REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3ofn_1_L DATA FIRST_RESID 26 DATA SEQUENCE NLNETGRVLA VGDGIARVFG LNNIQAEELV EFSSGVKGMA LILEPGQVGI DATA SEQUENCE VLFGSDRLVK EGELVKRTGN IVDVPVGPGL LGRVVDALGN PIDGKGPIDA DATA SEQUENCE AGRSRAQVKA PGILPRRSVH EPVQTGLKAV DALVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTAVALDTI LNQKRWNNGS DESKKLYCVY VAVGQKRSTV AQLVQTLEQH DATA SEQUENCE DAMKYSIIVA ATASEAAPLQ YLAPFTAASI GEWFRDNGKH ALIVYDDLSK DATA SEQUENCE QAVAYRQLSL LLRRPPGREA YPGDVFYLHS RLLERAAKLS EKEGSGSLTA DATA SEQUENCE LPVIETQGGD VSAYIPTNVI SITDGQIFLE AELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQVKAL KQVAGSLKLF LAQYREVAAF XXXXXDLDAS TKQTLVRGER DATA SEQUENCE LTQLLKQNQY SPLATEEQVP LIYAGVNGHL DGIELSRIGE FESSFLSYLK DATA SEQUENCE SNHNELLTEI REKGELSKEL LASLKSATES FVAT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 26 N HA 0.000 nan 4.740 nan 0.000 0.220 26 N C 0.000 175.493 175.510 -0.028 0.000 1.280 26 N CA 0.000 53.044 53.050 -0.011 0.000 0.885 26 N CB 0.000 38.479 38.487 -0.013 0.000 1.341 27 L N 2.292 123.485 121.223 -0.049 0.000 2.912 27 L HA 0.415 4.755 4.340 -0.000 0.000 0.240 27 L C 0.924 177.722 176.870 -0.120 0.000 1.262 27 L CA -0.225 54.554 54.840 -0.101 0.000 1.058 27 L CB -0.182 41.774 42.059 -0.171 0.000 1.383 27 L HN 0.505 nan 8.230 nan 0.000 0.512 28 N N -0.039 118.613 118.700 -0.080 0.000 2.436 28 N HA -0.018 4.722 4.740 -0.000 0.000 0.178 28 N C 1.434 176.904 175.510 -0.067 0.000 1.026 28 N CA 0.873 53.879 53.050 -0.073 0.000 0.880 28 N CB 0.417 38.873 38.487 -0.051 0.000 1.061 28 N HN 0.225 nan 8.380 nan 0.000 0.434 29 E N -0.254 119.911 120.200 -0.057 0.000 2.490 29 E HA 0.094 4.444 4.350 -0.000 0.000 0.209 29 E C 0.447 177.009 176.600 -0.062 0.000 0.971 29 E CA 0.278 56.647 56.400 -0.052 0.000 0.988 29 E CB 0.779 30.456 29.700 -0.038 0.000 1.029 29 E HN 0.333 nan 8.360 nan 0.000 0.496 30 T N -1.774 112.741 114.554 -0.065 0.000 2.906 30 T HA 0.757 5.107 4.350 -0.000 0.000 0.295 30 T C 0.149 174.803 174.700 -0.078 0.000 1.075 30 T CA -0.523 61.535 62.100 -0.070 0.000 1.005 30 T CB 2.610 71.450 68.868 -0.046 0.000 1.136 30 T HN -0.005 nan 8.240 nan 0.000 0.498 31 G N 0.509 109.263 108.800 -0.076 0.000 2.725 31 G HA2 0.667 4.627 3.960 -0.000 0.000 0.288 31 G HA3 0.667 4.627 3.960 -0.000 0.000 0.288 31 G C -1.678 173.232 174.900 0.017 0.000 1.399 31 G CA -1.134 43.936 45.100 -0.051 0.000 0.859 31 G HN 0.732 nan 8.290 nan 0.000 0.479 32 R N -0.463 120.100 120.500 0.105 0.000 2.437 32 R HA 0.522 4.862 4.340 -0.000 0.000 0.310 32 R C -0.230 176.164 176.300 0.157 0.000 0.955 32 R CA -0.569 55.615 56.100 0.141 0.000 0.851 32 R CB 1.838 32.248 30.300 0.184 0.000 1.161 32 R HN 0.338 nan 8.270 nan 0.000 0.446 33 V N 5.846 125.846 119.914 0.144 0.000 2.458 33 V HA -0.058 4.062 4.120 -0.000 0.000 0.287 33 V C 1.536 177.699 176.094 0.115 0.000 1.009 33 V CA 0.521 62.916 62.300 0.159 0.000 1.091 33 V CB 0.179 32.112 31.823 0.184 0.000 0.960 33 V HN 0.760 nan 8.190 nan 0.000 0.476 34 L N 4.027 125.316 121.223 0.111 0.000 2.127 34 L HA 0.345 4.685 4.340 -0.000 0.000 0.203 34 L C 0.977 177.874 176.870 0.044 0.000 1.080 34 L CA 1.260 56.141 54.840 0.068 0.000 0.768 34 L CB 0.117 42.222 42.059 0.076 0.000 0.924 34 L HN 0.819 nan 8.230 nan 0.000 0.444 35 A N -1.174 121.677 122.820 0.052 0.000 2.605 35 A HA 0.593 4.913 4.320 -0.000 0.000 0.294 35 A C -1.769 175.833 177.584 0.029 0.000 1.062 35 A CA -0.359 51.696 52.037 0.031 0.000 0.682 35 A CB 1.827 20.838 19.000 0.018 0.000 1.278 35 A HN -0.206 nan 8.150 nan 0.000 0.410 36 V N 0.292 120.210 119.914 0.007 0.000 2.808 36 V HA 0.954 5.074 4.120 -0.000 0.000 0.308 36 V C -0.230 175.848 176.094 -0.027 0.000 1.099 36 V CA 0.745 63.035 62.300 -0.018 0.000 0.920 36 V CB 1.931 33.728 31.823 -0.043 0.000 1.014 36 V HN 2.429 nan 8.190 nan 0.000 0.425 37 G N 3.441 112.219 108.800 -0.037 0.000 2.503 37 G HA2 0.471 4.431 3.960 -0.000 0.000 0.305 37 G HA3 0.471 4.431 3.960 -0.000 0.000 0.305 37 G C -0.990 173.888 174.900 -0.036 0.000 1.575 37 G CA -0.016 45.064 45.100 -0.034 0.000 0.890 37 G HN 0.984 nan 8.290 nan 0.000 0.612 38 D N 0.199 120.578 120.400 -0.034 0.000 2.697 38 D HA -0.164 4.476 4.640 -0.000 0.000 0.238 38 D C 1.574 177.852 176.300 -0.037 0.000 1.152 38 D CA 2.562 56.544 54.000 -0.031 0.000 0.666 38 D CB -1.105 39.680 40.800 -0.025 0.000 1.037 38 D HN 2.273 nan 8.370 nan 0.000 0.423 39 G N -0.661 108.109 108.800 -0.050 0.000 2.168 39 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.257 39 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.257 39 G C 0.234 175.091 174.900 -0.070 0.000 0.997 39 G CA 0.515 45.578 45.100 -0.061 0.000 0.708 39 G HN 0.536 nan 8.290 nan 0.000 0.520 40 I N -0.008 120.526 120.570 -0.061 0.000 2.582 40 I HA 0.734 4.904 4.170 -0.000 0.000 0.292 40 I C 0.152 176.250 176.117 -0.030 0.000 1.066 40 I CA -1.057 60.218 61.300 -0.043 0.000 1.053 40 I CB 1.727 39.711 38.000 -0.028 0.000 1.241 40 I HN 0.398 nan 8.210 nan 0.000 0.421 41 A N 6.412 129.237 122.820 0.009 0.000 2.335 41 A HA 0.704 5.024 4.320 -0.000 0.000 0.304 41 A C -0.307 177.335 177.584 0.096 0.000 1.118 41 A CA -0.710 51.364 52.037 0.062 0.000 0.757 41 A CB 0.951 20.024 19.000 0.121 0.000 1.188 41 A HN 0.710 nan 8.150 nan 0.000 0.460 42 R N 1.216 121.762 120.500 0.077 0.000 2.298 42 R HA 0.508 4.848 4.340 -0.000 0.000 0.310 42 R C -0.676 175.692 176.300 0.113 0.000 1.068 42 R CA -0.004 56.144 56.100 0.081 0.000 0.957 42 R CB 1.148 31.485 30.300 0.062 0.000 1.003 42 R HN 0.484 nan 8.270 nan 0.000 0.454 43 V N 4.020 124.001 119.914 0.112 0.000 2.815 43 V HA 0.421 4.541 4.120 -0.000 0.000 0.314 43 V C -0.776 175.412 176.094 0.157 0.000 1.064 43 V CA -0.854 61.520 62.300 0.123 0.000 0.952 43 V CB 1.785 33.646 31.823 0.063 0.000 1.020 43 V HN 0.528 nan 8.190 nan 0.000 0.439 44 F N 2.243 122.200 119.950 0.011 0.000 2.450 44 F HA 0.817 5.344 4.527 -0.000 0.000 0.332 44 F C 0.712 176.509 175.800 -0.006 0.000 1.093 44 F CA 0.936 58.938 58.000 0.004 0.000 1.003 44 F CB 1.373 40.377 39.000 0.007 0.000 1.151 44 F HN 0.918 nan 8.300 nan 0.000 0.474 45 G N 4.016 112.263 108.800 -0.922 0.000 2.545 45 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.240 45 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.240 45 G C 0.093 174.802 174.900 -0.318 0.000 1.172 45 G CA -0.342 44.358 45.100 -0.667 0.000 0.949 45 G HN 1.430 nan 8.290 nan 0.000 0.574 46 L N 0.159 121.259 121.223 -0.205 0.000 3.762 46 L HA -0.229 4.111 4.340 -0.000 0.000 0.460 46 L C 1.643 178.439 176.870 -0.123 0.000 1.255 46 L CA 0.522 55.280 54.840 -0.137 0.000 0.783 46 L CB -1.301 40.688 42.059 -0.116 0.000 1.600 46 L HN 0.628 nan 8.230 nan 0.000 0.862 47 N N 0.521 119.143 118.700 -0.131 0.000 2.084 47 N HA -0.114 4.626 4.740 -0.000 0.000 0.190 47 N C 1.273 176.740 175.510 -0.071 0.000 1.030 47 N CA 1.845 54.830 53.050 -0.109 0.000 0.849 47 N CB -0.182 38.239 38.487 -0.109 0.000 1.012 47 N HN 0.567 nan 8.380 nan 0.000 0.423 48 N N 0.981 119.645 118.700 -0.060 0.000 2.521 48 N HA 0.018 4.758 4.740 -0.000 0.000 0.188 48 N C 0.737 176.226 175.510 -0.036 0.000 1.146 48 N CA -0.070 52.955 53.050 -0.042 0.000 0.893 48 N CB 0.209 38.675 38.487 -0.035 0.000 0.975 48 N HN 0.363 nan 8.380 nan 0.000 0.451 49 I N 1.147 121.691 120.570 -0.044 0.000 3.045 49 I HA -0.174 3.996 4.170 -0.000 0.000 0.288 49 I C 0.111 176.215 176.117 -0.022 0.000 1.238 49 I CA 0.329 61.608 61.300 -0.035 0.000 1.396 49 I CB 0.526 38.499 38.000 -0.045 0.000 1.355 49 I HN 0.100 nan 8.210 nan 0.000 0.601 50 Q N 5.047 124.840 119.800 -0.011 0.000 2.348 50 Q HA 0.611 4.950 4.340 -0.000 0.000 0.271 50 Q C -0.483 175.521 176.000 0.006 0.000 1.067 50 Q CA -1.049 54.753 55.803 -0.002 0.000 0.839 50 Q CB 1.636 30.375 28.738 0.002 0.000 1.354 50 Q HN 0.757 nan 8.270 nan 0.000 0.447 51 A N 1.959 124.786 122.820 0.011 0.000 2.566 51 A HA 0.015 4.335 4.320 -0.000 0.000 0.245 51 A C -0.044 177.557 177.584 0.028 0.000 1.056 51 A CA 0.442 52.491 52.037 0.020 0.000 0.757 51 A CB -0.421 18.593 19.000 0.022 0.000 0.979 51 A HN 0.885 nan 8.150 nan 0.000 0.508 52 E N -0.065 120.160 120.200 0.041 0.000 2.468 52 E HA -0.172 4.178 4.350 -0.000 0.000 0.264 52 E C -0.185 176.451 176.600 0.061 0.000 1.069 52 E CA 1.053 57.488 56.400 0.059 0.000 0.768 52 E CB -1.418 28.312 29.700 0.049 0.000 1.332 52 E HN 0.897 nan 8.360 nan 0.000 0.398 53 E N 1.160 121.392 120.200 0.054 0.000 2.145 53 E HA 0.372 4.722 4.350 -0.000 0.000 0.270 53 E C -0.369 176.276 176.600 0.074 0.000 0.906 53 E CA -0.838 55.593 56.400 0.051 0.000 0.761 53 E CB 0.970 30.683 29.700 0.022 0.000 1.116 53 E HN 0.104 nan 8.360 nan 0.000 0.408 54 L N 4.550 125.839 121.223 0.109 0.000 2.514 54 L HA 0.067 4.407 4.340 -0.000 0.000 0.280 54 L C -0.308 176.615 176.870 0.088 0.000 1.223 54 L CA 0.569 55.508 54.840 0.165 0.000 0.864 54 L CB 1.015 43.175 42.059 0.169 0.000 1.118 54 L HN 0.469 nan 8.230 nan 0.000 0.494 55 V N 0.496 120.463 119.914 0.088 0.000 3.102 55 V HA 0.678 4.798 4.120 -0.000 0.000 0.312 55 V C -0.724 175.366 176.094 -0.006 0.000 1.135 55 V CA -0.858 61.424 62.300 -0.030 0.000 1.022 55 V CB 2.051 33.766 31.823 -0.180 0.000 1.056 55 V HN 0.754 nan 8.190 nan 0.000 0.436 56 E N 1.270 121.407 120.200 -0.105 0.000 2.199 56 E HA 0.585 4.935 4.350 -0.000 0.000 0.265 56 E C -1.805 174.704 176.600 -0.152 0.000 0.882 56 E CA -0.511 55.878 56.400 -0.018 0.000 0.759 56 E CB 2.051 31.765 29.700 0.023 0.000 1.148 56 E HN 0.648 nan 8.360 nan 0.000 0.412 57 F N 1.328 121.302 119.950 0.040 0.000 2.394 57 F HA 0.073 4.600 4.527 -0.000 0.000 0.340 57 F C 1.866 177.685 175.800 0.031 0.000 1.105 57 F CA -0.381 57.638 58.000 0.032 0.000 1.124 57 F CB 1.502 40.520 39.000 0.030 0.000 1.145 57 F HN 0.491 nan 8.300 nan 0.000 0.505 58 S N -0.105 115.699 115.700 0.172 0.000 2.441 58 S HA -0.226 4.244 4.470 -0.000 0.000 0.242 58 S C 1.536 176.201 174.600 0.108 0.000 1.018 58 S CA 1.304 59.568 58.200 0.108 0.000 0.988 58 S CB -0.891 62.358 63.200 0.082 0.000 0.778 58 S HN 0.656 nan 8.310 nan 0.000 0.498 59 S N 0.068 115.851 115.700 0.138 0.000 2.743 59 S HA 0.536 5.006 4.470 -0.000 0.000 0.230 59 S C 1.480 176.137 174.600 0.095 0.000 0.950 59 S CA 0.257 58.514 58.200 0.095 0.000 0.976 59 S CB -0.653 62.590 63.200 0.072 0.000 0.779 59 S HN 1.343 nan 8.310 nan 0.000 0.487 60 G N 0.188 109.057 108.800 0.115 0.000 2.383 60 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.229 60 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.229 60 G C 0.219 175.201 174.900 0.136 0.000 1.089 60 G CA -0.026 45.135 45.100 0.103 0.000 0.640 60 G HN 0.923 nan 8.290 nan 0.000 0.510 61 V N 1.977 121.985 119.914 0.158 0.000 2.811 61 V HA 0.545 4.665 4.120 -0.000 0.000 0.302 61 V C 0.654 176.942 176.094 0.323 0.000 1.063 61 V CA 0.258 62.662 62.300 0.174 0.000 1.088 61 V CB 1.181 33.042 31.823 0.064 0.000 0.982 61 V HN 0.414 nan 8.190 nan 0.000 0.485 62 K N 3.748 124.338 120.400 0.317 0.000 2.098 62 K HA 0.744 5.064 4.320 -0.000 0.000 0.258 62 K C 0.119 177.000 176.600 0.469 0.000 0.973 62 K CA 0.078 56.610 56.287 0.408 0.000 0.898 62 K CB 1.744 34.465 32.500 0.367 0.000 1.057 62 K HN 0.914 nan 8.250 nan 0.000 0.447 63 G N 0.651 109.692 108.800 0.403 0.000 2.921 63 G HA2 0.687 4.647 3.960 -0.000 0.000 0.291 63 G HA3 0.687 4.647 3.960 -0.000 0.000 0.291 63 G C -1.715 173.168 174.900 -0.029 0.000 1.370 63 G CA -0.631 44.533 45.100 0.107 0.000 0.847 63 G HN 0.486 nan 8.290 nan 0.000 0.532 64 M N 0.073 119.582 119.600 -0.152 0.000 2.371 64 M HA 0.623 5.103 4.480 -0.000 0.000 0.287 64 M C -1.459 174.831 176.300 -0.017 0.000 1.149 64 M CA -0.844 54.424 55.300 -0.053 0.000 0.929 64 M CB 2.184 34.719 32.600 -0.108 0.000 1.683 64 M HN 0.803 nan 8.290 nan 0.000 0.470 65 A N 4.884 127.715 122.820 0.019 0.000 2.366 65 A HA 0.502 4.822 4.320 -0.000 0.000 0.322 65 A C -0.045 177.555 177.584 0.026 0.000 1.397 65 A CA -0.446 51.600 52.037 0.015 0.000 0.984 65 A CB 0.019 19.022 19.000 0.005 0.000 1.149 65 A HN 1.028 nan 8.150 nan 0.000 0.540 66 L N 2.296 123.533 121.223 0.023 0.000 2.298 66 L HA 0.335 4.675 4.340 -0.000 0.000 0.209 66 L C 0.022 176.908 176.870 0.027 0.000 1.084 66 L CA 0.825 55.685 54.840 0.033 0.000 0.816 66 L CB 0.193 42.270 42.059 0.030 0.000 0.967 66 L HN 0.632 nan 8.230 nan 0.000 0.460 67 I N 0.591 121.172 120.570 0.018 0.000 2.410 67 I HA 0.234 4.404 4.170 -0.000 0.000 0.286 67 I C -0.972 175.153 176.117 0.013 0.000 1.009 67 I CA -0.246 61.064 61.300 0.016 0.000 1.111 67 I CB 1.756 39.764 38.000 0.014 0.000 1.262 67 I HN -0.114 nan 8.210 nan 0.000 0.443 68 L N 6.834 128.063 121.223 0.011 0.000 2.294 68 L HA 0.522 4.862 4.340 -0.000 0.000 0.283 68 L C -0.227 176.647 176.870 0.006 0.000 1.015 68 L CA -0.398 54.444 54.840 0.004 0.000 0.831 68 L CB 1.079 43.138 42.059 -0.001 0.000 1.217 68 L HN 0.606 nan 8.230 nan 0.000 0.420 69 E N 3.266 123.472 120.200 0.009 0.000 2.249 69 E HA 0.341 4.691 4.350 -0.000 0.000 0.263 69 E C -1.696 174.911 176.600 0.012 0.000 0.950 69 E CA -1.709 54.699 56.400 0.014 0.000 0.827 69 E CB 1.894 31.607 29.700 0.021 0.000 1.220 69 E HN 0.288 nan 8.360 nan 0.000 0.411 70 P HA -0.172 nan 4.420 nan 0.000 0.214 70 P C 1.118 178.437 177.300 0.030 0.000 1.163 70 P CA 1.396 64.506 63.100 0.016 0.000 0.889 70 P CB 0.104 31.817 31.700 0.021 0.000 0.790 71 G N -1.403 107.432 108.800 0.057 0.000 2.394 71 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.215 71 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.215 71 G C 0.442 175.426 174.900 0.140 0.000 1.165 71 G CA 0.593 45.762 45.100 0.115 0.000 0.784 71 G HN 0.477 nan 8.290 nan 0.000 0.535 72 Q N -1.896 117.956 119.800 0.087 0.000 2.630 72 Q HA 0.652 4.992 4.340 -0.000 0.000 0.295 72 Q C -1.847 174.176 176.000 0.038 0.000 0.944 72 Q CA -0.982 54.875 55.803 0.090 0.000 0.766 72 Q CB 2.224 31.047 28.738 0.142 0.000 1.471 72 Q HN -0.068 nan 8.270 nan 0.000 0.416 73 V N 0.567 120.499 119.914 0.030 0.000 2.555 73 V HA 0.804 4.924 4.120 -0.000 0.000 0.302 73 V C 0.102 176.216 176.094 0.033 0.000 1.038 73 V CA -0.294 62.015 62.300 0.015 0.000 0.887 73 V CB 1.780 33.597 31.823 -0.011 0.000 0.991 73 V HN 0.856 nan 8.190 nan 0.000 0.434 74 G N 4.258 113.074 108.800 0.027 0.000 2.325 74 G HA2 0.681 4.640 3.960 -0.000 0.000 0.298 74 G HA3 0.681 4.640 3.960 -0.000 0.000 0.298 74 G C -0.906 174.012 174.900 0.029 0.000 1.134 74 G CA -0.269 44.848 45.100 0.030 0.000 0.876 74 G HN 0.579 nan 8.290 nan 0.000 0.452 75 I N 2.172 122.771 120.570 0.049 0.000 2.466 75 I HA 0.262 4.432 4.170 -0.000 0.000 0.289 75 I C 0.065 176.190 176.117 0.013 0.000 1.026 75 I CA -1.109 60.223 61.300 0.054 0.000 1.078 75 I CB 2.480 40.568 38.000 0.146 0.000 1.249 75 I HN 0.400 nan 8.210 nan 0.000 0.429 76 V N 5.558 125.436 119.914 -0.060 0.000 2.465 76 V HA 0.526 4.646 4.120 -0.000 0.000 0.279 76 V C -0.012 175.936 176.094 -0.244 0.000 1.045 76 V CA -0.713 61.513 62.300 -0.124 0.000 0.938 76 V CB 0.957 32.706 31.823 -0.124 0.000 0.986 76 V HN 0.486 nan 8.190 nan 0.000 0.467 77 L N 3.685 124.786 121.223 -0.203 0.000 2.418 77 L HA 0.401 4.741 4.340 -0.000 0.000 0.265 77 L C 0.757 177.490 176.870 -0.229 0.000 1.143 77 L CA -0.297 54.409 54.840 -0.223 0.000 0.809 77 L CB 0.550 42.497 42.059 -0.187 0.000 1.124 77 L HN 0.585 nan 8.230 nan 0.000 0.456 78 F N 0.278 120.270 119.950 0.070 0.000 2.698 78 F HA 0.231 4.758 4.527 -0.000 0.000 0.295 78 F C 1.331 177.157 175.800 0.044 0.000 1.124 78 F CA -0.223 57.820 58.000 0.072 0.000 1.426 78 F CB 0.081 39.134 39.000 0.087 0.000 1.120 78 F HN 0.474 nan 8.300 nan 0.000 0.583 79 G N -1.109 107.788 108.800 0.160 0.000 2.605 79 G HA2 0.370 4.330 3.960 -0.000 0.000 0.296 79 G HA3 0.370 4.330 3.960 -0.000 0.000 0.296 79 G C -0.870 174.039 174.900 0.016 0.000 1.304 79 G CA -0.748 44.405 45.100 0.088 0.000 0.941 79 G HN -0.065 nan 8.290 nan 0.000 0.475 80 S N -0.056 115.652 115.700 0.013 0.000 2.810 80 S HA -0.059 4.411 4.470 -0.000 0.000 0.329 80 S C 1.137 175.707 174.600 -0.050 0.000 1.231 80 S CA 0.616 58.809 58.200 -0.012 0.000 1.042 80 S CB 0.274 63.473 63.200 -0.001 0.000 0.756 80 S HN 0.617 nan 8.310 nan 0.000 0.504 81 D N 4.500 124.859 120.400 -0.069 0.000 2.332 81 D HA -0.091 4.549 4.640 -0.000 0.000 0.244 81 D C 1.490 177.742 176.300 -0.079 0.000 1.136 81 D CA 0.027 53.962 54.000 -0.108 0.000 0.884 81 D CB -0.358 40.375 40.800 -0.111 0.000 0.906 81 D HN 0.842 nan 8.370 nan 0.000 0.520 82 R N -0.109 120.361 120.500 -0.050 0.000 2.280 82 R HA 0.067 4.407 4.340 -0.000 0.000 0.207 82 R C 1.423 177.705 176.300 -0.030 0.000 1.043 82 R CA 0.355 56.435 56.100 -0.032 0.000 1.006 82 R CB -0.380 29.910 30.300 -0.017 0.000 0.885 82 R HN 0.206 nan 8.270 nan 0.000 0.467 83 L N 0.859 122.057 121.223 -0.041 0.000 2.470 83 L HA 0.187 4.527 4.340 -0.000 0.000 0.219 83 L C 0.291 177.142 176.870 -0.032 0.000 1.071 83 L CA -0.224 54.602 54.840 -0.025 0.000 0.850 83 L CB 0.691 42.743 42.059 -0.011 0.000 1.040 83 L HN -0.094 nan 8.230 nan 0.000 