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 3prl_1_C DATA FIRST_RESID 9 DATA SEQUENCE QFNANILRNG EWVESRTGER ISISAPASGV ALGSIPALSQ EEVNDAIQGA DATA SEQUENCE KDAQKIWKIR PIHERVDLLY AWADLLEERK EIIGELIMHE VAKPKKSAIG DATA SEQUENCE EVSRTADIIR HTADEALRLN GETLKGDQFK GGSSKKIALV EREPLGVVLA DATA SEQUENCE ISPFNYPVNL AAAKIAPALV TGNTVVFKPA TQGSLSGIKM VEALADAGAP DATA SEQUENCE EGIIQVVTGR GSVIGDHLVE HPGIDMITFT GGTTTGERIS EKAKMIPVVL DATA SEQUENCE ELGGKDPAIV LDDADLKLTA SQIVSGAFSY SGQRCTAIKR VFVQDSVADQ DATA SEQUENCE LVANIKELVE QLTVGSPEDD ADITPVIDEK SAAFIQGLID DALENGATLL DATA SEQUENCE SGNKRQGNLL SPTLLDDVTP AMRVAWEEPF GPVLPIIRVK DANEAISLSN DATA SEQUENCE QSDYGLQASI FTKDTDRAIN IGKHLEVGTV HINAKTERGP DHFPFLGVKK DATA SEQUENCE SGLGVQGIKP SLLSMTRERV TVLNL 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 9 Q HA 0.000 nan 4.340 nan 0.000 0.214 9 Q C 0.000 176.089 176.000 0.149 0.000 1.003 9 Q CA 0.000 55.845 55.803 0.070 0.000 1.022 9 Q CB 0.000 28.757 28.738 0.032 0.000 1.108 10 F N 4.467 124.404 119.950 -0.020 0.000 2.334 10 F HA 0.526 5.054 4.527 0.001 0.000 0.365 10 F C -0.211 175.582 175.800 -0.012 0.000 1.124 10 F CA -0.625 57.363 58.000 -0.019 0.000 1.166 10 F CB 0.634 39.625 39.000 -0.016 0.000 1.355 10 F HN 0.362 nan 8.300 nan 0.000 0.532 11 N N 6.131 124.713 118.700 -0.197 0.000 3.034 11 N HA 0.200 4.941 4.740 0.001 0.000 0.265 11 N C -0.131 175.106 175.510 -0.455 0.000 1.166 11 N CA -0.038 52.849 53.050 -0.272 0.000 1.081 11 N CB 1.121 39.544 38.487 -0.108 0.000 1.378 11 N HN 0.583 nan 8.380 nan 0.000 0.520 12 A N 1.950 124.262 122.820 -0.847 0.000 2.371 12 A HA 0.326 4.646 4.320 0.001 0.000 0.257 12 A C 0.563 177.969 177.584 -0.296 0.000 1.089 12 A CA -0.292 51.182 52.037 -0.938 0.000 0.794 12 A CB 0.544 18.811 19.000 -1.221 0.000 1.029 12 A HN 0.409 nan 8.150 nan 0.000 0.488 13 N N -0.801 117.858 118.700 -0.069 0.000 2.485 13 N HA 0.658 5.399 4.740 0.001 0.000 0.280 13 N C -0.424 175.290 175.510 0.340 0.000 1.205 13 N CA -0.427 52.706 53.050 0.139 0.000 0.959 13 N CB 1.137 39.764 38.487 0.233 0.000 1.206 13 N HN 0.667 nan 8.380 nan 0.000 0.545 14 I N -1.953 118.766 120.570 0.250 0.000 2.750 14 I HA 0.591 4.762 4.170 0.001 0.000 0.308 14 I C -0.783 175.276 176.117 -0.096 0.000 1.016 14 I CA -1.027 60.364 61.300 0.152 0.000 1.098 14 I CB 1.099 39.115 38.000 0.026 0.000 1.279 14 I HN 0.202 nan 8.210 nan 0.000 0.454 15 L N 3.994 124.973 121.223 -0.406 0.000 2.272 15 L HA 0.652 4.993 4.340 0.001 0.000 0.289 15 L C -0.520 176.103 176.870 -0.410 0.000 1.032 15 L CA -0.126 54.247 54.840 -0.779 0.000 0.810 15 L CB 0.741 42.075 42.059 -1.209 0.000 1.205 15 L HN 0.847 nan 8.230 nan 0.000 0.422 16 R N 4.228 124.521 120.500 -0.346 0.000 2.515 16 R HA 0.360 4.701 4.340 0.001 0.000 0.291 16 R C -0.596 175.584 176.300 -0.200 0.000 1.046 16 R CA -0.462 55.506 56.100 -0.220 0.000 0.914 16 R CB 0.719 30.934 30.300 -0.142 0.000 1.191 16 R HN 0.791 nan 8.270 nan 0.000 0.435 17 N N 2.946 121.538 118.700 -0.181 0.000 2.727 17 N HA -0.217 4.523 4.740 0.001 0.000 0.249 17 N C 0.545 175.961 175.510 -0.156 0.000 1.048 17 N CA 1.786 54.747 53.050 -0.147 0.000 0.714 17 N CB -1.051 37.377 38.487 -0.100 0.000 0.959 17 N HN 1.109 nan 8.380 nan 0.000 0.544 18 G N -1.055 107.612 108.800 -0.221 0.000 2.175 18 G HA2 -0.315 3.646 3.960 0.001 0.000 0.244 18 G HA3 -0.315 3.646 3.960 0.001 0.000 0.244 18 G C -0.213 174.562 174.900 -0.209 0.000 0.982 18 G CA 0.670 45.648 45.100 -0.203 0.000 0.641 18 G HN 0.837 nan 8.290 nan 0.000 0.527 19 E N -0.899 119.155 120.200 -0.243 0.000 2.277 19 E HA 0.592 4.942 4.350 0.001 0.000 0.266 19 E C -1.057 175.377 176.600 -0.277 0.000 0.901 19 E CA -1.599 54.700 56.400 -0.167 0.000 0.782 19 E CB 1.177 30.855 29.700 -0.036 0.000 1.228 19 E HN 0.227 nan 8.360 nan 0.000 0.424 20 W N 2.525 123.825 121.300 -0.001 0.000 2.342 20 W HA 0.397 5.058 4.660 0.001 0.000 0.310 20 W C -0.248 176.269 176.519 -0.003 0.000 1.128 20 W CA -0.409 56.939 57.345 0.004 0.000 1.322 20 W CB 1.303 30.776 29.460 0.022 0.000 1.251 20 W HN 0.441 nan 8.180 nan 0.000 0.439 21 V N 0.108 120.101 119.914 0.131 0.000 3.046 21 V HA 0.616 4.737 4.120 0.001 0.000 0.316 21 V C -0.543 175.588 176.094 0.061 0.000 1.104 21 V CA -1.433 60.909 62.300 0.071 0.000 1.006 21 V CB 1.920 33.748 31.823 0.009 0.000 1.058 21 V HN 0.473 nan 8.190 nan 0.000 0.440 22 E N 0.788 121.009 120.200 0.035 0.000 2.232 22 E HA 0.525 4.876 4.350 0.001 0.000 0.265 22 E C -0.086 176.516 176.600 0.003 0.000 1.001 22 E CA -0.587 55.823 56.400 0.017 0.000 0.870 22 E CB 1.936 31.643 29.700 0.011 0.000 1.175 22 E HN 1.028 nan 8.360 nan 0.000 0.407 23 S N 1.067 116.764 115.700 -0.005 0.000 2.568 23 S HA 0.024 4.495 4.470 0.001 0.000 0.282 23 S C 0.993 175.589 174.600 -0.007 0.000 1.338 23 S CA 0.093 58.288 58.200 -0.009 0.000 1.045 23 S CB 0.532 63.724 63.200 -0.013 0.000 0.873 23 S HN 0.602 nan 8.310 nan 0.000 0.516 24 R N 1.358 121.853 120.500 -0.009 0.000 2.120 24 R HA -0.069 4.272 4.340 0.001 0.000 0.234 24 R C 2.480 178.775 176.300 -0.008 0.000 1.123 24 R CA 1.793 57.889 56.100 -0.007 0.000 0.975 24 R CB -0.667 29.628 30.300 -0.008 0.000 0.866 24 R HN 0.780 nan 8.270 nan 0.000 0.446 25 T N -1.678 112.870 114.554 -0.010 0.000 2.951 25 T HA 0.017 4.368 4.350 0.001 0.000 0.268 25 T C 1.398 176.092 174.700 -0.009 0.000 1.073 25 T CA 1.429 63.523 62.100 -0.010 0.000 1.134 25 T CB -0.064 68.796 68.868 -0.012 0.000 0.884 25 T HN 0.527 nan 8.240 nan 0.000 0.479 26 G N 1.344 110.138 108.800 -0.010 0.000 2.195 26 G HA2 -0.244 3.717 3.960 0.001 0.000 0.246 26 G HA3 -0.244 3.717 3.960 0.001 0.000 0.246 26 G C -0.043 174.849 174.900 -0.014 0.000 0.984 26 G CA 0.388 45.482 45.100 -0.010 0.000 0.633 26 G HN 0.900 nan 8.290 nan 0.000 0.525 27 E N 0.723 120.914 120.200 -0.014 0.000 2.392 27 E HA 0.584 4.934 4.350 0.001 0.000 0.264 27 E C 0.259 176.847 176.600 -0.020 0.000 1.024 27 E CA -0.244 56.147 56.400 -0.016 0.000 0.903 27 E CB 0.702 30.393 29.700 -0.015 0.000 0.963 27 E HN 0.521 nan 8.360 nan 0.000 0.432 28 R N 2.539 123.026 120.500 -0.022 0.000 2.836 28 R HA 0.569 4.909 4.340 0.001 0.000 0.269 28 R C -0.725 175.559 176.300 -0.025 0.000 1.010 28 R CA -1.007 55.076 56.100 -0.028 0.000 0.930 28 R CB 1.648 31.927 30.300 -0.036 0.000 1.218 28 R HN 0.545 nan 8.270 nan 0.000 0.473 29 I N 0.497 121.050 120.570 -0.028 0.000 2.474 29 I HA 0.255 4.425 4.170 0.001 0.000 0.294 29 I C -0.270 175.833 176.117 -0.024 0.000 1.005 29 I CA -0.415 60.872 61.300 -0.022 0.000 1.113 29 I CB 2.305 40.294 38.000 -0.018 0.000 1.289 29 I HN 0.417 nan 8.210 nan 0.000 0.436 30 S N 6.224 121.913 115.700 -0.018 0.000 2.537 30 S HA 0.600 5.071 4.470 0.001 0.000 0.275 30 S C -0.259 174.337 174.600 -0.008 0.000 1.272 30 S CA -0.367 57.823 58.200 -0.015 0.000 1.050 30 S CB 0.661 63.854 63.200 -0.013 0.000 0.961 30 S HN 0.307 nan 8.310 nan 0.000 0.496 31 I N 2.101 122.670 120.570 -0.003 0.000 2.498 31 I HA 0.399 4.570 4.170 0.001 0.000 0.290 31 I C -0.209 175.917 176.117 0.016 0.000 1.032 31 I CA -0.311 60.996 61.300 0.012 0.000 1.073 31 I CB 2.141 40.157 38.000 0.026 0.000 1.251 31 I HN 0.466 nan 8.210 nan 0.000 0.426 32 S N 3.187 118.897 115.700 0.017 0.000 2.568 32 S HA 0.672 5.142 4.470 0.001 0.000 0.293 32 S C -0.250 174.369 174.600 0.032 0.000 1.089 32 S CA -0.641 57.569 58.200 0.017 0.000 0.945 32 S CB 2.068 65.272 63.200 0.007 0.000 1.077 32 S HN 0.696 nan 8.310 nan 0.000 0.485 33 A N 2.914 125.758 122.820 0.040 0.000 2.491 33 A HA 0.363 4.684 4.320 0.001 0.000 0.261 33 A C -1.809 175.805 177.584 0.050 0.000 1.101 33 A CA -0.853 51.226 52.037 0.071 0.000 0.772 33 A CB -0.413 18.646 19.000 0.098 0.000 1.043 33 A HN 0.530 nan 8.150 nan 0.000 0.501 34 P HA -0.184 nan 4.420 nan 0.000 0.218 34 P C 1.545 178.861 177.300 0.027 0.000 1.148 34 P CA 2.102 65.213 63.100 0.018 0.000 0.822 34 P CB 0.265 31.969 31.700 0.006 0.000 0.784 35 A N -1.916 120.934 122.820 0.050 0.000 2.067 35 A HA -0.017 4.304 4.320 0.001 0.000 0.217 35 A C 2.320 179.929 177.584 0.042 0.000 1.156 35 A CA 1.849 53.914 52.037 0.047 0.000 0.683 35 A CB -0.817 18.220 19.000 0.062 0.000 0.808 35 A HN 0.163 nan 8.150 nan 0.000 0.455 36 S N -3.542 112.185 115.700 0.045 0.000 2.830 36 S HA 0.405 4.876 4.470 0.001 0.000 0.249 36 S C 1.340 175.953 174.600 0.020 0.000 1.084 36 S CA 1.221 59.443 58.200 0.036 0.000 0.852 36 S CB 0.382 63.610 63.200 0.047 0.000 0.802 36 S HN 1.587 nan 8.310 nan 0.000 0.481 37 G N 0.805 109.616 108.800 0.018 0.000 2.195 37 G HA2 -0.215 3.746 3.960 0.001 0.000 0.246 37 G HA3 -0.215 3.746 3.960 0.001 0.000 0.246 37 G C 0.095 174.997 174.900 0.003 0.000 0.984 37 G CA 0.202 45.307 45.100 0.008 0.000 0.633 37 G HN 0.589 nan 8.290 nan 0.000 0.525 38 V N 1.800 121.715 119.914 0.002 0.000 2.614 38 V HA 0.579 4.700 4.120 0.001 0.000 0.291 38 V C 1.304 177.389 176.094 -0.015 0.000 1.049 38 V CA -0.115 62.177 62.300 -0.013 0.000 1.038 38 V CB 1.240 33.044 31.823 -0.030 0.000 0.980 38 V HN 1.292 nan 8.190 nan 0.000 0.481 39 A N 5.289 128.100 122.820 -0.016 0.000 2.545 39 A HA 0.285 4.606 4.320 0.001 0.000 0.253 39 A C 0.870 178.445 177.584 -0.015 0.000 1.074 39 A CA 0.155 52.185 52.037 -0.012 0.000 0.760 39 A CB -0.177 18.817 19.000 -0.011 0.000 1.005 39 A HN 0.906 nan 8.150 nan 0.000 0.506 40 L N 2.433 123.657 121.223 0.001 0.000 2.316 40 L HA 0.391 4.732 4.340 0.001 0.000 0.207 40 L C 1.403 178.302 176.870 0.048 0.000 1.070 40 L CA 0.879 55.729 54.840 0.015 0.000 0.820 40 L CB -0.084 42.000 42.059 0.042 0.000 0.992 40 L HN 0.899 nan 8.230 nan 0.000 0.466 41 G N -0.827 107.991 108.800 0.030 0.000 2.356 41 G HA2 0.355 4.315 3.960 0.001 0.000 0.281 41 G HA3 0.355 4.315 3.960 0.001 0.000 0.281 41 G C -1.607 173.272 174.900 -0.036 0.000 1.246 41 G CA 0.239 45.343 45.100 0.007 0.000 0.889 41 G HN 0.094 nan 8.290 nan 0.000 0.486 42 S N -1.261 114.379 115.700 -0.100 0.000 2.570 42 S HA 0.798 5.269 4.470 0.001 0.000 0.270 42 S C -0.760 173.750 174.600 -0.150 0.000 1.149 42 S CA -0.288 57.854 58.200 -0.096 0.000 0.837 42 S CB 1.637 