 0.314 56.685 56.400 -0.049 0.000 0.988 29 E CB 0.756 30.435 29.700 -0.035 0.000 1.029 29 E HN 0.350 nan 8.360 nan 0.000 0.496 30 T N -2.124 112.392 114.554 -0.064 0.000 2.901 30 T HA 0.782 5.132 4.350 -0.000 0.000 0.293 30 T C 0.302 174.953 174.700 -0.082 0.000 1.084 30 T CA -0.617 61.440 62.100 -0.072 0.000 1.008 30 T CB 2.535 71.373 68.868 -0.049 0.000 1.170 30 T HN -0.009 nan 8.240 nan 0.000 0.509 31 G N 0.016 108.763 108.800 -0.088 0.000 3.022 31 G HA2 0.737 4.697 3.960 -0.000 0.000 0.284 31 G HA3 0.737 4.697 3.960 -0.000 0.000 0.284 31 G C -1.538 173.358 174.900 -0.008 0.000 1.375 31 G CA -1.143 43.923 45.100 -0.057 0.000 0.902 31 G HN 0.797 nan 8.290 nan 0.000 0.538 32 R N -0.737 119.807 120.500 0.074 0.000 2.628 32 R HA 0.497 4.836 4.340 -0.000 0.000 0.288 32 R C -1.020 175.347 176.300 0.111 0.000 0.980 32 R CA -0.667 55.489 56.100 0.093 0.000 0.891 32 R CB 2.621 33.000 30.300 0.132 0.000 1.188 32 R HN 0.320 nan 8.270 nan 0.000 0.450 33 V N 5.518 125.492 119.914 0.100 0.000 2.479 33 V HA -0.000 4.120 4.120 -0.000 0.000 0.281 33 V C 1.424 177.573 176.094 0.092 0.000 1.031 33 V CA 0.411 62.786 62.300 0.124 0.000 1.038 33 V CB 0.885 32.810 31.823 0.171 0.000 0.981 33 V HN 0.748 nan 8.190 nan 0.000 0.478 34 L N 4.323 125.599 121.223 0.088 0.000 2.162 34 L HA 0.387 4.727 4.340 -0.000 0.000 0.205 34 L C 0.946 177.837 176.870 0.035 0.000 1.086 34 L CA 1.247 56.115 54.840 0.047 0.000 0.778 34 L CB -0.059 42.031 42.059 0.051 0.000 0.928 34 L HN 0.781 nan 8.230 nan 0.000 0.446 35 A N -1.027 121.822 122.820 0.048 0.000 2.605 35 A HA 0.668 4.988 4.320 -0.000 0.000 0.294 35 A C -1.710 175.897 177.584 0.039 0.000 1.062 35 A CA -0.402 51.655 52.037 0.033 0.000 0.682 35 A CB 1.909 20.920 19.000 0.019 0.000 1.278 35 A HN -0.214 nan 8.150 nan 0.000 0.410 36 V N 0.181 120.107 119.914 0.020 0.000 2.969 36 V HA 0.939 5.059 4.120 -0.000 0.000 0.304 36 V C -0.270 175.815 176.094 -0.015 0.000 1.192 36 V CA 0.804 63.106 62.300 0.004 0.000 0.962 36 V CB 2.107 33.932 31.823 0.003 0.000 1.045 36 V HN 2.532 nan 8.190 nan 0.000 0.428 37 G N 3.084 111.867 108.800 -0.029 0.000 2.429 37 G HA2 0.474 4.434 3.960 -0.000 0.000 0.300 37 G HA3 0.474 4.434 3.960 -0.000 0.000 0.300 37 G C -0.824 174.053 174.900 -0.039 0.000 1.598 37 G CA 0.100 45.181 45.100 -0.032 0.000 0.863 37 G HN 1.031 nan 8.290 nan 0.000 0.614 38 D N -0.402 119.975 120.400 -0.039 0.000 2.811 38 D HA -0.194 4.446 4.640 -0.000 0.000 0.231 38 D C 1.639 177.908 176.300 -0.052 0.000 1.157 38 D CA 2.738 56.714 54.000 -0.040 0.000 0.716 38 D CB -1.182 39.597 40.800 -0.035 0.000 1.077 38 D HN 2.327 nan 8.370 nan 0.000 0.428 39 G N -1.113 107.646 108.800 -0.068 0.000 2.155 39 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.257 39 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.257 39 G C 0.188 175.029 174.900 -0.098 0.000 0.983 39 G CA 0.395 45.440 45.100 -0.092 0.000 0.676 39 G HN 0.471 nan 8.290 nan 0.000 0.528 40 I N 0.750 121.276 120.570 -0.074 0.000 2.441 40 I HA 0.778 4.948 4.170 -0.000 0.000 0.295 40 I C 0.429 176.529 176.117 -0.027 0.000 0.994 40 I CA -1.225 60.043 61.300 -0.053 0.000 1.144 40 I CB 1.479 39.454 38.000 -0.041 0.000 1.314 40 I HN 0.435 nan 8.210 nan 0.000 0.445 41 A N 6.797 129.631 122.820 0.023 0.000 2.356 41 A HA 0.736 5.056 4.320 -0.000 0.000 0.310 41 A C -0.369 177.277 177.584 0.104 0.000 1.075 41 A CA -0.754 51.339 52.037 0.094 0.000 0.746 41 A CB 1.232 20.371 19.000 0.232 0.000 1.221 41 A HN 0.674 nan 8.150 nan 0.000 0.443 42 R N 1.510 122.062 120.500 0.087 0.000 2.215 42 R HA 0.513 4.853 4.340 -0.000 0.000 0.336 42 R C -1.175 175.183 176.300 0.096 0.000 0.996 42 R CA -0.265 55.880 56.100 0.074 0.000 0.847 42 R CB 1.419 31.752 30.300 0.054 0.000 1.127 42 R HN 0.485 nan 8.270 nan 0.000 0.465 43 V N 4.856 124.821 119.914 0.085 0.000 2.398 43 V HA 0.289 4.409 4.120 -0.000 0.000 0.286 43 V C -0.283 175.880 176.094 0.115 0.000 1.026 43 V CA -0.865 61.486 62.300 0.085 0.000 0.868 43 V CB 1.211 33.041 31.823 0.012 0.000 0.982 43 V HN 0.517 nan 8.190 nan 0.000 0.443 44 F N 4.340 124.284 119.950 -0.010 0.000 2.412 44 F HA 0.703 5.230 4.527 -0.000 0.000 0.348 44 F C 0.895 176.681 175.800 -0.023 0.000 1.102 44 F CA 1.402 59.394 58.000 -0.013 0.000 1.196 44 F CB 0.786 39.781 39.000 -0.008 0.000 1.144 44 F HN 0.927 nan 8.300 nan 0.000 0.541 45 G N 4.182 112.582 108.800 -0.666 0.000 2.475 45 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.223 45 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.223 45 G C 0.105 174.849 174.900 -0.261 0.000 1.201 45 G CA -0.458 44.345 45.100 -0.495 0.000 0.962 45 G HN 1.418 nan 8.290 nan 0.000 0.586 46 L N -0.462 120.654 121.223 -0.177 0.000 3.843 46 L HA -0.232 4.108 4.340 -0.000 0.000 0.411 46 L C 1.661 178.464 176.870 -0.111 0.000 1.205 46 L CA 0.608 55.374 54.840 -0.123 0.000 0.945 46 L CB -1.433 40.563 42.059 -0.106 0.000 1.929 46 L HN 0.653 nan 8.230 nan 0.000 0.934 47 N N 0.284 118.906 118.700 -0.130 0.000 2.322 47 N HA -0.152 4.588 4.740 -0.000 0.000 0.189 47 N C 1.219 176.687 175.510 -0.070 0.000 1.012 47 N CA 1.578 54.565 53.050 -0.106 0.000 0.880 47 N CB -0.201 38.220 38.487 -0.110 0.000 0.967 47 N HN 0.558 nan 8.380 nan 0.000 0.439 48 N N 0.158 118.821 118.700 -0.061 0.000 2.203 48 N HA 0.151 4.891 4.740 -0.000 0.000 0.207 48 N C 0.260 175.749 175.510 -0.035 0.000 1.130 48 N CA -0.175 52.849 53.050 -0.043 0.000 0.861 48 N CB 0.863 39.328 38.487 -0.036 0.000 1.005 48 N HN 0.301 nan 8.380 nan 0.000 0.507 49 I N 1.195 121.741 120.570 -0.041 0.000 2.754 49 I HA -0.053 4.117 4.170 -0.000 0.000 0.285 49 I C 0.097 176.203 176.117 -0.019 0.000 1.166 49 I CA -0.117 61.164 61.300 -0.031 0.000 1.417 49 I CB 0.693 38.670 38.000 -0.038 0.000 1.382 49 I HN 0.001 nan 8.210 nan 0.000 0.588 50 Q N 5.106 124.901 119.800 -0.008 0.000 2.230 50 Q HA 0.496 4.836 4.340 -0.000 0.000 0.248 50 Q C -0.241 175.762 176.000 0.006 0.000 0.915 50 Q CA -0.902 54.900 55.803 -0.001 0.000 0.900 50 Q CB 1.523 30.264 28.738 0.005 0.000 1.229 50 Q HN 0.769 nan 8.270 nan 0.000 0.439 51 A N 2.215 125.040 122.820 0.007 0.000 2.520 51 A HA 0.029 4.349 4.320 -0.000 0.000 0.245 51 A C 0.136 177.734 177.584 0.023 0.000 1.072 51 A CA 0.290 52.335 52.037 0.013 0.000 0.761 51 A CB -0.218 18.791 19.000 0.014 0.000 1.004 51 A HN 0.977 nan 8.150 nan 0.000 0.499 52 E N -0.418 119.801 120.200 0.031 0.000 3.181 52 E HA -0.195 4.155 4.350 -0.000 0.000 0.293 52 E C 0.102 176.740 176.600 0.064 0.000 0.936 52 E CA 1.130 57.561 56.400 0.051 0.000 0.975 52 E CB -1.406 28.321 29.700 0.045 0.000 1.496 52 E HN 0.919 nan 8.360 nan 0.000 0.429 53 E N 0.883 121.113 120.200 0.050 0.000 2.354 53 E HA 0.263 4.613 4.350 -0.000 0.000 0.269 53 E C -0.254 176.399 176.600 0.088 0.000 1.036 53 E CA -0.474 55.958 56.400 0.054 0.000 0.876 53 E CB 0.671 30.388 29.700 0.028 0.000 1.009 53 E HN 0.116 nan 8.360 nan 0.000 0.416 54 L N 5.398 126.686 121.223 0.108 0.000 2.416 54 L HA 0.150 4.490 4.340 -0.000 0.000 0.272 54 L C -0.634 176.300 176.870 0.106 0.000 1.161 54 L CA 0.107 55.041 54.840 0.156 0.000 0.845 54 L CB 0.950 43.093 42.059 0.139 0.000 1.119 54 L HN 0.375 nan 8.230 nan 0.000 0.464 55 V N 1.268 121.258 119.914 0.127 0.000 3.046 55 V HA 0.686 4.806 4.120 -0.000 0.000 0.316 55 V C -0.651 175.501 176.094 0.097 0.000 1.104 55 V CA -0.878 61.451 62.300 0.048 0.000 1.006 55 V CB 1.924 33.714 31.823 -0.056 0.000 1.058 55 V HN 0.786 nan 8.190 nan 0.000 0.440 56 E N 1.195 121.404 120.200 0.015 0.000 2.185 56 E HA 0.541 4.891 4.350 -0.000 0.000 0.261 56 E C -1.659 174.948 176.600 0.011 0.000 0.879 56 E CA -0.425 56.027 56.400 0.086 0.000 0.756 56 E CB 1.900 31.641 29.700 0.067 0.000 1.152 56 E HN 0.618 nan 8.360 nan 0.000 0.416 57 F N 1.335 121.309 119.950 0.041 0.000 2.389 57 F HA 0.011 4.538 4.527 -0.000 0.000 0.337 57 F C 2.016 177.834 175.800 0.030 0.000 1.112 57 F CA 0.028 58.047 58.000 0.032 0.000 1.192 57 F CB 1.246 40.264 39.000 0.030 0.000 1.185 57 F HN 0.487 nan 8.300 nan 0.000 0.552 58 S N 0.324 116.130 115.700 0.176 0.000 2.382 58 S HA -0.193 4.277 4.470 -0.000 0.000 0.228 58 S C 1.991 176.662 174.600 0.117 0.000 1.027 58 S CA 1.368 59.635 58.200 0.111 0.000 0.991 58 S CB -0.860 62.386 63.200 0.076 0.000 0.823 58 S HN 0.697 nan 8.310 nan 0.000 0.469 59 S N 0.071 115.859 115.700 0.146 0.000 2.515 59 S HA 0.411 4.881 4.470 -0.000 0.000 0.231 59 S C 1.563 176.211 174.600 0.079 0.000 0.987 59 S CA 0.886 59.143 58.200 0.094 0.000 0.936 59 S CB -0.474 62.770 63.200 0.075 0.000 0.766 59 S HN 1.320 nan 8.310 nan 0.000 0.528 60 G N 0.124 108.989 108.800 0.109 0.000 3.753 60 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.196 60 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.196 60 G C 0.014 174.980 174.900 0.110 0.000 1.538 60 G CA -0.245 44.908 45.100 0.088 0.000 1.040 60 G HN 0.747 nan 8.290 nan 0.000 0.427 61 V N 3.036 122.999 119.914 0.082 0.000 2.763 61 V HA 0.435 4.555 4.120 -0.000 0.000 0.306 61 V C 0.635 176.847 176.094 0.196 0.000 1.059 61 V CA 0.566 62.908 62.300 0.069 0.000 1.138 61 V CB 0.962 32.739 31.823 -0.078 0.000 0.940 61 V HN 0.426 nan 8.190 nan 0.000 0.489 62 K N 3.899 124.443 120.400 0.239 0.000 2.090 62 K HA 0.753 5.073 4.320 -0.000 0.000 0.249 62 K C 0.087 176.925 176.600 0.396 0.000 0.995 62 K CA 0.083 56.583 56.287 0.354 0.000 0.914 62 K CB 1.619 34.319 32.500 0.335 0.000 1.057 62 K HN 0.926 nan 8.250 nan 0.000 0.462 63 G N 0.272 109.319 108.800 0.412 0.000 2.687 63 G HA2 0.553 4.513 3.960 -0.000 0.000 0.291 63 G HA3 0.553 4.513 3.960 -0.000 0.000 0.291 63 G C -1.844 173.136 174.900 0.134 0.000 1.420 63 G CA -0.730 44.457 45.100 0.144 0.000 0.796 63 G HN 0.477 nan 8.290 nan 0.000 0.485 64 M N 0.976 120.512 119.600 -0.106 0.000 2.326 64 M HA 0.674 5.154 4.480 -0.000 0.000 0.306 64 M C -0.404 175.895 176.300 -0.001 0.000 1.054 64 M CA -0.861 54.454 55.300 0.024 0.000 0.922 64 M CB 1.918 34.537 32.600 0.031 0.000 1.632 64 M HN 0.747 nan 8.290 nan 0.000 0.436 65 A N 5.672 128.511 122.820 0.032 0.000 2.310 65 A HA 0.473 4.793 4.320 -0.000 0.000 0.300 65 A C -0.008 177.580 177.584 0.007 0.000 1.269 65 A CA -0.409 51.635 52.037 0.012 0.000 0.909 65 A CB -0.069 18.936 19.000 0.009 0.000 1.144 65 A HN 1.087 nan 8.150 nan 0.000 0.540 66 L N 1.550 122.768 121.223 -0.008 0.000 2.547 66 L HA 0.179 4.519 4.340 -0.000 0.000 0.218 66 L C -0.004 176.864 176.870 -0.003 0.000 1.048 66 L CA 0.146 54.981 54.840 -0.008 0.000 0.859 66 L CB 0.126 42.164 42.059 -0.035 0.000 1.128 66 L HN 0.551 nan 8.230 nan 0.000 0.483 67 N N 1.158 119.854 118.700 -0.006 0.000 2.444 67 N HA 0.393 5.133 4.740 -0.000 0.000 0.262 67 N C -0.990 174.518 175.510 -0.002 0.000 0.974 67 N CA -0.025 53.023 53.050 -0.003 0.000 0.933 67 N CB 1.433 39.917 38.487 -0.005 0.000 1.137 67 N HN 0.012 nan 8.380 nan 0.000 0.498 68 L N 2.315 123.537 121.223 -0.001 0.000 2.272 68 L HA 0.399 4.739 4.340 -0.000 0.000 0.284 68 L C 0.337 177.204 176.870 -0.005 0.000 1.045 68 L CA -0.349 54.487 54.840 -0.006 0.000 0.842 68 L CB 0.476 42.530 42.059 -0.008 0.000 1.224 68 L HN 0.344 nan 8.230 nan 0.000 0.430 69 E N 3.134 123.332 120.200 -0.003 0.000 2.249 69 E HA 0.343 4.693 4.350 -0.000 0.000 0.263 69 E C -1.724 174.876 176.600 -0.000 0.000 0.950 69 E CA -1.799 54.602 56.400 0.002 0.000 0.827 69 E CB 1.617 31.323 29.700 0.010 0.000 1.220 69 E HN 0.252 nan 8.360 nan 0.000 0.411 70 P HA -0.192 nan 4.420 nan 0.000 0.213 70 P C 1.135 178.441 177.300 0.010 0.000 1.176 70 P CA 1.473 64.576 63.100 0.004 0.000 0.919 70 P CB 0.033 31.741 31.700 0.013 0.000 0.791 71 G N -1.786 107.038 108.800 0.040 0.000 2.712 71 G HA2 0.010 3.970 3.960 -0.000 0.000 0.212 71 G HA3 0.010 3.970 3.960 -0.000 0.000 0.212 71 G C 0.363 175.328 174.900 0.108 0.000 1.142 71 G CA 0.195 45.350 45.100 0.092 0.000 0.789 71 G HN 0.505 nan 8.290 nan 0.000 0.535 72 Q N -1.637 118.193 119.800 0.050 0.000 2.633 72 Q HA 0.578 4.918 4.340 -0.000 0.000 0.289 72 Q C -2.056 173.953 176.000 0.014 0.000 0.940 72 Q CA -0.955 54.882 55.803 0.057 0.000 0.785 72 Q CB 1.664 30.459 28.738 0.096 0.000 1.467 72 Q HN -0.086 nan 8.270 nan 0.000 0.401 73 V N 0.178 120.099 119.914 0.012 0.000 2.667 73 V HA 0.812 4.932 4.120 -0.000 0.000 0.308 73 V C 0.112 176.217 176.094 0.018 0.000 1.048 73 V CA -0.246 62.055 62.300 0.002 0.000 0.928 73 V CB 1.810 33.622 31.823 -0.019 0.000 1.004 73 V HN 0.859 nan 8.190 nan 0.000 0.444 74 G N 3.673 112.480 108.800 0.011 0.000 2.468 74 G HA2 0.708 4.668 3.960 -0.000 0.000 0.315 74 G HA3 0.708 4.668 3.960 -0.000 0.000 0.315 74 G C -0.901 174.004 174.900 0.007 0.000 1.203 74 G CA -0.322 44.785 45.100 0.011 0.000 0.962 74 G HN 0.563 nan 8.290 nan 0.000 0.476 75 I N 2.495 123.083 120.570 0.030 0.000 2.433 75 I HA 0.316 4.486 4.170 -0.000 0.000 0.292 75 I C 0.237 176.346 176.117 -0.014 0.000 1.001 75 I CA -1.234 60.084 61.300 0.030 0.000 1.119 75 I CB 2.338 40.412 38.000 0.124 0.000 1.289 75 I HN 0.349 nan 8.210 nan 0.000 0.438 76 V N 5.577 125.430 119.914 -0.101 0.000 2.465 76 V HA 0.522 4.642 4.120 -0.000 0.000 0.279 76 V C -0.198 175.703 176.094 -0.322 0.000 1.045 76 V CA -0.652 61.534 62.300 -0.191 0.000 0.938 76 V CB 1.061 32.752 31.823 -0.221 0.000 0.986 76 V HN 0.506 nan 8.190 nan 0.000 0.467 77 L N 4.397 125.453 121.223 -0.278 0.000 2.350 77 L HA 0.448 4.788 4.340 -0.000 0.000 0.275 77 L C 0.002 176.685 176.870 -0.313 0.000 1.099 77 L CA -0.311 54.354 54.840 -0.292 0.000 0.808 77 L CB 0.698 42.611 42.059 -0.243 0.000 1.149 77 L HN 0.596 nan 8.230 nan 0.000 0.442 78 F N 1.574 121.540 119.950 0.027 0.000 2.949 78 F HA 0.456 4.983 4.527 -0.000 0.000 0.291 78 F C 1.043 176.853 175.800 0.017 0.000 1.214 78 F CA -0.298 57.726 58.000 0.040 0.000 1.381 78 F CB -0.091 38.947 39.000 0.062 0.000 1.066 78 F HN 0.557 nan 8.300 nan 0.000 0.520 79 G N -1.182 107.678 108.800 0.100 0.000 2.428 79 G HA2 0.321 4.281 3.960 -0.000 0.000 0.305 79 G HA3 0.321 4.281 3.960 -0.000 0.000 0.305 79 G C -1.230 173.666 174.900 -0.006 0.000 1.260 79 G CA -0.658 44.476 45.100 0.056 0.000 0.853 79 G HN 0.012 nan 8.290 nan 0.000 0.480 80 S N -0.842 114.848 115.700 -0.017 0.000 2.624 80 S HA 0.409 4.879 4.470 -0.000 0.000 0.263 80 S C 0.715 175.266 174.600 -0.082 0.000 1.287 80 S CA 0.651 58.829 58.200 -0.036 0.000 0.990 80 S CB 1.034 64.222 63.200 -0.021 0.000 0.950 80 S HN 0.705 nan 8.310 nan 0.000 0.561 81 D N 0.936 121.286 120.400 -0.084 0.000 2.398 81 D HA 0.106 4.746 4.640 -0.000 0.000 0.210 81 D C 1.378 177.630 176.300 -0.080 0.000 1.094 81 D CA -0.108 53.823 54.000 -0.116 0.000 0.839 81 D CB -0.229 40.501 40.800 -0.116 0.000 0.963 81 D HN 0.501 nan 8.370 nan 0.000 0.506 82 R N 0.360 120.829 120.500 -0.052 0.000 2.140 82 R HA -0.103 4.237 4.340 -0.000 0.000 0.250 82 R C 1.751 178.033 176.300 -0.030 0.000 1.150 82 R CA 1.371 57.452 56.100 -0.032 0.000 0.966 82 R CB -0.354 29.934 30.300 -0.020 0.000 0.869 82 R HN 0.267 nan 8.270 nan 0.000 0.445 83 L N 0.582 121.783 121.223 -0.037 0.000 2.585 83 L HA 0.131 4.471 4.340 -0.000 0.000 0.226 83 L C 0.177 177.036 176.870 -0.018 0.000 1.113 83 L CA -0.301 54.527 54.840 -0.019 0.000 0.876 83 L CB 0.586 42.640 42.059 -0.009 0.000 1.072 83 L HN -0.081 nan 8.230 nan 0.000 0.468 84 V N 0.688 120.569 119.914 -0.054 0.000 2.775 84 V HA 0.171 4.291 4.120 -0.000 0.000 0.299 84 V C 0.072 176.169 176.094 0.005 0.000 1.062 84 V CA -0.187 62.092 62.300 -0.036 0.000 1.063 84 V CB 1.228 32.955 31.823 -0.160 0.000 0.994 84 V HN 0.195 nan 8.190 nan 0.000 0.483 85 K N 1.714 122.142 120.400 0.048 0.000 2.508 85 K HA 0.360 4.680 4.320 -0.000 0.000 0.260 85 K C -0.615 176.021 176.600 0.061 0.000 0.949 85 K CA -0.875 55.437 56.287 0.041 0.000 0.834 85 K CB 2.504 35.025 32.500 0.035 0.000 1.365 85 K HN 0.801 nan 8.250 nan 0.000 0.437 86 E N 0.465 120.691 120.200 0.043 0.000 2.558 86 E HA -0.056 4.293 4.350 -0.000 0.000 0.255 86 E C 0.567 177.193 176.600 0.043 0.000 0.968 86 E CA 1.582 58.008 56.400 0.042 0.000 0.939 86 E CB 0.084 29.797 29.700 0.021 0.000 0.921 86 E HN 0.768 nan 8.360 nan 0.000 0.477 87 G N 3.775 112.606 108.800 0.051 0.000 2.258 87 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.233 87 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.233 87 G C 0.233 175.169 174.900 0.059 0.000 1.006 87 G CA 0.197 45.324 45.100 0.045 0.000 0.620 87 G HN 0.683 nan 8.290 nan 0.000 0.511 88 E N 0.677 120.926 120.200 0.081 0.000 2.502 88 E HA 0.303 4.653 4.350 -0.000 0.000 0.261 88 E C 0.681 177.324 176.600 0.073 0.000 0.974 88 E CA -0.361 56.098 56.400 0.098 0.000 0.936 88 E CB 0.279 30.078 29.700 0.166 0.000 0.926 88 E HN 0.496 nan 8.360 nan 0.000 0.459 89 L N 4.963 126.213 121.223 0.045 0.000 2.416 89 L HA 0.207 4.547 4.340 -0.000 0.000 0.272 89 L C -1.065 175.760 176.870 -0.075 0.000 1.161 89 L CA -0.331 54.507 54.840 -0.004 0.000 0.845 89 L CB 0.713 42.774 42.059 0.003 0.000 1.119 89 L HN 0.334 nan 