0.475 84 V N 0.901 120.763 119.914 -0.088 0.000 2.637 84 V HA 0.131 4.251 4.120 -0.000 0.000 0.296 84 V C 0.097 176.168 176.094 -0.039 0.000 1.046 84 V CA -0.083 62.159 62.300 -0.098 0.000 1.066 84 V CB 0.727 32.380 31.823 -0.285 0.000 0.968 84 V HN 0.198 nan 8.190 nan 0.000 0.483 85 K N 1.929 122.336 120.400 0.011 0.000 2.439 85 K HA 0.461 4.781 4.320 -0.000 0.000 0.260 85 K C -0.496 176.129 176.600 0.043 0.000 1.032 85 K CA -0.957 55.341 56.287 0.019 0.000 0.882 85 K CB 2.242 34.754 32.500 0.021 0.000 1.420 85 K HN 0.770 nan 8.250 nan 0.000 0.455 86 E N -0.180 120.039 120.200 0.033 0.000 2.404 86 E HA 0.081 4.431 4.350 -0.000 0.000 0.261 86 E C 0.625 177.252 176.600 0.046 0.000 1.074 86 E CA 1.215 57.638 56.400 0.039 0.000 0.917 86 E CB 0.402 30.115 29.700 0.021 0.000 0.965 86 E HN 0.704 nan 8.360 nan 0.000 0.433 87 G N 3.060 111.891 108.800 0.052 0.000 2.353 87 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.258 87 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.258 87 G C 0.309 175.250 174.900 0.069 0.000 1.013 87 G CA 0.697 45.828 45.100 0.052 0.000 0.622 87 G HN 0.705 nan 8.290 nan 0.000 0.535 88 E N 0.387 120.637 120.200 0.084 0.000 2.481 88 E HA 0.312 4.662 4.350 -0.000 0.000 0.263 88 E C 0.624 177.290 176.600 0.109 0.000 0.992 88 E CA -0.450 56.013 56.400 0.104 0.000 0.938 88 E CB 0.229 30.011 29.700 0.136 0.000 0.933 88 E HN 0.444 nan 8.360 nan 0.000 0.453 89 L N 4.527 125.801 121.223 0.084 0.000 2.397 89 L HA 0.226 4.566 4.340 -0.000 0.000 0.271 89 L C -0.975 175.899 176.870 0.006 0.000 1.148 89 L CA -0.382 54.484 54.840 0.043 0.000 0.825 89 L CB 0.927 43.004 42.059 0.030 0.000 1.117 89 L HN 0.351 nan 8.230 nan 0.000 0.456 90 V N 4.164 124.023 119.914 -0.092 0.000 2.735 90 V HA 0.497 4.617 4.120 -0.000 0.000 0.310 90 V C -0.405 175.568 176.094 -0.201 0.000 1.061 90 V CA -0.967 61.158 62.300 -0.292 0.000 0.913 90 V CB 1.674 33.205 31.823 -0.487 0.000 1.005 90 V HN 0.662 nan 8.190 nan 0.000 0.428 91 K N 2.606 122.882 120.400 -0.206 0.000 2.259 91 K HA 0.602 4.922 4.320 -0.000 0.000 0.249 91 K C -0.341 176.185 176.600 -0.123 0.000 0.942 91 K CA -0.868 55.346 56.287 -0.121 0.000 0.816 91 K CB 1.988 34.447 32.500 -0.068 0.000 1.155 91 K HN 0.666 nan 8.250 nan 0.000 0.428 92 R N 0.544 120.993 120.500 -0.084 0.000 2.679 92 R HA 0.101 4.441 4.340 -0.000 0.000 0.269 92 R C 0.685 176.964 176.300 -0.035 0.000 1.076 92 R CA 0.116 56.179 56.100 -0.061 0.000 1.160 92 R CB 0.757 31.028 30.300 -0.048 0.000 1.054 92 R HN 0.707 nan 8.270 nan 0.000 0.507 93 T N -0.750 113.795 114.554 -0.015 0.000 2.988 93 T HA 0.146 4.496 4.350 -0.000 0.000 0.240 93 T C 1.241 175.941 174.700 -0.001 0.000 1.014 93 T CA 0.643 62.744 62.100 0.001 0.000 1.155 93 T CB 0.158 69.040 68.868 0.022 0.000 0.872 93 T HN 0.872 nan 8.240 nan 0.000 0.440 94 G N 1.535 110.335 108.800 -0.001 0.000 2.254 94 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.225 94 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.225 94 G C 0.019 174.923 174.900 0.006 0.000 1.003 94 G CA -0.262 44.837 45.100 -0.001 0.000 0.622 94 G HN 0.521 nan 8.290 nan 0.000 0.507 95 N N 1.415 120.122 118.700 0.013 0.000 2.514 95 N HA 0.536 5.276 4.740 -0.000 0.000 0.277 95 N C 0.486 176.013 175.510 0.028 0.000 1.126 95 N CA -0.498 52.562 53.050 0.018 0.000 0.978 95 N CB 0.943 39.442 38.487 0.020 0.000 1.106 95 N HN 0.173 nan 8.380 nan 0.000 0.461 96 I N 1.722 122.307 120.570 0.024 0.000 2.638 96 I HA 0.047 4.217 4.170 -0.000 0.000 0.286 96 I C 0.439 176.579 176.117 0.038 0.000 1.088 96 I CA -0.506 60.813 61.300 0.032 0.000 1.397 96 I CB 0.522 38.534 38.000 0.019 0.000 1.414 96 I HN 0.244 nan 8.210 nan 0.000 0.566 97 V N 5.759 125.708 119.914 0.059 0.000 2.583 97 V HA -0.058 4.062 4.120 -0.000 0.000 0.302 97 V C 0.148 176.253 176.094 0.018 0.000 1.033 97 V CA 0.354 62.689 62.300 0.059 0.000 1.194 97 V CB -0.583 31.301 31.823 0.101 0.000 0.879 97 V HN 0.925 nan 8.190 nan 0.000 0.482 98 D N 3.649 124.050 120.400 0.003 0.000 2.626 98 D HA 0.669 5.309 4.640 -0.000 0.000 0.278 98 D C -0.768 175.520 176.300 -0.020 0.000 1.211 98 D CA -0.670 53.328 54.000 -0.005 0.000 0.903 98 D CB 2.049 42.850 40.800 0.001 0.000 1.408 98 D HN 0.384 nan 8.370 nan 0.000 0.454 99 V N -3.374 116.533 119.914 -0.012 0.000 2.864 99 V HA 0.717 4.837 4.120 -0.000 0.000 0.314 99 V C -2.568 173.513 176.094 -0.021 0.000 1.073 99 V CA -2.160 60.128 62.300 -0.020 0.000 0.956 99 V CB 1.531 33.349 31.823 -0.007 0.000 1.023 99 V HN 0.589 nan 8.190 nan 0.000 0.435 100 P HA 0.341 nan 4.420 nan 0.000 0.271 100 P C -0.595 176.668 177.300 -0.062 0.000 1.218 100 P CA 0.128 63.199 63.100 -0.048 0.000 0.780 100 P CB 1.519 33.186 31.700 -0.056 0.000 0.901 101 V N -1.917 117.939 119.914 -0.097 0.000 3.181 101 V HA 1.003 5.123 4.120 -0.000 0.000 0.308 101 V C -0.198 175.659 176.094 -0.395 0.000 1.214 101 V CA -0.251 61.956 62.300 -0.154 0.000 1.053 101 V CB 1.370 33.175 31.823 -0.030 0.000 1.069 101 V HN 1.032 nan 8.190 nan 0.000 0.441 102 G N 1.381 109.745 108.800 -0.727 0.000 2.355 102 G HA2 0.193 4.153 3.960 -0.000 0.000 0.619 102 G HA3 0.193 4.153 3.960 -0.000 0.000 0.619 102 G C -2.649 171.583 174.900 -1.113 0.000 1.337 102 G CA -0.004 44.223 45.100 -1.456 0.000 0.993 102 G HN 0.789 nan 8.290 nan 0.000 0.599 103 P HA 0.054 nan 4.420 nan 0.000 0.233 103 P C 1.791 178.916 177.300 -0.292 0.000 1.167 103 P CA 1.505 64.243 63.100 -0.603 0.000 0.770 103 P CB -0.094 31.290 31.700 -0.528 0.000 0.837 104 G N 0.406 109.011 108.800 -0.324 0.000 2.470 104 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.220 104 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.220 104 G C 1.359 176.185 174.900 -0.122 0.000 1.121 104 G CA 0.262 45.252 45.100 -0.183 0.000 0.766 104 G HN 0.212 nan 8.290 nan 0.000 0.553 105 L N 0.191 121.335 121.223 -0.133 0.000 2.395 105 L HA 0.256 4.596 4.340 -0.000 0.000 0.218 105 L C 1.299 178.175 176.870 0.010 0.000 1.130 105 L CA 0.094 54.901 54.840 -0.054 0.000 0.826 105 L CB -0.197 41.834 42.059 -0.047 0.000 0.941 105 L HN 0.103 nan 8.230 nan 0.000 0.451 106 L N 0.155 121.402 121.223 0.040 0.000 2.601 106 L HA 0.080 4.420 4.340 -0.000 0.000 0.277 106 L C 1.468 178.365 176.870 0.045 0.000 1.219 106 L CA 0.849 55.742 54.840 0.090 0.000 0.915 106 L CB -0.255 41.886 42.059 0.137 0.000 1.160 106 L HN 0.441 nan 8.230 nan 0.000 0.494 107 G N 2.083 110.902 108.800 0.031 0.000 2.217 107 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.246 107 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.246 107 G C 0.379 175.271 174.900 -0.014 0.000 0.990 107 G CA -0.445 44.651 45.100 -0.007 0.000 0.627 107 G HN 0.469 nan 8.290 nan 0.000 0.522 108 R N -0.188 120.310 120.500 -0.004 0.000 2.596 108 R HA 0.728 5.068 4.340 -0.000 0.000 0.267 108 R C -0.182 176.116 176.300 -0.004 0.000 1.026 108 R CA -0.654 55.441 56.100 -0.008 0.000 1.087 108 R CB 1.381 31.674 30.300 -0.011 0.000 1.132 108 R HN 0.234 nan 8.270 nan 0.000 0.531 109 V N 1.981 121.891 119.914 -0.006 0.000 2.448 109 V HA 0.429 4.549 4.120 -0.000 0.000 0.295 109 V C -0.066 176.029 176.094 0.002 0.000 1.025 109 V CA -0.782 61.520 62.300 0.002 0.000 0.859 109 V CB 1.730 33.552 31.823 -0.002 0.000 0.988 109 V HN 0.585 nan 8.190 nan 0.000 0.431 110 V N 0.860 120.779 119.914 0.008 0.000 2.914 110 V HA 0.757 4.877 4.120 -0.000 0.000 0.314 110 V C -0.265 175.832 176.094 0.006 0.000 1.084 110 V CA -0.962 61.339 62.300 0.001 0.000 0.963 110 V CB 1.895 33.715 31.823 -0.005 0.000 1.025 110 V HN 0.823 nan 8.190 nan 0.000 0.432 111 D N 2.976 123.374 120.400 -0.003 0.000 2.356 111 D HA 0.344 4.984 4.640 -0.000 0.000 0.258 111 D C 1.349 177.639 176.300 -0.017 0.000 1.279 111 D CA 0.300 54.298 54.000 -0.003 0.000 1.016 111 D CB 0.560 41.355 40.800 -0.008 0.000 1.107 111 D HN 0.799 nan 8.370 nan 0.000 0.544 112 A N -0.806 121.998 122.820 -0.025 0.000 1.972 112 A HA -0.055 4.265 4.320 -0.000 0.000 0.219 112 A C 2.263 179.797 177.584 -0.085 0.000 1.169 112 A CA 0.940 52.953 52.037 -0.039 0.000 0.635 112 A CB -0.767 18.216 19.000 -0.027 0.000 0.810 112 A HN 0.537 nan 8.150 nan 0.000 0.446 113 L N -1.354 119.791 121.223 -0.131 0.000 2.592 113 L HA 0.203 4.542 4.340 -0.000 0.000 0.227 113 L C 1.534 178.349 176.870 -0.092 0.000 1.127 113 L CA 0.528 55.271 54.840 -0.162 0.000 0.884 113 L CB -0.074 41.835 42.059 -0.251 0.000 1.065 113 L HN 0.600 nan 8.230 nan 0.000 0.457 114 G N -0.122 108.642 108.800 -0.060 0.000 2.141 114 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.242 114 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.242 114 G C 0.052 174.930 174.900 -0.037 0.000 0.982 114 G CA -0.387 44.689 45.100 -0.041 0.000 0.662 114 G HN 0.362 nan 8.290 nan 0.000 0.527 115 N N 2.146 120.824 118.700 -0.037 0.000 2.497 115 N HA 0.342 5.082 4.740 -0.000 0.000 0.271 115 N C -2.332 173.167 175.510 -0.018 0.000 1.142 115 N CA -0.792 52.242 53.050 -0.027 0.000 0.965 115 N CB 1.350 39.823 38.487 -0.024 0.000 1.077 115 N HN 0.219 nan 8.380 nan 0.000 0.462 116 P HA 0.088 nan 4.420 nan 0.000 0.271 116 P C 0.543 177.838 177.300 -0.008 0.000 1.216 116 P CA 0.039 63.131 63.100 -0.013 0.000 0.771 116 P CB 0.648 32.338 31.700 -0.015 0.000 0.864 117 I N -0.256 120.311 120.570 -0.005 0.000 4.338 117 I HA 0.161 4.331 4.170 -0.000 0.000 0.329 117 I C 0.640 176.755 176.117 -0.003 0.000 1.378 117 I CA -0.141 61.158 61.300 -0.001 0.000 1.170 117 I CB 0.109 38.111 38.000 0.004 0.000 1.206 117 I HN 0.032 nan 8.210 nan 0.000 0.432 118 D N 1.833 122.229 120.400 -0.007 0.000 2.363 118 D HA 0.061 4.701 4.640 -0.000 0.000 0.226 118 D C 1.703 177.997 176.300 -0.010 0.000 1.020 118 D CA 0.763 54.757 54.000 -0.010 0.000 0.892 118 D CB -0.316 40.476 40.800 -0.014 0.000 0.900 118 D HN 0.501 nan 8.370 nan 0.000 0.531 119 G N 0.852 109.647 108.800 -0.008 0.000 2.203 119 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.263 119 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.263 119 G C 0.633 175.527 174.900 -0.010 0.000 1.012 119 G CA 0.412 45.508 45.100 -0.008 0.000 0.749 119 G HN 0.471 nan 8.290 nan 0.000 0.512 120 K N 0.440 120.833 120.400 -0.012 0.000 2.577 120 K HA 0.423 4.743 4.320 -0.000 0.000 0.210 120 K C 1.561 178.152 176.600 -0.015 0.000 1.048 120 K CA 0.247 56.526 56.287 -0.014 0.000 1.188 120 K CB 0.188 32.678 32.500 -0.016 0.000 0.910 120 K HN 1.295 nan 8.250 nan 0.000 0.483 121 G N 2.488 111.280 108.800 -0.013 0.000 2.697 121 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.240 121 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.240 121 G C -2.467 172.423 174.900 -0.017 0.000 1.346 121 G CA -1.168 43.924 45.100 -0.014 0.000 0.887 121 G HN 0.098 nan 8.290 nan 0.000 0.569 122 P HA 0.182 nan 4.420 nan 0.000 0.269 122 P C 0.239 177.521 177.300 -0.029 0.000 1.185 122 P CA 0.178 63.265 63.100 -0.022 0.000 0.769 122 P CB 0.276 31.962 31.700 -0.022 0.000 0.809 123 I N 2.903 123.452 120.570 -0.035 0.000 2.328 123 I HA 0.114 4.284 4.170 -0.000 0.000 0.287 123 I C -0.029 176.053 176.117 -0.058 0.000 1.012 123 I CA -0.469 60.803 61.300 -0.046 0.000 1.195 123 I CB 1.006 38.979 38.000 -0.045 0.000 1.350 123 I HN 0.197 nan 8.210 nan 0.000 0.464 124 D N 6.268 126.626 120.400 -0.069 0.000 2.346 124 D HA 0.330 4.970 4.640 -0.000 0.000 0.260 124 D C 0.316 176.542 176.300 -0.123 0.000 1.252 124 D CA 0.214 54.163 54.000 -0.084 0.000 0.895 124 D CB 1.176 41.927 40.800 -0.082 0.000 1.097 124 D HN 0.544 nan 8.370 nan 0.000 0.489 125 A N 1.807 124.559 122.820 -0.114 0.000 2.305 125 A HA 0.622 4.942 4.320 -0.000 0.000 0.322 125 A C 1.108 178.601 177.584 -0.152 0.000 1.187 125 A CA -0.402 51.548 52.037 -0.145 0.000 0.825 125 A CB 1.392 20.332 19.000 -0.100 0.000 1.164 125 A HN 0.506 nan 8.150 nan 0.000 0.498 126 A N 2.028 124.712 122.820 -0.228 0.000 1.929 126 A HA 0.457 4.777 4.320 -0.000 0.000 0.216 126 A C 1.247 178.801 177.584 -0.052 0.000 1.176 126 A CA 1.937 53.879 52.037 -0.157 0.000 0.628 126 A CB -0.397 18.453 19.000 -0.248 0.000 0.816 126 A HN 2.000 nan 8.150 nan 0.000 0.444 127 G N -1.735 107.035 108.800 -0.051 0.000 2.578 127 G HA2 0.539 4.498 3.960 -0.000 0.000 0.302 127 G HA3 0.539 4.498 3.960 -0.000 0.000 0.302 127 G C -1.391 173.502 174.900 -0.012 0.000 1.243 127 G CA -0.946 44.151 45.100 -0.005 0.000 0.843 127 G HN 0.183 nan 8.290 nan 0.000 0.486 128 R N 0.470 120.974 120.500 0.007 0.000 2.473 128 R HA 0.569 4.908 4.340 -0.000 0.000 0.303 128 R C -0.757 175.555 176.300 0.020 0.000 1.002 128 R CA -0.467 55.635 56.100 0.004 0.000 0.884 128 R CB 1.910 32.208 30.300 -0.003 0.000 1.173 128 R HN 0.428 nan 8.270 nan 0.000 0.464 129 S N 2.069 117.786 115.700 0.029 0.000 2.632 129 S HA 0.373 4.843 4.470 -0.000 0.000 0.271 129 S C 0.485 175.096 174.600 0.020 0.000 1.260 129 S CA -0.748 57.472 58.200 0.033 0.000 1.010 129 S CB 1.161 64.392 63.200 0.052 0.000 0.965 129 S HN 0.362 nan 8.310 nan 0.000 0.534 130 R N 0.296 120.805 120.500 0.014 0.000 2.649 130 R HA 0.348 4.688 4.340 -0.000 0.000 0.270 130 R C 1.398 177.700 176.300 0.003 0.000 1.105 130 R CA -0.049 56.054 56.100 0.004 0.000 1.193 130 R CB 0.124 30.422 30.300 -0.004 0.000 1.120 130 R HN 0.745 nan 8.270 nan 0.000 0.561 131 A N 1.293 124.104 122.820 -0.014 0.000 1.854 131 A HA -0.077 4.243 4.320 -0.000 0.000 0.214 131 A C 0.416 177.958 177.584 -0.069 0.000 1.192 131 A CA 1.043 53.067 52.037 -0.021 0.000 0.611 131 A CB 0.033 19.007 19.000 -0.043 0.000 0.832 131 A HN 0.521 nan 8.150 nan 0.000 0.442 132 Q N 0.215 119.926 119.800 -0.149 0.000 2.303 132 Q HA 0.544 4.884 4.340 -0.000 0.000 0.257 132 Q C -1.339 174.606 176.000 -0.092 0.000 0.941 132 Q CA -0.080 55.594 55.803 -0.214 0.000 0.931 132 Q CB 1.638 30.210 28.738 -0.277 0.000 1.215 132 Q HN 0.149 nan 8.270 nan 0.000 0.437 133 V N 2.501 122.383 119.914 -0.054 0.000 2.638 133 V HA 0.261 4.381 4.120 -0.000 0.000 0.306 133 V C 0.013 176.103 176.094 -0.007 0.000 1.052 133 V CA -0.996 61.294 62.300 -0.016 0.000 0.885 133 V CB 2.380 34.208 31.823 0.009 0.000 0.999 133 V HN 0.644 nan 8.190 nan 0.000 0.424 134 K N 2.834 123.235 120.400 0.002 0.000 2.472 134 K HA 0.381 4.701 4.320 -0.000 0.000 0.280 134 K C 0.559 177.171 176.600 0.021 0.000 1.028 134 K CA 0.136 56.433 56.287 0.017 0.000 1.045 134 K CB 0.704 33.218 32.500 0.024 0.000 0.902 134 K HN 0.900 nan 8.250 nan 0.000 0.478 135 A N 5.765 128.601 122.820 0.027 0.000 2.448 135 A HA 0.174 4.493 4.320 -0.000 0.000 0.239 135 A C -2.073 175.527 177.584 0.026 0.000 1.080 135 A CA -1.020 51.034 52.037 0.028 0.000 0.779 135 A CB -0.405 18.613 19.000 0.030 0.000 1.026 135 A HN 0.507 nan 8.150 nan 0.000 0.499 136 P HA 0.199 nan 4.420 nan 0.000 0.265 136 P C 0.706 178.019 177.300 0.022 0.000 1.193 136 P CA 0.738 63.849 63.100 0.020 0.000 0.765 136 P CB 0.426 32.138 31.700 0.019 0.000 0.823 137 G N 1.764 110.575 108.800 0.019 0.000 2.583 137 G HA2 0.034 3.994 3.960 -0.000 0.000 0.275 137 G HA3 0.034 3.994 3.960 -0.000 0.000 0.275 137 G C 1.016 175.928 174.900 0.019 0.000 1.342 137 G CA -0.422 44.690 45.100 0.020 0.000 1.030 137 G HN 0.378 nan 8.290 nan 0.000 0.520 138 I N -0.959 119.622 120.570 0.019 0.000 2.315 138 I HA -0.061 4.109 4.170 -0.000 0.000 0.248 138 I C 2.521 178.647 176.117 0.014 0.000 1.117 138 I CA 0.639 61.949 61.300 0.017 0.000 1.404 138 I CB -0.207 37.803 38.000 0.017 0.000 1.071 138 I HN 0.285 nan 8.210 nan 0.000 0.419 139 L N 1.076 122.306 121.223 0.012 0.000 2.127 139 L HA 0.047 4.387 4.340 -0.000 0.000 0.203 139 L C -0.812 176.063 176.870 0.009 0.000 1.080 139 L CA 1.196 56.041 54.840 0.009 0.000 0.768 139 L CB -1.212 40.851 42.059 0.007 0.000 0.924 139 L HN 0.144 nan 8.230 nan 0.000 0.444 140 P HA -0.002 nan 4.420 nan 0.000 0.271 140 P C -0.734 176.574 177.300 0.014 0.000 1.535 140 P CA 0.509 63.614 63.100 0.009 0.000 0.820 140 P CB -0.247 31.456 31.700 0.006 0.000 1.606 141 R N -0.139 120.371 120.500 0.016 0.000 2.744 141 R HA 0.593 4.933 4.340 -0.000 0.000 0.279 141 R C -0.043 176.271 176.300 0.024 0.000 0.977 141 R CA -0.844 55.269 56.100 0.021 0.000 0.906 141 R CB 2.663 32.975 30.300 0.020 0.000 1.197 141 R HN -0.016 nan 8.270 nan 0.000 0.463 142 R N 0.507 121.028 120.500 0.035 0.000 2.873 142 R HA 0.463 4.803 4.340 -0.000 0.000 0.264 142 R C -0.732 175.602 176.300 0.057 0.000 1.026 142 R CA -0.551 55.576 56.100 0.045 0.000 1.002 142 R CB 1.763 32.102 30.300 0.065 0.000 1.174 142 R HN 0.611 nan 8.270 nan 0.000 0.488 143 S N 0.772 116.507 115.700 0.059 0.000 2.568 143 S HA 0.057 4.527 4.470 -0.000 0.000 0.282 143 S C -0.235 174.432 174.600 0.112 0.000 1.338 143 S CA -0.558 57.680 58.200 0.064 0.000 1.045 143 S CB 1.021 64.247 63.200 0.044 0.000 0.873 143 S HN 0.367 nan 8.310 nan 0.000 0.516 144 V N 5.249 125.195 119.914 0.053 0.000 2.421 144 V HA 0.083 4.203 4.120 -0.000 0.000 0.271 144 V C 1.288 177.403 176.094 0.035 0.000 1.031 144 V CA 0.400 62.703 62.300 0.004 0.000 1.032 144 V CB -0.512 31.293 31.823 -0.030 0.000 1.009 144 V HN 1.053 nan 8.190 nan 0.000 0.477 145 H N 