64.791 63.200 -0.076 0.000 1.124 42 S HN 1.829 nan 8.310 nan 0.000 0.465 43 I N -2.123 118.388 120.570 -0.098 0.000 2.892 43 I HA 0.747 4.918 4.170 0.001 0.000 0.306 43 I C -3.198 172.882 176.117 -0.061 0.000 1.078 43 I CA -3.187 58.057 61.300 -0.093 0.000 1.032 43 I CB 2.034 39.999 38.000 -0.058 0.000 1.229 43 I HN 0.307 nan 8.210 nan 0.000 0.435 44 P HA 0.193 nan 4.420 nan 0.000 0.271 44 P C -0.845 176.439 177.300 -0.027 0.000 1.216 44 P CA -0.159 62.922 63.100 -0.031 0.000 0.776 44 P CB 0.915 32.604 31.700 -0.018 0.000 0.881 45 A N 4.647 127.453 122.820 -0.023 0.000 2.294 45 A HA 0.427 4.747 4.320 0.001 0.000 0.316 45 A C -0.190 177.383 177.584 -0.017 0.000 1.359 45 A CA -0.469 51.556 52.037 -0.019 0.000 0.956 45 A CB -0.644 18.345 19.000 -0.018 0.000 1.155 45 A HN 0.486 nan 8.150 nan 0.000 0.544 46 L N 2.477 123.690 121.223 -0.016 0.000 2.357 46 L HA 0.470 4.811 4.340 0.001 0.000 0.273 46 L C 1.067 177.931 176.870 -0.011 0.000 1.080 46 L CA -0.447 54.385 54.840 -0.014 0.000 0.803 46 L CB 1.750 43.800 42.059 -0.015 0.000 1.174 46 L HN 0.815 nan 8.230 nan 0.000 0.443 47 S N 0.632 116.323 115.700 -0.014 0.000 2.707 47 S HA 0.229 4.700 4.470 0.001 0.000 0.276 47 S C 0.592 175.180 174.600 -0.020 0.000 1.179 47 S CA -0.685 57.500 58.200 -0.024 0.000 0.992 47 S CB 1.413 64.595 63.200 -0.029 0.000 1.030 47 S HN 0.686 nan 8.310 nan 0.000 0.554 48 Q N 0.220 119.977 119.800 -0.071 0.000 2.135 48 Q HA -0.179 4.161 4.340 0.001 0.000 0.204 48 Q C 1.752 177.747 176.000 -0.009 0.000 0.981 48 Q CA 1.972 57.688 55.803 -0.145 0.000 0.856 48 Q CB -0.304 28.167 28.738 -0.444 0.000 0.902 48 Q HN 0.782 nan 8.270 nan 0.000 0.425 49 E N 0.635 120.824 120.200 -0.019 0.000 2.150 49 E HA -0.164 4.186 4.350 0.001 0.000 0.193 49 E C 1.511 178.130 176.600 0.033 0.000 0.985 49 E CA 1.007 57.419 56.400 0.019 0.000 0.814 49 E CB 0.088 29.787 29.700 -0.003 0.000 0.752 49 E HN 0.355 nan 8.360 nan 0.000 0.466 50 E N -0.351 119.860 120.200 0.018 0.000 2.230 50 E HA -0.048 4.303 4.350 0.001 0.000 0.192 50 E C 1.919 178.524 176.600 0.008 0.000 0.987 50 E CA 0.331 56.734 56.400 0.005 0.000 0.841 50 E CB 0.237 29.932 29.700 -0.008 0.000 0.783 50 E HN 0.020 nan 8.360 nan 0.000 0.481 51 V N 2.188 122.127 119.914 0.041 0.000 2.255 51 V HA -0.320 3.800 4.120 0.001 0.000 0.247 51 V C 1.775 177.873 176.094 0.007 0.000 1.051 51 V CA 1.922 64.250 62.300 0.047 0.000 1.018 51 V CB -0.534 31.389 31.823 0.167 0.000 0.641 51 V HN 0.308 nan 8.190 nan 0.000 0.445 52 N N 0.270 119.036 118.700 0.110 0.000 2.149 52 N HA -0.168 4.572 4.740 0.001 0.000 0.188 52 N C 1.534 177.058 175.510 0.023 0.000 1.019 52 N CA 1.651 54.767 53.050 0.111 0.000 0.857 52 N CB -0.567 38.049 38.487 0.215 0.000 0.997 52 N HN 0.496 nan 8.380 nan 0.000 0.426 53 D N 0.576 120.984 120.400 0.013 0.000 2.117 53 D HA -0.049 4.592 4.640 0.001 0.000 0.197 53 D C 1.814 178.088 176.300 -0.044 0.000 0.987 53 D CA 1.202 55.195 54.000 -0.012 0.000 0.829 53 D CB -0.281 40.511 40.800 -0.014 0.000 0.961 53 D HN 0.252 nan 8.370 nan 0.000 0.460 54 A N 0.606 123.389 122.820 -0.062 0.000 1.872 54 A HA -0.091 4.229 4.320 0.001 0.000 0.214 54 A C 2.390 179.912 177.584 -0.103 0.000 1.187 54 A CA 0.759 52.744 52.037 -0.086 0.000 0.614 54 A CB -0.726 18.221 19.000 -0.088 0.000 0.826 54 A HN 0.156 nan 8.150 nan 0.000 0.442 55 I N -0.381 120.103 120.570 -0.143 0.000 2.163 55 I HA -0.318 3.853 4.170 0.001 0.000 0.243 55 I C 2.779 178.833 176.117 -0.104 0.000 1.085 55 I CA 1.372 62.563 61.300 -0.182 0.000 1.347 55 I CB -0.294 37.460 38.000 -0.411 0.000 1.044 55 I HN 0.298 nan 8.210 nan 0.000 0.408 56 Q N 0.519 120.279 119.800 -0.066 0.000 2.061 56 Q HA -0.156 4.184 4.340 0.001 0.000 0.204 56 Q C 2.388 178.370 176.000 -0.031 0.000 0.984 56 Q CA 1.929 57.719 55.803 -0.022 0.000 0.846 56 Q CB -1.056 27.683 28.738 0.002 0.000 0.902 56 Q HN 0.615 nan 8.270 nan 0.000 0.421 57 G N 0.578 109.351 108.800 -0.046 0.000 2.442 57 G HA2 -0.219 3.742 3.960 0.001 0.000 0.219 57 G HA3 -0.219 3.742 3.960 0.001 0.000 0.219 57 G C 1.540 176.402 174.900 -0.063 0.000 1.141 57 G CA 1.405 46.472 45.100 -0.055 0.000 0.763 57 G HN 0.475 nan 8.290 nan 0.000 0.554 58 A N 0.590 123.367 122.820 -0.072 0.000 1.898 58 A HA 0.064 4.385 4.320 0.001 0.000 0.216 58 A C 2.293 179.854 177.584 -0.038 0.000 1.181 58 A CA 1.913 53.907 52.037 -0.073 0.000 0.620 58 A CB -0.328 18.624 19.000 -0.079 0.000 0.819 58 A HN 0.370 nan 8.150 nan 0.000 0.442 59 K N -0.180 120.204 120.400 -0.027 0.000 2.009 59 K HA -0.178 4.142 4.320 0.001 0.000 0.210 59 K C 1.680 178.283 176.600 0.006 0.000 1.049 59 K CA 1.676 57.962 56.287 -0.002 0.000 0.929 59 K CB -0.305 32.198 32.500 0.004 0.000 0.714 59 K HN 0.388 nan 8.250 nan 0.000 0.440 60 D N 0.462 120.860 120.400 -0.003 0.000 2.106 60 D HA -0.192 4.448 4.640 0.001 0.000 0.191 60 D C 1.806 178.113 176.300 0.010 0.000 0.997 60 D CA 1.690 55.691 54.000 0.002 0.000 0.834 60 D CB -0.330 40.466 40.800 -0.007 0.000 0.956 60 D HN 0.268 nan 8.370 nan 0.000 0.448 61 A N 0.611 123.428 122.820 -0.004 0.000 1.969 61 A HA -0.181 4.140 4.320 0.001 0.000 0.218 61 A C 2.075 179.699 177.584 0.067 0.000 1.169 61 A CA 1.218 53.258 52.037 0.006 0.000 0.635 61 A CB -0.512 18.453 19.000 -0.058 0.000 0.810 61 A HN 0.135 nan 8.150 nan 0.000 0.445 62 Q N 0.286 120.123 119.800 0.061 0.000 2.234 62 Q HA -0.188 4.153 4.340 0.001 0.000 0.206 62 Q C 1.572 177.647 176.000 0.124 0.000 0.980 62 Q CA 1.570 57.447 55.803 0.123 0.000 0.869 62 Q CB -0.141 28.646 28.738 0.082 0.000 0.912 62 Q HN 0.701 nan 8.270 nan 0.000 0.436 63 K N -0.357 120.091 120.400 0.079 0.000 2.217 63 K HA -0.039 4.281 4.320 0.001 0.000 0.202 63 K C 1.942 178.579 176.600 0.063 0.000 1.051 63 K CA 0.799 57.120 56.287 0.058 0.000 0.952 63 K CB 0.189 32.711 32.500 0.037 0.000 0.736 63 K HN 0.274 nan 8.250 nan 0.000 0.453 64 I N -0.905 119.721 120.570 0.093 0.000 3.265 64 I HA -0.086 4.084 4.170 0.001 0.000 0.282 64 I C 2.110 178.321 176.117 0.156 0.000 1.207 64 I CA 0.084 61.442 61.300 0.096 0.000 1.449 64 I CB -0.028 38.025 38.000 0.088 0.000 1.121 64 I HN 0.283 nan 8.210 nan 0.000 0.442 65 W N 3.823 125.109 121.300 -0.024 0.000 2.409 65 W HA -0.189 4.471 4.660 0.001 0.000 0.299 65 W C 2.268 178.772 176.519 -0.025 0.000 1.203 65 W CA 1.522 58.851 57.345 -0.027 0.000 1.298 65 W CB 0.182 29.625 29.460 -0.028 0.000 1.127 65 W HN 0.120 nan 8.180 nan 0.000 0.528 66 K N -0.298 120.113 120.400 0.018 0.000 2.209 66 K HA -0.203 4.118 4.320 0.001 0.000 0.204 66 K C 1.494 178.006 176.600 -0.146 0.000 1.048 66 K CA 1.524 57.757 56.287 -0.090 0.000 0.940 66 K CB -0.644 31.855 32.500 -0.001 0.000 0.729 66 K HN 0.090 nan 8.250 nan 0.000 0.451 67 I N 1.542 122.048 120.570 -0.106 0.000 3.226 67 I HA 0.020 4.190 4.170 0.001 0.000 0.277 67 I C 0.680 176.708 176.117 -0.148 0.000 1.243 67 I CA 0.234 61.476 61.300 -0.096 0.000 1.459 67 I CB -0.653 37.321 38.000 -0.043 0.000 1.093 67 I HN 0.128 nan 8.210 nan 0.000 0.453 68 R N 2.570 122.931 120.500 -0.233 0.000 2.756 68 R HA 0.108 4.449 4.340 0.001 0.000 0.264 68 R C -2.060 174.043 176.300 -0.330 0.000 1.026 68 R CA -1.199 54.719 56.100 -0.303 0.000 1.121 68 R CB -0.714 29.289 30.300 -0.495 0.000 0.999 68 R HN 0.060 nan 8.270 nan 0.000 0.449 69 P HA -0.004 nan 4.420 nan 0.000 0.271 69 P C 0.919 177.949 177.300 -0.450 0.000 1.216 69 P CA -0.254 62.630 63.100 -0.361 0.000 0.776 69 P CB 0.533 31.973 31.700 -0.434 0.000 0.881 70 I N 3.674 124.073 120.570 -0.285 0.000 2.194 70 I HA -0.323 3.847 4.170 0.001 0.000 0.246 70 I C 2.302 178.310 176.117 -0.183 0.000 1.093 70 I CA 2.096 63.270 61.300 -0.210 0.000 1.355 70 I CB -0.935 37.009 38.000 -0.093 0.000 1.046 70 I HN 0.532 nan 8.210 nan 0.000 0.413 71 H N -0.616 118.405 119.070 -0.080 0.000 2.456 71 H HA -0.046 4.510 4.556 0.001 0.000 0.296 71 H C 1.871 177.169 175.328 -0.050 0.000 1.079 71 H CA 1.683 57.695 56.048 -0.061 0.000 1.322 71 H CB -0.904 28.822 29.762 -0.060 0.000 1.388 71 H HN 0.507 nan 8.280 nan 0.000 0.538 72 E N 0.807 120.746 120.200 -0.435 0.000 2.047 72 E HA -0.111 4.240 4.350 0.001 0.000 0.191 72 E C 2.305 178.852 176.600 -0.089 0.000 0.987 72 E CA 0.862 57.140 56.400 -0.204 0.000 0.799 72 E CB 0.018 29.530 29.700 -0.313 0.000 0.752 72 E HN 0.542 nan 8.360 nan 0.000 0.449 73 R N 0.412 120.774 120.500 -0.231 0.000 2.096 73 R HA -0.095 4.246 4.340 0.001 0.000 0.235 73 R C 2.440 178.820 176.300 0.133 0.000 1.127 73 R CA 0.929 56.969 56.100 -0.099 0.000 0.968 73 R CB -0.421 29.663 30.300 -0.359 0.000 0.861 73 R HN 0.072 nan 8.270 nan 0.000 0.440 74 V N 1.958 121.920 119.914 0.079 0.000 2.332 74 V HA -0.241 3.880 4.120 0.001 0.000 0.248 74 V C 1.512 177.736 176.094 0.216 0.000 1.055 74 V CA 2.015 64.408 62.300 0.155 0.000 1.038 74 V CB -0.431 31.451 31.823 0.099 0.000 0.651 74 V HN 0.250 nan 8.190 nan 0.000 0.450 75 D N -0.382 120.112 120.400 0.156 0.000 2.178 75 D HA -0.123 4.517 4.640 0.001 0.000 0.202 75 D C 1.897 178.340 176.300 0.239 0.000 0.974 75 D CA 0.869 54.970 54.000 0.168 0.000 0.841 75 D CB -0.246 40.628 40.800 0.122 0.000 0.953 75 D HN 0.352 nan 8.370 nan 0.000 0.478 76 L N 0.230 121.607 121.223 0.256 0.000 2.027 76 L HA -0.113 4.228 4.340 0.001 0.000 0.206 76 L C 2.030 179.105 176.870 0.342 0.000 1.074 76 L CA 1.247 56.254 54.840 0.279 0.000 0.745 76 L CB -0.509 41.739 42.059 0.316 0.000 0.898 76 L HN -0.066 nan 8.230 nan 0.000 0.433 77 L N -1.563 119.886 121.223 0.376 0.000 2.042 77 L HA -0.273 4.068 4.340 0.001 0.000 0.210 77 L C 2.316 179.370 176.870 0.307 0.000 1.076 77 L CA 1.834 56.926 54.840 0.420 0.000 0.749 77 L CB -0.905 41.361 42.059 0.346 0.000 0.893 77 L HN 0.258 nan 8.230 nan 0.000 0.432 78 Y N -0.946 119.446 120.300 0.153 0.000 2.224 78 Y HA -0.243 4.308 4.550 0.001 0.000 0.289 78 Y C 2.414 178.378 175.900 0.105 0.000 1.146 78 Y CA 1.317 59.473 58.100 0.094 0.000 1.182 78 Y CB -0.505 37.998 38.460 0.072 0.000 0.983 78 Y HN 0.174 nan 8.280 nan 0.000 0.524 79 A N -1.095 121.904 122.820 0.297 0.000 1.929 79 A HA -0.206 4.115 4.320 0.001 0.000 