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 3oe7_1_U DATA FIRST_RESID 26 DATA SEQUENCE NLNETGRVLA VGDGIARVFG LNNIQAEELV EFSSGVKGMA LNLEPGQVGI DATA SEQUENCE VLFGSDRLVK EGELVKRTGN IVDVPVGPGL LGRVVDALGN PIDGKGPIDA DATA SEQUENCE AGRSRAQVKA PGILPRRSVH EPVQTGLKAV DALVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTAVALDTI LNQKRWNNGS DESKKLYCVY VAVGQKRSTV AQLVQTLEQH DATA SEQUENCE DAMKYSIIVA ATASEAAPLQ YLAPFTAASI GEWFRDNGKH ALIVYDDLSK DATA SEQUENCE QAVAYRQLSL LLRRPPGREA YPGDVFYLHS RLLERAAKLS EKEGSGSLTA DATA SEQUENCE LPVIETQGGD VSAYIPTNVI SITDGQIFLE AELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQVKAL KQVAGSLKLF LAQYREVAAF AQXXXDLDAS TKQTLVRGER DATA SEQUENCE LTQLLKQNQY SPLATEEQVP LIYAGVNGHL DGIELSRIGE FESSFLSYLK DATA SEQUENCE SNHNELLTEI REKGELSKEL LASLKSATES FVAT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 26 N HA 0.000 nan 4.740 nan 0.000 0.220 26 N C 0.000 175.499 175.510 -0.018 0.000 1.280 26 N CA 0.000 53.044 53.050 -0.010 0.000 0.885 26 N CB 0.000 38.480 38.487 -0.012 0.000 1.341 27 L N 1.647 122.854 121.223 -0.027 0.000 2.492 27 L HA 0.184 4.524 4.340 0.000 0.000 0.223 27 L C 1.539 178.361 176.870 -0.080 0.000 1.132 27 L CA 0.178 54.984 54.840 -0.056 0.000 0.850 27 L CB -0.101 41.910 42.059 -0.080 0.000 0.966 27 L HN 0.517 nan 8.230 nan 0.000 0.454 28 N N 0.031 118.695 118.700 -0.060 0.000 2.135 28 N HA -0.141 4.599 4.740 0.000 0.000 0.186 28 N C 1.658 177.135 175.510 -0.056 0.000 1.027 28 N CA 1.206 54.221 53.050 -0.060 0.000 0.849 28 N CB 0.127 38.588 38.487 -0.044 0.000 1.002 28 N HN 0.228 nan 8.380 nan 0.000 0.425 29 E N -0.231 119.942 120.200 -0.045 0.000 2.340 29 E HA 0.052 4.402 4.350 0.000 0.000 0.194 29 E C 0.599 177.169 176.600 -0.051 0.000 0.996 29 E CA 0.362 56.737 56.400 -0.042 0.000 0.869 29 E CB 0.315 29.997 29.700 -0.029 0.000 0.835 29 E HN 0.461 nan 8.360 nan 0.000 0.493 30 T N -2.446 112.076 114.554 -0.054 0.000 2.887 30 T HA 0.790 5.140 4.350 0.000 0.000 0.292 30 T C 0.231 174.889 174.700 -0.070 0.000 1.087 30 T CA -0.618 61.444 62.100 -0.063 0.000 1.009 30 T CB 2.511 71.352 68.868 -0.046 0.000 1.203 30 T HN 0.022 nan 8.240 nan 0.000 0.518 31 G N -0.168 108.584 108.800 -0.080 0.000 2.660 31 G HA2 0.662 4.622 3.960 0.000 0.000 0.290 31 G HA3 0.662 4.622 3.960 0.000 0.000 0.290 31 G C -1.746 173.127 174.900 -0.046 0.000 1.432 31 G CA -1.078 43.989 45.100 -0.056 0.000 0.807 31 G HN 0.777 nan 8.290 nan 0.000 0.485 32 R N -0.720 119.796 120.500 0.027 0.000 2.803 32 R HA 0.592 4.932 4.340 0.000 0.000 0.276 32 R C -0.703 175.617 176.300 0.035 0.000 0.978 32 R CA -0.827 55.284 56.100 0.018 0.000 0.939 32 R CB 2.624 32.948 30.300 0.040 0.000 1.179 32 R HN 0.328 nan 8.270 nan 0.000 0.472 33 V N 4.430 124.355 119.914 0.018 0.000 2.479 33 V HA 0.005 4.125 4.120 0.000 0.000 0.281 33 V C 1.351 177.473 176.094 0.046 0.000 1.031 33 V CA 0.362 62.688 62.300 0.043 0.000 1.038 33 V CB 0.761 32.631 31.823 0.078 0.000 0.981 33 V HN 0.711 nan 8.190 nan 0.000 0.478 34 L N 4.336 125.593 121.223 0.056 0.000 2.062 34 L HA 0.353 4.693 4.340 0.000 0.000 0.202 34 L C 1.051 177.940 176.870 0.032 0.000 1.079 34 L CA 1.528 56.391 54.840 0.038 0.000 0.755 34 L CB -0.090 42.002 42.059 0.054 0.000 0.913 34 L HN 0.760 nan 8.230 nan 0.000 0.445 35 A N -1.146 121.700 122.820 0.044 0.000 2.475 35 A HA 0.683 5.003 4.320 0.000 0.000 0.301 35 A C -1.603 176.013 177.584 0.053 0.000 1.059 35 A CA -0.381 51.679 52.037 0.039 0.000 0.710 35 A CB 2.064 21.080 19.000 0.027 0.000 1.288 35 A HN -0.121 nan 8.150 nan 0.000 0.408 36 V N 0.299 120.241 119.914 0.046 0.000 2.971 36 V HA 0.949 5.069 4.120 0.000 0.000 0.309 36 V C -0.189 175.919 176.094 0.024 0.000 1.130 36 V CA 0.748 63.077 62.300 0.049 0.000 0.964 36 V CB 2.140 34.006 31.823 0.071 0.000 1.029 36 V HN 2.338 nan 8.190 nan 0.000 0.427 37 G N 3.063 111.872 108.800 0.014 0.000 2.405 37 G HA2 0.445 4.405 3.960 0.000 0.000 0.303 37 G HA3 0.445 4.405 3.960 0.000 0.000 0.303 37 G C -0.821 174.077 174.900 -0.003 0.000 1.644 37 G CA 0.045 45.147 45.100 0.003 0.000 0.899 37 G HN 0.975 nan 8.290 nan 0.000 0.667 38 D N -0.351 120.044 120.400 -0.007 0.000 2.772 38 D HA -0.167 4.473 4.640 0.000 0.000 0.233 38 D C 1.559 177.853 176.300 -0.010 0.000 1.143 38 D CA 2.692 56.687 54.000 -0.008 0.000 0.700 38 D CB -1.152 39.643 40.800 -0.008 0.000 1.076 38 D HN 2.365 nan 8.370 nan 0.000 0.430 39 G N -0.741 108.048 108.800 -0.018 0.000 2.147 39 G HA2 -0.283 3.677 3.960 0.000 0.000 0.244 39 G HA3 -0.283 3.677 3.960 0.000 0.000 0.244 39 G C 0.172 175.059 174.900 -0.021 0.000 1.005 39 G CA 0.432 45.518 45.100 -0.023 0.000 0.713 39 G HN 0.490 nan 8.290 nan 0.000 0.515 40 I N 0.021 120.584 120.570 -0.012 0.000 2.608 40 I HA 0.797 4.968 4.170 0.000 0.000 0.295 40 I C 0.174 176.312 176.117 0.036 0.000 1.049 40 I CA -0.883 60.422 61.300 0.007 0.000 1.063 40 I CB 1.790 39.792 38.000 0.003 0.000 1.248 40 I HN 0.585 nan 8.210 nan 0.000 0.424 41 A N 6.028 128.896 122.820 0.080 0.000 2.437 41 A HA 0.697 5.017 4.320 0.000 0.000 0.293 41 A C -0.672 176.976 177.584 0.107 0.000 1.038 41 A CA -0.713 51.404 52.037 0.132 0.000 0.708 41 A CB 1.361 20.533 19.000 0.287 0.000 1.251 41 A HN 0.705 nan 8.150 nan 0.000 0.409 42 R N 1.118 121.664 120.500 0.076 0.000 2.254 42 R HA 0.576 4.916 4.340 0.000 0.000 0.318 42 R C -1.106 175.230 176.300 0.060 0.000 1.031 42 R CA -0.236 55.898 56.100 0.056 0.000 0.905 42 R CB 1.577 31.905 30.300 0.047 0.000 1.050 42 R HN 0.436 nan 8.270 nan 0.000 0.456 43 V N 5.011 124.949 119.914 0.040 0.000 2.483 43 V HA 0.234 4.354 4.120 0.000 0.000 0.297 43 V C -0.663 175.468 176.094 0.061 0.000 1.027 43 V CA -0.865 61.452 62.300 0.029 0.000 0.855 43 V CB 1.484 33.265 31.823 -0.069 0.000 0.995 43 V HN 0.580 nan 8.190 nan 0.000 0.424 44 F N 5.001 124.925 119.950 -0.044 0.000 2.504 44 F HA 0.641 5.168 4.527 0.000 0.000 0.369 44 F C 0.910 176.682 175.800 -0.046 0.000 1.082 44 F CA 1.714 59.692 58.000 -0.037 0.000 1.216 44 F CB 0.456 39.439 39.000 -0.029 0.000 1.108 44 F HN 0.874 nan 8.300 nan 0.000 0.554 45 G N 4.203 112.651 108.800 -0.588 0.000 2.408 45 G HA2 -0.143 3.817 3.960 0.000 0.000 0.204 45 G HA3 -0.143 3.817 3.960 0.000 0.000 0.204 45 G C 0.076 174.821 174.900 -0.258 0.000 1.186 45 G CA -0.504 44.327 45.100 -0.449 0.000 1.139 45 G HN 1.223 nan 8.290 nan 0.000 0.563 46 L N -0.005 121.115 121.223 -0.172 0.000 3.737 46 L HA -0.235 4.105 4.340 0.000 0.000 0.418 46 L C 1.622 178.422 176.870 -0.116 0.000 1.216 46 L CA 0.591 55.356 54.840 -0.125 0.000 0.915 46 L CB -1.410 40.581 42.059 -0.113 0.000 1.834 46 L HN 0.634 nan 8.230 nan 0.000 0.943 47 N N -0.124 118.498 118.700 -0.130 0.000 2.348 47 N HA -0.147 4.593 4.740 0.000 0.000 0.185 47 N C 1.453 176.918 175.510 -0.074 0.000 1.019 47 N CA 1.396 54.380 53.050 -0.109 0.000 0.880 47 N CB -0.259 38.159 38.487 -0.114 0.000 0.965 47 N HN 0.510 nan 8.380 nan 0.000 0.437 48 N N 0.569 119.230 118.700 -0.065 0.000 2.336 48 N HA 0.125 4.865 4.740 0.000 0.000 0.189 48 N C 0.058 175.543 175.510 -0.041 0.000 1.113 48 N CA -0.177 52.845 53.050 -0.047 0.000 0.858 48 N CB 0.278 38.740 38.487 -0.041 0.000 0.970 48 N HN 0.255 nan 8.380 nan 0.000 0.471 49 I N 1.274 121.816 120.570 -0.048 0.000 2.634 49 I HA -0.040 4.130 4.170 0.000 0.000 0.284 49 I C 0.310 176.408 176.117 -0.031 0.000 1.124 49 I CA -0.284 60.991 61.300 -0.041 0.000 1.417 49 I CB 0.669 38.638 38.000 -0.051 0.000 1.396 49 I HN 0.119 nan 8.210 nan 0.000 0.571 50 Q N 4.734 124.521 119.800 -0.021 0.000 2.368 50 Q HA 0.431 4.771 4.340 0.000 0.000 0.237 50 Q C -0.282 175.710 176.000 -0.013 0.000 0.987 50 Q CA -0.751 55.044 55.803 -0.013 0.000 0.896 50 Q CB 1.138 29.873 28.738 -0.005 0.000 1.241 50 Q HN 0.758 nan 8.270 nan 0.000 0.485 51 A N 1.773 124.589 122.820 -0.008 0.000 2.409 51 A HA 0.154 4.474 4.320 0.000 0.000 0.267 51 A C 0.173 177.760 177.584 0.005 0.000 1.127 51 A CA 0.038 52.072 52.037 -0.004 0.000 0.795 51 A CB 0.084 19.084 19.000 -0.001 0.000 1.061 51 A HN 0.965 nan 8.150 nan 0.000 0.502 52 E N -0.280 119.924 120.200 0.006 0.000 3.763 52 E HA -0.173 4.177 4.350 0.000 0.000 0.319 52 E C 0.178 176.791 176.600 0.020 0.000 0.804 52 E CA 1.174 57.585 56.400 0.019 0.000 1.196 52 E CB -1.136 28.583 29.700 0.031 0.000 1.607 52 E HN 0.936 nan 8.360 nan 0.000 0.431 53 E N 0.732 120.934 120.200 0.005 0.000 2.390 53 E HA 0.266 4.616 4.350 0.000 0.000 0.261 53 E C -0.256 176.343 176.600 -0.002 0.000 1.076 53 E CA -0.400 56.004 56.400 0.008 0.000 0.905 53 E CB 0.649 30.348 29.700 -0.003 0.000 0.984 53 E HN 0.085 nan 8.360 nan 0.000 0.427 54 L N 4.678 125.913 121.223 0.021 0.000 2.349 54 L HA 0.240 4.580 4.340 0.000 0.000 0.275 54 L C -0.797 176.078 176.870 0.007 0.000 1.115 54 L CA -0.153 54.700 54.840 0.022 0.000 0.820 54 L CB 1.124 43.239 42.059 0.093 0.000 1.135 54 L HN 0.329 nan 8.230 nan 0.000 0.445 55 V N 1.434 121.348 119.914 -0.000 0.000 2.864 55 V HA 0.680 4.800 4.120 0.000 0.000 0.314 55 V C -0.660 175.485 176.094 0.087 0.000 1.073 55 V CA -0.768 61.536 62.300 0.006 0.000 0.956 55 V CB 1.889 33.679 31.823 -0.055 0.000 1.023 55 V HN 0.809 nan 8.190 nan 0.000 0.435 56 E N 2.431 122.666 120.200 0.058 0.000 2.182 56 E HA 0.471 4.821 4.350 0.000 0.000 0.258 56 E C -1.590 175.077 176.600 0.112 0.000 0.879 56 E CA -0.487 55.996 56.400 0.139 0.000 0.754 56 E CB 1.867 31.623 29.700 0.093 0.000 1.162 56 E HN 0.648 nan 8.360 nan 0.000 0.419 57 F N 1.745 121.699 119.950 0.006 0.000 2.495 57 F HA -0.053 4.474 4.527 0.000 0.000 0.365 57 F C 2.044 177.852 175.800 0.014 0.000 1.090 57 F CA 0.006 58.011 58.000 0.008 0.000 1.235 57 F CB 0.872 39.877 39.000 0.009 0.000 1.119 57 F HN 0.446 nan 8.300 nan 0.000 0.562 58 S N 0.122 115.899 115.700 0.128 0.000 2.419 58 S HA -0.201 4.269 4.470 0.000 0.000 0.233 58 S C 1.958 176.615 174.600 0.094 0.000 1.016 58 S CA 1.070 59.320 58.200 0.082 0.000 0.974 58 S CB -0.771 62.454 63.200 0.042 0.000 0.786 58 S HN 0.684 nan 8.310 nan 0.000 0.492 59 S N 0.325 116.100 115.700 0.125 0.000 2.561 59 S HA 0.446 4.916 4.470 0.000 0.000 0.225 59 S C 1.495 176.144 174.600 0.081 0.000 0.977 59 S CA 0.740 58.995 58.200 0.092 0.000 0.926 59 S CB -0.292 62.961 63.200 0.089 0.000 0.769 59 S HN 1.192 nan 8.310 nan 0.000 0.533 60 G N 0.070 108.934 108.800 0.106 0.000 3.465 60 G HA2 -0.150 3.810 3.960 0.000 0.000 0.196 60 G HA3 -0.150 3.810 3.960 0.000 0.000 0.196 60 G C 0.014 174.967 174.900 0.089 0.000 1.170 60 G CA -0.219 44.930 45.100 0.082 0.000 0.887 60 G HN 0.822 nan 8.290 nan 0.000 0.444 61 V N 3.080 123.027 119.914 0.055 0.000 2.599 61 V HA 0.468 4.588 4.120 0.000 0.000 0.300 61 V C 0.665 176.797 176.094 0.064 0.000 1.034 61 V CA 0.415 62.715 62.300 0.000 0.000 1.115 61 V CB 0.765 32.504 31.823 -0.140 0.000 0.934 61 V HN 0.415 nan 8.190 nan 0.000 0.485 62 K N 4.440 124.908 120.400 0.113 0.000 2.107 62 K HA 0.736 5.056 4.320 0.000 0.000 0.251 62 K C 0.173 176.833 176.600 0.098 0.000 1.012 62 K CA 0.315 56.715 56.287 0.188 0.000 0.920 62 K CB 1.316 33.980 32.500 0.273 0.000 1.033 62 K HN 0.972 nan 8.250 nan 0.000 0.478 63 G N 0.221 109.019 108.800 -0.003 0.000 2.623 63 G HA2 0.519 4.479 3.960 0.000 0.000 0.290 63 G HA3 0.519 4.479 3.960 0.000 0.000 0.290 63 G C -1.901 172.700 174.900 -0.498 0.000 1.437 63 G CA -0.804 44.112 45.100 -0.305 0.000 0.798 63 G HN 0.474 nan 8.290 nan 0.000 0.488 64 M N 1.127 120.375 119.600 -0.587 0.000 2.259 64 M HA 0.686 5.166 4.480 0.000 0.000 0.304 64 M C -0.504 175.699 176.300 -0.161 0.000 1.019 64 M CA -0.839 54.231 55.300 -0.383 0.000 0.922 64 M CB 1.939 34.259 32.600 -0.467 0.000 1.600 64 M HN 0.806 nan 8.290 nan 0.000 0.433 65 A N 5.653 128.423 122.820 -0.084 0.000 2.366 65 A HA 0.448 4.768 4.320 0.000 0.000 0.322 65 A C 0.108 177.674 177.584 -0.030 0.000 1.397 65 A CA -0.485 51.524 52.037 -0.046 0.000 0.984 65 A CB -0.040 18.935 19.000 -0.042 0.000 1.149 65 A HN 1.095 nan 8.150 nan 0.000 0.540 66 L N 1.428 122.635 121.223 -0.026 0.000 2.253 66 L HA 0.099 4.439 4.340 0.000 0.000 0.205 66 L C 0.336 177.202 176.870 -0.007 0.000 1.078 66 L CA 0.369 55.203 54.840 -0.011 0.000 0.805 66 L CB 0.092 42.144 42.059 -0.012 0.000 0.963 66 L HN 0.555 nan 8.230 nan 0.000 0.459 67 N N 0.696 119.388 118.700 -0.013 0.000 2.422 67 N HA 0.394 5.134 4.740 0.000 0.000 0.266 67 N C -1.090 174.410 175.510 -0.016 0.000 1.007 67 N CA 0.040 53.084 53.050 -0.011 0.000 0.941 67 N CB 1.250 39.731 38.487 -0.010 0.000 1.115 67 N HN 0.001 nan 8.380 nan 0.000 0.492 68 L N 2.067 123.281 121.223 -0.016 0.000 2.318 68 L HA 0.460 4.800 4.340 0.000 0.000 0.277 68 L C 0.308 177.166 176.870 -0.021 0.000 1.008 68 L CA -0.451 54.375 54.840 -0.024 0.000 0.846 68 L CB 1.206 43.250 42.059 -0.026 0.000 1.220 68 L HN 0.331 nan 8.230 nan 0.000 0.423 69 E N 2.673 122.860 120.200 -0.022 0.000 2.316 69 E HA 0.424 4.774 4.350 0.000 0.000 0.258 69 E C -1.727 174.861 176.600 -0.021 0.000 0.952 69 E CA -1.637 54.755 56.400 -0.015 0.000 0.818 69 E CB 1.596 31.293 29.700 -0.005 0.000 1.260 69 E HN 0.242 nan 8.360 nan 0.000 0.416 70 P HA -0.197 nan 4.420 nan 0.000 0.209 70 P C 0.895 178.180 177.300 -0.024 0.000 1.167 70 P CA 1.578 64.670 63.100 -0.013 0.000 0.941 70 P CB 0.014 31.716 31.700 0.003 0.000 0.787 71 G N -1.984 106.818 108.800 0.003 0.000 3.088 71 G HA2 0.115 4.075 3.960 0.000 0.000 0.217 71 G HA3 0.115 4.075 3.960 0.000 0.000 0.217 71 G C 0.275 175.161 174.900 -0.024 0.000 1.159 71 G CA 0.010 45.115 45.100 0.010 0.000 0.760 71 G HN 0.512 nan 8.290 nan 0.000 0.550 72 Q N -1.230 118.563 119.800 -0.013 0.000 2.553 72 Q HA 0.699 5.039 4.340 0.000 0.000 0.293 72 Q C -1.883 174.100 176.000 -0.028 0.000 1.038 72 Q CA -0.977 54.827 55.803 0.002 0.000 0.777 72 Q CB 2.239 31.025 28.738 0.080 0.000 1.487 72 Q HN -0.104 nan 8.270 nan 0.000 0.426 73 V N 0.332 120.231 119.914 -0.024 0.000 2.604 73 V HA 0.735 4.855 4.120 0.000 0.000 0.305 73 V C 0.032 176.122 176.094 -0.008 0.000 1.043 73 V CA -0.403 61.879 62.300 -0.030 0.000 0.888 73 V CB 1.759 33.549 31.823 -0.056 0.000 0.995 73 V HN 0.866 nan 8.190 nan 0.000 0.429 74 G N 4.369 113.164 108.800 -0.008 0.000 2.319 74 G HA2 0.712 4.672 3.960 0.000 0.000 0.308 74 G HA3 0.712 4.672 3.960 0.000 0.000 0.308 74 G C -0.869 174.031 174.900 0.000 0.000 1.117 74 G CA -0.281 44.820 45.100 0.002 0.000 0.903 74 G HN 0.585 nan 8.290 nan 0.000 0.436 75 I N 2.347 122.931 120.570 0.023 0.000 2.533 75 I HA 0.313 4.483 4.170 0.000 0.000 0.290 75 I C 0.138 176.271 176.117 0.026 0.000 1.056 75 I CA -1.246 60.073 61.300 0.033 0.000 1.057 75 I CB 2.401 40.463 38.000 0.104 0.000 1.240 75 I HN 0.404 nan 8.210 nan 0.000 0.423 76 V N 4.463 124.357 119.914 -0.034 0.000 2.644 76 V HA 0.579 4.699 4.120 0.000 0.000 0.295 76 V C -0.386 175.643 176.094 -0.109 0.000 1.053 76 V CA -0.700 61.568 62.300 -0.054 0.000 0.987 76 V CB 1.557 33.350 31.823 -0.050 0.000 1.006 76 V HN 0.537 nan 8.190 nan 0.000 0.472 77 L N 3.897 125.068 121.223 -0.086 0.000 2.264 77 L HA 0.420 4.760 4.340 0.000 0.000 0.289 77 L C 0.689 177.583 176.870 0.041 0.000 1.044 77 L CA -0.378 54.382 54.840 -0.133 0.000 0.807 77 L CB 1.109 43.046 42.059 -0.203 0.000 1.192 77 L HN 0.618 nan 8.230 nan 0.000 0.425 78 F N 1.662 121.597 119.950 -0.026 0.000 2.451 78 F HA 0.051 4.578 4.527 0.000 0.000 0.299 78 F C 1.479 177.272 175.800 -0.010 0.000 1.101 78 F CA 0.212 58.218 58.000 0.009 0.000 1.436 78 F CB -0.377 38.642 39.000 0.033 0.000 1.074 78 F HN 0.519 nan 8.300 nan 0.000 0.553 79 G N -1.713 107.165 108.800 0.129 0.000 3.259 79 G HA2 0.364 4.324 3.960 0.000 0.000 0.178 79 G HA3 0.364 4.324 3.960 0.000 0.000 0.178 79 G C -0.665 174.231 174.900 -0.007 0.000 1.129 79 G CA -0.188 44.941 45.100 0.049 0.000 0.816 79 G HN 0.026 nan 8.290 nan 0.000 0.634 80 S N -0.366 115.318 115.700 -0.028 0.000 2.669 80 S HA 0.410 4.880 4.470 0.000 0.000 0.270 80 S C -0.231 174.317 174.600 -0.087 0.000 1.225 80 S CA 0.163 58.339 58.200 -0.041 0.000 0.991 80 S CB 1.058 64.245 63.200 -0.023 0.000 0.987 80 S HN 0.608 nan 8.310 nan 0.000 0.552 81 D N 0.924 121.280 120.400 -0.073 0.000 2.720 81 D HA 0.188 4.828 4.640 0.000 0.000 0.285 81 D C 0.824 177.099 176.300 -0.043 0.000 1.359 81 D CA -0.326 53.621 54.000 -0.087 0.000 0.818 81 D CB -0.207 40.540 40.800 -0.090 0.000 1.108 81 D HN 0.449 nan 8.370 nan 0.000 0.474 82 R N -0.106 120.375 120.500 -0.031 0.000 2.096 82 R HA 0.077 4.417 4.340 0.000 0.000 0.235 82 R C 1.266 177.561 176.300 -0.008 0.000 1.127 82 R CA 1.002 57.094 56.100 -0.014 0.000 0.968 82 R CB -0.094 30.201 30.300 -0.009 0.000 0.861 82 R HN 0.186 nan 8.270 nan 0.000 0.440 83 L N 0.490 121.705 121.223 -0.014 0.000 2.965 83 L HA 0.251 4.591 4.340 0.000 0.000 0.254 83 L C -0.710 176.171 176.870 0.018 0.000 1.220 83 L CA -0.407 54.435 54.840 0.004 0.000 1.023 83 L CB 1.243 43.306 42.059 0.006 0.000 1.355 83 L HN -0.132 nan 8.230 nan 0.000 0.545 84 V N 0.350 