2.423 121.454 119.070 -0.065 0.000 3.367 145 H HA 0.398 4.954 4.556 -0.000 0.000 0.257 145 H C -0.114 175.165 175.328 -0.081 0.000 1.201 145 H CA -0.499 55.513 56.048 -0.060 0.000 1.102 145 H CB 0.821 30.555 29.762 -0.047 0.000 1.656 145 H HN 0.586 nan 8.280 nan 0.000 0.662 146 E N 3.389 123.314 120.200 -0.457 0.000 2.187 146 E HA 0.354 4.704 4.350 -0.000 0.000 0.268 146 E C -2.850 173.584 176.600 -0.278 0.000 0.896 146 E CA -2.189 53.971 56.400 -0.401 0.000 0.766 146 E CB 2.601 31.970 29.700 -0.551 0.000 1.142 146 E HN 0.185 nan 8.360 nan 0.000 0.408 147 P HA 0.076 nan 4.420 nan 0.000 0.287 147 P C -0.511 176.635 177.300 -0.256 0.000 1.281 147 P CA -0.401 62.582 63.100 -0.194 0.000 0.781 147 P CB 0.934 32.547 31.700 -0.146 0.000 0.903 148 V N 5.315 125.107 119.914 -0.204 0.000 2.356 148 V HA 0.079 4.199 4.120 -0.000 0.000 0.258 148 V C 0.839 176.855 176.094 -0.130 0.000 1.065 148 V CA 0.023 62.206 62.300 -0.196 0.000 0.935 148 V CB -0.264 31.478 31.823 -0.135 0.000 1.061 148 V HN 0.501 nan 8.190 nan 0.000 0.484 149 Q N 2.510 122.222 119.800 -0.147 0.000 2.296 149 Q HA 0.158 4.498 4.340 -0.000 0.000 0.263 149 Q C 1.426 177.472 176.000 0.076 0.000 1.026 149 Q CA 0.247 56.053 55.803 0.004 0.000 0.912 149 Q CB 1.148 29.964 28.738 0.129 0.000 1.198 149 Q HN 0.932 nan 8.270 nan 0.000 0.407 150 T N -0.882 113.704 114.554 0.053 0.000 2.978 150 T HA 0.110 4.460 4.350 -0.000 0.000 0.262 150 T C 1.377 176.118 174.700 0.068 0.000 1.063 150 T CA 0.516 62.648 62.100 0.054 0.000 1.140 150 T CB 0.014 68.898 68.868 0.028 0.000 0.886 150 T HN 0.867 nan 8.240 nan 0.000 0.470 151 G N 1.220 110.063 108.800 0.073 0.000 2.143 151 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.249 151 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.249 151 G C -0.104 174.816 174.900 0.033 0.000 0.981 151 G CA 0.179 45.314 45.100 0.058 0.000 0.665 151 G HN 0.649 nan 8.290 nan 0.000 0.528 152 L N 0.370 121.610 121.223 0.028 0.000 2.262 152 L HA 0.384 4.724 4.340 -0.000 0.000 0.288 152 L C 1.755 178.638 176.870 0.022 0.000 1.035 152 L CA -0.838 54.013 54.840 0.017 0.000 0.820 152 L CB 1.165 43.230 42.059 0.009 0.000 1.204 152 L HN 0.056 nan 8.230 nan 0.000 0.424 153 K N 2.260 122.673 120.400 0.022 0.000 2.089 153 K HA -0.265 4.055 4.320 -0.000 0.000 0.210 153 K C 1.957 178.572 176.600 0.025 0.000 1.048 153 K CA 1.905 58.208 56.287 0.027 0.000 0.926 153 K CB -0.096 32.421 32.500 0.029 0.000 0.714 153 K HN 0.810 nan 8.250 nan 0.000 0.448 154 A N 0.806 123.640 122.820 0.022 0.000 1.873 154 A HA -0.099 4.221 4.320 -0.000 0.000 0.215 154 A C 2.407 180.007 177.584 0.026 0.000 1.186 154 A CA 1.390 53.442 52.037 0.025 0.000 0.616 154 A CB -0.561 18.453 19.000 0.024 0.000 0.823 154 A HN 0.070 nan 8.150 nan 0.000 0.442 155 V N 0.752 120.679 119.914 0.023 0.000 2.244 155 V HA -0.209 3.911 4.120 -0.000 0.000 0.244 155 V C 2.091 178.197 176.094 0.021 0.000 1.042 155 V CA 2.163 64.477 62.300 0.022 0.000 1.006 155 V CB -0.885 30.948 31.823 0.017 0.000 0.641 155 V HN 0.491 nan 8.190 nan 0.000 0.446 156 D N 0.322 120.735 120.400 0.021 0.000 2.218 156 D HA -0.112 4.528 4.640 -0.000 0.000 0.204 156 D C 2.075 178.387 176.300 0.021 0.000 0.976 156 D CA 1.567 55.579 54.000 0.020 0.000 0.853 156 D CB -0.050 40.766 40.800 0.027 0.000 0.939 156 D HN 0.479 nan 8.370 nan 0.000 0.481 157 A N 0.266 123.100 122.820 0.025 0.000 1.878 157 A HA 0.021 4.341 4.320 -0.000 0.000 0.213 157 A C 2.302 179.902 177.584 0.026 0.000 1.192 157 A CA 0.561 52.613 52.037 0.025 0.000 0.619 157 A CB -0.330 18.686 19.000 0.026 0.000 0.837 157 A HN 0.155 nan 8.150 nan 0.000 0.446 158 L N -0.553 120.687 121.223 0.029 0.000 2.221 158 L HA 0.114 4.454 4.340 -0.000 0.000 0.202 158 L C 0.516 177.405 176.870 0.032 0.000 1.074 158 L CA 0.600 55.461 54.840 0.035 0.000 0.795 158 L CB -0.191 41.894 42.059 0.043 0.000 0.960 158 L HN 0.243 nan 8.230 nan 0.000 0.458 159 V N -2.258 117.672 119.914 0.028 0.000 2.260 159 V HA 0.446 4.566 4.120 -0.000 0.000 0.263 159 V C -2.734 173.368 176.094 0.013 0.000 1.036 159 V CA -2.085 60.229 62.300 0.024 0.000 0.874 159 V CB -0.134 31.707 31.823 0.030 0.000 1.116 159 V HN -0.070 nan 8.190 nan 0.000 0.454 160 P HA 0.303 nan 4.420 nan 0.000 0.267 160 P C -0.139 177.153 177.300 -0.013 0.000 1.205 160 P CA 0.466 63.565 63.100 -0.003 0.000 0.765 160 P CB 0.707 32.404 31.700 -0.005 0.000 0.828 161 I N 2.113 122.668 120.570 -0.025 0.000 2.488 161 I HA 0.546 4.716 4.170 -0.000 0.000 0.299 161 I C 1.071 177.148 176.117 -0.067 0.000 0.984 161 I CA -0.248 61.029 61.300 -0.038 0.000 1.250 161 I CB 1.668 39.646 38.000 -0.036 0.000 1.389 161 I HN 0.331 nan 8.210 nan 0.000 0.488 162 G N 3.555 112.310 108.800 -0.076 0.000 2.481 162 G HA2 0.518 4.478 3.960 -0.000 0.000 0.315 162 G HA3 0.518 4.478 3.960 -0.000 0.000 0.315 162 G C -0.709 174.106 174.900 -0.142 0.000 1.231 162 G CA -0.877 44.153 45.100 -0.117 0.000 0.968 162 G HN 0.523 nan 8.290 nan 0.000 0.482 163 R N 0.383 120.753 120.500 -0.217 0.000 2.507 163 R HA 0.349 4.689 4.340 -0.000 0.000 0.341 163 R C 1.367 177.552 176.300 -0.191 0.000 0.960 163 R CA 1.713 57.660 56.100 -0.254 0.000 1.032 163 R CB 0.128 30.165 30.300 -0.438 0.000 0.933 163 R HN 1.123 nan 8.270 nan 0.000 0.418 164 G N 1.931 110.662 108.800 -0.114 0.000 2.284 164 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.201 164 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.201 164 G C 0.052 174.932 174.900 -0.033 0.000 0.998 164 G CA -0.172 44.892 45.100 -0.061 0.000 0.651 164 G HN 0.580 nan 8.290 nan 0.000 0.489 165 Q N 0.910 120.686 119.800 -0.041 0.000 2.332 165 Q HA 0.584 4.924 4.340 -0.000 0.000 0.263 165 Q C 0.014 176.007 176.000 -0.011 0.000 0.979 165 Q CA -0.339 55.451 55.803 -0.023 0.000 0.885 165 Q CB 0.411 29.131 28.738 -0.029 0.000 1.218 165 Q HN 0.337 nan 8.270 nan 0.000 0.405 166 R N 2.591 123.091 120.500 -0.001 0.000 2.254 166 R HA 0.292 4.632 4.340 -0.000 0.000 0.318 166 R C -1.074 175.227 176.300 0.001 0.000 1.031 166 R CA -0.313 55.790 56.100 0.005 0.000 0.905 166 R CB 1.172 31.473 30.300 0.001 0.000 1.050 166 R HN 0.545 nan 8.270 nan 0.000 0.456 167 E N 2.454 122.656 120.200 0.003 0.000 2.241 167 E HA 0.282 4.632 4.350 -0.000 0.000 0.263 167 E C -1.663 174.938 176.600 0.003 0.000 0.882 167 E CA -0.891 55.511 56.400 0.003 0.000 0.769 167 E CB 1.032 30.733 29.700 0.002 0.000 1.185 167 E HN 0.337 nan 8.360 nan 0.000 0.415 168 L N 5.305 126.530 121.223 0.004 0.000 2.349 168 L HA 0.527 4.867 4.340 -0.000 0.000 0.275 168 L C -1.021 175.854 176.870 0.009 0.000 1.115 168 L CA 0.080 54.919 54.840 -0.002 0.000 0.820 168 L CB 0.546 42.606 42.059 0.002 0.000 1.135 168 L HN 0.651 nan 8.230 nan 0.000 0.445 169 I N 6.558 127.125 120.570 -0.004 0.000 2.378 169 I HA 0.465 4.635 4.170 -0.000 0.000 0.291 169 I C -0.461 175.648 176.117 -0.013 0.000 0.992 169 I CA -0.247 61.050 61.300 -0.006 0.000 1.154 169 I CB 1.560 39.550 38.000 -0.017 0.000 1.315 169 I HN 0.560 nan 8.210 nan 0.000 0.448 170 I N 4.783 125.348 120.570 -0.008 0.000 2.656 170 I HA 0.839 5.009 4.170 -0.000 0.000 0.292 170 I C -0.481 175.571 176.117 -0.107 0.000 1.144 170 I CA 0.034 61.333 61.300 -0.001 0.000 1.038 170 I CB 2.048 40.105 38.000 0.095 0.000 1.244 170 I HN 0.733 nan 8.210 nan 0.000 0.420 171 G N 5.140 113.861 108.800 -0.131 0.000 2.322 171 G HA2 0.194 4.154 3.960 -0.000 0.000 0.295 171 G HA3 0.194 4.154 3.960 -0.000 0.000 0.295 171 G C -2.013 172.793 174.900 -0.156 0.000 1.369 171 G CA -0.764 44.174 45.100 -0.269 0.000 0.821 171 G HN 0.466 nan 8.290 nan 0.000 0.536 172 D N 0.511 120.805 120.400 -0.177 0.000 2.360 172 D HA 0.300 4.940 4.640 -0.000 0.000 0.242 172 D C 0.911 177.129 176.300 -0.136 0.000 1.184 172 D CA 0.005 53.941 54.000 -0.107 0.000 0.930 172 D CB 0.703 41.453 40.800 -0.084 0.000 1.161 172 D HN 0.607 nan 8.370 nan 0.000 0.447 173 R N 0.991 121.440 120.500 -0.084 0.000 2.583 173 R HA -0.021 4.318 4.340 -0.000 0.000 0.274 173 R C 0.089 176.298 176.300 -0.151 0.000 0.998 173 R CA -0.138 55.910 56.100 -0.086 0.000 1.081 173 R CB -0.040 30.240 30.300 -0.033 0.000 0.940 173 R HN 0.257 nan 8.270 nan 0.000 0.413 174 Q N -0.203 119.487 119.800 -0.184 0.000 2.493 174 Q HA -0.143 4.197 4.340 -0.000 0.000 0.278 174 Q C 0.167 175.737 176.000 -0.716 0.000 1.216 174 Q CA 1.772 57.405 55.803 -0.282 0.000 0.875 174 Q CB -2.003 26.656 28.738 -0.132 0.000 1.262 174 Q HN 1.030 nan 8.270 nan 0.000 0.468 175 T N -4.757 109.386 114.554 -0.683 0.000 3.085 175 T HA 0.469 4.819 4.350 -0.000 0.000 0.264 175 T C 1.085 175.419 174.700 -0.610 0.000 1.019 175 T CA 0.766 62.272 62.100 -0.989 0.000 0.910 175 T CB 0.983 69.505 68.868 -0.576 0.000 1.059 175 T HN 0.922 nan 8.240 nan 0.000 0.542 176 G N 1.726 110.313 108.800 -0.355 0.000 2.140 176 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.211 176 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.211 176 G C 0.684 175.536 174.900 -0.079 0.000 1.013 176 G CA 0.231 45.285 45.100 -0.077 0.000 0.705 176 G HN 0.490 nan 8.290 nan 0.000 0.508 177 K N -0.571 119.763 120.400 -0.110 0.000 2.001 177 K HA -0.058 4.262 4.320 -0.000 0.000 0.208 177 K C 2.634 179.220 176.600 -0.025 0.000 1.048 177 K CA 1.917 58.160 56.287 -0.073 0.000 0.932 177 K CB -0.254 32.198 32.500 -0.080 0.000 0.715 177 K HN 0.361 nan 8.250 nan 0.000 0.437 178 T N 1.135 115.689 114.554 0.000 0.000 2.737 178 T HA -0.106 4.244 4.350 -0.000 0.000 0.265 178 T C 1.995 176.718 174.700 0.039 0.000 1.038 178 T CA 1.246 63.381 62.100 0.058 0.000 1.144 178 T CB -0.310 68.619 68.868 0.102 0.000 0.866 178 T HN 0.306 nan 8.240 nan 0.000 0.434 179 A N 1.204 124.020 122.820 -0.006 0.000 1.997 179 A HA -0.135 4.185 4.320 -0.000 0.000 0.221 179 A C 2.550 180.106 177.584 -0.046 0.000 1.172 179 A CA 1.664 53.668 52.037 -0.056 0.000 0.645 179 A CB -1.187 17.743 19.000 -0.117 0.000 0.813 179 A HN 0.382 nan 8.150 nan 0.000 0.454 180 V N -0.465 119.435 119.914 -0.024 0.000 2.295 180 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 180 V C 3.044 179.143 176.094 0.008 0.000 1.049 180 V CA 1.986 64.278 62.300 -0.013 0.000 1.024 180 V CB -1.341 30.476 31.823 -0.010 0.000 0.648 180 V HN 0.637 nan 8.190 nan 0.000 0.447 181 A N -0.274 122.562 122.820 0.027 0.000 1.902 181 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 181 A C 2.178 179.804 177.584 0.071 0.000 1.181 181 A CA 2.072 54.142 52.037 0.054 0.000 0.623 181 A CB -0.611 18.436 19.000 0.080 0.000 0.818 181 A HN 0.428 nan 8.150 nan 0.000 0.443 182 L N 0.126 121.389 121.223 0.066 0.000 2.017 182 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 182 L C 1.707 178.598 176.870 0.036 0.000 1.073 182 L CA 2.536 57.407 54.840 0.050 0.000 0.745 182 L CB -0.658 41.423 42.059 0.037 0.000 0.894 182 L HN 0.349 nan 8.230 nan 0.000 0.432 183 D N -1.424 118.981 120.400 0.008 0.000 2.144 183 D HA -0.156 4.484 4.640 -0.000 0.000 0.199 183 D C 2.090 178.412 176.300 0.037 0.000 0.984 183 D CA 1.619 55.623 54.000 0.006 0.000 0.834 183 D CB -0.187 40.592 40.800 -0.035 0.000 0.955 183 D HN 0.359 nan 8.370 nan 0.000 0.465 184 T N 0.381 114.960 114.554 0.042 0.000 2.746 184 T HA -0.064 4.286 4.350 -0.000 0.000 0.267 184 T C 2.139 176.889 174.700 0.083 0.000 1.039 184 T CA 0.562 62.696 62.100 0.056 0.000 1.142 184 T CB -0.146 68.745 68.868 0.039 0.000 0.866 184 T HN 0.174 nan 8.240 nan 0.000 0.444 185 I N 0.566 121.193 120.570 0.096 0.000 2.252 185 I HA -0.104 4.066 4.170 -0.000 0.000 0.245 185 I C 2.189 178.432 176.117 0.211 0.000 1.102 185 I CA 1.121 62.512 61.300 0.152 0.000 1.385 185 I CB -0.325 37.756 38.000 0.135 0.000 1.064 185 I HN 0.190 nan 8.210 nan 0.000 0.414 186 L N 0.321 121.624 121.223 0.133 0.000 2.131 186 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 186 L C 2.098 179.051 176.870 0.138 0.000 1.092 186 L CA 1.439 56.356 54.840 0.128 0.000 0.759 186 L CB -0.646 41.432 42.059 0.033 0.000 0.903 186 L HN 0.302 nan 8.230 nan 0.000 0.435 187 N N -0.738 118.026 118.700 0.107 0.000 2.520 187 N HA -0.164 4.576 4.740 -0.000 0.000 0.185 187 N C 1.698 177.262 175.510 0.090 0.000 1.068 187 N CA 0.438 53.539 53.050 0.084 0.000 0.911 187 N CB 0.224 38.773 38.487 0.103 0.000 0.961 187 N HN 0.220 nan 8.380 nan 0.000 0.446 188 Q N 0.183 120.046 119.800 0.104 0.000 2.472 188 Q HA -0.000 4.340 4.340 -0.000 0.000 0.208 188 Q C 1.229 177.147 176.000 -0.136 0.000 0.958 188 Q CA 0.465 56.293 55.803 0.041 0.000 0.932 188 Q CB 0.071 28.707 28.738 -0.170 0.000 1.007 188 Q HN 0.449 nan 8.270 nan 0.000 0.508 189 K N 0.716 121.085 120.400 -0.052 0.000 2.228 189 K HA -0.175 4.145 4.320 -0.000 0.000 0.205 189 K C 1.993 178.476 176.600 -0.196 0.000 1.045 189 K CA 1.197 57.463 56.287 -0.034 0.000 0.931 189 K CB -0.077 32.452 32.500 0.048 0.000 0.727 189 K HN 0.188 nan 8.250 nan 0.000 0.458 190 R N -0.489 119.772 120.500 -0.398 0.000 2.096 190 R HA -0.120 4.220 4.340 -0.000 0.000 0.235 190 R C 1.864 177.682 176.300 -0.803 0.000 1.127 190 R CA 1.459 57.090 56.100 -0.783 0.000 0.968 190 R CB -0.074 29.338 30.300 -1.480 0.000 0.861 190 R HN 0.389 nan 8.270 nan 0.000 0.440 191 W N -0.413 120.808 121.300 -0.132 0.000 2.842 191 W HA 0.203 4.863 4.660 -0.000 0.000 0.267 191 W C 1.187 177.599 176.519 -0.178 0.000 1.219 191 W CA -0.505 56.758 57.345 -0.136 0.000 1.458 191 W CB -0.323 29.054 29.460 -0.138 0.000 1.006 191 W HN 0.065 nan 8.180 nan 0.000 0.603 192 N N 1.080 119.730 118.700 -0.084 0.000 2.453 192 N HA -0.112 4.628 4.740 -0.000 0.000 0.183 192 N C 1.063 176.530 175.510 -0.072 0.000 1.041 192 N CA 0.932 53.858 53.050 -0.207 0.000 0.900 192 N CB -0.387 37.774 38.487 -0.543 0.000 0.961 192 N HN 0.139 nan 8.380 nan 0.000 0.443 193 N N -0.151 118.513 118.700 -0.059 0.000 2.325 193 N HA 0.056 4.796 4.740 -0.000 0.000 0.182 193 N C 0.955 176.451 175.510 -0.023 0.000 1.088 193 N CA 0.083 53.117 53.050 -0.026 0.000 0.879 193 N CB 0.369 38.831 38.487 -0.042 0.000 0.983 193 N HN 0.111 nan 8.380 nan 0.000 0.471 194 G N -0.017 108.767 108.800 -0.026 0.000 2.621 194 G HA2 0.219 4.179 3.960 -0.000 0.000 0.271 194 G HA3 0.219 4.179 3.960 -0.000 0.000 0.271 194 G C 0.749 175.665 174.900 0.027 0.000 1.236 194 G CA -0.013 45.089 45.100 0.003 0.000 0.958 194 G HN 0.209 nan 8.290 nan 0.000 0.512 195 S N -1.581 114.141 115.700 0.037 0.000 2.559 195 S HA 0.082 4.552 4.470 -0.000 0.000 0.226 195 S C 0.373 175.007 174.600 0.056 0.000 1.000 195 S CA 0.009 58.237 58.200 0.048 0.000 0.948 195 S CB 0.285 63.510 63.200 0.041 0.000 0.870 195 S HN 0.453 nan 8.310 nan 0.000 0.497 196 D N 2.477 122.913 120.400 0.059 0.000 2.363 196 D HA 0.147 4.787 4.640 -0.000 0.000 0.263 196 D C 1.016 177.353 176.300 0.061 0.000 1.258 196 D CA 0.261 54.298 54.000 0.061 0.000 0.907 196 D CB 1.150 41.995 40.800 0.074 0.000 1.107 196 D HN 0.266 nan 8.370 nan 0.000 0.495 197 E N 1.887 122.123 120.200 0.059 0.000 2.031 197 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 197 E C 1.813 178.430 176.600 0.027 0.000 0.994 197 E CA 1.697 58.138 56.400 0.068 0.000 0.800 197 E CB -0.197 29.548 29.700 0.075 0.000 0.752 197 E HN 0.473 nan 8.360 nan 0.000 0.447 198 S N -0.348 115.357 115.700 0.010 0.000 2.493 198 S HA -0.131 4.339 4.470 -0.000 0.000 0.243 198 S C 1.600 176.227 174.600 0.045 0.000 0.991 198 S CA 1.048 59.245 58.200 -0.005 0.000 0.957 198 S CB -0.202 63.020 63.200 0.036 0.000 0.756 198 S HN 0.185 nan 8.310 nan 0.000 0.521 199 K N 0.722 121.129 120.400 0.012 0.000 2.284 199 K HA 0.188 4.508 4.320 -0.000 0.000 0.198 199 K C 0.243 176.793 176.600 -0.083 0.000 1.048 199 K CA 0.194 56.444 56.287 -0.060 0.000 0.987 199 K CB 0.140 32.629 32.500 -0.019 0.000 0.800 199 K HN 0.310 nan 8.250 nan 0.000 0.486 200 K N 1.669 122.031 120.400 -0.062 0.000 2.412 200 K HA 0.054 4.374 4.320 -0.000 0.000 0.281 200 K C -0.709 175.717 176.600 -0.290 0.000 1.027 200 K CA -0.109 56.040 56.287 -0.231 0.000 0.989 200 K CB 0.548 32.827 32.500 -0.368 0.000 0.935 200 K HN -0.091 nan 8.250 nan 0.000 0.475 201 L N 5.202 126.202 121.223 -0.372 0.000 2.295 201 L HA 0.282 4.622 4.340 -0.000 0.000 0.281 201 L C -1.369 175.246 176.870 -0.425 0.000 1.018 201 L CA -0.405 54.272 54.840 -0.272 0.000 0.841 201 L CB 0.300 42.255 42.059 -0.173 0.000 1.218 201 L HN 0.416 nan 8.230 nan 0.000 0.424 202 Y N 3.164 123.322 120.300 -0.236 0.000 2.309 202 Y HA 0.384 4.933 4.550 -0.000 0.000 0.327 202 Y C 0.427 176.211 175.900 -0.194 0.000 1.172 202 Y CA -0.141 57.779 58.100 -0.301 0.000 1.280 202 Y CB 0.866 38.848 38.460 -0.797 0.000 1.234 202 Y HN 0.466 nan 8.280 nan 0.000 0.512 203 C N 3.368 122.738 119.300 0.117 0.000 2.345 203 C HA 0.650 5.110 4.460 -0.000 0.000 0.323 203 C C -0.341 174.696 174.990 0.078 0.000 1.276 203 C CA -1.163 57.915 59.018 0.100 0.000 1.543 203 C CB 0.196 28.048 27.740 0.186 0.000 2.211 203 C HN 0.545 nan 8.230 nan 0.000 0.493 204 V N 3.713 123.646 119.914 0.032 0.000 2.398 204 V HA 0.332 4.452 4.120 -0.000 0.000 0.286 204 V C -0.766 175.335 176.094 0.011 0.000 1.026 204 V CA -0.597 61.718 62.300 0.025 