0.216 79 A C 1.937 179.667 177.584 0.244 0.000 1.176 79 A CA 1.315 53.487 52.037 0.227 0.000 0.628 79 A CB -1.241 17.879 19.000 0.199 0.000 0.816 79 A HN 0.701 nan 8.150 nan 0.000 0.444 80 W N 1.054 122.392 121.300 0.063 0.000 2.355 80 W HA -0.088 4.573 4.660 0.001 0.000 0.309 80 W C 2.362 178.882 176.519 0.002 0.000 1.206 80 W CA 1.599 58.964 57.345 0.033 0.000 1.284 80 W CB -0.772 28.707 29.460 0.031 0.000 1.145 80 W HN 0.344 nan 8.180 nan 0.000 0.502 81 A N 0.528 123.277 122.820 -0.119 0.000 1.892 81 A HA -0.269 4.052 4.320 0.001 0.000 0.218 81 A C 1.766 179.254 177.584 -0.160 0.000 1.188 81 A CA 2.437 54.294 52.037 -0.300 0.000 0.631 81 A CB -1.142 17.658 19.000 -0.334 0.000 0.822 81 A HN 0.317 nan 8.150 nan 0.000 0.447 82 D N -0.236 120.135 120.400 -0.049 0.000 2.117 82 D HA -0.093 4.548 4.640 0.001 0.000 0.197 82 D C 1.891 178.192 176.300 0.001 0.000 0.987 82 D CA 0.947 54.941 54.000 -0.011 0.000 0.829 82 D CB -0.337 40.492 40.800 0.048 0.000 0.961 82 D HN 0.435 nan 8.370 nan 0.000 0.460 83 L N 0.150 121.398 121.223 0.042 0.000 2.083 83 L HA -0.147 4.193 4.340 0.001 0.000 0.209 83 L C 2.390 179.272 176.870 0.020 0.000 1.083 83 L CA 0.651 55.524 54.840 0.055 0.000 0.752 83 L CB -0.262 41.870 42.059 0.121 0.000 0.899 83 L HN 0.090 nan 8.230 nan 0.000 0.433 84 L N -0.714 120.495 121.223 -0.024 0.000 1.994 84 L HA -0.240 4.101 4.340 0.001 0.000 0.208 84 L C 2.522 179.349 176.870 -0.072 0.000 1.071 84 L CA 1.456 56.255 54.840 -0.069 0.000 0.745 84 L CB -0.608 41.341 42.059 -0.184 0.000 0.892 84 L HN 0.282 nan 8.230 nan 0.000 0.431 85 E N 0.255 120.403 120.200 -0.087 0.000 2.118 85 E HA -0.288 4.062 4.350 0.001 0.000 0.195 85 E C 2.109 178.682 176.600 -0.044 0.000 0.992 85 E CA 1.305 57.662 56.400 -0.072 0.000 0.804 85 E CB 0.093 29.747 29.700 -0.077 0.000 0.741 85 E HN 0.408 nan 8.360 nan 0.000 0.458 86 E N 0.059 120.241 120.200 -0.029 0.000 2.110 86 E HA -0.154 4.196 4.350 0.001 0.000 0.193 86 E C 1.210 177.797 176.600 -0.020 0.000 0.988 86 E CA 0.874 57.264 56.400 -0.017 0.000 0.804 86 E CB 0.174 29.873 29.700 -0.001 0.000 0.745 86 E HN 0.087 nan 8.360 nan 0.000 0.458 87 R N -0.014 120.473 120.500 -0.023 0.000 2.515 87 R HA 0.134 4.475 4.340 0.001 0.000 0.294 87 R C 1.562 177.841 176.300 -0.034 0.000 1.021 87 R CA -0.181 55.903 56.100 -0.027 0.000 1.081 87 R CB 0.291 30.579 30.300 -0.021 0.000 1.263 87 R HN 0.002 nan 8.270 nan 0.000 0.557 88 K N 1.467 121.844 120.400 -0.038 0.000 2.044 88 K HA -0.239 4.081 4.320 0.001 0.000 0.210 88 K C 1.022 177.598 176.600 -0.041 0.000 1.049 88 K CA 1.766 58.027 56.287 -0.044 0.000 0.927 88 K CB 0.285 32.757 32.500 -0.047 0.000 0.713 88 K HN 0.044 nan 8.250 nan 0.000 0.443 89 E N 0.570 120.748 120.200 -0.036 0.000 2.028 89 E HA -0.102 4.249 4.350 0.001 0.000 0.191 89 E C 1.918 178.500 176.600 -0.031 0.000 0.988 89 E CA 1.155 57.535 56.400 -0.033 0.000 0.799 89 E CB -0.071 29.612 29.700 -0.028 0.000 0.755 89 E HN 0.288 nan 8.360 nan 0.000 0.447 90 I N 0.483 121.032 120.570 -0.034 0.000 2.099 90 I HA -0.288 3.882 4.170 0.001 0.000 0.239 90 I C 2.180 178.272 176.117 -0.042 0.000 1.066 90 I CA 1.176 62.451 61.300 -0.041 0.000 1.324 90 I CB -0.263 37.703 38.000 -0.057 0.000 1.037 90 I HN 0.110 nan 8.210 nan 0.000 0.401 91 I N 0.432 120.977 120.570 -0.041 0.000 2.179 91 I HA -0.220 3.951 4.170 0.001 0.000 0.242 91 I C 2.723 178.828 176.117 -0.020 0.000 1.088 91 I CA 1.585 62.867 61.300 -0.029 0.000 1.357 91 I CB -1.182 36.807 38.000 -0.018 0.000 1.051 91 I HN 0.310 nan 8.210 nan 0.000 0.409 92 G N 0.739 109.520 108.800 -0.032 0.000 2.513 92 G HA2 -0.361 3.600 3.960 0.001 0.000 0.219 92 G HA3 -0.361 3.600 3.960 0.001 0.000 0.219 92 G C 1.534 176.407 174.900 -0.045 0.000 1.160 92 G CA 1.337 46.412 45.100 -0.042 0.000 0.767 92 G HN 0.520 nan 8.290 nan 0.000 0.571 93 E N -0.325 119.856 120.200 -0.032 0.000 2.106 93 E HA -0.085 4.265 4.350 0.001 0.000 0.192 93 E C 2.351 178.975 176.600 0.039 0.000 0.984 93 E CA 0.781 57.164 56.400 -0.029 0.000 0.806 93 E CB -0.229 29.481 29.700 0.016 0.000 0.750 93 E HN 0.332 nan 8.360 nan 0.000 0.458 94 L N 0.818 122.076 121.223 0.059 0.000 2.027 94 L HA -0.106 4.234 4.340 0.001 0.000 0.206 94 L C 2.076 178.999 176.870 0.088 0.000 1.074 94 L CA 1.573 56.473 54.840 0.100 0.000 0.745 94 L CB -0.369 41.720 42.059 0.050 0.000 0.898 94 L HN 0.247 nan 8.230 nan 0.000 0.433 95 I N -0.934 119.660 120.570 0.039 0.000 2.163 95 I HA -0.383 3.788 4.170 0.001 0.000 0.243 95 I C 2.636 178.756 176.117 0.004 0.000 1.085 95 I CA 2.057 63.371 61.300 0.024 0.000 1.347 95 I CB -0.412 37.574 38.000 -0.023 0.000 1.044 95 I HN 0.425 nan 8.210 nan 0.000 0.408 96 M N 0.291 119.858 119.600 -0.055 0.000 2.110 96 M HA -0.347 4.133 4.480 0.001 0.000 0.257 96 M C 2.360 178.614 176.300 -0.077 0.000 1.071 96 M CA 2.286 57.517 55.300 -0.114 0.000 1.096 96 M CB -0.473 31.992 32.600 -0.225 0.000 1.300 96 M HN 0.260 nan 8.290 nan 0.000 0.411 97 H N -0.966 118.123 119.070 0.031 0.000 2.357 97 H HA -0.138 4.418 4.556 0.001 0.000 0.301 97 H C 2.080 177.440 175.328 0.053 0.000 1.082 97 H CA 1.889 57.960 56.048 0.039 0.000 1.342 97 H CB 0.001 29.783 29.762 0.033 0.000 1.389 97 H HN 0.571 nan 8.280 nan 0.000 0.511 98 E N 0.890 121.199 120.200 0.182 0.000 2.107 98 E HA -0.098 4.252 4.350 0.001 0.000 0.191 98 E C 1.262 177.945 176.600 0.138 0.000 0.982 98 E CA 1.430 57.919 56.400 0.148 0.000 0.809 98 E CB 0.363 30.150 29.700 0.145 0.000 0.756 98 E HN 0.393 nan 8.360 nan 0.000 0.459 99 V N -3.245 116.761 119.914 0.154 0.000 3.159 99 V HA 0.603 4.723 4.120 0.001 0.000 0.333 99 V C 0.473 176.725 176.094 0.262 0.000 1.424 99 V CA 0.130 62.568 62.300 0.229 0.000 1.125 99 V CB 0.017 32.056 31.823 0.360 0.000 1.075 99 V HN 0.220 nan 8.190 nan 0.000 0.482 100 A N 0.272 123.191 122.820 0.166 0.000 2.822 100 A HA -0.284 4.036 4.320 0.001 0.000 0.287 100 A C 0.530 178.247 177.584 0.221 0.000 1.479 100 A CA 1.630 53.757 52.037 0.151 0.000 0.779 100 A CB -2.158 16.918 19.000 0.126 0.000 1.022 100 A HN 0.971 nan 8.150 nan 0.000 0.532 101 K N 0.073 120.551 120.400 0.129 0.000 2.234 101 K HA 0.481 4.802 4.320 0.001 0.000 0.282 101 K C -2.603 173.978 176.600 -0.032 0.000 1.039 101 K CA -2.209 54.077 56.287 -0.002 0.000 0.928 101 K CB 0.730 33.044 32.500 -0.310 0.000 1.039 101 K HN 0.150 nan 8.250 nan 0.000 0.470 102 P HA -0.099 nan 4.420 nan 0.000 0.264 102 P C -0.063 177.199 177.300 -0.063 0.000 1.183 102 P CA 0.114 63.201 63.100 -0.022 0.000 0.763 102 P CB 0.769 32.471 31.700 0.002 0.000 0.807 103 K N 3.934 124.294 120.400 -0.068 0.000 2.032 103 K HA -0.286 4.035 4.320 0.001 0.000 0.218 103 K C 1.615 178.173 176.600 -0.071 0.000 1.054 103 K CA 2.123 58.361 56.287 -0.081 0.000 0.941 103 K CB -0.207 32.249 32.500 -0.073 0.000 0.720 103 K HN 0.199 nan 8.250 nan 0.000 0.449 104 K N 0.004 120.370 120.400 -0.056 0.000 2.103 104 K HA -0.109 4.212 4.320 0.001 0.000 0.207 104 K C 2.134 178.699 176.600 -0.059 0.000 1.048 104 K CA 1.779 58.035 56.287 -0.051 0.000 0.930 104 K CB -0.055 32.422 32.500 -0.039 0.000 0.716 104 K HN 0.384 nan 8.250 nan 0.000 0.444 105 S N -0.304 115.355 115.700 -0.068 0.000 2.496 105 S HA 0.073 4.544 4.470 0.001 0.000 0.224 105 S C 2.013 176.545 174.600 -0.114 0.000 0.996 105 S CA 0.487 58.637 58.200 -0.083 0.000 0.927 105 S CB 0.258 63.408 63.200 -0.083 0.000 0.774 105 S HN 0.259 nan 8.310 nan 0.000 0.524 106 A N 2.314 125.063 122.820 -0.119 0.000 1.897 106 A HA 0.197 4.518 4.320 0.001 0.000 0.215 106 A C 2.135 179.670 177.584 -0.083 0.000 1.181 106 A CA 1.129 53.096 52.037 -0.118 0.000 0.620 106 A CB -0.682 18.252 19.000 -0.110 0.000 0.821 106 A HN 0.566 nan 8.150 nan 0.000 0.443 107 I N -0.353 120.173 120.570 -0.073 0.000 2.252 107 I HA -0.160 4.011 4.170 0.001 0.000 0.245 107 I C 2.702 178.781 176.117 -0.062 0.000 1.102 107 I CA 1.136 62.399 61.300 -0.061 0.000 1.385 107 I CB -0.797 37.171 38.000 -0.055 0.000 1.064 107 I HN 0.387 nan 8.210 nan 0.000 0.414 108 G N 0.470 109.232 108.800 -0.062 0.000 2.432 108 G HA2 -0.289 3.672 3.960 0.001 0.000 0.219 108 G HA3 -0.289 3.672 3.960 0.001 0.000 0.219 108 G C 1.543 176.408 174.900 -0.059 0.000 1.135 108 G CA 0.836 45.900 45.100 -0.059 0.000 0.767 108 G HN 0.485 nan 8.290 nan 0.000 0.550 109 E N -0.028 120.141 120.200 -0.052 0.000 2.077 109 E HA -0.108 4.243 4.350 0.001 0.000 0.193 109 E C 2.567 179.132 176.600 -0.058 0.000 0.989 109 E CA 1.149 57.531 56.400 -0.029 0.000 0.800 109 E CB -0.078 29.616 29.700 -0.010 0.000 0.746 109 E HN 0.263 nan 8.360 nan 0.000 0.452 110 V N 0.584 120.458 119.914 -0.066 0.000 2.307 110 V HA -0.233 3.888 4.120 0.001 0.000 0.245 110 V C 2.430 178.459 176.094 -0.109 0.000 1.045 110 V CA 1.807 64.058 62.300 -0.083 0.000 1.024 110 V CB -0.546 31.236 31.823 -0.067 0.000 0.651 110 V HN 0.257 nan 8.190 nan 0.000 0.449 111 S N -0.377 115.266 115.700 -0.095 0.000 2.359 111 S HA -0.305 4.166 4.470 0.001 0.000 0.223 111 S C 2.134 176.659 174.600 -0.124 0.000 1.039 111 S CA 2.185 60.323 58.200 -0.103 0.000 1.042 111 S CB -0.455 62.695 63.200 -0.084 0.000 0.915 111 S HN 0.540 nan 8.310 nan 0.000 0.439 112 R N 0.479 120.908 120.500 -0.118 0.000 2.096 112 R HA -0.099 4.241 4.340 0.001 0.000 0.235 112 R C 2.206 178.407 176.300 -0.165 0.000 1.127 112 R CA 1.707 57.726 56.100 -0.135 0.000 0.968 112 R CB -0.626 29.599 30.300 -0.126 0.000 0.861 112 R HN 0.336 nan 8.270 nan 0.000 0.440 113 T N 0.628 115.080 114.554 -0.170 0.000 2.684 113 T HA -0.146 4.205 4.350 0.001 0.000 0.267 113 T C 1.769 176.294 174.700 -0.291 0.000 1.036 113 T CA 1.540 63.509 62.100 -0.218 0.000 1.148 113 T CB -0.285 68.460 68.868 -0.204 0.000 0.863 113 T HN 0.480 nan 8.240 nan 0.000 0.436 114 A N 1.697 124.350 122.820 -0.278 0.000 1.933 114 A HA -0.142 4.179 4.320 0.001 0.000 0.218 114 A C 2.090 179.514 177.584 -0.267 0.000 1.175 114 A CA 1.679 53.530 52.037 -0.310 0.000 0.628 114 A CB -0.551 18.300 19.000 -0.248 0.000 0.814 114 A HN 0.356 nan 8.150 nan 0.000 0.444 115 D N -0.049 120.228 120.400 -0.206 0.000 2.144 115 D