8.230 nan 0.000 0.464 90 V N 4.877 124.686 119.914 -0.174 0.000 2.680 90 V HA 0.517 4.637 4.120 -0.000 0.000 0.309 90 V C -0.452 175.503 176.094 -0.232 0.000 1.052 90 V CA -0.886 61.185 62.300 -0.381 0.000 0.908 90 V CB 1.811 33.261 31.823 -0.621 0.000 1.001 90 V HN 0.702 nan 8.190 nan 0.000 0.431 91 K N 2.820 123.096 120.400 -0.207 0.000 2.427 91 K HA 0.579 4.899 4.320 -0.000 0.000 0.252 91 K C -0.273 176.274 176.600 -0.088 0.000 0.931 91 K CA -0.811 55.411 56.287 -0.109 0.000 0.793 91 K CB 2.041 34.505 32.500 -0.060 0.000 1.211 91 K HN 0.668 nan 8.250 nan 0.000 0.426 92 R N 0.764 121.225 120.500 -0.065 0.000 2.801 92 R HA 0.093 4.433 4.340 -0.000 0.000 0.273 92 R C 0.333 176.622 176.300 -0.018 0.000 1.080 92 R CA 0.380 56.456 56.100 -0.041 0.000 1.197 92 R CB 0.566 30.844 30.300 -0.035 0.000 1.109 92 R HN 0.664 nan 8.270 nan 0.000 0.535 93 T N -1.059 113.494 114.554 -0.002 0.000 2.980 93 T HA 0.154 4.504 4.350 -0.000 0.000 0.252 93 T C 0.892 175.596 174.700 0.007 0.000 0.962 93 T CA 0.419 62.525 62.100 0.009 0.000 0.932 93 T CB 0.723 69.607 68.868 0.027 0.000 1.188 93 T HN 0.879 nan 8.240 nan 0.000 0.500 94 G N 2.404 111.207 108.800 0.004 0.000 2.155 94 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.257 94 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.257 94 G C -0.200 174.706 174.900 0.010 0.000 0.983 94 G CA 0.163 45.265 45.100 0.003 0.000 0.676 94 G HN 0.575 nan 8.290 nan 0.000 0.528 95 N N 0.051 118.761 118.700 0.018 0.000 2.314 95 N HA 0.610 5.350 4.740 -0.000 0.000 0.294 95 N C 0.207 175.736 175.510 0.032 0.000 1.029 95 N CA -1.157 51.905 53.050 0.021 0.000 0.845 95 N CB 1.403 39.903 38.487 0.020 0.000 1.321 95 N HN 0.019 nan 8.380 nan 0.000 0.481 96 I N 1.540 122.127 120.570 0.029 0.000 2.754 96 I HA 0.016 4.186 4.170 -0.000 0.000 0.285 96 I C 0.620 176.763 176.117 0.043 0.000 1.166 96 I CA -0.355 60.968 61.300 0.037 0.000 1.417 96 I CB 0.185 38.200 38.000 0.025 0.000 1.382 96 I HN 0.283 nan 8.210 nan 0.000 0.588 97 V N 6.151 126.105 119.914 0.066 0.000 2.509 97 V HA -0.024 4.096 4.120 -0.000 0.000 0.297 97 V C 0.278 176.388 176.094 0.027 0.000 1.014 97 V CA 0.139 62.477 62.300 0.063 0.000 1.127 97 V CB -0.346 31.551 31.823 0.122 0.000 0.925 97 V HN 0.911 nan 8.190 nan 0.000 0.480 98 D N 4.389 124.792 120.400 0.006 0.000 2.566 98 D HA 0.749 5.389 4.640 -0.000 0.000 0.254 98 D C -0.590 175.699 176.300 -0.018 0.000 1.090 98 D CA -0.669 53.331 54.000 0.000 0.000 1.034 98 D CB 2.172 42.975 40.800 0.005 0.000 1.434 98 D HN 0.433 nan 8.370 nan 0.000 0.509 99 V N -4.928 114.980 119.914 -0.011 0.000 3.007 99 V HA 0.684 4.804 4.120 -0.000 0.000 0.311 99 V C -2.841 173.238 176.094 -0.025 0.000 1.120 99 V CA -2.244 60.042 62.300 -0.023 0.000 0.980 99 V CB 1.779 33.593 31.823 -0.015 0.000 1.033 99 V HN 0.589 nan 8.190 nan 0.000 0.429 100 P HA 0.283 nan 4.420 nan 0.000 0.268 100 P C -0.446 176.807 177.300 -0.079 0.000 1.204 100 P CA 0.299 63.363 63.100 -0.061 0.000 0.768 100 P CB 1.352 33.012 31.700 -0.066 0.000 0.842 101 V N -0.635 119.205 119.914 -0.124 0.000 3.102 101 V HA 1.016 5.136 4.120 -0.000 0.000 0.312 101 V C -0.095 175.729 176.094 -0.449 0.000 1.135 101 V CA -0.248 61.938 62.300 -0.190 0.000 1.022 101 V CB 1.468 33.254 31.823 -0.061 0.000 1.056 101 V HN 1.002 nan 8.190 nan 0.000 0.436 102 G N 1.746 110.074 108.800 -0.786 0.000 2.355 102 G HA2 0.199 4.159 3.960 -0.000 0.000 0.619 102 G HA3 0.199 4.159 3.960 -0.000 0.000 0.619 102 G C -2.587 171.626 174.900 -1.144 0.000 1.337 102 G CA 0.013 44.201 45.100 -1.520 0.000 0.993 102 G HN 0.723 nan 8.290 nan 0.000 0.599 103 P HA 0.002 nan 4.420 nan 0.000 0.221 103 P C 1.958 179.095 177.300 -0.271 0.000 1.150 103 P CA 1.753 64.502 63.100 -0.584 0.000 0.800 103 P CB -0.217 31.217 31.700 -0.444 0.000 0.787 104 G N 0.113 108.732 108.800 -0.303 0.000 2.537 104 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.220 104 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.220 104 G C 1.233 176.066 174.900 -0.112 0.000 1.111 104 G CA 0.402 45.399 45.100 -0.170 0.000 0.748 104 G HN 0.235 nan 8.290 nan 0.000 0.564 105 L N -0.069 121.086 121.223 -0.115 0.000 2.558 105 L HA 0.338 4.678 4.340 -0.000 0.000 0.225 105 L C 1.139 178.024 176.870 0.025 0.000 1.128 105 L CA -0.041 54.775 54.840 -0.040 0.000 0.868 105 L CB -0.063 41.975 42.059 -0.035 0.000 1.006 105 L HN 0.072 nan 8.230 nan 0.000 0.454 106 L N 0.484 121.740 121.223 0.054 0.000 2.559 106 L HA 0.185 4.524 4.340 -0.000 0.000 0.274 106 L C 1.435 178.339 176.870 0.057 0.000 1.205 106 L CA 0.798 55.700 54.840 0.103 0.000 0.907 106 L CB -0.168 41.985 42.059 0.158 0.000 1.153 106 L HN 0.427 nan 8.230 nan 0.000 0.490 107 G N 1.938 110.764 108.800 0.042 0.000 2.175 107 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.244 107 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.244 107 G C 0.236 175.137 174.900 0.002 0.000 0.982 107 G CA -0.494 44.611 45.100 0.009 0.000 0.641 107 G HN 0.455 nan 8.290 nan 0.000 0.527 108 R N -0.368 120.138 120.500 0.011 0.000 2.732 108 R HA 0.716 5.056 4.340 -0.000 0.000 0.278 108 R C -0.309 175.998 176.300 0.013 0.000 0.976 108 R CA -0.745 55.359 56.100 0.006 0.000 0.963 108 R CB 1.834 32.135 30.300 0.002 0.000 1.150 108 R HN 0.198 nan 8.270 nan 0.000 0.478 109 V N 2.648 122.569 119.914 0.011 0.000 2.384 109 V HA 0.448 4.568 4.120 -0.000 0.000 0.287 109 V C 0.069 176.173 176.094 0.017 0.000 1.020 109 V CA -0.741 61.571 62.300 0.020 0.000 0.850 109 V CB 1.580 33.413 31.823 0.017 0.000 0.987 109 V HN 0.598 nan 8.190 nan 0.000 0.436 110 V N 1.206 121.134 119.914 0.023 0.000 3.040 110 V HA 0.800 4.920 4.120 -0.000 0.000 0.312 110 V C -0.505 175.600 176.094 0.018 0.000 1.115 110 V CA -0.945 61.363 62.300 0.014 0.000 0.998 110 V CB 2.120 33.946 31.823 0.006 0.000 1.042 110 V HN 0.801 nan 8.190 nan 0.000 0.433 111 D N 2.372 122.778 120.400 0.010 0.000 2.414 111 D HA 0.441 5.081 4.640 -0.000 0.000 0.251 111 D C 1.296 177.596 176.300 -0.001 0.000 1.252 111 D CA 0.106 54.112 54.000 0.011 0.000 0.999 111 D CB 1.162 41.968 40.800 0.009 0.000 1.093 111 D HN 0.897 nan 8.370 nan 0.000 0.515 112 A N -0.248 122.573 122.820 0.003 0.000 2.084 112 A HA -0.114 4.206 4.320 -0.000 0.000 0.221 112 A C 2.121 179.668 177.584 -0.061 0.000 1.161 112 A CA 1.131 53.164 52.037 -0.007 0.000 0.653 112 A CB -0.796 18.220 19.000 0.027 0.000 0.802 112 A HN 0.558 nan 8.150 nan 0.000 0.457 113 L N -1.671 119.493 121.223 -0.099 0.000 2.628 113 L HA 0.280 4.620 4.340 -0.000 0.000 0.229 113 L C 1.499 178.324 176.870 -0.076 0.000 1.137 113 L CA 0.446 55.204 54.840 -0.137 0.000 0.909 113 L CB 0.108 42.038 42.059 -0.214 0.000 1.137 113 L HN 0.531 nan 8.230 nan 0.000 0.470 114 G N 0.007 108.780 108.800 -0.045 0.000 2.136 114 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.242 114 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.242 114 G C 0.007 174.890 174.900 -0.029 0.000 0.989 114 G CA -0.307 44.774 45.100 -0.032 0.000 0.682 114 G HN 0.362 nan 8.290 nan 0.000 0.522 115 N N 1.882 120.566 118.700 -0.027 0.000 2.497 115 N HA 0.355 5.095 4.740 -0.000 0.000 0.271 115 N C -2.368 173.137 175.510 -0.009 0.000 1.142 115 N CA -0.960 52.079 53.050 -0.018 0.000 0.965 115 N CB 1.426 39.904 38.487 -0.014 0.000 1.077 115 N HN 0.208 nan 8.380 nan 0.000 0.462 116 P HA 0.117 nan 4.420 nan 0.000 0.276 116 P C 0.481 177.781 177.300 0.001 0.000 1.243 116 P CA -0.072 63.025 63.100 -0.004 0.000 0.768 116 P CB 0.445 32.140 31.700 -0.008 0.000 0.856 117 I N 0.161 120.735 120.570 0.006 0.000 4.025 117 I HA 0.198 4.368 4.170 -0.000 0.000 0.336 117 I C 0.471 176.593 176.117 0.008 0.000 1.390 117 I CA -0.114 61.192 61.300 0.010 0.000 1.099 117 I CB -0.145 37.864 38.000 0.016 0.000 1.049 117 I HN 0.035 nan 8.210 nan 0.000 0.394 118 D N 0.957 121.360 120.400 0.005 0.000 2.349 118 D HA 0.152 4.792 4.640 -0.000 0.000 0.214 118 D C 1.633 177.933 176.300 -0.000 0.000 1.063 118 D CA 0.405 54.407 54.000 0.002 0.000 0.847 118 D CB 0.091 40.892 40.800 0.000 0.000 0.933 118 D HN 0.385 nan 8.370 nan 0.000 0.513 119 G N 1.054 109.854 108.800 0.000 0.000 2.179 119 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.257 119 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.257 119 G C 0.603 175.501 174.900 -0.003 0.000 1.010 119 G CA 0.443 45.543 45.100 -0.001 0.000 0.736 119 G HN 0.471 nan 8.290 nan 0.000 0.513 120 K N 0.239 120.636 120.400 -0.004 0.000 2.493 120 K HA 0.472 4.792 4.320 -0.000 0.000 0.207 120 K C 1.332 177.927 176.600 -0.008 0.000 1.033 120 K CA 0.184 56.467 56.287 -0.006 0.000 1.161 120 K CB 0.559 33.055 32.500 -0.007 0.000 0.873 120 K HN 1.415 nan 8.250 nan 0.000 0.491 121 G N 2.427 111.223 108.800 -0.007 0.000 2.728 121 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.294 121 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.294 121 G C -2.780 172.113 174.900 -0.012 0.000 1.342 121 G CA -1.284 43.811 45.100 -0.009 0.000 0.866 121 G HN 0.017 nan 8.290 nan 0.000 0.534 122 P HA 0.371 nan 4.420 nan 0.000 0.267 122 P C 0.271 177.556 177.300 -0.025 0.000 1.200 122 P CA -0.351 62.738 63.100 -0.018 0.000 0.772 122 P CB 0.397 32.086 31.700 -0.018 0.000 0.855 123 I N 2.811 123.362 120.570 -0.031 0.000 2.352 123 I HA 0.095 4.265 4.170 -0.000 0.000 0.290 123 I C 0.259 176.343 176.117 -0.056 0.000 1.036 123 I CA -0.139 61.135 61.300 -0.044 0.000 1.336 123 I CB 0.323 38.295 38.000 -0.046 0.000 1.407 123 I HN 0.242 nan 8.210 nan 0.000 0.497 124 D N 5.843 126.203 120.400 -0.066 0.000 2.339 124 D HA 0.374 5.014 4.640 -0.000 0.000 0.256 124 D C 0.259 176.487 176.300 -0.120 0.000 1.214 124 D CA 0.184 54.136 54.000 -0.080 0.000 0.877 124 D CB 1.074 41.828 40.800 -0.078 0.000 1.111 124 D HN 0.604 nan 8.370 nan 0.000 0.478 125 A N 1.965 124.716 122.820 -0.115 0.000 2.303 125 A HA 0.625 4.945 4.320 -0.000 0.000 0.317 125 A C 1.072 178.558 177.584 -0.164 0.000 1.149 125 A CA -0.316 51.628 52.037 -0.155 0.000 0.822 125 A CB 1.308 20.239 19.000 -0.115 0.000 1.131 125 A HN 0.545 nan 8.150 nan 0.000 0.493 126 A N 1.577 124.250 122.820 -0.245 0.000 1.970 126 A HA 0.490 4.810 4.320 -0.000 0.000 0.216 126 A C 1.196 178.735 177.584 -0.074 0.000 1.170 126 A CA 1.743 53.675 52.037 -0.176 0.000 0.645 126 A CB -0.364 18.476 19.000 -0.265 0.000 0.816 126 A HN 2.036 nan 8.150 nan 0.000 0.447 127 G N -1.592 107.161 108.800 -0.079 0.000 2.494 127 G HA2 0.531 4.491 3.960 -0.000 0.000 0.308 127 G HA3 0.531 4.491 3.960 -0.000 0.000 0.308 127 G C -1.387 173.494 174.900 -0.032 0.000 1.263 127 G CA -0.955 44.129 45.100 -0.027 0.000 0.840 127 G HN 0.225 nan 8.290 nan 0.000 0.479 128 R N -0.356 120.140 120.500 -0.007 0.000 2.670 128 R HA 0.737 5.077 4.340 -0.000 0.000 0.289 128 R C -1.115 175.193 176.300 0.013 0.000 0.965 128 R CA -0.620 55.477 56.100 -0.006 0.000 0.899 128 R CB 2.222 32.517 30.300 -0.009 0.000 1.173 128 R HN 0.405 nan 8.270 nan 0.000 0.456 129 S N 1.416 117.126 115.700 0.016 0.000 2.513 129 S HA 0.412 4.882 4.470 -0.000 0.000 0.299 129 S C -0.362 174.251 174.600 0.022 0.000 1.087 129 S CA -0.860 57.357 58.200 0.028 0.000 1.012 129 S CB 1.814 65.042 63.200 0.047 0.000 1.044 129 S HN 0.393 nan 8.310 nan 0.000 0.485 130 R N 0.983 121.496 120.500 0.021 0.000 2.640 130 R HA 0.144 4.484 4.340 -0.000 0.000 0.270 130 R C 1.432 177.746 176.300 0.024 0.000 1.024 130 R CA 0.205 56.315 56.100 0.017 0.000 1.085 130 R CB 0.179 30.486 30.300 0.011 0.000 0.963 130 R HN 0.808 nan 8.270 nan 0.000 0.426 131 A N 2.950 125.783 122.820 0.022 0.000 1.883 131 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 131 A C 0.907 178.497 177.584 0.011 0.000 1.186 131 A CA 1.272 53.333 52.037 0.039 0.000 0.624 131 A CB -0.063 18.962 19.000 0.042 0.000 0.822 131 A HN 0.630 nan 8.150 nan 0.000 0.444 132 Q N -0.441 119.318 119.800 -0.067 0.000 2.331 132 Q HA 0.554 4.894 4.340 -0.000 0.000 0.257 132 Q C -1.393 174.579 176.000 -0.048 0.000 0.957 132 Q CA 0.080 55.800 55.803 -0.138 0.000 0.923 132 Q CB 1.400 30.007 28.738 -0.218 0.000 1.212 132 Q HN 0.186 nan 8.270 nan 0.000 0.443 133 V N 3.869 123.773 119.914 -0.016 0.000 2.760 133 V HA 0.375 4.495 4.120 -0.000 0.000 0.309 133 V C -0.587 175.516 176.094 0.014 0.000 1.077 133 V CA -1.140 61.166 62.300 0.009 0.000 0.910 133 V CB 2.252 34.093 31.823 0.030 0.000 1.008 133 V HN 0.696 nan 8.190 nan 0.000 0.424 134 K N 2.648 123.059 120.400 0.018 0.000 2.451 134 K HA 0.461 4.781 4.320 -0.000 0.000 0.280 134 K C 0.461 177.079 176.600 0.030 0.000 1.020 134 K CA 0.114 56.418 56.287 0.028 0.000 1.008 134 K CB 0.766 33.283 32.500 0.028 0.000 0.917 134 K HN 0.886 nan 8.250 nan 0.000 0.478 135 A N 5.062 127.903 122.820 0.035 0.000 2.466 135 A HA 0.192 4.512 4.320 -0.000 0.000 0.238 135 A C -2.068 175.534 177.584 0.031 0.000 1.074 135 A CA -1.094 50.963 52.037 0.035 0.000 0.774 135 A CB -0.407 18.616 19.000 0.037 0.000 1.015 135 A HN 0.470 nan 8.150 nan 0.000 0.498 136 P HA 0.242 nan 4.420 nan 0.000 0.267 136 P C 0.709 178.024 177.300 0.024 0.000 1.205 136 P CA 0.551 63.664 63.100 0.021 0.000 0.765 136 P CB 0.612 32.323 31.700 0.018 0.000 0.828 137 G N 1.853 110.666 108.800 0.021 0.000 2.529 137 G HA2 0.041 4.001 3.960 -0.000 0.000 0.277 137 G HA3 0.041 4.001 3.960 -0.000 0.000 0.277 137 G C 1.000 175.912 174.900 0.021 0.000 1.383 137 G CA -0.394 44.719 45.100 0.023 0.000 1.050 137 G HN 0.346 nan 8.290 nan 0.000 0.526 138 I N -0.825 119.757 120.570 0.020 0.000 2.202 138 I HA -0.080 4.090 4.170 -0.000 0.000 0.242 138 I C 2.613 178.738 176.117 0.014 0.000 1.091 138 I CA 0.685 61.996 61.300 0.018 0.000 1.368 138 I CB -0.482 37.529 38.000 0.017 0.000 1.058 138 I HN 0.310 nan 8.210 nan 0.000 0.410 139 L N 1.463 122.692 121.223 0.011 0.000 2.017 139 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 139 L C -0.792 176.081 176.870 0.005 0.000 1.073 139 L CA 1.779 56.623 54.840 0.007 0.000 0.745 139 L CB -1.498 40.564 42.059 0.005 0.000 0.894 139 L HN 0.198 nan 8.230 nan 0.000 0.432 140 P HA 0.088 nan 4.420 nan 0.000 0.235 140 P C -0.604 176.701 177.300 0.008 0.000 1.725 140 P CA 0.272 63.374 63.100 0.003 0.000 0.894 140 P CB -0.084 31.616 31.700 0.000 0.000 1.704 141 R N -0.141 120.366 120.500 0.012 0.000 2.888 141 R HA 0.690 5.029 4.340 -0.000 0.000 0.264 141 R C -0.213 176.099 176.300 0.019 0.000 1.045 141 R CA -0.873 55.238 56.100 0.019 0.000 0.962 141 R CB 2.568 32.882 30.300 0.024 0.000 1.210 141 R HN -0.024 nan 8.270 nan 0.000 0.479 142 R N 0.228 120.747 120.500 0.032 0.000 2.698 142 R HA 0.376 4.716 4.340 -0.000 0.000 0.275 142 R C -1.052 175.278 176.300 0.051 0.000 1.001 142 R CA -0.508 55.609 56.100 0.027 0.000 0.896 142 R CB 2.121 32.438 30.300 0.028 0.000 1.218 142 R HN 0.687 nan 8.270 nan 0.000 0.462 143 S N 1.293 117.014 115.700 0.036 0.000 2.563 143 S HA 0.044 4.514 4.470 -0.000 0.000 0.284 143 S C 0.044 174.716 174.600 0.119 0.000 1.331 143 S CA -0.494 57.738 58.200 0.054 0.000 1.047 143 S CB 0.892 64.110 63.200 0.029 0.000 0.859 143 S HN 0.359 nan 8.310 nan 0.000 0.514 144 V N 4.826 124.800 119.914 0.099 0.000 2.529 144 V HA 0.081 4.201 4.120 -0.000 0.000 0.292 144 V C 1.220 177.397 176.094 0.137 0.000 1.028 144 V CA 0.499 62.857 62.300 0.097 0.000 1.074 144 V CB -0.198 31.648 31.823 0.039 0.000 0.958 144 V HN 1.085 nan 8.190 nan 0.000 0.481 145 H N 2.210 121.264 119.070 -0.026 0.000 3.394 145 H HA 0.401 4.957 4.556 -0.000 0.000 0.256 145 H C -0.214 175.080 175.328 -0.057 0.000 1.180 145 H CA -0.482 55.546 56.048 -0.034 0.000 1.064 145 H CB 0.514 30.261 29.762 -0.025 0.000 1.854 145 H HN 0.627 nan 8.280 nan 0.000 0.731 146 E N 2.401 122.346 120.200 -0.425 0.000 2.234 146 E HA 0.388 4.738 4.350 -0.000 0.000 0.266 146 E C -2.965 173.464 176.600 -0.285 0.000 0.877 146 E CA -2.155 53.987 56.400 -0.430 0.000 0.758 146 E CB 2.751 32.116 29.700 -0.559 0.000 1.170 146 E HN 0.128 nan 8.360 nan 0.000 0.415 147 P HA 0.006 nan 4.420 nan 0.000 0.268 147 P C -0.796 176.345 177.300 -0.266 0.000 1.205 147 P CA -0.223 62.749 63.100 -0.214 0.000 0.771 147 P CB 0.601 32.183 31.700 -0.196 0.000 0.858 148 V N 4.686 124.486 119.914 -0.190 0.000 2.259 148 V HA 0.130 4.250 4.120 -0.000 0.000 0.267 148 V C 0.342 176.365 176.094 -0.119 0.000 1.051 148 V CA -0.270 61.920 62.300 -0.183 0.000 0.830 148 V CB 0.162 31.914 31.823 -0.117 0.000 1.080 148 V HN 0.493 nan 8.190 nan 0.000 0.467 149 Q N 2.163 121.882 119.800 -0.136 0.000 2.281 149 Q HA 0.103 4.443 4.340 -0.000 0.000 0.267 149 Q C 1.359 177.403 176.000 0.072 0.000 1.053 149 Q CA 0.283 56.089 55.803 0.005 0.000 0.905 149 Q CB 0.946 29.753 28.738 0.114 0.000 1.195 149 Q HN 0.898 nan 8.270 nan 0.000 0.398 150 T N -1.059 113.523 114.554 0.046 0.000 3.043 150 T HA 0.123 4.473 4.350 -0.000 0.000 0.263 150 T C 1.420 176.153 174.700 0.054 0.000 1.094 150 T CA 0.481 62.608 62.100 0.045 0.000 1.127 150 T CB 0.127 69.008 68.868 0.022 0.000 0.905 150 T HN 0.865 nan 8.240 