0.000 0.868 204 V CB 1.121 32.937 31.823 -0.011 0.000 0.982 204 V HN 0.784 nan 8.190 nan 0.000 0.443 205 Y N 4.738 124.994 120.300 -0.074 0.000 2.331 205 Y HA 0.664 5.214 4.550 -0.000 0.000 0.338 205 Y C -0.365 175.480 175.900 -0.091 0.000 0.976 205 Y CA -0.712 57.333 58.100 -0.091 0.000 1.137 205 Y CB 1.705 40.134 38.460 -0.052 0.000 1.172 205 Y HN 0.433 nan 8.280 nan 0.000 0.478 206 V N 6.041 125.684 119.914 -0.452 0.000 2.394 206 V HA 0.697 4.816 4.120 -0.000 0.000 0.282 206 V C -0.125 175.779 176.094 -0.317 0.000 1.031 206 V CA -0.652 61.489 62.300 -0.266 0.000 0.881 206 V CB 0.938 32.624 31.823 -0.230 0.000 0.982 206 V HN 0.922 nan 8.190 nan 0.000 0.451 207 A N 5.286 128.100 122.820 -0.010 0.000 2.256 207 A HA 0.775 5.095 4.320 -0.000 0.000 0.317 207 A C -0.647 176.967 177.584 0.050 0.000 1.318 207 A CA -0.438 51.649 52.037 0.083 0.000 0.894 207 A CB 0.810 19.962 19.000 0.253 0.000 1.165 207 A HN 0.677 nan 8.150 nan 0.000 0.525 208 V N 2.240 122.171 119.914 0.028 0.000 2.448 208 V HA 0.654 4.774 4.120 -0.000 0.000 0.295 208 V C 1.244 177.372 176.094 0.058 0.000 1.025 208 V CA 0.469 62.796 62.300 0.045 0.000 0.859 208 V CB 0.864 32.708 31.823 0.035 0.000 0.988 208 V HN 1.791 nan 8.190 nan 0.000 0.431 209 G N 3.641 112.482 108.800 0.069 0.000 2.189 209 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.267 209 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.267 209 G C 0.315 175.253 174.900 0.063 0.000 0.975 209 G CA 0.519 45.661 45.100 0.069 0.000 0.644 209 G HN 0.663 nan 8.290 nan 0.000 0.537 210 Q N 0.633 120.473 119.800 0.067 0.000 2.454 210 Q HA 0.384 4.724 4.340 -0.000 0.000 0.247 210 Q C 0.816 176.852 176.000 0.060 0.000 1.028 210 Q CA 0.358 56.203 55.803 0.068 0.000 0.910 210 Q CB 0.471 29.264 28.738 0.092 0.000 1.276 210 Q HN 0.683 nan 8.270 nan 0.000 0.489 211 K N 0.967 121.398 120.400 0.052 0.000 2.185 211 K HA 0.207 4.527 4.320 -0.000 0.000 0.271 211 K C 0.407 177.032 176.600 0.041 0.000 1.013 211 K CA -0.562 55.751 56.287 0.043 0.000 0.943 211 K CB 1.222 33.744 32.500 0.037 0.000 0.998 211 K HN 0.436 nan 8.250 nan 0.000 0.468 212 R N 0.998 121.519 120.500 0.035 0.000 2.122 212 R HA -0.244 4.095 4.340 -0.000 0.000 0.236 212 R C 2.375 178.689 176.300 0.022 0.000 1.129 212 R CA 2.802 58.920 56.100 0.029 0.000 0.925 212 R CB -0.644 29.671 30.300 0.025 0.000 0.850 212 R HN 1.018 nan 8.270 nan 0.000 0.431 213 S N -0.414 115.298 115.700 0.020 0.000 2.399 213 S HA -0.273 4.197 4.470 -0.000 0.000 0.235 213 S C 1.913 176.521 174.600 0.013 0.000 1.063 213 S CA 2.231 60.440 58.200 0.015 0.000 1.070 213 S CB -1.089 62.121 63.200 0.017 0.000 0.904 213 S HN 0.423 nan 8.310 nan 0.000 0.456 214 T N 1.675 116.241 114.554 0.021 0.000 2.896 214 T HA 0.107 4.457 4.350 -0.000 0.000 0.263 214 T C 1.939 176.642 174.700 0.006 0.000 1.050 214 T CA 1.006 63.118 62.100 0.020 0.000 1.140 214 T CB -0.584 68.304 68.868 0.034 0.000 0.877 214 T HN 0.303 nan 8.240 nan 0.000 0.457 215 V N 1.956 121.880 119.914 0.016 0.000 2.407 215 V HA -0.157 3.963 4.120 -0.000 0.000 0.248 215 V C 2.947 179.021 176.094 -0.033 0.000 1.055 215 V CA 1.608 63.907 62.300 -0.001 0.000 1.049 215 V CB -1.232 30.614 31.823 0.039 0.000 0.662 215 V HN 0.552 nan 8.190 nan 0.000 0.455 216 A N -0.491 122.319 122.820 -0.017 0.000 1.898 216 A HA -0.282 4.038 4.320 -0.000 0.000 0.216 216 A C 2.186 179.748 177.584 -0.036 0.000 1.181 216 A CA 2.018 54.040 52.037 -0.024 0.000 0.620 216 A CB -0.513 18.480 19.000 -0.011 0.000 0.819 216 A HN 0.521 nan 8.150 nan 0.000 0.442 217 Q N -0.392 119.390 119.800 -0.029 0.000 2.124 217 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 217 Q C 1.878 177.847 176.000 -0.051 0.000 0.977 217 Q CA 1.716 57.502 55.803 -0.029 0.000 0.850 217 Q CB -0.448 28.285 28.738 -0.008 0.000 0.901 217 Q HN 0.651 nan 8.270 nan 0.000 0.429 218 L N -0.601 120.573 121.223 -0.082 0.000 2.056 218 L HA -0.102 4.238 4.340 -0.000 0.000 0.207 218 L C 2.216 178.998 176.870 -0.147 0.000 1.078 218 L CA 1.436 56.190 54.840 -0.143 0.000 0.749 218 L CB -0.334 41.560 42.059 -0.275 0.000 0.901 218 L HN 0.339 nan 8.230 nan 0.000 0.433 219 V N -1.717 118.120 119.914 -0.129 0.000 2.667 219 V HA -0.237 3.883 4.120 -0.000 0.000 0.252 219 V C 2.136 178.181 176.094 -0.081 0.000 1.065 219 V CA 1.790 64.025 62.300 -0.109 0.000 1.083 219 V CB -0.460 31.312 31.823 -0.086 0.000 0.692 219 V HN 0.646 nan 8.190 nan 0.000 0.468 220 Q N -0.087 119.672 119.800 -0.067 0.000 2.167 220 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 220 Q C 2.141 178.109 176.000 -0.053 0.000 0.970 220 Q CA 2.112 57.881 55.803 -0.056 0.000 0.855 220 Q CB -0.052 28.658 28.738 -0.047 0.000 0.911 220 Q HN 0.771 nan 8.270 nan 0.000 0.438 221 T N 0.967 115.490 114.554 -0.051 0.000 2.851 221 T HA 0.010 4.360 4.350 -0.000 0.000 0.262 221 T C 1.859 176.569 174.700 0.016 0.000 1.043 221 T CA 0.464 62.553 62.100 -0.018 0.000 1.140 221 T CB -0.045 68.787 68.868 -0.059 0.000 0.872 221 T HN 0.211 nan 8.240 nan 0.000 0.446 222 L N 0.619 121.808 121.223 -0.056 0.000 2.131 222 L HA -0.071 4.269 4.340 -0.000 0.000 0.210 222 L C 2.634 179.458 176.870 -0.077 0.000 1.092 222 L CA 1.295 56.087 54.840 -0.080 0.000 0.759 222 L CB -0.402 41.576 42.059 -0.136 0.000 0.903 222 L HN 0.298 nan 8.230 nan 0.000 0.435 223 E N -0.352 119.806 120.200 -0.070 0.000 2.051 223 E HA -0.202 4.148 4.350 -0.000 0.000 0.189 223 E C 2.262 178.820 176.600 -0.070 0.000 0.979 223 E CA 0.809 57.164 56.400 -0.074 0.000 0.803 223 E CB 0.073 29.732 29.700 -0.069 0.000 0.761 223 E HN 0.426 nan 8.360 nan 0.000 0.451 224 Q N -0.467 119.288 119.800 -0.074 0.000 2.224 224 Q HA -0.112 4.228 4.340 -0.000 0.000 0.203 224 Q C 1.226 177.089 176.000 -0.228 0.000 0.970 224 Q CA 0.863 56.576 55.803 -0.150 0.000 0.865 224 Q CB 0.138 28.763 28.738 -0.189 0.000 0.922 224 Q HN 0.423 nan 8.270 nan 0.000 0.445 225 H N -0.440 118.566 119.070 -0.107 0.000 2.524 225 H HA 0.014 4.570 4.556 -0.000 0.000 0.280 225 H C -0.120 175.167 175.328 -0.068 0.000 1.018 225 H CA 0.271 56.269 56.048 -0.082 0.000 1.165 225 H CB 0.457 30.173 29.762 -0.077 0.000 1.411 225 H HN 0.228 nan 8.280 nan 0.000 0.569 226 D N 0.427 120.820 120.400 -0.010 0.000 2.772 226 D HA -0.193 4.447 4.640 -0.000 0.000 0.233 226 D C 1.012 177.255 176.300 -0.095 0.000 1.143 226 D CA 0.688 54.662 54.000 -0.044 0.000 0.700 226 D CB -1.053 39.738 40.800 -0.015 0.000 1.076 226 D HN 0.518 nan 8.370 nan 0.000 0.430 227 A N -0.886 121.817 122.820 -0.195 0.000 2.252 227 A HA 0.171 4.491 4.320 -0.000 0.000 0.213 227 A C 1.895 178.966 177.584 -0.855 0.000 1.188 227 A CA 0.920 52.609 52.037 -0.579 0.000 0.863 227 A CB -0.078 18.770 19.000 -0.252 0.000 0.893 227 A HN 0.298 nan 8.150 nan 0.000 0.495 228 M N 1.596 120.952 119.600 -0.407 0.000 2.117 228 M HA -0.156 4.324 4.480 -0.000 0.000 0.262 228 M C 1.926 178.069 176.300 -0.262 0.000 1.065 228 M CA 2.166 57.294 55.300 -0.286 0.000 1.114 228 M CB -0.586 31.920 32.600 -0.156 0.000 1.361 228 M HN 0.482 nan 8.290 nan 0.000 0.408 229 K N -0.552 119.712 120.400 -0.226 0.000 2.360 229 K HA -0.191 4.129 4.320 -0.000 0.000 0.201 229 K C 0.637 177.260 176.600 0.038 0.000 1.046 229 K CA 1.822 58.068 56.287 -0.069 0.000 0.940 229 K CB -0.885 31.615 32.500 0.001 0.000 0.748 229 K HN 0.655 nan 8.250 nan 0.000 0.465 230 Y N -1.088 119.251 120.300 0.064 0.000 2.682 230 Y HA 0.505 5.055 4.550 -0.000 0.000 0.251 230 Y C -0.549 175.410 175.900 0.098 0.000 1.172 230 Y CA -1.300 56.869 58.100 0.116 0.000 1.186 230 Y CB 0.227 38.715 38.460 0.046 0.000 1.216 230 Y HN -0.122 nan 8.280 nan 0.000 0.540 231 S N 1.288 116.993 115.700 0.007 0.000 2.513 231 S HA 0.706 5.176 4.470 -0.000 0.000 0.299 231 S C -0.779 173.844 174.600 0.038 0.000 1.087 231 S CA -0.592 57.628 58.200 0.034 0.000 1.012 231 S CB 1.891 65.038 63.200 -0.088 0.000 1.044 231 S HN 0.243 nan 8.310 nan 0.000 0.485 232 I N 2.893 123.505 120.570 0.069 0.000 2.404 232 I HA 0.402 4.572 4.170 -0.000 0.000 0.293 232 I C -0.921 175.237 176.117 0.067 0.000 0.992 232 I CA -0.675 60.663 61.300 0.064 0.000 1.149 232 I CB 1.231 39.286 38.000 0.092 0.000 1.315 232 I HN 0.373 nan 8.210 nan 0.000 0.446 233 I N 7.124 127.726 120.570 0.053 0.000 2.354 233 I HA 0.384 4.554 4.170 -0.000 0.000 0.292 233 I C -0.135 176.022 176.117 0.065 0.000 0.989 233 I CA -0.753 60.596 61.300 0.082 0.000 1.188 233 I CB 1.453 39.483 38.000 0.050 0.000 1.342 233 I HN 0.125 nan 8.210 nan 0.000 0.457 234 V N 5.111 125.070 119.914 0.074 0.000 2.448 234 V HA 0.812 4.932 4.120 -0.000 0.000 0.295 234 V C 0.171 176.299 176.094 0.056 0.000 1.025 234 V CA -0.688 61.638 62.300 0.044 0.000 0.859 234 V CB 1.569 33.403 31.823 0.019 0.000 0.988 234 V HN 0.872 nan 8.190 nan 0.000 0.431 235 A N 3.737 126.586 122.820 0.047 0.000 2.357 235 A HA 0.859 5.179 4.320 -0.000 0.000 0.295 235 A C -0.104 177.509 177.584 0.048 0.000 1.121 235 A CA -0.293 51.779 52.037 0.058 0.000 0.742 235 A CB 1.359 20.397 19.000 0.063 0.000 1.181 235 A HN 1.356 nan 8.150 nan 0.000 0.454 236 A N 3.184 126.037 122.820 0.055 0.000 2.540 236 A HA 0.622 4.942 4.320 -0.000 0.000 0.340 236 A C 0.522 178.147 177.584 0.069 0.000 1.424 236 A CA -0.268 51.808 52.037 0.065 0.000 0.940 236 A CB -0.465 18.581 19.000 0.076 0.000 1.149 236 A HN 0.754 nan 8.150 nan 0.000 0.505 237 T N 1.434 116.026 114.554 0.064 0.000 2.855 237 T HA 0.287 4.637 4.350 -0.000 0.000 0.314 237 T C 1.783 176.520 174.700 0.063 0.000 1.077 237 T CA 0.385 62.521 62.100 0.060 0.000 1.095 237 T CB 0.969 69.867 68.868 0.050 0.000 0.987 237 T HN 0.883 nan 8.240 nan 0.000 0.546 238 A N 1.284 124.138 122.820 0.057 0.000 2.186 238 A HA -0.063 4.257 4.320 -0.000 0.000 0.219 238 A C 2.276 179.891 177.584 0.052 0.000 1.159 238 A CA 1.615 53.685 52.037 0.055 0.000 0.680 238 A CB -0.670 18.359 19.000 0.049 0.000 0.787 238 A HN 0.811 nan 8.150 nan 0.000 0.467 239 S N -0.975 114.755 115.700 0.050 0.000 2.523 239 S HA 0.147 4.617 4.470 -0.000 0.000 0.217 239 S C 0.280 174.912 174.600 0.053 0.000 0.996 239 S CA -0.387 57.840 58.200 0.046 0.000 0.921 239 S CB -0.032 63.191 63.200 0.037 0.000 0.829 239 S HN 0.574 nan 8.310 nan 0.000 0.495 240 E N 1.785 122.024 120.200 0.065 0.000 2.373 240 E HA 0.519 4.869 4.350 -0.000 0.000 0.263 240 E C 0.150 176.808 176.600 0.096 0.000 1.073 240 E CA -0.245 56.202 56.400 0.079 0.000 0.894 240 E CB 0.783 30.534 29.700 0.085 0.000 1.008 240 E HN 0.467 nan 8.360 nan 0.000 0.420 241 A N 1.669 124.557 122.820 0.113 0.000 2.587 241 A HA 0.082 4.402 4.320 -0.000 0.000 0.235 241 A C 1.381 179.054 177.584 0.149 0.000 1.044 241 A CA 0.747 52.856 52.037 0.121 0.000 0.754 241 A CB 0.087 19.175 19.000 0.147 0.000 0.968 241 A HN 0.813 nan 8.150 nan 0.000 0.509 242 A N 4.260 127.154 122.820 0.122 0.000 1.903 242 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 242 A C -0.048 177.673 177.584 0.228 0.000 1.191 242 A CA 2.225 54.349 52.037 0.145 0.000 0.638 242 A CB -1.735 17.323 19.000 0.098 0.000 0.823 242 A HN 0.661 nan 8.150 nan 0.000 0.451 243 P HA -0.109 nan 4.420 nan 0.000 0.219 243 P C 1.355 178.954 177.300 0.499 0.000 1.146 243 P CA 0.814 64.147 63.100 0.390 0.000 0.808 243 P CB -0.122 31.736 31.700 0.263 0.000 0.779 244 L N -1.121 120.334 121.223 0.387 0.000 2.179 244 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 244 L C 2.517 179.508 176.870 0.201 0.000 1.096 244 L CA 1.293 56.305 54.840 0.285 0.000 0.779 244 L CB -0.673 41.517 42.059 0.218 0.000 0.922 244 L HN 0.006 nan 8.230 nan 0.000 0.443 245 Q N -1.144 118.783 119.800 0.211 0.000 2.172 245 Q HA -0.225 4.115 4.340 -0.000 0.000 0.200 245 Q C 2.021 178.142 176.000 0.202 0.000 0.964 245 Q CA 1.464 57.370 55.803 0.171 0.000 0.855 245 Q CB -0.159 28.675 28.738 0.160 0.000 0.918 245 Q HN 0.492 nan 8.270 nan 0.000 0.444 246 Y N 0.891 121.285 120.300 0.156 0.000 2.200 246 Y HA -0.205 4.345 4.550 -0.000 0.000 0.290 246 Y C 1.816 177.843 175.900 0.212 0.000 1.137 246 Y CA 1.039 59.242 58.100 0.172 0.000 1.163 246 Y CB -0.170 38.426 38.460 0.227 0.000 0.988 246 Y HN 0.062 nan 8.280 nan 0.000 0.518 247 L N 0.507 121.738 121.223 0.012 0.000 2.240 247 L HA 0.125 4.465 4.340 -0.000 0.000 0.211 247 L C 2.478 179.355 176.870 0.012 0.000 1.106 247 L CA 1.513 56.320 54.840 -0.055 0.000 0.793 247 L CB -1.167 40.943 42.059 0.084 0.000 0.927 247 L HN 0.327 nan 8.230 nan 0.000 0.446 248 A N 0.658 123.483 122.820 0.008 0.000 1.859 248 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 248 A C -0.024 177.547 177.584 -0.021 0.000 1.198 248 A CA 2.088 54.126 52.037 0.002 0.000 0.629 248 A CB -2.096 16.914 19.000 0.017 0.000 0.830 248 A HN 0.380 nan 8.150 nan 0.000 0.446 249 P HA -0.122 nan 4.420 nan 0.000 0.219 249 P C 0.875 178.109 177.300 -0.110 0.000 1.146 249 P CA 1.022 64.085 63.100 -0.062 0.000 0.808 249 P CB -0.137 31.368 31.700 -0.324 0.000 0.779 250 F N -0.030 119.891 119.950 -0.047 0.000 2.118 250 F HA -0.116 4.411 4.527 -0.000 0.000 0.293 250 F C 2.510 178.292 175.800 -0.030 0.000 1.102 250 F CA 1.863 59.818 58.000 -0.076 0.000 1.247 250 F CB -2.071 36.814 39.000 -0.193 0.000 1.017 250 F HN -0.071 nan 8.300 nan 0.000 0.475 251 T N -1.573 113.070 114.554 0.148 0.000 2.849 251 T HA -0.152 4.198 4.350 -0.000 0.000 0.270 251 T C 2.033 176.775 174.700 0.069 0.000 1.066 251 T CA 1.085 63.230 62.100 0.076 0.000 1.130 251 T CB -0.824 68.059 68.868 0.025 0.000 0.864 251 T HN 0.206 nan 8.240 nan 0.000 0.481 252 A N 1.338 124.198 122.820 0.065 0.000 2.016 252 A HA 0.580 4.900 4.320 -0.000 0.000 0.217 252 A C 2.726 180.352 177.584 0.070 0.000 1.162 252 A CA 1.162 53.227 52.037 0.045 0.000 0.662 252 A CB -1.052 17.945 19.000 -0.006 0.000 0.812 252 A HN 0.676 nan 8.150 nan 0.000 0.450 253 A N -0.388 122.505 122.820 0.121 0.000 1.930 253 A HA -0.022 4.298 4.320 -0.000 0.000 0.217 253 A C 2.403 180.068 177.584 0.135 0.000 1.175 253 A CA 1.935 54.062 52.037 0.150 0.000 0.627 253 A CB -0.646 18.475 19.000 0.201 0.000 0.815 253 A HN 0.422 nan 8.150 nan 0.000 0.443 254 S N -0.121 115.652 115.700 0.122 0.000 2.345 254 S HA -0.083 4.387 4.470 -0.000 0.000 0.220 254 S C 1.807 176.484 174.600 0.129 0.000 1.031 254 S CA 1.274 59.539 58.200 0.109 0.000 0.996 254 S CB -0.499 62.750 63.200 0.082 0.000 0.882 254 S HN 0.524 nan 8.310 nan 0.000 0.445 255 I N 1.730 122.370 120.570 0.116 0.000 2.143 255 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 255 I C 2.643 178.913 176.117 0.255 0.000 1.068 255 I CA 1.460 62.841 61.300 0.135 0.000 1.326 255 I CB -0.814 37.249 38.000 0.106 0.000 1.028 255 I HN 0.403 nan 8.210 nan 0.000 0.412 256 G N -0.266 108.680 108.800 0.244 0.000 2.422 256 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.218 256 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.218 256 G C 1.508 176.620 174.900 0.353 0.000 1.146 256 G CA 0.620 45.912 45.100 0.320 0.000 0.769 256 G HN 0.440 nan 8.290 nan 0.000 0.547 257 E N -0.810 119.525 120.200 0.224 0.000 2.204 257 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 257 E C 1.906 178.574 176.600 0.112 0.000 0.989 257 E CA 0.372 56.863 56.400 0.151 0.000 0.824 257 E CB -0.183 29.576 29.700 0.098 0.000 0.756 257 E HN 0.679 nan 8.360 nan 0.000 0.477 258 W N 0.622 121.893 121.300 -0.049 0.000 2.318 258 W HA -0.260 4.400 4.660 -0.000 0.000 0.313 258 W C 1.452 177.818 176.519 -0.256 0.000 1.221 258 W CA 1.719 58.929 57.345 -0.225 0.000 1.266 258 W CB -0.313 28.894 29.460 -0.423 0.000 1.150 258 W HN 0.002 nan 8.180 nan 0.000 0.496 259 F N 0.082 120.156 119.950 0.207 0.000 2.113 259 F HA -0.113 4.414 4.527 -0.000 0.000 0.297 259 F C 2.730 178.459 175.800 -0.120 0.000 1.103 259 F CA 2.031 60.053 58.000 0.037 0.000 1.248 259 F CB -1.316 37.784 39.000 0.166 0.000 0.999 259 F HN -0.204 nan 8.300 nan 0.000 0.475 260 R N 0.726 121.316 120.500 0.151 0.000 2.091 260 R HA -0.183 4.157 4.340 -0.000 0.000 0.238 260 R C 1.449 177.716 176.300 -0.054 0.000 1.136 260 R CA 2.066 58.210 56.100 0.074 0.000 0.959 260 R CB -0.509 29.848 30.300 0.096 0.000 0.856 260 R HN 0.173 nan 8.270 nan 0.000 0.437 261 D N 0.139 120.446 120.400 -0.154 0.000 2.312 261 D HA -0.058 4.582 4.640 -0.000 0.000 0.211 261 D C 0.281 176.394 176.300 -0.310 0.000 0.964 261 D CA 0.792 54.663 54.000 -0.214 0.000 0.877 261 D CB 0.009 40.669 40.800 -0.234 0.000 0.924 261 D HN 0.277 nan 8.370 nan 0.000 0.515 262 N N -0.723 117.715 118.700 -0.436 0.000 2.351 262 N HA 0.193 4.933 4.740 -0.000 0.000 0.254 262 N C 0.961 176.298 175.510 -0.289 0.000 1.241 262 N CA 0.303 53.069 53.050 -0.474 0.000 0.883 262 N CB 1.661 39.586 38.487 -0.937 0.000 1.202 262 N HN 0.096 nan 8.380 nan 0.000 0.512 263 G N 0.902 109.593 108.800 -0.180 0.000 2.176 263 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.253 263 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.253 263 G C 0.225 175.007 174.900 -0.197 0.000 0.979 263 G CA 0.391 45.415 45.100 -0.126 0.000 0.641 263 G HN 0.328 nan 8.290 nan 0.000 0.530 264 K N 0.016 120.323 120.400 -0.156 0.000 2.210 264 K HA 