HA -0.090 4.550 4.640 0.001 0.000 0.200 115 D C 1.822 178.032 176.300 -0.149 0.000 0.978 115 D CA 1.008 54.907 54.000 -0.168 0.000 0.833 115 D CB -0.268 40.446 40.800 -0.144 0.000 0.961 115 D HN 0.527 nan 8.370 nan 0.000 0.470 116 I N 0.536 121.004 120.570 -0.171 0.000 2.252 116 I HA -0.198 3.973 4.170 0.001 0.000 0.245 116 I C 2.333 178.385 176.117 -0.108 0.000 1.102 116 I CA 0.593 61.810 61.300 -0.137 0.000 1.385 116 I CB -0.012 37.893 38.000 -0.159 0.000 1.064 116 I HN -0.060 nan 8.210 nan 0.000 0.414 117 I N 0.339 120.789 120.570 -0.200 0.000 2.142 117 I HA -0.293 3.878 4.170 0.001 0.000 0.240 117 I C 2.733 178.764 176.117 -0.142 0.000 1.078 117 I CA 1.405 62.584 61.300 -0.202 0.000 1.343 117 I CB -0.409 37.340 38.000 -0.418 0.000 1.046 117 I HN 0.128 nan 8.210 nan 0.000 0.405 118 R N -0.364 119.983 120.500 -0.255 0.000 2.080 118 R HA -0.253 4.088 4.340 0.001 0.000 0.236 118 R C 2.393 178.651 176.300 -0.071 0.000 1.137 118 R CA 2.038 57.925 56.100 -0.354 0.000 0.943 118 R CB -0.762 29.224 30.300 -0.523 0.000 0.846 118 R HN 0.414 nan 8.270 nan 0.000 0.431 119 H N -0.018 118.988 119.070 -0.106 0.000 2.387 119 H HA -0.070 4.486 4.556 0.001 0.000 0.299 119 H C 1.817 177.150 175.328 0.007 0.000 1.090 119 H CA 2.065 58.090 56.048 -0.038 0.000 1.332 119 H CB 0.120 29.844 29.762 -0.064 0.000 1.386 119 H HN 0.091 nan 8.280 nan 0.000 0.516 120 T N -0.224 114.409 114.554 0.131 0.000 2.737 120 T HA -0.126 4.225 4.350 0.001 0.000 0.265 120 T C 2.233 176.991 174.700 0.096 0.000 1.038 120 T CA 1.108 63.273 62.100 0.109 0.000 1.144 120 T CB -0.593 68.327 68.868 0.087 0.000 0.866 120 T HN 0.530 nan 8.240 nan 0.000 0.434 121 A N 2.173 125.060 122.820 0.112 0.000 1.883 121 A HA -0.186 4.134 4.320 0.001 0.000 0.217 121 A C 2.102 179.765 177.584 0.131 0.000 1.186 121 A CA 1.930 54.065 52.037 0.162 0.000 0.624 121 A CB -0.749 18.417 19.000 0.276 0.000 0.822 121 A HN 0.369 nan 8.150 nan 0.000 0.444 122 D N -0.354 120.114 120.400 0.114 0.000 2.144 122 D HA -0.116 4.525 4.640 0.001 0.000 0.199 122 D C 1.911 178.199 176.300 -0.019 0.000 0.984 122 D CA 1.096 55.118 54.000 0.037 0.000 0.834 122 D CB -0.321 40.464 40.800 -0.026 0.000 0.955 122 D HN 0.426 nan 8.370 nan 0.000 0.465 123 E N 0.684 120.863 120.200 -0.036 0.000 2.077 123 E HA -0.109 4.241 4.350 0.001 0.000 0.193 123 E C 2.080 178.695 176.600 0.025 0.000 0.989 123 E CA 0.796 57.192 56.400 -0.008 0.000 0.800 123 E CB -0.179 29.546 29.700 0.041 0.000 0.746 123 E HN 0.207 nan 8.360 nan 0.000 0.452 124 A N 0.797 123.643 122.820 0.042 0.000 1.972 124 A HA -0.146 4.174 4.320 0.001 0.000 0.219 124 A C 2.076 179.675 177.584 0.026 0.000 1.169 124 A CA 0.846 52.909 52.037 0.042 0.000 0.635 124 A CB -0.393 18.641 19.000 0.056 0.000 0.810 124 A HN 0.177 nan 8.150 nan 0.000 0.446 125 L N -0.975 120.262 121.223 0.024 0.000 2.622 125 L HA 0.081 4.422 4.340 0.001 0.000 0.233 125 L C 1.408 178.282 176.870 0.007 0.000 1.156 125 L CA 1.139 55.988 54.840 0.015 0.000 0.866 125 L CB -0.384 41.683 42.059 0.014 0.000 0.980 125 L HN 0.304 nan 8.230 nan 0.000 0.448 126 R N -1.339 119.166 120.500 0.008 0.000 2.668 126 R HA 0.310 4.651 4.340 0.001 0.000 0.435 126 R C -0.546 175.762 176.300 0.013 0.000 1.059 126 R CA -0.138 55.966 56.100 0.007 0.000 1.073 126 R CB 0.372 30.673 30.300 0.002 0.000 1.401 126 R HN 0.090 nan 8.270 nan 0.000 0.590 127 L N 2.238 123.470 121.223 0.014 0.000 2.389 127 L HA 0.275 4.616 4.340 0.001 0.000 0.265 127 L C -0.329 176.547 176.870 0.010 0.000 1.167 127 L CA -0.549 54.300 54.840 0.016 0.000 1.045 127 L CB -0.247 41.824 42.059 0.019 0.000 1.351 127 L HN 0.124 nan 8.230 nan 0.000 0.419 128 N N 1.488 120.194 118.700 0.010 0.000 2.482 128 N HA 0.223 4.964 4.740 0.001 0.000 0.260 128 N C 0.501 176.015 175.510 0.007 0.000 1.236 128 N CA 0.071 53.125 53.050 0.007 0.000 0.938 128 N CB 1.246 39.737 38.487 0.007 0.000 1.128 128 N HN 0.504 nan 8.380 nan 0.000 0.448 129 G N -0.618 108.184 108.800 0.004 0.000 2.557 129 G HA2 0.488 4.448 3.960 0.001 0.000 0.292 129 G HA3 0.488 4.448 3.960 0.001 0.000 0.292 129 G C -0.614 174.289 174.900 0.005 0.000 1.237 129 G CA -0.395 44.707 45.100 0.004 0.000 0.978 129 G HN 0.666 nan 8.290 nan 0.000 0.498 130 E N -1.817 118.385 120.200 0.005 0.000 2.408 130 E HA 0.585 4.936 4.350 0.001 0.000 0.275 130 E C -1.263 175.340 176.600 0.005 0.000 0.935 130 E CA -0.924 55.479 56.400 0.006 0.000 0.775 130 E CB 1.903 31.607 29.700 0.007 0.000 1.277 130 E HN 0.546 nan 8.360 nan 0.000 0.455 131 T N 0.054 114.612 114.554 0.006 0.000 2.841 131 T HA 0.659 5.010 4.350 0.001 0.000 0.283 131 T C -0.332 174.373 174.700 0.009 0.000 1.000 131 T CA -0.869 61.235 62.100 0.006 0.000 0.977 131 T CB 0.687 69.558 68.868 0.006 0.000 0.979 131 T HN 0.438 nan 8.240 nan 0.000 0.446 132 L N 2.259 123.488 121.223 0.010 0.000 2.385 132 L HA 0.611 4.951 4.340 0.001 0.000 0.273 132 L C -0.120 176.761 176.870 0.018 0.000 0.990 132 L CA -1.340 53.509 54.840 0.015 0.000 0.821 132 L CB 1.898 43.966 42.059 0.014 0.000 1.279 132 L HN 0.391 nan 8.230 nan 0.000 0.412 133 K N 1.369 121.783 120.400 0.024 0.000 2.218 133 K HA 0.276 4.597 4.320 0.001 0.000 0.276 133 K C 1.093 177.717 176.600 0.040 0.000 1.022 133 K CA -0.103 56.200 56.287 0.026 0.000 0.946 133 K CB 1.618 34.133 32.500 0.024 0.000 1.000 133 K HN 0.804 nan 8.250 nan 0.000 0.468 134 G N 1.650 110.474 108.800 0.039 0.000 2.448 134 G HA2 -0.223 3.738 3.960 0.001 0.000 0.219 134 G HA3 -0.223 3.738 3.960 0.001 0.000 0.219 134 G C 0.646 175.597 174.900 0.085 0.000 1.127 134 G CA 0.710 45.843 45.100 0.055 0.000 0.766 134 G HN 0.699 nan 8.290 nan 0.000 0.552 135 D N 0.037 120.475 120.400 0.063 0.000 2.325 135 D HA 0.006 4.647 4.640 0.001 0.000 0.225 135 D C 1.764 178.096 176.300 0.054 0.000 1.096 135 D CA -0.025 54.009 54.000 0.057 0.000 0.844 135 D CB -0.326 40.492 40.800 0.029 0.000 0.925 135 D HN 0.353 nan 8.370 nan 0.000 0.513 136 Q N -0.660 119.187 119.800 0.078 0.000 2.369 136 Q HA 0.046 4.387 4.340 0.001 0.000 0.206 136 Q C -0.192 175.891 176.000 0.137 0.000 0.963 136 Q CA 0.379 56.230 55.803 0.081 0.000 0.894 136 Q CB 0.161 28.944 28.738 0.074 0.000 0.965 136 Q HN 0.307 nan 8.270 nan 0.000 0.475 137 F N 1.300 121.250 119.950 -0.000 0.000 2.469 137 F HA 0.279 4.807 4.527 0.001 0.000 0.332 137 F C -0.094 175.705 175.800 -0.000 0.000 1.103 137 F CA -1.371 56.629 58.000 -0.000 0.000 0.979 137 F CB 1.057 40.056 39.000 -0.000 0.000 1.137 137 F HN -0.366 nan 8.300 nan 0.000 0.463 138 K N 3.799 123.794 120.400 -0.676 0.000 2.472 138 K HA 0.326 4.647 4.320 0.001 0.000 0.280 138 K C 0.866 177.325 176.600 -0.235 0.000 1.028 138 K CA 1.249 57.284 56.287 -0.421 0.000 1.045 138 K CB -0.070 32.161 32.500 -0.447 0.000 0.902 138 K HN 1.071 nan 8.250 nan 0.000 0.478 139 G N 2.731 111.491 108.800 -0.067 0.000 2.175 139 G HA2 -0.236 3.725 3.960 0.001 0.000 0.244 139 G HA3 -0.236 3.725 3.960 0.001 0.000 0.244 139 G C 0.713 175.657 174.900 0.073 0.000 0.982 139 G CA 0.215 45.326 45.100 0.018 0.000 0.641 139 G HN 0.812 nan 8.290 nan 0.000 0.527 140 G N -0.292 108.567 108.800 0.099 0.000 2.623 140 G HA2 0.307 4.267 3.960 0.001 0.000 0.214 140 G HA3 0.307 4.267 3.960 0.001 0.000 0.214 140 G C 1.301 176.234 174.900 0.056 0.000 1.138 140 G CA 1.630 46.790 45.100 0.100 0.000 0.794 140 G HN 1.595 nan 8.290 nan 0.000 0.535 141 S N -1.062 114.660 115.700 0.037 0.000 2.879 141 S HA -0.362 4.108 4.470 0.001 0.000 0.280 141 S C 1.696 176.308 174.600 0.020 0.000 1.317 141 S CA 2.634 60.847 58.200 0.022 0.000 1.310 141 S CB -1.191 62.020 63.200 0.018 0.000 1.616 141 S HN 2.272 nan 8.310 nan 0.000 0.717 142 S N -2.628 113.087 115.700 0.024 0.000 2.163 142 S HA -0.163 4.307 4.470 0.001 0.000 0.255 142 S C 0.489 175.098 174.600 0.016 0.000 1.361 142 S CA 1.259 59.471 58.200 0.020 0.000 1.162 142 S CB -1.784 61.425 63.200 0.015 0.000 1.460 142 S HN 0.581 nan 8.310 nan 0.000 0.653 143 K N 2.128 122.537 120.400 0.015 0.000 2.365 143 K HA 0.147 4.468 4.320 0.001 0.000 0.199 143 K C 0.569 177.176 176.600 0.011 0.000 1.045 143 K CA 1.044 57.338 56.287 0.012 0.000 0.962 143 K CB 0.079 32.586 32.500 0.011 0.000 0.759 143 K HN 0.798 nan 8.250 nan 0.000 0.469 144 K N 0.308 120.716 120.400 0.014 0.000 2.259 144 K HA 0.393 4.714 4.320 0.001 0.000 0.252 144 K C -1.004 175.603 176.600 0.012 0.000 0.936 144 K CA -0.749 55.545 56.287 0.012 0.000 0.810 144 K CB 2.341 34.847 32.500 0.011 0.000 1.143 144 K HN -0.098 nan 8.250 nan 0.000 0.427 145 I N 1.190 121.765 120.570 0.009 0.000 2.498 145 I HA 0.420 4.590 4.170 0.001 0.000 0.290 145 I C -1.269 174.851 176.117 0.005 0.000 1.032 145 I CA -0.750 60.555 61.300 0.008 0.000 1.073 145 I CB 1.871 39.875 38.000 0.007 0.000 1.251 145 I HN 0.949 nan 8.210 nan 0.000 0.426 146 A N 7.845 130.668 122.820 0.005 0.000 2.274 146 A HA 0.661 4.982 4.320 0.001 0.000 0.309 146 A C -1.233 176.352 177.584 0.001 0.000 1.226 146 A CA -0.468 51.570 52.037 0.001 0.000 0.853 146 A CB 0.686 19.685 19.000 -0.002 0.000 1.146 146 A HN 0.559 nan 8.150 nan 0.000 0.518 147 L N 3.560 124.783 121.223 -0.000 0.000 2.262 147 L HA 0.393 4.733 4.340 0.001 0.000 0.288 147 L C -0.183 176.687 176.870 -0.001 0.000 1.035 147 L CA 0.011 54.850 54.840 -0.000 0.000 0.820 147 L CB 1.230 43.288 42.059 -0.001 0.000 1.204 147 L HN 0.434 nan 8.230 nan 0.000 0.424 148 V N 3.738 123.652 119.914 -0.000 0.000 2.427 148 V HA 0.561 4.682 4.120 0.001 0.000 0.286 148 V C 0.194 176.288 176.094 0.000 0.000 1.034 148 V CA -0.686 61.613 62.300 -0.001 0.000 0.893 148 V CB 1.487 33.310 31.823 -0.000 0.000 0.982 148 V HN 0.723 nan 8.190 nan 0.000 0.452 149 E N 3.151 123.351 120.200 -0.000 0.000 2.450 149 E HA 0.609 4.959 4.350 0.001 0.000 0.272 149 E C -1.088 175.513 176.600 0.002 0.000 0.967 149 E CA -1.176 55.224 56.400 0.000 0.000 0.818 149 E CB 2.759 32.457 29.700 -0.003 0.000 1.401 149 E HN 0.503 nan 8.360 nan 0.000 0.450 150 R N 1.033 121.534 120.500 0.003 0.000 2.514 150 R HA 0.369 4.709 4.340 0.001 0.000 0.301 150 R C -0.663 175.639 176.300 0.003 0.000 0.962 