nan 0.000 0.490 151 G N 1.296 110.133 108.800 0.061 0.000 2.199 151 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.254 151 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.254 151 G C -0.032 174.884 174.900 0.026 0.000 0.982 151 G CA 0.113 45.241 45.100 0.047 0.000 0.632 151 G HN 0.624 nan 8.290 nan 0.000 0.529 152 L N 1.070 122.305 121.223 0.021 0.000 2.278 152 L HA 0.373 4.713 4.340 -0.000 0.000 0.287 152 L C 1.797 178.679 176.870 0.020 0.000 1.072 152 L CA -0.580 54.268 54.840 0.012 0.000 0.819 152 L CB 1.032 43.094 42.059 0.005 0.000 1.176 152 L HN 0.088 nan 8.230 nan 0.000 0.435 153 K N 2.574 122.987 120.400 0.021 0.000 2.059 153 K HA -0.268 4.052 4.320 -0.000 0.000 0.212 153 K C 1.959 178.576 176.600 0.028 0.000 1.050 153 K CA 1.886 58.190 56.287 0.028 0.000 0.927 153 K CB -0.179 32.340 32.500 0.032 0.000 0.714 153 K HN 0.814 nan 8.250 nan 0.000 0.447 154 A N 0.785 123.619 122.820 0.025 0.000 1.929 154 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 154 A C 2.374 179.977 177.584 0.031 0.000 1.176 154 A CA 1.189 53.243 52.037 0.029 0.000 0.628 154 A CB -0.407 18.610 19.000 0.027 0.000 0.816 154 A HN 0.073 nan 8.150 nan 0.000 0.444 155 V N 0.579 120.508 119.914 0.025 0.000 2.255 155 V HA -0.195 3.925 4.120 -0.000 0.000 0.243 155 V C 2.157 178.264 176.094 0.023 0.000 1.038 155 V CA 2.171 64.486 62.300 0.024 0.000 1.008 155 V CB -0.842 30.992 31.823 0.019 0.000 0.645 155 V HN 0.467 nan 8.190 nan 0.000 0.449 156 D N 0.574 120.986 120.400 0.021 0.000 2.158 156 D HA -0.153 4.487 4.640 -0.000 0.000 0.197 156 D C 2.048 178.360 176.300 0.022 0.000 0.995 156 D CA 1.778 55.789 54.000 0.019 0.000 0.846 156 D CB -0.234 40.580 40.800 0.023 0.000 0.941 156 D HN 0.471 nan 8.370 nan 0.000 0.456 157 A N -0.376 122.460 122.820 0.027 0.000 1.943 157 A HA 0.096 4.416 4.320 -0.000 0.000 0.213 157 A C 2.213 179.817 177.584 0.033 0.000 1.181 157 A CA 0.469 52.524 52.037 0.030 0.000 0.653 157 A CB -0.142 18.878 19.000 0.033 0.000 0.833 157 A HN 0.185 nan 8.150 nan 0.000 0.451 158 L N -0.831 120.414 121.223 0.037 0.000 2.388 158 L HA 0.150 4.490 4.340 -0.000 0.000 0.209 158 L C 0.351 177.245 176.870 0.040 0.000 1.061 158 L CA 0.439 55.305 54.840 0.044 0.000 0.834 158 L CB 0.402 42.494 42.059 0.054 0.000 1.029 158 L HN 0.223 nan 8.230 nan 0.000 0.473 159 V N -2.519 117.416 119.914 0.035 0.000 2.384 159 V HA 0.457 4.577 4.120 -0.000 0.000 0.257 159 V C -2.810 173.296 176.094 0.021 0.000 0.969 159 V CA -1.977 60.342 62.300 0.032 0.000 0.910 159 V CB -0.043 31.803 31.823 0.039 0.000 1.150 159 V HN -0.099 nan 8.190 nan 0.000 0.481 160 P HA 0.375 nan 4.420 nan 0.000 0.268 160 P C -0.294 177.005 177.300 -0.003 0.000 1.205 160 P CA 0.394 63.495 63.100 0.003 0.000 0.771 160 P CB 0.874 32.574 31.700 -0.001 0.000 0.858 161 I N 1.525 122.086 120.570 -0.015 0.000 2.441 161 I HA 0.565 4.735 4.170 -0.000 0.000 0.295 161 I C 0.914 177.003 176.117 -0.047 0.000 0.994 161 I CA -0.407 60.880 61.300 -0.022 0.000 1.144 161 I CB 2.092 40.081 38.000 -0.018 0.000 1.314 161 I HN 0.337 nan 8.210 nan 0.000 0.445 162 G N 4.019 112.792 108.800 -0.046 0.000 2.568 162 G HA2 0.570 4.530 3.960 -0.000 0.000 0.313 162 G HA3 0.570 4.530 3.960 -0.000 0.000 0.313 162 G C -0.757 174.098 174.900 -0.076 0.000 1.227 162 G CA -0.882 44.173 45.100 -0.074 0.000 0.979 162 G HN 0.507 nan 8.290 nan 0.000 0.486 163 R N -0.162 120.267 120.500 -0.118 0.000 2.343 163 R HA 0.415 4.755 4.340 -0.000 0.000 0.326 163 R C 1.225 177.517 176.300 -0.014 0.000 1.055 163 R CA 1.484 57.532 56.100 -0.087 0.000 0.961 163 R CB 0.551 30.747 30.300 -0.173 0.000 0.978 163 R HN 1.096 nan 8.270 nan 0.000 0.443 164 G N 1.811 110.621 108.800 0.018 0.000 2.238 164 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.217 164 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.217 164 G C 0.185 175.101 174.900 0.027 0.000 0.996 164 G CA -0.108 45.013 45.100 0.036 0.000 0.632 164 G HN 0.571 nan 8.290 nan 0.000 0.503 165 Q N 0.447 120.255 119.800 0.012 0.000 2.382 165 Q HA 0.652 4.992 4.340 -0.000 0.000 0.229 165 Q C -0.041 175.969 176.000 0.017 0.000 1.006 165 Q CA -0.371 55.440 55.803 0.013 0.000 0.916 165 Q CB 0.408 29.148 28.738 0.003 0.000 1.235 165 Q HN 0.456 nan 8.270 nan 0.000 0.512 166 R N 1.822 122.334 120.500 0.019 0.000 2.476 166 R HA 0.323 4.663 4.340 -0.000 0.000 0.305 166 R C -1.468 174.842 176.300 0.016 0.000 0.965 166 R CA -0.579 55.534 56.100 0.022 0.000 0.867 166 R CB 1.732 32.046 30.300 0.024 0.000 1.176 166 R HN 0.491 nan 8.270 nan 0.000 0.447 167 E N 2.956 123.166 120.200 0.016 0.000 2.218 167 E HA 0.266 4.616 4.350 -0.000 0.000 0.263 167 E C -1.626 174.984 176.600 0.017 0.000 0.879 167 E CA -0.905 55.504 56.400 0.016 0.000 0.762 167 E CB 1.272 30.981 29.700 0.015 0.000 1.166 167 E HN 0.373 nan 8.360 nan 0.000 0.415 168 L N 5.387 126.620 121.223 0.017 0.000 2.326 168 L HA 0.545 4.885 4.340 -0.000 0.000 0.278 168 L C -1.086 175.804 176.870 0.033 0.000 1.092 168 L CA -0.081 54.767 54.840 0.013 0.000 0.810 168 L CB 0.774 42.833 42.059 -0.000 0.000 1.153 168 L HN 0.658 nan 8.230 nan 0.000 0.439 169 I N 6.836 127.423 120.570 0.028 0.000 2.328 169 I HA 0.409 4.579 4.170 -0.000 0.000 0.287 169 I C -0.324 175.822 176.117 0.048 0.000 1.012 169 I CA -0.065 61.258 61.300 0.039 0.000 1.195 169 I CB 1.128 39.140 38.000 0.021 0.000 1.350 169 I HN 0.574 nan 8.210 nan 0.000 0.464 170 I N 5.432 126.062 120.570 0.101 0.000 2.608 170 I HA 0.912 5.082 4.170 -0.000 0.000 0.295 170 I C -0.222 175.954 176.117 0.100 0.000 1.049 170 I CA -0.017 61.367 61.300 0.141 0.000 1.063 170 I CB 1.936 40.066 38.000 0.216 0.000 1.248 170 I HN 0.683 nan 8.210 nan 0.000 0.424 171 G N 4.811 113.635 108.800 0.041 0.000 2.328 171 G HA2 0.173 4.133 3.960 -0.000 0.000 0.295 171 G HA3 0.173 4.133 3.960 -0.000 0.000 0.295 171 G C -1.886 172.992 174.900 -0.036 0.000 1.413 171 G CA -0.755 44.292 45.100 -0.089 0.000 0.817 171 G HN 0.500 nan 8.290 nan 0.000 0.546 172 D N 0.179 120.542 120.400 -0.062 0.000 2.369 172 D HA 0.316 4.956 4.640 -0.000 0.000 0.241 172 D C 1.282 177.551 176.300 -0.053 0.000 1.271 172 D CA -0.051 53.930 54.000 -0.031 0.000 0.942 172 D CB 0.379 41.162 40.800 -0.028 0.000 1.129 172 D HN 0.657 nan 8.370 nan 0.000 0.476 173 R N 0.723 121.203 120.500 -0.033 0.000 2.585 173 R HA -0.005 4.335 4.340 -0.000 0.000 0.275 173 R C -0.315 175.931 176.300 -0.089 0.000 1.018 173 R CA -0.121 55.955 56.100 -0.042 0.000 1.072 173 R CB 0.111 30.402 30.300 -0.016 0.000 0.953 173 R HN 0.207 nan 8.270 nan 0.000 0.419 174 Q N 0.748 120.483 119.800 -0.108 0.000 2.459 174 Q HA -0.132 4.208 4.340 -0.000 0.000 0.314 174 Q C -0.093 175.712 176.000 -0.324 0.000 1.432 174 Q CA 1.628 57.325 55.803 -0.177 0.000 0.823 174 Q CB -1.585 27.067 28.738 -0.143 0.000 1.124 174 Q HN 1.045 nan 8.270 nan 0.000 0.392 175 T N -5.363 109.018 114.554 -0.289 0.000 3.058 175 T HA 0.471 4.821 4.350 -0.000 0.000 0.278 175 T C 1.030 175.571 174.700 -0.264 0.000 0.974 175 T CA 0.751 62.636 62.100 -0.359 0.000 0.893 175 T CB 1.229 69.952 68.868 -0.242 0.000 1.138 175 T HN 0.930 nan 8.240 nan 0.000 0.529 176 G N 1.678 110.365 108.800 -0.188 0.000 2.145 176 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.145 176 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.145 176 G C 0.613 175.477 174.900 -0.059 0.000 1.017 176 G CA 0.145 45.189 45.100 -0.094 0.000 0.682 176 G HN 0.459 nan 8.290 nan 0.000 0.504 177 K N -0.206 120.159 120.400 -0.058 0.000 1.984 177 K HA -0.032 4.288 4.320 -0.000 0.000 0.209 177 K C 2.622 179.221 176.600 -0.001 0.000 1.046 177 K CA 1.863 58.134 56.287 -0.026 0.000 0.934 177 K CB -0.402 32.086 32.500 -0.021 0.000 0.717 177 K HN 0.273 nan 8.250 nan 0.000 0.438 178 T N 1.596 116.159 114.554 0.016 0.000 2.699 178 T HA -0.235 4.114 4.350 -0.000 0.000 0.268 178 T C 2.034 176.740 174.700 0.010 0.000 1.036 178 T CA 1.569 63.701 62.100 0.054 0.000 1.147 178 T CB -0.465 68.442 68.868 0.066 0.000 0.862 178 T HN 0.363 nan 8.240 nan 0.000 0.446 179 A N 0.975 123.772 122.820 -0.039 0.000 1.927 179 A HA -0.130 4.190 4.320 -0.000 0.000 0.220 179 A C 2.621 180.157 177.584 -0.080 0.000 1.185 179 A CA 1.846 53.823 52.037 -0.100 0.000 0.639 179 A CB -1.163 17.760 19.000 -0.128 0.000 0.820 179 A HN 0.392 nan 8.150 nan 0.000 0.451 180 V N -0.563 119.327 119.914 -0.040 0.000 2.427 180 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 180 V C 2.992 179.083 176.094 -0.005 0.000 1.051 180 V CA 1.918 64.204 62.300 -0.023 0.000 1.048 180 V CB -1.118 30.700 31.823 -0.009 0.000 0.666 180 V HN 0.651 nan 8.190 nan 0.000 0.456 181 A N -0.299 122.532 122.820 0.017 0.000 1.872 181 A HA -0.126 4.194 4.320 -0.000 0.000 0.214 181 A C 2.130 179.736 177.584 0.037 0.000 1.187 181 A CA 1.731 53.795 52.037 0.045 0.000 0.614 181 A CB -0.582 18.478 19.000 0.100 0.000 0.826 181 A HN 0.411 nan 8.150 nan 0.000 0.442 182 L N 0.413 121.643 121.223 0.012 0.000 2.012 182 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 182 L C 1.719 178.572 176.870 -0.029 0.000 1.073 182 L CA 2.530 57.354 54.840 -0.026 0.000 0.748 182 L CB -0.702 41.326 42.059 -0.052 0.000 0.891 182 L HN 0.379 nan 8.230 nan 0.000 0.431 183 D N -1.286 119.081 120.400 -0.054 0.000 2.182 183 D HA -0.170 4.470 4.640 -0.000 0.000 0.201 183 D C 1.993 178.292 176.300 -0.001 0.000 0.986 183 D CA 1.806 55.778 54.000 -0.048 0.000 0.847 183 D CB -0.106 40.649 40.800 -0.074 0.000 0.942 183 D HN 0.427 nan 8.370 nan 0.000 0.467 184 T N 1.089 115.651 114.554 0.014 0.000 2.777 184 T HA -0.057 4.293 4.350 -0.000 0.000 0.266 184 T C 2.271 177.012 174.700 0.068 0.000 1.040 184 T CA 0.465 62.588 62.100 0.038 0.000 1.141 184 T CB -0.085 68.801 68.868 0.030 0.000 0.868 184 T HN 0.158 nan 8.240 nan 0.000 0.444 185 I N 0.897 121.511 120.570 0.072 0.000 2.179 185 I HA -0.147 4.023 4.170 -0.000 0.000 0.242 185 I C 2.300 178.527 176.117 0.183 0.000 1.088 185 I CA 1.213 62.592 61.300 0.132 0.000 1.357 185 I CB -0.458 37.596 38.000 0.089 0.000 1.051 185 I HN 0.190 nan 8.210 nan 0.000 0.409 186 L N 0.377 121.653 121.223 0.087 0.000 2.042 186 L HA -0.260 4.080 4.340 -0.000 0.000 0.210 186 L C 2.214 179.145 176.870 0.102 0.000 1.076 186 L CA 1.639 56.526 54.840 0.077 0.000 0.749 186 L CB -0.862 41.165 42.059 -0.054 0.000 0.893 186 L HN 0.347 nan 8.230 nan 0.000 0.432 187 N N -0.428 118.315 118.700 0.072 0.000 2.443 187 N HA -0.173 4.567 4.740 -0.000 0.000 0.184 187 N C 1.721 177.261 175.510 0.049 0.000 1.037 187 N CA 0.684 53.763 53.050 0.048 0.000 0.896 187 N CB 0.138 38.671 38.487 0.077 0.000 0.959 187 N HN 0.242 nan 8.380 nan 0.000 0.442 188 Q N 0.126 119.980 119.800 0.090 0.000 2.472 188 Q HA 0.021 4.361 4.340 -0.000 0.000 0.208 188 Q C 1.413 177.298 176.000 -0.191 0.000 0.958 188 Q CA 0.303 56.136 55.803 0.051 0.000 0.932 188 Q CB 0.024 28.702 28.738 -0.100 0.000 1.007 188 Q HN 0.438 nan 8.270 nan 0.000 0.508 189 K N 0.997 121.318 120.400 -0.131 0.000 2.107 189 K HA -0.202 4.118 4.320 -0.000 0.000 0.211 189 K C 1.884 178.325 176.600 -0.265 0.000 1.049 189 K CA 1.532 57.750 56.287 -0.114 0.000 0.927 189 K CB -0.022 32.480 32.500 0.002 0.000 0.714 189 K HN 0.237 nan 8.250 nan 0.000 0.452 190 R N -0.865 119.345 120.500 -0.483 0.000 2.159 190 R HA -0.153 4.187 4.340 -0.000 0.000 0.237 190 R C 1.783 177.579 176.300 -0.839 0.000 1.131 190 R CA 1.380 56.994 56.100 -0.811 0.000 0.982 190 R CB -0.103 29.355 30.300 -1.404 0.000 0.868 190 R HN 0.441 nan 8.270 nan 0.000 0.453 191 W N -0.349 120.847 121.300 -0.172 0.000 2.968 191 W HA 0.216 4.876 4.660 -0.000 0.000 0.253 191 W C 1.091 177.483 176.519 -0.211 0.000 1.150 191 W CA -0.592 56.648 57.345 -0.174 0.000 1.463 191 W CB -0.335 29.016 29.460 -0.183 0.000 0.906 191 W HN 0.035 nan 8.180 nan 0.000 0.650 192 N N 1.258 119.887 118.700 -0.118 0.000 2.520 192 N HA -0.112 4.628 4.740 -0.000 0.000 0.185 192 N C 0.977 176.421 175.510 -0.110 0.000 1.068 192 N CA 0.889 53.790 53.050 -0.248 0.000 0.911 192 N CB -0.470 37.638 38.487 -0.631 0.000 0.961 192 N HN 0.196 nan 8.380 nan 0.000 0.446 193 N N -0.036 118.615 118.700 -0.082 0.000 2.373 193 N HA 0.036 4.776 4.740 -0.000 0.000 0.181 193 N C 1.094 176.593 175.510 -0.019 0.000 1.082 193 N CA 0.133 53.163 53.050 -0.032 0.000 0.885 193 N CB 0.303 38.766 38.487 -0.040 0.000 0.977 193 N HN 0.135 nan 8.380 nan 0.000 0.462 194 G N 0.311 109.100 108.800 -0.018 0.000 2.588 194 G HA2 0.203 4.163 3.960 -0.000 0.000 0.278 194 G HA3 0.203 4.163 3.960 -0.000 0.000 0.278 194 G C 0.574 175.492 174.900 0.030 0.000 1.307 194 G CA -0.191 44.914 45.100 0.008 0.000 1.016 194 G HN 0.205 nan 8.290 nan 0.000 0.503 195 S N -1.440 114.283 115.700 0.038 0.000 2.574 195 S HA 0.156 4.626 4.470 -0.000 0.000 0.242 195 S C -0.084 174.552 174.600 0.059 0.000 0.982 195 S CA -0.272 57.958 58.200 0.051 0.000 0.977 195 S CB 0.401 63.626 63.200 0.043 0.000 0.814 195 S HN 0.426 nan 8.310 nan 0.000 0.464 196 D N 1.948 122.384 120.400 0.061 0.000 2.443 196 D HA 0.249 4.889 4.640 -0.000 0.000 0.221 196 D C 0.774 177.117 176.300 0.071 0.000 1.097 196 D CA -0.226 53.811 54.000 0.062 0.000 0.865 196 D CB 1.101 41.935 40.800 0.057 0.000 1.034 196 D HN 0.033 nan 8.370 nan 0.000 0.511 197 E N 1.371 121.627 120.200 0.094 0.000 2.106 197 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 197 E C 1.813 178.498 176.600 0.142 0.000 0.984 197 E CA 0.743 57.226 56.400 0.138 0.000 0.806 197 E CB -0.066 29.732 29.700 0.163 0.000 0.750 197 E HN 0.578 nan 8.360 nan 0.000 0.458 198 S N 0.653 116.418 115.700 0.109 0.000 2.442 198 S HA -0.088 4.382 4.470 -0.000 0.000 0.236 198 S C 1.659 176.270 174.600 0.018 0.000 1.007 198 S CA 0.884 59.160 58.200 0.127 0.000 0.965 198 S CB -0.081 63.167 63.200 0.079 0.000 0.773 198 S HN 0.138 nan 8.310 nan 0.000 0.504 199 K N 0.625 121.000 120.400 -0.042 0.000 2.393 199 K HA 0.233 4.553 4.320 -0.000 0.000 0.193 199 K C 0.424 176.895 176.600 -0.215 0.000 1.026 199 K CA 0.052 56.222 56.287 -0.195 0.000 1.064 199 K CB 0.250 32.665 32.500 -0.141 0.000 0.833 199 K HN 0.366 nan 8.250 nan 0.000 0.521 200 K N 1.026 121.368 120.400 -0.095 0.000 2.120 200 K HA 0.252 4.572 4.320 -0.000 0.000 0.245 200 K C -0.689 175.765 176.600 -0.244 0.000 1.024 200 K CA -0.461 55.712 56.287 -0.189 0.000 0.906 200 K CB 0.645 32.983 32.500 -0.270 0.000 1.051 200 K HN -0.173 nan 8.250 nan 0.000 0.491 201 L N 2.554 123.539 121.223 -0.396 0.000 2.568 201 L HA 0.269 4.609 4.340 -0.000 0.000 0.262 201 L C -1.721 174.923 176.870 -0.377 0.000 0.980 201 L CA -0.296 54.377 54.840 -0.278 0.000 0.882 201 L CB 0.563 42.505 42.059 -0.195 0.000 1.198 201 L HN 0.444 nan 8.230 nan 0.000 0.425 202 Y N 2.721 122.910 120.300 -0.185 0.000 2.346 202 Y HA 0.409 4.959 4.550 -0.000 0.000 0.330 202 Y C 0.658 176.452 175.900 -0.176 0.000 1.178 202 Y CA 0.041 57.980 58.100 -0.268 0.000 1.331 202 Y CB 0.724 38.697 38.460 -0.811 0.000 1.253 202 Y HN 0.488 nan 8.280 nan 0.000 0.529 203 C N 3.073 122.445 119.300 0.120 0.000 2.382 203 C HA 0.723 5.183 4.460 -0.000 0.000 0.327 203 C C -0.359 174.672 174.990 0.069 0.000 1.250 203 C CA -1.143 57.932 59.018 0.095 0.000 1.707 203 C CB 0.581 28.421 27.740 0.167 0.000 2.272 203 C HN 0.559 nan 8.230 nan 0.000 0.506 204 V N 3.134 123.071 119.914 0.040 0.000 2.444 204 V HA 0.345 4.465 4.120 -0.000 0.000 0.294 204 V C -1.035 175.075 176.094 0.028 0.000 1.022 204 V CA -0.563 61.761 62.300 0.041 0.000 0.850 204 V CB 1.285 33.118 31.823 0.018 0.000 0.992 204 V HN 0.813 nan 8.190 nan 0.000 0.426 205 Y N 4.983 125.247 120.300 -0.060 0.000 2.328 205 Y HA 0.683 5.233 4.550 -0.000 0.000 0.337 205 Y C -0.412 175.453 175.900 -0.057 0.000 0.966 205 Y CA -0.673 57.384 58.100 -0.072 0.000 1.136 205 Y CB 1.699 40.133 38.460 -0.044 0.000 1.170 205 Y HN 0.435 nan 8.280 nan 0.000 0.470 206 V N 5.906 125.501 119.914 -0.532 0.000 2.370 206 V HA 0.702 4.822 4.120 -0.000 0.000 0.279 206 V C -0.104 175.724 176.094 -0.444 0.000 1.029 206 V CA -0.681 61.418 62.300 -0.335 0.000 0.870 206 V CB 0.919 32.644 31.823 -0.163 0.000 0.984 206 V HN 0.914 nan 8.190 nan 0.000 0.451 207 A N 5.204 127.922 122.820 -0.169 0.000 2.277 207 A HA 0.766 5.086 4.320 -0.000 0.000 0.318 207 A C -0.590 176.991 177.584 -0.006 0.000 1.339 207 A CA -0.449 51.555 52.037 -0.056 0.000 0.875 207 A CB 0.793 19.877 19.000 0.140 0.000 1.158 207 A HN 0.703 nan 8.150 nan 0.000 0.514 208 V N 2.304 122.210 119.914 -0.014 0.000 2.378 208 V HA 0.650 4.770 4.120 -0.000 0.000 0.288 208 V C 1.215 177.333 176.094 0.040 0.000 1.016 208 V CA 0.462 62.774 62.300 0.020 0.000 0.840 208 V CB 0.616 32.446 31.823 0.011 0.000 0.994 208 V HN 1.779 nan 8.190 nan 0.000 0.431 209 G N 3.738 112.571 108.800 0.056 0.000 2.179 209 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.260 209 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.260 209 G C 0.256 175.190 174.900 0.056 0.000 0.977 209 G CA 0.386 45.522 45.100 0.060 