120.269 119.914 0.009 0.000 2.417 84 V HA 0.408 4.528 4.120 0.000 0.000 0.291 84 V C 0.027 176.160 176.094 0.065 0.000 1.024 84 V CA -0.632 61.703 62.300 0.058 0.000 0.861 84 V CB 1.778 33.609 31.823 0.014 0.000 0.985 84 V HN 0.226 nan 8.190 nan 0.000 0.436 85 K N 2.158 122.609 120.400 0.085 0.000 2.378 85 K HA 0.533 4.853 4.320 0.000 0.000 0.244 85 K C -0.523 176.117 176.600 0.067 0.000 1.039 85 K CA -0.960 55.364 56.287 0.061 0.000 0.863 85 K CB 2.191 34.717 32.500 0.044 0.000 1.326 85 K HN 0.738 nan 8.250 nan 0.000 0.460 86 E N 0.147 120.373 120.200 0.044 0.000 2.324 86 E HA 0.171 4.521 4.350 0.000 0.000 0.271 86 E C 0.229 176.845 176.600 0.026 0.000 1.028 86 E CA 0.539 56.959 56.400 0.034 0.000 0.890 86 E CB 0.193 29.904 29.700 0.018 0.000 1.004 86 E HN 0.735 nan 8.360 nan 0.000 0.431 87 G N 3.768 112.582 108.800 0.024 0.000 2.144 87 G HA2 -0.282 3.678 3.960 0.000 0.000 0.218 87 G HA3 -0.282 3.678 3.960 0.000 0.000 0.218 87 G C 0.016 174.930 174.900 0.022 0.000 0.988 87 G CA 0.167 45.276 45.100 0.015 0.000 0.659 87 G HN 0.607 nan 8.290 nan 0.000 0.522 88 E N 0.017 120.239 120.200 0.037 0.000 2.259 88 E HA 0.581 4.931 4.350 0.000 0.000 0.281 88 E C 0.715 177.315 176.600 -0.001 0.000 1.027 88 E CA -0.809 55.617 56.400 0.044 0.000 0.838 88 E CB 0.761 30.523 29.700 0.103 0.000 1.066 88 E HN 0.356 nan 8.360 nan 0.000 0.401 89 L N 4.320 125.537 121.223 -0.009 0.000 2.461 89 L HA 0.211 4.551 4.340 0.000 0.000 0.272 89 L C -1.169 175.622 176.870 -0.131 0.000 1.197 89 L CA -0.119 54.692 54.840 -0.048 0.000 0.836 89 L CB 0.722 42.769 42.059 -0.021 0.000 1.105 89 L HN 0.333 nan 8.230 nan 0.000 0.477 90 V N 4.372 124.174 119.914 -0.187 0.000 2.569 90 V HA 0.406 4.526 4.120 0.000 0.000 0.301 90 V C -0.530 175.449 176.094 -0.192 0.000 1.044 90 V CA -0.942 61.165 62.300 -0.322 0.000 0.874 90 V CB 1.629 33.126 31.823 -0.543 0.000 1.002 90 V HN 0.696 nan 8.190 nan 0.000 0.424 91 K N 3.219 123.535 120.400 -0.141 0.000 2.118 91 K HA 0.655 4.975 4.320 0.000 0.000 0.254 91 K C -0.082 176.478 176.600 -0.066 0.000 0.961 91 K CA -0.887 55.354 56.287 -0.077 0.000 0.876 91 K CB 2.245 34.725 32.500 -0.034 0.000 1.077 91 K HN 0.521 nan 8.250 nan 0.000 0.440 92 R N -0.050 120.421 120.500 -0.049 0.000 2.747 92 R HA 0.138 4.478 4.340 0.000 0.000 0.278 92 R C 0.577 176.870 176.300 -0.011 0.000 1.153 92 R CA 0.259 56.339 56.100 -0.034 0.000 1.206 92 R CB 0.613 30.894 30.300 -0.032 0.000 1.161 92 R HN 0.660 nan 8.270 nan 0.000 0.589 93 T N -1.694 112.859 114.554 -0.002 0.000 3.177 93 T HA 0.189 4.539 4.350 0.000 0.000 0.262 93 T C 0.861 175.567 174.700 0.011 0.000 0.959 93 T CA 0.413 62.520 62.100 0.013 0.000 0.996 93 T CB 0.809 69.695 68.868 0.030 0.000 1.185 93 T HN 0.830 nan 8.240 nan 0.000 0.486 94 G N 2.069 110.873 108.800 0.006 0.000 2.213 94 G HA2 -0.202 3.758 3.960 0.000 0.000 0.236 94 G HA3 -0.202 3.758 3.960 0.000 0.000 0.236 94 G C -0.172 174.736 174.900 0.012 0.000 0.991 94 G CA -0.076 45.028 45.100 0.005 0.000 0.629 94 G HN 0.579 nan 8.290 nan 0.000 0.517 95 N N 0.782 119.494 118.700 0.021 0.000 2.321 95 N HA 0.630 5.370 4.740 0.000 0.000 0.299 95 N C -0.092 175.441 175.510 0.038 0.000 1.048 95 N CA -1.085 51.982 53.050 0.029 0.000 0.836 95 N CB 1.641 40.149 38.487 0.035 0.000 1.269 95 N HN 0.039 nan 8.380 nan 0.000 0.486 96 I N 1.835 122.426 120.570 0.036 0.000 2.588 96 I HA 0.035 4.205 4.170 0.000 0.000 0.283 96 I C 0.659 176.817 176.117 0.067 0.000 1.119 96 I CA -0.470 60.858 61.300 0.046 0.000 1.419 96 I CB 0.188 38.208 38.000 0.033 0.000 1.394 96 I HN 0.326 nan 8.210 nan 0.000 0.562 97 V N 6.699 126.676 119.914 0.105 0.000 2.742 97 V HA -0.111 4.009 4.120 0.000 0.000 0.302 97 V C 0.249 176.399 176.094 0.095 0.000 1.133 97 V CA 0.452 62.839 62.300 0.145 0.000 1.284 97 V CB -0.730 31.245 31.823 0.253 0.000 0.850 97 V HN 0.937 nan 8.190 nan 0.000 0.494 98 D N 3.495 123.942 120.400 0.079 0.000 2.570 98 D HA 0.714 5.354 4.640 0.000 0.000 0.244 98 D C -0.578 175.744 176.300 0.036 0.000 1.178 98 D CA -0.625 53.406 54.000 0.051 0.000 0.881 98 D CB 2.117 42.942 40.800 0.041 0.000 1.453 98 D HN 0.562 nan 8.370 nan 0.000 0.447 99 V N -4.575 115.353 119.914 0.023 0.000 3.102 99 V HA 0.789 4.909 4.120 0.000 0.000 0.312 99 V C -2.876 173.211 176.094 -0.011 0.000 1.135 99 V CA -2.373 59.928 62.300 0.003 0.000 1.022 99 V CB 1.993 33.813 31.823 -0.005 0.000 1.056 99 V HN 0.558 nan 8.190 nan 0.000 0.436 100 P HA 0.338 nan 4.420 nan 0.000 0.271 100 P C -0.489 176.750 177.300 -0.101 0.000 1.216 100 P CA 0.138 63.200 63.100 -0.063 0.000 0.771 100 P CB 1.288 32.945 31.700 -0.070 0.000 0.864 101 V N 0.223 120.049 119.914 -0.147 0.000 2.864 101 V HA 1.035 5.155 4.120 0.000 0.000 0.314 101 V C -0.035 175.710 176.094 -0.583 0.000 1.073 101 V CA -0.419 61.722 62.300 -0.264 0.000 0.956 101 V CB 1.532 33.287 31.823 -0.113 0.000 1.023 101 V HN 0.943 nan 8.190 nan 0.000 0.435 102 G N 2.856 111.075 108.800 -0.969 0.000 2.352 102 G HA2 0.375 4.335 3.960 0.000 0.000 0.302 102 G HA3 0.375 4.335 3.960 0.000 0.000 0.302 102 G C -2.794 171.380 174.900 -1.210 0.000 1.370 102 G CA 0.109 44.304 45.100 -1.508 0.000 0.918 102 G HN 0.615 nan 8.290 nan 0.000 0.610 103 P HA 0.092 nan 4.420 nan 0.000 0.233 103 P C 1.611 178.745 177.300 -0.277 0.000 1.167 103 P CA 1.372 64.121 63.100 -0.586 0.000 0.770 103 P CB 0.120 31.586 31.700 -0.389 0.000 0.837 104 G N 0.016 108.643 108.800 -0.289 0.000 2.650 104 G HA2 -0.081 3.879 3.960 0.000 0.000 0.214 104 G HA3 -0.081 3.879 3.960 0.000 0.000 0.214 104 G C 1.213 176.046 174.900 -0.112 0.000 1.136 104 G CA 0.089 45.093 45.100 -0.160 0.000 0.789 104 G HN 0.182 nan 8.290 nan 0.000 0.536 105 L N 0.414 121.561 121.223 -0.127 0.000 2.492 105 L HA 0.297 4.637 4.340 0.000 0.000 0.223 105 L C 1.326 178.188 176.870 -0.013 0.000 1.132 105 L CA 0.068 54.867 54.840 -0.069 0.000 0.850 105 L CB -0.234 41.778 42.059 -0.079 0.000 0.966 105 L HN 0.105 nan 8.230 nan 0.000 0.454 106 L N 0.097 121.330 121.223 0.015 0.000 2.543 106 L HA 0.078 4.418 4.340 0.000 0.000 0.285 106 L C 1.580 178.463 176.870 0.022 0.000 1.236 106 L CA 0.773 55.648 54.840 0.058 0.000 0.871 106 L CB -0.296 41.830 42.059 0.112 0.000 1.121 106 L HN 0.450 nan 8.230 nan 0.000 0.501 107 G N 1.646 110.451 108.800 0.008 0.000 2.175 107 G HA2 -0.248 3.712 3.960 0.000 0.000 0.265 107 G HA3 -0.248 3.712 3.960 0.000 0.000 0.265 107 G C 0.266 175.154 174.900 -0.020 0.000 0.979 107 G CA -0.051 45.038 45.100 -0.019 0.000 0.663 107 G HN 0.496 nan 8.290 nan 0.000 0.533 108 R N -0.500 119.993 120.500 -0.012 0.000 2.711 108 R HA 0.627 4.967 4.340 0.000 0.000 0.284 108 R C -0.342 175.952 176.300 -0.010 0.000 0.968 108 R CA -0.816 55.275 56.100 -0.015 0.000 0.924 108 R CB 1.932 32.221 30.300 -0.019 0.000 1.162 108 R HN 0.146 nan 8.270 nan 0.000 0.465 109 V N 3.539 123.447 119.914 -0.011 0.000 2.350 109 V HA 0.293 4.413 4.120 0.000 0.000 0.276 109 V C 0.508 176.597 176.094 -0.008 0.000 1.028 109 V CA -0.687 61.610 62.300 -0.004 0.000 0.860 109 V CB 1.249 33.070 31.823 -0.004 0.000 0.990 109 V HN 0.580 nan 8.190 nan 0.000 0.453 110 V N 1.961 121.871 119.914 -0.007 0.000 3.096 110 V HA 0.802 4.922 4.120 0.000 0.000 0.319 110 V C -0.080 176.005 176.094 -0.015 0.000 1.103 110 V CA -0.735 61.556 62.300 -0.015 0.000 1.016 110 V CB 2.027 33.837 31.823 -0.022 0.000 1.090 110 V HN 0.770 nan 8.190 nan 0.000 0.449 111 D N 1.496 121.881 120.400 -0.025 0.000 2.496 111 D HA 0.471 5.111 4.640 0.000 0.000 0.283 111 D C 1.203 177.475 176.300 -0.048 0.000 1.214 111 D CA 0.091 54.071 54.000 -0.033 0.000 1.089 111 D CB 0.797 41.574 40.800 -0.038 0.000 1.141 111 D HN 0.781 nan 8.370 nan 0.000 0.580 112 A N -0.995 121.782 122.820 -0.072 0.000 2.015 112 A HA 0.017 4.337 4.320 0.000 0.000 0.219 112 A C 2.190 179.708 177.584 -0.110 0.000 1.163 112 A CA 0.977 52.958 52.037 -0.093 0.000 0.646 112 A CB -0.716 18.206 19.000 -0.130 0.000 0.806 112 A HN 0.479 nan 8.150 nan 0.000 0.448 113 L N -2.051 119.101 121.223 -0.119 0.000 2.693 113 L HA 0.351 4.691 4.340 0.000 0.000 0.235 113 L C 1.347 178.185 176.870 -0.052 0.000 1.127 113 L CA 0.440 55.217 54.840 -0.105 0.000 0.914 113 L CB 0.254 42.229 42.059 -0.140 0.000 1.193 113 L HN 0.483 nan 8.230 nan 0.000 0.502 114 G N 0.433 109.205 108.800 -0.046 0.000 2.130 114 G HA2 -0.222 3.738 3.960 0.000 0.000 0.216 114 G HA3 -0.222 3.738 3.960 0.000 0.000 0.216 114 G C -0.234 174.648 174.900 -0.031 0.000 0.999 114 G CA -0.518 44.560 45.100 -0.036 0.000 0.686 114 G HN 0.334 nan 8.290 nan 0.000 0.515 115 N N 2.112 120.794 118.700 -0.030 0.000 2.439 115 N HA 0.376 5.117 4.740 0.000 0.000 0.249 115 N C -2.631 172.867 175.510 -0.020 0.000 1.003 115 N CA -1.161 51.876 53.050 -0.022 0.000 0.942 115 N CB 1.861 40.337 38.487 -0.018 0.000 1.115 115 N HN 0.189 nan 8.380 nan 0.000 0.505 116 P HA 0.064 nan 4.420 nan 0.000 0.265 116 P C 0.579 177.871 177.300 -0.013 0.000 1.222 116 P CA 0.018 63.108 63.100 -0.017 0.000 0.767 116 P CB 0.337 32.027 31.700 -0.018 0.000 0.801 117 I N -0.010 120.554 120.570 -0.011 0.000 4.081 117 I HA 0.152 4.322 4.170 0.000 0.000 0.333 117 I C 0.670 176.782 176.117 -0.008 0.000 1.413 117 I CA -0.239 61.056 61.300 -0.008 0.000 1.110 117 I CB -0.118 37.878 38.000 -0.007 0.000 1.082 117 I HN 0.019 nan 8.210 nan 0.000 0.402 118 D N 1.739 122.133 120.400 -0.010 0.000 2.277 118 D HA 0.090 4.730 4.640 0.000 0.000 0.208 118 D C 1.636 177.930 176.300 -0.010 0.000 0.962 118 D CA 1.002 54.995 54.000 -0.011 0.000 0.865 118 D CB -0.260 40.532 40.800 -0.014 0.000 0.939 118 D HN 0.433 nan 8.370 nan 0.000 0.510 119 G N 0.216 109.010 108.800 -0.010 0.000 2.270 119 G HA2 -0.261 3.699 3.960 0.000 0.000 0.224 119 G HA3 -0.261 3.699 3.960 0.000 0.000 0.224 119 G C 0.473 175.367 174.900 -0.010 0.000 1.079 119 G CA 0.139 45.234 45.100 -0.009 0.000 0.807 119 G HN 0.403 nan 8.290 nan 0.000 0.492 120 K N -0.618 119.775 120.400 -0.011 0.000 2.438 120 K HA 0.477 4.797 4.320 0.000 0.000 0.206 120 K C 1.520 178.112 176.600 -0.012 0.000 1.081 120 K CA 0.364 56.644 56.287 -0.012 0.000 1.053 120 K CB 1.249 33.740 32.500 -0.014 0.000 0.908 120 K HN 1.516 nan 8.250 nan 0.000 0.556 121 G N 2.335 111.128 108.800 -0.012 0.000 2.481 121 G HA2 -0.213 3.747 3.960 0.000 0.000 0.230 121 G HA3 -0.213 3.747 3.960 0.000 0.000 0.230 121 G C -2.629 172.262 174.900 -0.015 0.000 1.210 121 G CA -0.988 44.105 45.100 -0.012 0.000 0.936 121 G HN 0.041 nan 8.290 nan 0.000 0.583 122 P HA 0.533 nan 4.420 nan 0.000 0.271 122 P C 0.145 177.428 177.300 -0.028 0.000 1.218 122 P CA -0.365 62.723 63.100 -0.020 0.000 0.780 122 P CB 0.511 32.200 31.700 -0.018 0.000 0.901 123 I N 1.626 122.176 120.570 -0.035 0.000 2.566 123 I HA 0.238 4.408 4.170 0.000 0.000 0.303 123 I C 0.246 176.329 176.117 -0.057 0.000 0.983 123 I CA -0.320 60.952 61.300 -0.048 0.000 1.235 123 I CB 1.002 38.968 38.000 -0.056 0.000 1.386 123 I HN 0.200 nan 8.210 nan 0.000 0.494 124 D N 3.748 124.105 120.400 -0.073 0.000 2.443 124 D HA 0.492 5.133 4.640 0.000 0.000 0.221 124 D C -0.131 176.091 176.300 -0.128 0.000 1.097 124 D CA 0.002 53.952 54.000 -0.085 0.000 0.865 124 D CB 1.304 42.058 40.800 -0.076 0.000 1.034 124 D HN 0.611 nan 8.370 nan 0.000 0.511 125 A N 1.836 124.585 122.820 -0.120 0.000 2.310 125 A HA 0.629 4.949 4.320 0.000 0.000 0.299 125 A C 0.776 178.266 177.584 -0.158 0.000 1.147 125 A CA -0.413 51.530 52.037 -0.157 0.000 0.818 125 A CB 1.284 20.216 19.000 -0.113 0.000 1.096 125 A HN 0.511 nan 8.150 nan 0.000 0.495 126 A N 1.297 123.978 122.820 -0.232 0.000 2.348 126 A HA 0.590 4.910 4.320 0.000 0.000 0.224 126 A C 0.962 178.516 177.584 -0.050 0.000 1.227 126 A CA 0.907 52.847 52.037 -0.161 0.000 0.885 126 A CB -0.470 18.366 19.000 -0.273 0.000 0.933 126 A HN 2.431 nan 8.150 nan 0.000 0.506 127 G N -0.920 107.842 108.800 -0.063 0.000 2.359 127 G HA2 0.409 4.369 3.960 0.000 0.000 0.293 127 G HA3 0.409 4.369 3.960 0.000 0.000 0.293 127 G C -1.475 173.416 174.900 -0.015 0.000 1.300 127 G CA -1.073 44.025 45.100 -0.002 0.000 0.888 127 G HN 0.257 nan 8.290 nan 0.000 0.541 128 R N -0.299 120.209 120.500 0.014 0.000 2.574 128 R HA 0.716 5.056 4.340 0.000 0.000 0.288 128 R C -0.983 175.336 176.300 0.032 0.000 1.004 128 R CA -0.668 55.439 56.100 0.012 0.000 0.895 128 R CB 2.243 32.547 30.300 0.007 0.000 1.191 128 R HN 0.533 nan 8.270 nan 0.000 0.444 129 S N 1.665 117.386 115.700 0.035 0.000 2.536 129 S HA 0.498 4.968 4.470 0.000 0.000 0.298 129 S C -0.296 174.327 174.600 0.039 0.000 1.083 129 S CA -0.937 57.289 58.200 0.043 0.000 0.995 129 S CB 1.971 65.207 63.200 0.059 0.000 1.058 129 S HN 0.396 nan 8.310 nan 0.000 0.488 130 R N 0.589 121.111 120.500 0.037 0.000 2.679 130 R HA 0.349 4.689 4.340 0.000 0.000 0.269 130 R C 1.389 177.714 176.300 0.041 0.000 1.076 130 R CA -0.000 56.121 56.100 0.036 0.000 1.160 130 R CB 0.170 30.485 30.300 0.026 0.000 1.054 130 R HN 0.777 nan 8.270 nan 0.000 0.507 131 A N 2.016 124.861 122.820 0.043 0.000 1.902 131 A HA -0.122 4.198 4.320 0.000 0.000 0.217 131 A C 0.528 178.121 177.584 0.015 0.000 1.181 131 A CA 1.207 53.280 52.037 0.059 0.000 0.623 131 A CB -0.012 19.025 19.000 0.062 0.000 0.818 131 A HN 0.550 nan 8.150 nan 0.000 0.443 132 Q N 0.570 120.335 119.800 -0.058 0.000 2.377 132 Q HA 0.461 4.801 4.340 0.000 0.000 0.249 132 Q C -1.111 174.873 176.000 -0.026 0.000 1.005 132 Q CA 0.022 55.764 55.803 -0.101 0.000 0.912 132 Q CB 1.158 29.808 28.738 -0.146 0.000 1.223 132 Q HN 0.210 nan 8.270 nan 0.000 0.459 133 V N 2.453 122.366 119.914 -0.001 0.000 2.815 133 V HA 0.358 4.478 4.120 0.000 0.000 0.314 133 V C 0.099 176.198 176.094 0.009 0.000 1.064 133 V CA -0.996 61.313 62.300 0.014 0.000 0.952 133 V CB 2.335 34.179 31.823 0.035 0.000 1.020 133 V HN 0.579 nan 8.190 nan 0.000 0.439 134 K N 2.087 122.494 120.400 0.012 0.000 2.270 134 K HA 0.627 4.947 4.320 0.000 0.000 0.276 134 K C 0.048 176.658 176.600 0.016 0.000 1.023 134 K CA -0.104 56.191 56.287 0.014 0.000 0.955 134 K CB 1.094 33.605 32.500 0.018 0.000 0.975 134 K HN 0.864 nan 8.250 nan 0.000 0.471 135 A N 4.565 127.393 122.820 0.014 0.000 2.409 135 A HA 0.248 4.568 4.320 0.000 0.000 0.262 135 A C -2.028 175.566 177.584 0.018 0.000 1.113 135 A CA -1.403 50.643 52.037 0.015 0.000 0.790 135 A CB -0.436 18.568 19.000 0.006 0.000 1.046 135 A HN 0.503 nan 8.150 nan 0.000 0.496 136 P HA -0.004 nan 4.420 nan 0.000 0.257 136 P C 0.800 178.110 177.300 0.018 0.000 1.162 136 P CA 0.878 63.988 63.100 0.017 0.000 0.762 136 P CB 0.059 31.770 31.700 0.018 0.000 0.753 137 G N 2.277 111.087 108.800 0.017 0.000 2.479 137 G HA2 0.096 4.056 3.960 0.000 0.000 0.275 137 G HA3 0.096 4.056 3.960 0.000 0.000 0.275 137 G C 1.118 176.028 174.900 0.018 0.000 1.421 137 G CA -0.517 44.594 45.100 0.019 0.000 1.059 137 G HN 0.335 nan 8.290 nan 0.000 0.535 138 I N -0.936 119.645 120.570 0.018 0.000 2.315 138 I HA -0.058 4.112 4.170 0.000 0.000 0.248 138 I C 2.513 178.639 176.117 0.014 0.000 1.117 138 I CA 0.626 61.936 61.300 0.017 0.000 1.404 138 I CB -0.259 37.751 38.000 0.018 0.000 1.071 138 I HN 0.266 nan 8.210 nan 0.000 0.419 139 L N 1.128 122.358 121.223 0.012 0.000 2.068 139 L HA 0.055 4.395 4.340 0.000 0.000 0.204 139 L C -0.934 175.940 176.870 0.008 0.000 1.076 139 L CA 1.366 56.211 54.840 0.009 0.000 0.753 139 L CB -1.306 40.757 42.059 0.007 0.000 0.910 139 L HN 0.151 nan 8.230 nan 0.000 0.439 140 P HA 0.137 nan 4.420 nan 0.000 0.220 140 P C -0.893 176.414 177.300 0.012 0.000 1.778 140 P CA 0.202 63.307 63.100 0.008 0.000 0.912 140 P CB -0.104 31.600 31.700 0.006 0.000 1.861 141 R N 0.219 120.727 120.500 0.014 0.000 2.651 141 R HA 0.525 4.865 4.340 0.000 0.000 0.278 141 R C -0.279 176.032 176.300 0.018 0.000 1.010 141 R CA -0.788 55.324 56.100 0.019 0.000 0.896 141 R CB 2.795 33.106 30.300 0.019 0.000 1.211 141 R HN 0.071 nan 8.270 nan 0.000 0.456 142 R N 0.850 121.367 120.500 0.028 0.000 2.732 142 R HA 0.437 4.777 4.340 0.000 0.000 0.278 142 R C -0.709 175.614 176.300 0.039 0.000 0.976 142 R CA -0.468 55.648 56.100 0.026 0.000 0.963 142 R CB 1.663 31.985 30.300 0.038 0.000 1.150 142 R HN 0.598 nan 8.270 nan 0.000 0.478 143 S N 1.529 117.245 115.700 0.025 0.000 2.562 143 S HA 0.064 4.534 4.470 0.000 0.000 0.281 143 S C -0.170 174.490 174.600 0.099 0.000 1.333 143 S CA -0.595 57.627 58.200 0.038 0.000 1.052 143 S CB 0.965 64.173 63.200 0.013 0.000 0.884 143 S HN 0.371 nan 8.310 nan 0.000 0.506 144 V N 5.353 125.313 119.914 0.077 0.000 2.529 144 V HA 0.119 4.239 4.120 0.000 0.000 0.292 144 V C 1.222 177.386 176.094 0.117 0.000 1.028 144 V CA 0.370 62.712 62.300 0.070 0.000 1.074 144 V CB -0.077 31.749 31.823 0.005 0.000 0.958 144 V HN 1.096 nan 8.190 nan 0.000 0.481 145 H N 1.709 120.742 119.070 -0.062 0.000 3.726 145 H HA 0.312 4.868 4.556 0.000 0.000 0.262 145 H C -0.138 175.140 175.328 -0.084 0.000 1.181 145 H CA -0.461 55.552 56.048 -0.059 0.000 1.143 145 H CB 0.471 30.206 29.762 -0.045 0.000 1.627 145 H HN 0.620 nan 8.280 nan 0.000 0.750 146 E N 3.574 123.459 120.200 -0.525 0.000 2.114 146 E HA 0.340 4.690 4.350 0.000 0.000 0.266 146 E C -2.817 173.589 176.600 -0.324 0.000 0.896 146 E CA -2.143 53.958 56.400 -0.498 0.000 0.750 146 E CB 2.041 31.356 29.700 -0.640 0.000 1.121 146 E HN 0.138 nan 8.360 nan 0.000 0.413 147 P HA -0.065 nan 4.420 nan 0.000 0.261 147 P C -0.592 176.558 177.300 -0.249 0.000 1.203 147 P CA 0.053 63.036 63.100 -0.196 0.000 0.767 147 P CB 0.422 32.032 31.700 -0.150 0.000 0.785 148 V N 5.911 125.709 119.914 -0.193 0.000 2.370 148 V HA 0.034 4.154 4.120 0.000 0.000 0.257 148 V C 0.801 176.832 176.094 -0.106 0.000 1.064 148 V CA 0.186 62.380 62.300 -0.176 0.000 0.975 148 V CB -0.319 31.429 31.823 -0.124 0.000 1.067 148 V HN 0.480 nan 8.190 nan 0.000 0.485 149 Q N 2.689 122.423 119.800 -0.109 0.000 2.369 149 Q HA 0.128 4.468 4.340 0.000 0.000 0.247 149 Q C 1.490 177.550 176.000 0.099 0.000 1.083 149 Q CA 0.110 55.933 55.803 0.033 0.000 0.905 149 Q CB 0.946 29.782 28.738 0.163 0.000 1.305 149 Q HN 0.948 nan 8.270 nan 0.000 0.465 150 T N -1.038 113.552 114.554 0.060 0.000 2.951 150 T HA 0.017 4.367 4.350 0.000 0.000 0.268 150 T C 1.419 176.162 174.700 0.072 0.000 1.073 150 T CA 0.604 62.739 62.100 0.059 0.000 1.134 150 T CB -0.048 68.839 68.868 0.033 0.000 0.884 150 T HN 0.836 nan 8.240 nan 0.000 0.479 151 G N 1.092 109.939 108.800 0.079 0.000 2.143 151 G HA2 -0.193 3.767 3.960 0.000 0.000 0.248 151 G HA3 -0.193 3.767 3.960 0.000 0.000 0.248 151 G C -0.154 174.771 174.900 0.042 0.000 0.991 151 G CA 0.230 45.370 45.100 0.066 0.000 0.689 151 G HN 0.664 nan 8.290 nan 0.000 0.522 152 L N -0.142 121.103 121.223 0.037 0.000 2.280 152 L HA 0.444 4.784 4.340 0.000 0.000 0.287 152 L C 1.656 178.545 176.870 0.031 0.000 1.023 152 L CA -0.925 53.931 54.840 0.026 0.000 0.819 152 L CB 1.340 43.410 42.059 0.018 0.000 1.212 152 L HN 0.042 nan 8.230 nan 0.000 0.420 153 K N 2.203 122.622 120.400 0.031 0.000 2.059 153 K HA -0.259 4.061 4.320 0.000 0.000 0.212 153 K C 1.980 178.603 176.600 0.037 0.000 1.050 153 K CA 1.927 58.237 56.287 0.037 0.000 0.927 153 K CB -0.160 32.364 32.500 0.040 0.000 0.714 153 K HN 0.816 nan 8.250 nan 0.000 0.447 154 A N 0.988 123.828 122.820 0.033 0.000 1.841 154 A HA -0.162 4.158 4.320 0.000 0.000 0.216 154 A C 2.430 180.037 177.584 0.038 0.000 1.199 154 A CA 1.877 53.936 52.037 0.037 0.000 0.621 154 A CB -0.946 18.075 19.000 0.035 0.000 0.835 154 A HN 0.079 nan 8.150 nan 0.000 0.445 155 V N 0.803 120.738 119.914 0.034 0.000 2.252 155 V HA -0.294 3.826 4.120 0.000 0.000 0.249 155 V C 2.195 178.307 176.094 0.030 0.000 1.056 155 V CA 2.478 64.796 62.300 0.031 0.000 1.022 155 V CB -1.033 30.805 31.823 0.025 0.000 0.641 155 V HN 0.506 nan 8.190 nan 0.000 0.445 156 D N 0.064 120.482 120.400 0.031 0.000 2.218 156 D HA -0.073 4.567 4.640 0.000 0.000 0.204 156 D C 1.891 178.210 176.300 0.031 0.000 0.976 156 D CA 1.557 55.575 54.000 0.030 0.000 0.853 156 D CB -0.118 40.705 40.800 0.037 0.000 0.939 156 D HN 0.506 nan 8.370 nan 0.000 0.481 157 A N -1.036 121.806 122.820 0.036 0.000 2.252 157 A HA 0.254 4.574 4.320 0.000 0.000 0.213 157 A C 1.819 179.427 177.584 0.040 0.000 1.188 157 A CA 0.107 52.167 52.037 0.039 0.000 0.863 157 A CB 0.275 19.301 19.000 0.043 0.000 0.893 157 A HN 0.192 nan 8.150 nan 0.000 0.495 158 L N -1.295 119.953 121.223 0.041 0.000 2.806 158 L HA 0.192 4.532 4.340 0.000 0.000 0.242 158 L C 0.146 177.041 176.870 0.043 0.000 1.068 158 L CA 0.280 55.147 54.840 0.045 0.000 0.923 158 L CB 0.957 43.047 42.059 0.052 0.000 1.364 158 L HN 0.122 nan 8.230 nan 0.000 0.511 159 V N -1.813 118.124 119.914 0.038 0.000 2.405 159 V HA 0.419 4.539 4.120 0.000 0.000 0.253 159 V C -2.810 173.297 176.094 0.020 0.000 0.963 159 V CA -1.594 60.726 62.300 0.034 0.000 1.003 159 V CB 0.115 31.963 31.823 0.041 0.000 1.251 159 V HN -0.062 nan 8.190 nan 0.000 0.520 160 P HA 0.403 nan 4.420 nan 0.000 0.280 160 P C 0.132 177.425 177.300 -0.010 0.000 1.300 160 P CA 0.124 63.225 63.100 0.002 0.000 0.785 160 P CB 1.127 32.829 31.700 0.002 0.000 0.874 161 I N 2.503 123.062 120.570 -0.019 0.000 2.634 161 I HA 0.324 4.494 4.170 0.000 0.000 0.284 161 I C 1.473 177.554 176.117 -0.060 0.000 1.124 161 I CA 0.243 61.523 61.300 -0.033 0.000 1.417 161 I CB 0.504 38.484 38.000 -0.033 0.000 1.396 161 I HN 0.341 nan 8.210 nan 0.000 0.571 162 G N 4.174 112.933 108.800 -0.068 0.000 2.597 162 G HA2 0.587 4.547 3.960 0.000 0.000 0.317 162 G HA3 0.587 4.547 3.960 0.000 0.000 0.317 162 G C -0.745 174.077 174.900 -0.131 0.000 1.230 162 G CA -0.922 44.112 45.100 -0.109 0.000 0.996 162 G HN 0.500 nan 8.290 nan 0.000 0.490 163 R N -0.384 119.996 120.500 -0.201 0.000 2.242 163 R HA 0.465 4.805 4.340 0.000 0.000 0.334 163 R C 1.084 177.302 176.300 -0.137 0.000 1.071 163 R CA 1.397 57.364 56.100 -0.222 0.000 0.922 163 R CB 0.727 30.769 30.300 -0.431 0.000 1.023 163 R HN 1.071 nan 8.270 nan 0.000 0.458 164 G N 1.705 110.463 108.800 -0.070 0.000 2.253 164 G HA2 -0.269 3.691 3.960 0.000 0.000 0.209 164 G HA3 -0.269 3.691 3.960 0.000 0.000 0.209 164 G C 0.136 175.029 174.900 -0.012 0.000 0.997 164 G CA -0.283 44.804 45.100 -0.022 0.000 0.640 164 G HN 0.556 nan 8.290 nan 0.000 0.496 165 Q N 0.650 120.435 119.800 -0.026 0.000 2.417 165 Q HA 0.592 4.932 4.340 0.000 0.000 0.241 165 Q C -0.003 175.991 176.000 -0.010 0.000 1.008 165 Q CA -0.257 55.536 55.803 -0.016 0.000 0.901 165 Q CB 0.383 29.107 28.738 -0.024 0.000 1.259 165 Q HN 0.486 nan 8.270 nan 0.000 0.489 166 R N 2.119 122.615 120.500 -0.007 0.000 2.437 166 R HA 0.342 4.682 4.340 0.000 0.000 0.310 166 R C -1.307 174.983 176.300 -0.016 0.000 0.955 166 R CA -0.609 55.486 56.100 -0.008 0.000 0.851 166 R CB 1.651 31.944 30.300 -0.012 0.000 1.161 166 R HN 0.475 nan 8.270 nan 0.000 0.446 167 E N 2.548 122.736 120.200 -0.020 0.000 2.218 167 E HA 0.233 4.583 4.350 0.000 0.000 0.263 167 E C -1.553 175.018 176.600 -0.048 0.000 0.879 167 E CA -0.918 55.465 56.400 -0.029 0.000 0.762 167 E CB 1.287 30.974 29.700 -0.021 0.000 1.166 167 E HN 0.317 nan 8.360 nan 0.000 0.415 168 L N 5.303 126.482 121.223 -0.073 0.000 2.380 168 L HA 0.465 4.805 4.340 0.000 0.000 0.273 168 L C -0.938 175.855 176.870 -0.128 0.000 1.138 168 L CA 0.166 54.938 54.840 -0.113 0.000 0.832 168 L CB 0.546 42.516 42.059 -0.149 0.000 1.124 168 L HN 0.642 nan 8.230 nan 0.000 0.454 169 I N 6.827 127.322 120.570 -0.123 0.000 2.312 169 I HA 0.409 4.579 4.170 0.000 0.000 0.290 169 I C -0.428 175.585 176.117 -0.173 0.000 1.008 169 I CA -0.177 61.048 61.300 -0.126 0.000 1.226 169 I CB 1.251 39.209 38.000 -0.071 0.000 1.371 169 I HN 0.570 nan 8.210 nan 0.000 0.468 170 I N 5.662 126.081 120.570 -0.251 0.000 2.607 170 I HA 0.840 5.010 4.170 0.000 0.000 0.290 170 I C -0.358 175.614 176.117 -0.242 0.000 1.129 170 I CA 0.128 61.247 61.300 -0.302 0.000 1.042 170 I CB 1.792 39.503 38.000 -0.481 0.000 1.242 170 I HN 0.686 nan 8.210 nan 0.000 0.421 171 G N 4.766 113.499 108.800 -0.112 0.000 2.340 171 G HA2 0.220 4.180 3.960 0.000 0.000 0.299 171 G HA3 0.220 4.180 3.960 0.000 0.000 0.299 171 G C -1.995 172.900 174.900 -0.007 0.000 1.291 171 G CA -0.722 44.370 45.100 -0.014 0.000 0.841 171 G HN 0.473 nan 8.290 nan 0.000 0.500 172 D N 0.265 120.669 120.400 0.007 0.000 2.398 172 D HA 0.468 5.108 4.640 0.000 0.000 0.247 172 D C 1.135 177.414 176.300 -0.034 0.000 1.227 172 D CA -0.243 53.756 54.000 -0.002 0.000 0.980 172 D CB 0.520 41.326 40.800 0.011 0.000 1.106 172 D HN 0.678 nan 8.370 nan 0.000 0.493 173 R N 0.429 120.913 120.500 -0.026 0.000 2.758 173 R HA 0.031 4.371 4.340 0.000 0.000 0.263 173 R C -0.128 176.119 176.300 -0.088 0.000 1.010 173 R CA -0.283 55.793 56.100 -0.040 0.000 1.114 173 R CB -0.053 30.238 30.300 -0.016 0.000 0.985 173 R HN 0.156 nan 8.270 nan 0.000 0.439 174 Q N -0.071 119.662 119.800 -0.111 0.000 2.435 174 Q HA -0.173 4.167 4.340 0.000 0.000 0.312 174 Q C 0.069 175.828 176.000 -0.402 0.000 1.333 174 Q CA 1.749 57.431 55.803 -0.201 0.000 0.883 174 Q CB -1.648 27.000 28.738 -0.151 0.000 1.170 174 Q HN 1.009 nan 8.270 nan 0.000 0.443 175 T N -5.384 108.969 114.554 -0.335 0.000 3.040 175 T HA 0.454 4.804 4.350 0.000 0.000 0.266 175 T C 1.073 175.615 174.700 -0.263 0.000 1.005 175 T CA 0.599 62.451 62.100 -0.412 0.000 0.906 175 T CB 1.119 69.883 68.868 -0.172 0.000 1.082 175 T HN 0.830 nan 8.240 nan 0.000 0.531 176 G N 1.738 110.429 108.800 -0.181 0.000 2.145 176 G HA2 -0.211 3.749 3.960 0.000 0.000 0.176 176 G HA3 -0.211 3.749 3.960 0.000 0.000 0.176 176 G C 0.660 175.554 174.900 -0.010 0.000 1.013 176 G CA 0.199 45.289 45.100 -0.017 0.000 0.689 176 G HN 0.449 nan 8.290 nan 0.000 0.506 177 K N -0.351 120.029 120.400 -0.033 0.000 1.973 177 K HA -0.055 4.265 4.320 0.000 0.000 0.210 177 K C 2.636 179.239 176.600 0.005 0.000 1.045 177 K CA 1.870 58.145 56.287 -0.020 0.000 0.937 177 K CB -0.457 32.024 32.500 -0.032 0.000 0.721 177 K HN 0.308 nan 8.250 nan 0.000 0.438 178 T N 1.569 116.137 114.554 0.022 0.000 2.721 178 T HA -0.219 4.131 4.350 0.000 0.000 0.268 178 T C 1.957 176.679 174.700 0.036 0.000 1.038 178 T CA 1.566 63.706 62.100 0.067 0.000 1.145 178 T CB -0.352 68.563 68.868 0.078 0.000 0.858 178 T HN 0.359 nan 8.240 nan 0.000 0.459 179 A N 0.859 123.676 122.820 -0.004 0.000 2.019 179 A HA -0.015 4.305 4.320 0.000 0.000 0.219 179 A C 2.511 180.073 177.584 -0.036 0.000 1.164 179 A CA 1.216 53.224 52.037 -0.048 0.000 0.644 179 A CB -0.738 18.218 19.000 -0.073 0.000 0.805 179 A HN 0.430 nan 8.150 nan 0.000 0.449 180 V N -0.814 119.096 119.914 -0.007 0.000 2.719 180 V HA -0.079 4.041 4.120 0.000 0.000 0.252 180 V C 2.774 178.876 176.094 0.013 0.000 1.065 180 V CA 1.485 63.785 62.300 0.000 0.000 1.086 180 V CB -0.955 30.871 31.823 0.004 0.000 0.700 180 V HN 0.576 nan 8.190 nan 0.000 0.467 181 A N -0.029 122.810 122.820 0.032 0.000 1.878 181 A HA -0.014 4.306 4.320 0.000 0.000 0.213 181 A C 2.085 179.700 177.584 0.052 0.000 1.192 181 A CA 1.274 53.346 52.037 0.060 0.000 0.619 181 A CB -0.425 18.647 19.000 0.120 0.000 0.837 181 A HN 0.399 nan 8.150 nan 0.000 0.446 182 L N 0.120 121.358 121.223 0.025 0.000 2.056 182 L HA -0.133 4.207 4.340 0.000 0.000 0.207 182 L C 1.254 178.123 176.870 -0.002 0.000 1.078 182 L CA 2.121 56.955 54.840 -0.011 0.000 0.749 182 L CB -0.428 41.612 42.059 -0.031 0.000 0.901 182 L HN 0.290 nan 8.230 nan 0.000 0.433 183 D N -1.651 118.739 120.400 -0.017 0.000 2.371 183 D HA -0.089 4.551 4.640 0.000 0.000 0.221 183 D C 1.882 178.197 176.300 0.025 0.000 0.986 183 D CA 1.013 55.007 54.000 -0.011 0.000 0.899 183 D CB 0.132 40.901 40.800 -0.052 0.000 0.902 183 D HN 0.372 nan 8.370 nan 0.000 0.530 184 T N -0.097 114.477 114.554 0.034 0.000 2.939 184 T HA 0.108 4.458 4.350 0.000 0.000 0.254 184 T C 2.173 176.920 174.700 0.080 0.000 1.041 184 T CA 0.070 62.203 62.100 0.054 0.000 1.142 184 T CB 0.202 69.094 68.868 0.041 0.000 0.874 184 T HN 0.108 nan 8.240 nan 0.000 0.452 185 I N 1.343 121.964 120.570 0.084 0.000 2.226 185 I HA -0.147 4.023 4.170 0.000 0.000 0.245 185 I C 2.185 178.420 176.117 0.198 0.000 1.100 185 I CA 1.267 62.651 61.300 0.140 0.000 1.374 185 I CB -0.433 37.628 38.000 0.101 0.000 1.057 185 I HN 0.183 nan 8.210 nan 0.000 0.413 186 L N 0.195 121.488 121.223 0.118 0.000 2.046 186 L HA -0.224 4.116 4.340 0.000 0.000 0.208 186 L C 2.241 179.191 176.870 0.133 0.000 1.077 186 L CA 1.595 56.511 54.840 0.127 0.000 0.747 186 L CB -0.854 41.227 42.059 0.036 0.000 0.896 186 L HN 0.317 nan 8.230 nan 0.000 0.432 187 N N -0.407 118.351 118.700 0.097 0.000 2.381 187 N HA -0.178 4.562 4.740 0.000 0.000 0.182 187 N C 1.824 177.378 175.510 0.074 0.000 1.025 187 N CA 0.672 53.762 53.050 0.066 0.000 0.888 187 N CB 0.116 38.656 38.487 0.088 0.000 0.965 187 N HN 0.203 nan 8.380 nan 0.000 0.438 188 Q N 0.225 120.096 119.800 0.118 0.000 2.500 188 Q HA -0.079 4.261 4.340 0.000 0.000 0.213 188 Q C 1.475 177.397 176.000 -0.130 0.000 0.974 188 Q CA 0.504 56.369 55.803 0.103 0.000 0.918 188 Q CB -0.096 28.618 28.738 -0.040 0.000 0.980 188 Q HN 0.498 nan 8.270 nan 0.000 0.505 189 K N 0.909 121.250 120.400 -0.099 0.000 2.211 189 K HA -0.114 4.206 4.320 0.000 0.000 0.204 189 K C 1.841 178.324 176.600 -0.195 0.000 1.047 189 K CA 0.740 56.972 56.287 -0.091 0.000 0.935 189 K CB 0.108 32.656 32.500 0.081 0.000 0.728 189 K HN 0.047 nan 8.250 nan 0.000 0.452 190 R N -0.882 119.404 120.500 -0.358 0.000 2.193 190 R HA -0.129 4.211 4.340 0.000 0.000 0.229 190 R C 1.338 177.171 176.300 -0.780 0.000 1.110 190 R CA 1.410 57.088 56.100 -0.703 0.000 0.988 190 R CB 0.066 29.619 30.300 -1.246 0.000 0.871 190 R HN 0.426 nan 8.270 nan 0.000 0.458 191 W N -1.487 119.722 121.300 -0.150 0.000 2.904 191 W HA 0.200 4.860 4.660 0.000 0.000 0.265 191 W C 1.030 177.426 176.519 -0.205 0.000 1.138 191 W CA -0.491 56.761 57.345 -0.156 0.000 1.455 191 W CB -0.280 29.088 29.460 -0.153 0.000 0.924 191 W HN 0.007 nan 8.180 nan 0.000 0.619 192 N N 1.254 119.880 118.700 -0.122 0.000 2.573 192 N HA -0.093 4.647 4.740 0.000 0.000 0.187 192 N C 0.919 176.363 175.510 -0.111 0.000 1.107 192 N CA 0.812 53.697 53.050 -0.274 0.000 0.918 192 N CB -0.279 37.750 38.487 -0.763 0.000 0.966 192 N HN 0.193 nan 8.380 nan 0.000 0.448 193 N N -0.254 118.406 118.700 -0.066 0.000 2.282 193 N HA 0.047 4.787 4.740 0.000 0.000 0.185 193 N C 0.962 176.465 175.510 -0.012 0.000 1.099 193 N CA 0.090 53.128 53.050 -0.020 0.000 0.878 193 N CB 0.529 39.001 38.487 -0.025 0.000 0.993 193 N HN 0.090 nan 8.380 nan 0.000 0.481 194 G N 0.113 108.906 108.800 -0.012 0.000 2.562 194 G HA2 0.272 4.232 3.960 0.000 0.000 0.275 194 G HA3 0.272 4.232 3.960 0.000 0.000 0.275 194 G C 0.488 175.402 174.900 0.023 0.000 1.196 194 G CA -0.286 44.820 45.100 0.010 0.000 0.908 194 G HN 0.164 nan 8.290 nan 0.000 0.524 195 S N -1.064 114.655 115.700 0.030 0.000 2.601 195 S HA 0.116 4.586 4.470 0.000 0.000 0.244 195 S C 0.171 174.795 174.600 0.040 0.000 1.001 195 S CA -0.310 57.914 58.200 0.039 0.000 0.984 195 S CB 0.287 63.511 63.200 0.040 0.000 0.842 195 S HN 0.561 nan 8.310 nan 0.000 0.474 196 D N 2.280 122.704 120.400 0.040 0.000 2.348 196 D HA 0.055 4.695 4.640 0.000 0.000 0.259 196 D C 0.765 177.084 176.300 0.032 0.000 1.296 196 D CA 0.122 54.145 54.000 0.039 0.000 0.931 196 D CB 0.656 41.485 40.800 0.048 0.000 1.067 196 D HN 0.218 nan 8.370 nan 0.000 0.503 197 E N 1.752 121.972 120.200 0.034 0.000 2.204 197 E HA -0.143 4.207 4.350 0.000 0.000 0.195 197 E C 1.767 178.368 176.600 0.002 0.000 0.990 197 E CA 0.713 57.137 56.400 0.040 0.000 0.821 197 E CB 0.234 29.969 29.700 0.058 0.000 0.750 197 E HN 0.593 nan 8.360 nan 0.000 0.477 198 S N -0.096 115.597 115.700 -0.012 0.000 2.439 198 S HA 0.050 4.520 4.470 0.000 0.000 0.224 198 S C 1.675 176.284 174.600 0.016 0.000 1.029 198 S CA 0.278 58.456 58.200 -0.037 0.000 0.946 198 S CB 0.055 63.254 63.200 -0.002 0.000 0.797 198 S HN 0.030 nan 8.310 nan 0.000 0.504 199 K N 1.086 121.478 120.400 -0.014 0.000 2.487 199 K HA 0.207 4.527 4.320 0.000 0.000 0.192 199 K C 0.461 176.971 176.600 -0.151 0.000 1.027 199 K CA 0.134 56.361 56.287 -0.100 0.000 1.054 199 K CB 0.141 32.575 32.500 -0.110 0.000 0.824 199 K HN 0.434 nan 8.250 nan 0.000 0.510 200 K N 0.605 120.955 120.400 -0.083 0.000 2.273 200 K HA 0.296 4.616 4.320 0.000 0.000 0.240 200 K C -0.538 175.950 176.600 -0.187 0.000 1.056 200 K CA -0.480 55.709 56.287 -0.163 0.000 0.910 200 K CB 0.430 32.769 32.500 -0.268 0.000 1.196 200 K HN -0.179 nan 8.250 nan 0.000 0.509 201 L N 1.275 122.297 121.223 -0.335 0.000 2.737 201 L HA 0.256 4.596 4.340 0.000 0.000 0.261 201 L C -1.976 174.677 176.870 -0.363 0.000 0.949 201 L CA -0.212 54.481 54.840 -0.244 0.000 0.952 201 L CB 0.770 42.732 42.059 -0.160 0.000 1.337 201 L HN 0.449 nan 8.230 nan 0.000 0.430 202 Y N 3.222 123.378 120.300 -0.240 0.000 2.299 202 Y HA 0.518 5.068 4.550 0.000 0.000 0.326 202 Y C 0.407 176.187 175.900 -0.201 0.000 1.164 202 Y CA 0.016 57.925 58.100 -0.318 0.000 1.234 202 Y CB 1.271 39.175 38.460 -0.926 0.000 1.219 202 Y HN 0.555 nan 8.280 nan 0.000 0.497 203 C N 3.636 123.014 119.300 0.131 0.000 2.322 203 C HA 0.652 5.112 4.460 0.000 0.000 0.324 203 C C -0.348 174.692 174.990 0.083 0.000 1.284 203 C CA -1.145 57.938 59.018 0.107 0.000 1.606 203 C CB -0.050 27.796 27.740 0.176 0.000 2.251 203 C HN 0.529 nan 8.230 nan 0.000 0.502 204 V N 4.048 123.988 119.914 0.044 0.000 2.384 204 V HA 0.330 4.450 4.120 0.000 0.000 0.287 204 V C -0.779 175.316 176.094 0.003 0.000 1.020 204 V CA -0.603 61.714 62.300 0.029 0.000 0.850 204 V CB 1.029 32.852 31.823 -0.001 0.000 0.987 204 V HN 0.786 nan 8.190 nan 0.000 0.436 205 Y N 4.645 124.893 120.300 -0.086 0.000 2.341 205 Y HA 0.684 5.234 4.550 0.000 0.000 0.337 205 Y C -0.335 175.503 175.900 -0.105 0.000 1.014 205 Y CA -0.680 57.360 58.100 -0.101 0.000 1.111 205 Y CB 1.883 40.305 38.460 -0.063 0.000 1.194 205 Y HN 0.423 nan 8.280 nan 0.000 0.462 206 V N 5.636 125.209 119.914 -0.569 0.000 2.349 206 V HA 0.622 4.742 4.120 0.000 0.000 0.284 206 V C -0.246 175.609 176.094 -0.397 0.000 1.014 206 V CA -0.916 61.172 62.300 -0.355 0.000 0.826 206 V CB 0.886 32.534 31.823 -0.291 0.000 1.009 206 V HN 0.935 nan 8.190 nan 0.000 0.431 207 A N 5.170 127.895 122.820 -0.159 0.000 2.316 207 A HA 0.723 5.043 4.320 0.000 0.000 0.311 207 A C -0.310 177.256 177.584 -0.030 0.000 1.339 207 A CA -0.347 51.658 52.037 -0.053 0.000 0.960 207 A CB 0.407 19.480 19.000 0.122 0.000 1.152 207 A HN 0.707 nan 8.150 nan 0.000 0.547 208 V N 2.407 122.297 119.914 -0.040 0.000 2.370 208 V HA 0.594 4.714 4.120 0.000 0.000 0.283 208 V C 1.333 177.437 176.094 0.017 0.000 1.023 208 V CA 0.485 62.779 62.300 -0.010 0.000 0.857 208 V CB 0.789 32.602 31.823 -0.017 0.000 0.985 208 V HN 1.662 nan 8.190 nan 0.000 0.443 209 G N 3.610 112.429 108.800 0.032 0.000 2.187 209 G HA2 -0.262 3.698 3.960 0.000 0.000 0.261 209 G HA3 -0.262 3.698 3.960 0.000 0.000 0.261 209 G C 0.284 175.206 174.900 0.037 0.000 1.000 209 G CA 0.565 45.689 45.100 0.040 0.000 0.718 209 G HN 0.673 nan 8.290 nan 0.000 0.519 210 Q N -0.555 119.267 119.800 0.037 0.000 2.396 210 Q HA 0.407 4.747 4.340 0.000 0.000 0.221 210 Q C 0.631 176.655 176.000 0.040 0.000 1.025 210 Q CA -0.293 55.536 55.803 0.044 0.000 0.946 210 Q CB 0.826 29.602 28.738 0.064 0.000 1.224 210 Q HN 0.354 nan 8.270 nan 0.000 0.539 211 K N 0.648 121.070 120.400 0.038 0.000 2.237 211 K HA 0.055 4.375 4.320 0.000 0.000 0.270 211 K C 0.845 177.463 176.600 0.031 0.000 1.015 211 K CA 0.026 56.332 56.287 0.031 0.000 0.949 211 K CB 0.668 33.184 32.500 0.027 0.000 0.976 211 K HN 0.433 nan 8.250 nan 0.000 0.472 212 R N 0.516 121.030 120.500 0.024 0.000 2.090 212 R HA -0.086 4.254 4.340 0.000 0.000 0.228 212 R C 1.901 178.211 176.300 0.016 0.000 1.110 212 R CA 1.831 57.943 56.100 0.021 0.000 0.973 212 R CB 0.058 30.368 30.300 0.016 0.000 0.869 212 R HN 0.744 nan 8.270 nan 0.000 0.440 213 S N -0.768 114.941 115.700 0.015 0.000 2.447 213 S HA -0.093 4.377 4.470 0.000 0.000 0.233 213 S C 1.686 176.293 174.600 0.010 0.000 1.006 213 S CA 1.497 59.703 58.200 0.011 0.000 0.957 213 S CB -0.157 63.050 63.200 0.011 0.000 0.773 213 S HN 0.253 nan 8.310 nan 0.000 0.507 214 T N 2.261 116.826 114.554 0.017 0.000 2.851 214 T HA 0.058 4.408 4.350 0.000 0.000 0.262 214 T C 1.941 176.647 174.700 0.011 0.000 1.043 214 T CA 1.085 63.196 62.100 0.018 0.000 1.140 214 T CB -0.438 68.449 68.868 0.032 0.000 0.872 214 T HN 0.300 nan 8.240 nan 0.000 0.446 215 V N 1.905 121.832 119.914 0.022 0.000 2.515 215 V HA -0.080 4.040 4.120 0.000 0.000 0.250 215 V C 2.915 179.004 176.094 -0.009 0.000 1.058 215 V CA 1.378 63.689 62.300 0.019 0.000 1.064 215 V CB -1.290 30.560 31.823 0.045 0.000 0.675 215 V HN 0.505 nan 8.190 nan 0.000 0.461 216 A N -0.087 122.730 122.820 -0.005 0.000 1.858 216 A HA -0.301 4.019 4.320 0.000 0.000 0.216 216 A C 2.213 179.782 177.584 -0.025 0.000 1.190 216 A CA 2.224 54.253 52.037 -0.013 0.000 0.617 216 A CB -0.588 18.408 19.000 -0.007 0.000 0.827 216 A HN 0.494 nan 8.150 nan 0.000 0.443 217 Q N -0.470 119.318 119.800 -0.021 0.000 2.167 217 Q HA -0.040 4.300 4.340 0.000 0.000 0.202 217 Q C 1.841 177.812 176.000 -0.048 0.000 0.970 217 Q CA 1.543 57.330 55.803 -0.026 0.000 0.855 217 Q CB -0.513 28.219 28.738 -0.010 0.000 0.911 217 Q HN 0.639 nan 8.270 nan 0.000 0.438 218 L N -0.535 120.648 121.223 -0.067 0.000 2.056 218 L HA -0.122 4.218 4.340 0.000 0.000 0.207 218 L C 2.153 178.941 176.870 -0.137 0.000 1.078 218 L CA 1.387 56.151 54.840 -0.127 0.000 0.749 218 L CB -0.275 41.663 42.059 -0.200 0.000 0.901 218 L HN 0.328 nan 8.230 nan 0.000 0.433 219 V N -3.049 116.802 119.914 -0.105 0.000 2.548 219 V HA -0.245 3.875 4.120 0.000 0.000 0.249 219 V C 2.207 178.254 176.094 -0.078 0.000 1.055 219 V CA 1.709 63.952 62.300 -0.095 0.000 1.065 219 V CB -0.821 30.962 31.823 -0.067 0.000 0.681 219 V HN 0.633 nan 8.190 nan 0.000 0.462 220 Q N 0.817 120.579 119.800 -0.064 0.000 2.084 220 Q HA -0.195 4.145 4.340 0.000 0.000 0.202 220 Q C 2.237 178.203 176.000 -0.056 0.000 0.978 220 Q CA 2.691 58.462 55.803 -0.053 0.000 0.844 220 Q CB -0.297 28.415 28.738 -0.044 0.000 0.898 220 Q HN 0.767 nan 8.270 nan 0.000 0.426 221 T N 1.439 115.950 114.554 -0.072 0.000 2.777 221 T HA -0.068 4.282 4.350 0.000 0.000 0.266 221 T C 1.922 176.589 174.700 -0.055 0.000 1.040 221 T CA 0.927 62.978 62.100 -0.081 0.000 1.141 221 T CB -0.164 68.621 68.868 -0.137 0.000 0.868 221 T HN 0.219 nan 8.240 nan 0.000 0.444 222 L N 0.663 121.828 121.223 -0.096 0.000 2.046 222 L HA -0.098 4.242 4.340 0.000 0.000 0.208 222 L C 2.820 179.647 176.870 -0.071 0.000 1.077 222 L CA 1.458 56.234 54.840 -0.107 0.000 0.747 222 L CB -0.517 41.450 42.059 -0.153 0.000 0.896 222 L HN 0.314 nan 8.230 nan 0.000 0.432 223 E N -0.237 119.924 120.200 -0.066 0.000 2.077 223 E HA -0.266 4.084 4.350 0.000 0.000 0.193 223 E C 2.128 178.708 176.600 -0.033 0.000 0.989 223 E CA 1.085 57.452 56.400 -0.056 0.000 0.800 223 E CB -0.062 29.606 29.700 -0.053 0.000 0.746 223 E HN 0.515 nan 8.360 nan 0.000 0.452 224 Q N -0.502 119.287 119.800 -0.018 0.000 2.500 224 Q HA -0.076 4.264 4.340 0.000 0.000 0.213 224 Q C 1.090 177.036 176.000 -0.090 0.000 0.974 224 Q CA 0.640 56.416 55.803 -0.045 0.000 0.918 224 Q CB 0.192 28.899 28.738 -0.051 0.000 0.980 224 Q HN 0.379 nan 8.270 nan 0.000 0.505 225 H N -0.969 118.047 119.070 -0.090 0.000 2.672 225 H HA 0.027 4.583 4.556 0.000 0.000 0.277 225 H C -0.292 175.013 175.328 -0.039 0.000 1.074 225 H CA 0.089 56.099 56.048 -0.063 0.000 1.173 225 H CB 0.722 30.451 29.762 -0.055 0.000 1.558 225 H HN 0.204 nan 8.280 nan 0.000 0.539 226 D N 0.596 121.011 120.400 0.024 0.000 2.699 226 D HA -0.184 4.456 4.640 0.000 0.000 0.239 226 D C 0.703 177.000 176.300 -0.006 0.000 1.136 226 D CA 0.683 54.686 54.000 0.005 0.000 0.668 226 D CB -0.957 39.856 40.800 0.021 0.000 1.060 226 D HN 0.503 nan 8.370 nan 0.000 0.429 227 A N -0.328 122.412 122.820 -0.134 0.000 2.211 227 A HA 0.201 4.521 4.320 0.000 0.000 0.208 227 A C 1.793 178.897 177.584 -0.800 0.000 1.250 227 A CA 0.814 52.575 52.037 -0.461 0.000 0.935 227 A CB -0.083 18.813 19.000 -0.175 0.000 0.982 227 A HN 0.303 nan 8.150 nan 0.000 0.490 228 M N 1.825 121.193 119.600 -0.386 0.000 2.159 228 M HA -0.153 4.327 4.480 0.000 0.000 0.263 228 M C 1.948 178.090 176.300 -0.264 0.000 1.063 228 M CA 2.172 57.302 55.300 -0.283 0.000 1.110 228 M CB -0.629 31.881 32.600 -0.150 0.000 1.374 228 M HN 0.489 nan 8.290 nan 0.000 0.411 229 K N -0.308 119.953 120.400 -0.231 0.000 2.160 229 K HA -0.207 4.113 4.320 0.000 0.000 0.206 229 K C 0.877 177.507 176.600 0.050 0.000 1.047 229 K CA 1.995 58.247 56.287 -0.059 0.000 0.930 229 K CB -1.202 31.313 32.500 0.026 0.000 0.720 229 K HN 0.624 nan 8.250 nan 0.000 0.450 230 Y N 0.192 120.550 120.300 0.096 0.000 2.683 230 Y HA 0.528 5.078 4.550 0.000 0.000 0.297 230 Y C -0.462 175.518 175.900 0.133 0.000 1.147 230 Y CA -1.095 57.106 58.100 0.168 0.000 1.274 230 Y CB 0.212 38.688 38.460 0.027 0.000 1.143 230 Y HN -0.147 nan 8.280 nan 0.000 0.527 231 S N 1.039 116.742 115.700 0.005 0.000 2.536 231 S HA 0.719 5.189 4.470 0.000 0.000 0.287 231 S C -0.782 173.838 174.600 0.033 0.000 1.101 231 S CA -0.678 57.526 58.200 0.006 0.000 0.950 231 S CB 1.677 64.805 63.200 -0.120 0.000 1.056 231 S HN 0.294 nan 8.310 nan 0.000 0.481 232 I N 2.575 123.182 120.570 0.062 0.000 2.646 232 I HA 0.514 4.684 4.170 0.000 0.000 0.299 232 I C -0.961 175.191 176.117 0.058 0.000 1.036 232 I CA -0.777 60.557 61.300 0.057 0.000 1.074 232 I CB 1.557 39.607 38.000 0.084 0.000 1.258 232 I HN 0.367 nan 8.210 nan 0.000 0.430 233 I N 6.075 126.672 120.570 0.044 0.000 2.411 233 I HA 0.271 4.441 4.170 0.000 0.000 0.284 233 I C -0.397 175.742 176.117 0.036 0.000 1.012 233 I CA -0.604 60.736 61.300 0.066 0.000 1.119 233 I CB 1.550 39.585 38.000 0.059 0.000 1.261 233 I HN 0.152 nan 8.210 nan 0.000 0.448 234 V N 5.989 125.916 119.914 0.022 0.000 2.288 234 V HA 0.563 4.683 4.120 0.000 0.000 0.266 234 V C 0.588 176.678 176.094 -0.007 0.000 1.048 234 V CA -0.469 61.826 62.300 -0.008 0.000 0.842 234 V CB 0.997 32.800 31.823 -0.032 0.000 1.064 234 V HN 0.814 nan 8.190 nan 0.000 0.472 235 A N 4.199 127.022 122.820 0.005 0.000 2.304 235 A HA 0.895 5.215 4.320 0.000 0.000 0.314 235 A C 0.072 177.656 177.584 -0.000 0.000 1.187 235 A CA -0.355 51.690 52.037 0.014 0.000 0.810 235 A CB 1.298 20.320 19.000 0.037 0.000 1.183 235 A HN 1.145 nan 8.150 nan 0.000 0.487 236 A N 2.994 125.814 122.820 -0.001 0.000 2.483 236 A HA 0.647 4.967 4.320 0.000 0.000 0.308 236 A C 0.467 178.061 177.584 0.017 0.000 1.291 236 A CA 0.120 52.158 52.037 0.002 0.000 0.774 236 A CB -0.063 18.935 19.000 -0.004 0.000 1.134 236 A HN 1.357 nan 8.150 nan 0.000 0.471 237 T N -0.809 113.757 114.554 0.020 0.000 2.793 237 T HA 0.527 4.877 4.350 0.000 0.000 0.299 237 T C 1.530 176.249 174.700 0.031 0.000 1.038 237 T CA 0.231 62.347 62.100 0.027 0.000 0.948 237 T CB 0.673 69.556 68.868 0.025 0.000 1.231 237 T HN 1.148 nan 8.240 nan 0.000 0.538 238 A N 0.343 123.182 122.820 0.031 0.000 2.067 238 A HA 0.022 4.342 4.320 0.000 0.000 0.219 238 A C 2.514 180.116 177.584 0.031 0.000 1.158 238 A CA 1.776 53.833 52.037 0.033 0.000 0.661 238 A CB -1.266 17.752 19.000 0.030 0.000 0.801 238 A HN 1.010 nan 8.150 nan 0.000 0.452 239 S N -0.578 115.138 115.700 0.027 0.000 2.470 239 S HA 0.086 4.556 4.470 0.000 0.000 0.222 239 S C 0.554 175.171 174.600 0.028 0.000 1.024 239 S CA -0.252 57.963 58.200 0.024 0.000 0.931 239 S CB -0.259 62.953 63.200 0.019 0.000 0.791 239 S HN 0.578 nan 8.310 nan 0.000 0.513 240 E N 2.180 122.397 120.200 0.029 0.000 2.452 240 E HA 0.346 4.696 4.350 0.000 0.000 0.261 240 E C 0.225 176.854 176.600 0.049 0.000 0.987 240 E CA -0.002 56.417 56.400 0.032 0.000 0.926 240 E CB 0.503 30.217 29.700 0.022 0.000 0.934 240 E HN 0.561 nan 8.360 nan 0.000 0.452 241 A N 2.904 125.760 122.820 0.059 0.000 2.587 241 A HA 0.080 4.400 4.320 0.000 0.000 0.233 241 A C 1.427 179.078 177.584 0.113 0.000 1.049 241 A CA 0.713 52.799 52.037 0.082 0.000 0.754 241 A CB 0.303 19.364 19.000 0.103 0.000 0.977 241 A HN 0.827 nan 8.150 nan 0.000 0.509 242 A N 3.796 126.680 122.820 0.106 0.000 1.958 242 A HA -0.096 4.224 4.320 0.000 0.000 0.221 242 A C -0.103 177.603 177.584 0.204 0.000 1.178 242 A CA 2.135 54.249 52.037 0.129 0.000 0.642 242 A CB -1.626 17.427 19.000 0.089 0.000 0.816 242 A HN 0.661 nan 8.150 nan 0.000 0.453 243 P HA -0.134 nan 4.420 nan 0.000 0.218 243 P C 1.313 178.870 177.300 0.427 0.000 1.148 243 P CA 0.916 64.241 63.100 0.375 0.000 0.822 243 P CB -0.090 31.894 31.700 0.473 0.000 0.784 244 L N -1.446 119.918 121.223 0.235 0.000 2.127 244 L HA -0.082 4.258 4.340 0.000 0.000 0.203 244 L C 2.609 179.534 176.870 0.091 0.000 1.080 244 L CA 1.161 56.041 54.840 0.065 0.000 0.768 244 L CB -0.921 41.118 42.059 -0.034 0.000 0.924 244 L HN -0.072 nan 8.230 nan 0.000 0.444 245 Q N -0.594 119.280 119.800 0.123 0.000 2.096 245 Q HA -0.283 4.057 4.340 0.000 0.000 0.204 245 Q C 2.118 178.202 176.000 0.140 0.000 0.982 245 Q CA 2.237 58.103 55.803 0.106 0.000 0.850 245 Q CB -0.420 28.387 28.738 0.115 0.000 0.901 245 Q HN 0.462 nan 8.270 nan 0.000 0.422 246 Y N 0.929 121.303 120.300 0.123 0.000 2.114 246 Y HA -0.288 4.262 4.550 0.000 0.000 0.282 246 Y C 1.896 177.926 175.900 0.217 0.000 1.165 246 Y CA 1.612 59.818 58.100 0.177 0.000 1.148 246 Y CB -0.287 38.318 38.460 0.242 0.000 0.972 246 Y HN 0.112 nan 8.280 nan 0.000 0.504 247 L N 0.395 121.643 121.223 0.041 0.000 2.209 247 L HA 0.132 4.472 4.340 0.000 0.000 0.207 247 L C 2.556 179.426 176.870 -0.000 0.000 1.094 247 L CA 1.508 56.363 54.840 0.025 0.000 0.790 247 L CB -1.059 41.079 42.059 0.132 0.000 0.932 247 L HN 0.319 nan 8.230 nan 0.000 0.447 248 A N 0.580 123.370 122.820 -0.050 0.000 1.927 248 A HA -0.196 4.124 4.320 0.000 0.000 0.220 248 A C -0.152 177.374 177.584 -0.097 0.000 1.185 248 A CA 2.303 54.302 52.037 -0.064 0.000 0.639 248 A CB -2.011 16.959 19.000 -0.049 0.000 0.820 248 A HN 0.406 nan 8.150 nan 0.000 0.451 249 P HA -0.049 nan 4.420 nan 0.000 0.221 249 P C 0.874 178.051 177.300 -0.205 0.000 1.150 249 P CA 0.813 63.799 63.100 -0.190 0.000 0.800 249 P CB -0.118 31.244 31.700 -0.564 0.000 0.787 250 F N -0.246 119.666 119.950 -0.063 0.000 2.187 250 F HA -0.096 4.431 4.527 0.000 0.000 0.295 250 F C 2.460 178.246 175.800 -0.024 0.000 1.091 250 F CA 1.733 59.688 58.000 -0.074 0.000 1.308 250 F CB -2.080 36.820 39.000 -0.166 0.000 1.030 250 F HN -0.051 nan 8.300 nan 0.000 0.487 251 T N -1.758 112.879 114.554 0.139 0.000 2.867 251 T HA -0.059 4.291 4.350 0.000 0.000 0.268 251 T C 2.111 176.842 174.700 0.052 0.000 1.057 251 T CA 0.970 63.114 62.100 0.074 0.000 1.136 251 T CB -0.725 68.161 68.868 0.030 0.000 0.874 251 T HN 0.176 nan 8.240 nan 0.000 0.466 252 A N 1.525 124.366 122.820 0.035 0.000 1.968 252 A HA 0.490 4.810 4.320 0.000 0.000 0.217 252 A C 2.745 180.356 177.584 0.045 0.000 1.169 252 A CA 1.431 53.475 52.037 0.011 0.000 0.638 252 A CB -1.180 17.787 19.000 -0.055 0.000 0.812 252 A HN 0.736 nan 8.150 nan 0.000 0.446 253 A N -0.396 122.486 122.820 0.103 0.000 1.968 253 A HA 0.011 4.331 4.320 0.000 0.000 0.217 253 A C 2.342 180.001 177.584 0.124 0.000 1.169 253 A CA 1.791 53.913 52.037 0.141 0.000 0.638 253 A CB -0.587 18.525 19.000 0.186 0.000 0.812 253 A HN 0.448 nan 8.150 nan 0.000 0.446 254 S N -0.119 115.647 115.700 0.111 0.000 2.406 254 S HA -0.013 4.457 4.470 0.000 0.000 0.228 254 S C 1.744 176.406 174.600 0.104 0.000 1.020 254 S CA 1.161 59.420 58.200 0.099 0.000 0.965 254 S CB -0.377 62.872 63.200 0.081 0.000 0.798 254 S HN 0.546 nan 8.310 nan 0.000 0.488 255 I N 1.711 122.334 120.570 0.088 0.000 2.233 255 I HA -0.086 4.084 4.170 0.000 0.000 0.243 255 I C 2.747 178.976 176.117 0.187 0.000 1.093 255 I CA 1.144 62.492 61.300 0.079 0.000 1.380 255 I CB -0.812 37.218 38.000 0.049 0.000 1.067 255 I HN 0.376 nan 8.210 nan 0.000 0.413 256 G N 0.135 109.064 108.800 0.215 0.000 2.418 256 G HA2 -0.234 3.726 3.960 0.000 0.000 0.217 256 G HA3 -0.234 3.726 3.960 0.000 0.000 0.217 256 G C 1.509 176.605 174.900 0.327 0.000 1.158 256 G CA 0.548 45.838 45.100 0.316 0.000 0.771 256 G HN 0.390 nan 8.290 nan 0.000 0.545 257 E N -0.769 119.557 120.200 0.209 0.000 2.204 257 E HA -0.161 4.189 4.350 0.000 0.000 0.195 257 E C 1.919 178.601 176.600 0.136 0.000 0.990 257 E CA 0.541 57.034 56.400 0.155 0.000 0.821 257 E CB -0.192 29.573 29.700 0.107 0.000 0.750 257 E HN 0.688 nan 8.360 nan 0.000 0.477 258 W N 0.559 121.827 121.300 -0.053 0.000 2.333 258 W HA -0.259 4.401 4.660 0.000 0.000 0.316 258 W C 1.565 177.969 176.519 -0.191 0.000 1.215 258 W CA 1.676 58.910 57.345 -0.185 0.000 1.278 258 W CB -0.388 28.859 29.460 -0.354 0.000 1.154 258 W HN -0.005 nan 8.180 nan 0.000 0.486 259 F N 0.332 120.453 119.950 0.286 0.000 2.126 259 F HA -0.200 4.327 4.527 0.000 0.000 0.299 259 F C 2.709 178.466 175.800 -0.073 0.000 1.096 259 F CA 2.219 60.281 58.000 0.102 0.000 1.255 259 F CB -1.356 37.764 39.000 0.199 0.000 0.997 259 F HN -0.151 nan 8.300 nan 0.000 0.479 260 R N 0.632 121.239 120.500 0.179 0.000 2.105 260 R HA -0.172 4.168 4.340 0.000 0.000 0.239 260 R C 0.967 177.238 176.300 -0.047 0.000 1.135 260 R CA 1.886 58.034 56.100 0.080 0.000 0.967 260 R CB -0.441 29.919 30.300 0.100 0.000 0.861 260 R HN 0.189 nan 8.270 nan 0.000 0.442 261 D N -0.037 120.271 120.400 -0.154 0.000 2.338 261 D HA -0.011 4.629 4.640 0.000 0.000 0.239 261 D C 0.163 176.255 176.300 -0.347 0.000 1.095 261 D CA 0.473 54.333 54.000 -0.234 0.000 0.888 261 D CB 0.160 40.801 40.800 -0.265 0.000 0.899 261 D HN 0.265 nan 8.370 nan 0.000 0.525 262 N N -1.032 117.456 118.700 -0.354 0.000 2.116 262 N HA 0.109 4.849 4.740 0.000 0.000 0.230 262 N C 1.171 176.557 175.510 -0.208 0.000 1.326 262 N CA 0.478 53.300 53.050 -0.381 0.000 0.867 262 N CB 2.172 40.222 38.487 -0.727 0.000 1.174 262 N HN 0.182 nan 8.380 nan 0.000 0.506 263 G N 1.330 110.039 108.800 -0.152 0.000 2.234 263 G HA2 -0.284 3.676 3.960 0.000 0.000 0.235 263 G HA3 -0.284 3.676 3.960 0.000 0.000 0.235 263 G C 0.159 174.909 174.900 -0.250 0.000 0.997 263 G CA 0.061 45.077 45.100 -0.140 0.000 0.623 263 G HN 0.296 nan 8.290 nan 0.000 0.514 264 K N 0.941 121.247 120.400 -0.156 0.000 2.138 264 K HA 0.581 4.901 4.320 0.000 0.000 0.251 264 K C -0.083 176.385 176.600 -0.220 0.000 1.015 264 K CA -0.347 55.864 56.287 -0.126 0.000 0.917 264 K CB 0.382 33.052 32.500 0.284 0.000 1.021 264 K HN 0.402 nan 8.250 nan 0.000 0.485 265 H N -0.458 118.683 119.070 0.119 0.000 2.495 265 H HA 0.529 5.085 4.556 0.000 