150 R CA -0.526 55.578 56.100 0.006 0.000 0.882 150 R CB 1.838 32.145 30.300 0.012 0.000 1.143 150 R HN 0.463 nan 8.270 nan 0.000 0.452 151 E N 3.878 124.083 120.200 0.007 0.000 2.222 151 E HA 0.390 4.741 4.350 0.001 0.000 0.267 151 E C -2.405 174.205 176.600 0.017 0.000 0.884 151 E CA -2.468 53.937 56.400 0.007 0.000 0.764 151 E CB 1.920 31.624 29.700 0.006 0.000 1.169 151 E HN 0.202 nan 8.360 nan 0.000 0.413 152 P HA 0.001 nan 4.420 nan 0.000 0.270 152 P C 0.338 177.660 177.300 0.037 0.000 1.223 152 P CA 0.124 63.247 63.100 0.038 0.000 0.785 152 P CB 0.927 32.658 31.700 0.051 0.000 0.923 153 L N 0.234 121.483 121.223 0.043 0.000 2.209 153 L HA 0.138 4.479 4.340 0.001 0.000 0.207 153 L C 1.745 178.638 176.870 0.039 0.000 1.094 153 L CA 1.688 56.550 54.840 0.038 0.000 0.790 153 L CB -0.616 41.467 42.059 0.040 0.000 0.932 153 L HN 0.739 nan 8.230 nan 0.000 0.447 154 G N -1.016 107.813 108.800 0.048 0.000 1.781 154 G HA2 -0.140 3.821 3.960 0.001 0.000 0.082 154 G HA3 -0.140 3.821 3.960 0.001 0.000 0.082 154 G C -0.851 174.076 174.900 0.046 0.000 0.919 154 G CA -0.298 44.830 45.100 0.046 0.000 1.202 154 G HN -0.200 nan 8.290 nan 0.000 0.393 155 V N 1.836 121.769 119.914 0.032 0.000 2.347 155 V HA 0.599 4.720 4.120 0.001 0.000 0.280 155 V C 0.250 176.359 176.094 0.025 0.000 1.021 155 V CA -0.562 61.748 62.300 0.017 0.000 0.847 155 V CB 1.214 33.033 31.823 -0.006 0.000 0.990 155 V HN 0.606 nan 8.190 nan 0.000 0.444 156 V N 6.533 126.467 119.914 0.033 0.000 2.432 156 V HA 0.321 4.441 4.120 0.001 0.000 0.275 156 V C -0.026 176.098 176.094 0.050 0.000 1.043 156 V CA -0.471 61.858 62.300 0.048 0.000 0.925 156 V CB 1.528 33.388 31.823 0.060 0.000 0.985 156 V HN 0.669 nan 8.190 nan 0.000 0.466 157 L N 5.937 127.196 121.223 0.059 0.000 2.265 157 L HA 0.739 5.079 4.340 0.001 0.000 0.288 157 L C 0.294 177.239 176.870 0.125 0.000 1.058 157 L CA 0.160 55.047 54.840 0.077 0.000 0.809 157 L CB 0.748 42.841 42.059 0.057 0.000 1.179 157 L HN 0.718 nan 8.230 nan 0.000 0.429 158 A N 6.949 129.870 122.820 0.169 0.000 2.304 158 A HA 0.752 5.073 4.320 0.001 0.000 0.314 158 A C -0.770 176.993 177.584 0.298 0.000 1.187 158 A CA -0.425 51.740 52.037 0.214 0.000 0.810 158 A CB 0.366 19.477 19.000 0.185 0.000 1.183 158 A HN 0.692 nan 8.150 nan 0.000 0.487 159 I N 2.921 123.652 120.570 0.269 0.000 2.382 159 I HA 0.340 4.510 4.170 0.001 0.000 0.286 159 I C 0.420 176.651 176.117 0.190 0.000 1.002 159 I CA -0.245 61.223 61.300 0.279 0.000 1.135 159 I CB 2.085 40.327 38.000 0.403 0.000 1.288 159 I HN 0.679 nan 8.210 nan 0.000 0.448 160 S N 7.064 122.898 115.700 0.223 0.000 2.638 160 S HA 0.745 5.216 4.470 0.001 0.000 0.298 160 S C -2.696 171.961 174.600 0.094 0.000 1.111 160 S CA -1.443 56.853 58.200 0.160 0.000 1.027 160 S CB 1.964 65.351 63.200 0.313 0.000 1.064 160 S HN 0.311 nan 8.310 nan 0.000 0.525 161 P HA 0.323 nan 4.420 nan 0.000 0.284 161 P C 0.650 178.008 177.300 0.097 0.000 1.287 161 P CA -0.908 62.204 63.100 0.019 0.000 0.824 161 P CB 0.427 32.074 31.700 -0.089 0.000 1.180 162 F N 0.006 120.027 119.950 0.118 0.000 2.293 162 F HA -0.063 4.465 4.527 0.001 0.000 0.300 162 F C 1.889 177.781 175.800 0.153 0.000 1.086 162 F CA 1.042 59.120 58.000 0.131 0.000 1.375 162 F CB -1.701 37.372 39.000 0.122 0.000 1.045 162 F HN 0.195 nan 8.300 nan 0.000 0.516 163 N N -0.758 117.555 118.700 -0.645 0.000 2.027 163 N HA -0.272 4.469 4.740 0.001 0.000 0.200 163 N C -0.480 174.793 175.510 -0.396 0.000 1.042 163 N CA 1.801 54.556 53.050 -0.492 0.000 0.871 163 N CB -0.258 38.149 38.487 -0.133 0.000 1.063 163 N HN 0.408 nan 8.380 nan 0.000 0.438 164 Y N -1.479 118.756 120.300 -0.108 0.000 2.544 164 Y HA 0.278 4.829 4.550 0.001 0.000 0.347 164 Y C -1.960 173.927 175.900 -0.020 0.000 1.089 164 Y CA -1.414 56.631 58.100 -0.092 0.000 1.230 164 Y CB 1.794 40.182 38.460 -0.121 0.000 1.101 164 Y HN 0.176 nan 8.280 nan 0.000 0.641 165 P HA -0.106 nan 4.420 nan 0.000 0.225 165 P C 0.945 178.355 177.300 0.185 0.000 1.148 165 P CA 1.139 64.344 63.100 0.175 0.000 0.779 165 P CB 0.903 32.704 31.700 0.168 0.000 0.780 166 V N -0.268 119.719 119.914 0.122 0.000 2.840 166 V HA -0.002 4.119 4.120 0.001 0.000 0.234 166 V C 2.498 178.609 176.094 0.027 0.000 1.159 166 V CA 1.094 63.443 62.300 0.082 0.000 1.194 166 V CB -1.237 30.615 31.823 0.049 0.000 0.971 166 V HN 0.067 nan 8.190 nan 0.000 0.494 167 N N 1.217 119.932 118.700 0.024 0.000 2.021 167 N HA -0.200 4.541 4.740 0.001 0.000 0.198 167 N C 1.514 176.991 175.510 -0.056 0.000 1.041 167 N CA 2.156 55.183 53.050 -0.038 0.000 0.862 167 N CB -0.409 38.064 38.487 -0.023 0.000 1.048 167 N HN 0.430 nan 8.380 nan 0.000 0.427 168 L N -0.589 120.633 121.223 -0.001 0.000 2.591 168 L HA 0.200 4.541 4.340 0.001 0.000 0.228 168 L C 1.978 178.858 176.870 0.016 0.000 1.133 168 L CA 0.354 55.180 54.840 -0.024 0.000 0.880 168 L CB -0.281 41.767 42.059 -0.019 0.000 1.033 168 L HN 0.217 nan 8.230 nan 0.000 0.450 169 A N 0.375 123.210 122.820 0.025 0.000 1.862 169 A HA 0.078 4.398 4.320 0.001 0.000 0.211 169 A C 2.522 180.039 177.584 -0.110 0.000 1.220 169 A CA 1.095 53.093 52.037 -0.065 0.000 0.616 169 A CB -0.520 18.387 19.000 -0.154 0.000 0.878 169 A HN 0.279 nan 8.150 nan 0.000 0.453 170 A N 0.128 122.913 122.820 -0.058 0.000 1.940 170 A HA 0.134 4.455 4.320 0.001 0.000 0.219 170 A C 2.407 179.981 177.584 -0.017 0.000 1.176 170 A CA 2.087 54.123 52.037 -0.001 0.000 0.631 170 A CB -1.047 17.855 19.000 -0.164 0.000 0.814 170 A HN 1.168 nan 8.150 nan 0.000 0.446 171 A N -0.771 122.017 122.820 -0.054 0.000 2.131 171 A HA -0.170 4.150 4.320 0.001 0.000 0.220 171 A C 2.052 179.639 177.584 0.005 0.000 1.158 171 A CA 1.943 53.953 52.037 -0.044 0.000 0.665 171 A CB -0.295 18.655 19.000 -0.083 0.000 0.795 171 A HN 0.616 nan 8.150 nan 0.000 0.460 172 K N -1.084 119.326 120.400 0.017 0.000 2.240 172 K HA 0.289 4.610 4.320 0.001 0.000 0.202 172 K C 1.716 178.351 176.600 0.059 0.000 1.053 172 K CA 0.638 56.952 56.287 0.045 0.000 0.973 172 K CB -0.111 32.420 32.500 0.051 0.000 0.924 172 K HN 0.398 nan 8.250 nan 0.000 0.477 173 I N 1.636 122.233 120.570 0.045 0.000 2.226 173 I HA -0.281 3.890 4.170 0.001 0.000 0.245 173 I C 2.513 178.717 176.117 0.145 0.000 1.100 173 I CA 1.232 62.563 61.300 0.051 0.000 1.374 173 I CB -0.333 37.668 38.000 0.001 0.000 1.057 173 I HN 0.160 nan 8.210 nan 0.000 0.413 174 A N 1.560 124.520 122.820 0.233 0.000 1.858 174 A HA -0.106 4.215 4.320 0.001 0.000 0.216 174 A C 0.061 177.756 177.584 0.185 0.000 1.190 174 A CA 1.691 53.896 52.037 0.280 0.000 0.617 174 A CB -2.023 17.100 19.000 0.205 0.000 0.827 174 A HN 0.280 nan 8.150 nan 0.000 0.443 175 P HA -0.104 nan 4.420 nan 0.000 0.218 175 P C 1.554 178.926 177.300 0.120 0.000 1.149 175 P CA 1.866 65.036 63.100 0.116 0.000 0.817 175 P CB -0.142 31.614 31.700 0.093 0.000 0.785 176 A N 0.413 123.302 122.820 0.116 0.000 1.855 176 A HA -0.109 4.211 4.320 0.001 0.000 0.215 176 A C 2.418 180.096 177.584 0.157 0.000 1.191 176 A CA 1.307 53.411 52.037 0.112 0.000 0.613 176 A CB -1.549 17.502 19.000 0.085 0.000 0.829 176 A HN 0.097 nan 8.150 nan 0.000 0.442 177 L N -0.777 120.550 121.223 0.173 0.000 2.083 177 L HA -0.124 4.217 4.340 0.001 0.000 0.209 177 L C 2.476 179.615 176.870 0.448 0.000 1.083 177 L CA 1.164 56.184 54.840 0.300 0.000 0.752 177 L CB -0.630 41.529 42.059 0.166 0.000 0.899 177 L HN 0.309 nan 8.230 nan 0.000 0.433 178 V N 0.187 120.269 119.914 0.279 0.000 2.667 178 V HA -0.186 3.934 4.120 0.001 0.000 0.252 178 V C 2.436 178.589 176.094 0.098 0.000 1.065 178 V CA 2.172 64.592 62.300 0.201 0.000 1.083 178 V CB -0.319 31.605 31.823 0.168 0.000 0.692 178 V HN 0.699 nan 8.190 nan 0.000 0.468 179 T N -2.765 111.854 114.554 0.108 0.000 3.148 179 T HA 0.283 4.634 4.350 0.001 0.000 0.253 179 T C 1.419 176.144 174.700 0.041 0.000 1.134 179 T CA 0.740 62.874 62.100 0.057 0.000 1.051 179 T CB 0.300 69.208 68.868 0.067 0.000 0.959 179 T HN 1.182 nan 8.240 nan 0.000 0.525 180 G N 1.388 110.239 108.800 0.086 0.000 2.141 180 G HA2 -0.218 3.742 3.960 0.001 0.000 0.231 180 G HA3 -0.218 3.742 3.960 0.001 0.000 0.231 180 G C -0.114 174.933 174.900 0.245 0.000 0.984 180 G CA -0.341 44.802 45.100 0.071 0.000 0.660 180 G HN 0.598 nan 8.290 nan 0.000 0.525 181 N N 0.822 119.663 118.700 0.235 0.000 2.445 181 N HA 0.501 5.242 4.740 0.001 0.000 0.264 181 N C 0.646 176.267 175.510 0.184 0.000 1.227 181 N CA 0.737 53.893 53.050 0.176 0.000 0.963 181 N CB 0.962 39.515 38.487 0.110 0.000 1.188 181 N HN 0.485 nan 8.380 nan 0.000 0.491 182 T N -2.581 112.019 114.554 0.077 0.000 2.944 182 T HA 0.588 4.938 4.350 0.001 0.000 0.284 182 T C -0.066 174.615 174.700 -0.031 0.000 1.010 182 T CA -0.726 61.352 62.100 -0.037 0.000 1.025 182 T CB 1.218 70.042 68.868 -0.072 0.000 1.079 182 T HN 0.112 nan 8.240 nan 0.000 0.516 183 V N 1.362 121.233 119.914 -0.072 0.000 2.531 183 V HA 0.465 4.586 4.120 0.001 0.000 0.301 183 V C -0.451 175.633 176.094 -0.017 0.000 1.034 183 V CA -0.891 61.392 62.300 -0.028 0.000 0.865 183 V CB 1.946 33.751 31.823 -0.031 0.000 0.995 183 V HN 0.891 nan 8.190 nan 0.000 0.424 184 V N 5.503 125.427 119.914 0.017 0.000 2.370 184 V HA 0.425 4.545 4.120 0.001 0.000 0.279 184 V C -0.533 175.646 176.094 0.140 0.000 1.029 184 V CA -0.435 61.884 62.300 0.032 0.000 0.870 184 V CB 1.279 33.089 31.823 -0.022 0.000 0.984 184 V HN 0.689 nan 8.190 nan 0.000 0.451 185 F N 6.104 126.040 119.950 -0.024 0.000 2.402 185 F HA 0.683 5.211 4.527 0.001 0.000 0.355 185 F C -0.153 175.666 175.800 0.031 0.000 1.123 185 F CA -1.744 56.265 58.000 0.014 0.000 1.021 185 F CB 1.441 40.449 39.000 0.014 0.000 1.160 185 F HN 0.458 nan 8.300 nan 0.000 0.451 186 K N 9.199 129.515 120.400 -0.141 0.000 2.419 186 K HA 0.493 4.814 4.320 0.001 0.000 0.244 186 K C -2.992 173.410 176.600 -0.331 0.000 1.045 186 K CA -2.351 53.774 56.287 -0.270 0.000 1.004 186 K CB 0.683 33.151 32.500 -0.054 0.000 1.376 186 K HN 0.272 nan 8.250 nan 0.000 0.460 187 P HA 0.057 nan 4.420 nan 0.000 0.272 187 P C -0.518 