0.000 0.641 209 G HN 0.652 nan 8.290 nan 0.000 0.533 210 Q N 0.438 120.273 119.800 0.058 0.000 2.443 210 Q HA 0.415 4.755 4.340 -0.000 0.000 0.232 210 Q C 0.828 176.863 176.000 0.058 0.000 1.026 210 Q CA 0.339 56.179 55.803 0.063 0.000 0.924 210 Q CB 0.512 29.301 28.738 0.084 0.000 1.256 210 Q HN 0.638 nan 8.270 nan 0.000 0.519 211 K N 0.592 121.024 120.400 0.052 0.000 2.144 211 K HA 0.213 4.533 4.320 -0.000 0.000 0.270 211 K C 0.312 176.940 176.600 0.046 0.000 1.005 211 K CA -0.485 55.829 56.287 0.045 0.000 0.932 211 K CB 1.071 33.594 32.500 0.037 0.000 1.021 211 K HN 0.454 nan 8.250 nan 0.000 0.462 212 R N 0.679 121.203 120.500 0.040 0.000 2.105 212 R HA -0.170 4.170 4.340 -0.000 0.000 0.239 212 R C 2.376 178.694 176.300 0.031 0.000 1.135 212 R CA 2.209 58.331 56.100 0.037 0.000 0.967 212 R CB -0.353 29.966 30.300 0.031 0.000 0.861 212 R HN 0.952 nan 8.270 nan 0.000 0.442 213 S N -0.436 115.280 115.700 0.027 0.000 2.399 213 S HA -0.138 4.332 4.470 -0.000 0.000 0.231 213 S C 1.893 176.506 174.600 0.022 0.000 1.022 213 S CA 1.754 59.966 58.200 0.021 0.000 0.983 213 S CB -0.351 62.861 63.200 0.019 0.000 0.803 213 S HN 0.201 nan 8.310 nan 0.000 0.480 214 T N 1.921 116.493 114.554 0.031 0.000 2.812 214 T HA 0.050 4.400 4.350 -0.000 0.000 0.264 214 T C 1.878 176.596 174.700 0.030 0.000 1.042 214 T CA 1.327 63.447 62.100 0.033 0.000 1.140 214 T CB -0.423 68.472 68.868 0.046 0.000 0.870 214 T HN 0.319 nan 8.240 nan 0.000 0.445 215 V N 1.754 121.695 119.914 0.044 0.000 2.358 215 V HA -0.091 4.029 4.120 -0.000 0.000 0.246 215 V C 2.893 178.990 176.094 0.006 0.000 1.047 215 V CA 1.489 63.815 62.300 0.043 0.000 1.035 215 V CB -1.199 30.672 31.823 0.080 0.000 0.658 215 V HN 0.490 nan 8.190 nan 0.000 0.452 216 A N -0.062 122.764 122.820 0.010 0.000 1.940 216 A HA -0.317 4.003 4.320 -0.000 0.000 0.219 216 A C 2.196 179.773 177.584 -0.013 0.000 1.176 216 A CA 2.296 54.332 52.037 -0.002 0.000 0.631 216 A CB -0.517 18.485 19.000 0.004 0.000 0.814 216 A HN 0.556 nan 8.150 nan 0.000 0.446 217 Q N -0.514 119.281 119.800 -0.009 0.000 2.172 217 Q HA -0.019 4.321 4.340 -0.000 0.000 0.200 217 Q C 1.814 177.797 176.000 -0.028 0.000 0.964 217 Q CA 1.599 57.395 55.803 -0.012 0.000 0.855 217 Q CB -0.431 28.309 28.738 0.003 0.000 0.918 217 Q HN 0.627 nan 8.270 nan 0.000 0.444 218 L N -0.988 120.206 121.223 -0.049 0.000 2.109 218 L HA -0.027 4.313 4.340 -0.000 0.000 0.207 218 L C 1.842 178.643 176.870 -0.115 0.000 1.086 218 L CA 0.780 55.559 54.840 -0.102 0.000 0.760 218 L CB -0.093 41.849 42.059 -0.196 0.000 0.910 218 L HN 0.104 nan 8.230 nan 0.000 0.437 219 V N -0.233 119.627 119.914 -0.091 0.000 2.453 219 V HA -0.271 3.849 4.120 -0.000 0.000 0.247 219 V C 2.464 178.521 176.094 -0.062 0.000 1.048 219 V CA 1.936 64.188 62.300 -0.080 0.000 1.049 219 V CB -0.494 31.299 31.823 -0.050 0.000 0.672 219 V HN 0.585 nan 8.190 nan 0.000 0.457 220 Q N -0.335 119.436 119.800 -0.048 0.000 2.124 220 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 220 Q C 2.237 178.213 176.000 -0.040 0.000 0.977 220 Q CA 2.084 57.862 55.803 -0.042 0.000 0.850 220 Q CB -0.086 28.631 28.738 -0.036 0.000 0.901 220 Q HN 0.641 nan 8.270 nan 0.000 0.429 221 T N 1.315 115.849 114.554 -0.033 0.000 2.777 221 T HA -0.080 4.270 4.350 -0.000 0.000 0.266 221 T C 1.827 176.558 174.700 0.053 0.000 1.040 221 T CA 0.952 63.054 62.100 0.004 0.000 1.141 221 T CB -0.133 68.733 68.868 -0.003 0.000 0.868 221 T HN 0.245 nan 8.240 nan 0.000 0.444 222 L N 0.512 121.719 121.223 -0.026 0.000 2.083 222 L HA -0.102 4.238 4.340 -0.000 0.000 0.209 222 L C 2.685 179.527 176.870 -0.047 0.000 1.083 222 L CA 1.374 56.181 54.840 -0.055 0.000 0.752 222 L CB -0.479 41.502 42.059 -0.131 0.000 0.899 222 L HN 0.303 nan 8.230 nan 0.000 0.433 223 E N -0.115 120.054 120.200 -0.052 0.000 2.047 223 E HA -0.241 4.109 4.350 -0.000 0.000 0.191 223 E C 2.238 178.803 176.600 -0.058 0.000 0.987 223 E CA 1.112 57.478 56.400 -0.056 0.000 0.799 223 E CB 0.014 29.682 29.700 -0.053 0.000 0.752 223 E HN 0.496 nan 8.360 nan 0.000 0.449 224 Q N -0.488 119.270 119.800 -0.071 0.000 2.291 224 Q HA -0.126 4.214 4.340 -0.000 0.000 0.206 224 Q C 1.263 177.109 176.000 -0.257 0.000 0.976 224 Q CA 0.823 56.532 55.803 -0.156 0.000 0.875 224 Q CB 0.055 28.675 28.738 -0.197 0.000 0.927 224 Q HN 0.434 nan 8.270 nan 0.000 0.450 225 H N -0.249 118.772 119.070 -0.081 0.000 2.529 225 H HA 0.024 4.580 4.556 -0.000 0.000 0.277 225 H C -0.078 175.225 175.328 -0.041 0.000 1.004 225 H CA 0.200 56.214 56.048 -0.056 0.000 1.167 225 H CB 0.506 30.244 29.762 -0.040 0.000 1.445 225 H HN 0.202 nan 8.280 nan 0.000 0.554 226 D N 0.508 120.912 120.400 0.008 0.000 2.751 226 D HA -0.191 4.449 4.640 -0.000 0.000 0.233 226 D C 1.012 177.294 176.300 -0.030 0.000 1.149 226 D CA 0.684 54.680 54.000 -0.006 0.000 0.682 226 D CB -0.987 39.824 40.800 0.018 0.000 1.068 226 D HN 0.532 nan 8.370 nan 0.000 0.429 227 A N -0.829 121.908 122.820 -0.140 0.000 2.252 227 A HA 0.173 4.493 4.320 -0.000 0.000 0.213 227 A C 1.855 178.995 177.584 -0.740 0.000 1.188 227 A CA 0.780 52.499 52.037 -0.530 0.000 0.863 227 A CB -0.026 18.790 19.000 -0.307 0.000 0.893 227 A HN 0.287 nan 8.150 nan 0.000 0.495 228 M N 1.220 120.612 119.600 -0.345 0.000 2.374 228 M HA -0.092 4.388 4.480 -0.000 0.000 0.264 228 M C 1.890 178.065 176.300 -0.208 0.000 1.067 228 M CA 1.761 56.914 55.300 -0.246 0.000 1.103 228 M CB -0.482 32.041 32.600 -0.128 0.000 1.402 228 M HN 0.488 nan 8.290 nan 0.000 0.444 229 K N -0.401 119.886 120.400 -0.188 0.000 2.365 229 K HA -0.147 4.173 4.320 -0.000 0.000 0.199 229 K C 0.328 176.988 176.600 0.101 0.000 1.045 229 K CA 1.353 57.630 56.287 -0.017 0.000 0.962 229 K CB -0.526 32.007 32.500 0.055 0.000 0.759 229 K HN 0.601 nan 8.250 nan 0.000 0.469 230 Y N -0.945 119.401 120.300 0.076 0.000 2.706 230 Y HA 0.514 5.064 4.550 -0.000 0.000 0.255 230 Y C -0.455 175.501 175.900 0.094 0.000 1.163 230 Y CA -1.136 57.036 58.100 0.121 0.000 1.174 230 Y CB 0.279 38.757 38.460 0.029 0.000 1.200 230 Y HN -0.137 nan 8.280 nan 0.000 0.544 231 S N 1.237 116.915 115.700 -0.037 0.000 2.568 231 S HA 0.732 5.202 4.470 -0.000 0.000 0.302 231 S C -0.741 173.885 174.600 0.042 0.000 1.082 231 S CA -0.638 57.559 58.200 -0.006 0.000 1.009 231 S CB 1.806 64.932 63.200 -0.124 0.000 1.069 231 S HN 0.271 nan 8.310 nan 0.000 0.500 232 I N 2.635 123.249 120.570 0.073 0.000 2.418 232 I HA 0.391 4.561 4.170 -0.000 0.000 0.287 232 I C -0.982 175.186 176.117 0.085 0.000 1.008 232 I CA -0.559 60.789 61.300 0.080 0.000 1.104 232 I CB 1.345 39.414 38.000 0.115 0.000 1.264 232 I HN 0.367 nan 8.210 nan 0.000 0.438 233 I N 7.128 127.743 120.570 0.075 0.000 2.321 233 I HA 0.335 4.505 4.170 -0.000 0.000 0.291 233 I C -0.117 176.049 176.117 0.083 0.000 0.998 233 I CA -0.676 60.690 61.300 0.111 0.000 1.227 233 I CB 1.436 39.492 38.000 0.094 0.000 1.368 233 I HN 0.151 nan 8.210 nan 0.000 0.466 234 V N 6.008 125.968 119.914 0.076 0.000 2.347 234 V HA 0.691 4.811 4.120 -0.000 0.000 0.280 234 V C 0.350 176.473 176.094 0.048 0.000 1.021 234 V CA -0.543 61.785 62.300 0.046 0.000 0.847 234 V CB 1.478 33.318 31.823 0.028 0.000 0.990 234 V HN 0.868 nan 8.190 nan 0.000 0.444 235 A N 4.324 127.174 122.820 0.050 0.000 2.330 235 A HA 0.909 5.229 4.320 -0.000 0.000 0.313 235 A C -0.124 177.491 177.584 0.052 0.000 1.124 235 A CA -0.347 51.725 52.037 0.058 0.000 0.774 235 A CB 1.527 20.569 19.000 0.071 0.000 1.198 235 A HN 1.311 nan 8.150 nan 0.000 0.465 236 A N 2.853 125.706 122.820 0.054 0.000 2.646 236 A HA 0.646 4.966 4.320 -0.000 0.000 0.312 236 A C 0.281 177.905 177.584 0.067 0.000 1.245 236 A CA 0.038 52.114 52.037 0.065 0.000 0.755 236 A CB -0.149 18.898 19.000 0.078 0.000 1.132 236 A HN 1.279 nan 8.150 nan 0.000 0.458 237 T N -1.163 113.429 114.554 0.064 0.000 2.824 237 T HA 0.576 4.926 4.350 -0.000 0.000 0.277 237 T C 1.622 176.357 174.700 0.059 0.000 0.975 237 T CA 0.026 62.162 62.100 0.060 0.000 0.966 237 T CB 1.246 70.147 68.868 0.055 0.000 1.054 237 T HN 1.233 nan 8.240 nan 0.000 0.533 238 A N 1.051 123.903 122.820 0.054 0.000 2.009 238 A HA -0.169 4.151 4.320 -0.000 0.000 0.222 238 A C 2.475 180.088 177.584 0.047 0.000 1.175 238 A CA 2.630 54.697 52.037 0.050 0.000 0.651 238 A CB -1.504 17.523 19.000 0.044 0.000 0.815 238 A HN 1.179 nan 8.150 nan 0.000 0.459 239 S N -0.883 114.844 115.700 0.045 0.000 2.503 239 S HA 0.120 4.590 4.470 -0.000 0.000 0.217 239 S C 0.522 175.150 174.600 0.046 0.000 0.999 239 S CA -0.113 58.111 58.200 0.039 0.000 0.914 239 S CB -0.128 63.092 63.200 0.033 0.000 0.782 239 S HN 0.628 nan 8.310 nan 0.000 0.520 240 E N 1.632 121.866 120.200 0.057 0.000 2.404 240 E HA 0.476 4.826 4.350 -0.000 0.000 0.261 240 E C 0.119 176.767 176.600 0.080 0.000 1.074 240 E CA -0.128 56.314 56.400 0.071 0.000 0.917 240 E CB 0.640 30.389 29.700 0.082 0.000 0.965 240 E HN 0.490 nan 8.360 nan 0.000 0.433 241 A N 1.573 124.448 122.820 0.090 0.000 2.445 241 A HA 0.265 4.585 4.320 -0.000 0.000 0.242 241 A C 1.235 178.885 177.584 0.110 0.000 1.075 241 A CA 0.536 52.621 52.037 0.080 0.000 0.777 241 A CB 0.485 19.526 19.000 0.069 0.000 1.013 241 A HN 0.787 nan 8.150 nan 0.000 0.493 242 A N 2.928 125.798 122.820 0.083 0.000 1.917 242 A HA -0.082 4.238 4.320 -0.000 0.000 0.219 242 A C -0.166 177.526 177.584 0.181 0.000 1.182 242 A CA 2.198 54.303 52.037 0.114 0.000 0.633 242 A CB -1.733 17.309 19.000 0.071 0.000 0.819 242 A HN 0.642 nan 8.150 nan 0.000 0.448 243 P HA -0.153 nan 4.420 nan 0.000 0.215 243 P C 1.442 179.027 177.300 0.475 0.000 1.153 243 P CA 0.946 64.184 63.100 0.231 0.000 0.853 243 P CB -0.158 31.500 31.700 -0.071 0.000 0.788 244 L N -0.972 120.507 121.223 0.427 0.000 2.012 244 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 244 L C 2.648 179.665 176.870 0.245 0.000 1.073 244 L CA 1.705 56.752 54.840 0.345 0.000 0.748 244 L CB -1.080 41.131 42.059 0.252 0.000 0.891 244 L HN 0.027 nan 8.230 nan 0.000 0.431 245 Q N -1.110 118.822 119.800 0.220 0.000 2.084 245 Q HA -0.266 4.074 4.340 -0.000 0.000 0.202 245 Q C 2.153 178.274 176.000 0.201 0.000 0.978 245 Q CA 2.025 57.933 55.803 0.174 0.000 0.844 245 Q CB -0.409 28.419 28.738 0.151 0.000 0.898 245 Q HN 0.506 nan 8.270 nan 0.000 0.426 246 Y N 1.020 121.417 120.300 0.163 0.000 2.151 246 Y HA -0.266 4.284 4.550 -0.000 0.000 0.284 246 Y C 1.905 177.946 175.900 0.235 0.000 1.166 246 Y CA 1.378 59.593 58.100 0.193 0.000 1.163 246 Y CB -0.174 38.432 38.460 0.243 0.000 0.974 246 Y HN 0.087 nan 8.280 nan 0.000 0.511 247 L N 0.305 121.649 121.223 0.202 0.000 2.240 247 L HA 0.114 4.454 4.340 -0.000 0.000 0.211 247 L C 2.504 179.415 176.870 0.069 0.000 1.106 247 L CA 1.474 56.403 54.840 0.149 0.000 0.793 247 L CB -0.975 41.268 42.059 0.306 0.000 0.927 247 L HN 0.322 nan 8.230 nan 0.000 0.446 248 A N 0.545 123.388 122.820 0.037 0.000 1.883 248 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 248 A C -0.116 177.452 177.584 -0.025 0.000 1.186 248 A CA 1.976 54.021 52.037 0.015 0.000 0.624 248 A CB -1.964 17.051 19.000 0.025 0.000 0.822 248 A HN 0.387 nan 8.150 nan 0.000 0.444 249 P HA -0.092 nan 4.420 nan 0.000 0.218 249 P C 0.957 178.140 177.300 -0.196 0.000 1.149 249 P CA 0.913 63.920 63.100 -0.155 0.000 0.817 249 P CB -0.153 31.211 31.700 -0.559 0.000 0.785 250 F N 0.192 120.070 119.950 -0.119 0.000 2.098 250 F HA -0.147 4.380 4.527 -0.000 0.000 0.294 250 F C 2.545 178.324 175.800 -0.035 0.000 1.107 250 F CA 1.978 59.907 58.000 -0.118 0.000 1.234 250 F CB -2.086 36.788 39.000 -0.209 0.000 1.002 250 F HN -0.048 nan 8.300 nan 0.000 0.472 251 T N -1.535 113.109 114.554 0.149 0.000 2.788 251 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 251 T C 2.140 176.888 174.700 0.078 0.000 1.044 251 T CA 1.064 63.216 62.100 0.087 0.000 1.139 251 T CB -0.975 67.919 68.868 0.044 0.000 0.867 251 T HN 0.202 nan 8.240 nan 0.000 0.454 252 A N 1.931 124.796 122.820 0.075 0.000 1.933 252 A HA 0.289 4.609 4.320 -0.000 0.000 0.218 252 A C 2.828 180.476 177.584 0.105 0.000 1.175 252 A CA 1.883 53.965 52.037 0.075 0.000 0.628 252 A CB -1.374 17.655 19.000 0.047 0.000 0.814 252 A HN 0.781 nan 8.150 nan 0.000 0.444 253 A N -0.655 122.253 122.820 0.146 0.000 1.933 253 A HA -0.058 4.262 4.320 -0.000 0.000 0.218 253 A C 2.415 180.081 177.584 0.136 0.000 1.175 253 A CA 2.009 54.142 52.037 0.160 0.000 0.628 253 A CB -0.743 18.359 19.000 0.170 0.000 0.814 253 A HN 0.448 nan 8.150 nan 0.000 0.444 254 S N -0.357 115.415 115.700 0.120 0.000 2.402 254 S HA -0.046 4.424 4.470 -0.000 0.000 0.229 254 S C 1.755 176.428 174.600 0.121 0.000 1.021 254 S CA 1.232 59.495 58.200 0.106 0.000 0.974 254 S CB -0.418 62.831 63.200 0.082 0.000 0.800 254 S HN 0.547 nan 8.310 nan 0.000 0.484 255 I N 1.459 122.100 120.570 0.119 0.000 2.202 255 I HA -0.126 4.044 4.170 -0.000 0.000 0.242 255 I C 2.680 178.955 176.117 0.264 0.000 1.091 255 I CA 1.186 62.569 61.300 0.139 0.000 1.368 255 I CB -0.735 37.335 38.000 0.117 0.000 1.058 255 I HN 0.362 nan 8.210 nan 0.000 0.410 256 G N 0.008 108.959 108.800 0.253 0.000 2.422 256 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.218 256 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.218 256 G C 1.533 176.621 174.900 0.314 0.000 1.146 256 G CA 0.545 45.839 45.100 0.323 0.000 0.769 256 G HN 0.398 nan 8.290 nan 0.000 0.547 257 E N -0.847 119.474 120.200 0.201 0.000 2.204 257 E HA -0.121 4.229 4.350 -0.000 0.000 0.194 257 E C 1.920 178.577 176.600 0.094 0.000 0.989 257 E CA 0.411 56.889 56.400 0.130 0.000 0.824 257 E CB -0.179 29.577 29.700 0.094 0.000 0.756 257 E HN 0.670 nan 8.360 nan 0.000 0.477 258 W N 0.508 121.763 121.300 -0.074 0.000 2.335 258 W HA -0.243 4.417 4.660 -0.000 0.000 0.311 258 W C 1.468 177.830 176.519 -0.261 0.000 1.213 258 W CA 1.594 58.804 57.345 -0.224 0.000 1.274 258 W CB -0.343 28.881 29.460 -0.394 0.000 1.148 258 W HN -0.006 nan 8.180 nan 0.000 0.498 259 F N 0.307 120.353 119.950 0.159 0.000 2.069 259 F HA -0.181 4.346 4.527 -0.000 0.000 0.298 259 F C 2.775 178.450 175.800 -0.208 0.000 1.113 259 F CA 2.301 60.285 58.000 -0.027 0.000 1.214 259 F CB -1.405 37.672 39.000 0.127 0.000 0.978 259 F HN -0.194 nan 8.300 nan 0.000 0.474 260 R N 0.658 121.194 120.500 0.059 0.000 2.096 260 R HA -0.191 4.149 4.340 -0.000 0.000 0.240 260 R C 1.580 177.789 176.300 -0.152 0.000 1.139 260 R CA 2.174 58.249 56.100 -0.042 0.000 0.952 260 R CB -0.520 29.790 30.300 0.017 0.000 0.854 260 R HN 0.224 nan 8.270 nan 0.000 0.436 261 D N -0.121 120.154 120.400 -0.208 0.000 2.348 261 D HA -0.065 4.575 4.640 -0.000 0.000 0.216 261 D C 0.454 176.547 176.300 -0.344 0.000 0.970 261 D CA 0.723 54.578 54.000 -0.241 0.000 0.889 261 D CB -0.075 40.592 40.800 -0.221 0.000 0.912 261 D HN 0.286 nan 8.370 nan 0.000 0.524 262 N N -0.145 118.252 118.700 -0.505 0.000 2.275 262 N HA 0.158 4.898 4.740 -0.000 0.000 0.236 262 N C 0.781 176.083 175.510 -0.348 0.000 1.154 262 N CA 0.136 52.862 53.050 -0.540 0.000 0.866 262 N CB 1.547 39.416 38.487 -1.030 0.000 1.093 262 N HN 0.085 nan 8.380 nan 0.000 0.515 263 G N 1.227 109.869 108.800 -0.264 0.000 2.147 263 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.244 263 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.244 263 G C 0.077 174.839 174.900 -0.230 0.000 1.005 263 G CA 0.423 45.400 45.100 -0.205 0.000 0.713 263 G HN 0.325 nan 8.290 nan 0.000 0.515 264 K N -0.818 119.431 120.400 -0.251 0.000 2.279 264 K HA 0.790 5.110 4.320 -0.000 0.000 0.238 264 K C -0.389 176.001 176.600 -0.350 0.000 1.084 264 K CA -1.055 55.140 56.287 -0.154 0.000 0.885 264 K CB 1.237 33.872 32.500 0.225 0.000 1.319 264 K HN 0.266 nan 8.250 nan 0.000 0.494 265 H N -0.535 118.652 119.070 0.196 0.000 2.667 265 H HA 0.614 5.170 4.556 -0.000 0.000 0.353 265 H C -1.202 174.186 175.328 0.099 0.000 1.072 265 H CA -0.841 55.265 56.048 0.096 0.000 1.214 265 H CB 2.039 31.798 29.762 -0.005 0.000 1.600 265 H HN 0.696 nan 8.280 nan 0.000 0.527 266 A N 2.586 125.504 122.820 0.164 0.000 2.469 266 A HA 0.608 4.928 4.320 -0.000 0.000 0.299 266 A C -1.518 176.090 177.584 0.041 0.000 1.098 266 A CA -0.678 51.398 52.037 0.064 0.000 0.737 266 A CB 2.152 21.207 19.000 0.091 0.000 1.312 266 A HN 0.446 nan 8.150 nan 0.000 0.414 267 L N 1.417 122.642 121.223 0.003 0.000 2.381 267 L HA 0.811 5.151 4.340 -0.000 0.000 0.274 267 L C -1.200 175.638 176.870 -0.053 0.000 0.988 267 L CA -0.393 54.438 54.840 -0.017 0.000 0.824 267 L CB 1.375 43.428 42.059 -0.010 0.000 1.263 267 L HN 0.708 nan 8.230 nan 0.000 0.410 268 I N 5.077 125.571 120.570 -0.127 0.000 2.465 268 I HA 0.624 4.794 4.170 -0.000 0.000 0.291 268 I C -1.330 174.534 176.117 -0.421 0.000 1.014 268 I CA -0.719 60.403 61.300 -0.297 0.000 1.093 268 I CB 1.934 39.687 38.000 -0.411 0.000 1.267 268 I HN 0.419 nan 8.210 nan 0.000 0.431 269 V N 7.940 127.597 119.914 -0.429 0.000 2.378 269 V HA 0.331 4.451 