0.728 5.048 4.320 -0.000 0.000 0.236 264 K C -0.323 176.189 176.600 -0.146 0.000 1.016 264 K CA -0.856 55.339 56.287 -0.155 0.000 0.913 264 K CB 0.673 33.304 32.500 0.219 0.000 1.141 264 K HN 0.290 nan 8.250 nan 0.000 0.462 265 H N -0.140 119.049 119.070 0.198 0.000 2.646 265 H HA 0.473 5.029 4.556 -0.000 0.000 0.328 265 H C -1.049 174.321 175.328 0.069 0.000 0.998 265 H CA -0.952 55.150 56.048 0.090 0.000 1.225 265 H CB 1.438 31.189 29.762 -0.018 0.000 1.457 265 H HN 0.645 nan 8.280 nan 0.000 0.505 266 A N 3.383 126.308 122.820 0.175 0.000 2.324 266 A HA 0.512 4.832 4.320 -0.000 0.000 0.330 266 A C -0.706 176.894 177.584 0.027 0.000 1.165 266 A CA -0.685 51.383 52.037 0.051 0.000 0.813 266 A CB 1.097 20.139 19.000 0.070 0.000 1.197 266 A HN 0.496 nan 8.150 nan 0.000 0.484 267 L N 2.954 124.170 121.223 -0.011 0.000 2.296 267 L HA 0.701 5.041 4.340 -0.000 0.000 0.286 267 L C -0.713 176.126 176.870 -0.051 0.000 1.023 267 L CA -0.334 54.491 54.840 -0.026 0.000 0.812 267 L CB 0.996 43.041 42.059 -0.023 0.000 1.223 267 L HN 0.654 nan 8.230 nan 0.000 0.421 268 I N 5.487 125.993 120.570 -0.108 0.000 2.406 268 I HA 0.539 4.709 4.170 -0.000 0.000 0.290 268 I C -1.264 174.625 176.117 -0.381 0.000 0.999 268 I CA -0.681 60.461 61.300 -0.265 0.000 1.124 268 I CB 1.707 39.495 38.000 -0.354 0.000 1.289 268 I HN 0.372 nan 8.210 nan 0.000 0.441 269 V N 8.052 127.715 119.914 -0.419 0.000 2.384 269 V HA 0.344 4.464 4.120 -0.000 0.000 0.287 269 V C -1.064 174.654 176.094 -0.628 0.000 1.020 269 V CA -0.445 61.610 62.300 -0.408 0.000 0.850 269 V CB 1.318 33.003 31.823 -0.230 0.000 0.987 269 V HN 0.491 nan 8.190 nan 0.000 0.436 270 Y N 2.511 122.642 120.300 -0.282 0.000 2.353 270 Y HA 0.523 5.073 4.550 -0.000 0.000 0.340 270 Y C 0.257 175.976 175.900 -0.302 0.000 0.972 270 Y CA -0.678 57.242 58.100 -0.300 0.000 1.157 270 Y CB 1.097 39.403 38.460 -0.257 0.000 1.157 270 Y HN 0.491 nan 8.280 nan 0.000 0.495 271 D N 3.699 123.964 120.400 -0.224 0.000 2.375 271 D HA 0.186 4.826 4.640 -0.000 0.000 0.259 271 D C -1.539 174.722 176.300 -0.065 0.000 1.235 271 D CA -0.415 53.481 54.000 -0.174 0.000 0.924 271 D CB 0.540 41.160 40.800 -0.299 0.000 1.143 271 D HN 0.730 nan 8.370 nan 0.000 0.529 272 D N 0.109 120.495 120.400 -0.023 0.000 2.581 272 D HA 0.233 4.873 4.640 -0.000 0.000 0.232 272 D C 1.092 177.375 176.300 -0.029 0.000 1.143 272 D CA -0.734 53.245 54.000 -0.034 0.000 0.881 272 D CB 1.291 42.077 40.800 -0.022 0.000 1.500 272 D HN 0.029 nan 8.370 nan 0.000 0.458 273 L N 0.497 121.663 121.223 -0.094 0.000 2.362 273 L HA -0.096 4.244 4.340 -0.000 0.000 0.219 273 L C 1.743 178.654 176.870 0.068 0.000 1.134 273 L CA 0.825 55.595 54.840 -0.116 0.000 0.807 273 L CB -0.490 41.226 42.059 -0.571 0.000 0.927 273 L HN 0.430 nan 8.230 nan 0.000 0.447 274 S N 0.254 115.978 115.700 0.040 0.000 2.348 274 S HA -0.196 4.274 4.470 -0.000 0.000 0.221 274 S C 1.900 176.572 174.600 0.121 0.000 1.033 274 S CA 1.248 59.502 58.200 0.091 0.000 1.010 274 S CB -0.189 63.048 63.200 0.061 0.000 0.891 274 S HN 0.358 nan 8.310 nan 0.000 0.442 275 K N 1.145 121.601 120.400 0.094 0.000 2.209 275 K HA -0.081 4.239 4.320 -0.000 0.000 0.204 275 K C 2.440 179.121 176.600 0.135 0.000 1.048 275 K CA 0.907 57.257 56.287 0.106 0.000 0.940 275 K CB -0.107 32.440 32.500 0.079 0.000 0.729 275 K HN 0.368 nan 8.250 nan 0.000 0.451 276 Q N 0.396 120.277 119.800 0.135 0.000 2.083 276 Q HA -0.124 4.216 4.340 -0.000 0.000 0.198 276 Q C 2.086 178.226 176.000 0.234 0.000 0.969 276 Q CA 1.325 57.229 55.803 0.169 0.000 0.838 276 Q CB -0.073 28.731 28.738 0.110 0.000 0.900 276 Q HN 0.331 nan 8.270 nan 0.000 0.436 277 A N 0.311 123.260 122.820 0.214 0.000 1.917 277 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 277 A C 2.229 180.060 177.584 0.412 0.000 1.182 277 A CA 1.872 54.045 52.037 0.228 0.000 0.633 277 A CB -0.928 18.121 19.000 0.081 0.000 0.819 277 A HN 0.305 nan 8.150 nan 0.000 0.448 278 V N -0.180 119.926 119.914 0.320 0.000 2.233 278 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 278 V C 3.064 179.271 176.094 0.190 0.000 1.050 278 V CA 2.111 64.554 62.300 0.239 0.000 1.010 278 V CB -1.490 30.427 31.823 0.158 0.000 0.637 278 V HN 0.637 nan 8.190 nan 0.000 0.444 279 A N -1.128 121.812 122.820 0.201 0.000 1.986 279 A HA -0.300 4.020 4.320 -0.000 0.000 0.220 279 A C 2.185 179.906 177.584 0.229 0.000 1.171 279 A CA 2.355 54.510 52.037 0.196 0.000 0.640 279 A CB -0.769 18.365 19.000 0.224 0.000 0.811 279 A HN 0.665 nan 8.150 nan 0.000 0.451 280 Y N 0.056 120.433 120.300 0.128 0.000 2.220 280 Y HA -0.071 4.479 4.550 -0.000 0.000 0.291 280 Y C 2.436 178.364 175.900 0.048 0.000 1.129 280 Y CA 1.504 59.638 58.100 0.057 0.000 1.161 280 Y CB -0.543 37.989 38.460 0.119 0.000 0.997 280 Y HN 0.348 nan 8.280 nan 0.000 0.522 281 R N 0.288 120.812 120.500 0.040 0.000 2.080 281 R HA -0.278 4.062 4.340 -0.000 0.000 0.236 281 R C 2.465 178.671 176.300 -0.157 0.000 1.137 281 R CA 2.168 58.189 56.100 -0.131 0.000 0.943 281 R CB -0.479 29.657 30.300 -0.274 0.000 0.846 281 R HN 0.541 nan 8.270 nan 0.000 0.431 282 Q N 0.572 120.327 119.800 -0.076 0.000 2.014 282 Q HA -0.241 4.099 4.340 -0.000 0.000 0.207 282 Q C 2.205 178.160 176.000 -0.075 0.000 0.993 282 Q CA 2.146 57.913 55.803 -0.060 0.000 0.850 282 Q CB -0.307 28.426 28.738 -0.007 0.000 0.916 282 Q HN 0.480 nan 8.270 nan 0.000 0.417 283 L N 0.446 121.629 121.223 -0.066 0.000 1.980 283 L HA -0.354 3.986 4.340 -0.000 0.000 0.232 283 L C 2.660 179.450 176.870 -0.134 0.000 1.092 283 L CA 2.512 57.298 54.840 -0.090 0.000 0.808 283 L CB -0.663 41.333 42.059 -0.105 0.000 0.908 283 L HN 0.528 nan 8.230 nan 0.000 0.442 284 S N -0.529 115.036 115.700 -0.225 0.000 2.374 284 S HA -0.279 4.191 4.470 -0.000 0.000 0.227 284 S C 1.943 176.460 174.600 -0.138 0.000 1.037 284 S CA 1.839 59.913 58.200 -0.210 0.000 1.024 284 S CB -1.123 61.871 63.200 -0.344 0.000 0.861 284 S HN 0.459 nan 8.310 nan 0.000 0.456 285 L N 0.648 121.788 121.223 -0.138 0.000 2.079 285 L HA -0.087 4.253 4.340 -0.000 0.000 0.210 285 L C 2.633 179.460 176.870 -0.073 0.000 1.081 285 L CA 1.316 56.096 54.840 -0.100 0.000 0.752 285 L CB -0.534 41.462 42.059 -0.104 0.000 0.896 285 L HN 0.326 nan 8.230 nan 0.000 0.433 286 L N -1.045 120.136 121.223 -0.070 0.000 2.072 286 L HA -0.182 4.158 4.340 -0.000 0.000 0.205 286 L C 2.262 179.106 176.870 -0.043 0.000 1.079 286 L CA 0.850 55.660 54.840 -0.050 0.000 0.752 286 L CB -0.310 41.721 42.059 -0.046 0.000 0.906 286 L HN 0.222 nan 8.230 nan 0.000 0.436 287 L N -0.486 120.708 121.223 -0.048 0.000 2.549 287 L HA -0.088 4.252 4.340 -0.000 0.000 0.229 287 L C 0.787 177.639 176.870 -0.029 0.000 1.158 287 L CA 0.513 55.332 54.840 -0.035 0.000 0.842 287 L CB -0.333 41.704 42.059 -0.037 0.000 0.952 287 L HN 0.284 nan 8.230 nan 0.000 0.452 288 R N -0.744 119.734 120.500 -0.037 0.000 3.654 288 R HA -0.135 4.205 4.340 -0.000 0.000 0.302 288 R C 0.091 176.373 176.300 -0.030 0.000 1.166 288 R CA 0.250 56.331 56.100 -0.032 0.000 0.810 288 R CB -1.756 28.531 30.300 -0.021 0.000 1.323 288 R HN 0.301 nan 8.270 nan 0.000 0.478 289 R N 1.640 122.116 120.500 -0.041 0.000 2.370 289 R HA 0.104 4.444 4.340 -0.000 0.000 0.309 289 R C -2.069 174.208 176.300 -0.037 0.000 1.059 289 R CA -1.483 54.595 56.100 -0.036 0.000 0.981 289 R CB 0.428 30.698 30.300 -0.050 0.000 0.972 289 R HN -0.110 nan 8.270 nan 0.000 0.437 290 P HA -0.009 nan 4.420 nan 0.000 0.261 290 P C -2.243 175.047 177.300 -0.017 0.000 1.183 290 P CA -0.627 62.462 63.100 -0.017 0.000 0.761 290 P CB 0.140 31.837 31.700 -0.006 0.000 0.785 291 P HA 0.328 nan 4.420 nan 0.000 0.286 291 P C 0.417 177.727 177.300 0.016 0.000 1.293 291 P CA -0.189 62.902 63.100 -0.015 0.000 0.770 291 P CB 0.677 32.356 31.700 -0.036 0.000 1.206 292 G N -1.208 107.622 108.800 0.050 0.000 3.253 292 G HA2 0.289 4.249 3.960 -0.000 0.000 0.175 292 G HA3 0.289 4.249 3.960 -0.000 0.000 0.175 292 G C -0.842 174.093 174.900 0.059 0.000 1.098 292 G CA -0.622 44.513 45.100 0.060 0.000 0.790 292 G HN 0.464 nan 8.290 nan 0.000 0.648 293 R N 1.193 121.719 120.500 0.042 0.000 2.473 293 R HA 0.095 4.435 4.340 -0.000 0.000 0.315 293 R C -0.262 176.149 176.300 0.184 0.000 0.972 293 R CA 0.925 57.008 56.100 -0.027 0.000 1.047 293 R CB -0.490 29.582 30.300 -0.380 0.000 0.932 293 R HN 0.671 nan 8.270 nan 0.000 0.411 294 E N 2.821 123.087 120.200 0.110 0.000 2.416 294 E HA -0.299 4.051 4.350 -0.000 0.000 0.249 294 E C 0.344 176.884 176.600 -0.100 0.000 1.124 294 E CA 0.467 56.928 56.400 0.102 0.000 0.732 294 E CB -1.337 28.549 29.700 0.310 0.000 1.286 294 E HN 0.901 nan 8.360 nan 0.000 0.394 295 A N -2.009 120.766 122.820 -0.075 0.000 3.100 295 A HA -0.336 3.984 4.320 -0.000 0.000 0.268 295 A C 0.208 177.678 177.584 -0.189 0.000 1.227 295 A CA 1.930 53.880 52.037 -0.145 0.000 0.967 295 A CB -2.083 16.805 19.000 -0.186 0.000 1.066 295 A HN 0.518 nan 8.150 nan 0.000 0.787 296 Y N -0.015 120.305 120.300 0.034 0.000 2.379 296 Y HA 0.401 4.951 4.550 -0.000 0.000 0.337 296 Y C -1.538 174.344 175.900 -0.030 0.000 1.238 296 Y CA -1.388 56.719 58.100 0.012 0.000 1.405 296 Y CB 0.227 38.774 38.460 0.145 0.000 1.310 296 Y HN 0.163 nan 8.280 nan 0.000 0.569 297 P HA -0.028 nan 4.420 nan 0.000 0.269 297 P C 0.720 178.112 177.300 0.154 0.000 1.209 297 P CA 0.337 63.433 63.100 -0.006 0.000 0.776 297 P CB 0.671 32.239 31.700 -0.221 0.000 0.876 298 G N 2.167 111.050 108.800 0.137 0.000 2.532 298 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.222 298 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.222 298 G C 0.290 175.326 174.900 0.227 0.000 1.102 298 G CA 0.718 45.919 45.100 0.169 0.000 0.742 298 G HN 0.641 nan 8.290 nan 0.000 0.577 299 D N -0.188 120.368 120.400 0.259 0.000 3.123 299 D HA 0.225 4.865 4.640 -0.000 0.000 0.305 299 D C 0.961 177.474 176.300 0.353 0.000 1.373 299 D CA -0.720 53.472 54.000 0.321 0.000 0.889 299 D CB 0.543 41.547 40.800 0.341 0.000 1.070 299 D HN 0.028 nan 8.370 nan 0.000 0.494 300 V N -0.078 119.990 119.914 0.258 0.000 3.406 300 V HA 0.030 4.150 4.120 -0.000 0.000 0.263 300 V C 1.275 177.324 176.094 -0.075 0.000 1.172 300 V CA 0.544 62.891 62.300 0.078 0.000 1.140 300 V CB -0.608 31.128 31.823 -0.145 0.000 0.784 300 V HN 0.351 nan 8.190 nan 0.000 0.467 301 F N -0.316 119.602 119.950 -0.054 0.000 2.270 301 F HA -0.067 4.460 4.527 -0.000 0.000 0.295 301 F C 1.919 177.763 175.800 0.073 0.000 1.087 301 F CA 1.397 59.382 58.000 -0.025 0.000 1.365 301 F CB -0.317 38.707 39.000 0.041 0.000 1.056 301 F HN 0.291 nan 8.300 nan 0.000 0.506 302 Y N 0.631 120.892 120.300 -0.066 0.000 2.616 302 Y HA -0.015 4.535 4.550 -0.000 0.000 0.296 302 Y C 1.795 177.614 175.900 -0.135 0.000 1.154 302 Y CA 0.722 58.741 58.100 -0.136 0.000 1.325 302 Y CB -0.474 38.015 38.460 0.050 0.000 1.007 302 Y HN 0.258 nan 8.280 nan 0.000 0.542 303 L N -0.783 120.306 121.223 -0.224 0.000 2.044 303 L HA -0.141 4.199 4.340 -0.000 0.000 0.205 303 L C 1.998 178.726 176.870 -0.238 0.000 1.075 303 L CA 2.076 56.743 54.840 -0.289 0.000 0.747 303 L CB -0.526 41.277 42.059 -0.426 0.000 0.903 303 L HN 0.255 nan 8.230 nan 0.000 0.435 304 H N -1.911 116.977 119.070 -0.303 0.000 2.520 304 H HA 0.028 4.584 4.556 -0.000 0.000 0.279 304 H C 2.339 177.435 175.328 -0.388 0.000 0.990 304 H CA 0.627 56.464 56.048 -0.352 0.000 1.288 304 H CB 0.231 29.812 29.762 -0.301 0.000 1.446 304 H HN 0.489 nan 8.280 nan 0.000 0.538 305 S N 1.783 117.229 115.700 -0.422 0.000 2.344 305 S HA -0.256 4.214 4.470 -0.000 0.000 0.217 305 S C 2.137 176.604 174.600 -0.222 0.000 1.033 305 S CA 1.335 59.270 58.200 -0.440 0.000 1.017 305 S CB -0.386 62.349 63.200 -0.775 0.000 0.941 305 S HN 0.531 nan 8.310 nan 0.000 0.430 306 R N 1.066 121.424 120.500 -0.237 0.000 2.096 306 R HA 0.059 4.399 4.340 -0.000 0.000 0.235 306 R C 2.346 178.607 176.300 -0.065 0.000 1.127 306 R CA 1.276 57.277 56.100 -0.166 0.000 0.968 306 R CB -0.824 29.225 30.300 -0.419 0.000 0.861 306 R HN 0.444 nan 8.270 nan 0.000 0.440 307 L N 1.276 122.483 121.223 -0.027 0.000 1.961 307 L HA -0.043 4.297 4.340 -0.000 0.000 0.210 307 L C 2.156 178.963 176.870 -0.105 0.000 1.072 307 L CA 1.660 56.489 54.840 -0.018 0.000 0.749 307 L CB -0.399 41.465 42.059 -0.324 0.000 0.889 307 L HN 0.237 nan 8.230 nan 0.000 0.432 308 L N -0.196 120.917 121.223 -0.182 0.000 2.549 308 L HA -0.120 4.220 4.340 -0.000 0.000 0.230 308 L C 2.302 179.139 176.870 -0.054 0.000 1.162 308 L CA 0.459 55.216 54.840 -0.138 0.000 0.834 308 L CB -0.533 41.421 42.059 -0.176 0.000 0.947 308 L HN 0.429 nan 8.230 nan 0.000 0.452 309 E N 0.142 120.317 120.200 -0.042 0.000 2.285 309 E HA -0.118 4.232 4.350 -0.000 0.000 0.194 309 E C 2.135 178.744 176.600 0.015 0.000 0.997 309 E CA 0.527 56.923 56.400 -0.006 0.000 0.845 309 E CB 0.187 29.889 29.700 0.002 0.000 0.782 309 E HN 0.519 nan 8.360 nan 0.000 0.491 310 R N 0.766 121.280 120.500 0.024 0.000 2.090 310 R HA 0.054 4.394 4.340 -0.000 0.000 0.228 310 R C 1.130 177.463 176.300 0.054 0.000 1.110 310 R CA 0.628 56.756 56.100 0.046 0.000 0.973 310 R CB -0.150 30.192 30.300 0.069 0.000 0.869 310 R HN -0.078 nan 8.270 nan 0.000 0.440 311 A N 1.259 124.114 122.820 0.059 0.000 2.524 311 A HA 0.490 4.810 4.320 -0.000 0.000 0.250 311 A C -0.030 177.575 177.584 0.035 0.000 1.078 311 A CA 0.438 52.509 52.037 0.058 0.000 0.761 311 A CB 0.080 19.120 19.000 0.067 0.000 1.012 311 A HN 0.388 nan 8.150 nan 0.000 0.500 312 A N 2.399 125.238 122.820 0.031 0.000 2.557 312 A HA 0.815 5.135 4.320 -0.000 0.000 0.292 312 A C -0.829 176.762 177.584 0.013 0.000 1.139 312 A CA -0.629 51.421 52.037 0.021 0.000 0.665 312 A CB 1.060 20.076 19.000 0.026 0.000 1.285 312 A HN 1.043 nan 8.150 nan 0.000 0.433 313 K N 0.673 121.078 120.400 0.008 0.000 2.545 313 K HA 0.689 5.009 4.320 -0.000 0.000 0.252 313 K C -1.702 174.912 176.600 0.023 0.000 0.948 313 K CA -0.217 56.071 56.287 0.003 0.000 0.827 313 K CB 0.699 33.184 32.500 -0.026 0.000 1.128 313 K HN 0.611 nan 8.250 nan 0.000 0.429 314 L N 2.894 124.137 121.223 0.034 0.000 2.399 314 L HA 0.452 4.792 4.340 -0.000 0.000 0.266 314 L C 0.609 177.503 176.870 0.040 0.000 1.114 314 L CA -0.820 54.039 54.840 0.032 0.000 0.804 314 L CB 1.502 43.576 42.059 0.025 0.000 1.146 314 L HN 0.897 nan 8.230 nan 0.000 0.451 315 S N 0.106 115.823 115.700 0.029 0.000 2.606 315 S HA 0.071 4.541 4.470 -0.000 0.000 0.257 315 S C 0.811 175.427 174.600 0.027 0.000 1.327 315 S CA -0.480 57.736 58.200 0.027 0.000 0.984 315 S CB 0.716 63.925 63.200 0.015 0.000 0.941 315 S HN 0.681 nan 8.310 nan 0.000 0.576 316 E N 0.649 120.863 120.200 0.023 0.000 2.051 316 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 316 E C 1.993 178.597 176.600 0.008 0.000 0.991 316 E CA 1.231 57.642 56.400 0.019 0.000 0.799 316 E CB -0.217 29.490 29.700 0.012 0.000 0.748 316 E HN 0.736 nan 8.360 nan 0.000 0.449 317 K N 0.697 121.098 120.400 0.003 0.000 2.173 317 K HA -0.221 4.099 4.320 -0.000 0.000 0.207 317 K C 1.238 177.834 176.600 -0.008 0.000 1.046 317 K CA 1.296 57.581 56.287 -0.003 0.000 0.929 317 K CB 0.165 32.663 32.500 -0.003 0.000 0.720 317 K HN 0.003 nan 8.250 nan 0.000 0.453 318 E N -1.163 119.034 120.200 -0.005 0.000 2.474 318 E HA 0.071 4.421 4.350 -0.000 0.000 0.195 318 E C 0.778 177.367 176.600 -0.019 0.000 1.039 318 E CA 0.692 57.084 56.400 -0.013 0.000 0.881 318 E CB 0.999 30.696 29.700 -0.006 0.000 0.970 318 E HN 0.536 nan 8.360 nan 0.000 0.486 319 G N 1.287 110.082 108.800 -0.009 0.000 2.130 319 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.216 319 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.216 319 G C 0.562 175.470 174.900 0.014 0.000 0.999 319 G CA 0.319 45.411 45.100 -0.013 0.000 0.686 319 G HN 0.093 nan 8.290 nan 0.000 0.515 320 S N -1.950 113.776 115.700 0.044 0.000 3.225 320 S HA -0.199 4.271 4.470 -0.000 0.000 0.308 320 S C 1.791 176.499 174.600 0.179 0.000 1.270 320 S CA 1.845 60.104 58.200 0.098 0.000 1.011 320 S CB -1.361 61.907 63.200 0.112 0.000 1.138 320 S HN 2.241 nan 8.310 nan 0.000 0.661 321 G N 0.987 109.856 108.800 0.116 0.000 2.636 321 G HA2 0.496 4.456 3.960 -0.000 0.000 0.246 321 G HA3 0.496 4.456 3.960 -0.000 0.000 0.246 321 G C -0.087 174.939 174.900 0.210 0.000 1.216 321 G CA 0.365 45.564 45.100 0.166 0.000 0.854 321 G HN 1.191 nan 8.290 nan 0.000 0.572 322 S N -0.530 115.363 115.700 0.321 0.000 2.533 322 S HA 0.553 5.023 4.470 -0.000 0.000 0.271 322 S C -1.373 173.311 174.600 0.141 0.000 1.143 322 S CA -0.871 57.417 58.200 0.147 0.000 0.891 322 S CB 1.915 65.095 63.200 -0.033 0.000 1.105 322 S HN 0.840 nan 8.310 nan 0.000 0.468 323 L N 2.171 123.444 121.223 0.083 0.000 2.313 323 L HA 0.754 5.094 4.340 -0.000 0.000 0.283 323 L C -0.660 176.230 176.870 0.033 0.000 1.013 323 L CA 0.259 55.145 54.840 0.077 0.000 0.816 323 L CB 1.674 43.788 42.059 0.092 0.000 1.236 323 L HN 0.938 nan 8.230 nan 0.000 0.419 324 T N 4.670 119.232 114.554 0.013 0.000 2.779 324 T HA 0.826 5.176 