176.750 177.300 -0.054 0.000 1.230 187 P CA -0.378 62.541 63.100 -0.301 0.000 0.788 187 P CB 0.839 32.335 31.700 -0.341 0.000 0.949 188 A N 2.373 125.237 122.820 0.073 0.000 2.531 188 A HA 0.080 4.401 4.320 0.001 0.000 0.236 188 A C 1.703 179.334 177.584 0.078 0.000 1.062 188 A CA 0.457 52.559 52.037 0.108 0.000 0.760 188 A CB -0.936 18.178 19.000 0.191 0.000 0.995 188 A HN 0.601 nan 8.150 nan 0.000 0.501 189 T N 1.163 115.753 114.554 0.060 0.000 2.635 189 T HA -0.156 4.194 4.350 0.001 0.000 0.267 189 T C 1.146 175.881 174.700 0.060 0.000 1.040 189 T CA 2.025 64.148 62.100 0.039 0.000 1.156 189 T CB -0.194 68.688 68.868 0.023 0.000 0.863 189 T HN 0.714 nan 8.240 nan 0.000 0.430 190 Q N 0.747 120.592 119.800 0.075 0.000 2.348 190 Q HA 0.428 4.768 4.340 0.001 0.000 0.251 190 Q C 0.761 176.862 176.000 0.168 0.000 1.113 190 Q CA 0.588 56.444 55.803 0.090 0.000 0.902 190 Q CB -0.090 28.666 28.738 0.031 0.000 1.333 190 Q HN 0.502 nan 8.270 nan 0.000 0.457 191 G N 1.845 110.741 108.800 0.160 0.000 2.255 191 G HA2 -0.216 3.745 3.960 0.001 0.000 0.196 191 G HA3 -0.216 3.745 3.960 0.001 0.000 0.196 191 G C 1.071 176.074 174.900 0.172 0.000 0.998 191 G CA 0.217 45.429 45.100 0.186 0.000 0.656 191 G HN 0.528 nan 8.290 nan 0.000 0.490 192 S N 0.362 116.139 115.700 0.129 0.000 2.383 192 S HA 0.089 4.560 4.470 0.001 0.000 0.227 192 S C 2.403 177.100 174.600 0.161 0.000 1.026 192 S CA 1.375 59.636 58.200 0.101 0.000 0.981 192 S CB -0.200 63.021 63.200 0.035 0.000 0.818 192 S HN 0.472 nan 8.310 nan 0.000 0.472 193 L N 0.943 122.275 121.223 0.182 0.000 2.027 193 L HA -0.090 4.250 4.340 0.001 0.000 0.206 193 L C 2.601 179.668 176.870 0.329 0.000 1.074 193 L CA 1.023 56.049 54.840 0.310 0.000 0.745 193 L CB -0.862 41.406 42.059 0.349 0.000 0.898 193 L HN 0.219 nan 8.230 nan 0.000 0.433 194 S N 0.357 116.196 115.700 0.232 0.000 2.365 194 S HA -0.188 4.282 4.470 0.001 0.000 0.225 194 S C 2.054 176.795 174.600 0.234 0.000 1.039 194 S CA 1.480 59.792 58.200 0.188 0.000 1.033 194 S CB -0.835 62.457 63.200 0.153 0.000 0.887 194 S HN 0.630 nan 8.310 nan 0.000 0.447 195 G N 1.277 110.254 108.800 0.294 0.000 2.418 195 G HA2 -0.156 3.805 3.960 0.001 0.000 0.217 195 G HA3 -0.156 3.805 3.960 0.001 0.000 0.217 195 G C 1.360 176.543 174.900 0.472 0.000 1.158 195 G CA 0.726 46.092 45.100 0.442 0.000 0.771 195 G HN 0.490 nan 8.290 nan 0.000 0.545 196 I N 0.221 121.032 120.570 0.401 0.000 2.286 196 I HA -0.128 4.042 4.170 0.001 0.000 0.248 196 I C 2.722 179.051 176.117 0.354 0.000 1.115 196 I CA 0.925 62.483 61.300 0.430 0.000 1.392 196 I CB -0.003 38.240 38.000 0.404 0.000 1.065 196 I HN 0.007 nan 8.210 nan 0.000 0.418 197 K N 0.190 120.743 120.400 0.255 0.000 2.097 197 K HA -0.166 4.155 4.320 0.001 0.000 0.205 197 K C 2.060 178.750 176.600 0.150 0.000 1.050 197 K CA 1.346 57.685 56.287 0.087 0.000 0.938 197 K CB -0.339 32.145 32.500 -0.027 0.000 0.718 197 K HN 0.383 nan 8.250 nan 0.000 0.442 198 M N 0.719 120.456 119.600 0.228 0.000 2.086 198 M HA -0.158 4.323 4.480 0.001 0.000 0.261 198 M C 1.887 178.419 176.300 0.387 0.000 1.067 198 M CA 1.497 56.979 55.300 0.303 0.000 1.116 198 M CB 0.039 32.812 32.600 0.287 0.000 1.348 198 M HN -0.148 nan 8.290 nan 0.000 0.407 199 V N 0.905 121.017 119.914 0.330 0.000 2.427 199 V HA -0.236 3.885 4.120 0.001 0.000 0.248 199 V C 2.022 178.306 176.094 0.317 0.000 1.051 199 V CA 1.923 64.371 62.300 0.247 0.000 1.048 199 V CB -0.852 31.165 31.823 0.324 0.000 0.666 199 V HN 0.528 nan 8.190 nan 0.000 0.456 200 E N 0.406 120.829 120.200 0.373 0.000 2.130 200 E HA -0.279 4.071 4.350 0.001 0.000 0.196 200 E C 2.324 179.026 176.600 0.169 0.000 0.998 200 E CA 1.456 57.988 56.400 0.220 0.000 0.806 200 E CB -0.324 29.294 29.700 -0.137 0.000 0.738 200 E HN 0.629 nan 8.360 nan 0.000 0.459 201 A N 1.175 124.103 122.820 0.181 0.000 1.877 201 A HA -0.184 4.137 4.320 0.001 0.000 0.216 201 A C 2.148 179.848 177.584 0.194 0.000 1.186 201 A CA 1.096 53.271 52.037 0.229 0.000 0.620 201 A CB -0.547 18.661 19.000 0.347 0.000 0.822 201 A HN 0.212 nan 8.150 nan 0.000 0.443 202 L N -0.120 121.056 121.223 -0.079 0.000 2.012 202 L HA -0.109 4.232 4.340 0.001 0.000 0.210 202 L C 2.727 179.486 176.870 -0.184 0.000 1.073 202 L CA 2.285 56.801 54.840 -0.540 0.000 0.748 202 L CB -1.112 40.250 42.059 -1.162 0.000 0.891 202 L HN 0.372 nan 8.230 nan 0.000 0.431 203 A N -0.902 121.903 122.820 -0.026 0.000 1.902 203 A HA -0.219 4.102 4.320 0.001 0.000 0.217 203 A C 1.941 179.580 177.584 0.092 0.000 1.181 203 A CA 1.848 53.925 52.037 0.067 0.000 0.623 203 A CB -0.846 18.328 19.000 0.291 0.000 0.818 203 A HN 0.532 nan 8.150 nan 0.000 0.443 204 D N 0.019 120.488 120.400 0.115 0.000 2.263 204 D HA 0.010 4.651 4.640 0.001 0.000 0.208 204 D C 1.915 178.265 176.300 0.084 0.000 0.971 204 D CA 1.206 55.262 54.000 0.095 0.000 0.867 204 D CB -0.257 40.593 40.800 0.082 0.000 0.929 204 D HN 0.467 nan 8.370 nan 0.000 0.492 205 A N -0.294 122.577 122.820 0.085 0.000 2.119 205 A HA 0.368 4.689 4.320 0.001 0.000 0.216 205 A C 1.728 179.357 177.584 0.075 0.000 1.152 205 A CA 1.201 53.299 52.037 0.101 0.000 0.708 205 A CB 0.000 19.091 19.000 0.151 0.000 0.805 205 A HN 0.261 nan 8.150 nan 0.000 0.460 206 G N -2.015 106.809 108.800 0.040 0.000 2.151 206 G HA2 0.223 4.183 3.960 0.001 0.000 0.156 206 G HA3 0.223 4.183 3.960 0.001 0.000 0.156 206 G C 0.259 175.149 174.900 -0.016 0.000 1.017 206 G CA -0.008 45.109 45.100 0.029 0.000 0.686 206 G HN 1.485 nan 8.290 nan 0.000 0.503 207 A N 0.666 123.432 122.820 -0.091 0.000 2.561 207 A HA 0.544 4.865 4.320 0.001 0.000 0.251 207 A C -0.856 176.608 177.584 -0.201 0.000 1.062 207 A CA 0.117 52.023 52.037 -0.219 0.000 0.761 207 A CB -0.079 18.730 19.000 -0.318 0.000 0.986 207 A HN 0.257 nan 8.150 nan 0.000 0.510 208 P HA 0.108 nan 4.420 nan 0.000 0.270 208 P C -0.233 176.951 177.300 -0.195 0.000 1.227 208 P CA -0.205 62.805 63.100 -0.150 0.000 0.788 208 P CB 0.385 32.029 31.700 -0.094 0.000 0.926 209 E N 0.834 120.957 120.200 -0.129 0.000 2.351 209 E HA 0.282 4.633 4.350 0.001 0.000 0.266 209 E C 0.790 177.295 176.600 -0.158 0.000 1.031 209 E CA -0.037 56.279 56.400 -0.140 0.000 0.911 209 E CB -0.567 29.077 29.700 -0.093 0.000 0.986 209 E HN 0.731 nan 8.360 nan 0.000 0.446 210 G N 3.614 112.299 108.800 -0.193 0.000 2.234 210 G HA2 -0.280 3.681 3.960 0.001 0.000 0.235 210 G HA3 -0.280 3.681 3.960 0.001 0.000 0.235 210 G C 0.775 175.545 174.900 -0.217 0.000 0.997 210 G CA 0.118 45.112 45.100 -0.177 0.000 0.623 210 G HN 0.529 nan 8.290 nan 0.000 0.514 211 I N 0.303 120.688 120.570 -0.309 0.000 2.264 211 I HA 0.093 4.264 4.170 0.001 0.000 0.248 211 I C 1.302 177.196 176.117 -0.373 0.000 1.111 211 I CA 1.180 62.204 61.300 -0.460 0.000 1.382 211 I CB -0.600 36.930 38.000 -0.783 0.000 1.060 211 I HN 0.429 nan 8.210 nan 0.000 0.418 212 I N 1.020 121.398 120.570 -0.321 0.000 2.478 212 I HA 0.288 4.459 4.170 0.001 0.000 0.287 212 I C -0.876 175.119 176.117 -0.204 0.000 1.042 212 I CA -0.368 60.786 61.300 -0.244 0.000 1.067 212 I CB 1.310 39.136 38.000 -0.289 0.000 1.233 212 I HN -0.018 nan 8.210 nan 0.000 0.431 213 Q N 6.483 126.205 119.800 -0.131 0.000 2.312 213 Q HA 0.586 4.927 4.340 0.001 0.000 0.263 213 Q C -1.081 174.892 176.000 -0.044 0.000 0.995 213 Q CA -0.880 54.846 55.803 -0.128 0.000 0.853 213 Q CB 2.646 31.314 28.738 -0.116 0.000 1.300 213 Q HN 0.480 nan 8.270 nan 0.000 0.448 214 V N 2.225 122.097 119.914 -0.070 0.000 2.427 214 V HA 0.473 4.594 4.120 0.001 0.000 0.286 214 V C 0.131 176.175 176.094 -0.082 0.000 1.034 214 V CA -0.809 61.473 62.300 -0.030 0.000 0.893 214 V CB 1.459 33.301 31.823 0.033 0.000 0.982 214 V HN 0.587 nan 8.190 nan 0.000 0.452 215 V N 1.802 121.644 119.914 -0.120 0.000 2.483 215 V HA 0.920 5.041 4.120 0.001 0.000 0.297 215 V C -0.142 175.881 176.094 -0.119 0.000 1.027 215 V CA -0.304 61.939 62.300 -0.095 0.000 0.855 215 V CB 1.429 33.214 31.823 -0.064 0.000 0.995 215 V HN 0.932 nan 8.190 nan 0.000 0.424 216 T N 0.891 115.398 114.554 -0.078 0.000 2.924 216 T HA 1.023 5.373 4.350 0.001 0.000 0.291 216 T C 0.150 174.827 174.700 -0.037 0.000 1.045 216 T CA -0.297 61.762 62.100 -0.068 0.000 1.015 216 T CB 1.689 70.523 68.868 -0.056 0.000 1.103 216 T HN 2.275 nan 8.240 nan 0.000 0.496 217 G N 0.841 109.625 108.800 -0.027 0.000 2.352 217 G HA2 0.320 4.281 3.960 0.001 0.000 0.302 217 G HA3 0.320 4.281 3.960 0.001 0.000 0.302 217 G C -1.396 173.501 174.900 -0.004 0.000 1.370 217 G CA -1.300 43.792 45.100 -0.014 0.000 0.918 217 G HN 0.821 nan 8.290 nan 0.000 0.610 218 R N -0.290 120.209 120.500 -0.001 0.000 2.641 218 R HA 0.407 4.748 4.340 0.001 0.000 0.269 218 R C 1.798 178.105 176.300 0.011 0.000 1.074 218 R CA 0.205 56.307 56.100 0.004 0.000 1.133 218 R CB 0.691 30.991 30.300 -0.000 0.000 1.029 218 R HN 0.821 nan 8.270 nan 0.000 0.488 219 G N 0.264 109.074 108.800 0.015 0.000 2.479 219 G HA2 -0.264 3.696 3.960 0.001 0.000 0.220 219 G HA3 -0.264 3.696 3.960 0.001 0.000 0.220 219 G C 1.036 175.945 174.900 0.015 0.000 1.115 219 G CA 1.066 46.178 45.100 0.021 0.000 0.757 219 G HN 0.635 nan 8.290 nan 0.000 0.560 220 S N -1.205 114.501 115.700 0.010 0.000 2.603 220 S HA 0.297 4.768 4.470 0.001 0.000 0.232 220 S C 1.624 176.227 174.600 0.006 0.000 1.016 220 S CA 0.316 58.521 58.200 0.007 0.000 0.976 220 S CB 0.853 64.055 63.200 0.002 0.000 0.921 220 S HN 0.012 nan 8.310 nan 0.000 0.516 221 V N 2.136 122.054 119.914 0.006 0.000 2.500 221 V HA 0.232 4.353 4.120 0.001 0.000 0.243 221 V C 1.944 178.045 176.094 0.011 0.000 1.039 221 V CA 1.581 63.880 62.300 -0.001 0.000 1.053 221 V CB -0.272 31.548 31.823 -0.006 0.000 0.695 221 V HN 0.811 nan 8.190 nan 0.000 0.463 222 I N -3.387 117.204 120.570 0.035 0.000 4.338 222 I HA 0.486 4.657 4.170 0.001 0.000 0.329 222 I C 1.801 177.976 176.117 0.095 0.000 1.378 222 I CA 0.696 62.044 61.300 0.079 0.000 1.170 222 I CB -0.002 38.037 38.000 0.064 0.000 1.206 222 I HN 0.056 nan 8.210 nan 0.000 0.432 223 G N 1.996 110.831 108.800 0.059 0.000 2.484 