0.000 0.348 265 H C -0.817 174.535 175.328 0.040 0.000 1.113 265 H CA -0.882 55.196 56.048 0.050 0.000 1.195 265 H CB 1.865 31.601 29.762 -0.044 0.000 1.521 265 H HN 0.681 nan 8.280 nan 0.000 0.509 266 A N 2.783 125.702 122.820 0.165 0.000 2.365 266 A HA 0.526 4.846 4.320 0.000 0.000 0.318 266 A C -1.143 176.465 177.584 0.041 0.000 1.091 266 A CA -0.678 51.396 52.037 0.062 0.000 0.763 266 A CB 1.450 20.538 19.000 0.146 0.000 1.248 266 A HN 0.469 nan 8.150 nan 0.000 0.442 267 L N 2.738 123.963 121.223 0.003 0.000 2.319 267 L HA 0.707 5.047 4.340 0.000 0.000 0.281 267 L C -0.934 175.914 176.870 -0.036 0.000 1.005 267 L CA -0.376 54.458 54.840 -0.011 0.000 0.828 267 L CB 1.066 43.119 42.059 -0.011 0.000 1.227 267 L HN 0.665 nan 8.230 nan 0.000 0.415 268 I N 5.627 126.144 120.570 -0.088 0.000 2.354 268 I HA 0.547 4.717 4.170 0.000 0.000 0.292 268 I C -1.147 174.770 176.117 -0.334 0.000 0.989 268 I CA -0.601 60.552 61.300 -0.245 0.000 1.188 268 I CB 1.478 39.267 38.000 -0.351 0.000 1.342 268 I HN 0.395 nan 8.210 nan 0.000 0.457 269 V N 8.288 127.984 119.914 -0.363 0.000 2.334 269 V HA 0.284 4.404 4.120 0.000 0.000 0.281 269 V C -0.980 174.791 176.094 -0.539 0.000 1.016 269 V CA -0.472 61.635 62.300 -0.322 0.000 0.832 269 V CB 0.793 32.549 31.823 -0.110 0.000 0.999 269 V HN 0.498 nan 8.190 nan 0.000 0.439 270 Y N 2.618 122.765 120.300 -0.255 0.000 2.535 270 Y HA 0.455 5.005 4.550 0.000 0.000 0.349 270 Y C 0.387 176.109 175.900 -0.296 0.000 0.992 270 Y CA -0.558 57.366 58.100 -0.293 0.000 1.248 270 Y CB 0.648 38.955 38.460 -0.255 0.000 1.124 270 Y HN 0.519 nan 8.280 nan 0.000 0.520 271 D N 3.954 124.185 120.400 -0.281 0.000 2.446 271 D HA 0.156 4.796 4.640 0.000 0.000 0.251 271 D C -1.262 174.959 176.300 -0.132 0.000 1.137 271 D CA -0.456 53.416 54.000 -0.213 0.000 0.890 271 D CB 0.433 41.061 40.800 -0.286 0.000 1.071 271 D HN 0.643 nan 8.370 nan 0.000 0.528 272 D N 1.390 121.750 120.400 -0.066 0.000 2.493 272 D HA 0.193 4.833 4.640 0.000 0.000 0.239 272 D C 0.883 177.146 176.300 -0.063 0.000 1.049 272 D CA -0.725 53.237 54.000 -0.064 0.000 1.008 272 D CB 0.990 41.763 40.800 -0.046 0.000 1.398 272 D HN 0.174 nan 8.370 nan 0.000 0.513 273 L N 0.221 121.374 121.223 -0.116 0.000 2.492 273 L HA -0.009 4.331 4.340 0.000 0.000 0.223 273 L C 1.862 178.712 176.870 -0.032 0.000 1.132 273 L CA 0.287 55.031 54.840 -0.160 0.000 0.850 273 L CB -0.225 41.543 42.059 -0.484 0.000 0.966 273 L HN 0.340 nan 8.230 nan 0.000 0.454 274 S N 0.319 116.005 115.700 -0.023 0.000 2.345 274 S HA -0.150 4.320 4.470 0.000 0.000 0.220 274 S C 1.893 176.563 174.600 0.117 0.000 1.031 274 S CA 1.253 59.480 58.200 0.045 0.000 0.996 274 S CB -0.017 63.196 63.200 0.022 0.000 0.882 274 S HN 0.346 nan 8.310 nan 0.000 0.445 275 K N 1.081 121.532 120.400 0.084 0.000 2.283 275 K HA -0.032 4.288 4.320 0.000 0.000 0.202 275 K C 2.371 179.048 176.600 0.128 0.000 1.048 275 K CA 0.594 56.941 56.287 0.100 0.000 0.948 275 K CB -0.065 32.474 32.500 0.064 0.000 0.742 275 K HN 0.330 nan 8.250 nan 0.000 0.458 276 Q N 0.548 120.421 119.800 0.121 0.000 2.079 276 Q HA -0.126 4.214 4.340 0.000 0.000 0.200 276 Q C 2.011 178.157 176.000 0.244 0.000 0.974 276 Q CA 1.492 57.380 55.803 0.142 0.000 0.840 276 Q CB -0.034 28.745 28.738 0.067 0.000 0.898 276 Q HN 0.327 nan 8.270 nan 0.000 0.430 277 A N 0.028 123.021 122.820 0.288 0.000 1.969 277 A HA -0.096 4.224 4.320 0.000 0.000 0.218 277 A C 2.209 180.083 177.584 0.483 0.000 1.169 277 A CA 1.270 53.538 52.037 0.385 0.000 0.635 277 A CB -0.544 18.652 19.000 0.327 0.000 0.810 277 A HN 0.282 nan 8.150 nan 0.000 0.445 278 V N -0.060 120.073 119.914 0.364 0.000 2.295 278 V HA -0.268 3.852 4.120 0.000 0.000 0.246 278 V C 3.067 179.230 176.094 0.116 0.000 1.049 278 V CA 1.943 64.352 62.300 0.181 0.000 1.024 278 V CB -1.294 30.615 31.823 0.143 0.000 0.648 278 V HN 0.613 nan 8.190 nan 0.000 0.447 279 A N -0.621 122.305 122.820 0.177 0.000 1.883 279 A HA -0.305 4.015 4.320 0.000 0.000 0.217 279 A C 2.209 179.921 177.584 0.213 0.000 1.186 279 A CA 2.273 54.418 52.037 0.180 0.000 0.624 279 A CB -0.902 18.230 19.000 0.221 0.000 0.822 279 A HN 0.630 nan 8.150 nan 0.000 0.444 280 Y N 0.549 120.949 120.300 0.166 0.000 2.207 280 Y HA -0.213 4.337 4.550 0.000 0.000 0.287 280 Y C 2.426 178.342 175.900 0.025 0.000 1.156 280 Y CA 1.931 60.098 58.100 0.112 0.000 1.182 280 Y CB -0.521 38.088 38.460 0.248 0.000 0.979 280 Y HN 0.352 nan 8.280 nan 0.000 0.521 281 R N 0.045 120.498 120.500 -0.077 0.000 2.081 281 R HA -0.230 4.110 4.340 0.000 0.000 0.235 281 R C 2.476 178.657 176.300 -0.197 0.000 1.131 281 R CA 1.835 57.786 56.100 -0.248 0.000 0.960 281 R CB -0.335 29.742 30.300 -0.372 0.000 0.856 281 R HN 0.535 nan 8.270 nan 0.000 0.436 282 Q N 0.149 119.886 119.800 -0.106 0.000 2.061 282 Q HA -0.198 4.142 4.340 0.000 0.000 0.204 282 Q C 1.943 177.895 176.000 -0.081 0.000 0.984 282 Q CA 1.590 57.349 55.803 -0.073 0.000 0.846 282 Q CB -0.035 28.692 28.738 -0.019 0.000 0.902 282 Q HN 0.241 nan 8.270 nan 0.000 0.421 283 L N 0.085 121.258 121.223 -0.083 0.000 1.951 283 L HA -0.270 4.070 4.340 0.000 0.000 0.222 283 L C 2.520 179.306 176.870 -0.140 0.000 1.078 283 L CA 2.180 56.959 54.840 -0.101 0.000 0.778 283 L CB -1.053 40.933 42.059 -0.122 0.000 0.893 283 L HN 0.124 nan 8.230 nan 0.000 0.436 284 S N -0.851 114.703 115.700 -0.243 0.000 2.383 284 S HA -0.150 4.320 4.470 0.000 0.000 0.229 284 S C 1.971 176.483 174.600 -0.146 0.000 1.030 284 S CA 1.256 59.319 58.200 -0.227 0.000 1.002 284 S CB -0.413 62.563 63.200 -0.373 0.000 0.829 284 S HN 0.291 nan 8.310 nan 0.000 0.467 285 L N 0.525 121.663 121.223 -0.141 0.000 2.156 285 L HA 0.023 4.363 4.340 0.000 0.000 0.208 285 L C 1.877 178.706 176.870 -0.068 0.000 1.095 285 L CA 0.876 55.657 54.840 -0.098 0.000 0.770 285 L CB -0.329 41.669 42.059 -0.102 0.000 0.914 285 L HN 0.292 nan 8.230 nan 0.000 0.439 286 L N -0.979 120.206 121.223 -0.064 0.000 2.446 286 L HA -0.042 4.298 4.340 0.000 0.000 0.219 286 L C 1.837 178.686 176.870 -0.036 0.000 1.116 286 L CA 0.294 55.108 54.840 -0.043 0.000 0.844 286 L CB 0.011 42.050 42.059 -0.035 0.000 0.970 286 L HN 0.232 nan 8.230 nan 0.000 0.457 287 L N -0.167 121.028 121.223 -0.047 0.000 2.611 287 L HA 0.138 4.478 4.340 0.000 0.000 0.229 287 L C 0.448 177.298 176.870 -0.033 0.000 1.137 287 L CA -0.007 54.811 54.840 -0.037 0.000 0.901 287 L CB -0.116 41.917 42.059 -0.044 0.000 1.098 287 L HN 0.245 nan 8.230 nan 0.000 0.456 288 R N 0.543 121.021 120.500 -0.037 0.000 3.422 288 R HA -0.163 4.177 4.340 0.000 0.000 0.267 288 R C -0.335 175.946 176.300 -0.030 0.000 1.074 288 R CA 0.394 56.476 56.100 -0.030 0.000 0.718 288 R CB -1.957 28.332 30.300 -0.019 0.000 1.157 288 R HN 0.412 nan 8.270 nan 0.000 0.440 289 R N 1.110 121.584 120.500 -0.044 0.000 2.308 289 R HA 0.243 4.583 4.340 0.000 0.000 0.305 289 R C -2.124 174.154 176.300 -0.036 0.000 1.053 289 R CA -1.931 54.146 56.100 -0.039 0.000 0.957 289 R CB 0.593 30.860 30.300 -0.055 0.000 1.022 289 R HN -0.104 nan 8.270 nan 0.000 0.461 290 P HA 0.030 nan 4.420 nan 0.000 0.262 290 P C -2.210 175.086 177.300 -0.007 0.000 1.199 290 P CA -0.797 62.295 63.100 -0.012 0.000 0.763 290 P CB 0.020 31.719 31.700 -0.003 0.000 0.790 291 P HA 0.110 nan 4.420 nan 0.000 0.271 291 P C 0.613 177.931 177.300 0.030 0.000 1.220 291 P CA 0.118 63.220 63.100 0.002 0.000 0.768 291 P CB 1.094 32.787 31.700 -0.011 0.000 0.848 292 G N 3.198 112.041 108.800 0.071 0.000 3.022 292 G HA2 0.112 4.072 3.960 0.000 0.000 0.157 292 G HA3 0.112 4.072 3.960 0.000 0.000 0.157 292 G C -0.097 174.840 174.900 0.060 0.000 1.691 292 G CA -0.430 44.719 45.100 0.081 0.000 1.079 292 G HN 0.546 nan 8.290 nan 0.000 0.549 293 R N 0.545 121.061 120.500 0.028 0.000 2.490 293 R HA 0.174 4.514 4.340 0.000 0.000 0.280 293 R C 0.045 176.408 176.300 0.104 0.000 1.077 293 R CA 0.223 56.251 56.100 -0.120 0.000 1.065 293 R CB 0.087 30.017 30.300 -0.617 0.000 1.003 293 R HN 0.696 nan 8.270 nan 0.000 0.470 294 E N 2.097 122.355 120.200 0.097 0.000 2.660 294 E HA -0.340 4.010 4.350 0.000 0.000 0.260 294 E C 0.317 177.057 176.600 0.234 0.000 1.122 294 E CA 0.599 57.144 56.400 0.241 0.000 0.755 294 E CB -1.026 28.938 29.700 0.439 0.000 1.345 294 E HN 0.863 nan 8.360 nan 0.000 0.421 295 A N -2.238 120.655 122.820 0.122 0.000 3.413 295 A HA -0.318 4.002 4.320 0.000 0.000 0.268 295 A C 0.162 177.748 177.584 0.005 0.000 1.128 295 A CA 1.887 53.940 52.037 0.026 0.000 1.062 295 A CB -1.943 17.029 19.000 -0.047 0.000 1.121 295 A HN 0.442 nan 8.150 nan 0.000 0.895 296 Y N 0.364 120.733 120.300 0.116 0.000 2.425 296 Y HA 0.385 4.935 4.550 0.000 0.000 0.331 296 Y C -1.544 174.416 175.900 0.100 0.000 1.157 296 Y CA -1.103 57.071 58.100 0.124 0.000 1.372 296 Y CB 0.163 38.766 38.460 0.238 0.000 1.253 296 Y HN 0.170 nan 8.280 nan 0.000 0.536 297 P HA -0.091 nan 4.420 nan 0.000 0.266 297 P C 0.819 178.249 177.300 0.217 0.000 1.186 297 P CA 0.776 63.914 63.100 0.064 0.000 0.767 297 P CB 0.684 32.285 31.700 -0.166 0.000 0.820 298 G N 2.502 111.403 108.800 0.169 0.000 2.503 298 G HA2 -0.237 3.723 3.960 0.000 0.000 0.221 298 G HA3 -0.237 3.723 3.960 0.000 0.000 0.221 298 G C 0.506 175.557 174.900 0.251 0.000 1.131 298 G CA 0.856 46.069 45.100 0.190 0.000 0.756 298 G HN 0.658 nan 8.290 nan 0.000 0.572 299 D N 0.438 121.007 120.400 0.283 0.000 3.071 299 D HA 0.149 4.789 4.640 0.000 0.000 0.259 299 D C 1.351 177.889 176.300 0.396 0.000 1.331 299 D CA -0.573 53.633 54.000 0.344 0.000 0.861 299 D CB 0.512 41.497 40.800 0.308 0.000 1.059 299 D HN 0.097 nan 8.370 nan 0.000 0.486 300 V N -0.055 120.066 119.914 0.344 0.000 3.041 300 V HA -0.064 4.056 4.120 0.000 0.000 0.260 300 V C 1.456 177.570 176.094 0.035 0.000 1.105 300 V CA 0.843 63.272 62.300 0.215 0.000 1.125 300 V CB -0.764 31.155 31.823 0.161 0.000 0.730 300 V HN 0.312 nan 8.190 nan 0.000 0.479 301 F N -0.055 119.904 119.950 0.014 0.000 2.187 301 F HA -0.092 4.435 4.527 0.000 0.000 0.295 301 F C 2.030 177.870 175.800 0.067 0.000 1.091 301 F CA 1.918 59.932 58.000 0.022 0.000 1.308 301 F CB -0.473 38.573 39.000 0.076 0.000 1.030 301 F HN 0.319 nan 8.300 nan 0.000 0.487 302 Y N 0.451 120.762 120.300 0.019 0.000 2.421 302 Y HA -0.123 4.427 4.550 0.000 0.000 0.292 302 Y C 2.008 177.819 175.900 -0.148 0.000 1.136 302 Y CA 1.320 59.371 58.100 -0.081 0.000 1.255 302 Y CB -0.478 38.025 38.460 0.071 0.000 0.991 302 Y HN 0.229 nan 8.280 nan 0.000 0.552 303 L N -0.367 120.729 121.223 -0.211 0.000 2.012 303 L HA -0.252 4.088 4.340 0.000 0.000 0.210 303 L C 2.025 178.694 176.870 -0.335 0.000 1.073 303 L CA 2.298 56.940 54.840 -0.331 0.000 0.748 303 L CB -0.578 41.228 42.059 -0.421 0.000 0.891 303 L HN 0.314 nan 8.230 nan 0.000 0.431 304 H N -2.171 116.721 119.070 -0.297 0.000 2.497 304 H HA 0.024 4.580 4.556 0.000 0.000 0.282 304 H C 2.316 177.389 175.328 -0.426 0.000 1.003 304 H CA 0.709 56.540 56.048 -0.362 0.000 1.307 304 H CB 0.149 29.713 29.762 -0.330 0.000 1.437 304 H HN 0.489 nan 8.280 nan 0.000 0.544 305 S N 1.355 116.782 115.700 -0.456 0.000 2.406 305 S HA -0.161 4.309 4.470 0.000 0.000 0.228 305 S C 2.031 176.440 174.600 -0.318 0.000 1.020 305 S CA 0.790 58.702 58.200 -0.481 0.000 0.965 305 S CB -0.103 62.647 63.200 -0.750 0.000 0.798 305 S HN 0.534 nan 8.310 nan 0.000 0.488 306 R N 0.511 120.772 120.500 -0.397 0.000 2.161 306 R HA 0.231 4.571 4.340 0.000 0.000 0.213 306 R C 2.237 178.449 176.300 -0.147 0.000 1.055 306 R CA 0.822 56.742 56.100 -0.301 0.000 0.996 306 R CB -0.642 29.352 30.300 -0.509 0.000 0.901 306 R HN 0.433 nan 8.270 nan 0.000 0.456 307 L N 1.144 122.289 121.223 -0.130 0.000 2.023 307 L HA 0.045 4.386 4.340 0.000 0.000 0.205 307 L C 2.065 178.839 176.870 -0.160 0.000 1.073 307 L CA 1.502 56.275 54.840 -0.112 0.000 0.745 307 L CB -0.284 41.591 42.059 -0.305 0.000 0.900 307 L HN 0.187 nan 8.230 nan 0.000 0.435 308 L N -0.563 120.539 121.223 -0.202 0.000 2.156 308 L HA -0.061 4.279 4.340 0.000 0.000 0.208 308 L C 2.414 179.245 176.870 -0.065 0.000 1.095 308 L CA 0.634 55.386 54.840 -0.146 0.000 0.770 308 L CB -0.498 41.456 42.059 -0.174 0.000 0.914 308 L HN 0.289 nan 8.230 nan 0.000 0.439 309 E N 0.216 120.373 120.200 -0.071 0.000 2.401 309 E HA -0.178 4.172 4.350 0.000 0.000 0.199 309 E C 2.102 178.699 176.600 -0.006 0.000 1.023 309 E CA 0.629 57.009 56.400 -0.034 0.000 0.859 309 E CB 0.070 29.747 29.700 -0.038 0.000 0.780 309 E HN 0.468 nan 8.360 nan 0.000 0.523 310 R N 0.288 120.789 120.500 0.002 0.000 2.115 310 R HA 0.055 4.395 4.340 0.000 0.000 0.226 310 R C 0.999 177.328 176.300 0.048 0.000 1.100 310 R CA 0.591 56.711 56.100 0.032 0.000 0.980 310 R CB 0.049 30.380 30.300 0.052 0.000 0.875 310 R HN -0.088 nan 8.270 nan 0.000 0.445 311 A N 1.291 124.142 122.820 0.051 0.000 2.438 311 A HA 0.546 4.866 4.320 0.000 0.000 0.280 311 A C -0.223 177.382 177.584 0.035 0.000 1.160 311 A CA 0.150 52.221 52.037 0.056 0.000 0.821 311 A CB 0.071 19.112 19.000 0.067 0.000 1.101 311 A HN 0.338 nan 8.150 nan 0.000 0.515 312 A N 2.630 125.472 122.820 0.038 0.000 2.588 312 A HA 0.812 5.132 4.320 0.000 0.000 0.290 312 A C -0.758 176.846 177.584 0.033 0.000 1.136 312 A CA -0.778 51.276 52.037 0.029 0.000 0.681 312 A CB 1.065 20.082 19.000 0.028 0.000 1.282 312 A HN 0.765 nan 8.150 nan 0.000 0.421 313 K N 0.827 121.244 120.400 0.029 0.000 2.358 313 K HA 0.688 5.008 4.320 0.000 0.000 0.260 313 K C -1.332 175.295 176.600 0.044 0.000 0.956 313 K CA -0.228 56.080 56.287 0.036 0.000 0.834 313 K CB 0.501 33.016 32.500 0.026 0.000 1.102 313 K HN 0.585 nan 8.250 nan 0.000 0.431 314 L N 2.675 123.930 121.223 0.053 0.000 2.421 314 L HA 0.427 4.767 4.340 0.000 0.000 0.263 314 L C 0.665 177.561 176.870 0.043 0.000 1.122 314 L CA -0.788 54.076 54.840 0.041 0.000 0.804 314 L CB 1.433 43.512 42.059 0.033 0.000 1.150 314 L HN 0.870 nan 8.230 nan 0.000 0.457 315 S N -0.336 115.380 115.700 0.026 0.000 2.661 315 S HA 0.144 4.614 4.470 0.000 0.000 0.265 315 S C 0.751 175.362 174.600 0.018 0.000 1.225 315 S CA -0.600 57.612 58.200 0.020 0.000 0.986 315 S CB 0.907 64.112 63.200 0.009 0.000 1.008 315 S HN 0.664 nan 8.310 nan 0.000 0.565 316 E N 0.339 120.545 120.200 0.011 0.000 2.110 316 E HA -0.160 4.190 4.350 0.000 0.000 0.193 316 E C 1.813 178.413 176.600 0.000 0.000 0.988 316 E CA 0.988 57.393 56.400 0.008 0.000 0.804 316 E CB -0.159 29.543 29.700 0.002 0.000 0.745 316 E HN 0.696 nan 8.360 nan 0.000 0.458 317 K N 0.800 121.199 120.400 -0.002 0.000 2.442 317 K HA -0.120 4.200 4.320 0.000 0.000 0.198 317 K C 0.810 177.403 176.600 -0.011 0.000 1.042 317 K CA 0.888 57.171 56.287 -0.007 0.000 0.958 317 K CB 0.344 32.840 32.500 -0.006 0.000 0.766 317 K HN -0.006 nan 8.250 nan 0.000 0.474 318 E N -0.999 119.196 120.200 -0.009 0.000 2.603 318 E HA 0.119 4.469 4.350 0.000 0.000 0.211 318 E C 0.659 177.243 176.600 -0.026 0.000 0.995 318 E CA 0.474 56.863 56.400 -0.018 0.000 0.990 318 E CB 1.288 30.981 29.700 -0.011 0.000 1.036 318 E HN 0.434 nan 8.360 nan 0.000 0.475 319 G N 1.343 110.131 108.800 -0.020 0.000 2.175 319 G HA2 -0.348 3.612 3.960 0.000 0.000 0.244 319 G HA3 -0.348 3.612 3.960 0.000 0.000 0.244 319 G C 0.714 175.611 174.900 -0.006 0.000 0.982 319 G CA 0.360 45.443 45.100 -0.028 0.000 0.641 319 G HN 0.124 nan 8.290 nan 0.000 0.527 320 S N -1.632 114.082 115.700 0.023 0.000 3.011 320 S HA -0.208 4.262 4.470 0.000 0.000 0.278 320 S C 1.866 176.539 174.600 0.123 0.000 1.300 320 S CA 1.909 60.152 58.200 0.073 0.000 1.248 320 S CB -1.317 61.937 63.200 0.089 0.000 1.517 320 S HN 2.305 nan 8.310 nan 0.000 0.685 321 G N 1.117 109.954 108.800 0.061 0.000 2.690 321 G HA2 0.442 4.402 3.960 0.000 0.000 0.239 321 G HA3 0.442 4.402 3.960 0.000 0.000 0.239 321 G C -0.038 174.965 174.900 0.172 0.000 1.233 321 G CA 0.540 45.690 45.100 0.083 0.000 0.847 321 G HN 1.197 nan 8.290 nan 0.000 0.588 322 S N -0.646 115.219 115.700 0.275 0.000 2.588 322 S HA 0.648 5.118 4.470 0.000 0.000 0.275 322 S C -1.300 173.391 174.600 0.151 0.000 1.130 322 S CA -0.926 57.379 58.200 0.176 0.000 0.855 322 S CB 2.079 65.339 63.200 0.100 0.000 1.116 322 S HN 0.782 nan 8.310 nan 0.000 0.472 323 L N 1.507 122.788 121.223 0.097 0.000 2.341 323 L HA 0.766 5.106 4.340 0.000 0.000 0.278 323 L C -0.807 176.092 176.870 0.049 0.000 1.005 323 L CA 0.198 55.091 54.840 0.089 0.000 0.818 323 L CB 1.808 43.926 42.059 0.098 0.000 1.259 323 L HN 0.966 nan 8.230 nan 0.000 0.418 324 T N 4.319 118.891 114.554 0.030 0.000 2.824 324 T HA 0.863 5.213 4.350 0.000 0.000 0.282 324 T C -0.624 174.081 174.700 0.008 0.000 0.993 324 T CA -0.398 61.704 62.100 0.004 0.000 0.967 324 T CB 1.516 70.367 68.868 -0.029 0.000 0.960 324 T HN 0.788 nan 8.240 nan 0.000 0.441 325 A N 3.215 126.048 122.820 0.022 0.000 2.350 325 A HA 0.857 5.177 4.320 0.000 0.000 0.324 325 A C -0.862 176.739 177.584 0.029 0.000 