4.350 -0.000 0.000 0.280 324 T C -0.498 174.200 174.700 -0.003 0.000 0.987 324 T CA -0.376 61.719 62.100 -0.009 0.000 0.966 324 T CB 1.376 70.219 68.868 -0.041 0.000 0.933 324 T HN 0.783 nan 8.240 nan 0.000 0.442 325 A N 3.671 126.504 122.820 0.021 0.000 2.330 325 A HA 0.765 5.085 4.320 -0.000 0.000 0.313 325 A C -0.645 176.964 177.584 0.043 0.000 1.124 325 A CA -0.750 51.320 52.037 0.054 0.000 0.774 325 A CB 0.535 19.655 19.000 0.200 0.000 1.198 325 A HN 0.850 nan 8.150 nan 0.000 0.465 326 L N 4.812 126.045 121.223 0.018 0.000 2.297 326 L HA 0.370 4.710 4.340 -0.000 0.000 0.277 326 L C -2.201 174.701 176.870 0.053 0.000 1.040 326 L CA -1.768 53.081 54.840 0.015 0.000 0.867 326 L CB 1.369 43.420 42.059 -0.012 0.000 1.244 326 L HN 0.478 nan 8.230 nan 0.000 0.433 327 P HA 0.171 nan 4.420 nan 0.000 0.274 327 P C -0.590 176.690 177.300 -0.034 0.000 1.231 327 P CA -0.256 62.861 63.100 0.028 0.000 0.790 327 P CB 1.975 33.601 31.700 -0.124 0.000 0.951 328 V N 3.873 123.754 119.914 -0.054 0.000 2.513 328 V HA 0.424 4.544 4.120 -0.000 0.000 0.299 328 V C 0.329 176.379 176.094 -0.073 0.000 1.035 328 V CA -0.562 61.704 62.300 -0.057 0.000 0.889 328 V CB 1.598 33.392 31.823 -0.049 0.000 0.988 328 V HN 0.409 nan 8.190 nan 0.000 0.440 329 I N 3.174 123.713 120.570 -0.051 0.000 2.582 329 I HA 0.417 4.587 4.170 -0.000 0.000 0.292 329 I C -0.171 175.938 176.117 -0.012 0.000 1.066 329 I CA -0.521 60.759 61.300 -0.035 0.000 1.053 329 I CB 2.164 40.145 38.000 -0.032 0.000 1.241 329 I HN 0.733 nan 8.210 nan 0.000 0.421 330 E N 4.145 124.346 120.200 0.001 0.000 2.081 330 E HA 0.271 4.621 4.350 -0.000 0.000 0.281 330 E C -0.230 176.389 176.600 0.031 0.000 0.986 330 E CA -0.414 55.989 56.400 0.005 0.000 0.796 330 E CB 0.840 30.546 29.700 0.010 0.000 1.085 330 E HN 0.659 nan 8.360 nan 0.000 0.398 331 T N 2.240 116.816 114.554 0.036 0.000 2.851 331 T HA 0.123 4.473 4.350 -0.000 0.000 0.298 331 T C 0.258 174.992 174.700 0.057 0.000 0.977 331 T CA -0.792 61.352 62.100 0.072 0.000 1.126 331 T CB 1.166 70.112 68.868 0.130 0.000 0.916 331 T HN 0.399 nan 8.240 nan 0.000 0.529 332 Q N 2.312 122.153 119.800 0.068 0.000 2.681 332 Q HA 0.375 4.715 4.340 -0.000 0.000 0.222 332 Q C 1.119 177.159 176.000 0.067 0.000 1.258 332 Q CA 0.178 56.018 55.803 0.061 0.000 1.014 332 Q CB 0.487 29.264 28.738 0.065 0.000 1.384 332 Q HN 1.278 nan 8.270 nan 0.000 0.570 333 G N 0.293 109.133 108.800 0.066 0.000 2.168 333 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.197 333 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.197 333 G C 0.636 175.599 174.900 0.105 0.000 0.997 333 G CA -0.110 45.035 45.100 0.074 0.000 0.658 333 G HN 0.929 nan 8.290 nan 0.000 0.513 334 G N -0.423 108.462 108.800 0.141 0.000 2.175 334 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.244 334 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.244 334 G C 0.136 175.151 174.900 0.193 0.000 0.982 334 G CA 0.826 46.078 45.100 0.253 0.000 0.641 334 G HN 1.282 nan 8.290 nan 0.000 0.527 335 D N 1.371 121.850 120.400 0.131 0.000 2.541 335 D HA 0.326 4.966 4.640 -0.000 0.000 0.231 335 D C 2.072 178.431 176.300 0.099 0.000 1.163 335 D CA 0.563 54.620 54.000 0.095 0.000 1.077 335 D CB 0.299 41.148 40.800 0.082 0.000 1.110 335 D HN 0.703 nan 8.370 nan 0.000 0.499 336 V N 0.647 120.612 119.914 0.086 0.000 2.809 336 V HA -0.091 4.029 4.120 -0.000 0.000 0.256 336 V C 1.827 177.953 176.094 0.053 0.000 1.080 336 V CA 1.144 63.487 62.300 0.071 0.000 1.102 336 V CB -0.271 31.551 31.823 -0.002 0.000 0.705 336 V HN 0.246 nan 8.190 nan 0.000 0.475 337 S N 0.662 116.390 115.700 0.046 0.000 2.489 337 S HA 0.398 4.867 4.470 -0.000 0.000 0.228 337 S C 1.386 176.033 174.600 0.077 0.000 0.995 337 S CA 0.512 58.741 58.200 0.048 0.000 0.934 337 S CB -0.452 62.768 63.200 0.034 0.000 0.771 337 S HN 0.989 nan 8.310 nan 0.000 0.522 338 A N 0.757 123.632 122.820 0.092 0.000 2.504 338 A HA 0.138 4.458 4.320 -0.000 0.000 0.242 338 A C 0.961 178.648 177.584 0.171 0.000 1.100 338 A CA 0.041 52.154 52.037 0.127 0.000 0.786 338 A CB -0.262 18.812 19.000 0.124 0.000 1.050 338 A HN 0.377 nan 8.150 nan 0.000 0.512 339 Y N 0.776 121.104 120.300 0.046 0.000 2.114 339 Y HA -0.192 4.358 4.550 -0.000 0.000 0.284 339 Y C 1.874 177.783 175.900 0.014 0.000 1.143 339 Y CA 2.131 60.248 58.100 0.028 0.000 1.135 339 Y CB -0.216 38.264 38.460 0.033 0.000 0.980 339 Y HN 0.469 nan 8.280 nan 0.000 0.499 340 I N 0.672 121.164 120.570 -0.129 0.000 2.233 340 I HA -0.135 4.035 4.170 -0.000 0.000 0.243 340 I C -0.428 175.668 176.117 -0.035 0.000 1.093 340 I CA 1.041 62.215 61.300 -0.210 0.000 1.380 340 I CB -2.809 35.097 38.000 -0.157 0.000 1.067 340 I HN 0.144 nan 8.210 nan 0.000 0.413 341 P HA -0.091 nan 4.420 nan 0.000 0.219 341 P C 1.784 179.116 177.300 0.053 0.000 1.146 341 P CA 1.453 64.581 63.100 0.045 0.000 0.808 341 P CB -0.094 31.647 31.700 0.069 0.000 0.779 342 T N -1.110 113.482 114.554 0.063 0.000 2.851 342 T HA -0.064 4.286 4.350 -0.000 0.000 0.262 342 T C 1.601 176.356 174.700 0.092 0.000 1.043 342 T CA 1.106 63.252 62.100 0.077 0.000 1.140 342 T CB -0.757 68.172 68.868 0.102 0.000 0.872 342 T HN 0.068 nan 8.240 nan 0.000 0.446 343 N N 1.132 119.888 118.700 0.094 0.000 2.061 343 N HA -0.100 4.640 4.740 -0.000 0.000 0.193 343 N C 1.866 177.514 175.510 0.230 0.000 1.030 343 N CA 1.004 54.184 53.050 0.216 0.000 0.856 343 N CB -0.846 37.742 38.487 0.168 0.000 1.023 343 N HN 0.213 nan 8.380 nan 0.000 0.424 344 V N 1.394 121.378 119.914 0.116 0.000 2.270 344 V HA -0.146 3.974 4.120 -0.000 0.000 0.245 344 V C 2.161 178.281 176.094 0.043 0.000 1.043 344 V CA 1.199 63.523 62.300 0.039 0.000 1.014 344 V CB -0.610 31.178 31.823 -0.058 0.000 0.645 344 V HN 0.216 nan 8.190 nan 0.000 0.447 345 I N 0.731 121.331 120.570 0.050 0.000 2.185 345 I HA -0.289 3.881 4.170 -0.000 0.000 0.246 345 I C 2.448 178.603 176.117 0.063 0.000 1.088 345 I CA 1.914 63.242 61.300 0.048 0.000 1.347 345 I CB -0.685 37.342 38.000 0.045 0.000 1.041 345 I HN 0.221 nan 8.210 nan 0.000 0.415 346 S N 0.404 116.163 115.700 0.099 0.000 2.447 346 S HA 0.011 4.481 4.470 -0.000 0.000 0.233 346 S C 1.912 176.606 174.600 0.156 0.000 1.006 346 S CA 1.026 59.302 58.200 0.127 0.000 0.957 346 S CB -0.223 63.071 63.200 0.157 0.000 0.773 346 S HN 0.378 nan 8.310 nan 0.000 0.507 347 I N 1.211 121.863 120.570 0.138 0.000 2.494 347 I HA -0.033 4.137 4.170 -0.000 0.000 0.250 347 I C 1.540 177.679 176.117 0.038 0.000 1.112 347 I CA 0.481 61.834 61.300 0.087 0.000 1.438 347 I CB -0.424 37.580 38.000 0.006 0.000 1.111 347 I HN 0.274 nan 8.210 nan 0.000 0.431 348 T N -1.660 112.908 114.554 0.023 0.000 2.726 348 T HA 0.054 4.404 4.350 -0.000 0.000 0.294 348 T C 0.281 174.992 174.700 0.019 0.000 1.013 348 T CA -0.397 61.708 62.100 0.008 0.000 0.996 348 T CB 0.598 69.466 68.868 -0.000 0.000 1.016 348 T HN 0.050 nan 8.240 nan 0.000 0.529 349 D N 0.754 121.161 120.400 0.013 0.000 2.894 349 D HA 0.434 5.074 4.640 -0.000 0.000 0.248 349 D C 0.820 177.128 176.300 0.014 0.000 1.291 349 D CA 0.162 54.171 54.000 0.015 0.000 0.840 349 D CB -0.273 40.532 40.800 0.009 0.000 1.044 349 D HN 1.035 nan 8.370 nan 0.000 0.484 350 G N 1.457 110.268 108.800 0.018 0.000 2.484 350 G HA2 0.118 4.078 3.960 -0.000 0.000 0.685 350 G HA3 0.118 4.078 3.960 -0.000 0.000 0.685 350 G C -1.442 173.472 174.900 0.025 0.000 1.294 350 G CA -1.110 44.003 45.100 0.021 0.000 0.879 350 G HN 0.144 nan 8.290 nan 0.000 0.646 351 Q N -0.827 118.994 119.800 0.035 0.000 2.421 351 Q HA 0.823 5.163 4.340 -0.000 0.000 0.280 351 Q C -0.600 175.441 176.000 0.068 0.000 1.085 351 Q CA -0.895 54.937 55.803 0.049 0.000 0.807 351 Q CB 2.008 30.781 28.738 0.060 0.000 1.405 351 Q HN 0.798 nan 8.270 nan 0.000 0.419 352 I N 1.829 122.444 120.570 0.075 0.000 2.382 352 I HA 0.410 4.580 4.170 -0.000 0.000 0.285 352 I C -1.157 175.037 176.117 0.129 0.000 1.007 352 I CA -0.821 60.533 61.300 0.089 0.000 1.142 352 I CB 0.883 38.911 38.000 0.047 0.000 1.289 352 I HN 0.565 nan 8.210 nan 0.000 0.453 353 F N 7.819 127.774 119.950 0.008 0.000 2.394 353 F HA 0.590 5.117 4.527 -0.000 0.000 0.340 353 F C -0.829 174.976 175.800 0.009 0.000 1.105 353 F CA -0.473 57.531 58.000 0.007 0.000 1.124 353 F CB 0.817 39.825 39.000 0.013 0.000 1.145 353 F HN 0.212 nan 8.300 nan 0.000 0.505 354 L N 5.757 126.560 121.223 -0.701 0.000 2.342 354 L HA 0.535 4.875 4.340 -0.000 0.000 0.276 354 L C -0.149 176.227 176.870 -0.823 0.000 0.997 354 L CA -0.627 53.894 54.840 -0.531 0.000 0.838 354 L CB 1.219 43.097 42.059 -0.301 0.000 1.224 354 L HN 0.712 nan 8.230 nan 0.000 0.416 355 E N 1.715 121.611 120.200 -0.506 0.000 2.227 355 E HA 0.597 4.947 4.350 -0.000 0.000 0.282 355 E C 0.849 177.387 176.600 -0.104 0.000 1.015 355 E CA 0.086 56.322 56.400 -0.272 0.000 0.823 355 E CB 1.824 31.599 29.700 0.126 0.000 1.081 355 E HN 0.773 nan 8.360 nan 0.000 0.396 356 A N 1.974 124.733 122.820 -0.102 0.000 1.972 356 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 356 A C 1.830 179.490 177.584 0.127 0.000 1.169 356 A CA 1.943 53.951 52.037 -0.048 0.000 0.635 356 A CB -0.156 18.841 19.000 -0.004 0.000 0.810 356 A HN 0.734 nan 8.150 nan 0.000 0.446 357 E N 0.161 120.441 120.200 0.133 0.000 2.110 357 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 357 E C 1.823 178.511 176.600 0.148 0.000 0.988 357 E CA 1.316 57.812 56.400 0.160 0.000 0.804 357 E CB -0.347 29.434 29.700 0.136 0.000 0.745 357 E HN 0.718 nan 8.360 nan 0.000 0.458 358 L N -0.879 120.418 121.223 0.123 0.000 2.162 358 L HA 0.060 4.400 4.340 -0.000 0.000 0.205 358 L C 2.156 179.076 176.870 0.083 0.000 1.086 358 L CA 0.474 55.376 54.840 0.102 0.000 0.778 358 L CB -0.410 41.707 42.059 0.098 0.000 0.928 358 L HN 0.049 nan 8.230 nan 0.000 0.446 359 F N 0.453 120.335 119.950 -0.113 0.000 2.126 359 F HA -0.266 4.261 4.527 -0.000 0.000 0.299 359 F C 2.021 177.674 175.800 -0.245 0.000 1.096 359 F CA 1.622 59.477 58.000 -0.241 0.000 1.255 359 F CB -0.107 38.642 39.000 -0.417 0.000 0.997 359 F HN -0.043 nan 8.300 nan 0.000 0.479 360 Y N 0.001 120.398 120.300 0.161 0.000 2.490 360 Y HA 0.170 4.720 4.550 -0.000 0.000 0.281 360 Y C 1.640 177.544 175.900 0.006 0.000 1.174 360 Y CA 0.196 58.331 58.100 0.058 0.000 1.295 360 Y CB -0.572 37.973 38.460 0.140 0.000 1.062 360 Y HN -0.023 nan 8.280 nan 0.000 0.522 361 K N -0.166 120.306 120.400 0.119 0.000 2.504 361 K HA 0.168 4.488 4.320 -0.000 0.000 0.199 361 K C 1.184 177.794 176.600 0.016 0.000 1.028 361 K CA 0.540 56.870 56.287 0.072 0.000 1.164 361 K CB -0.265 32.280 32.500 0.075 0.000 0.877 361 K HN 0.420 nan 8.250 nan 0.000 0.508 362 G N 1.641 110.415 108.800 -0.043 0.000 2.162 362 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.260 362 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.260 362 G C 0.125 174.961 174.900 -0.106 0.000 0.976 362 G CA -0.042 45.004 45.100 -0.090 0.000 0.655 362 G HN 0.315 nan 8.290 nan 0.000 0.533 363 I N 0.508 121.021 120.570 -0.095 0.000 2.301 363 I HA 0.587 4.757 4.170 -0.000 0.000 0.292 363 I C 0.500 176.544 176.117 -0.121 0.000 1.046 363 I CA -0.412 60.849 61.300 -0.065 0.000 1.282 363 I CB 0.997 39.000 38.000 0.004 0.000 1.409 363 I HN -0.024 nan 8.210 nan 0.000 0.484 364 R N 6.718 127.149 120.500 -0.115 0.000 2.514 364 R HA 0.451 4.791 4.340 -0.000 0.000 0.296 364 R C -2.808 173.464 176.300 -0.046 0.000 1.012 364 R CA -1.543 54.498 56.100 -0.099 0.000 0.897 364 R CB 1.794 31.980 30.300 -0.190 0.000 1.184 364 R HN 0.266 nan 8.270 nan 0.000 0.440 365 P HA 0.184 nan 4.420 nan 0.000 0.282 365 P C -0.698 176.619 177.300 0.028 0.000 1.262 365 P CA -0.519 62.589 63.100 0.013 0.000 0.773 365 P CB 1.441 33.144 31.700 0.005 0.000 0.879 366 A N 5.130 127.984 122.820 0.057 0.000 3.048 366 A HA 0.204 4.524 4.320 -0.000 0.000 0.264 366 A C 0.436 178.042 177.584 0.036 0.000 1.796 366 A CA -0.379 51.691 52.037 0.055 0.000 1.445 366 A CB -1.442 17.613 19.000 0.091 0.000 1.074 366 A HN 0.512 nan 8.150 nan 0.000 0.621 367 I N 1.535 122.135 120.570 0.050 0.000 2.396 367 I HA 0.027 4.197 4.170 -0.000 0.000 0.289 367 I C 0.660 176.848 176.117 0.119 0.000 1.056 367 I CA -0.288 61.056 61.300 0.073 0.000 1.365 367 I CB 0.505 38.544 38.000 0.065 0.000 1.407 367 I HN 0.440 nan 8.210 nan 0.000 0.509 368 N N 6.330 125.147 118.700 0.196 0.000 2.415 368 N HA 0.055 4.795 4.740 -0.000 0.000 0.250 368 N C 0.975 176.580 175.510 0.159 0.000 1.127 368 N CA -0.089 53.096 53.050 0.224 0.000 0.945 368 N CB 1.298 40.021 38.487 0.394 0.000 1.196 368 N HN 0.453 nan 8.380 nan 0.000 0.499 369 V N 3.445 123.431 119.914 0.121 0.000 2.392 369 V HA -0.191 3.929 4.120 -0.000 0.000 0.249 369 V C 2.403 178.542 176.094 0.075 0.000 1.059 369 V CA 2.134 64.491 62.300 0.095 0.000 1.051 369 V CB -0.897 30.985 31.823 0.097 0.000 0.658 369 V HN 0.701 nan 8.190 nan 0.000 0.455 370 G N -0.329 108.512 108.800 0.068 0.000 2.422 370 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.218 370 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.218 370 G C 1.516 176.419 174.900 0.004 0.000 1.140 370 G CA 0.787 45.907 45.100 0.033 0.000 0.775 370 G HN 0.513 nan 8.290 nan 0.000 0.545 371 L N 0.363 121.585 121.223 -0.002 0.000 2.463 371 L HA 0.259 4.599 4.340 -0.000 0.000 0.219 371 L C 0.673 177.547 176.870 0.006 0.000 1.088 371 L CA 0.082 54.886 54.840 -0.060 0.000 0.849 371 L CB 0.523 42.441 42.059 -0.235 0.000 1.012 371 L HN -0.050 nan 8.230 nan 0.000 0.468 372 S N 0.491 116.228 115.700 0.063 0.000 2.438 372 S HA 0.536 5.006 4.470 -0.000 0.000 0.293 372 S C -0.245 174.386 174.600 0.052 0.000 1.141 372 S CA -0.563 57.684 58.200 0.078 0.000 1.080 372 S CB 1.578 64.845 63.200 0.111 0.000 0.978 372 S HN 0.076 nan 8.310 nan 0.000 0.479 373 V N 0.705 120.644 119.914 0.042 0.000 3.126 373 V HA 0.955 5.075 4.120 -0.000 0.000 0.314 373 V C -0.394 175.717 176.094 0.029 0.000 1.138 373 V CA -0.864 61.455 62.300 0.032 0.000 1.034 373 V CB 2.027 33.864 31.823 0.023 0.000 1.075 373 V HN 0.679 nan 8.190 nan 0.000 0.442 374 S N 0.755 116.469 115.700 0.023 0.000 2.707 374 S HA 0.530 5.000 4.470 -0.000 0.000 0.303 374 S C 0.545 175.153 174.600 0.015 0.000 1.132 374 S CA -0.713 57.497 58.200 0.017 0.000 1.046 374 S CB 1.652 64.860 63.200 0.014 0.000 1.004 374 S HN 0.848 nan 8.310 nan 0.000 0.483 375 R N 2.807 123.316 120.500 0.014 0.000 2.057 375 R HA -0.016 4.324 4.340 -0.000 0.000 0.229 375 R C 1.908 178.214 176.300 0.011 0.000 1.136 375 R CA 1.463 57.572 56.100 0.014 0.000 0.952 375 R CB -0.735 29.574 30.300 0.015 0.000 0.848 375 R HN 0.602 nan 8.270 nan 0.000 0.430 376 V N 0.750 120.668 119.914 0.007 0.000 2.527 376 V HA -0.234 3.886 4.120 -0.000 0.000 0.255 376 V C 1.585 177.683 176.094 0.006 0.000 1.081 376 V CA 1.824 64.127 62.300 0.005 0.000 1.092 376 V CB -1.313 30.508 31.823 -0.004 0.000 0.673 376 V HN 0.784 nan 8.190 nan 0.000 0.470 377 G N 0.274 109.078 108.800 0.006 0.000 2.539 377 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.256 377 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.256 377 G C 0.804 175.708 174.900 0.007 0.000 1.233 377 G CA 0.759 45.865 45.100 0.009 0.000 0.936 377 G HN 1.098 nan 8.290 nan 0.000 0.571 378 S N 0.216 115.922 115.700 0.010 0.000 2.607 378 S HA 0.413 4.883 4.470 -0.000 0.000 0.224 378 S C 2.360 176.965 174.600 0.009 0.000 0.969 378 S CA 1.230 59.436 58.200 0.009 0.000 0.927 378 S CB 0.083 63.291 63.200 0.013 0.000 0.772 378 S HN 2.055 nan 8.310 nan 0.000 0.533 379 A N 1.307 124.133 122.820 0.010 0.000 2.070 379 A HA 0.442 4.762 4.320 -0.000 0.000 0.220 379 A C 1.976 179.567 177.584 0.011 0.000 1.159 379 A CA 1.128 53.175 52.037 0.017 0.000 0.656 379 A CB -0.767 18.247 19.000 0.023 0.000 0.800 379 A HN 0.917 nan 8.150 nan 0.000 0.453 380 A N -1.084 121.732 122.820 -0.008 0.000 2.577 380 A HA 0.453 4.773 4.320 -0.000 0.000 0.280 380 A C 0.397 177.956 177.584 -0.042 0.000 1.331 380 A CA -0.171 51.844 52.037 -0.037 0.000 0.935 380 A CB -0.198 18.773 19.000 -0.048 0.000 1.082 380 A HN 0.540 nan 8.150 nan 0.000 0.525 381 Q N 0.044 119.830 119.800 -0.023 0.000 2.377 381 Q HA 0.530 4.870 4.340 -0.000 0.000 0.271 381 Q C -1.096 174.896 176.000 -0.014 0.000 1.077 381 Q CA -0.671 55.122 55.803 -0.017 0.000 0.820 381 Q CB 2.233 30.970 28.738 -0.002 0.000 1.347 381 Q HN 0.147 nan 8.270 nan 0.000 0.444 382 V N 5.247 125.154 119.914 -0.012 0.000 2.493 382 V HA -0.094 4.026 4.120 -0.000 0.000 0.292 382 V C 1.448 177.548 176.094 0.010 0.000 1.016 382 V CA 0.340 62.639 62.300 -0.001 0.000 1.097 382 V CB 0.479 32.309 31.823 0.013 0.000 0.947 382 V HN 0.839 nan 8.190 nan 0.000 0.479 383 K N 4.254 124.661 120.400 0.011 0.000 2.089 383 K HA -0.246 4.074 4.320 -0.000 0.000 0.210 383 K C 2.158 178.770 176.600 0.021 0.000 1.048 383 K CA 1.783 58.079 56.287 0.015 0.000 0.926 383 K CB -0.403 32.106 32.500 0.015 0.000 0.714 383 K HN 0.848 nan 8.250 nan 0.000 0.448 384 A N 0.915 123.748 122.820 0.022 0.000 1.978 384 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 