223 G HA2 -0.201 3.759 3.960 0.001 0.000 0.215 223 G HA3 -0.201 3.759 3.960 0.001 0.000 0.215 223 G C 1.042 175.966 174.900 0.041 0.000 1.219 223 G CA 1.565 46.689 45.100 0.040 0.000 0.791 223 G HN 0.358 nan 8.290 nan 0.000 0.550 224 D N -0.236 120.192 120.400 0.047 0.000 2.117 224 D HA -0.085 4.556 4.640 0.001 0.000 0.197 224 D C 2.043 178.392 176.300 0.082 0.000 0.987 224 D CA 1.304 55.330 54.000 0.043 0.000 0.829 224 D CB -0.598 40.225 40.800 0.037 0.000 0.961 224 D HN 0.422 nan 8.370 nan 0.000 0.460 225 H N 0.859 119.941 119.070 0.021 0.000 2.289 225 H HA -0.080 4.477 4.556 0.001 0.000 0.296 225 H C 2.213 177.593 175.328 0.087 0.000 1.091 225 H CA 1.437 57.514 56.048 0.048 0.000 1.274 225 H CB -0.617 29.174 29.762 0.049 0.000 1.364 225 H HN 0.041 nan 8.280 nan 0.000 0.490 226 L N -0.679 120.546 121.223 0.004 0.000 1.990 226 L HA -0.217 4.123 4.340 0.001 0.000 0.213 226 L C 2.615 179.469 176.870 -0.028 0.000 1.072 226 L CA 1.494 56.303 54.840 -0.052 0.000 0.755 226 L CB -0.415 41.644 42.059 -0.000 0.000 0.889 226 L HN 0.226 nan 8.230 nan 0.000 0.432 227 V N -0.773 119.137 119.914 -0.007 0.000 2.626 227 V HA -0.248 3.873 4.120 0.001 0.000 0.252 227 V C 1.883 177.974 176.094 -0.005 0.000 1.067 227 V CA 1.663 63.959 62.300 -0.008 0.000 1.081 227 V CB -0.425 31.383 31.823 -0.025 0.000 0.686 227 V HN 0.453 nan 8.190 nan 0.000 0.468 228 E N -1.883 118.311 120.200 -0.010 0.000 2.474 228 E HA 0.045 4.396 4.350 0.001 0.000 0.195 228 E C 0.672 177.250 176.600 -0.037 0.000 1.039 228 E CA -0.247 56.143 56.400 -0.017 0.000 0.881 228 E CB 0.142 29.836 29.700 -0.009 0.000 0.970 228 E HN 0.543 nan 8.360 nan 0.000 0.486 229 H N 1.963 120.948 119.070 -0.142 0.000 2.848 229 H HA 0.024 4.581 4.556 0.001 0.000 0.317 229 H C -1.582 173.694 175.328 -0.087 0.000 1.046 229 H CA -1.573 54.374 56.048 -0.169 0.000 1.470 229 H CB 1.239 30.848 29.762 -0.255 0.000 1.483 229 H HN 0.008 nan 8.280 nan 0.000 0.548 230 P HA -0.063 nan 4.420 nan 0.000 0.228 230 P C 1.223 178.596 177.300 0.122 0.000 1.151 230 P CA 0.961 64.057 63.100 -0.005 0.000 0.770 230 P CB 0.044 31.695 31.700 -0.082 0.000 0.786 231 G N -0.471 108.555 108.800 0.377 0.000 2.712 231 G HA2 0.004 3.964 3.960 0.001 0.000 0.212 231 G HA3 0.004 3.964 3.960 0.001 0.000 0.212 231 G C 0.612 175.560 174.900 0.079 0.000 1.142 231 G CA 0.011 45.234 45.100 0.205 0.000 0.789 231 G HN 0.137 nan 8.290 nan 0.000 0.535 232 I N 1.968 122.589 120.570 0.085 0.000 2.337 232 I HA 0.230 4.400 4.170 0.001 0.000 0.291 232 I C -0.081 176.058 176.117 0.037 0.000 1.046 232 I CA -1.177 60.142 61.300 0.032 0.000 1.324 232 I CB 1.335 39.348 38.000 0.021 0.000 1.409 232 I HN -0.013 nan 8.210 nan 0.000 0.494 233 D N 6.157 126.576 120.400 0.032 0.000 2.349 233 D HA 0.151 4.791 4.640 0.001 0.000 0.214 233 D C 0.431 176.752 176.300 0.036 0.000 1.063 233 D CA 0.596 54.616 54.000 0.033 0.000 0.847 233 D CB 0.955 41.775 40.800 0.033 0.000 0.933 233 D HN 0.329 nan 8.370 nan 0.000 0.513 234 M N 0.963 120.587 119.600 0.040 0.000 2.389 234 M HA 0.230 4.711 4.480 0.001 0.000 0.287 234 M C -2.356 173.980 176.300 0.059 0.000 1.063 234 M CA -0.241 55.088 55.300 0.049 0.000 0.913 234 M CB 1.827 34.458 32.600 0.053 0.000 1.883 234 M HN -0.263 nan 8.290 nan 0.000 0.508 235 I N 3.520 124.132 120.570 0.069 0.000 2.436 235 I HA 0.468 4.639 4.170 0.001 0.000 0.289 235 I C -0.269 175.920 176.117 0.121 0.000 1.010 235 I CA -0.455 60.901 61.300 0.093 0.000 1.098 235 I CB 2.503 40.551 38.000 0.080 0.000 1.266 235 I HN 0.601 nan 8.210 nan 0.000 0.434 236 T N 5.270 119.912 114.554 0.147 0.000 2.779 236 T HA 0.551 4.901 4.350 0.001 0.000 0.280 236 T C -0.819 174.026 174.700 0.242 0.000 0.987 236 T CA -0.524 61.677 62.100 0.169 0.000 0.966 236 T CB 1.278 70.224 68.868 0.131 0.000 0.933 236 T HN 0.332 nan 8.240 nan 0.000 0.442 237 F N 1.904 121.906 119.950 0.087 0.000 2.556 237 F HA 0.634 5.162 4.527 0.001 0.000 0.314 237 F C -0.817 175.044 175.800 0.101 0.000 1.106 237 F CA -0.391 57.664 58.000 0.091 0.000 0.911 237 F CB 1.954 40.999 39.000 0.075 0.000 1.190 237 F HN 0.477 nan 8.300 nan 0.000 0.448 238 T N 4.439 118.547 114.554 -0.743 0.000 2.824 238 T HA 0.832 5.183 4.350 0.001 0.000 0.282 238 T C -0.194 173.796 174.700 -1.183 0.000 0.993 238 T CA -0.108 61.570 62.100 -0.702 0.000 0.967 238 T CB 1.291 70.011 68.868 -0.247 0.000 0.960 238 T HN 1.175 nan 8.240 nan 0.000 0.441 239 G N 1.400 109.709 108.800 -0.819 0.000 2.368 239 G HA2 0.478 4.439 3.960 0.001 0.000 0.269 239 G HA3 0.478 4.439 3.960 0.001 0.000 0.269 239 G C -0.242 174.677 174.900 0.031 0.000 1.291 239 G CA -0.333 44.523 45.100 -0.406 0.000 0.903 239 G HN 0.865 nan 8.290 nan 0.000 0.483 240 G N -0.746 108.168 108.800 0.191 0.000 2.491 240 G HA2 0.460 4.420 3.960 0.001 0.000 0.242 240 G HA3 0.460 4.420 3.960 0.001 0.000 0.242 240 G C 1.138 176.188 174.900 0.250 0.000 1.266 240 G CA 1.051 46.231 45.100 0.133 0.000 0.844 240 G HN 0.876 nan 8.290 nan 0.000 0.571 241 T N 1.683 116.350 114.554 0.188 0.000 2.674 241 T HA -0.169 4.182 4.350 0.001 0.000 0.265 241 T C 2.727 177.499 174.700 0.119 0.000 1.039 241 T CA 1.980 64.199 62.100 0.198 0.000 1.150 241 T CB -0.547 68.463 68.868 0.237 0.000 0.864 241 T HN 0.542 nan 8.240 nan 0.000 0.427 242 T N 2.237 116.838 114.554 0.078 0.000 2.592 242 T HA -0.199 4.151 4.350 0.001 0.000 0.267 242 T C 2.252 176.947 174.700 -0.009 0.000 1.060 242 T CA 2.123 64.240 62.100 0.028 0.000 1.167 242 T CB -1.023 67.856 68.868 0.018 0.000 0.863 242 T HN 0.461 nan 8.240 nan 0.000 0.431 243 T N 1.002 115.552 114.554 -0.005 0.000 2.746 243 T HA -0.042 4.309 4.350 0.001 0.000 0.267 243 T C 2.240 176.743 174.700 -0.329 0.000 1.039 243 T CA 1.312 63.341 62.100 -0.119 0.000 1.142 243 T CB -0.963 67.884 68.868 -0.035 0.000 0.866 243 T HN 0.541 nan 8.240 nan 0.000 0.444 244 G N 1.132 109.766 108.800 -0.277 0.000 2.440 244 G HA2 -0.211 3.749 3.960 0.001 0.000 0.218 244 G HA3 -0.211 3.749 3.960 0.001 0.000 0.218 244 G C 1.467 176.282 174.900 -0.141 0.000 1.154 244 G CA 0.765 45.681 45.100 -0.306 0.000 0.767 244 G HN 0.514 nan 8.290 nan 0.000 0.552 245 E N -0.336 119.829 120.200 -0.058 0.000 2.051 245 E HA -0.098 4.253 4.350 0.001 0.000 0.192 245 E C 2.530 179.091 176.600 -0.064 0.000 0.991 245 E CA 0.629 57.007 56.400 -0.038 0.000 0.799 245 E CB -0.122 29.569 29.700 -0.015 0.000 0.748 245 E HN 0.359 nan 8.360 nan 0.000 0.449 246 R N 0.826 121.274 120.500 -0.087 0.000 2.081 246 R HA -0.150 4.191 4.340 0.001 0.000 0.235 246 R C 2.274 178.512 176.300 -0.104 0.000 1.131 246 R CA 1.191 57.240 56.100 -0.085 0.000 0.960 246 R CB -0.201 30.048 30.300 -0.085 0.000 0.856 246 R HN 0.166 nan 8.270 nan 0.000 0.436 247 I N 0.019 120.485 120.570 -0.173 0.000 2.179 247 I HA -0.298 3.872 4.170 0.001 0.000 0.242 247 I C 2.575 178.636 176.117 -0.094 0.000 1.088 247 I CA 1.425 62.623 61.300 -0.171 0.000 1.357 247 I CB -0.417 37.392 38.000 -0.317 0.000 1.051 247 I HN 0.270 nan 8.210 nan 0.000 0.409 248 S N 0.350 116.003 115.700 -0.077 0.000 2.353 248 S HA -0.292 4.178 4.470 0.001 0.000 0.222 248 S C 2.112 176.695 174.600 -0.029 0.000 1.035 248 S CA 1.969 60.148 58.200 -0.034 0.000 1.025 248 S CB -0.363 62.826 63.200 -0.018 0.000 0.902 248 S HN 0.443 nan 8.310 nan 0.000 0.440 249 E N 0.420 120.600 120.200 -0.034 0.000 2.070 249 E HA -0.223 4.128 4.350 0.001 0.000 0.197 249 E C 1.965 178.551 176.600 -0.025 0.000 1.004 249 E CA 1.359 57.743 56.400 -0.027 0.000 0.805 249 E CB -0.134 29.549 29.700 -0.028 0.000 0.744 249 E HN 0.533 nan 8.360 nan 0.000 0.451 250 K N 0.066 120.447 120.400 -0.031 0.000 2.186 250 K HA 0.105 4.426 4.320 0.001 0.000 0.202 250 K C 0.926 177.515 176.600 -0.019 0.000 1.052 250 K CA 0.399 56.671 56.287 -0.025 0.000 0.965 250 K CB 0.079 32.563 32.500 -0.027 0.000 0.746 250 K HN 0.055 nan 8.250 nan 0.000 0.457 251 A N 2.305 125.112 122.820 -0.021 0.000 2.483 251 A HA 0.088 4.409 4.320 0.001 0.000 0.238 251 A C -0.198 177.382 177.584 -0.007 0.000 1.070 251 A CA 0.354 52.385 52.037 -0.011 0.000 0.770 251 A CB 0.186 19.181 19.000 -0.007 0.000 1.008 251 A HN 0.157 nan 8.150 nan 0.000 0.497 252 K N 1.795 122.193 120.400 -0.003 0.000 2.513 252 K HA 0.476 4.797 4.320 0.001 0.000 0.251 252 K C -0.299 176.301 176.600 0.002 0.000 0.939 252 K CA -0.760 55.525 56.287 -0.003 0.000 0.793 252 K CB 0.813 33.309 32.500 -0.007 0.000 1.241 252 K HN 0.643 nan 8.250 nan 0.000 0.431 253 M N 2.392 121.994 119.600 0.003 0.000 2.899 253 M HA -0.227 4.254 4.480 0.001 0.000 0.195 253 M C -0.558 175.748 176.300 0.010 0.000 0.603 253 M CA 1.232 56.535 55.300 0.005 0.000 0.712 253 M CB -2.510 30.092 32.600 0.003 0.000 2.569 253 M HN 0.645 nan 8.290 nan 0.000 0.406 254 I N -2.130 118.448 120.570 0.013 0.000 2.865 254 I HA 0.807 4.978 4.170 0.001 0.000 0.302 254 I C -2.325 173.805 176.117 0.023 0.000 1.140 254 I CA -2.085 59.226 61.300 0.020 0.000 1.021 254 I CB 2.307 40.321 38.000 0.023 0.000 1.233 254 I HN -0.192 nan 8.210 nan 0.000 0.427 255 P HA 0.266 nan 4.420 nan 0.000 0.271 255 P C -0.883 176.442 177.300 0.043 0.000 1.216 255 P CA -0.156 62.964 63.100 0.034 0.000 0.776 255 P CB 1.481 33.203 31.700 0.036 0.000 0.881 256 V N 3.154 123.096 119.914 0.047 0.000 2.686 256 V HA 0.282 4.402 4.120 0.001 0.000 0.306 256 V C -0.094 176.045 176.094 0.075 0.000 1.065 256 V CA -0.686 61.650 62.300 0.060 0.000 0.894 256 V CB 2.519 34.369 31.823 0.046 0.000 1.004 256 V HN 0.272 nan 8.190 nan 0.000 0.424 257 V N 6.206 126.181 119.914 0.102 0.000 2.495 257 V HA 0.591 4.712 4.120 0.001 0.000 0.298 257 V C -0.560 175.634 176.094 0.166 0.000 1.031 257 V CA -0.461 61.907 62.300 0.113 0.000 0.871 257 V CB 1.893 33.778 31.823 0.104 0.000 0.988 257 V HN 0.658 nan 8.190 nan 0.000 0.432 258 L N 4.782 126.103 121.223 0.164 0.000 2.381 258 L HA 0.644 4.985 4.340 0.001 0.000 0.274 258 L C -0.640 176.340 176.870 0.183 0.000 0.988 258 L CA -0.654 54.329 54.840 0.238 0.000 0.824 258 L CB 2.195 44.394 42.059 0.233 0.000 1.263 258 L HN 0.818 nan 8.230 nan 0.000 0.410 259 E N 4.554 124.856 