1.118 325 A CA -0.784 51.283 52.037 0.050 0.000 0.783 325 A CB 0.780 19.871 19.000 0.152 0.000 1.236 325 A HN 0.842 nan 8.150 nan 0.000 0.457 326 L N 3.698 124.935 121.223 0.024 0.000 2.433 326 L HA 0.353 4.693 4.340 0.000 0.000 0.256 326 L C -2.443 174.447 176.870 0.033 0.000 1.063 326 L CA -1.698 53.145 54.840 0.006 0.000 0.922 326 L CB 1.698 43.749 42.059 -0.013 0.000 1.238 326 L HN 0.478 nan 8.230 nan 0.000 0.466 327 P HA 0.176 nan 4.420 nan 0.000 0.274 327 P C -0.576 176.677 177.300 -0.079 0.000 1.231 327 P CA -0.207 62.889 63.100 -0.007 0.000 0.790 327 P CB 2.153 33.764 31.700 -0.150 0.000 0.951 328 V N 4.054 123.913 119.914 -0.093 0.000 2.495 328 V HA 0.384 4.504 4.120 0.000 0.000 0.298 328 V C 0.194 176.213 176.094 -0.124 0.000 1.031 328 V CA -0.580 61.661 62.300 -0.099 0.000 0.871 328 V CB 1.702 33.484 31.823 -0.068 0.000 0.988 328 V HN 0.400 nan 8.190 nan 0.000 0.432 329 I N 3.641 124.135 120.570 -0.127 0.000 2.466 329 I HA 0.410 4.580 4.170 0.000 0.000 0.289 329 I C 0.027 176.096 176.117 -0.081 0.000 1.026 329 I CA -0.427 60.803 61.300 -0.116 0.000 1.078 329 I CB 1.956 39.869 38.000 -0.145 0.000 1.249 329 I HN 0.731 nan 8.210 nan 0.000 0.429 330 E N 5.367 125.540 120.200 -0.046 0.000 2.130 330 E HA 0.313 4.663 4.350 0.000 0.000 0.284 330 E C -0.467 176.130 176.600 -0.004 0.000 1.018 330 E CA -0.312 56.074 56.400 -0.022 0.000 0.817 330 E CB 1.000 30.697 29.700 -0.005 0.000 1.078 330 E HN 0.685 nan 8.360 nan 0.000 0.396 331 T N 1.976 116.531 114.554 0.002 0.000 2.907 331 T HA 0.279 4.629 4.350 0.000 0.000 0.284 331 T C 0.058 174.782 174.700 0.040 0.000 1.004 331 T CA -1.044 61.072 62.100 0.027 0.000 1.063 331 T CB 1.604 70.498 68.868 0.043 0.000 0.992 331 T HN 0.302 nan 8.240 nan 0.000 0.483 332 Q N 1.111 120.942 119.800 0.051 0.000 2.294 332 Q HA 0.419 4.759 4.340 0.000 0.000 0.257 332 Q C 1.259 177.292 176.000 0.054 0.000 0.955 332 Q CA 0.551 56.386 55.803 0.052 0.000 0.936 332 Q CB 0.921 29.695 28.738 0.060 0.000 1.188 332 Q HN 1.306 nan 8.270 nan 0.000 0.420 333 G N 2.237 111.067 108.800 0.050 0.000 2.283 333 G HA2 -0.261 3.699 3.960 0.000 0.000 0.280 333 G HA3 -0.261 3.699 3.960 0.000 0.000 0.280 333 G C 0.755 175.689 174.900 0.057 0.000 1.029 333 G CA 0.872 46.002 45.100 0.050 0.000 0.840 333 G HN 1.281 nan 8.290 nan 0.000 0.505 334 G N -0.834 108.006 108.800 0.068 0.000 2.249 334 G HA2 -0.168 3.792 3.960 0.000 0.000 0.273 334 G HA3 -0.168 3.792 3.960 0.000 0.000 0.273 334 G C 0.053 175.008 174.900 0.092 0.000 1.036 334 G CA 0.901 46.054 45.100 0.088 0.000 0.824 334 G HN 1.330 nan 8.290 nan 0.000 0.504 335 D N 0.081 120.533 120.400 0.087 0.000 2.479 335 D HA 0.409 5.049 4.640 0.000 0.000 0.218 335 D C 1.538 177.903 176.300 0.108 0.000 1.131 335 D CA 0.118 54.168 54.000 0.084 0.000 0.916 335 D CB 0.756 41.598 40.800 0.070 0.000 1.022 335 D HN 0.577 nan 8.370 nan 0.000 0.515 336 V N 1.259 121.257 119.914 0.141 0.000 3.646 336 V HA 0.186 4.307 4.120 0.000 0.000 0.277 336 V C 0.761 176.944 176.094 0.149 0.000 1.274 336 V CA 0.425 62.846 62.300 0.202 0.000 1.164 336 V CB -0.020 32.038 31.823 0.392 0.000 0.926 336 V HN 0.320 nan 8.190 nan 0.000 0.442 337 S N 0.707 116.470 115.700 0.106 0.000 2.578 337 S HA 0.665 5.135 4.470 0.000 0.000 0.231 337 S C 1.039 175.695 174.600 0.093 0.000 0.994 337 S CA 0.271 58.525 58.200 0.090 0.000 0.956 337 S CB 0.517 63.758 63.200 0.067 0.000 0.870 337 S HN 0.878 nan 8.310 nan 0.000 0.494 338 A N 0.967 123.844 122.820 0.096 0.000 2.327 338 A HA 0.452 4.772 4.320 0.000 0.000 0.255 338 A C 0.932 178.606 177.584 0.150 0.000 1.099 338 A CA -0.196 51.908 52.037 0.111 0.000 0.801 338 A CB -0.128 18.930 19.000 0.096 0.000 1.062 338 A HN 0.277 nan 8.150 nan 0.000 0.496 339 Y N 0.665 120.968 120.300 0.004 0.000 2.036 339 Y HA -0.228 4.322 4.550 0.000 0.000 0.273 339 Y C 1.936 177.818 175.900 -0.030 0.000 1.135 339 Y CA 2.274 60.366 58.100 -0.015 0.000 1.106 339 Y CB -0.355 38.087 38.460 -0.029 0.000 0.976 339 Y HN 0.457 nan 8.280 nan 0.000 0.483 340 I N 0.624 121.051 120.570 -0.238 0.000 2.252 340 I HA -0.165 4.005 4.170 0.000 0.000 0.245 340 I C -0.419 175.624 176.117 -0.123 0.000 1.102 340 I CA 1.151 62.257 61.300 -0.323 0.000 1.385 340 I CB -2.895 34.888 38.000 -0.361 0.000 1.064 340 I HN 0.189 nan 8.210 nan 0.000 0.414 341 P HA -0.114 nan 4.420 nan 0.000 0.216 341 P C 1.707 179.009 177.300 0.004 0.000 1.153 341 P CA 1.769 64.850 63.100 -0.030 0.000 0.858 341 P CB -0.208 31.498 31.700 0.012 0.000 0.789 342 T N -1.451 113.131 114.554 0.045 0.000 2.951 342 T HA -0.072 4.278 4.350 0.000 0.000 0.268 342 T C 1.564 176.318 174.700 0.090 0.000 1.073 342 T CA 0.989 63.136 62.100 0.078 0.000 1.134 342 T CB -0.784 68.147 68.868 0.104 0.000 0.884 342 T HN 0.083 nan 8.240 nan 0.000 0.479 343 N N 1.327 120.076 118.700 0.082 0.000 2.025 343 N HA -0.081 4.659 4.740 0.000 0.000 0.194 343 N C 1.934 177.546 175.510 0.170 0.000 1.044 343 N CA 0.980 54.145 53.050 0.193 0.000 0.851 343 N CB -0.886 37.688 38.487 0.146 0.000 1.036 343 N HN 0.195 nan 8.380 nan 0.000 0.422 344 V N 1.299 121.231 119.914 0.029 0.000 2.515 344 V HA -0.111 4.009 4.120 0.000 0.000 0.250 344 V C 2.117 178.196 176.094 -0.025 0.000 1.058 344 V CA 1.009 63.274 62.300 -0.058 0.000 1.064 344 V CB -0.452 31.260 31.823 -0.185 0.000 0.675 344 V HN 0.256 nan 8.190 nan 0.000 0.461 345 I N 1.238 121.810 120.570 0.002 0.000 2.315 345 I HA -0.198 3.972 4.170 0.000 0.000 0.248 345 I C 2.561 178.713 176.117 0.057 0.000 1.117 345 I CA 1.704 63.017 61.300 0.021 0.000 1.404 345 I CB -0.448 37.582 38.000 0.051 0.000 1.071 345 I HN 0.462 nan 8.210 nan 0.000 0.419 346 S N 0.540 116.298 115.700 0.097 0.000 2.481 346 S HA -0.001 4.469 4.470 0.000 0.000 0.231 346 S C 1.790 176.473 174.600 0.139 0.000 0.996 346 S CA 0.594 58.870 58.200 0.126 0.000 0.942 346 S CB -0.475 62.821 63.200 0.161 0.000 0.768 346 S HN 0.414 nan 8.310 nan 0.000 0.520 347 I N 1.983 122.619 120.570 0.110 0.000 2.368 347 I HA 0.004 4.174 4.170 0.000 0.000 0.238 347 I C 1.684 177.810 176.117 0.016 0.000 1.076 347 I CA 0.821 62.153 61.300 0.054 0.000 1.397 347 I CB -0.881 37.098 38.000 -0.035 0.000 1.141 347 I HN 0.350 nan 8.210 nan 0.000 0.430 348 T N -1.006 113.542 114.554 -0.010 0.000 2.795 348 T HA -0.026 4.324 4.350 0.000 0.000 0.314 348 T C 0.457 175.158 174.700 0.002 0.000 1.069 348 T CA -0.310 61.778 62.100 -0.019 0.000 1.071 348 T CB 0.474 69.316 68.868 -0.043 0.000 0.988 348 T HN 0.156 nan 8.240 nan 0.000 0.543 349 D N 0.821 121.221 120.400 0.000 0.000 2.325 349 D HA 0.344 4.984 4.640 0.000 0.000 0.234 349 D C 1.006 177.314 176.300 0.014 0.000 1.122 349 D CA 0.512 54.519 54.000 0.010 0.000 0.850 349 D CB -0.292 40.512 40.800 0.007 0.000 0.921 349 D HN 0.969 nan 8.370 nan 0.000 0.513 350 G N 0.559 109.365 108.800 0.010 0.000 2.361 350 G HA2 0.233 4.193 3.960 0.000 0.000 0.305 350 G HA3 0.233 4.193 3.960 0.000 0.000 0.305 350 G C -1.949 172.948 174.900 -0.006 0.000 1.367 350 G CA -0.999 44.112 45.100 0.019 0.000 0.951 350 G HN 0.049 nan 8.290 nan 0.000 0.615 351 Q N -0.952 118.850 119.800 0.003 0.000 2.379 351 Q HA 0.742 5.082 4.340 0.000 0.000 0.278 351 Q C -0.705 175.273 176.000 -0.037 0.000 1.068 351 Q CA -0.681 55.077 55.803 -0.075 0.000 0.816 351 Q CB 2.375 30.994 28.738 -0.199 0.000 1.387 351 Q HN 0.658 nan 8.270 nan 0.000 0.413 352 I N 1.967 122.482 120.570 -0.093 0.000 2.304 352 I HA 0.341 4.511 4.170 0.000 0.000 0.291 352 I C -0.867 175.189 176.117 -0.102 0.000 1.018 352 I CA -0.384 60.898 61.300 -0.029 0.000 1.260 352 I CB 0.420 38.410 38.000 -0.016 0.000 1.390 352 I HN 0.473 nan 8.210 nan 0.000 0.475 353 F N 6.998 126.956 119.950 0.013 0.000 2.405 353 F HA 0.484 5.011 4.527 0.000 0.000 0.355 353 F C -0.080 175.732 175.800 0.020 0.000 1.121 353 F CA -0.287 57.721 58.000 0.014 0.000 1.112 353 F CB 0.913 39.923 39.000 0.016 0.000 1.126 353 F HN 0.173 nan 8.300 nan 0.000 0.481 354 L N 4.403 125.740 121.223 0.190 0.000 2.341 354 L HA 0.551 4.891 4.340 0.000 0.000 0.278 354 L C -0.783 176.172 176.870 0.142 0.000 1.005 354 L CA -0.696 54.226 54.840 0.137 0.000 0.818 354 L CB 1.895 43.992 42.059 0.063 0.000 1.259 354 L HN 0.520 nan 8.230 nan 0.000 0.418 355 E N 1.450 121.726 120.200 0.125 0.000 2.241 355 E HA 0.347 4.697 4.350 0.000 0.000 0.263 355 E C 0.184 176.839 176.600 0.091 0.000 0.882 355 E CA -0.539 55.923 56.400 0.104 0.000 0.769 355 E CB 2.334 32.094 29.700 0.099 0.000 1.185 355 E HN 0.735 nan 8.360 nan 0.000 0.415 356 A N 2.980 125.834 122.820 0.056 0.000 1.986 356 A HA -0.270 4.050 4.320 0.000 0.000 0.220 356 A C 1.917 179.589 177.584 0.147 0.000 1.171 356 A CA 1.796 53.849 52.037 0.028 0.000 0.640 356 A CB -0.264 18.785 19.000 0.082 0.000 0.811 356 A HN 0.749 nan 8.150 nan 0.000 0.451 357 E N -0.330 119.966 120.200 0.161 0.000 2.106 357 E HA -0.119 4.231 4.350 0.000 0.000 0.192 357 E C 1.881 178.571 176.600 0.150 0.000 0.984 357 E CA 0.879 57.385 56.400 0.177 0.000 0.806 357 E CB -0.142 29.626 29.700 0.114 0.000 0.750 357 E HN 0.673 nan 8.360 nan 0.000 0.458 358 L N -0.021 121.271 121.223 0.115 0.000 2.156 358 L HA -0.100 4.240 4.340 0.000 0.000 0.208 358 L C 2.335 179.244 176.870 0.066 0.000 1.095 358 L CA 0.471 55.363 54.840 0.087 0.000 0.770 358 L CB -0.322 41.784 42.059 0.079 0.000 0.914 358 L HN 0.191 nan 8.230 nan 0.000 0.439 359 F N -0.129 119.758 119.950 -0.105 0.000 2.102 359 F HA -0.281 4.246 4.527 0.000 0.000 0.298 359 F C 2.223 177.889 175.800 -0.224 0.000 1.105 359 F CA 1.712 59.572 58.000 -0.233 0.000 1.239 359 F CB -0.162 38.576 39.000 -0.437 0.000 0.991 359 F HN -0.024 nan 8.300 nan 0.000 0.474 360 Y N 0.112 120.538 120.300 0.209 0.000 2.395 360 Y HA -0.021 4.529 4.550 0.000 0.000 0.293 360 Y C 2.218 178.139 175.900 0.034 0.000 1.123 360 Y CA 0.780 58.954 58.100 0.124 0.000 1.227 360 Y CB -0.750 37.794 38.460 0.139 0.000 1.012 360 Y HN -0.053 nan 8.280 nan 0.000 0.552 361 K N -0.720 119.772 120.400 0.152 0.000 2.281 361 K HA -0.083 4.237 4.320 0.000 0.000 0.203 361 K C 1.532 178.147 176.600 0.024 0.000 1.046 361 K CA 1.185 57.520 56.287 0.080 0.000 0.938 361 K CB -0.348 32.191 32.500 0.064 0.000 0.737 361 K HN 0.536 nan 8.250 nan 0.000 0.458 362 G N 0.413 109.188 108.800 -0.041 0.000 2.255 362 G HA2 -0.150 3.810 3.960 0.000 0.000 0.196 362 G HA3 -0.150 3.810 3.960 0.000 0.000 0.196 362 G C 0.064 174.875 174.900 -0.148 0.000 0.998 362 G CA -0.324 44.715 45.100 -0.103 0.000 0.656 362 G HN 0.095 nan 8.290 nan 0.000 0.490 363 I N 1.951 122.457 120.570 -0.107 0.000 2.471 363 I HA 0.465 4.635 4.170 0.000 0.000 0.294 363 I C 0.557 176.578 176.117 -0.159 0.000 1.123 363 I CA 0.329 61.578 61.300 -0.085 0.000 1.336 363 I CB -0.539 37.455 38.000 -0.011 0.000 1.430 363 I HN 0.172 nan 8.210 nan 0.000 0.533 364 R N 7.167 127.559 120.500 -0.180 0.000 2.564 364 R HA 0.468 4.808 4.340 0.000 0.000 0.284 364 R C -2.647 173.600 176.300 -0.089 0.000 1.031 364 R CA -1.555 54.428 56.100 -0.195 0.000 0.904 364 R CB 2.271 32.330 30.300 -0.401 0.000 1.199 364 R HN 0.340 nan 8.270 nan 0.000 0.443 365 P HA 0.003 nan 4.420 nan 0.000 0.268 365 P C -0.343 176.978 177.300 0.036 0.000 1.205 365 P CA -0.136 62.973 63.100 0.014 0.000 0.771 365 P CB 0.963 32.676 31.700 0.022 0.000 0.858 366 A N 4.190 127.069 122.820 0.099 0.000 2.604 366 A HA 0.139 4.459 4.320 0.000 0.000 0.248 366 A C 0.787 178.433 177.584 0.104 0.000 1.466 366 A CA -0.315 51.789 52.037 0.112 0.000 1.222 366 A CB -1.524 17.606 19.000 0.217 0.000 0.945 366 A HN 0.497 nan 8.150 nan 0.000 0.600 367 I N 1.674 122.295 120.570 0.085 0.000 2.494 367 I HA -0.039 4.131 4.170 0.000 0.000 0.289 367 I C 0.794 176.969 176.117 0.097 0.000 1.106 367 I CA -0.115 61.244 61.300 0.098 0.000 1.369 367 I CB 0.239 38.287 38.000 0.079 0.000 1.410 367 I HN 0.416 nan 8.210 nan 0.000 0.523 368 N N 6.543 125.314 118.700 0.119 0.000 2.416 368 N HA 0.014 4.754 4.740 0.000 0.000 0.265 368 N C 0.728 176.281 175.510 0.072 0.000 1.195 368 N CA -0.069 53.026 53.050 0.075 0.000 0.943 368 N CB 1.300 39.807 38.487 0.033 0.000 1.115 368 N HN 0.414 nan 8.380 nan 0.000 0.481 369 V N 3.559 123.507 119.914 0.057 0.000 3.217 369 V HA 0.006 4.126 4.120 0.000 0.000 0.264 369 V C 2.229 178.345 176.094 0.037 0.000 1.135 369 V CA 1.414 63.749 62.300 0.058 0.000 1.142 369 V CB -0.342 31.519 31.823 0.062 0.000 0.754 369 V HN 0.760 nan 8.190 nan 0.000 0.484 370 G N 0.120 108.924 108.800 0.006 0.000 2.408 370 G HA2 -0.067 3.893 3.960 0.000 0.000 0.215 370 G HA3 -0.067 3.893 3.960 0.000 0.000 0.215 370 G C 1.441 176.317 174.900 -0.039 0.000 1.156 370 G CA 0.545 45.632 45.100 -0.021 0.000 0.793 370 G HN 0.504 nan 8.290 nan 0.000 0.535 371 L N 0.363 121.540 121.223 -0.076 0.000 2.515 371 L HA 0.260 4.600 4.340 0.000 0.000 0.223 371 L C 0.850 177.790 176.870 0.117 0.000 1.079 371 L CA -0.049 54.723 54.840 -0.113 0.000 0.857 371 L CB 0.420 42.144 42.059 -0.559 0.000 1.050 371 L HN -0.065 nan 8.230 nan 0.000 0.476 372 S N 1.183 116.987 115.700 0.174 0.000 2.481 372 S HA 0.376 4.846 4.470 0.000 0.000 0.276 372 S C -0.162 174.515 174.600 0.128 0.000 1.247 372 S CA -0.414 57.920 58.200 0.224 0.000 1.053 372 S CB 0.852 64.167 63.200 0.191 0.000 0.925 372 S HN 0.107 nan 8.310 nan 0.000 0.491 373 V N 1.450 121.435 119.914 0.117 0.000 2.823 373 V HA 0.848 4.968 4.120 0.000 0.000 0.312 373 V C -0.172 175.956 176.094 0.056 0.000 1.072 373 V CA -0.823 61.522 62.300 0.076 0.000 0.937 373 V CB 1.997 33.863 31.823 0.070 0.000 1.013 373 V HN 0.603 nan 8.190 nan 0.000 0.430 374 S N 2.197 117.922 115.700 0.041 0.000 2.530 374 S HA 0.501 4.971 4.470 0.000 0.000 0.322 374 S C 0.747 175.363 174.600 0.026 0.000 1.085 374 S CA -0.737 57.479 58.200 0.027 0.000 1.096 374 S CB 1.297 64.509 63.200 0.019 0.000 0.988 374 S HN 0.832 nan 8.310 nan 0.000 0.466 375 R N 2.935 123.449 120.500 0.024 0.000 2.189 375 R HA 0.005 4.345 4.340 0.000 0.000 0.218 375 R C 1.667 177.979 176.300 0.020 0.000 1.074 375 R CA 0.877 56.992 56.100 0.024 0.000 0.991 375 R CB -0.234 30.081 30.300 0.025 0.000 0.883 375 R HN 0.543 nan 8.270 nan 0.000 0.457 376 V N 0.360 120.283 119.914 0.015 0.000 2.427 376 V HA -0.074 4.046 4.120 0.000 0.000 0.248 376 V C 1.530 177.632 176.094 0.014 0.000 1.051 376 V CA 1.594 63.901 62.300 0.012 0.000 1.048 376 V CB -0.882 30.944 31.823 0.004 0.000 0.666 376 V HN 0.709 nan 8.190 nan 0.000 0.456 377 G N 0.575 109.384 108.800 0.015 0.000 2.525 377 G HA2 -0.323 3.637 3.960 0.000 0.000 0.248 377 G HA3 -0.323 3.637 3.960 0.000 0.000 0.248 377 G C 0.852 175.761 174.900 0.015 0.000 1.238 377 G CA 0.690 45.800 45.100 0.018 0.000 0.926 377 G HN 1.015 nan 8.290 nan 0.000 0.574 378 S N 0.315 116.025 115.700 0.017 0.000 2.607 378 S HA 0.419 4.889 4.470 0.000 0.000 0.224 378 S C 2.420 177.029 174.600 0.016 0.000 0.969 378 S CA 1.330 59.540 58.200 0.016 0.000 0.927 378 S CB 0.010 63.222 63.200 0.020 0.000 0.772 378 S HN 2.066 nan 8.310 nan 0.000 0.533 379 A N 1.838 124.669 122.820 0.019 0.000 1.898 379 A HA 0.451 4.771 4.320 0.000 0.000 0.216 379 A C 1.953 179.554 177.584 0.029 0.000 1.181 379 A CA 1.208 53.263 52.037 0.029 0.000 0.620 379 A CB -0.999 18.021 19.000 0.034 0.000 0.819 379 A HN 1.002 nan 8.150 nan 0.000 0.442 380 A N -0.706 122.118 122.820 0.006 0.000 3.181 380 A HA 0.513 4.833 4.320 0.000 0.000 0.293 380 A C 0.200 177.758 177.584 -0.044 0.000 1.346 380 A CA -0.216 51.800 52.037 -0.034 0.000 1.018 380 A CB -0.332 18.635 19.000 -0.054 0.000 1.093 380 A HN 0.561 nan 8.150 nan 0.000 0.629 381 Q N -0.101 119.685 119.800 -0.023 0.000 2.451 381 Q HA 0.543 4.883 4.340 0.000 0.000 0.281 381 Q C -1.238 174.754 176.000 -0.013 0.000 1.099 381 Q CA -0.706 55.086 55.803 -0.017 0.000 0.806 381 Q CB 2.426 31.165 28.738 0.001 0.000 1.419 381 Q HN 0.197 nan 8.270 nan 0.000 0.427 382 V N 4.220 124.130 119.914 -0.007 0.000 2.529 382 V HA -0.025 4.095 4.120 0.000 0.000 0.292 382 V C 1.133 177.235 176.094 0.014 0.000 1.028 382 V CA 0.100 62.402 62.300 0.003 0.000 1.074 382 V CB 0.679 32.512 31.823 0.016 0.000 0.958 382 V HN 0.768 nan 8.190 nan 0.000 0.481 383 K N 3.775 124.184 120.400 0.014 0.000 2.280 383 K HA -0.120 4.200 4.320 0.000 0.000 0.202 383 K C 1.967 178.582 176.600 0.025 0.000 1.047 383 K CA 1.379 57.678 56.287 0.019 0.000 0.942 383 K CB -0.377 32.133 32.500 0.018 0.000 0.739 383 K HN 0.809 nan 8.250 nan 0.000 0.457 384 A N 0.793 123.628 122.820 0.025 0.000 1.930 384 A HA -0.065 4.255 4.320 0.000 0.000 0.215 384 A C 2.018 179.626 177.584 0.041 0.000 1.176 384 A CA 0.725 52.780 52.037 0.030 0.000 0.632 384 A CB -0.195 18.820 19.000 0.024 0.000 0.819 384 A HN 0.163 nan 8.150 nan 0.000 0.445 385 L N -0.421 120.824 121.223 0.038 0.000 2.418 385 L HA 0.132 4.472 4.340 0.000 0.000 0.218 385 L C 1.997 178.892 176.870 0.042 0.000 1.125 385 L CA 1.516 56.382 54.840 0.044 0.000 0.835 385 L CB -0.477 41.606 42.059 0.039 0.000 0.953 