4.120 -0.000 0.000 0.288 269 V C -1.170 174.603 176.094 -0.536 0.000 1.016 269 V CA -0.446 61.640 62.300 -0.355 0.000 0.840 269 V CB 1.134 32.893 31.823 -0.106 0.000 0.994 269 V HN 0.485 nan 8.190 nan 0.000 0.431 270 Y N 2.610 122.779 120.300 -0.220 0.000 2.434 270 Y HA 0.498 5.048 4.550 -0.000 0.000 0.341 270 Y C 0.273 176.019 175.900 -0.257 0.000 0.965 270 Y CA -0.817 57.126 58.100 -0.262 0.000 1.205 270 Y CB 0.914 39.236 38.460 -0.229 0.000 1.121 270 Y HN 0.518 nan 8.280 nan 0.000 0.507 271 D N 3.831 124.097 120.400 -0.224 0.000 2.446 271 D HA 0.198 4.838 4.640 -0.000 0.000 0.251 271 D C -1.339 174.904 176.300 -0.095 0.000 1.137 271 D CA -0.415 53.484 54.000 -0.169 0.000 0.890 271 D CB 0.441 41.094 40.800 -0.244 0.000 1.071 271 D HN 0.710 nan 8.370 nan 0.000 0.528 272 D N 0.764 121.142 120.400 -0.037 0.000 2.523 272 D HA 0.235 4.875 4.640 -0.000 0.000 0.236 272 D C 0.942 177.221 176.300 -0.036 0.000 1.094 272 D CA -0.737 53.242 54.000 -0.034 0.000 0.942 272 D CB 1.116 41.907 40.800 -0.015 0.000 1.447 272 D HN 0.101 nan 8.370 nan 0.000 0.479 273 L N 0.246 121.415 121.223 -0.089 0.000 2.313 273 L HA -0.039 4.301 4.340 -0.000 0.000 0.214 273 L C 1.938 178.808 176.870 0.000 0.000 1.119 273 L CA 0.513 55.273 54.840 -0.133 0.000 0.809 273 L CB -0.393 41.375 42.059 -0.486 0.000 0.933 273 L HN 0.436 nan 8.230 nan 0.000 0.449 274 S N 0.343 116.042 115.700 -0.002 0.000 2.365 274 S HA -0.226 4.244 4.470 -0.000 0.000 0.225 274 S C 1.971 176.647 174.600 0.127 0.000 1.039 274 S CA 1.572 59.812 58.200 0.067 0.000 1.033 274 S CB -0.091 63.140 63.200 0.052 0.000 0.887 274 S HN 0.395 nan 8.310 nan 0.000 0.447 275 K N 0.723 121.180 120.400 0.095 0.000 2.167 275 K HA -0.015 4.305 4.320 -0.000 0.000 0.203 275 K C 2.442 179.123 176.600 0.135 0.000 1.052 275 K CA 0.632 56.984 56.287 0.109 0.000 0.956 275 K CB -0.115 32.431 32.500 0.076 0.000 0.735 275 K HN 0.374 nan 8.250 nan 0.000 0.451 276 Q N 0.837 120.710 119.800 0.120 0.000 2.084 276 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 276 Q C 1.979 178.120 176.000 0.236 0.000 0.978 276 Q CA 1.591 57.479 55.803 0.141 0.000 0.844 276 Q CB -0.093 28.672 28.738 0.045 0.000 0.898 276 Q HN 0.308 nan 8.270 nan 0.000 0.426 277 A N 0.051 123.030 122.820 0.266 0.000 1.972 277 A HA -0.112 4.208 4.320 -0.000 0.000 0.219 277 A C 2.178 180.033 177.584 0.452 0.000 1.169 277 A CA 1.373 53.619 52.037 0.349 0.000 0.635 277 A CB -0.583 18.584 19.000 0.280 0.000 0.810 277 A HN 0.312 nan 8.150 nan 0.000 0.446 278 V N -0.455 119.664 119.914 0.342 0.000 2.515 278 V HA -0.200 3.920 4.120 -0.000 0.000 0.250 278 V C 2.940 179.132 176.094 0.163 0.000 1.058 278 V CA 1.784 64.218 62.300 0.223 0.000 1.064 278 V CB -0.821 31.098 31.823 0.159 0.000 0.675 278 V HN 0.621 nan 8.190 nan 0.000 0.461 279 A N -1.137 121.809 122.820 0.210 0.000 1.898 279 A HA -0.186 4.133 4.320 -0.000 0.000 0.214 279 A C 2.145 179.871 177.584 0.237 0.000 1.183 279 A CA 1.439 53.594 52.037 0.196 0.000 0.622 279 A CB -0.700 18.433 19.000 0.223 0.000 0.824 279 A HN 0.554 nan 8.150 nan 0.000 0.444 280 Y N 0.855 121.269 120.300 0.191 0.000 2.128 280 Y HA -0.244 4.306 4.550 -0.000 0.000 0.284 280 Y C 2.463 178.412 175.900 0.081 0.000 1.154 280 Y CA 2.053 60.250 58.100 0.163 0.000 1.149 280 Y CB -0.546 38.071 38.460 0.262 0.000 0.976 280 Y HN 0.357 nan 8.280 nan 0.000 0.505 281 R N 0.197 120.722 120.500 0.041 0.000 2.105 281 R HA -0.258 4.082 4.340 -0.000 0.000 0.239 281 R C 2.466 178.679 176.300 -0.145 0.000 1.135 281 R CA 2.004 58.022 56.100 -0.136 0.000 0.967 281 R CB -0.398 29.781 30.300 -0.201 0.000 0.861 281 R HN 0.601 nan 8.270 nan 0.000 0.442 282 Q N 0.225 119.987 119.800 -0.064 0.000 2.016 282 Q HA -0.182 4.158 4.340 -0.000 0.000 0.200 282 Q C 2.063 178.011 176.000 -0.086 0.000 0.978 282 Q CA 1.531 57.297 55.803 -0.062 0.000 0.833 282 Q CB -0.096 28.633 28.738 -0.016 0.000 0.895 282 Q HN 0.304 nan 8.270 nan 0.000 0.427 283 L N 0.635 121.806 121.223 -0.086 0.000 1.991 283 L HA -0.301 4.039 4.340 -0.000 0.000 0.221 283 L C 2.614 179.388 176.870 -0.160 0.000 1.079 283 L CA 2.220 56.985 54.840 -0.124 0.000 0.778 283 L CB -1.012 40.951 42.059 -0.160 0.000 0.893 283 L HN 0.175 nan 8.230 nan 0.000 0.437 284 S N -1.038 114.514 115.700 -0.246 0.000 2.356 284 S HA -0.114 4.356 4.470 -0.000 0.000 0.223 284 S C 1.950 176.454 174.600 -0.159 0.000 1.032 284 S CA 1.238 59.289 58.200 -0.249 0.000 1.005 284 S CB -0.357 62.603 63.200 -0.401 0.000 0.867 284 S HN 0.309 nan 8.310 nan 0.000 0.449 285 L N 0.995 122.130 121.223 -0.147 0.000 2.079 285 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 285 L C 2.179 179.001 176.870 -0.080 0.000 1.081 285 L CA 1.070 55.849 54.840 -0.103 0.000 0.752 285 L CB -0.571 41.429 42.059 -0.099 0.000 0.896 285 L HN 0.298 nan 8.230 nan 0.000 0.433 286 L N -0.666 120.508 121.223 -0.082 0.000 2.156 286 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 286 L C 2.077 178.912 176.870 -0.059 0.000 1.095 286 L CA 0.771 55.572 54.840 -0.064 0.000 0.770 286 L CB -0.231 41.791 42.059 -0.062 0.000 0.914 286 L HN 0.269 nan 8.230 nan 0.000 0.439 287 L N -0.195 120.986 121.223 -0.071 0.000 2.675 287 L HA 0.033 4.373 4.340 -0.000 0.000 0.239 287 L C 0.700 177.542 176.870 -0.047 0.000 1.151 287 L CA 0.148 54.954 54.840 -0.057 0.000 0.905 287 L CB -0.352 41.668 42.059 -0.066 0.000 1.057 287 L HN 0.265 nan 8.230 nan 0.000 0.435 288 R N -0.075 120.395 120.500 -0.049 0.000 3.758 288 R HA -0.183 4.157 4.340 -0.000 0.000 0.299 288 R C -0.018 176.259 176.300 -0.038 0.000 1.182 288 R CA 0.513 56.589 56.100 -0.040 0.000 0.809 288 R CB -1.713 28.571 30.300 -0.027 0.000 1.249 288 R HN 0.432 nan 8.270 nan 0.000 0.497 289 R N 1.279 121.748 120.500 -0.051 0.000 2.347 289 R HA 0.172 4.512 4.340 -0.000 0.000 0.304 289 R C -2.110 174.165 176.300 -0.042 0.000 1.072 289 R CA -1.649 54.425 56.100 -0.044 0.000 0.980 289 R CB 0.428 30.693 30.300 -0.057 0.000 0.986 289 R HN -0.103 nan 8.270 nan 0.000 0.448 290 P HA 0.048 nan 4.420 nan 0.000 0.267 290 P C -2.198 175.094 177.300 -0.014 0.000 1.205 290 P CA -0.863 62.227 63.100 -0.018 0.000 0.765 290 P CB 0.164 31.860 31.700 -0.007 0.000 0.828 291 P HA 0.251 nan 4.420 nan 0.000 0.274 291 P C 0.215 177.529 177.300 0.023 0.000 1.246 291 P CA -0.080 63.015 63.100 -0.008 0.000 0.795 291 P CB 0.902 32.586 31.700 -0.026 0.000 1.006 292 G N 0.033 108.872 108.800 0.064 0.000 3.008 292 G HA2 0.323 4.283 3.960 -0.000 0.000 0.181 292 G HA3 0.323 4.283 3.960 -0.000 0.000 0.181 292 G C -0.555 174.385 174.900 0.067 0.000 1.309 292 G CA -0.814 44.331 45.100 0.074 0.000 1.009 292 G HN 0.538 nan 8.290 nan 0.000 0.584 293 R N 0.704 121.217 120.500 0.023 0.000 2.537 293 R HA 0.030 4.370 4.340 -0.000 0.000 0.281 293 R C 0.041 176.420 176.300 0.132 0.000 0.988 293 R CA 0.846 56.908 56.100 -0.062 0.000 1.077 293 R CB -0.238 29.808 30.300 -0.424 0.000 0.932 293 R HN 0.728 nan 8.270 nan 0.000 0.409 294 E N 2.511 122.777 120.200 0.111 0.000 2.539 294 E HA -0.338 4.012 4.350 -0.000 0.000 0.253 294 E C 0.397 177.058 176.600 0.100 0.000 1.145 294 E CA 0.498 57.007 56.400 0.182 0.000 0.738 294 E CB -1.211 28.721 29.700 0.386 0.000 1.308 294 E HN 0.872 nan 8.360 nan 0.000 0.409 295 A N -2.481 120.364 122.820 0.043 0.000 3.396 295 A HA -0.318 4.002 4.320 -0.000 0.000 0.267 295 A C 0.188 177.707 177.584 -0.109 0.000 1.139 295 A CA 1.800 53.803 52.037 -0.058 0.000 1.115 295 A CB -1.931 16.996 19.000 -0.122 0.000 1.133 295 A HN 0.441 nan 8.150 nan 0.000 0.920 296 Y N -0.017 120.341 120.300 0.097 0.000 2.357 296 Y HA 0.433 4.983 4.550 -0.000 0.000 0.340 296 Y C -1.637 174.311 175.900 0.081 0.000 1.260 296 Y CA -1.312 56.855 58.100 0.111 0.000 1.425 296 Y CB 0.072 38.672 38.460 0.232 0.000 1.326 296 Y HN 0.134 nan 8.280 nan 0.000 0.580 297 P HA -0.017 nan 4.420 nan 0.000 0.267 297 P C 0.729 178.173 177.300 0.240 0.000 1.200 297 P CA 0.582 63.745 63.100 0.105 0.000 0.772 297 P CB 0.741 32.401 31.700 -0.066 0.000 0.855 298 G N 2.900 111.808 108.800 0.180 0.000 2.556 298 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.220 298 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.220 298 G C 0.693 175.751 174.900 0.262 0.000 1.156 298 G CA 1.064 46.280 45.100 0.195 0.000 0.766 298 G HN 0.649 nan 8.290 nan 0.000 0.583 299 D N 0.517 121.095 120.400 0.298 0.000 2.538 299 D HA 0.118 4.758 4.640 -0.000 0.000 0.234 299 D C 1.741 178.277 176.300 0.393 0.000 1.191 299 D CA -0.290 53.926 54.000 0.360 0.000 0.828 299 D CB 0.183 41.201 40.800 0.363 0.000 0.981 299 D HN 0.145 nan 8.370 nan 0.000 0.490 300 V N -0.039 120.095 119.914 0.367 0.000 2.568 300 V HA -0.195 3.925 4.120 -0.000 0.000 0.253 300 V C 1.708 177.822 176.094 0.033 0.000 1.072 300 V CA 1.460 63.895 62.300 0.225 0.000 1.084 300 V CB -0.786 31.127 31.823 0.150 0.000 0.676 300 V HN 0.328 nan 8.190 nan 0.000 0.469 301 F N -0.276 119.686 119.950 0.020 0.000 2.206 301 F HA -0.144 4.383 4.527 -0.000 0.000 0.298 301 F C 2.089 177.940 175.800 0.085 0.000 1.090 301 F CA 2.013 60.025 58.000 0.021 0.000 1.323 301 F CB -0.576 38.463 39.000 0.066 0.000 1.028 301 F HN 0.327 nan 8.300 nan 0.000 0.492 302 Y N 0.922 121.211 120.300 -0.018 0.000 2.274 302 Y HA -0.173 4.377 4.550 -0.000 0.000 0.290 302 Y C 2.118 177.900 175.900 -0.196 0.000 1.145 302 Y CA 1.540 59.567 58.100 -0.122 0.000 1.203 302 Y CB -0.869 37.633 38.460 0.069 0.000 0.984 302 Y HN 0.260 nan 8.280 nan 0.000 0.533 303 L N -0.260 120.781 121.223 -0.304 0.000 2.042 303 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 303 L C 2.053 178.684 176.870 -0.399 0.000 1.076 303 L CA 2.381 56.964 54.840 -0.428 0.000 0.749 303 L CB -0.831 40.889 42.059 -0.565 0.000 0.893 303 L HN 0.338 nan 8.230 nan 0.000 0.432 304 H N -1.743 117.119 119.070 -0.346 0.000 2.465 304 H HA 0.009 4.565 4.556 -0.000 0.000 0.289 304 H C 2.366 177.439 175.328 -0.425 0.000 1.022 304 H CA 0.821 56.631 56.048 -0.397 0.000 1.340 304 H CB 0.100 29.654 29.762 -0.348 0.000 1.437 304 H HN 0.547 nan 8.280 nan 0.000 0.539 305 S N 1.512 116.950 115.700 -0.438 0.000 2.371 305 S HA -0.182 4.288 4.470 -0.000 0.000 0.224 305 S C 2.093 176.560 174.600 -0.221 0.000 1.029 305 S CA 0.913 58.871 58.200 -0.404 0.000 0.978 305 S CB -0.157 62.643 63.200 -0.666 0.000 0.833 305 S HN 0.511 nan 8.310 nan 0.000 0.466 306 R N 0.858 121.183 120.500 -0.293 0.000 2.148 306 R HA 0.095 4.435 4.340 -0.000 0.000 0.223 306 R C 2.251 178.496 176.300 -0.091 0.000 1.088 306 R CA 1.149 57.123 56.100 -0.211 0.000 0.985 306 R CB -0.742 29.261 30.300 -0.496 0.000 0.880 306 R HN 0.489 nan 8.270 nan 0.000 0.451 307 L N 1.353 122.514 121.223 -0.104 0.000 2.023 307 L HA 0.005 4.345 4.340 -0.000 0.000 0.205 307 L C 2.147 178.922 176.870 -0.158 0.000 1.073 307 L CA 1.519 56.268 54.840 -0.150 0.000 0.745 307 L CB -0.335 41.419 42.059 -0.508 0.000 0.900 307 L HN 0.156 nan 8.230 nan 0.000 0.435 308 L N -0.373 120.743 121.223 -0.177 0.000 2.291 308 L HA -0.066 4.274 4.340 -0.000 0.000 0.214 308 L C 2.387 179.242 176.870 -0.026 0.000 1.120 308 L CA 0.559 55.344 54.840 -0.092 0.000 0.799 308 L CB -0.661 41.333 42.059 -0.108 0.000 0.925 308 L HN 0.326 nan 8.230 nan 0.000 0.446 309 E N 0.457 120.640 120.200 -0.028 0.000 2.338 309 E HA -0.138 4.212 4.350 -0.000 0.000 0.197 309 E C 2.081 178.696 176.600 0.024 0.000 1.007 309 E CA 0.559 56.963 56.400 0.007 0.000 0.849 309 E CB 0.058 29.767 29.700 0.016 0.000 0.774 309 E HN 0.508 nan 8.360 nan 0.000 0.506 310 R N 0.526 121.043 120.500 0.028 0.000 2.235 310 R HA 0.057 4.397 4.340 -0.000 0.000 0.213 310 R C 0.923 177.259 176.300 0.060 0.000 1.059 310 R CA 0.425 56.554 56.100 0.048 0.000 0.997 310 R CB 0.075 30.413 30.300 0.063 0.000 0.884 310 R HN -0.085 nan 8.270 nan 0.000 0.462 311 A N 1.264 124.122 122.820 0.064 0.000 2.354 311 A HA 0.622 4.942 4.320 -0.000 0.000 0.281 311 A C -0.262 177.352 177.584 0.050 0.000 1.174 311 A CA -0.017 52.059 52.037 0.066 0.000 0.828 311 A CB 0.440 19.485 19.000 0.076 0.000 1.099 311 A HN 0.294 nan 8.150 nan 0.000 0.516 312 A N 2.422 125.271 122.820 0.049 0.000 2.601 312 A HA 0.713 5.033 4.320 -0.000 0.000 0.291 312 A C -0.938 176.675 177.584 0.047 0.000 1.075 312 A CA -0.742 51.321 52.037 0.043 0.000 0.671 312 A CB 1.029 20.051 19.000 0.037 0.000 1.277 312 A HN 0.920 nan 8.150 nan 0.000 0.417 313 K N 1.444 121.874 120.400 0.049 0.000 2.367 313 K HA 0.680 5.000 4.320 -0.000 0.000 0.263 313 K C -1.069 175.562 176.600 0.052 0.000 1.000 313 K CA -0.302 56.023 56.287 0.062 0.000 0.891 313 K CB 0.311 32.858 32.500 0.078 0.000 1.117 313 K HN 0.608 nan 8.250 nan 0.000 0.443 314 L N 2.587 123.833 121.223 0.039 0.000 2.466 314 L HA 0.318 4.658 4.340 -0.000 0.000 0.257 314 L C 0.709 177.596 176.870 0.028 0.000 1.189 314 L CA -0.630 54.221 54.840 0.020 0.000 0.813 314 L CB 1.063 43.117 42.059 -0.008 0.000 1.118 314 L HN 0.870 nan 8.230 nan 0.000 0.471 315 S N -0.509 115.199 115.700 0.013 0.000 2.645 315 S HA 0.140 4.610 4.470 -0.000 0.000 0.266 315 S C 0.770 175.374 174.600 0.006 0.000 1.258 315 S CA -0.670 57.537 58.200 0.011 0.000 0.990 315 S CB 1.271 64.472 63.200 0.002 0.000 0.967 315 S HN 0.658 nan 8.310 nan 0.000 0.556 316 E N 0.753 120.955 120.200 0.004 0.000 2.049 316 E HA -0.241 4.109 4.350 -0.000 0.000 0.198 316 E C 1.949 178.544 176.600 -0.009 0.000 1.007 316 E CA 1.560 57.960 56.400 0.000 0.000 0.809 316 E CB -0.235 29.463 29.700 -0.003 0.000 0.749 316 E HN 0.746 nan 8.360 nan 0.000 0.450 317 K N 0.580 120.974 120.400 -0.011 0.000 2.127 317 K HA -0.197 4.123 4.320 -0.000 0.000 0.208 317 K C 1.298 177.886 176.600 -0.021 0.000 1.047 317 K CA 1.358 57.636 56.287 -0.014 0.000 0.927 317 K CB 0.159 32.651 32.500 -0.012 0.000 0.716 317 K HN 0.020 nan 8.250 nan 0.000 0.450 318 E N -1.084 119.102 120.200 -0.022 0.000 2.444 318 E HA 0.065 4.415 4.350 -0.000 0.000 0.191 318 E C 0.762 177.332 176.600 -0.050 0.000 1.041 318 E CA 0.641 57.020 56.400 -0.035 0.000 0.883 318 E CB 0.996 30.678 29.700 -0.029 0.000 1.024 318 E HN 0.576 nan 8.360 nan 0.000 0.470 319 G N 1.146 109.921 108.800 -0.043 0.000 2.175 319 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.244 319 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.244 319 G C 0.639 175.509 174.900 -0.051 0.000 0.982 319 G CA 0.289 45.356 45.100 -0.056 0.000 0.641 319 G HN 0.148 nan 8.290 nan 0.000 0.527 320 S N -1.661 114.025 115.700 -0.024 0.000 3.146 320 S HA -0.178 4.292 4.470 -0.000 0.000 0.285 320 S C 1.790 176.374 174.600 -0.028 0.000 1.293 320 S CA 1.623 59.832 58.200 0.015 0.000 1.137 320 S CB -1.504 61.731 63.200 0.059 0.000 1.357 320 S HN 2.262 nan 8.310 nan 0.000 0.678 321 G N 1.256 109.978 108.800 -0.131 0.000 2.664 321 G HA2 0.471 4.431 3.960 -0.000 0.000 0.242 321 G HA3 0.471 4.431 3.960 -0.000 0.000 0.242 321 G C -0.009 174.830 174.900 -0.102 0.000 1.225 321 G CA 0.476 45.421 45.100 -0.258 0.000 0.849 321 G HN 1.259 nan 8.290 nan 0.000 0.581 322 S N -0.847 114.811 115.700 -0.070 0.000 2.579 322 S HA 0.690 5.160 4.470 -0.000 0.000 0.272 322 S C -1.342 173.314 174.600 0.094 0.000 1.141 322 S CA -0.862 57.394 58.200 0.094 0.000 0.843 322 S CB 2.046 65.400 63.200 0.257 0.000 1.122 322 S HN 1.289 nan 8.310 nan 0.000 0.468 323 L N 1.181 122.454 121.223 0.084 0.000 2.470 323 L HA 0.770 5.110 4.340 -0.000 0.000 0.268 323 L C -1.012 175.893 176.870 0.058 0.000 0.964 323 L CA 0.192 55.081 54.840 0.082 0.000 0.839 323 L CB 2.125 44.236 42.059 0.086 0.000 1.276 323 L HN 0.905 nan 8.230 nan 0.000 0.403 324 T N 3.951 118.527 114.554 0.037 0.000 2.823 324 T HA 0.883 5.233 4.350 -0.000 0.000 0.279 324 T C -0.549 174.151 174.700 0.000 0.000 0.998 324 T CA -0.215 61.894 62.100 0.016 0.000 0.994 324 T CB 1.570 70.436 68.868 -0.004 0.000 0.960 324 T HN 0.836 nan 8.240 nan 0.000 0.448 325 A N 2.948 125.777 122.820 0.014 0.000 2.355 325 A HA 0.788 5.108 4.320 -0.000 0.000 0.317 325 A C -0.706 176.884 177.584 0.010 0.000 1.094 325 A CA -0.728 51.319 52.037 0.016 0.000 0.764 325 A CB 0.673 19.755 19.000 0.136 0.000 1.230 325 A HN 0.845 nan 8.150 nan 0.000 0.448 326 L N 4.139 125.346 121.223 -0.026 0.000 2.502 326 L HA 0.317 4.657 4.340 -0.000 0.000 0.247 326 L C -2.317 174.566 176.870 0.022 0.000 1.180 326 L CA -1.754 53.083 54.840 -0.004 0.000 0.956 326 L CB 1.319 43.369 42.059 -0.015 0.000 1.282 326 L HN 0.469 nan 8.230 nan 0.000 0.470 327 P HA 0.079 nan 4.420 nan 0.000 0.268 327 P C -0.431 176.869 177.300 -0.000 0.000 1.205 327 P CA 0.016 63.162 63.100 0.076 0.000 0.771 327 P CB 1.784 33.471 31.700 -0.021 0.000 0.858 328 V N 4.466 124.367 119.914 -0.021 0.000 2.628 328 V HA 0.468 4.588 4.120 -0.000 0.000 0.306 328 V C 0.265 176.328 176.094 -0.051 0.000 1.045 328 V CA -0.596 61.689 62.300 -0.025 0.000 0.905 328 V CB 1.960 33.775 31.823 -0.015 0.000 0.997 328 V HN 0.416 nan 8.190 nan 0.000 0.436 329 I N 3.103 123.655 120.570 -0.029 0.000 2.569 329 I HA 0.415 4.585 4.170 -0.000 0.000 0.290 329 I C -0.278 175.845 176.117 0.010 0.000 1.088 329 I CA -0.411 60.872 61.300 -0.029 0.000 1.047 329 I CB 2.184 40.157 38.000 -0.045 0.000 1.237 329 I HN 0.769 nan 8.210 nan 0.000 0.421 330 E N 4.763 124.973 120.200 0.017 0.000 2.134 330 E HA 0.452 4.802 4.350 -0.000 0.000 0.278 330 E C -0.420 176.208 176.600 0.047 0.000 0.959 330 E CA -0.347 56.070 56.400 0.028 0.000 0.783 330 E CB 1.271 30.987 29.700 0.027 0.000 1.095 330 E HN 0.708 nan 8.360 nan 0.000 0.399 331 T N 1.756 116.347 114.554 0.061 0.000 2.849 331 T HA 0.361 4.711 4.350 -0.000 0.000 0.276 331 T C -0.112 174.628 174.700 0.067 0.000 0.971 331 T CA -0.964 61.183 62.100 0.079 0.000 0.949 331 T CB 1.305 70.247 68.868 0.123 0.000 1.093 331 T HN 0.354 nan 8.240 nan 0.000 0.545 332 Q N -0.073 119.771 119.800 0.074 0.000 2.330 332 Q HA 0.501 4.841 4.340 -0.000 0.000 0.269 332 Q C 0.706 176.747 176.000 0.067 0.000 1.022 332 Q CA -0.168 55.674 55.803 0.065 0.000 0.796 332 Q CB 1.506 30.286 28.738 0.069 0.000 1.271 332 Q HN 1.322 nan 8.270 nan 0.000 0.450 333 G N 1.480 110.314 108.800 0.058 0.000 2.198 333 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.260 333 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.260 333 G C 0.791 175.735 174.900 0.073 0.000 1.025 333 G CA 0.724 45.859 45.100 0.059 0.000 0.769 333 G HN 1.349 nan 8.290 nan 0.000 0.507 334 G N -0.644 108.207 108.800 0.085 0.000 2.203 334 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.263 334 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.263 334 G C 0.268 175.266 174.900 0.165 0.000 1.012 334 G CA 1.055 46.236 45.100 0.135 0.000 0.749 334 G HN 1.345 nan 8.290 nan 0.000 0.512 335 D N 0.594 121.067 120.400 0.120 0.000 2.558 335 D HA 0.356 4.996 4.640 -0.000 0.000 0.221 335 D C 1.923 178.278 176.300 0.090 0.000 1.143 335 D CA 0.198 54.255 54.000 0.095 0.000 1.010 335 D CB 0.157 41.004 40.800 0.077 0.000 1.068 335 D HN 0.478 nan 8.370 nan 0.000 0.511 336 V N 0.650 120.613 119.914 0.083 0.000 3.330 336 V HA -0.062 4.058 4.120 -0.000 0.000 0.273 336 V C 1.417 177.493 176.094 -0.032 0.000 1.179 336 V CA 0.883 63.178 62.300 -0.009 0.000 1.174 336 V CB -0.532 31.152 31.823 -0.232 0.000 0.794 336 V HN 0.268 nan 8.190 nan 0.000 0.527 337 S N 0.236 115.938 115.700 0.004 0.000 2.540 337 S HA 0.598 5.068 4.470 -0.000 0.000 0.218 337 S C 1.226 175.856 174.600 0.050 0.000 0.977 337 S CA 0.231 58.440 58.200 0.014 0.000 0.918 337 S CB 0.114 63.322 63.200 0.013 0.000 0.806 337 S HN 0.847 nan 8.310 nan 0.000 0.496 338 A N 0.917 123.776 122.820 0.064 0.000 2.455 338 A HA 0.272 4.592 4.320 -0.000 0.000 0.244 338 A C 0.977 178.639 177.584 0.131 0.000 1.099 338 A CA -0.027 52.071 52.037 0.101 0.000 0.786 338 A CB -0.222 18.840 19.000 0.102 0.000 1.051 338 A HN 0.361 nan 8.150 nan 0.000 0.508 339 Y N 0.791 121.103 120.300 0.019 0.000 2.036 339 Y HA -0.241 4.309 4.550 -0.000 0.000 0.273 339 Y C 1.952 177.848 175.900 -0.006 0.000 1.135 339 Y CA 2.290 60.396 58.100 0.009 0.000 1.106 339 Y CB -0.371 38.099 38.460 0.017 0.000 0.976 339 Y HN 0.465 nan 8.280 nan 0.000 0.483 340 I N 0.765 121.185 120.570 -0.250 0.000 2.163 340 I HA -0.221 3.949 4.170 -0.000 0.000 0.243 340 I C -0.294 175.743 176.117 -0.133 0.000 1.085 340 I CA 1.630 62.742 61.300 -0.314 0.000 1.347 340 I CB -2.943 34.888 38.000 -0.281 0.000 1.044 340 I HN 0.219 nan 8.210 nan 0.000 0.408 341 P HA -0.148 nan 4.420 nan 0.000 0.214 341 P C 1.829 179.113 177.300 -0.028 0.000 1.163 341 P CA 2.492 65.574 63.100 -0.030 0.000 0.889 341 P CB -0.351 31.352 31.700 0.006 0.000 0.790 342 T N -3.063 111.485 114.554 -0.010 0.000 2.788 342 T HA -0.152 4.198 4.350 -0.000 0.000 0.268 342 T C 1.705 176.424 174.700 0.032 0.000 1.044 342 T CA 1.311 63.416 62.100 0.008 0.000 1.139 342 T CB -1.165 67.721 68.868 0.030 0.000 0.867 342 T HN -0.010 nan 8.240 nan 0.000 0.454 343 N N 1.415 120.126 118.700 0.019 0.000 2.036 343 N HA -0.080 4.660 4.740 -0.000 0.000 0.195 343 N C 1.993 177.588 175.510 0.142 0.000 1.037 343 N CA 1.382 54.511 53.050 0.131 0.000 0.855 343 N CB -0.873 37.657 38.487 0.071 0.000 1.033 343 N HN 0.343 nan 8.380 nan 0.000 0.423 344 V N 1.404 121.328 119.914 0.018 0.000 2.427 344 V HA -0.131 3.989 4.120 -0.000 0.000 0.248 344 V C 2.237 178.322 176.094 -0.015 0.000 1.051 344 V CA 1.020 63.293 62.300 -0.045 0.000 1.048 344 V CB -0.441 31.286 31.823 -0.159 0.000 0.666 344 V HN 0.226 nan 8.190 nan 0.000 0.456 345 I N 1.426 121.992 120.570 -0.006 0.000 2.264 345 I HA -0.245 3.925 4.170 -0.000 0.000 0.248 345 I C 2.599 178.733 176.117 0.028 0.000 1.111 345 I CA 1.923 63.221 61.300 -0.002 0.000 1.382 345 I CB -0.450 37.536 38.000 -0.024 0.000 1.060 345 I HN 0.482 nan 8.210 nan 0.000 0.418 346 S N 0.475 116.215 115.700 0.068 0.000 2.515 346 S HA 0.003 4.473 4.470 -0.000 0.000 0.231 346 S C 1.796 176.482 174.600 0.144 0.000 0.987 346 S CA 0.548 58.812 58.200 0.106 0.000 0.936 346 S CB -0.537 62.743 63.200 0.133 0.000 0.766 346 S HN 0.454 nan 8.310 nan 0.000 0.528 347 I N 2.044 122.683 120.570 0.115 0.000 2.494 347 I HA 0.003 4.173 4.170 -0.000 0.000 0.250 347 I C 1.662 177.795 176.117 0.027 0.000 1.112 347 I CA 0.815 62.153 61.300 0.062 0.000 1.438 347 I CB -0.722 37.259 38.000 -0.032 0.000 1.111 347 I HN 0.401 nan 8.210 nan 0.000 0.431 348 T N -1.886 112.675 114.554 0.011 0.000 2.788 348 T HA 0.122 4.472 4.350 -0.000 0.000 0.280 348 T C 0.289 174.999 174.700 0.017 0.000 0.984 348 T CA -0.540 61.564 62.100 0.006 0.000 0.972 348 T CB 0.834 69.701 68.868 -0.003 0.000 1.039 348 T HN 0.026 nan 8.240 nan 0.000 0.530 349 D N 0.577 120.988 120.400 0.017 0.000 2.706 349 D HA 0.432 5.072 4.640 -0.000 0.000 0.236 349 D C 0.829 177.140 176.300 0.018 0.000 1.231 349 D CA 0.206 54.217 54.000 0.019 0.000 0.828 349 D CB -0.258 40.553 40.800 0.019 0.000 1.015 349 D HN 0.991 nan 8.370 nan 0.000 0.484 350 G N 0.643 109.452 108.800 0.016 0.000 2.340 350 G HA2 0.144 4.104 3.960 -0.000 0.000 0.527 350 G HA3 0.144 4.104 3.960 -0.000 0.000 0.527 350 G C -1.721 173.191 174.900 0.020 0.000 1.381 350 G CA -1.045 44.066 45.100 0.018 0.000 1.001 350 G HN 0.048 nan 8.290 nan 0.000 0.626 351 Q N -0.977 118.841 119.800 0.030 0.000 2.389 351 Q HA 0.766 5.106 4.340 -0.000 0.000 0.277 351 Q C -0.498 175.552 176.000 0.083 0.000 1.082 351 Q CA -0.598 55.236 55.803 0.052 0.000 0.810 351 Q CB 2.521 31.287 28.738 0.047 0.000 1.374 351 Q HN 0.669 nan 8.270 nan 0.000 0.422 352 I N 1.892 122.521 120.570 0.098 0.000 2.321 352 I HA 0.378 4.548 4.170 -0.000 0.000 0.291 352 I C -1.056 175.174 176.117 0.189 0.000 0.998 352 I CA -0.626 60.744 61.300 0.117 0.000 1.227 352 I CB 0.670 38.709 38.000 0.065 0.000 1.368 352 I HN 0.475 nan 8.210 nan 0.000 0.466 353 F N 8.007 127.964 119.950 0.012 0.000 2.402 353 F HA 0.567 5.094 4.527 -0.000 0.000 0.355 353 F C -0.874 174.936 175.800 0.016 0.000 1.123 353 F CA -0.912 57.095 58.000 0.012 0.000 1.021 353 F CB 0.749 39.758 39.000 0.015 0.000 1.160 353 F HN 0.172 nan 8.300 nan 0.000 0.451 354 L N 5.814 126.692 121.223 -0.576 0.000 2.317 354 L HA 0.531 4.871 4.340 -0.000 0.000 0.281 354 L C -0.502 176.040 176.870 -0.546 0.000 1.024 354 L CA -0.598 53.993 54.840 -0.416 0.000 0.810 354 L CB 1.735 43.669 42.059 -0.208 0.000 1.240 354 L HN 0.525 nan 8.230 nan 0.000 0.427 355 E N 0.836 120.839 120.200 -0.329 0.000 2.266 355 E HA 0.411 4.761 4.350 -0.000 0.000 0.268 355 E C 0.093 176.631 176.600 -0.103 0.000 0.879 355 E CA -0.574 55.688 56.400 -0.229 0.000 0.762 355 E CB 2.370 31.976 29.700 -0.158 0.000 1.199 355 E HN 0.698 nan 8.360 nan 0.000 0.422 356 A N 2.280 125.051 122.820 -0.082 0.000 1.933 356 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 356 A C 1.904 179.535 177.584 0.078 0.000 1.175 356 A CA 1.735 53.737 52.037 -0.058 0.000 0.628 356 A CB -0.295 18.727 19.000 0.037 0.000 0.814 356 A HN 0.796 nan 8.150 nan 0.000 0.444 357 E N -0.094 120.170 120.200 0.106 0.000 2.051 357 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 357 E C 1.932 178.606 176.600 0.124 0.000 0.991 357 E CA 1.189 57.678 56.400 0.148 0.000 0.799 357 E CB -0.204 29.555 29.700 0.098 0.000 0.748 357 E HN 0.645 nan 8.360 nan 0.000 0.449 358 L N 0.032 121.297 121.223 0.070 0.000 2.083 358 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 358 L C 2.452 179.344 176.870 0.036 0.000 1.083 358 L CA 0.906 55.776 54.840 0.050 0.000 0.752 358 L CB -0.447 41.627 42.059 0.026 0.000 0.899 358 L HN 0.212 nan 8.230 nan 0.000 0.433 359 F N -0.040 119.820 119.950 -0.150 0.000 2.075 359 F HA -0.280 4.247 4.527 -0.000 0.000 0.297 359 F C 2.249 177.915 175.800 -0.222 0.000 1.113 359 F CA 1.615 59.461 58.000 -0.257 0.000 1.218 359 F CB -0.250 38.473 39.000 -0.461 0.000 0.984 359 F HN -0.047 nan 8.300 nan 0.000 0.472 360 Y N 0.283 120.710 120.300 0.211 0.000 2.509 360 Y HA -0.022 4.528 4.550 -0.000 0.000 0.293 360 Y C 2.133 178.044 175.900 0.018 0.000 1.133 360 Y CA 0.746 58.913 58.100 0.112 0.000 1.283 360 Y CB -0.719 37.824 38.460 0.138 0.000 1.001 360 Y HN 0.042 nan 8.280 nan 0.000 0.555 361 K N -0.958 119.516 120.400 0.123 0.000 2.365 361 K HA 0.109 4.429 4.320 -0.000 0.000 0.197 361 K C 1.352 177.957 176.600 0.008 0.000 1.042 361 K CA 0.829 57.157 56.287 0.067 0.000 0.987 361 K CB 0.012 32.548 32.500 0.060 0.000 0.779 361 K HN 0.440 nan 8.250 nan 0.000 0.484 362 G N 1.143 109.905 108.800 -0.065 0.000 2.192 362 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.193 362 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.193 362 G C 0.105 174.921 174.900 -0.139 0.000 0.999 362 G CA -0.508 44.523 45.100 -0.114 0.000 0.659 362 G HN 0.155 nan 8.290 nan 0.000 0.503 363 I N 1.817 122.319 120.570 -0.113 0.000 2.308 363 I HA 0.468 4.638 4.170 -0.000 0.000 0.293 363 I C 0.521 176.560 176.117 -0.130 0.000 1.078 363 I CA -0.049 61.204 61.300 -0.079 0.000 1.292 363 I CB 0.633 38.624 38.000 -0.016 0.000 1.423 363 I HN 0.028 nan 8.210 nan 0.000 0.493 364 R N 7.377 127.798 120.500 -0.131 0.000 2.515 364 R HA 0.369 4.709 4.340 -0.000 0.000 0.291 364 R C -2.692 173.569 176.300 -0.064 0.000 1.046 364 R CA -1.708 54.309 56.100 -0.137 0.000 0.914 364 R CB 2.109 32.237 30.300 -0.287 0.000 1.191 364 R HN 0.278 nan 8.270 nan 0.000 0.435 365 P HA -0.012 nan 4.420 nan 0.000 0.268 365 P C -0.303 177.003 177.300 0.010 0.000 1.205 365 P CA -0.117 62.985 63.100 0.003 0.000 0.771 365 P CB 0.838 32.538 31.700 0.000 0.000 0.858 366 A N 4.492 127.341 122.820 0.049 0.000 3.029 366 A HA 0.163 4.483 4.320 -0.000 0.000 0.251 366 A C 0.728 178.302 177.584 -0.016 0.000 1.749 366 A CA -0.300 51.756 52.037 0.032 0.000 1.386 366 A CB -1.556 17.506 19.000 0.103 0.000 1.043 366 A HN 0.482 nan 8.150 nan 0.000 0.638 367 I N 1.342 121.913 120.570 0.001 0.000 2.396 367 I HA 0.017 4.187 4.170 -0.000 0.000 0.289 367 I C 0.572 176.713 176.117 0.040 0.000 1.056 367 I CA -0.349 60.959 61.300 0.014 0.000 1.365 367 I CB 0.631 38.652 38.000 0.035 0.000 1.407 367 I HN 0.396 nan 8.210 nan 0.000 0.509 368 N N 6.812 125.550 118.700 0.064 0.000 2.415 368 N HA 0.053 4.793 4.740 -0.000 0.000 0.250 368 N C 0.780 176.376 175.510 0.143 0.000 1.127 368 N CA 0.003 53.130 53.050 0.128 0.000 0.945 368 N CB 1.266 39.900 38.487 0.245 0.000 1.196 368 N HN 0.415 nan 8.380 nan 0.000 0.499 369 V N 3.987 123.967 119.914 0.110 0.000 2.287 369 V HA -0.190 3.930 4.120 -0.000 0.000 0.248 369 V C 2.452 178.603 176.094 0.094 0.000 1.053 369 V CA 2.283 64.643 62.300 0.101 0.000 1.027 369 V CB -1.080 30.804 31.823 0.102 0.000 0.646 369 V HN 0.742 nan 8.190 nan 0.000 0.447 370 G N -0.418 108.435 108.800 0.087 0.000 2.475 370 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.220 370 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.220 370 G C 1.430 176.362 174.900 0.055 0.000 1.125 370 G CA 0.904 46.041 45.100 0.063 0.000 0.755 370 G HN 0.518 nan 8.290 nan 0.000 0.565 371 L N 0.607 121.881 121.223 0.085 0.000 2.640 371 L HA 0.259 4.599 4.340 -0.000 0.000 0.230 371 L C 0.367 177.265 176.870 0.045 0.000 1.123 371 L CA -0.218 54.642 54.840 0.032 0.000 0.900 371 L CB 0.566 42.620 42.059 -0.008 0.000 1.146 371 L HN -0.015 nan 8.230 nan 0.000 0.484 372 S N 0.682 116.440 115.700 0.097 0.000 2.442 372 S HA 0.556 5.026 4.470 -0.000 0.000 0.297 372 S C -0.253 174.382 174.600 0.058 0.000 1.131 372 S CA -0.553 57.704 58.200 0.095 0.000 1.092 372 S CB 1.937 65.209 63.200 0.121 0.000 0.998 372 S HN 0.071 nan 8.310 nan 0.000 0.478 373 V N 0.801 120.741 119.914 0.043 0.000 2.962 373 V HA 0.909 5.029 4.120 -0.000 0.000 0.313 373 V C -0.326 175.787 176.094 0.031 0.000 1.099 373 V CA -0.789 61.530 62.300 0.032 0.000 0.971 373 V CB 1.938 33.773 31.823 0.020 0.000 1.028 373 V HN 0.681 nan 8.190 nan 0.000 0.430 374 S N 2.278 117.995 115.700 0.028 0.000 2.454 374 S HA 0.554 5.024 4.470 -0.000 0.000 0.306 374 S C 0.526 175.139 174.600 0.020 0.000 1.100 374 S CA -0.777 57.437 58.200 0.023 0.000 1.087 374 S CB 1.625 64.838 63.200 0.021 0.000 1.019 374 S HN 0.853 nan 8.310 nan 0.000 0.480 375 R N 3.040 123.551 120.500 0.019 0.000 2.317 375 R HA 0.155 4.495 4.340 -0.000 0.000 0.208 375 R C 0.957 177.268 176.300 0.019 0.000 0.914 375 R CA 0.376 56.488 56.100 0.019 0.000 1.060 375 R CB 0.072 30.383 30.300 0.019 0.000 1.015 375 R HN 0.530 nan 8.270 nan 0.000 0.498 376 V N -0.492 119.432 119.914 0.017 0.000 3.085 376 V HA 0.175 4.295 4.120 -0.000 0.000 0.245 376 V C 1.378 177.482 176.094 0.017 0.000 1.114 376 V CA 0.951 63.261 62.300 0.017 0.000 1.108 376 V CB 0.102 31.933 31.823 0.014 0.000 0.798 376 V HN 0.599 nan 8.190 nan 0.000 0.471 377 G N 1.390 110.199 108.800 0.016 0.000 2.547 377 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.271 377 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.271 377 G C 1.175 176.083 174.900 0.014 0.000 1.209 377 G CA 1.117 46.228 45.100 0.017 0.000 0.959 377 G HN 0.937 nan 8.290 nan 0.000 0.563 378 S N 0.168 115.877 115.700 0.016 0.000 2.419 378 S HA 0.146 4.616 4.470 -0.000 0.000 0.233 378 S C 2.672 177.279 174.600 0.012 0.000 1.016 378 S CA 2.104 60.312 58.200 0.013 0.000 0.974 378 S CB -0.632 62.578 63.200 0.017 0.000 0.786 378 S HN 2.247 nan 8.310 nan 0.000 0.492 379 A N 1.213 124.044 122.820 0.018 0.000 2.148 379 A HA 0.259 4.579 4.320 -0.000 0.000 0.222 379 A C 1.965 179.562 177.584 0.021 0.000 1.161 379 A CA 1.538 53.592 52.037 0.028 0.000 0.662 379 A CB -0.914 18.108 19.000 0.036 0.000 0.799 379 A HN 1.177 nan 8.150 nan 0.000 0.466 380 A N -1.648 121.172 122.820 -0.001 0.000 2.606 380 A HA 0.479 4.799 4.320 -0.000 0.000 0.290 380 A C 0.349 177.907 177.584 -0.044 0.000 1.174 380 A CA -0.146 51.871 52.037 -0.032 0.000 0.958 380 A CB 0.043 19.024 19.000 -0.031 0.000 1.194 380 A HN 0.509 nan 8.150 nan 0.000 0.526 381 Q N 0.029 119.813 119.800 -0.027 0.000 2.306 381 Q HA 0.554 4.894 4.340 -0.000 0.000 0.265 381 Q C -0.777 175.205 176.000 -0.030 0.000 1.022 381 Q CA -0.635 55.153 55.803 -0.024 0.000 0.853 381 Q CB 2.117 30.852 28.738 -0.004 0.000 1.327 381 Q HN 0.179 nan 8.270 nan 0.000 0.449 382 V N 4.056 123.951 119.914 -0.032 0.000 2.617 382 V HA -0.125 3.995 4.120 -0.000 0.000 0.304 382 V C 1.380 177.468 176.094 -0.011 0.000 1.040 382 V CA 0.534 62.817 62.300 -0.028 0.000 1.149 382 V CB 0.679 32.492 31.823 -0.016 0.000 0.914 382 V HN 0.863 nan 8.190 nan 0.000 0.487 383 K N 5.284 125.678 120.400 -0.010 0.000 2.107 383 K HA -0.254 4.066 4.320 -0.000 0.000 0.211 383 K C 1.952 178.555 176.600 0.005 0.000 1.049 383 K CA 2.256 58.544 56.287 0.000 0.000 0.927 383 K CB -0.371 32.129 32.500 0.000 0.000 0.714 383 K HN 0.831 nan 8.250 nan 0.000 0.452 384 A N 0.331 123.153 122.820 0.003 0.000 1.873 384 A HA -0.101 4.219 4.320 -0.000 0.000 0.215 384 A C 2.115 179.710 177.584 0.017 0.000 1.186 384 A CA 1.523 53.564 52.037 0.006 0.000 0.616 384 A CB -0.726 18.273 19.000 -0.002 0.000 0.823 384 A HN 0.367 nan 8.150 nan 0.000 0.442 385 L N 0.200 121.433 121.223 0.017 0.000 2.083 385 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 385 L C 2.334 179.221 176.870 0.029 0.000 1.083 385 L CA 2.495 57.351 54.840 0.026 0.000 0.752 385 L CB -0.496 41.576 42.059 0.022 0.000 0.899 385 L HN 0.479 nan 8.230 nan 0.000 0.433 386 K N -0.907 119.506 120.400 0.021 0.000 2.103 386 K HA -0.233 4.087 4.320 -0.000 0.000 0.207 386 K C 1.964 178.581 176.600 0.028 0.000 1.048 386 K CA 1.855 58.155 56.287 0.022 0.000 0.930 386 K CB -0.087 32.423 32.500 0.017 0.000 0.716 386 K HN 0.557 nan 8.250 nan 0.000 0.444 387 Q N 0.162 119.981 119.800 0.032 0.000 2.083 387 Q HA -0.099 4.241 4.340 -0.000 0.000 0.198 387 Q C 2.073 178.108 176.000 0.057 0.000 0.969 387 Q CA 1.701 57.528 55.803 0.039 0.000 0.838 387 Q CB 0.052 28.813 28.738 0.037 0.000 0.900 387 Q HN 0.349 nan 8.270 nan 0.000 0.436 388 V N -2.558 117.400 119.914 0.074 0.000 3.461 388 V HA 0.265 4.385 4.120 -0.000 0.000 0.267 388 V C 0.842 176.972 176.094 0.060 0.000 1.186 388 V CA 0.586 