384 A C 2.134 179.739 177.584 0.034 0.000 1.170 384 A CA 1.245 53.297 52.037 0.026 0.000 0.636 384 A CB -0.366 18.646 19.000 0.020 0.000 0.810 384 A HN 0.237 nan 8.150 nan 0.000 0.448 385 L N -0.322 120.920 121.223 0.032 0.000 2.095 385 L HA 0.014 4.354 4.340 -0.000 0.000 0.204 385 L C 2.277 179.167 176.870 0.034 0.000 1.080 385 L CA 2.351 57.212 54.840 0.036 0.000 0.759 385 L CB -0.550 41.528 42.059 0.031 0.000 0.914 385 L HN 0.456 nan 8.230 nan 0.000 0.439 386 K N -0.816 119.600 120.400 0.027 0.000 2.074 386 K HA -0.265 4.054 4.320 -0.000 0.000 0.209 386 K C 2.014 178.631 176.600 0.027 0.000 1.048 386 K CA 2.009 58.311 56.287 0.024 0.000 0.926 386 K CB -0.107 32.405 32.500 0.019 0.000 0.713 386 K HN 0.479 nan 8.250 nan 0.000 0.444 387 Q N 0.110 119.930 119.800 0.033 0.000 1.975 387 Q HA -0.146 4.194 4.340 -0.000 0.000 0.205 387 Q C 1.929 177.955 176.000 0.043 0.000 0.990 387 Q CA 2.105 57.931 55.803 0.038 0.000 0.845 387 Q CB -0.173 28.592 28.738 0.046 0.000 0.913 387 Q HN 0.404 nan 8.270 nan 0.000 0.420 388 V N -2.558 117.394 119.914 0.063 0.000 3.623 388 V HA 0.286 4.405 4.120 -0.000 0.000 0.274 388 V C 0.719 176.829 176.094 0.027 0.000 1.244 388 V CA 0.839 63.182 62.300 0.071 0.000 1.182 388 V CB -0.514 31.402 31.823 0.156 0.000 0.925 388 V HN 0.263 nan 8.190 nan 0.000 0.462 389 A N -0.238 122.593 122.820 0.020 0.000 2.806 389 A HA 0.721 5.041 4.320 -0.000 0.000 0.266 389 A C 1.455 179.045 177.584 0.010 0.000 0.926 389 A CA 0.309 52.350 52.037 0.008 0.000 1.068 389 A CB -0.002 19.008 19.000 0.017 0.000 1.189 389 A HN 0.496 nan 8.150 nan 0.000 0.481 390 G N 0.231 109.035 108.800 0.006 0.000 2.464 390 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.214 390 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.214 390 G C 1.420 176.332 174.900 0.021 0.000 1.218 390 G CA 1.479 46.587 45.100 0.013 0.000 0.794 390 G HN 0.471 nan 8.290 nan 0.000 0.542 391 S N 0.251 115.959 115.700 0.013 0.000 2.603 391 S HA 0.078 4.548 4.470 -0.000 0.000 0.220 391 S C 1.912 176.559 174.600 0.078 0.000 0.967 391 S CA -0.109 58.120 58.200 0.048 0.000 0.920 391 S CB 0.087 63.314 63.200 0.044 0.000 0.773 391 S HN 0.214 nan 8.310 nan 0.000 0.529 392 L N 2.232 123.474 121.223 0.030 0.000 2.056 392 L HA 0.083 4.423 4.340 -0.000 0.000 0.207 392 L C 2.102 179.033 176.870 0.102 0.000 1.078 392 L CA 1.823 56.684 54.840 0.036 0.000 0.749 392 L CB -0.386 41.669 42.059 -0.007 0.000 0.901 392 L HN 0.076 nan 8.230 nan 0.000 0.433 393 K N -0.952 119.496 120.400 0.081 0.000 2.103 393 K HA -0.075 4.245 4.320 -0.000 0.000 0.204 393 K C 2.049 178.709 176.600 0.099 0.000 1.052 393 K CA 1.287 57.623 56.287 0.082 0.000 0.945 393 K CB -0.054 32.481 32.500 0.057 0.000 0.722 393 K HN 0.321 nan 8.250 nan 0.000 0.443 394 L N -0.132 121.153 121.223 0.104 0.000 2.341 394 L HA -0.044 4.296 4.340 -0.000 0.000 0.214 394 L C 2.004 178.947 176.870 0.121 0.000 1.115 394 L CA 0.333 55.228 54.840 0.092 0.000 0.820 394 L CB -0.186 41.914 42.059 0.068 0.000 0.944 394 L HN 0.102 nan 8.230 nan 0.000 0.452 395 F N 0.366 120.329 119.950 0.022 0.000 2.084 395 F HA -0.187 4.340 4.527 -0.000 0.000 0.296 395 F C 2.074 177.912 175.800 0.065 0.000 1.111 395 F CA 1.557 59.574 58.000 0.028 0.000 1.224 395 F CB -0.084 38.916 39.000 -0.001 0.000 0.991 395 F HN -0.133 nan 8.300 nan 0.000 0.471 396 L N 0.037 121.440 121.223 0.301 0.000 2.127 396 L HA -0.215 4.125 4.340 -0.000 0.000 0.211 396 L C 2.752 179.719 176.870 0.161 0.000 1.089 396 L CA 1.047 56.024 54.840 0.227 0.000 0.757 396 L CB -1.209 40.961 42.059 0.184 0.000 0.899 396 L HN 0.269 nan 8.230 nan 0.000 0.434 397 A N -0.212 122.666 122.820 0.098 0.000 1.865 397 A HA -0.281 4.039 4.320 -0.000 0.000 0.217 397 A C 2.224 179.813 177.584 0.008 0.000 1.191 397 A CA 1.805 53.873 52.037 0.052 0.000 0.623 397 A CB -0.539 18.484 19.000 0.038 0.000 0.826 397 A HN 0.465 nan 8.150 nan 0.000 0.444 398 Q N -2.389 117.382 119.800 -0.048 0.000 2.364 398 Q HA -0.120 4.220 4.340 -0.000 0.000 0.207 398 Q C 1.714 177.638 176.000 -0.127 0.000 0.970 398 Q CA 1.234 56.968 55.803 -0.116 0.000 0.888 398 Q CB -0.235 28.392 28.738 -0.184 0.000 0.951 398 Q HN 0.843 nan 8.270 nan 0.000 0.469 399 Y N 0.834 120.989 120.300 -0.242 0.000 2.439 399 Y HA -0.063 4.487 4.550 -0.000 0.000 0.292 399 Y C 1.548 177.409 175.900 -0.065 0.000 1.130 399 Y CA 1.036 59.029 58.100 -0.178 0.000 1.254 399 Y CB 0.233 38.620 38.460 -0.122 0.000 1.000 399 Y HN -0.079 nan 8.280 nan 0.000 0.554 400 R N -0.398 120.063 120.500 -0.065 0.000 2.119 400 R HA -0.099 4.241 4.340 -0.000 0.000 0.222 400 R C 1.774 178.015 176.300 -0.098 0.000 1.088 400 R CA 1.265 57.307 56.100 -0.097 0.000 0.984 400 R CB -0.151 30.142 30.300 -0.011 0.000 0.884 400 R HN 0.234 nan 8.270 nan 0.000 0.447 401 E N 0.389 120.540 120.200 -0.081 0.000 2.427 401 E HA -0.050 4.300 4.350 -0.000 0.000 0.196 401 E C 1.146 177.715 176.600 -0.052 0.000 1.028 401 E CA 0.501 56.864 56.400 -0.061 0.000 0.864 401 E CB 0.471 30.131 29.700 -0.067 0.000 0.813 401 E HN 0.046 nan 8.360 nan 0.000 0.514 402 V N -0.660 119.195 119.914 -0.099 0.000 3.570 402 V HA 0.234 4.354 4.120 -0.000 0.000 0.257 402 V C 1.798 177.842 176.094 -0.084 0.000 1.272 402 V CA 0.823 63.097 62.300 -0.043 0.000 1.079 402 V CB 0.595 32.381 31.823 -0.062 0.000 0.829 402 V HN 0.304 nan 8.190 nan 0.000 0.454 403 A N 0.243 122.906 122.820 -0.262 0.000 2.168 403 A HA 0.227 4.547 4.320 -0.000 0.000 0.215 403 A C 2.151 179.665 177.584 -0.115 0.000 1.152 403 A CA 1.589 53.475 52.037 -0.252 0.000 0.716 403 A CB -0.215 18.549 19.000 -0.393 0.000 0.794 403 A HN 0.521 nan 8.150 nan 0.000 0.465 404 A N -1.018 121.766 122.820 -0.060 0.000 1.997 404 A HA 0.424 4.744 4.320 -0.000 0.000 0.212 404 A C 0.892 178.495 177.584 0.030 0.000 1.178 404 A CA -0.039 51.988 52.037 -0.016 0.000 0.698 404 A CB -0.389 18.608 19.000 -0.005 0.000 0.842 404 A HN 0.513 nan 8.150 nan 0.000 0.458 412 L N -0.015 121.243 121.223 0.058 0.000 2.359 412 L HA 0.415 4.755 4.340 -0.000 0.000 0.256 412 L C 0.263 177.174 176.870 0.069 0.000 1.026 412 L CA -1.134 53.764 54.840 0.098 0.000 0.828 412 L CB 1.857 43.989 42.059 0.123 0.000 1.406 412 L HN 0.499 nan 8.230 nan 0.000 0.413 413 D N 0.725 121.165 120.400 0.067 0.000 2.314 413 D HA 0.046 4.686 4.640 -0.000 0.000 0.252 413 D C 0.884 177.201 176.300 0.029 0.000 1.295 413 D CA -0.051 53.971 54.000 0.036 0.000 0.995 413 D CB 0.939 41.750 40.800 0.020 0.000 1.125 413 D HN 0.590 nan 8.370 nan 0.000 0.537 414 A N -0.301 122.529 122.820 0.017 0.000 2.067 414 A HA -0.076 4.244 4.320 -0.000 0.000 0.219 414 A C 2.223 179.817 177.584 0.017 0.000 1.158 414 A CA 1.177 53.223 52.037 0.015 0.000 0.661 414 A CB -0.322 18.683 19.000 0.008 0.000 0.801 414 A HN 0.446 nan 8.150 nan 0.000 0.452 415 S N -1.033 114.673 115.700 0.010 0.000 2.452 415 S HA -0.054 4.416 4.470 -0.000 0.000 0.225 415 S C 2.165 176.771 174.600 0.010 0.000 1.057 415 S CA 1.294 59.499 58.200 0.007 0.000 0.949 415 S CB -0.225 62.966 63.200 -0.015 0.000 0.836 415 S HN 0.841 nan 8.310 nan 0.000 0.518 416 T N 1.580 116.135 114.554 0.001 0.000 3.055 416 T HA 0.029 4.379 4.350 -0.000 0.000 0.265 416 T C 1.576 176.318 174.700 0.070 0.000 1.111 416 T CA 0.923 63.031 62.100 0.012 0.000 1.118 416 T CB -0.258 68.605 68.868 -0.010 0.000 0.909 416 T HN 0.555 nan 8.240 nan 0.000 0.501 417 K N 0.979 121.419 120.400 0.067 0.000 2.098 417 K HA -0.040 4.280 4.320 -0.000 0.000 0.203 417 K C 2.443 179.091 176.600 0.079 0.000 1.051 417 K CA 0.949 57.279 56.287 0.072 0.000 0.957 417 K CB -0.304 32.229 32.500 0.055 0.000 0.738 417 K HN 0.341 nan 8.250 nan 0.000 0.447 418 Q N 1.876 121.718 119.800 0.069 0.000 2.030 418 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 418 Q C 1.903 177.992 176.000 0.149 0.000 0.986 418 Q CA 3.107 58.960 55.803 0.084 0.000 0.843 418 Q CB -0.682 28.095 28.738 0.065 0.000 0.904 418 Q HN 0.548 nan 8.270 nan 0.000 0.420 419 T N -1.537 113.099 114.554 0.137 0.000 3.113 419 T HA -0.041 4.309 4.350 -0.000 0.000 0.263 419 T C 1.530 176.343 174.700 0.188 0.000 1.143 419 T CA 0.895 63.083 62.100 0.146 0.000 1.090 419 T CB -0.050 68.764 68.868 -0.091 0.000 0.922 419 T HN 0.283 nan 8.240 nan 0.000 0.521 420 L N 0.253 121.596 121.223 0.199 0.000 2.298 420 L HA 0.356 4.696 4.340 -0.000 0.000 0.209 420 L C 2.382 179.422 176.870 0.284 0.000 1.084 420 L CA 0.595 55.611 54.840 0.292 0.000 0.816 420 L CB 0.015 42.175 42.059 0.168 0.000 0.967 420 L HN 0.060 nan 8.230 nan 0.000 0.460 421 V N -0.135 119.883 119.914 0.174 0.000 2.379 421 V HA -0.176 3.944 4.120 -0.000 0.000 0.245 421 V C 2.676 178.816 176.094 0.077 0.000 1.044 421 V CA 1.911 64.276 62.300 0.109 0.000 1.036 421 V CB -0.524 31.337 31.823 0.064 0.000 0.664 421 V HN 0.446 nan 8.190 nan 0.000 0.453 422 R N 0.228 120.796 120.500 0.113 0.000 2.073 422 R HA -0.081 4.259 4.340 -0.000 0.000 0.229 422 R C 2.321 178.613 176.300 -0.013 0.000 1.120 422 R CA 1.586 57.708 56.100 0.036 0.000 0.967 422 R CB -0.677 29.642 30.300 0.031 0.000 0.862 422 R HN 0.511 nan 8.270 nan 0.000 0.436 423 G N 0.248 109.092 108.800 0.073 0.000 2.402 423 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.216 423 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.216 423 G C 1.212 175.706 174.900 -0.676 0.000 1.162 423 G CA 0.712 45.536 45.100 -0.461 0.000 0.777 423 G HN 0.450 nan 8.290 nan 0.000 0.539 424 E N 0.224 120.249 120.200 -0.292 0.000 2.065 424 E HA -0.167 4.183 4.350 -0.000 0.000 0.201 424 E C 2.284 178.852 176.600 -0.054 0.000 1.016 424 E CA 0.940 57.334 56.400 -0.010 0.000 0.818 424 E CB -0.029 29.743 29.700 0.120 0.000 0.749 424 E HN 0.334 nan 8.360 nan 0.000 0.453 425 R N -0.347 120.111 120.500 -0.071 0.000 2.356 425 R HA 0.157 4.497 4.340 -0.000 0.000 0.234 425 R C 1.594 177.835 176.300 -0.098 0.000 0.929 425 R CA -0.149 55.907 56.100 -0.074 0.000 1.084 425 R CB 0.314 30.564 30.300 -0.083 0.000 1.105 425 R HN 0.223 nan 8.270 nan 0.000 0.515 426 L N -1.394 119.751 121.223 -0.130 0.000 2.362 426 L HA 0.038 4.378 4.340 -0.000 0.000 0.204 426 L C 1.695 178.516 176.870 -0.081 0.000 1.060 426 L CA 0.788 55.557 54.840 -0.119 0.000 0.827 426 L CB 0.129 42.094 42.059 -0.157 0.000 1.027 426 L HN 0.095 nan 8.230 nan 0.000 0.474 427 T N -0.849 113.645 114.554 -0.101 0.000 2.803 427 T HA -0.263 4.087 4.350 -0.000 0.000 0.269 427 T C 1.699 176.396 174.700 -0.005 0.000 1.052 427 T CA 1.410 63.493 62.100 -0.029 0.000 1.136 427 T CB -0.081 68.795 68.868 0.015 0.000 0.864 427 T HN 0.146 nan 8.240 nan 0.000 0.467 428 Q N 0.541 120.333 119.800 -0.013 0.000 2.119 428 Q HA 0.029 4.369 4.340 -0.000 0.000 0.201 428 Q C 2.013 178.019 176.000 0.009 0.000 0.972 428 Q CA 1.096 56.900 55.803 0.002 0.000 0.847 428 Q CB -0.576 28.160 28.738 -0.002 0.000 0.903 428 Q HN 0.427 nan 8.270 nan 0.000 0.433 429 L N -0.644 120.579 121.223 -0.000 0.000 2.109 429 L HA 0.045 4.385 4.340 -0.000 0.000 0.207 429 L C 1.706 178.590 176.870 0.024 0.000 1.086 429 L CA 1.309 56.162 54.840 0.021 0.000 0.760 429 L CB -0.180 41.883 42.059 0.006 0.000 0.910 429 L HN 0.297 nan 8.230 nan 0.000 0.437 430 L N -0.788 120.442 121.223 0.011 0.000 2.465 430 L HA -0.063 4.277 4.340 -0.000 0.000 0.224 430 L C 0.962 177.839 176.870 0.013 0.000 1.145 430 L CA 0.192 55.041 54.840 0.015 0.000 0.834 430 L CB -0.550 41.518 42.059 0.016 0.000 0.944 430 L HN 0.079 nan 8.230 nan 0.000 0.451 431 K N 1.419 121.825 120.400 0.010 0.000 2.485 431 K HA 0.099 4.419 4.320 -0.000 0.000 0.277 431 K C -0.052 176.549 176.600 0.001 0.000 0.990 431 K CA 0.548 56.834 56.287 -0.001 0.000 0.994 431 K CB 0.443 32.942 32.500 -0.002 0.000 0.906 431 K HN 0.044 nan 8.250 nan 0.000 0.488 432 Q N 2.316 122.108 119.800 -0.013 0.000 2.313 432 Q HA 0.117 4.457 4.340 -0.000 0.000 0.260 432 Q C -1.491 174.487 176.000 -0.036 0.000 0.972 432 Q CA -0.797 54.998 55.803 -0.014 0.000 0.886 432 Q CB 1.278 30.010 28.738 -0.010 0.000 1.373 432 Q HN 0.565 nan 8.270 nan 0.000 0.416 433 N N 2.784 121.468 118.700 -0.027 0.000 2.518 433 N HA 0.023 4.763 4.740 -0.000 0.000 0.266 433 N C -0.330 175.129 175.510 -0.084 0.000 1.196 433 N CA -0.097 52.929 53.050 -0.040 0.000 0.947 433 N CB 0.639 39.127 38.487 0.001 0.000 1.098 433 N HN 0.609 nan 8.380 nan 0.000 0.450 434 Q N 0.275 119.967 119.800 -0.179 0.000 2.369 434 Q HA -0.133 4.207 4.340 -0.000 0.000 0.295 434 Q C -0.425 175.367 176.000 -0.346 0.000 1.075 434 Q CA 0.413 55.944 55.803 -0.453 0.000 0.941 434 Q CB 0.064 28.320 28.738 -0.804 0.000 1.260 434 Q HN 0.607 nan 8.270 nan 0.000 0.417 435 Y N -0.508 119.761 120.300 -0.052 0.000 4.490 435 Y HA -0.251 4.299 4.550 -0.000 0.000 0.233 435 Y C -0.149 175.732 175.900 -0.031 0.000 1.101 435 Y CA 0.805 58.849 58.100 -0.095 0.000 2.010 435 Y CB -2.155 36.235 38.460 -0.118 0.000 1.622 435 Y HN 0.356 nan 8.280 nan 0.000 0.675 436 S N 1.236 116.974 115.700 0.063 0.000 2.080 436 S HA 0.341 4.811 4.470 -0.000 0.000 0.162 436 S C -2.548 172.067 174.600 0.026 0.000 1.618 436 S CA -0.950 57.282 58.200 0.054 0.000 1.200 436 S CB 0.988 64.215 63.200 0.044 0.000 1.135 436 S HN 0.052 nan 8.310 nan 0.000 0.455 437 P HA 0.322 nan 4.420 nan 0.000 0.283 437 P C -0.494 176.812 177.300 0.010 0.000 1.412 437 P CA -0.435 62.676 63.100 0.019 0.000 0.912 437 P CB 0.325 32.041 31.700 0.028 0.000 1.132 438 L N 2.440 123.669 121.223 0.009 0.000 2.439 438 L HA 0.405 4.745 4.340 -0.000 0.000 0.269 438 L C 1.276 178.147 176.870 0.002 0.000 1.179 438 L CA -0.412 54.427 54.840 -0.001 0.000 0.828 438 L CB 0.245 42.306 42.059 0.003 0.000 1.106 438 L HN 0.333 nan 8.230 nan 0.000 0.467 439 A N 1.898 124.706 122.820 -0.021 0.000 2.366 439 A HA 0.250 4.570 4.320 -0.000 0.000 0.249 439 A C 1.263 178.860 177.584 0.020 0.000 1.084 439 A CA -0.091 51.936 52.037 -0.017 0.000 0.794 439 A CB 0.242 19.205 19.000 -0.061 0.000 1.034 439 A HN 0.874 nan 8.150 nan 0.000 0.491 440 T N 0.872 115.463 114.554 0.062 0.000 2.720 440 T HA -0.137 4.213 4.350 -0.000 0.000 0.268 440 T C 1.512 176.229 174.700 0.028 0.000 1.037 440 T CA 1.801 63.939 62.100 0.064 0.000 1.144 440 T CB -0.218 68.710 68.868 0.101 0.000 0.864 440 T HN 0.865 nan 8.240 nan 0.000 0.444 441 E N 1.374 121.581 120.200 0.011 0.000 2.505 441 E HA -0.062 4.288 4.350 -0.000 0.000 0.197 441 E C 0.990 177.562 176.600 -0.047 0.000 1.111 441 E CA 0.655 57.043 56.400 -0.021 0.000 0.887 441 E CB -0.089 29.593 29.700 -0.030 0.000 0.913 441 E HN 0.584 nan 8.360 nan 0.000 0.517 442 E N 0.249 120.429 120.200 -0.034 0.000 2.367 442 E HA 0.052 4.402 4.350 -0.000 0.000 0.204 442 E C 1.830 178.425 176.600 -0.009 0.000 0.840 442 E CA -0.029 56.343 56.400 -0.046 0.000 1.051 442 E CB 0.237 29.908 29.700 -0.049 0.000 1.051 442 E HN 0.194 nan 8.360 nan 0.000 0.509 443 Q N 0.635 120.442 119.800 0.012 0.000 2.167 443 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 443 Q C 2.239 178.269 176.000 0.050 0.000 0.970 443 Q CA 1.019 56.843 55.803 0.035 0.000 0.855 443 Q CB 0.177 28.937 28.738 0.036 0.000 0.911 443 Q HN 0.084 nan 8.270 nan 0.000 0.438 444 V N 1.361 121.297 119.914 0.038 0.000 2.255 444 V HA -0.219 3.901 4.120 -0.000 0.000 0.247 444 V C -0.863 175.283 176.094 0.087 0.000 1.051 444 V CA 2.095 64.426 62.300 0.053 0.000 1.018 444 V CB -1.381 30.457 31.823 0.025 0.000 0.641 444 V HN 0.269 nan 8.190 nan 0.000 0.445 445 P HA -0.128 nan 4.420 nan 0.000 0.216 445 P C 1.869 179.323 177.300 0.257 0.000 1.150 445 P CA 1.415 64.579 63.100 0.107 0.000 0.837 445 P CB -0.063 31.654 31.700 0.028 0.000 0.786 446 L N -1.607 119.742 121.223 0.210 0.000 2.141 446 L HA -0.118 4.222 4.340 -0.000 0.000 0.209 446 L C 2.239 179.197 176.870 0.146 0.000 1.094 446 L CA 1.008 55.973 54.840 0.209 0.000 0.763 446 L CB -0.601 41.554 42.059 0.160 0.000 0.908 446 L HN -0.044 nan 8.230 nan 0.000 0.437 447 I N -1.324 119.321 120.570 0.124 0.000 2.339 447 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 447 I C 2.468 178.640 176.117 0.093 0.000 1.096 447 I CA 1.324 62.672 61.300 0.080 0.000 1.408 447 I CB -0.992 37.045 38.000 0.063 0.000 1.092 447 I HN 0.244 nan 8.210 nan 0.000 0.423 448 Y N 2.511 122.820 120.300 0.016 0.000 2.139 448 Y HA -0.347 4.203 4.550 -0.000 0.000 0.282 448 Y C 2.604 178.516 175.900 0.021 0.000 1.179 448 Y CA 2.353 60.462 58.100 0.015 0.000 1.161 448 Y CB -0.161 38.311 38.460 0.020 0.000 0.970 448 Y HN 0.136 nan 8.280 nan 0.000 0.511 449 A N 0.043 122.988 122.820 0.208 0.000 1.898 449 A HA -0.068 4.252 4.320 -0.000 0.000 0.216 449 A C 2.458 180.038 177.584 -0.007 0.000 1.181 449 A CA 1.633 53.733 52.037 0.105 0.000 0.620 449 A CB -1.670 17.366 19.000 0.060 0.000 0.819 449 A HN 0.615 nan 8.150 nan 0.000 0.442 450 G N -0.531 108.239 108.800 -0.050 0.000 2.404 450 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.215 450 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.215 450 G C 1.482 176.250 174.900 -0.220 0.000 1.174 450 G CA 1.264 46.285 45.100 -0.132 0.000 0.780 450 G HN 0.325 nan 8.290 nan 0.000 0.537 451 V N 1.562 