385 L HN 0.426 nan 8.230 nan 0.000 0.454 386 K N -1.033 119.388 120.400 0.035 0.000 2.103 386 K HA -0.159 4.161 4.320 0.000 0.000 0.204 386 K C 1.885 178.508 176.600 0.039 0.000 1.052 386 K CA 1.239 57.546 56.287 0.033 0.000 0.945 386 K CB 0.169 32.685 32.500 0.027 0.000 0.722 386 K HN 0.417 nan 8.250 nan 0.000 0.443 387 Q N 0.080 119.908 119.800 0.047 0.000 2.096 387 Q HA -0.099 4.241 4.340 0.000 0.000 0.197 387 Q C 2.082 178.126 176.000 0.074 0.000 0.964 387 Q CA 1.588 57.425 55.803 0.057 0.000 0.838 387 Q CB 0.154 28.928 28.738 0.061 0.000 0.906 387 Q HN 0.316 nan 8.270 nan 0.000 0.444 388 V N -2.362 117.609 119.914 0.096 0.000 2.667 388 V HA 0.026 4.146 4.120 0.000 0.000 0.252 388 V C 1.999 178.122 176.094 0.048 0.000 1.065 388 V CA 1.410 63.781 62.300 0.118 0.000 1.083 388 V CB -0.925 31.008 31.823 0.184 0.000 0.692 388 V HN 0.245 nan 8.190 nan 0.000 0.468 389 A N 0.509 123.355 122.820 0.042 0.000 2.121 389 A HA 0.270 4.590 4.320 0.000 0.000 0.218 389 A C 2.441 180.032 177.584 0.011 0.000 1.154 389 A CA 1.785 53.838 52.037 0.027 0.000 0.679 389 A CB -1.275 17.747 19.000 0.036 0.000 0.795 389 A HN 1.294 nan 8.150 nan 0.000 0.458 390 G N -0.530 108.274 108.800 0.007 0.000 3.282 390 G HA2 -0.384 3.576 3.960 0.000 0.000 0.367 390 G HA3 -0.384 3.576 3.960 0.000 0.000 0.367 390 G C 0.652 175.558 174.900 0.010 0.000 1.377 390 G CA 1.229 46.327 45.100 -0.005 0.000 1.254 390 G HN 1.265 nan 8.290 nan 0.000 0.717 391 S N -0.508 115.200 115.700 0.013 0.000 2.539 391 S HA 0.393 4.863 4.470 0.000 0.000 0.185 391 S C 0.673 175.328 174.600 0.091 0.000 1.181 391 S CA 0.174 58.404 58.200 0.050 0.000 1.216 391 S CB 1.130 64.365 63.200 0.058 0.000 1.476 391 S HN 0.644 nan 8.310 nan 0.000 0.395 392 L N 2.061 123.328 121.223 0.075 0.000 2.240 392 L HA 0.272 4.612 4.340 0.000 0.000 0.211 392 L C 2.100 179.046 176.870 0.127 0.000 1.106 392 L CA 1.772 56.676 54.840 0.108 0.000 0.793 392 L CB -0.127 41.971 42.059 0.065 0.000 0.927 392 L HN 0.335 nan 8.230 nan 0.000 0.446 393 K N -1.009 119.447 120.400 0.093 0.000 2.116 393 K HA -0.085 4.235 4.320 0.000 0.000 0.203 393 K C 1.923 178.572 176.600 0.082 0.000 1.052 393 K CA 0.812 57.147 56.287 0.079 0.000 0.952 393 K CB -0.009 32.527 32.500 0.061 0.000 0.729 393 K HN 0.296 nan 8.250 nan 0.000 0.446 394 L N 0.609 121.889 121.223 0.095 0.000 2.270 394 L HA -0.057 4.283 4.340 0.000 0.000 0.210 394 L C 1.834 178.776 176.870 0.120 0.000 1.104 394 L CA 1.152 56.045 54.840 0.089 0.000 0.804 394 L CB -0.427 41.680 42.059 0.080 0.000 0.937 394 L HN 0.149 nan 8.230 nan 0.000 0.450 395 F N 0.731 120.693 119.950 0.019 0.000 2.163 395 F HA -0.142 4.385 4.527 0.000 0.000 0.297 395 F C 2.162 177.992 175.800 0.050 0.000 1.094 395 F CA 1.402 59.414 58.000 0.020 0.000 1.290 395 F CB -0.144 38.851 39.000 -0.008 0.000 1.017 395 F HN -0.038 nan 8.300 nan 0.000 0.483 396 L N -0.281 120.963 121.223 0.035 0.000 2.376 396 L HA -0.054 4.286 4.340 0.000 0.000 0.219 396 L C 2.594 179.481 176.870 0.029 0.000 1.133 396 L CA 0.753 55.598 54.840 0.007 0.000 0.816 396 L CB -0.866 41.242 42.059 0.083 0.000 0.933 396 L HN 0.230 nan 8.230 nan 0.000 0.449 397 A N -0.450 122.375 122.820 0.008 0.000 1.898 397 A HA -0.200 4.120 4.320 0.000 0.000 0.216 397 A C 2.165 179.726 177.584 -0.038 0.000 1.181 397 A CA 1.199 53.234 52.037 -0.003 0.000 0.620 397 A CB -0.277 18.729 19.000 0.009 0.000 0.819 397 A HN 0.444 nan 8.150 nan 0.000 0.442 398 Q N -2.306 117.448 119.800 -0.077 0.000 2.472 398 Q HA -0.044 4.297 4.340 0.000 0.000 0.208 398 Q C 1.432 177.353 176.000 -0.131 0.000 0.958 398 Q CA 0.654 56.395 55.803 -0.103 0.000 0.932 398 Q CB -0.082 28.596 28.738 -0.100 0.000 1.007 398 Q HN 0.843 nan 8.270 nan 0.000 0.508 399 Y N 0.554 120.672 120.300 -0.304 0.000 2.519 399 Y HA 0.025 4.575 4.550 0.000 0.000 0.287 399 Y C 1.641 177.458 175.900 -0.138 0.000 1.128 399 Y CA 0.728 58.667 58.100 -0.268 0.000 1.282 399 Y CB 0.225 38.492 38.460 -0.322 0.000 1.027 399 Y HN -0.118 nan 8.280 nan 0.000 0.551 400 R N -0.091 120.307 120.500 -0.171 0.000 2.075 400 R HA -0.112 4.228 4.340 0.000 0.000 0.226 400 R C 2.103 178.312 176.300 -0.151 0.000 1.114 400 R CA 1.322 57.309 56.100 -0.188 0.000 0.972 400 R CB -0.202 30.039 30.300 -0.098 0.000 0.869 400 R HN 0.285 nan 8.270 nan 0.000 0.437 401 E N 0.642 120.780 120.200 -0.104 0.000 2.058 401 E HA -0.170 4.180 4.350 0.000 0.000 0.194 401 E C 1.661 178.223 176.600 -0.064 0.000 0.997 401 E CA 1.544 57.902 56.400 -0.070 0.000 0.801 401 E CB -0.018 29.648 29.700 -0.056 0.000 0.746 401 E HN 0.055 nan 8.360 nan 0.000 0.450 402 V N 0.552 120.412 119.914 -0.090 0.000 2.591 402 V HA -0.064 4.056 4.120 0.000 0.000 0.249 402 V C 2.237 178.283 176.094 -0.079 0.000 1.053 402 V CA 1.363 63.631 62.300 -0.052 0.000 1.068 402 V CB -0.502 31.303 31.823 -0.030 0.000 0.689 402 V HN 0.468 nan 8.190 nan 0.000 0.462 403 A N 0.024 122.714 122.820 -0.217 0.000 2.121 403 A HA 0.059 4.379 4.320 0.000 0.000 0.218 403 A C 2.292 179.805 177.584 -0.118 0.000 1.154 403 A CA 1.507 53.403 52.037 -0.236 0.000 0.679 403 A CB -0.390 18.374 19.000 -0.394 0.000 0.795 403 A HN 0.531 nan 8.150 nan 0.000 0.458 404 A N -1.528 121.255 122.820 -0.062 0.000 2.016 404 A HA 0.168 4.488 4.320 0.000 0.000 0.217 404 A C 1.832 179.444 177.584 0.048 0.000 1.162 404 A CA 1.257 53.285 52.037 -0.016 0.000 0.662 404 A CB -0.449 18.547 19.000 -0.006 0.000 0.812 404 A HN 0.663 nan 8.150 nan 0.000 0.450 405 F N 0.653 120.563 119.950 -0.067 0.000 2.317 405 F HA 0.432 4.959 4.527 0.000 0.000 0.290 405 F C 1.565 177.340 175.800 -0.042 0.000 1.075 405 F CA 0.371 58.342 58.000 -0.048 0.000 1.380 405 F CB -0.262 38.714 39.000 -0.040 0.000 1.093 405 F HN 0.110 nan 8.300 nan 0.000 0.524 406 A N 2.983 125.658 122.820 -0.242 0.000 2.993 406 A HA 0.257 4.577 4.320 0.000 0.000 0.281 406 A C -0.231 177.192 177.584 -0.269 0.000 1.847 406 A CA -0.107 51.739 52.037 -0.319 0.000 1.470 406 A CB -1.040 17.896 19.000 -0.107 0.000 1.028 406 A HN 0.460 nan 8.150 nan 0.000 0.604 412 L N -0.085 121.201 121.223 0.106 0.000 2.777 412 L HA 0.662 5.002 4.340 0.000 0.000 0.241 412 L C 0.162 177.086 176.870 0.090 0.000 1.854 412 L CA -1.047 53.888 54.840 0.158 0.000 2.070 412 L CB 0.446 42.596 42.059 0.152 0.000 2.441 412 L HN 0.676 nan 8.230 nan 0.000 0.587 413 D N -0.779 119.657 120.400 0.060 0.000 2.621 413 D HA 0.317 4.957 4.640 0.000 0.000 0.255 413 D C 0.587 176.901 176.300 0.024 0.000 1.122 413 D CA -0.159 53.857 54.000 0.027 0.000 1.096 413 D CB 1.936 42.736 40.800 -0.001 0.000 1.282 413 D HN 0.436 nan 8.370 nan 0.000 0.619 414 A N 0.351 123.179 122.820 0.013 0.000 1.908 414 A HA -0.155 4.165 4.320 0.000 0.000 0.218 414 A C 2.190 179.783 177.584 0.016 0.000 1.181 414 A CA 2.137 54.181 52.037 0.012 0.000 0.627 414 A CB -0.705 18.298 19.000 0.005 0.000 0.818 414 A HN 0.491 nan 8.150 nan 0.000 0.445 415 S N -0.889 114.820 115.700 0.015 0.000 2.404 415 S HA -0.064 4.406 4.470 0.000 0.000 0.223 415 S C 2.112 176.735 174.600 0.037 0.000 1.040 415 S CA 1.381 59.594 58.200 0.023 0.000 0.957 415 S CB -0.387 62.822 63.200 0.014 0.000 0.826 415 S HN 0.837 nan 8.310 nan 0.000 0.491 416 T N 1.089 115.663 114.554 0.032 0.000 2.904 416 T HA 0.061 4.411 4.350 0.000 0.000 0.267 416 T C 1.637 176.377 174.700 0.067 0.000 1.059 416 T CA 0.848 62.977 62.100 0.047 0.000 1.137 416 T CB -0.170 68.722 68.868 0.041 0.000 0.879 416 T HN 0.235 nan 8.240 nan 0.000 0.467 417 K N 0.965 121.401 120.400 0.060 0.000 2.211 417 K HA -0.152 4.168 4.320 0.000 0.000 0.203 417 K C 2.501 179.135 176.600 0.056 0.000 1.050 417 K CA 1.346 57.668 56.287 0.059 0.000 0.945 417 K CB -0.060 32.468 32.500 0.046 0.000 0.732 417 K HN 0.432 nan 8.250 nan 0.000 0.451 418 Q N 0.453 120.284 119.800 0.052 0.000 2.096 418 Q HA -0.086 4.254 4.340 0.000 0.000 0.197 418 Q C 1.648 177.701 176.000 0.088 0.000 0.964 418 Q CA 2.423 58.256 55.803 0.051 0.000 0.838 418 Q CB -0.523 28.235 28.738 0.033 0.000 0.906 418 Q HN 0.299 nan 8.270 nan 0.000 0.444 419 T N -1.307 113.316 114.554 0.115 0.000 3.023 419 T HA -0.024 4.326 4.350 0.000 0.000 0.266 419 T C 1.683 176.479 174.700 0.160 0.000 1.093 419 T CA 0.766 62.976 62.100 0.183 0.000 1.129 419 T CB -0.285 68.671 68.868 0.147 0.000 0.899 419 T HN 0.240 nan 8.240 nan 0.000 0.491 420 L N 1.116 122.424 121.223 0.142 0.000 2.083 420 L HA 0.052 4.392 4.340 0.000 0.000 0.209 420 L C 2.546 179.509 176.870 0.155 0.000 1.083 420 L CA 1.270 56.224 54.840 0.190 0.000 0.752 420 L CB -0.469 41.668 42.059 0.131 0.000 0.899 420 L HN 0.130 nan 8.230 nan 0.000 0.433 421 V N -0.392 119.577 119.914 0.091 0.000 2.283 421 V HA -0.217 3.903 4.120 0.000 0.000 0.243 421 V C 2.701 178.802 176.094 0.012 0.000 1.039 421 V CA 1.922 64.248 62.300 0.042 0.000 1.016 421 V CB -0.627 31.209 31.823 0.022 0.000 0.650 421 V HN 0.450 nan 8.190 nan 0.000 0.449 422 R N 0.044 120.576 120.500 0.055 0.000 2.193 422 R HA -0.113 4.227 4.340 0.000 0.000 0.229 422 R C 2.156 178.504 176.300 0.080 0.000 1.110 422 R CA 1.334 57.466 56.100 0.054 0.000 0.988 422 R CB -0.448 29.892 30.300 0.065 0.000 0.871 422 R HN 0.584 nan 8.270 nan 0.000 0.458 423 G N -0.322 108.452 108.800 -0.044 0.000 2.430 423 G HA2 -0.198 3.762 3.960 0.000 0.000 0.216 423 G HA3 -0.198 3.762 3.960 0.000 0.000 0.216 423 G C 1.163 175.575 174.900 -0.813 0.000 1.146 423 G CA 0.055 44.770 45.100 -0.642 0.000 0.793 423 G HN 0.336 nan 8.290 nan 0.000 0.537 424 E N -0.377 119.604 120.200 -0.365 0.000 2.347 424 E HA 0.045 4.395 4.350 0.000 0.000 0.196 424 E C 2.578 179.117 176.600 -0.101 0.000 1.008 424 E CA 0.380 56.703 56.400 -0.127 0.000 0.852 424 E CB 0.138 29.855 29.700 0.029 0.000 0.783 424 E HN 0.307 nan 8.360 nan 0.000 0.505 425 R N -0.786 119.645 120.500 -0.116 0.000 2.123 425 R HA 0.171 4.511 4.340 0.000 0.000 0.209 425 R C 2.067 178.315 176.300 -0.087 0.000 1.078 425 R CA 0.187 56.231 56.100 -0.092 0.000 1.028 425 R CB 0.119 30.358 30.300 -0.103 0.000 0.939 425 R HN 0.099 nan 8.270 nan 0.000 0.463 426 L N 0.360 121.528 121.223 -0.091 0.000 2.265 426 L HA -0.133 4.207 4.340 0.000 0.000 0.215 426 L C 1.733 178.573 176.870 -0.050 0.000 1.117 426 L CA 1.125 55.932 54.840 -0.055 0.000 0.782 426 L CB -0.293 41.761 42.059 -0.007 0.000 0.914 426 L HN 0.269 nan 8.230 nan 0.000 0.441 427 T N -1.743 112.756 114.554 -0.091 0.000 2.809 427 T HA -0.203 4.147 4.350 0.000 0.000 0.260 427 T C 1.812 176.503 174.700 -0.015 0.000 1.039 427 T CA 0.960 63.034 62.100 -0.044 0.000 1.141 427 T CB -0.060 68.787 68.868 -0.036 0.000 0.869 427 T HN 0.143 nan 8.240 nan 0.000 0.437 428 Q N 0.690 120.477 119.800 -0.022 0.000 2.170 428 Q HA 0.021 4.361 4.340 0.000 0.000 0.203 428 Q C 2.047 178.049 176.000 0.004 0.000 0.976 428 Q CA 0.948 56.747 55.803 -0.007 0.000 0.858 428 Q CB -0.632 28.099 28.738 -0.011 0.000 0.907 428 Q HN 0.403 nan 8.270 nan 0.000 0.433 429 L N -0.572 120.650 121.223 -0.001 0.000 2.083 429 L HA -0.077 4.263 4.340 0.000 0.000 0.209 429 L C 1.345 178.235 176.870 0.032 0.000 1.083 429 L CA 1.502 56.356 54.840 0.024 0.000 0.752 429 L CB -0.064 42.004 42.059 0.014 0.000 0.899 429 L HN 0.293 nan 8.230 nan 0.000 0.433 430 L N -0.690 120.545 121.223 0.020 0.000 2.629 430 L HA 0.080 4.420 4.340 0.000 0.000 0.230 430 L C 0.577 177.453 176.870 0.011 0.000 1.151 430 L CA -0.138 54.715 54.840 0.022 0.000 0.924 430 L CB -0.487 41.587 42.059 0.024 0.000 1.137 430 L HN 0.073 nan 8.230 nan 0.000 0.457 431 K N 1.730 122.132 120.400 0.004 0.000 2.298 431 K HA 0.244 4.564 4.320 0.000 0.000 0.280 431 K C -0.192 176.403 176.600 -0.007 0.000 1.032 431 K CA 0.155 56.433 56.287 -0.014 0.000 0.958 431 K CB 1.025 33.514 32.500 -0.019 0.000 0.978 431 K HN 0.052 nan 8.250 nan 0.000 0.472 432 Q N 2.622 122.407 119.800 -0.025 0.000 2.309 432 Q HA 0.182 4.522 4.340 0.000 0.000 0.273 432 Q C -1.229 174.750 176.000 -0.035 0.000 1.040 432 Q CA -0.793 55.001 55.803 -0.016 0.000 0.834 432 Q CB 1.596 30.329 28.738 -0.007 0.000 1.345 432 Q HN 0.563 nan 8.270 nan 0.000 0.414 433 N N 2.323 121.012 118.700 -0.019 0.000 2.503 433 N HA 0.054 4.794 4.740 0.000 0.000 0.267 433 N C -0.500 174.978 175.510 -0.054 0.000 1.214 433 N CA -0.020 53.015 53.050 -0.024 0.000 0.959 433 N CB 0.930 39.426 38.487 0.015 0.000 1.142 433 N HN 0.581 nan 8.380 nan 0.000 0.455 434 Q N 0.329 120.060 119.800 -0.114 0.000 2.394 434 Q HA -0.025 4.315 4.340 0.000 0.000 0.248 434 Q C -0.375 175.495 176.000 -0.217 0.000 0.992 434 Q CA -0.064 55.541 55.803 -0.330 0.000 0.888 434 Q CB 0.239 28.613 28.738 -0.607 0.000 1.257 434 Q HN 0.570 nan 8.270 nan 0.000 0.462 435 Y N -0.316 119.983 120.300 -0.002 0.000 3.978 435 Y HA -0.273 4.277 4.550 0.000 0.000 0.219 435 Y C -0.017 175.918 175.900 0.058 0.000 1.153 435 Y CA 0.824 58.922 58.100 -0.004 0.000 1.718 435 Y CB -2.333 36.139 38.460 0.020 0.000 1.541 435 Y HN 0.360 nan 8.280 nan 0.000 0.640 436 S N 0.048 115.815 115.700 0.111 0.000 2.422 436 S HA 0.267 4.737 4.470 0.000 0.000 0.226 436 S C -2.357 172.272 174.600 0.048 0.000 1.242 436 S CA -0.902 57.351 58.200 0.088 0.000 1.231 436 S CB 0.736 63.976 63.200 0.068 0.000 1.067 436 S HN 0.138 nan 8.310 nan 0.000 0.462 437 P HA 0.261 nan 4.420 nan 0.000 0.276 437 P C -0.466 176.844 177.300 0.017 0.000 1.230 437 P CA -0.287 62.832 63.100 0.031 0.000 0.776 437 P CB 0.792 32.514 31.700 0.037 0.000 0.888 438 L N 1.813 123.045 121.223 0.015 0.000 2.375 438 L HA 0.656 4.996 4.340 0.000 0.000 0.268 438 L C 1.050 177.917 176.870 -0.004 0.000 1.058 438 L CA -1.163 53.677 54.840 0.001 0.000 0.803 438 L CB 0.789 42.853 42.059 0.009 0.000 1.212 438 L HN 0.357 nan 8.230 nan 0.000 0.451 439 A N 0.490 123.294 122.820 -0.027 0.000 2.272 439 A HA 0.368 4.688 4.320 0.000 0.000 0.275 439 A C 1.167 178.756 177.584 0.009 0.000 1.096 439 A CA -0.165 51.854 52.037 -0.029 0.000 0.822 439 A CB 0.357 19.313 19.000 -0.074 0.000 1.088 439 A HN 0.866 nan 8.150 nan 0.000 0.495 440 T N 0.741 115.320 114.554 0.041 0.000 2.665 440 T HA -0.167 4.183 4.350 0.000 0.000 0.268 440 T C 1.336 176.045 174.700 0.015 0.000 1.035 440 T CA 2.346 64.475 62.100 0.048 0.000 1.151 440 T CB -0.407 68.507 68.868 0.076 0.000 0.862 440 T HN 0.791 nan 8.240 nan 0.000 0.438 441 E N 1.269 121.464 120.200 -0.008 0.000 2.338 441 E HA -0.054 4.296 4.350 0.000 0.000 0.197 441 E C 2.012 178.576 176.600 -0.059 0.000 1.007 441 E CA 0.753 57.131 56.400 -0.037 0.000 0.849 441 E CB -0.222 29.447 29.700 -0.052 0.000 0.774 441 E HN 0.610 nan 8.360 nan 0.000 0.506 442 E N 0.248 120.420 120.200 -0.047 0.000 2.276 442 E HA -0.024 4.326 4.350 0.000 0.000 0.193 442 E C 1.855 178.447 176.600 -0.013 0.000 0.983 442 E CA 0.298 56.665 56.400 -0.055 0.000 0.861 442 E CB 0.135 29.806 29.700 -0.049 0.000 0.817 442 E HN 0.301 nan 8.360 nan 0.000 0.485 443 Q N 0.368 120.175 119.800 0.012 0.000 2.008 443 Q HA -0.073 4.267 4.340 0.000 0.000 0.196 443 Q C 2.380 178.416 176.000 0.059 0.000 0.973 443 Q CA 0.951 56.779 55.803 0.042 0.000 0.826 443 Q CB 0.001 28.765 28.738 0.044 0.000 0.894 443 Q HN 0.066 nan 8.270 nan 0.000 0.439 444 V N 1.900 121.841 119.914 0.045 0.000 2.277 444 V HA -0.254 3.866 4.120 0.000 0.000 0.253 444 V C -0.921 175.230 176.094 0.094 0.000 1.067 444 V CA 2.317 64.653 62.300 0.060 0.000 1.047 444 V CB -1.376 30.465 31.823 0.028 0.000 0.649 444 V HN 0.339 nan 8.190 nan 0.000 0.447 445 P HA 0.011 nan 4.420 nan 0.000 0.227 445 P C 1.813 179.297 177.300 0.307 0.000 1.161 445 P CA 0.913 64.082 63.100 0.116 0.000 0.788 445 P CB 0.042 31.701 31.700 -0.068 0.000 0.822 446 L N -0.850 120.519 121.223 0.243 0.000 2.056 446 L HA -0.107 4.233 4.340 0.000 0.000 0.207 446 L C 2.139 179.140 176.870 0.219 0.000 1.078 446 L CA 1.125 56.143 54.840 0.297 0.000 0.749 446 L CB -0.757 41.430 42.059 0.212 0.000 0.901 446 L HN -0.090 nan 8.230 nan 0.000 0.433 447 I N -1.098 119.571 120.570 0.165 0.000 2.361 447 I HA -0.312 3.858 4.170 0.000 0.000 0.251 447 I C 2.430 178.620 176.117 0.122 0.000 1.133 447 I CA 1.571 62.939 61.300 0.114 0.000 1.413 447 I CB -1.258 36.797 38.000 0.092 0.000 1.073 447 I HN 0.258 nan 8.210 nan 0.000 0.424 448 Y N 2.163 122.504 120.300 0.068 0.000 2.145 448 Y HA -0.214 4.336 4.550 0.000 0.000 0.286 448 Y C 2.700 178.643 175.900 0.072 0.000 1.145 448 Y CA 2.070 60.206 58.100 0.061 0.000 1.148 448 Y CB -0.199 38.298 38.460 0.061 0.000 0.981 448 Y HN 0.117 nan 8.280 nan 0.000 0.507 449 A N -0.122 122.847 122.820 0.248 0.000 1.940 449 A HA -0.151 4.169 4.320 0.000 0.000 0.219 449 A C 2.403 180.006 177.584 0.031 0.000 1.176 449 A CA 1.919 54.029 52.037 0.122 0.000 0.631 449 A CB -1.637 17.400 19.000 0.062 0.000 0.814 449 A HN 0.603 nan 8.150 nan 0.000 0.446 450 G N -0.873 107.916 108.800 -0.018 0.000 2.425 450 G HA2 -0.006 3.954 3.960 0.000 0.000 0.213 450 G HA3 -0.006 3.954 3.960 0.000 0.000 0.213 450 G C 1.506 176.320 174.900 -0.143 0.000 1.201 450 G CA 1.024 46.071 