62.952 62.300 0.111 0.000 1.154 388 V CB -0.293 31.631 31.823 0.169 0.000 0.802 388 V HN 0.148 nan 8.190 nan 0.000 0.474 389 A N 0.957 123.801 122.820 0.040 0.000 2.654 389 A HA 0.767 5.087 4.320 -0.000 0.000 0.345 389 A C 1.200 178.795 177.584 0.018 0.000 1.368 389 A CA 0.219 52.268 52.037 0.020 0.000 0.895 389 A CB 0.186 19.202 19.000 0.025 0.000 1.143 389 A HN 0.417 nan 8.150 nan 0.000 0.490 390 G N 1.453 110.257 108.800 0.007 0.000 2.879 390 G HA2 0.005 3.965 3.960 -0.000 0.000 0.200 390 G HA3 0.005 3.965 3.960 -0.000 0.000 0.200 390 G C 1.000 175.914 174.900 0.023 0.000 1.437 390 G CA 1.248 46.356 45.100 0.012 0.000 0.835 390 G HN 1.334 nan 8.290 nan 0.000 0.640 391 S N 0.042 115.759 115.700 0.029 0.000 2.383 391 S HA 0.384 4.854 4.470 -0.000 0.000 0.227 391 S C 1.121 175.775 174.600 0.091 0.000 1.261 391 S CA -0.468 57.767 58.200 0.059 0.000 1.262 391 S CB 1.017 64.259 63.200 0.070 0.000 0.992 391 S HN 0.260 nan 8.310 nan 0.000 0.491 392 L N 2.060 123.323 121.223 0.066 0.000 2.027 392 L HA 0.182 4.522 4.340 -0.000 0.000 0.206 392 L C 2.371 179.332 176.870 0.151 0.000 1.074 392 L CA 1.854 56.744 54.840 0.083 0.000 0.745 392 L CB -0.589 41.488 42.059 0.031 0.000 0.898 392 L HN 0.508 nan 8.230 nan 0.000 0.433 393 K N -0.639 119.826 120.400 0.108 0.000 2.032 393 K HA -0.192 4.128 4.320 -0.000 0.000 0.209 393 K C 2.120 178.791 176.600 0.118 0.000 1.048 393 K CA 1.885 58.235 56.287 0.105 0.000 0.927 393 K CB -0.256 32.289 32.500 0.074 0.000 0.712 393 K HN 0.389 nan 8.250 nan 0.000 0.441 394 L N 0.156 121.447 121.223 0.113 0.000 2.046 394 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 394 L C 2.483 179.431 176.870 0.129 0.000 1.077 394 L CA 1.284 56.184 54.840 0.100 0.000 0.747 394 L CB -0.535 41.572 42.059 0.081 0.000 0.896 394 L HN 0.251 nan 8.230 nan 0.000 0.432 395 F N 0.738 120.711 119.950 0.039 0.000 2.095 395 F HA -0.250 4.277 4.527 0.000 0.000 0.298 395 F C 2.278 178.135 175.800 0.096 0.000 1.104 395 F CA 1.518 59.548 58.000 0.050 0.000 1.232 395 F CB -0.244 38.770 39.000 0.023 0.000 0.987 395 F HN -0.116 nan 8.300 nan 0.000 0.475 396 L N 0.030 121.431 121.223 0.297 0.000 2.012 396 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 396 L C 2.841 179.789 176.870 0.130 0.000 1.073 396 L CA 1.371 56.355 54.840 0.240 0.000 0.748 396 L CB -1.273 40.931 42.059 0.241 0.000 0.891 396 L HN 0.319 nan 8.230 nan 0.000 0.431 397 A N -1.048 121.815 122.820 0.072 0.000 1.908 397 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 397 A C 2.209 179.767 177.584 -0.043 0.000 1.181 397 A CA 1.372 53.424 52.037 0.024 0.000 0.627 397 A CB -0.407 18.610 19.000 0.029 0.000 0.818 397 A HN 0.398 nan 8.150 nan 0.000 0.445 398 Q N -1.765 117.982 119.800 -0.089 0.000 2.167 398 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 398 Q C 1.873 177.751 176.000 -0.202 0.000 0.970 398 Q CA 1.656 57.372 55.803 -0.144 0.000 0.855 398 Q CB -0.367 28.279 28.738 -0.154 0.000 0.911 398 Q HN 0.927 nan 8.270 nan 0.000 0.438 399 Y N 0.812 120.868 120.300 -0.407 0.000 2.200 399 Y HA -0.137 4.413 4.550 0.000 0.000 0.290 399 Y C 2.334 178.138 175.900 -0.159 0.000 1.137 399 Y CA 1.614 59.484 58.100 -0.384 0.000 1.163 399 Y CB -0.214 37.937 38.460 -0.514 0.000 0.988 399 Y HN -0.067 nan 8.280 nan 0.000 0.518 400 R N 0.450 120.671 120.500 -0.465 0.000 2.120 400 R HA -0.198 4.141 4.340 -0.000 0.000 0.234 400 R C 2.216 178.342 176.300 -0.290 0.000 1.123 400 R CA 1.684 57.510 56.100 -0.457 0.000 0.975 400 R CB -0.219 29.981 30.300 -0.167 0.000 0.866 400 R HN 0.612 nan 8.270 nan 0.000 0.446 401 E N -0.517 119.565 120.200 -0.196 0.000 2.076 401 E HA -0.097 4.253 4.350 -0.000 0.000 0.190 401 E C 1.687 178.235 176.600 -0.087 0.000 0.979 401 E CA 1.391 57.722 56.400 -0.115 0.000 0.807 401 E CB -0.316 29.329 29.700 -0.092 0.000 0.761 401 E HN 0.098 nan 8.360 nan 0.000 0.454 402 V N 1.334 121.174 119.914 -0.124 0.000 2.343 402 V HA -0.271 3.849 4.120 -0.000 0.000 0.247 402 V C 2.489 178.565 176.094 -0.031 0.000 1.051 402 V CA 1.822 64.099 62.300 -0.039 0.000 1.036 402 V CB -1.051 30.746 31.823 -0.043 0.000 0.654 402 V HN 0.528 nan 8.190 nan 0.000 0.451 403 A N 0.197 122.894 122.820 -0.205 0.000 1.859 403 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 403 A C 2.471 179.998 177.584 -0.094 0.000 1.198 403 A CA 2.589 54.501 52.037 -0.209 0.000 0.629 403 A CB -1.095 17.629 19.000 -0.459 0.000 0.830 403 A HN 0.608 nan 8.150 nan 0.000 0.446 404 A N -1.597 121.174 122.820 -0.082 0.000 1.908 404 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 404 A C 2.090 179.688 177.584 0.024 0.000 1.181 404 A CA 1.793 53.815 52.037 -0.025 0.000 0.627 404 A CB -0.750 18.242 19.000 -0.014 0.000 0.818 404 A HN 0.789 nan 8.150 nan 0.000 0.445 405 F N 0.723 120.629 119.950 -0.074 0.000 2.365 405 F HA 0.073 4.600 4.527 -0.000 0.000 0.300 405 F C 2.324 178.099 175.800 -0.042 0.000 1.090 405 F CA 0.813 58.782 58.000 -0.052 0.000 1.408 405 F CB -0.155 38.815 39.000 -0.051 0.000 1.060 405 F HN 0.237 nan 8.300 nan 0.000 0.534 406 A N 0.032 122.816 122.820 -0.061 0.000 1.968 406 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 406 A C 1.490 178.982 177.584 -0.153 0.000 1.169 406 A CA 0.374 52.350 52.037 -0.102 0.000 0.638 406 A CB -0.526 18.469 19.000 -0.009 0.000 0.812 406 A HN 0.386 nan 8.150 nan 0.000 0.446 411 D N 2.168 122.554 120.400 -0.022 0.000 2.248 411 D HA 0.741 5.381 4.640 -0.000 0.000 0.246 411 D C -0.016 176.284 176.300 0.000 0.000 1.027 411 D CA -0.579 53.416 54.000 -0.009 0.000 0.853 411 D CB 0.926 41.723 40.800 -0.005 0.000 1.243 411 D HN 0.447 nan 8.370 nan 0.000 0.462 412 L N 0.328 121.557 121.223 0.010 0.000 2.448 412 L HA 0.420 4.760 4.340 -0.000 0.000 0.258 412 L C 0.904 177.790 176.870 0.027 0.000 1.104 412 L CA -1.110 53.745 54.840 0.025 0.000 0.800 412 L CB 0.552 42.631 42.059 0.033 0.000 1.241 412 L HN 0.512 nan 8.230 nan 0.000 0.472 413 D N 0.130 120.552 120.400 0.036 0.000 2.437 413 D HA 0.312 4.952 4.640 -0.000 0.000 0.259 413 D C 0.606 176.924 176.300 0.031 0.000 1.118 413 D CA -0.120 53.898 54.000 0.030 0.000 1.017 413 D CB 1.679 42.498 40.800 0.031 0.000 1.120 413 D HN 0.522 nan 8.370 nan 0.000 0.541 414 A N 1.021 123.856 122.820 0.025 0.000 1.834 414 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 414 A C 2.288 179.891 177.584 0.031 0.000 1.203 414 A CA 3.297 55.348 52.037 0.023 0.000 0.621 414 A CB -1.495 17.515 19.000 0.016 0.000 0.841 414 A HN 0.770 nan 8.150 nan 0.000 0.446 415 S N -1.500 114.219 115.700 0.032 0.000 2.392 415 S HA -0.232 4.238 4.470 -0.000 0.000 0.232 415 S C 1.885 176.520 174.600 0.058 0.000 1.041 415 S CA 2.306 60.531 58.200 0.042 0.000 1.026 415 S CB -1.273 61.949 63.200 0.037 0.000 0.845 415 S HN 0.585 nan 8.310 nan 0.000 0.465 416 T N 0.846 115.434 114.554 0.056 0.000 3.014 416 T HA 0.104 4.454 4.350 -0.000 0.000 0.263 416 T C 1.713 176.459 174.700 0.076 0.000 1.078 416 T CA 1.260 63.401 62.100 0.068 0.000 1.135 416 T CB -0.307 68.601 68.868 0.067 0.000 0.895 416 T HN 0.603 nan 8.240 nan 0.000 0.480 417 K N 0.421 120.857 120.400 0.061 0.000 2.025 417 K HA -0.023 4.297 4.320 -0.000 0.000 0.207 417 K C 2.136 178.774 176.600 0.063 0.000 1.049 417 K CA 1.302 57.622 56.287 0.056 0.000 0.933 417 K CB -0.018 32.503 32.500 0.036 0.000 0.714 417 K HN 0.363 nan 8.250 nan 0.000 0.438 418 Q N -0.534 119.300 119.800 0.056 0.000 2.482 418 Q HA -0.037 4.303 4.340 -0.000 0.000 0.209 418 Q C 1.340 177.395 176.000 0.092 0.000 0.961 418 Q CA 0.733 56.566 55.803 0.049 0.000 0.945 418 Q CB 0.419 29.170 28.738 0.021 0.000 1.012 418 Q HN 0.212 nan 8.270 nan 0.000 0.515 419 T N 0.196 114.832 114.554 0.136 0.000 3.067 419 T HA 0.016 4.366 4.350 -0.000 0.000 0.261 419 T C 1.373 176.224 174.700 0.253 0.000 1.110 419 T CA 0.372 62.608 62.100 0.226 0.000 1.113 419 T CB 0.147 69.124 68.868 0.181 0.000 0.917 419 T HN 0.156 nan 8.240 nan 0.000 0.499 420 L N -0.011 121.329 121.223 0.194 0.000 2.221 420 L HA 0.250 4.590 4.340 -0.000 0.000 0.202 420 L C 2.312 179.262 176.870 0.133 0.000 1.074 420 L CA 0.844 55.829 54.840 0.242 0.000 0.795 420 L CB -0.149 42.014 42.059 0.173 0.000 0.960 420 L HN 0.010 nan 8.230 nan 0.000 0.458 421 V N 0.042 119.996 119.914 0.066 0.000 2.295 421 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 421 V C 2.718 178.790 176.094 -0.037 0.000 1.049 421 V CA 2.200 64.507 62.300 0.011 0.000 1.024 421 V CB -0.656 31.163 31.823 -0.006 0.000 0.648 421 V HN 0.444 nan 8.190 nan 0.000 0.447 422 R N 0.033 120.511 120.500 -0.036 0.000 2.066 422 R HA -0.113 4.227 4.340 -0.000 0.000 0.232 422 R C 2.397 178.604 176.300 -0.155 0.000 1.131 422 R CA 1.633 57.676 56.100 -0.095 0.000 0.955 422 R CB -0.798 29.442 30.300 -0.099 0.000 0.851 422 R HN 0.547 nan 8.270 nan 0.000 0.432 423 G N 0.231 108.905 108.800 -0.211 0.000 2.450 423 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.220 423 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.220 423 G C 1.248 175.752 174.900 -0.661 0.000 1.130 423 G CA 0.805 45.464 45.100 -0.736 0.000 0.760 423 G HN 0.443 nan 8.290 nan 0.000 0.557 424 E N -0.116 119.909 120.200 -0.291 0.000 2.046 424 E HA -0.041 4.309 4.350 -0.000 0.000 0.190 424 E C 2.738 179.295 176.600 -0.072 0.000 0.982 424 E CA 0.446 56.807 56.400 -0.064 0.000 0.800 424 E CB 0.039 29.759 29.700 0.033 0.000 0.756 424 E HN 0.320 nan 8.360 nan 0.000 0.449 425 R N -0.055 120.387 120.500 -0.098 0.000 2.115 425 R HA -0.029 4.311 4.340 -0.000 0.000 0.230 425 R C 2.375 178.618 176.300 -0.095 0.000 1.111 425 R CA 0.734 56.776 56.100 -0.096 0.000 0.976 425 R CB -0.078 30.149 30.300 -0.121 0.000 0.870 425 R HN 0.203 nan 8.270 nan 0.000 0.445 426 L N -0.282 120.870 121.223 -0.118 0.000 2.141 426 L HA -0.133 4.207 4.340 -0.000 0.000 0.209 426 L C 2.022 178.865 176.870 -0.045 0.000 1.094 426 L CA 1.196 55.982 54.840 -0.090 0.000 0.763 426 L CB -0.410 41.583 42.059 -0.110 0.000 0.908 426 L HN 0.245 nan 8.230 nan 0.000 0.437 427 T N -1.329 113.198 114.554 -0.045 0.000 2.708 427 T HA -0.263 4.087 4.350 -0.000 0.000 0.266 427 T C 1.794 176.498 174.700 0.008 0.000 1.037 427 T CA 1.397 63.503 62.100 0.010 0.000 1.146 427 T CB -0.133 68.767 68.868 0.053 0.000 0.865 427 T HN 0.183 nan 8.240 nan 0.000 0.435 428 Q N 0.745 120.541 119.800 -0.005 0.000 2.084 428 Q HA -0.023 4.317 4.340 -0.000 0.000 0.202 428 Q C 2.106 178.108 176.000 0.003 0.000 0.978 428 Q CA 1.167 56.968 55.803 -0.002 0.000 0.844 428 Q CB -0.730 28.002 28.738 -0.010 0.000 0.898 428 Q HN 0.425 nan 8.270 nan 0.000 0.426 429 L N -0.373 120.848 121.223 -0.004 0.000 2.127 429 L HA -0.096 4.244 4.340 -0.000 0.000 0.211 429 L C 1.607 178.495 176.870 0.030 0.000 1.089 429 L CA 1.538 56.389 54.840 0.018 0.000 0.757 429 L CB -0.177 41.885 42.059 0.005 0.000 0.899 429 L HN 0.339 nan 8.230 nan 0.000 0.434 430 L N -0.932 120.303 121.223 0.019 0.000 2.599 430 L HA 0.001 4.341 4.340 -0.000 0.000 0.230 430 L C 0.842 177.719 176.870 0.013 0.000 1.141 430 L CA -0.023 54.830 54.840 0.021 0.000 0.877 430 L CB -0.491 41.583 42.059 0.024 0.000 1.009 430 L HN 0.109 nan 8.230 nan 0.000 0.447 431 K N 1.440 121.843 120.400 0.007 0.000 2.326 431 K HA 0.221 4.541 4.320 -0.000 0.000 0.275 431 K C -0.163 176.435 176.600 -0.004 0.000 1.018 431 K CA 0.185 56.465 56.287 -0.011 0.000 0.962 431 K CB 0.808 33.297 32.500 -0.019 0.000 0.953 431 K HN -0.002 nan 8.250 nan 0.000 0.475 432 Q N 2.148 121.936 119.800 -0.020 0.000 2.353 432 Q HA 0.188 4.528 4.340 -0.000 0.000 0.275 432 Q C -1.272 174.712 176.000 -0.027 0.000 1.029 432 Q CA -0.826 54.970 55.803 -0.012 0.000 0.848 432 Q CB 1.453 30.187 28.738 -0.006 0.000 1.390 432 Q HN 0.503 nan 8.270 nan 0.000 0.401 433 N N 1.910 120.603 118.700 -0.012 0.000 2.399 433 N HA 0.079 4.819 4.740 -0.000 0.000 0.250 433 N C -0.622 174.862 175.510 -0.043 0.000 1.272 433 N CA -0.133 52.908 53.050 -0.014 0.000 0.928 433 N CB 0.695 39.197 38.487 0.024 0.000 1.158 433 N HN 0.588 nan 8.380 nan 0.000 0.463 434 Q N -0.268 119.481 119.800 -0.084 0.000 2.417 434 Q HA 0.015 4.355 4.340 -0.000 0.000 0.241 434 Q C -0.507 175.419 176.000 -0.123 0.000 1.008 434 Q CA -0.049 55.591 55.803 -0.272 0.000 0.901 434 Q CB 0.226 28.640 28.738 -0.540 0.000 1.259 434 Q HN 0.550 nan 8.270 nan 0.000 0.489 435 Y N -0.357 119.920 120.300 -0.039 0.000 4.490 435 Y HA -0.245 4.305 4.550 -0.000 0.000 0.233 435 Y C 0.233 176.112 175.900 -0.034 0.000 1.101 435 Y CA 0.912 58.962 58.100 -0.084 0.000 2.010 435 Y CB -1.972 36.462 38.460 -0.043 0.000 1.622 435 Y HN 0.403 nan 8.280 nan 0.000 0.675 436 S N 0.130 115.873 115.700 0.071 0.000 2.617 436 S HA 0.369 4.839 4.470 -0.000 0.000 0.237 436 S C -2.521 172.094 174.600 0.024 0.000 1.142 436 S CA -0.919 57.317 58.200 0.061 0.000 1.167 436 S CB 0.378 63.612 63.200 0.057 0.000 1.068 436 S HN 0.012 nan 8.310 nan 0.000 0.470 437 P HA 0.282 nan 4.420 nan 0.000 0.276 437 P C -0.708 176.592 177.300 -0.000 0.000 1.230 437 P CA -0.255 62.848 63.100 0.005 0.000 0.776 437 P CB 0.633 32.337 31.700 0.006 0.000 0.888 438 L N 1.889 123.113 121.223 0.002 0.000 2.343 438 L HA 0.604 4.944 4.340 -0.000 0.000 0.275 438 L C 0.933 177.799 176.870 -0.007 0.000 1.056 438 L CA -1.084 53.751 54.840 -0.008 0.000 0.804 438 L CB 1.171 43.230 42.059 0.000 0.000 1.203 438 L HN 0.384 nan 8.230 nan 0.000 0.440 439 A N 1.623 124.425 122.820 -0.031 0.000 2.406 439 A HA 0.235 4.555 4.320 -0.000 0.000 0.243 439 A C 1.182 178.769 177.584 0.006 0.000 1.082 439 A CA -0.100 51.922 52.037 -0.025 0.000 0.786 439 A CB 0.295 19.253 19.000 -0.069 0.000 1.029 439 A HN 0.867 nan 8.150 nan 0.000 0.495 440 T N 0.738 115.316 114.554 0.040 0.000 2.746 440 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 440 T C 1.768 176.472 174.700 0.006 0.000 1.039 440 T CA 1.664 63.788 62.100 0.039 0.000 1.142 440 T CB -0.202 68.704 68.868 0.064 0.000 0.866 440 T HN 0.872 nan 8.240 nan 0.000 0.444 441 E N 1.930 122.122 120.200 -0.013 0.000 2.265 441 E HA -0.192 4.158 4.350 -0.000 0.000 0.196 441 E C 1.465 178.022 176.600 -0.072 0.000 0.996 441 E CA 1.168 57.540 56.400 -0.046 0.000 0.832 441 E CB -0.261 29.404 29.700 -0.058 0.000 0.756 441 E HN 0.601 nan 8.360 nan 0.000 0.491 442 E N 0.668 120.832 120.200 -0.061 0.000 2.122 442 E HA -0.060 4.290 4.350 -0.000 0.000 0.190 442 E C 2.250 178.832 176.600 -0.030 0.000 0.977 442 E CA 0.553 56.910 56.400 -0.073 0.000 0.820 442 E CB 0.006 29.667 29.700 -0.065 0.000 0.770 442 E HN 0.358 nan 8.360 nan 0.000 0.462 443 Q N 0.534 120.333 119.800 -0.001 0.000 2.079 443 Q HA -0.120 4.220 4.340 -0.000 0.000 0.200 443 Q C 2.412 178.441 176.000 0.047 0.000 0.974 443 Q CA 1.219 57.040 55.803 0.029 0.000 0.840 443 Q CB -0.032 28.725 28.738 0.032 0.000 0.898 443 Q HN 0.121 nan 8.270 nan 0.000 0.430 444 V N 1.545 121.478 119.914 0.031 0.000 2.252 444 V HA -0.227 3.893 4.120 -0.000 0.000 0.249 444 V C -0.822 175.330 176.094 0.096 0.000 1.056 444 V CA 2.197 64.526 62.300 0.048 0.000 1.022 444 V CB -1.570 30.258 31.823 0.008 0.000 0.641 444 V HN 0.286 nan 8.190 nan 0.000 0.445 445 P HA -0.095 nan 4.420 nan 0.000 0.218 445 P C 1.872 179.383 177.300 0.352 0.000 1.149 445 P CA 1.255 64.451 63.100 0.160 0.000 0.817 445 P CB -0.020 31.652 31.700 -0.046 0.000 0.785 446 L N -1.032 120.344 121.223 0.256 0.000 1.961 446 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 446 L C 2.309 179.304 176.870 0.209 0.000 1.072 446 L CA 1.400 56.412 54.840 0.287 0.000 0.749 446 L CB -1.081 41.096 42.059 0.195 0.000 0.889 446 L HN -0.085 nan 8.230 nan 0.000 0.432 447 I N -0.703 119.955 120.570 0.146 0.000 2.194 447 I HA -0.370 3.800 4.170 -0.000 0.000 0.246 447 I C 2.514 178.696 176.117 0.108 0.000 1.093 447 I CA 1.803 63.160 61.300 0.096 0.000 1.355 447 I CB -1.304 36.743 38.000 0.079 0.000 1.046 447 I HN 0.295 nan 8.210 nan 0.000 0.413 448 Y N 1.907 122.240 120.300 0.055 0.000 2.097 448 Y HA -0.251 4.299 4.550 -0.000 0.000 0.282 448 Y C 2.641 178.576 175.900 0.058 0.000 1.152 448 Y CA 2.239 60.367 58.100 0.047 0.000 1.136 448 Y CB -0.333 38.154 38.460 0.044 0.000 0.975 448 Y HN 0.122 nan 8.280 nan 0.000 0.498 449 A N 0.062 122.992 122.820 0.183 0.000 1.933 449 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 449 A C 2.436 180.014 177.584 -0.010 0.000 1.175 449 A CA 1.762 53.840 52.037 0.069 0.000 0.628 449 A CB -1.709 17.364 19.000 0.121 0.000 0.814 449 A HN 0.620 nan 8.150 nan 0.000 0.444 450 G N -0.508 108.275 108.800 -0.029 0.000 2.524 450 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.215 450 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.215 450 G C 1.514 176.325 174.900 -0.149 0.000 1.239 450 G CA 1.258 46.301 45.100 -0.095 0.000 0.798 450 G HN 0.307 nan 8.290 nan 0.000 0.557 451 V N 1.783 121.600 119.914 -0.161 0.000 2.392 451 V HA -0.192 3.928 4.120 -0.000 0.000 0.249 451 V C 2.332 178.278 176.094 -0.247 0.000 1.059 451 V CA 1.886 64.053 62.300 -0.221 0.000 