121.347 119.914 -0.215 0.000 2.515 451 V HA -0.119 4.001 4.120 -0.000 0.000 0.250 451 V C 2.081 178.012 176.094 -0.271 0.000 1.058 451 V CA 1.783 63.920 62.300 -0.271 0.000 1.064 451 V CB -0.398 31.305 31.823 -0.200 0.000 0.675 451 V HN 0.308 nan 8.190 nan 0.000 0.461 452 N N -0.253 118.287 118.700 -0.267 0.000 2.299 452 N HA 0.217 4.957 4.740 -0.000 0.000 0.187 452 N C 1.432 176.807 175.510 -0.225 0.000 1.099 452 N CA 0.952 53.849 53.050 -0.255 0.000 0.867 452 N CB 0.990 39.238 38.487 -0.398 0.000 0.974 452 N HN 0.510 nan 8.380 nan 0.000 0.477 453 G N 0.034 108.724 108.800 -0.183 0.000 2.176 453 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.232 453 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.232 453 G C 0.469 175.236 174.900 -0.223 0.000 0.986 453 G CA 0.160 45.131 45.100 -0.215 0.000 0.643 453 G HN 0.471 nan 8.290 nan 0.000 0.522 454 H N -0.118 118.872 119.070 -0.133 0.000 2.545 454 H HA 0.311 4.867 4.556 -0.000 0.000 0.282 454 H C 2.511 177.721 175.328 -0.196 0.000 1.020 454 H CA 1.377 57.355 56.048 -0.118 0.000 1.243 454 H CB 0.045 29.768 29.762 -0.066 0.000 1.377 454 H HN 0.471 nan 8.280 nan 0.000 0.581 455 L N -0.383 120.762 121.223 -0.131 0.000 2.556 455 L HA 0.008 4.348 4.340 -0.000 0.000 0.226 455 L C 1.312 178.072 176.870 -0.183 0.000 1.089 455 L CA 0.028 54.721 54.840 -0.245 0.000 0.864 455 L CB 0.233 42.136 42.059 -0.259 0.000 1.067 455 L HN 0.133 nan 8.230 nan 0.000 0.477 456 D N 1.157 121.476 120.400 -0.135 0.000 2.116 456 D HA -0.160 4.480 4.640 -0.000 0.000 0.193 456 D C 1.706 177.955 176.300 -0.085 0.000 0.998 456 D CA 1.607 55.549 54.000 -0.095 0.000 0.836 456 D CB -0.268 40.485 40.800 -0.079 0.000 0.951 456 D HN 0.289 nan 8.370 nan 0.000 0.449 457 G N 0.001 108.745 108.800 -0.093 0.000 3.882 457 G HA2 0.441 4.401 3.960 -0.000 0.000 0.283 457 G HA3 0.441 4.401 3.960 -0.000 0.000 0.283 457 G C 0.109 174.958 174.900 -0.084 0.000 1.283 457 G CA -0.247 44.809 45.100 -0.074 0.000 1.402 457 G HN 0.127 nan 8.290 nan 0.000 0.618 458 I N -0.864 119.640 120.570 -0.110 0.000 2.892 458 I HA 0.507 4.677 4.170 -0.000 0.000 0.306 458 I C 0.538 176.611 176.117 -0.073 0.000 1.078 458 I CA -1.354 59.881 61.300 -0.108 0.000 1.032 458 I CB 1.871 39.746 38.000 -0.208 0.000 1.229 458 I HN 0.217 nan 8.210 nan 0.000 0.435 459 E N 2.680 122.856 120.200 -0.040 0.000 2.417 459 E HA 0.340 4.690 4.350 -0.000 0.000 0.261 459 E C 0.939 177.530 176.600 -0.016 0.000 1.000 459 E CA 0.419 56.809 56.400 -0.017 0.000 0.919 459 E CB 0.310 30.011 29.700 0.002 0.000 0.955 459 E HN 0.699 nan 8.360 nan 0.000 0.455 460 L N 1.864 123.081 121.223 -0.011 0.000 2.127 460 L HA -0.083 4.257 4.340 -0.000 0.000 0.211 460 L C 2.508 179.383 176.870 0.008 0.000 1.089 460 L CA 2.948 57.784 54.840 -0.006 0.000 0.757 460 L CB -1.364 40.698 42.059 0.005 0.000 0.899 460 L HN 1.069 nan 8.230 nan 0.000 0.434 461 S N -1.547 114.162 115.700 0.015 0.000 2.556 461 S HA 0.297 4.767 4.470 -0.000 0.000 0.216 461 S C 1.689 176.311 174.600 0.037 0.000 0.970 461 S CA 0.602 58.816 58.200 0.025 0.000 0.912 461 S CB -0.323 62.891 63.200 0.023 0.000 0.790 461 S HN 0.982 nan 8.310 nan 0.000 0.504 462 R N 1.014 121.538 120.500 0.040 0.000 2.586 462 R HA 0.578 4.918 4.340 -0.000 0.000 0.306 462 R C 1.030 177.394 176.300 0.107 0.000 1.079 462 R CA 0.002 56.144 56.100 0.069 0.000 1.083 462 R CB -1.235 29.103 30.300 0.064 0.000 1.306 462 R HN 0.513 nan 8.270 nan 0.000 0.567 463 I N -0.860 119.762 120.570 0.087 0.000 2.731 463 I HA 0.090 4.260 4.170 -0.000 0.000 0.260 463 I C 2.546 178.771 176.117 0.180 0.000 1.138 463 I CA 1.499 62.873 61.300 0.123 0.000 1.461 463 I CB -0.865 37.154 38.000 0.030 0.000 1.128 463 I HN 0.358 nan 8.210 nan 0.000 0.438 464 G N 0.962 109.830 108.800 0.114 0.000 2.470 464 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.220 464 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.220 464 G C 1.546 176.509 174.900 0.105 0.000 1.121 464 G CA 1.254 46.411 45.100 0.096 0.000 0.766 464 G HN 0.523 nan 8.290 nan 0.000 0.553 465 E N 0.253 120.531 120.200 0.129 0.000 2.340 465 E HA 0.207 4.557 4.350 -0.000 0.000 0.194 465 E C 1.820 178.523 176.600 0.173 0.000 0.996 465 E CA 0.346 56.821 56.400 0.126 0.000 0.869 465 E CB -0.503 29.266 29.700 0.115 0.000 0.835 465 E HN 0.493 nan 8.360 nan 0.000 0.493 466 F N 1.324 121.323 119.950 0.082 0.000 2.075 466 F HA -0.093 4.434 4.527 -0.000 0.000 0.297 466 F C 2.299 178.160 175.800 0.101 0.000 1.113 466 F CA 2.363 60.428 58.000 0.108 0.000 1.218 466 F CB 0.018 39.053 39.000 0.059 0.000 0.984 466 F HN 0.301 nan 8.300 nan 0.000 0.472 467 E N 0.450 120.621 120.200 -0.048 0.000 2.045 467 E HA -0.335 4.014 4.350 -0.000 0.000 0.212 467 E C 2.223 178.718 176.600 -0.176 0.000 1.039 467 E CA 2.707 59.029 56.400 -0.130 0.000 0.860 467 E CB -0.452 29.275 29.700 0.045 0.000 0.776 467 E HN 0.555 nan 8.360 nan 0.000 0.467 468 S N -0.314 115.340 115.700 -0.076 0.000 2.399 468 S HA -0.082 4.388 4.470 -0.000 0.000 0.231 468 S C 2.167 176.722 174.600 -0.075 0.000 1.022 468 S CA 1.322 59.484 58.200 -0.064 0.000 0.983 468 S CB -0.113 63.078 63.200 -0.016 0.000 0.803 468 S HN 0.146 nan 8.310 nan 0.000 0.480 469 S N 0.694 116.364 115.700 -0.050 0.000 2.489 469 S HA 0.239 4.709 4.470 -0.000 0.000 0.228 469 S C 1.128 175.695 174.600 -0.055 0.000 0.995 469 S CA 0.271 58.490 58.200 0.033 0.000 0.934 469 S CB -0.372 62.921 63.200 0.156 0.000 0.771 469 S HN 0.583 nan 8.310 nan 0.000 0.522 470 F N 2.231 121.796 119.950 -0.641 0.000 2.270 470 F HA 0.206 4.733 4.527 -0.000 0.000 0.295 470 F C 1.574 177.059 175.800 -0.525 0.000 1.087 470 F CA 0.676 58.004 58.000 -1.121 0.000 1.365 470 F CB -0.427 37.596 39.000 -1.628 0.000 1.056 470 F HN 0.067 nan 8.300 nan 0.000 0.506 471 L N -0.713 120.262 121.223 -0.413 0.000 2.042 471 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 471 L C 2.600 179.317 176.870 -0.255 0.000 1.076 471 L CA 1.528 56.163 54.840 -0.343 0.000 0.749 471 L CB -1.057 40.890 42.059 -0.187 0.000 0.893 471 L HN 0.050 nan 8.230 nan 0.000 0.432 472 S N -1.192 114.422 115.700 -0.142 0.000 2.374 472 S HA -0.257 4.213 4.470 -0.000 0.000 0.227 472 S C 1.844 176.432 174.600 -0.019 0.000 1.037 472 S CA 1.575 59.743 58.200 -0.054 0.000 1.024 472 S CB -0.380 62.829 63.200 0.014 0.000 0.861 472 S HN 0.440 nan 8.310 nan 0.000 0.456 473 Y N 2.203 122.409 120.300 -0.156 0.000 2.133 473 Y HA -0.006 4.544 4.550 -0.000 0.000 0.287 473 Y C 1.690 177.522 175.900 -0.112 0.000 1.134 473 Y CA 1.286 59.340 58.100 -0.077 0.000 1.133 473 Y CB -0.633 37.836 38.460 0.015 0.000 0.987 473 Y HN 0.158 nan 8.280 nan 0.000 0.502 474 L N 0.484 121.384 121.223 -0.538 0.000 2.549 474 L HA -0.047 4.292 4.340 -0.000 0.000 0.229 474 L C 2.440 179.119 176.870 -0.320 0.000 1.158 474 L CA 1.371 55.871 54.840 -0.568 0.000 0.842 474 L CB -0.970 40.692 42.059 -0.662 0.000 0.952 474 L HN 0.264 nan 8.230 nan 0.000 0.452 475 K N -0.950 119.303 120.400 -0.245 0.000 2.313 475 K HA 0.103 4.423 4.320 -0.000 0.000 0.197 475 K C 2.157 178.679 176.600 -0.130 0.000 1.061 475 K CA 0.962 57.151 56.287 -0.163 0.000 0.980 475 K CB -0.417 32.003 32.500 -0.133 0.000 0.888 475 K HN 0.107 nan 8.250 nan 0.000 0.502 476 S N 1.480 117.111 115.700 -0.115 0.000 2.329 476 S HA -0.117 4.353 4.470 -0.000 0.000 0.215 476 S C 1.466 175.997 174.600 -0.115 0.000 1.031 476 S CA 1.604 59.761 58.200 -0.071 0.000 0.985 476 S CB -0.167 63.037 63.200 0.006 0.000 0.917 476 S HN 0.680 nan 8.310 nan 0.000 0.441 477 N N 0.186 118.776 118.700 -0.182 0.000 2.299 477 N HA 0.137 4.877 4.740 -0.000 0.000 0.187 477 N C 0.050 175.219 175.510 -0.567 0.000 1.099 477 N CA 0.412 53.272 53.050 -0.318 0.000 0.867 477 N CB 0.172 38.496 38.487 -0.271 0.000 0.974 477 N HN 0.464 nan 8.380 nan 0.000 0.477 478 H N -1.244 117.653 119.070 -0.290 0.000 2.777 478 H HA 0.259 4.815 4.556 -0.000 0.000 0.244 478 H C 0.324 175.516 175.328 -0.227 0.000 1.185 478 H CA -0.189 55.688 56.048 -0.286 0.000 0.945 478 H CB 0.054 29.554 29.762 -0.436 0.000 1.994 478 H HN 0.200 nan 8.280 nan 0.000 0.638 479 N N 0.790 119.426 118.700 -0.106 0.000 2.364 479 N HA -0.122 4.618 4.740 -0.000 0.000 0.183 479 N C 1.677 177.142 175.510 -0.076 0.000 1.022 479 N CA 0.491 53.483 53.050 -0.096 0.000 0.883 479 N CB 0.443 38.875 38.487 -0.092 0.000 0.965 479 N HN 0.259 nan 8.380 nan 0.000 0.438 480 E N 0.433 120.594 120.200 -0.065 0.000 2.147 480 E HA -0.231 4.118 4.350 -0.000 0.000 0.199 480 E C 1.674 178.245 176.600 -0.047 0.000 1.005 480 E CA 0.813 57.184 56.400 -0.049 0.000 0.810 480 E CB -0.161 29.516 29.700 -0.038 0.000 0.736 480 E HN 0.443 nan 8.360 nan 0.000 0.460 481 L N 0.282 121.472 121.223 -0.055 0.000 2.131 481 L HA -0.043 4.297 4.340 -0.000 0.000 0.206 481 L C 2.452 179.270 176.870 -0.087 0.000 1.087 481 L CA 0.799 55.594 54.840 -0.075 0.000 0.767 481 L CB -0.692 41.302 42.059 -0.109 0.000 0.917 481 L HN 0.155 nan 8.230 nan 0.000 0.441 482 L N -0.943 120.222 121.223 -0.096 0.000 2.109 482 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 482 L C 2.444 179.276 176.870 -0.065 0.000 1.086 482 L CA 1.234 56.019 54.840 -0.091 0.000 0.760 482 L CB -1.058 40.937 42.059 -0.108 0.000 0.910 482 L HN 0.228 nan 8.230 nan 0.000 0.437 483 T N -0.863 113.656 114.554 -0.059 0.000 2.737 483 T HA -0.195 4.155 4.350 -0.000 0.000 0.269 483 T C 1.782 176.463 174.700 -0.032 0.000 1.040 483 T CA 1.242 63.316 62.100 -0.044 0.000 1.142 483 T CB -0.148 68.695 68.868 -0.041 0.000 0.861 483 T HN 0.309 nan 8.240 nan 0.000 0.456 484 E N 0.686 120.864 120.200 -0.036 0.000 2.015 484 E HA -0.049 4.301 4.350 -0.000 0.000 0.191 484 E C 2.343 178.930 176.600 -0.022 0.000 0.991 484 E CA 0.998 57.381 56.400 -0.028 0.000 0.802 484 E CB -0.296 29.384 29.700 -0.034 0.000 0.759 484 E HN 0.504 nan 8.360 nan 0.000 0.447 485 I N 0.686 121.237 120.570 -0.031 0.000 2.179 485 I HA -0.272 3.898 4.170 -0.000 0.000 0.242 485 I C 2.837 178.953 176.117 -0.002 0.000 1.088 485 I CA 1.086 62.373 61.300 -0.021 0.000 1.357 485 I CB -0.313 37.665 38.000 -0.036 0.000 1.051 485 I HN 0.024 nan 8.210 nan 0.000 0.409 486 R N 0.945 121.442 120.500 -0.006 0.000 2.091 486 R HA -0.244 4.096 4.340 -0.000 0.000 0.238 486 R C 2.186 178.504 176.300 0.029 0.000 1.136 486 R CA 2.010 58.119 56.100 0.014 0.000 0.959 486 R CB -0.095 30.200 30.300 -0.009 0.000 0.856 486 R HN 0.336 nan 8.270 nan 0.000 0.437 487 E N -0.165 120.043 120.200 0.013 0.000 2.033 487 E HA -0.087 4.263 4.350 -0.000 0.000 0.189 487 E C 1.864 178.476 176.600 0.020 0.000 0.979 487 E CA 0.902 57.313 56.400 0.017 0.000 0.802 487 E CB 0.246 29.949 29.700 0.005 0.000 0.763 487 E HN 0.098 nan 8.360 nan 0.000 0.449 488 K N -0.591 119.815 120.400 0.011 0.000 2.057 488 K HA -0.063 4.257 4.320 -0.000 0.000 0.207 488 K C 1.291 177.900 176.600 0.016 0.000 1.049 488 K CA 1.093 57.386 56.287 0.010 0.000 0.931 488 K CB -0.294 32.208 32.500 0.003 0.000 0.714 488 K HN 0.376 nan 8.250 nan 0.000 0.440 489 G N 2.012 110.823 108.800 0.020 0.000 2.179 489 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.257 489 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.257 489 G C -0.068 174.842 174.900 0.017 0.000 1.010 489 G CA 1.073 46.187 45.100 0.024 0.000 0.736 489 G HN 0.428 nan 8.290 nan 0.000 0.513 490 E N -1.792 118.415 120.200 0.012 0.000 2.429 490 E HA 0.682 5.032 4.350 -0.000 0.000 0.280 490 E C -1.037 175.567 176.600 0.007 0.000 1.068 490 E CA -0.979 55.428 56.400 0.012 0.000 0.837 490 E CB 1.181 30.887 29.700 0.011 0.000 1.357 490 E HN 0.219 nan 8.360 nan 0.000 0.455 491 L N 1.912 123.141 121.223 0.011 0.000 2.385 491 L HA 0.523 4.863 4.340 -0.000 0.000 0.273 491 L C -0.151 176.726 176.870 0.012 0.000 0.990 491 L CA -0.711 54.134 54.840 0.008 0.000 0.821 491 L CB 1.887 43.956 42.059 0.016 0.000 1.279 491 L HN 0.579 nan 8.230 nan 0.000 0.412 492 S N 1.023 116.727 115.700 0.006 0.000 2.707 492 S HA 0.508 4.978 4.470 -0.000 0.000 0.276 492 S C 1.108 175.717 174.600 0.016 0.000 1.179 492 S CA 0.010 58.217 58.200 0.010 0.000 0.992 492 S CB 1.594 64.797 63.200 0.006 0.000 1.030 492 S HN 0.621 nan 8.310 nan 0.000 0.554 493 K N 0.396 120.808 120.400 0.020 0.000 2.147 493 K HA -0.078 4.242 4.320 -0.000 0.000 0.205 493 K C 1.767 178.381 176.600 0.023 0.000 1.049 493 K CA 2.137 58.441 56.287 0.027 0.000 0.936 493 K CB -1.470 31.045 32.500 0.026 0.000 0.722 493 K HN 0.811 nan 8.250 nan 0.000 0.446 494 E N 0.586 120.794 120.200 0.013 0.000 2.007 494 E HA -0.064 4.286 4.350 -0.000 0.000 0.194 494 E C 2.062 178.659 176.600 -0.005 0.000 0.999 494 E CA 1.453 57.857 56.400 0.007 0.000 0.811 494 E CB -0.346 29.356 29.700 0.003 0.000 0.762 494 E HN 0.470 nan 8.360 nan 0.000 0.450 495 L N 0.281 121.495 121.223 -0.016 0.000 2.129 495 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 495 L C 2.358 179.188 176.870 -0.067 0.000 1.087 495 L CA 0.818 55.632 54.840 -0.043 0.000 0.757 495 L CB -0.469 41.566 42.059 -0.039 0.000 0.896 495 L HN 0.150 nan 8.230 nan 0.000 0.434 496 L N -0.564 120.647 121.223 -0.020 0.000 2.005 496 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 496 L C 2.820 179.704 176.870 0.024 0.000 1.072 496 L CA 1.358 56.208 54.840 0.016 0.000 0.744 496 L CB -0.611 41.508 42.059 0.100 0.000 0.895 496 L HN 0.197 nan 8.230 nan 0.000 0.433 497 A N -1.107 121.737 122.820 0.040 0.000 1.969 497 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 497 A C 2.456 180.048 177.584 0.014 0.000 1.169 497 A CA 1.731 53.800 52.037 0.054 0.000 0.635 497 A CB -0.507 18.523 19.000 0.051 0.000 0.810 497 A HN 0.381 nan 8.150 nan 0.000 0.445 498 S N -0.290 115.396 115.700 -0.024 0.000 2.368 498 S HA -0.138 4.332 4.470 -0.000 0.000 0.225 498 S C 1.817 176.346 174.600 -0.117 0.000 1.030 498 S CA 1.464 59.635 58.200 -0.048 0.000 0.999 498 S CB -0.401 62.768 63.200 -0.051 0.000 0.844 498 S HN 0.421 nan 8.310 nan 0.000 0.459 499 L N 2.119 123.218 121.223 -0.206 0.000 2.046 499 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 499 L C 2.759 179.469 176.870 -0.267 0.000 1.077 499 L CA 2.261 56.882 54.840 -0.363 0.000 0.747 499 L CB -0.933 40.715 42.059 -0.686 0.000 0.896 499 L HN 0.354 nan 8.230 nan 0.000 0.432 500 K N -1.454 118.882 120.400 -0.107 0.000 2.103 500 K HA -0.187 4.133 4.320 -0.000 0.000 0.207 500 K C 2.386 179.040 176.600 0.091 0.000 1.048 500 K CA 1.826 58.187 56.287 0.124 0.000 0.930 500 K CB -1.512 31.136 32.500 0.247 0.000 0.716 500 K HN 0.434 nan 8.250 nan 0.000 0.444 501 S N -0.392 115.336 115.700 0.047 0.000 2.368 501 S HA 0.052 4.522 4.470 -0.000 0.000 0.224 501 S C 2.336 176.985 174.600 0.081 0.000 1.029 501 S CA 1.412 59.654 58.200 0.069 0.000 0.988 501 S CB -0.380 62.854 63.200 0.057 0.000 0.838 501 S HN 0.775 nan 8.310 nan 0.000 0.462 502 A N 0.005 122.813 122.820 -0.020 0.000 2.021 502 A HA 0.103 4.423 4.320 -0.000 0.000 0.216 502 A C 2.213 179.930 177.584 0.222 0.000 1.163 502 A CA 1.533 53.547 52.037 -0.038 0.000 0.676 502 A CB -0.924 17.666 19.000 -0.682 0.000 0.818 502 A HN 0.550 nan 8.150 nan 0.000 0.453 503 T N -0.018 114.622 114.554 0.144 0.000 2.668 503 T HA 0.051 4.401 4.350 -0.000 0.000 0.258 503 T C 2.193 177.016 174.700 0.205 0.000 1.051 503 T CA 1.825 64.043 62.100 0.197 0.000 1.155 503 T CB -0.498 68.329 68.868 -0.068 0.000 0.864 503 T HN 0.681 nan 8.240 nan 0.000 0.413 504 E N 0.937 121.239 120.200 0.171 0.000 2.472 504 E HA -0.001 4.349 4.350 -0.000 0.000 0.200 504 E C 2.067 178.788 176.600 0.200 0.000 1.046 504 E CA 1.128 57.676 56.400 0.245 0.000 0.871 504 E CB -0.822 29.037 29.700 0.264 0.000 0.806 504 E HN 0.421 nan 8.360 nan 0.000 0.533 505 S N -1.708 114.125 115.700 0.223 0.000 2.446 505 S HA 0.102 4.572 4.470 -0.000 0.000 0.225 505 S C 1.459 176.154 174.600 0.158 0.000 1.016 505 S CA 0.471 58.787 58.200 0.194 0.000 0.943 505 S CB -0.360 62.993 63.200 0.255 0.000 0.786 505 S HN 0.618 nan 8.310 nan 0.000 0.508 506 F N 1.010 121.025 119.950 0.109 0.000 2.710 506 F HA 0.212 4.739 4.527 -0.000 0.000 0.298 506 F C 1.850 177.701 175.800 0.085 0.000 1.137 506 F CA 0.236 58.273 58.000 0.061 0.000 1.444 506 F CB -0.063 39.115 39.000 0.297 0.000 1.111 506 F HN 0.007 nan 8.300 nan 0.000 0.580 507 V N 0.565 120.595 119.914 0.193 0.000 2.546 507 V HA -0.191 3.929 4.120 -0.000 0.000 0.254 507 V C 1.477 177.571 176.094 0.001 0.000 1.076 507 V CA 1.520 63.893 62.300 0.122 0.000 1.087 507 V CB -0.878 31.032 31.823 0.145 0.000 0.674 507 V HN 0.314 nan 8.190 nan 0.000 0.470 508 A N -0.153 122.627 122.820 -0.067 0.000 3.157 508 A HA 0.539 4.859 4.320 -0.000 0.000 0.276 508 A C 0.558 178.017 177.584 -0.208 0.000 1.524 508 A CA 0.580 52.555 52.037 -0.103 0.000 1.236 508 A CB -0.598 18.359 19.000 -0.071 0.000 1.173 508 A HN 0.565 nan 8.150 nan 0.000 0.595 509 T N 0.000 114.411 114.554 -0.238 0.000 3.816 509 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 509 T CA 0.000 61.915 62.100 -0.308 0.000 1.349 509 T CB 0.000 68.767 68.868 -0.168 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658