45.100 -0.087 0.000 0.799 450 G HN 0.282 nan 8.290 nan 0.000 0.534 451 V N 1.781 121.600 119.914 -0.157 0.000 2.332 451 V HA -0.197 3.923 4.120 0.000 0.000 0.248 451 V C 2.511 178.426 176.094 -0.297 0.000 1.055 451 V CA 1.864 64.015 62.300 -0.249 0.000 1.038 451 V CB -0.413 31.289 31.823 -0.201 0.000 0.651 451 V HN 0.347 nan 8.190 nan 0.000 0.450 452 N N -0.131 118.395 118.700 -0.290 0.000 2.457 452 N HA 0.020 4.760 4.740 0.000 0.000 0.180 452 N C 1.404 176.741 175.510 -0.288 0.000 1.050 452 N CA 1.186 54.058 53.050 -0.297 0.000 0.906 452 N CB 0.691 38.941 38.487 -0.394 0.000 0.968 452 N HN 0.627 nan 8.380 nan 0.000 0.445 453 G N 0.442 109.100 108.800 -0.236 0.000 2.181 453 G HA2 -0.179 3.781 3.960 0.000 0.000 0.152 453 G HA3 -0.179 3.781 3.960 0.000 0.000 0.152 453 G C 0.075 174.786 174.900 -0.316 0.000 1.026 453 G CA -0.198 44.742 45.100 -0.266 0.000 0.699 453 G HN 0.434 nan 8.290 nan 0.000 0.497 454 H N -0.595 118.382 119.070 -0.155 0.000 2.544 454 H HA 0.384 4.940 4.556 0.000 0.000 0.269 454 H C 2.489 177.690 175.328 -0.212 0.000 0.970 454 H CA 0.852 56.819 56.048 -0.136 0.000 1.219 454 H CB 0.289 30.000 29.762 -0.085 0.000 1.421 454 H HN 0.426 nan 8.280 nan 0.000 0.555 455 L N 0.172 121.289 121.223 -0.176 0.000 2.567 455 L HA 0.007 4.347 4.340 0.000 0.000 0.225 455 L C 0.942 177.696 176.870 -0.194 0.000 1.119 455 L CA 0.120 54.782 54.840 -0.296 0.000 0.871 455 L CB 0.270 42.107 42.059 -0.369 0.000 1.036 455 L HN 0.148 nan 8.230 nan 0.000 0.459 456 D N 0.617 120.927 120.400 -0.150 0.000 2.351 456 D HA -0.104 4.536 4.640 0.000 0.000 0.216 456 D C 1.791 178.037 176.300 -0.090 0.000 0.968 456 D CA 1.064 54.996 54.000 -0.112 0.000 0.899 456 D CB 0.059 40.792 40.800 -0.111 0.000 0.907 456 D HN 0.317 nan 8.370 nan 0.000 0.514 457 G N -0.417 108.326 108.800 -0.095 0.000 3.575 457 G HA2 0.321 4.281 3.960 0.000 0.000 0.273 457 G HA3 0.321 4.281 3.960 0.000 0.000 0.273 457 G C 0.281 175.140 174.900 -0.068 0.000 1.053 457 G CA -0.266 44.792 45.100 -0.071 0.000 0.803 457 G HN 0.120 nan 8.290 nan 0.000 0.528 458 I N 0.585 121.101 120.570 -0.090 0.000 2.433 458 I HA 0.266 4.436 4.170 0.000 0.000 0.292 458 I C 0.242 176.324 176.117 -0.059 0.000 1.001 458 I CA -0.852 60.401 61.300 -0.079 0.000 1.119 458 I CB 2.317 40.239 38.000 -0.130 0.000 1.289 458 I HN 0.022 nan 8.210 nan 0.000 0.438 459 E N 3.232 123.414 120.200 -0.030 0.000 2.459 459 E HA -0.094 4.256 4.350 0.000 0.000 0.264 459 E C 0.531 177.122 176.600 -0.015 0.000 1.055 459 E CA -0.083 56.307 56.400 -0.016 0.000 0.957 459 E CB 0.871 30.569 29.700 -0.003 0.000 0.952 459 E HN 0.481 nan 8.360 nan 0.000 0.448 460 L N 3.178 124.396 121.223 -0.008 0.000 2.044 460 L HA -0.133 4.207 4.340 0.000 0.000 0.205 460 L C 2.056 178.930 176.870 0.007 0.000 1.075 460 L CA 2.120 56.956 54.840 -0.006 0.000 0.747 460 L CB -0.454 41.605 42.059 0.001 0.000 0.903 460 L HN 0.645 nan 8.230 nan 0.000 0.435 461 S N -1.459 114.249 115.700 0.013 0.000 2.803 461 S HA 0.014 4.484 4.470 0.000 0.000 0.226 461 S C 1.665 176.285 174.600 0.033 0.000 0.962 461 S CA 0.138 58.351 58.200 0.022 0.000 0.968 461 S CB -0.487 62.724 63.200 0.020 0.000 0.786 461 S HN 0.450 nan 8.310 nan 0.000 0.527 462 R N -0.310 120.213 120.500 0.038 0.000 2.394 462 R HA 0.354 4.694 4.340 0.000 0.000 0.220 462 R C 1.205 177.568 176.300 0.105 0.000 0.887 462 R CA -0.076 56.064 56.100 0.066 0.000 1.034 462 R CB 0.078 30.415 30.300 0.061 0.000 1.179 462 R HN 0.358 nan 8.270 nan 0.000 0.561 463 I N 0.499 121.110 120.570 0.069 0.000 2.423 463 I HA -0.143 4.027 4.170 0.000 0.000 0.254 463 I C 2.182 178.391 176.117 0.153 0.000 1.151 463 I CA 1.554 62.904 61.300 0.083 0.000 1.421 463 I CB -1.373 36.626 38.000 -0.001 0.000 1.079 463 I HN 0.203 nan 8.210 nan 0.000 0.431 464 G N 1.436 110.302 108.800 0.111 0.000 2.422 464 G HA2 -0.230 3.730 3.960 0.000 0.000 0.218 464 G HA3 -0.230 3.730 3.960 0.000 0.000 0.218 464 G C 1.470 176.445 174.900 0.125 0.000 1.140 464 G CA 0.755 45.917 45.100 0.103 0.000 0.775 464 G HN 0.656 nan 8.290 nan 0.000 0.545 465 E N -0.904 119.379 120.200 0.139 0.000 2.385 465 E HA 0.098 4.448 4.350 0.000 0.000 0.194 465 E C 1.892 178.609 176.600 0.195 0.000 1.013 465 E CA -0.272 56.211 56.400 0.137 0.000 0.866 465 E CB -0.337 29.429 29.700 0.109 0.000 0.832 465 E HN 0.339 nan 8.360 nan 0.000 0.500 466 F N 2.445 122.461 119.950 0.110 0.000 2.146 466 F HA -0.080 4.447 4.527 0.000 0.000 0.298 466 F C 2.181 178.080 175.800 0.166 0.000 1.096 466 F CA 1.901 59.999 58.000 0.164 0.000 1.275 466 F CB -0.030 39.038 39.000 0.113 0.000 1.008 466 F HN 0.063 nan 8.300 nan 0.000 0.480 467 E N 0.262 120.654 120.200 0.320 0.000 2.021 467 E HA -0.291 4.059 4.350 0.000 0.000 0.200 467 E C 2.201 178.836 176.600 0.059 0.000 1.015 467 E CA 2.378 58.905 56.400 0.211 0.000 0.824 467 E CB -0.423 29.382 29.700 0.176 0.000 0.762 467 E HN 0.472 nan 8.360 nan 0.000 0.454 468 S N -0.572 115.160 115.700 0.053 0.000 2.474 468 S HA -0.025 4.445 4.470 0.000 0.000 0.235 468 S C 2.019 176.616 174.600 -0.005 0.000 0.997 468 S CA 1.110 59.320 58.200 0.017 0.000 0.949 468 S CB 0.156 63.376 63.200 0.034 0.000 0.766 468 S HN 0.140 nan 8.310 nan 0.000 0.517 469 S N 0.753 116.452 115.700 -0.001 0.000 2.441 469 S HA 0.254 4.724 4.470 0.000 0.000 0.224 469 S C 1.218 175.736 174.600 -0.136 0.000 1.043 469 S CA 0.181 58.403 58.200 0.036 0.000 0.948 469 S CB -0.453 62.852 63.200 0.174 0.000 0.810 469 S HN 0.533 nan 8.310 nan 0.000 0.504 470 F N 2.918 122.445 119.950 -0.706 0.000 2.146 470 F HA 0.081 4.608 4.527 0.000 0.000 0.298 470 F C 1.699 177.172 175.800 -0.544 0.000 1.096 470 F CA 0.871 58.142 58.000 -1.215 0.000 1.275 470 F CB -0.627 37.557 39.000 -1.361 0.000 1.008 470 F HN 0.090 nan 8.300 nan 0.000 0.480 471 L N -0.958 120.047 121.223 -0.363 0.000 2.046 471 L HA -0.228 4.112 4.340 0.000 0.000 0.208 471 L C 2.525 179.260 176.870 -0.225 0.000 1.077 471 L CA 1.454 56.106 54.840 -0.314 0.000 0.747 471 L CB -0.933 41.027 42.059 -0.165 0.000 0.896 471 L HN 0.056 nan 8.230 nan 0.000 0.432 472 S N -1.041 114.580 115.700 -0.131 0.000 2.368 472 S HA -0.235 4.235 4.470 0.000 0.000 0.225 472 S C 1.846 176.425 174.600 -0.035 0.000 1.030 472 S CA 1.259 59.424 58.200 -0.058 0.000 0.999 472 S CB -0.384 62.819 63.200 0.006 0.000 0.844 472 S HN 0.428 nan 8.310 nan 0.000 0.459 473 Y N 2.082 122.289 120.300 -0.154 0.000 2.181 473 Y HA -0.054 4.496 4.550 0.000 0.000 0.288 473 Y C 1.809 177.639 175.900 -0.116 0.000 1.146 473 Y CA 1.274 59.327 58.100 -0.079 0.000 1.164 473 Y CB -0.351 38.083 38.460 -0.044 0.000 0.982 473 Y HN 0.139 nan 8.280 nan 0.000 0.515 474 L N -0.004 121.041 121.223 -0.297 0.000 2.109 474 L HA -0.174 4.166 4.340 0.000 0.000 0.207 474 L C 2.384 179.107 176.870 -0.245 0.000 1.086 474 L CA 1.451 56.082 54.840 -0.348 0.000 0.760 474 L CB -0.463 41.291 42.059 -0.509 0.000 0.910 474 L HN 0.057 nan 8.230 nan 0.000 0.437 475 K N -0.739 119.536 120.400 -0.210 0.000 2.280 475 K HA -0.083 4.237 4.320 0.000 0.000 0.202 475 K C 2.038 178.552 176.600 -0.143 0.000 1.047 475 K CA 0.931 57.126 56.287 -0.154 0.000 0.942 475 K CB 0.086 32.512 32.500 -0.123 0.000 0.739 475 K HN 0.192 nan 8.250 nan 0.000 0.457 476 S N 0.804 116.405 115.700 -0.164 0.000 2.291 476 S HA -0.007 4.463 4.470 0.000 0.000 0.185 476 S C 1.365 175.826 174.600 -0.231 0.000 0.996 476 S CA 0.632 58.734 58.200 -0.162 0.000 0.997 476 S CB -0.237 62.892 63.200 -0.119 0.000 0.899 476 S HN 0.257 nan 8.310 nan 0.000 0.493 477 N N 0.943 119.429 118.700 -0.355 0.000 2.381 477 N HA -0.022 4.718 4.740 0.000 0.000 0.182 477 N C 0.196 175.340 175.510 -0.610 0.000 1.025 477 N CA 0.867 53.639 53.050 -0.462 0.000 0.888 477 N CB -0.007 38.143 38.487 -0.561 0.000 0.965 477 N HN 0.449 nan 8.380 nan 0.000 0.438 478 H N -0.916 117.947 119.070 -0.345 0.000 2.551 478 H HA 0.194 4.750 4.556 0.000 0.000 0.238 478 H C 0.185 175.393 175.328 -0.201 0.000 1.345 478 H CA -0.193 55.708 56.048 -0.245 0.000 1.105 478 H CB -0.068 29.546 29.762 -0.247 0.000 1.805 478 H HN 0.321 nan 8.280 nan 0.000 0.553 479 N N 0.918 119.545 118.700 -0.123 0.000 2.459 479 N HA -0.097 4.643 4.740 0.000 0.000 0.181 479 N C 1.264 176.725 175.510 -0.082 0.000 1.046 479 N CA 0.307 53.294 53.050 -0.105 0.000 0.904 479 N CB 0.468 38.890 38.487 -0.108 0.000 0.964 479 N HN 0.483 nan 8.380 nan 0.000 0.444 480 E N 0.358 120.512 120.200 -0.076 0.000 2.110 480 E HA -0.154 4.196 4.350 0.000 0.000 0.193 480 E C 1.808 178.381 176.600 -0.045 0.000 0.988 480 E CA 0.616 56.982 56.400 -0.057 0.000 0.804 480 E CB 0.178 29.846 29.700 -0.054 0.000 0.745 480 E HN 0.350 nan 8.360 nan 0.000 0.458 481 L N 0.366 121.564 121.223 -0.041 0.000 2.044 481 L HA -0.122 4.218 4.340 0.000 0.000 0.205 481 L C 2.400 179.231 176.870 -0.065 0.000 1.075 481 L CA 1.295 56.105 54.840 -0.049 0.000 0.747 481 L CB -0.998 41.028 42.059 -0.055 0.000 0.903 481 L HN 0.227 nan 8.230 nan 0.000 0.435 482 L N -1.164 120.012 121.223 -0.079 0.000 2.275 482 L HA -0.133 4.207 4.340 0.000 0.000 0.215 482 L C 2.406 179.240 176.870 -0.060 0.000 1.119 482 L CA 0.825 55.616 54.840 -0.081 0.000 0.790 482 L CB -1.071 40.927 42.059 -0.102 0.000 0.919 482 L HN 0.228 nan 8.230 nan 0.000 0.443 483 T N -0.771 113.750 114.554 -0.055 0.000 2.777 483 T HA -0.124 4.226 4.350 0.000 0.000 0.266 483 T C 1.818 176.500 174.700 -0.031 0.000 1.040 483 T CA 1.026 63.100 62.100 -0.043 0.000 1.141 483 T CB -0.050 68.792 68.868 -0.043 0.000 0.868 483 T HN 0.314 nan 8.240 nan 0.000 0.444 484 E N 0.924 121.105 120.200 -0.032 0.000 2.017 484 E HA -0.078 4.272 4.350 0.000 0.000 0.193 484 E C 2.310 178.899 176.600 -0.018 0.000 0.997 484 E CA 1.025 57.410 56.400 -0.024 0.000 0.804 484 E CB -0.389 29.295 29.700 -0.028 0.000 0.757 484 E HN 0.498 nan 8.360 nan 0.000 0.448 485 I N 0.712 121.267 120.570 -0.025 0.000 2.194 485 I HA -0.311 3.859 4.170 0.000 0.000 0.246 485 I C 2.845 178.963 176.117 0.002 0.000 1.093 485 I CA 1.276 62.567 61.300 -0.015 0.000 1.355 485 I CB -0.323 37.661 38.000 -0.027 0.000 1.046 485 I HN 0.039 nan 8.210 nan 0.000 0.413 486 R N 0.949 121.447 120.500 -0.002 0.000 2.066 486 R HA -0.162 4.178 4.340 0.000 0.000 0.232 486 R C 2.064 178.382 176.300 0.029 0.000 1.131 486 R CA 1.659 57.768 56.100 0.016 0.000 0.955 486 R CB 0.003 30.300 30.300 -0.005 0.000 0.851 486 R HN 0.336 nan 8.270 nan 0.000 0.432 487 E N -0.631 119.577 120.200 0.013 0.000 2.318 487 E HA -0.032 4.318 4.350 0.000 0.000 0.193 487 E C 1.691 178.300 176.600 0.015 0.000 0.998 487 E CA 0.443 56.853 56.400 0.016 0.000 0.859 487 E CB 0.448 30.151 29.700 0.005 0.000 0.812 487 E HN 0.110 nan 8.360 nan 0.000 0.492 488 K N -0.661 119.745 120.400 0.010 0.000 2.056 488 K HA 0.083 4.403 4.320 0.000 0.000 0.205 488 K C 1.300 177.908 176.600 0.015 0.000 1.035 488 K CA 1.069 57.361 56.287 0.010 0.000 0.955 488 K CB -0.103 32.399 32.500 0.003 0.000 0.769 488 K HN 0.208 nan 8.250 nan 0.000 0.447 489 G N 2.475 111.285 108.800 0.017 0.000 2.198 489 G HA2 -0.265 3.695 3.960 0.000 0.000 0.257 489 G HA3 -0.265 3.695 3.960 0.000 0.000 0.257 489 G C -0.203 174.707 174.900 0.016 0.000 1.042 489 G CA 0.837 45.949 45.100 0.020 0.000 0.791 489 G HN 0.363 nan 8.290 nan 0.000 0.502 490 E N -1.388 118.820 120.200 0.012 0.000 2.380 490 E HA 0.563 4.913 4.350 0.000 0.000 0.281 490 E C -1.157 175.448 176.600 0.008 0.000 0.999 490 E CA -0.928 55.479 56.400 0.012 0.000 0.800 490 E CB 1.273 30.980 29.700 0.012 0.000 1.228 490 E HN 0.240 nan 8.360 nan 0.000 0.436 491 L N 2.848 124.078 121.223 0.011 0.000 2.372 491 L HA 0.417 4.757 4.340 0.000 0.000 0.274 491 L C 0.085 176.962 176.870 0.011 0.000 0.988 491 L CA -0.577 54.266 54.840 0.005 0.000 0.833 491 L CB 1.706 43.767 42.059 0.005 0.000 1.236 491 L HN 0.548 nan 8.230 nan 0.000 0.410 492 S N 1.438 117.142 115.700 0.005 0.000 2.671 492 S HA 0.400 4.870 4.470 0.000 0.000 0.272 492 S C 1.011 175.618 174.600 0.012 0.000 1.174 492 S CA -0.664 57.542 58.200 0.010 0.000 1.004 492 S CB 1.384 64.588 63.200 0.007 0.000 1.077 492 S HN 0.510 nan 8.310 nan 0.000 0.553 493 K N 0.955 121.364 120.400 0.016 0.000 2.044 493 K HA -0.111 4.209 4.320 0.000 0.000 0.210 493 K C 2.061 178.671 176.600 0.016 0.000 1.049 493 K CA 2.120 58.420 56.287 0.021 0.000 0.927 493 K CB -0.531 31.981 32.500 0.021 0.000 0.713 493 K HN 0.726 nan 8.250 nan 0.000 0.443 494 E N 0.254 120.459 120.200 0.009 0.000 2.106 494 E HA -0.095 4.255 4.350 0.000 0.000 0.192 494 E C 1.879 178.475 176.600 -0.007 0.000 0.984 494 E CA 0.739 57.142 56.400 0.005 0.000 0.806 494 E CB -0.193 29.509 29.700 0.004 0.000 0.750 494 E HN 0.132 nan 8.360 nan 0.000 0.458 495 L N 0.216 121.430 121.223 -0.015 0.000 2.046 495 L HA -0.160 4.180 4.340 0.000 0.000 0.208 495 L C 2.210 179.035 176.870 -0.075 0.000 1.077 495 L CA 0.970 55.786 54.840 -0.039 0.000 0.747 495 L CB -0.251 41.787 42.059 -0.035 0.000 0.896 495 L HN 0.162 nan 8.230 nan 0.000 0.432 496 L N -0.930 120.263 121.223 -0.050 0.000 2.017 496 L HA -0.207 4.133 4.340 0.000 0.000 0.208 496 L C 2.839 179.678 176.870 -0.051 0.000 1.073 496 L CA 1.224 56.026 54.840 -0.063 0.000 0.745 496 L CB -0.750 41.340 42.059 0.052 0.000 0.894 496 L HN 0.244 nan 8.230 nan 0.000 0.432 497 A N -0.683 122.138 122.820 0.002 0.000 1.883 497 A HA -0.230 4.090 4.320 0.000 0.000 0.217 497 A C 2.480 180.065 177.584 0.001 0.000 1.186 497 A CA 2.299 54.350 52.037 0.023 0.000 0.624 497 A CB -0.737 18.281 19.000 0.030 0.000 0.822 497 A HN 0.388 nan 8.150 nan 0.000 0.444 498 S N -1.003 114.684 115.700 -0.021 0.000 2.423 498 S HA -0.069 4.401 4.470 0.000 0.000 0.231 498 S C 1.703 176.259 174.600 -0.072 0.000 1.014 498 S CA 1.297 59.487 58.200 -0.017 0.000 0.965 498 S CB -0.209 62.986 63.200 -0.007 0.000 0.785 498 S HN 0.426 nan 8.310 nan 0.000 0.495 499 L N 1.933 123.054 121.223 -0.169 0.000 2.307 499 L HA 0.201 4.541 4.340 0.000 0.000 0.211 499 L C 2.069 178.754 176.870 -0.307 0.000 1.099 499 L CA 1.320 55.973 54.840 -0.311 0.000 0.816 499 L CB -0.465 41.272 42.059 -0.537 0.000 0.952 499 L HN 0.139 nan 8.230 nan 0.000 0.455 500 K N -1.487 118.812 120.400 -0.169 0.000 2.097 500 K HA -0.146 4.174 4.320 0.000 0.000 0.205 500 K C 2.115 178.758 176.600 0.071 0.000 1.050 500 K CA 1.654 57.996 56.287 0.092 0.000 0.938 500 K CB -0.196 32.425 32.500 0.201 0.000 0.718 500 K HN 0.284 nan 8.250 nan 0.000 0.442 501 S N -0.315 115.409 115.700 0.039 0.000 2.414 501 S HA 0.057 4.527 4.470 0.000 0.000 0.227 501 S C 1.924 176.561 174.600 0.061 0.000 1.022 501 S CA 0.771 59.011 58.200 0.067 0.000 0.958 501 S CB -0.144 63.100 63.200 0.074 0.000 0.797 501 S HN 0.492 nan 8.310 nan 0.000 0.493 502 A N 0.587 123.400 122.820 -0.012 0.000 1.968 502 A HA 0.015 4.335 4.320 0.000 0.000 0.217 502 A C 2.251 179.916 177.584 0.135 0.000 1.169 502 A CA 1.935 53.921 52.037 -0.085 0.000 0.638 502 A CB -1.195 17.545 19.000 -0.433 0.000 0.812 502 A HN 0.576 nan 8.150 nan 0.000 0.446 503 T N -0.076 114.542 114.554 0.106 0.000 2.770 503 T HA -0.093 4.257 4.350 0.000 0.000 0.263 503 T C 1.736 176.461 174.700 0.042 0.000 1.039 503 T CA 1.480 63.610 62.100 0.050 0.000 1.142 503 T CB -0.238 68.504 68.868 -0.210 0.000 0.868 503 T HN 0.625 nan 8.240 nan 0.000 0.435 504 E N 1.016 121.252 120.200 0.060 0.000 2.118 504 E HA -0.112 4.238 4.350 0.000 0.000 0.195 504 E C 2.436 179.098 176.600 0.103 0.000 0.992 504 E CA 1.110 57.593 56.400 0.139 0.000 0.804 504 E CB -0.154 29.641 29.700 0.159 0.000 0.741 504 E HN 0.294 nan 8.360 nan 0.000 0.458 505 S N -0.408 115.359 115.700 0.112 0.000 2.383 505 S HA -0.135 4.335 4.470 0.000 0.000 0.227 505 S C 1.579 176.195 174.600 0.026 0.000 1.026 505 S CA 0.728 58.990 58.200 0.103 0.000 0.981 505 S CB -0.170 63.145 63.200 0.192 0.000 0.818 505 S HN 0.310 nan 8.310 nan 0.000 0.472 506 F N 1.558 121.413 119.950 -0.158 0.000 2.234 506 F HA 0.081 4.608 4.527 0.000 0.000 0.296 506 F C 2.011 177.714 175.800 -0.161 0.000 1.089 506 F CA 0.748 58.551 58.000 -0.329 0.000 1.343 506 F CB -0.392 38.378 39.000 -0.382 0.000 1.040 506 F HN -0.012 nan 8.300 nan 0.000 0.498 507 V N 0.770 120.687 119.914 0.005 0.000 2.453 507 V HA -0.316 3.804 4.120 0.000 0.000 0.252 507 V C 2.200 178.229 176.094 -0.108 0.000 1.068 507 V CA 1.613 63.912 62.300 -0.001 0.000 1.070 507 V CB -1.547 30.325 31.823 0.082 0.000 0.664 507 V HN 0.429 nan 8.190 nan 0.000 0.461 508 A N -0.896 121.850 122.820 -0.124 0.000 2.305 508 A HA 0.357 4.677 4.320 0.000 0.000 0.236 508 A C 0.709 178.183 177.584 -0.182 0.000 1.392 508 A CA 1.221 53.188 52.037 -0.116 0.000 1.205 508 A CB -0.463 18.497 19.000 -0.067 0.000 0.881 508 A HN 0.514 nan 8.150 nan 0.000 0.558 509 T N 0.000 114.392 114.554 -0.270 0.000 3.816 509 T HA 0.000 4.350 4.350 0.000 0.000 0.228 509 T CA 0.000 61.930 62.100 -0.283 0.000 1.349 509 T CB 0.000 68.666 68.868 -0.337 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658