1.051 451 V CB -0.400 31.316 31.823 -0.179 0.000 0.658 451 V HN 0.411 nan 8.190 nan 0.000 0.455 452 N N -0.347 118.196 118.700 -0.262 0.000 2.412 452 N HA 0.081 4.821 4.740 -0.000 0.000 0.184 452 N C 1.444 176.817 175.510 -0.228 0.000 1.101 452 N CA 1.033 53.932 53.050 -0.251 0.000 0.881 452 N CB 1.019 39.299 38.487 -0.346 0.000 0.969 452 N HN 0.600 nan 8.380 nan 0.000 0.459 453 G N 0.759 109.443 108.800 -0.192 0.000 2.138 453 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.193 453 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.193 453 G C 0.339 175.084 174.900 -0.257 0.000 0.998 453 G CA -0.029 44.939 45.100 -0.219 0.000 0.668 453 G HN 0.420 nan 8.290 nan 0.000 0.516 454 H N -0.254 118.716 119.070 -0.166 0.000 2.491 454 H HA 0.253 4.809 4.556 -0.000 0.000 0.290 454 H C 2.625 177.835 175.328 -0.198 0.000 1.050 454 H CA 1.461 57.427 56.048 -0.137 0.000 1.309 454 H CB 0.072 29.780 29.762 -0.090 0.000 1.392 454 H HN 0.457 nan 8.280 nan 0.000 0.554 455 L N -0.001 121.127 121.223 -0.159 0.000 2.509 455 L HA -0.056 4.284 4.340 -0.000 0.000 0.222 455 L C 1.246 177.991 176.870 -0.209 0.000 1.123 455 L CA 0.243 54.908 54.840 -0.292 0.000 0.856 455 L CB 0.053 41.909 42.059 -0.338 0.000 0.985 455 L HN 0.199 nan 8.230 nan 0.000 0.456 456 D N 0.826 121.128 120.400 -0.162 0.000 2.221 456 D HA -0.137 4.503 4.640 -0.000 0.000 0.204 456 D C 1.753 177.989 176.300 -0.106 0.000 0.982 456 D CA 1.332 55.255 54.000 -0.128 0.000 0.857 456 D CB -0.071 40.656 40.800 -0.122 0.000 0.934 456 D HN 0.304 nan 8.370 nan 0.000 0.475 457 G N -0.329 108.406 108.800 -0.108 0.000 3.820 457 G HA2 0.387 4.347 3.960 -0.000 0.000 0.293 457 G HA3 0.387 4.347 3.960 -0.000 0.000 0.293 457 G C 0.106 174.957 174.900 -0.082 0.000 1.152 457 G CA -0.276 44.775 45.100 -0.082 0.000 0.921 457 G HN 0.116 nan 8.290 nan 0.000 0.544 458 I N 0.114 120.621 120.570 -0.105 0.000 2.465 458 I HA 0.237 4.407 4.170 -0.000 0.000 0.291 458 I C 0.098 176.170 176.117 -0.075 0.000 1.014 458 I CA -0.856 60.385 61.300 -0.098 0.000 1.093 458 I CB 2.551 40.448 38.000 -0.171 0.000 1.267 458 I HN 0.042 nan 8.210 nan 0.000 0.431 459 E N 3.720 123.894 120.200 -0.043 0.000 2.502 459 E HA -0.093 4.257 4.350 -0.000 0.000 0.261 459 E C 0.718 177.302 176.600 -0.027 0.000 0.974 459 E CA -0.114 56.269 56.400 -0.027 0.000 0.936 459 E CB 0.854 30.547 29.700 -0.011 0.000 0.926 459 E HN 0.477 nan 8.360 nan 0.000 0.459 460 L N 4.202 125.412 121.223 -0.022 0.000 2.191 460 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 460 L C 2.096 178.964 176.870 -0.004 0.000 1.103 460 L CA 2.155 56.984 54.840 -0.019 0.000 0.769 460 L CB -0.403 41.650 42.059 -0.010 0.000 0.908 460 L HN 0.639 nan 8.230 nan 0.000 0.438 461 S N -1.695 114.008 115.700 0.005 0.000 2.481 461 S HA -0.085 4.385 4.470 -0.000 0.000 0.231 461 S C 1.964 176.582 174.600 0.029 0.000 0.996 461 S CA 0.452 58.661 58.200 0.015 0.000 0.942 461 S CB -0.386 62.823 63.200 0.015 0.000 0.768 461 S HN 0.496 nan 8.310 nan 0.000 0.520 462 R N 0.187 120.706 120.500 0.032 0.000 2.312 462 R HA 0.376 4.716 4.340 -0.000 0.000 0.205 462 R C 1.397 177.763 176.300 0.110 0.000 0.904 462 R CA -0.012 56.128 56.100 0.066 0.000 1.052 462 R CB -0.062 30.275 30.300 0.062 0.000 1.014 462 R HN 0.371 nan 8.270 nan 0.000 0.503 463 I N 0.125 120.732 120.570 0.061 0.000 2.335 463 I HA -0.161 4.009 4.170 -0.000 0.000 0.251 463 I C 2.234 178.448 176.117 0.161 0.000 1.129 463 I CA 1.545 62.888 61.300 0.072 0.000 1.402 463 I CB -1.229 36.765 38.000 -0.010 0.000 1.069 463 I HN 0.248 nan 8.210 nan 0.000 0.424 464 G N 1.919 110.788 108.800 0.115 0.000 2.433 464 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.216 464 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.216 464 G C 1.507 176.492 174.900 0.143 0.000 1.186 464 G CA 0.964 46.131 45.100 0.111 0.000 0.779 464 G HN 0.649 nan 8.290 nan 0.000 0.543 465 E N -0.674 119.614 120.200 0.148 0.000 2.208 465 E HA -0.029 4.321 4.350 -0.000 0.000 0.193 465 E C 2.082 178.811 176.600 0.216 0.000 0.988 465 E CA 0.410 56.900 56.400 0.149 0.000 0.828 465 E CB -0.442 29.329 29.700 0.118 0.000 0.763 465 E HN 0.396 nan 8.360 nan 0.000 0.478 466 F N 2.406 122.431 119.950 0.125 0.000 2.102 466 F HA -0.182 4.345 4.527 -0.000 0.000 0.298 466 F C 2.288 178.199 175.800 0.185 0.000 1.105 466 F CA 2.197 60.312 58.000 0.192 0.000 1.239 466 F CB -0.218 38.865 39.000 0.138 0.000 0.991 466 F HN 0.076 nan 8.300 nan 0.000 0.474 467 E N 0.228 120.642 120.200 0.358 0.000 2.065 467 E HA -0.288 4.062 4.350 -0.000 0.000 0.201 467 E C 2.157 178.788 176.600 0.050 0.000 1.016 467 E CA 2.495 59.034 56.400 0.231 0.000 0.818 467 E CB -0.332 29.488 29.700 0.200 0.000 0.749 467 E HN 0.550 nan 8.360 nan 0.000 0.453 468 S N -0.271 115.460 115.700 0.051 0.000 2.387 468 S HA -0.057 4.413 4.470 -0.000 0.000 0.226 468 S C 2.236 176.823 174.600 -0.021 0.000 1.026 468 S CA 1.039 59.246 58.200 0.011 0.000 0.972 468 S CB -0.079 63.142 63.200 0.035 0.000 0.814 468 S HN 0.138 nan 8.310 nan 0.000 0.477 469 S N 1.347 117.051 115.700 0.007 0.000 2.383 469 S HA 0.092 4.562 4.470 -0.000 0.000 0.227 469 S C 1.387 175.864 174.600 -0.204 0.000 1.026 469 S CA 0.794 59.032 58.200 0.063 0.000 0.981 469 S CB -0.497 62.877 63.200 0.290 0.000 0.818 469 S HN 0.511 nan 8.310 nan 0.000 0.472 470 F N 2.714 122.158 119.950 -0.844 0.000 2.102 470 F HA -0.002 4.525 4.527 -0.000 0.000 0.298 470 F C 1.761 177.226 175.800 -0.559 0.000 1.105 470 F CA 0.963 58.175 58.000 -1.313 0.000 1.239 470 F CB -0.826 37.385 39.000 -1.315 0.000 0.991 470 F HN 0.100 nan 8.300 nan 0.000 0.474 471 L N -0.981 120.000 121.223 -0.404 0.000 2.017 471 L HA -0.247 4.093 4.340 -0.000 0.000 0.208 471 L C 2.629 179.357 176.870 -0.237 0.000 1.073 471 L CA 1.510 56.137 54.840 -0.355 0.000 0.745 471 L CB -1.285 40.651 42.059 -0.206 0.000 0.894 471 L HN 0.043 nan 8.230 nan 0.000 0.432 472 S N -0.961 114.661 115.700 -0.131 0.000 2.372 472 S HA -0.295 4.175 4.470 -0.000 0.000 0.227 472 S C 1.903 176.491 174.600 -0.020 0.000 1.044 472 S CA 1.964 60.134 58.200 -0.050 0.000 1.050 472 S CB -0.471 62.739 63.200 0.016 0.000 0.901 472 S HN 0.445 nan 8.310 nan 0.000 0.447 473 Y N 1.947 122.161 120.300 -0.143 0.000 2.097 473 Y HA -0.134 4.416 4.550 -0.000 0.000 0.282 473 Y C 1.956 177.800 175.900 -0.093 0.000 1.152 473 Y CA 1.540 59.601 58.100 -0.066 0.000 1.136 473 Y CB -0.688 37.752 38.460 -0.033 0.000 0.975 473 Y HN 0.182 nan 8.280 nan 0.000 0.498 474 L N 0.233 121.244 121.223 -0.353 0.000 2.042 474 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 474 L C 2.379 179.077 176.870 -0.288 0.000 1.076 474 L CA 1.890 56.487 54.840 -0.406 0.000 0.749 474 L CB -0.565 41.188 42.059 -0.509 0.000 0.893 474 L HN 0.173 nan 8.230 nan 0.000 0.432 475 K N -0.903 119.358 120.400 -0.231 0.000 2.362 475 K HA -0.079 4.241 4.320 -0.000 0.000 0.200 475 K C 2.160 178.668 176.600 -0.153 0.000 1.046 475 K CA 0.921 57.107 56.287 -0.168 0.000 0.952 475 K CB 0.039 32.460 32.500 -0.132 0.000 0.753 475 K HN 0.172 nan 8.250 nan 0.000 0.466 476 S N 0.648 116.243 115.700 -0.175 0.000 2.398 476 S HA 0.024 4.494 4.470 -0.000 0.000 0.220 476 S C 1.330 175.795 174.600 -0.226 0.000 1.046 476 S CA 0.780 58.888 58.200 -0.152 0.000 0.953 476 S CB 0.063 63.214 63.200 -0.083 0.000 0.856 476 S HN 0.298 nan 8.310 nan 0.000 0.506 477 N N 0.309 118.777 118.700 -0.386 0.000 2.439 477 N HA 0.104 4.844 4.740 -0.000 0.000 0.176 477 N C 0.415 175.528 175.510 -0.662 0.000 1.029 477 N CA 0.681 53.405 53.050 -0.543 0.000 0.886 477 N CB 0.106 38.154 38.487 -0.732 0.000 1.057 477 N HN 0.324 nan 8.380 nan 0.000 0.437 478 H N -0.062 118.798 119.070 -0.350 0.000 2.472 478 H HA 0.234 4.790 4.556 -0.000 0.000 0.287 478 H C 0.530 175.732 175.328 -0.210 0.000 1.112 478 H CA -0.158 55.736 56.048 -0.257 0.000 1.021 478 H CB -0.021 29.573 29.762 -0.280 0.000 1.635 478 H HN 0.336 nan 8.280 nan 0.000 0.559 479 N N 1.374 119.994 118.700 -0.134 0.000 2.289 479 N HA -0.135 4.605 4.740 -0.000 0.000 0.184 479 N C 1.094 176.552 175.510 -0.086 0.000 1.016 479 N CA 0.729 53.710 53.050 -0.115 0.000 0.872 479 N CB 0.387 38.804 38.487 -0.117 0.000 0.973 479 N HN 0.517 nan 8.380 nan 0.000 0.433 480 E N 0.277 120.434 120.200 -0.072 0.000 2.153 480 E HA -0.149 4.201 4.350 -0.000 0.000 0.194 480 E C 1.889 178.460 176.600 -0.049 0.000 0.988 480 E CA 0.336 56.703 56.400 -0.054 0.000 0.811 480 E CB 0.061 29.735 29.700 -0.044 0.000 0.746 480 E HN 0.260 nan 8.360 nan 0.000 0.466 481 L N 0.943 122.138 121.223 -0.047 0.000 2.017 481 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 481 L C 2.166 178.988 176.870 -0.080 0.000 1.073 481 L CA 1.575 56.379 54.840 -0.060 0.000 0.745 481 L CB -0.874 41.145 42.059 -0.066 0.000 0.894 481 L HN 0.223 nan 8.230 nan 0.000 0.432 482 L N -1.154 120.014 121.223 -0.093 0.000 2.083 482 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 482 L C 2.313 179.139 176.870 -0.072 0.000 1.083 482 L CA 1.527 56.309 54.840 -0.098 0.000 0.752 482 L CB -1.079 40.910 42.059 -0.117 0.000 0.899 482 L HN 0.269 nan 8.230 nan 0.000 0.433 483 T N -0.991 113.524 114.554 -0.064 0.000 2.746 483 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 483 T C 1.758 176.435 174.700 -0.039 0.000 1.039 483 T CA 1.189 63.259 62.100 -0.050 0.000 1.142 483 T CB -0.139 68.701 68.868 -0.047 0.000 0.866 483 T HN 0.369 nan 8.240 nan 0.000 0.444 484 E N 0.528 120.704 120.200 -0.041 0.000 2.072 484 E HA -0.052 4.298 4.350 -0.000 0.000 0.191 484 E C 2.228 178.809 176.600 -0.032 0.000 0.985 484 E CA 0.824 57.203 56.400 -0.034 0.000 0.801 484 E CB -0.258 29.420 29.700 -0.036 0.000 0.750 484 E HN 0.495 nan 8.360 nan 0.000 0.452 485 I N 0.691 121.236 120.570 -0.042 0.000 2.208 485 I HA -0.305 3.865 4.170 -0.000 0.000 0.245 485 I C 2.768 178.875 176.117 -0.018 0.000 1.097 485 I CA 1.140 62.418 61.300 -0.036 0.000 1.363 485 I CB -0.288 37.681 38.000 -0.052 0.000 1.051 485 I HN 0.042 nan 8.210 nan 0.000 0.413 486 R N 0.960 121.450 120.500 -0.018 0.000 2.075 486 R HA -0.164 4.176 4.340 -0.000 0.000 0.232 486 R C 2.116 178.426 176.300 0.017 0.000 1.126 486 R CA 1.599 57.702 56.100 0.005 0.000 0.963 486 R CB -0.014 30.281 30.300 -0.008 0.000 0.858 486 R HN 0.390 nan 8.270 nan 0.000 0.435 487 E N -0.432 119.769 120.200 0.002 0.000 2.122 487 E HA -0.063 4.287 4.350 -0.000 0.000 0.190 487 E C 1.848 178.450 176.600 0.003 0.000 0.977 487 E CA 0.647 57.050 56.400 0.006 0.000 0.820 487 E CB 0.331 30.029 29.700 -0.003 0.000 0.770 487 E HN 0.223 nan 8.360 nan 0.000 0.462 488 K N -0.525 119.872 120.400 -0.004 0.000 2.211 488 K HA 0.037 4.357 4.320 -0.000 0.000 0.201 488 K C 1.311 177.908 176.600 -0.005 0.000 1.052 488 K CA 0.835 57.118 56.287 -0.006 0.000 0.973 488 K CB 0.383 32.877 32.500 -0.011 0.000 0.766 488 K HN 0.237 nan 8.250 nan 0.000 0.466 489 G N 2.552 111.350 108.800 -0.004 0.000 2.198 489 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.260 489 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.260 489 G C -0.152 174.744 174.900 -0.007 0.000 1.025 489 G CA 0.983 46.081 45.100 -0.004 0.000 0.769 489 G HN 0.428 nan 8.290 nan 0.000 0.507 490 E N -1.367 118.827 120.200 -0.010 0.000 2.412 490 E HA 0.636 4.986 4.350 -0.000 0.000 0.279 490 E C -0.917 175.674 176.600 -0.016 0.000 0.984 490 E CA -1.039 55.356 56.400 -0.009 0.000 0.788 490 E CB 1.189 30.886 29.700 -0.006 0.000 1.277 490 E HN 0.167 nan 8.360 nan 0.000 0.455 491 L N 3.173 124.387 121.223 -0.014 0.000 2.345 491 L HA 0.370 4.710 4.340 -0.000 0.000 0.274 491 L C 0.075 176.935 176.870 -0.016 0.000 0.999 491 L CA -0.670 54.156 54.840 -0.024 0.000 0.849 491 L CB 1.439 43.479 42.059 -0.032 0.000 1.220 491 L HN 0.546 nan 8.230 nan 0.000 0.422 492 S N 1.580 117.270 115.700 -0.018 0.000 2.617 492 S HA 0.216 4.686 4.470 -0.000 0.000 0.259 492 S C 1.009 175.603 174.600 -0.011 0.000 1.301 492 S CA -0.609 57.584 58.200 -0.011 0.000 0.984 492 S CB 1.107 64.301 63.200 -0.011 0.000 0.954 492 S HN 0.584 nan 8.310 nan 0.000 0.572 493 K N 0.412 120.811 120.400 -0.002 0.000 2.152 493 K HA -0.132 4.188 4.320 -0.000 0.000 0.206 493 K C 1.915 178.513 176.600 -0.003 0.000 1.048 493 K CA 1.697 57.985 56.287 0.003 0.000 0.933 493 K CB -0.224 32.281 32.500 0.008 0.000 0.721 493 K HN 0.582 nan 8.250 nan 0.000 0.447 494 E N 0.896 121.090 120.200 -0.009 0.000 2.072 494 E HA -0.071 4.279 4.350 -0.000 0.000 0.190 494 E C 1.860 178.444 176.600 -0.028 0.000 0.982 494 E CA 0.722 57.115 56.400 -0.012 0.000 0.803 494 E CB -0.111 29.583 29.700 -0.010 0.000 0.755 494 E HN 0.149 nan 8.360 nan 0.000 0.453 495 L N 0.191 121.390 121.223 -0.040 0.000 2.083 495 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 495 L C 2.219 179.024 176.870 -0.108 0.000 1.083 495 L CA 0.864 55.663 54.840 -0.069 0.000 0.752 495 L CB -0.353 41.665 42.059 -0.068 0.000 0.899 495 L HN 0.169 nan 8.230 nan 0.000 0.433 496 L N -0.678 120.491 121.223 -0.089 0.000 2.017 496 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 496 L C 2.875 179.692 176.870 -0.089 0.000 1.073 496 L CA 1.287 56.058 54.840 -0.114 0.000 0.745 496 L CB -0.747 41.301 42.059 -0.017 0.000 0.894 496 L HN 0.249 nan 8.230 nan 0.000 0.432 497 A N -0.635 122.169 122.820 -0.028 0.000 1.902 497 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 497 A C 2.501 180.071 177.584 -0.023 0.000 1.181 497 A CA 2.122 54.160 52.037 0.001 0.000 0.623 497 A CB -0.675 18.333 19.000 0.013 0.000 0.818 497 A HN 0.391 nan 8.150 nan 0.000 0.443 498 S N -0.519 115.151 115.700 -0.050 0.000 2.353 498 S HA -0.179 4.291 4.470 -0.000 0.000 0.222 498 S C 1.844 176.373 174.600 -0.118 0.000 1.035 498 S CA 1.636 59.800 58.200 -0.060 0.000 1.025 498 S CB -0.469 62.695 63.200 -0.059 0.000 0.902 498 S HN 0.461 nan 8.310 nan 0.000 0.440 499 L N 1.785 122.893 121.223 -0.191 0.000 2.201 499 L HA 0.046 4.386 4.340 -0.000 0.000 0.212 499 L C 2.104 178.834 176.870 -0.233 0.000 1.105 499 L CA 1.610 56.276 54.840 -0.291 0.000 0.775 499 L CB -0.417 41.342 42.059 -0.500 0.000 0.913 499 L HN 0.164 nan 8.230 nan 0.000 0.440 500 K N -1.490 118.839 120.400 -0.118 0.000 2.025 500 K HA -0.163 4.157 4.320 -0.000 0.000 0.207 500 K C 2.311 178.960 176.600 0.081 0.000 1.049 500 K CA 1.474 57.826 56.287 0.107 0.000 0.933 500 K CB -0.212 32.404 32.500 0.194 0.000 0.714 500 K HN 0.334 nan 8.250 nan 0.000 0.438 501 S N -0.276 115.451 115.700 0.045 0.000 2.428 501 S HA -0.020 4.450 4.470 -0.000 0.000 0.230 501 S C 1.867 176.502 174.600 0.058 0.000 1.014 501 S CA 0.947 59.187 58.200 0.066 0.000 0.957 501 S CB -0.157 63.081 63.200 0.063 0.000 0.784 501 S HN 0.436 nan 8.310 nan 0.000 0.499 502 A N 0.516 123.308 122.820 -0.046 0.000 1.969 502 A HA 0.002 4.322 4.320 -0.000 0.000 0.218 502 A C 2.296 179.993 177.584 0.189 0.000 1.169 502 A CA 2.000 53.952 52.037 -0.141 0.000 0.635 502 A CB -1.245 17.426 19.000 -0.549 0.000 0.810 502 A HN 0.575 nan 8.150 nan 0.000 0.445 503 T N -0.202 114.434 114.554 0.137 0.000 2.809 503 T HA -0.080 4.270 4.350 -0.000 0.000 0.260 503 T C 1.771 176.523 174.700 0.087 0.000 1.039 503 T CA 1.463 63.609 62.100 0.077 0.000 1.141 503 T CB -0.216 68.552 68.868 -0.166 0.000 0.869 503 T HN 0.630 nan 8.240 nan 0.000 0.437 504 E N 1.031 121.303 120.200 0.119 0.000 2.118 504 E HA -0.124 4.226 4.350 -0.000 0.000 0.195 504 E C 2.438 179.116 176.600 0.129 0.000 0.992 504 E CA 1.100 57.606 56.400 0.177 0.000 0.804 504 E CB -0.181 29.631 29.700 0.185 0.000 0.741 504 E HN 0.279 nan 8.360 nan 0.000 0.458 505 S N -0.046 115.744 115.700 0.150 0.000 2.370 505 S HA -0.201 4.269 4.470 -0.000 0.000 0.226 505 S C 1.674 176.303 174.600 0.049 0.000 1.033 505 S CA 1.146 59.430 58.200 0.140 0.000 1.011 505 S CB -0.256 63.102 63.200 0.264 0.000 0.852 505 S HN 0.328 nan 8.310 nan 0.000 0.457 506 F N 1.569 121.451 119.950 -0.112 0.000 2.206 506 F HA 0.021 4.548 4.527 -0.000 0.000 0.298 506 F C 2.071 177.786 175.800 -0.141 0.000 1.090 506 F CA 1.054 58.880 58.000 -0.291 0.000 1.323 506 F CB -0.482 38.322 39.000 -0.327 0.000 1.028 506 F HN 0.024 nan 8.300 nan 0.000 0.492 507 V N 0.959 120.894 119.914 0.035 0.000 2.220 507 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 507 V C 1.625 177.669 176.094 -0.083 0.000 1.049 507 V CA 1.294 63.613 62.300 0.032 0.000 1.003 507 V CB -1.668 30.219 31.823 0.107 0.000 0.634 507 V HN 0.361 nan 8.190 nan 0.000 0.444 508 A N 0.722 123.508 122.820 -0.057 0.000 2.524 508 A HA 0.283 4.603 4.320 -0.000 0.000 0.271 508 A C 0.899 178.399 177.584 -0.140 0.000 1.097 508 A CA 0.845 52.840 52.037 -0.071 0.000 0.791 508 A CB -1.146 17.834 19.000 -0.034 0.000 1.028 508 A HN 0.673 nan 8.150 nan 0.000 0.518 509 T N 0.000 114.469 114.554 -0.142 0.000 3.816 509 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 509 T CA 0.000 61.984 62.100 -0.193 0.000 1.349 509 T CB 0.000 68.784 68.868 -0.139 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658