120.200 0.171 0.000 2.145 259 E HA 0.679 5.030 4.350 0.001 0.000 0.262 259 E C -1.327 175.350 176.600 0.129 0.000 0.883 259 E CA -0.533 55.955 56.400 0.147 0.000 0.748 259 E CB 1.401 31.238 29.700 0.228 0.000 1.140 259 E HN 0.464 nan 8.360 nan 0.000 0.417 260 L N 1.930 123.255 121.223 0.170 0.000 2.558 260 L HA 0.725 5.066 4.340 0.001 0.000 0.260 260 L C 1.154 178.137 176.870 0.189 0.000 1.130 260 L CA -1.396 53.565 54.840 0.201 0.000 1.049 260 L CB 0.316 42.527 42.059 0.253 0.000 1.758 260 L HN 0.701 nan 8.230 nan 0.000 0.555 261 G N -1.185 107.743 108.800 0.213 0.000 2.664 261 G HA2 0.447 4.408 3.960 0.001 0.000 0.242 261 G HA3 0.447 4.408 3.960 0.001 0.000 0.242 261 G C -0.390 174.467 174.900 -0.072 0.000 1.225 261 G CA 0.266 45.423 45.100 0.094 0.000 0.849 261 G HN 0.758 nan 8.290 nan 0.000 0.581 262 G N -1.004 107.630 108.800 -0.276 0.000 2.612 262 G HA2 0.517 4.478 3.960 0.001 0.000 0.298 262 G HA3 0.517 4.478 3.960 0.001 0.000 0.298 262 G C -0.927 173.723 174.900 -0.417 0.000 1.336 262 G CA -0.683 44.250 45.100 -0.278 0.000 0.953 262 G HN 0.557 nan 8.290 nan 0.000 0.482 263 K N 1.247 121.511 120.400 -0.227 0.000 3.146 263 K HA 0.285 4.606 4.320 0.001 0.000 0.168 263 K C -0.797 175.826 176.600 0.039 0.000 1.075 263 K CA -0.529 55.717 56.287 -0.069 0.000 0.843 263 K CB 0.032 32.585 32.500 0.088 0.000 1.002 263 K HN 0.390 nan 8.250 nan 0.000 0.597 264 D N 3.229 123.637 120.400 0.014 0.000 2.417 264 D HA 0.072 4.713 4.640 0.001 0.000 0.250 264 D C -2.313 174.009 176.300 0.037 0.000 1.166 264 D CA -1.102 52.930 54.000 0.053 0.000 0.881 264 D CB 0.876 41.704 40.800 0.047 0.000 1.164 264 D HN 0.263 nan 8.370 nan 0.000 0.467 265 P HA 0.346 nan 4.420 nan 0.000 0.296 265 P C -1.431 175.944 177.300 0.125 0.000 1.301 265 P CA -0.841 62.310 63.100 0.084 0.000 0.862 265 P CB 1.475 33.356 31.700 0.302 0.000 1.046 266 A N 4.787 127.669 122.820 0.103 0.000 2.253 266 A HA 0.518 4.839 4.320 0.001 0.000 0.316 266 A C 0.223 177.965 177.584 0.264 0.000 1.327 266 A CA -0.808 51.375 52.037 0.242 0.000 0.917 266 A CB -0.297 18.893 19.000 0.318 0.000 1.162 266 A HN 0.471 nan 8.150 nan 0.000 0.535 267 I N 3.160 123.909 120.570 0.298 0.000 2.371 267 I HA 0.283 4.454 4.170 0.001 0.000 0.290 267 I C -0.632 175.661 176.117 0.294 0.000 1.028 267 I CA -0.409 61.062 61.300 0.285 0.000 1.345 267 I CB 1.516 39.642 38.000 0.210 0.000 1.407 267 I HN 0.294 nan 8.210 nan 0.000 0.501 268 V N 7.602 127.655 119.914 0.231 0.000 2.376 268 V HA 0.399 4.520 4.120 0.001 0.000 0.287 268 V C 0.149 176.323 176.094 0.133 0.000 1.015 268 V CA -0.566 61.852 62.300 0.195 0.000 0.834 268 V CB 1.414 33.297 31.823 0.100 0.000 1.001 268 V HN 0.522 nan 8.190 nan 0.000 0.428 269 L N 3.129 124.430 121.223 0.129 0.000 2.416 269 L HA 0.425 4.766 4.340 0.001 0.000 0.262 269 L C 1.431 178.343 176.870 0.069 0.000 1.093 269 L CA -0.505 54.388 54.840 0.087 0.000 0.801 269 L CB 1.203 43.309 42.059 0.078 0.000 1.191 269 L HN 0.821 nan 8.230 nan 0.000 0.459 270 D N -1.414 119.016 120.400 0.050 0.000 2.312 270 D HA -0.194 4.446 4.640 0.001 0.000 0.211 270 D C 0.952 177.274 176.300 0.037 0.000 0.964 270 D CA 0.617 54.640 54.000 0.038 0.000 0.877 270 D CB -0.073 40.745 40.800 0.029 0.000 0.924 270 D HN 0.610 nan 8.370 nan 0.000 0.515 271 D N 0.616 121.042 120.400 0.043 0.000 2.336 271 D HA 0.076 4.717 4.640 0.001 0.000 0.229 271 D C 0.575 176.907 176.300 0.053 0.000 1.061 271 D CA -0.221 53.803 54.000 0.041 0.000 0.875 271 D CB -0.493 40.329 40.800 0.037 0.000 0.904 271 D HN 0.316 nan 8.370 nan 0.000 0.525 272 A N 0.616 123.476 122.820 0.067 0.000 2.445 272 A HA 0.115 4.435 4.320 0.001 0.000 0.242 272 A C 0.327 177.948 177.584 0.061 0.000 1.075 272 A CA -0.293 51.799 52.037 0.090 0.000 0.777 272 A CB 0.208 19.276 19.000 0.114 0.000 1.013 272 A HN 0.141 nan 8.150 nan 0.000 0.493 273 D N 2.139 122.583 120.400 0.074 0.000 2.348 273 D HA 0.144 4.784 4.640 0.001 0.000 0.259 273 D C 0.906 177.213 176.300 0.012 0.000 1.296 273 D CA 0.058 54.085 54.000 0.046 0.000 0.931 273 D CB 0.159 40.995 40.800 0.061 0.000 1.067 273 D HN 0.452 nan 8.370 nan 0.000 0.503 274 L N 3.177 124.394 121.223 -0.010 0.000 2.465 274 L HA -0.060 4.280 4.340 0.001 0.000 0.224 274 L C 2.230 179.061 176.870 -0.064 0.000 1.145 274 L CA 0.445 55.256 54.840 -0.048 0.000 0.834 274 L CB -0.166 41.871 42.059 -0.036 0.000 0.944 274 L HN 0.174 nan 8.230 nan 0.000 0.451 275 K N 0.103 120.481 120.400 -0.037 0.000 2.166 275 K HA 0.015 4.336 4.320 0.001 0.000 0.201 275 K C 2.013 178.590 176.600 -0.039 0.000 1.052 275 K CA 0.668 56.934 56.287 -0.036 0.000 0.969 275 K CB -0.106 32.384 32.500 -0.017 0.000 0.761 275 K HN 0.142 nan 8.250 nan 0.000 0.459 276 L N 1.505 122.717 121.223 -0.019 0.000 2.056 276 L HA -0.114 4.227 4.340 0.001 0.000 0.207 276 L C 2.001 178.830 176.870 -0.067 0.000 1.078 276 L CA 1.830 56.674 54.840 0.006 0.000 0.749 276 L CB -0.776 41.326 42.059 0.072 0.000 0.901 276 L HN 0.090 nan 8.230 nan 0.000 0.433 277 T N -0.141 114.292 114.554 -0.202 0.000 2.684 277 T HA -0.204 4.147 4.350 0.001 0.000 0.267 277 T C 1.904 176.295 174.700 -0.516 0.000 1.036 277 T CA 1.492 63.189 62.100 -0.672 0.000 1.148 277 T CB -0.605 67.881 68.868 -0.638 0.000 0.863 277 T HN 0.520 nan 8.240 nan 0.000 0.436 278 A N 1.011 123.671 122.820 -0.267 0.000 1.883 278 A HA -0.123 4.198 4.320 0.001 0.000 0.217 278 A C 2.587 180.107 177.584 -0.106 0.000 1.186 278 A CA 2.246 54.185 52.037 -0.164 0.000 0.624 278 A CB -1.209 17.731 19.000 -0.100 0.000 0.822 278 A HN 0.448 nan 8.150 nan 0.000 0.444 279 S N -1.208 114.445 115.700 -0.077 0.000 2.359 279 S HA -0.220 4.251 4.470 0.001 0.000 0.224 279 S C 2.247 176.841 174.600 -0.008 0.000 1.035 279 S CA 1.711 59.894 58.200 -0.028 0.000 1.018 279 S CB -0.381 62.813 63.200 -0.010 0.000 0.876 279 S HN 0.582 nan 8.310 nan 0.000 0.448 280 Q N 0.487 120.280 119.800 -0.011 0.000 2.079 280 Q HA -0.009 4.332 4.340 0.001 0.000 0.200 280 Q C 2.306 178.335 176.000 0.048 0.000 0.974 280 Q CA 1.240 57.084 55.803 0.068 0.000 0.840 280 Q CB -0.529 28.354 28.738 0.242 0.000 0.898 280 Q HN 0.613 nan 8.270 nan 0.000 0.430 281 I N 0.100 120.638 120.570 -0.053 0.000 2.127 281 I HA -0.286 3.885 4.170 0.001 0.000 0.241 281 I C 2.332 178.455 176.117 0.010 0.000 1.075 281 I CA 1.089 62.360 61.300 -0.049 0.000 1.334 281 I CB -0.383 37.529 38.000 -0.148 0.000 1.040 281 I HN -0.005 nan 8.210 nan 0.000 0.405 282 V N -0.020 119.930 119.914 0.061 0.000 2.343 282 V HA -0.312 3.808 4.120 0.001 0.000 0.247 282 V C 2.589 178.804 176.094 0.202 0.000 1.051 282 V CA 2.204 64.630 62.300 0.210 0.000 1.036 282 V CB -0.758 31.145 31.823 0.133 0.000 0.654 282 V HN 0.497 nan 8.190 nan 0.000 0.451 283 S N 0.711 116.469 115.700 0.097 0.000 2.353 283 S HA -0.158 4.313 4.470 0.001 0.000 0.222 283 S C 2.087 176.721 174.600 0.057 0.000 1.035 283 S CA 2.051 60.296 58.200 0.075 0.000 1.025 283 S CB -0.759 62.469 63.200 0.046 0.000 0.902 283 S HN 0.615 nan 8.310 nan 0.000 0.440 284 G N 0.299 109.115 108.800 0.027 0.000 2.408 284 G HA2 0.097 4.058 3.960 0.001 0.000 0.217 284 G HA3 0.097 4.058 3.960 0.001 0.000 0.217 284 G C 1.644 176.504 174.900 -0.067 0.000 1.150 284 G CA 0.877 45.970 45.100 -0.012 0.000 0.776 284 G HN 0.722 nan 8.290 nan 0.000 0.542 285 A N 0.024 122.767 122.820 -0.128 0.000 1.930 285 A HA 0.337 4.657 4.320 0.001 0.000 0.215 285 A C 1.833 179.127 177.584 -0.484 0.000 1.176 285 A CA 0.847 52.666 52.037 -0.364 0.000 0.632 285 A CB -0.237 18.428 19.000 -0.557 0.000 0.819 285 A HN 0.289 nan 8.150 nan 0.000 0.445 286 F N -0.080 119.847 119.950 -0.038 0.000 2.695 286 F HA 0.269 4.797 4.527 0.001 0.000 0.303 286 F C 1.325 177.114 175.800 -0.018 0.000 1.091 286 F CA -0.031 57.947 58.000 -0.037 0.000 1.300 286 F CB 0.020 39.001 39.000 -0.033 0.000 1.071 286 F HN 0.042 nan 8.300 nan 0.000 0.578 287 S N 0.542 116.316 115.700 0.124 0.000 2.593 287 S HA -0.177 4.294 4.470 0.001 0.000 0.300 287 S C 0.343 175.031 174.600 0.146 0.000 1.267 287 S CA -0.064 58.203 58.200 0.113 0.000 1.065 287 S CB -0.439 62.807 63.200 0.077 0.000 0.807 287 S HN 0.435 nan 8.310 nan 0.000 0.499 288 Y N 3.676 123.971 120.300 -0.008 0.000 3.225 288 Y HA -0.331 4.220 4.550 0.001 0.000 0.211 288 Y C 0.832 176.722 175.900 -0.016 0.000 1.223 288 Y CA 1.093 59.172 58.100 -0.035 0.000 1.284 288 Y CB -2.287 36.112 38.460 -0.102 0.000 1.367 288 Y HN 1.023 nan 8.280 nan 0.000 0.566 289 S N -1.615 114.107 115.700 0.036 0.000 3.521 289 S HA -0.145 4.326 4.470 0.001 0.000 0.328 289 S C 1.495 176.056 174.600 -0.067 0.000 1.165 289 S CA 1.483 59.689 58.200 0.010 0.000 0.941 289 S CB -1.708 61.459 63.200 -0.054 0.000 0.951 289 S HN 2.384 nan 8.310 nan 0.000 0.539 290 G N 0.071 108.799 108.800 -0.119 0.000 2.148 290 G HA2 -0.304 3.656 3.960 0.001 0.000 0.254 290 G HA3 -0.304 3.656 3.960 0.001 0.000 0.254 290 G C -0.216 174.424 174.900 -0.433 0.000 0.981 290 G CA 0.415 45.371 45.100 -0.240 0.000 0.670 290 G HN 0.675 nan 8.290 nan 0.000 0.528 291 Q N 0.089 119.583 119.800 -0.510 0.000 3.006 291 Q HA 0.522 4.863 4.340 0.001 0.000 0.260 291 Q C 0.479 175.956 176.000 -0.871 0.000 1.356 291 Q CA 0.095 55.375 55.803 -0.872 0.000 1.070 291 Q CB 0.370 28.737 28.738 -0.618 0.000 1.507 291 Q HN 0.520 nan 8.270 nan 0.000 0.568 292 R N -0.493 119.335 120.500 -1.120 0.000 2.594 292 R HA 0.238 4.579 4.340 0.001 0.000 0.265 292 R C -0.190 175.966 176.300 -0.240 0.000 1.070 292 R CA -0.621 55.246 56.100 -0.389 0.000 0.909 292 R CB 0.703 30.956 30.300 -0.079 0.000 1.243 292 R HN 0.376 nan 8.270 nan 0.000 0.455 293 C N 0.140 119.512 119.300 0.120 0.000 2.466 293 C HA -0.010 4.451 4.460 0.001 0.000 0.278 293 C C 0.959 176.011 174.990 0.104 0.000 1.288 293 C CA 0.676 59.816 59.018 0.204 0.000 1.722 293 C CB -0.156 27.733 27.740 0.249 0.000 2.017 293 C HN 0.666 nan 8.230 nan 0.000 0.488 294 T N 1.804 116.427 114.554 0.115 0.000 2.811 294 T HA 0.599 4.949 4.350 0.001 0.000 0.309 294 T C -0.242 174.475 174.700 0.028 0.000 1.005 294 T CA 0.355 62.526 62.100 0.118 0.000 0.955 294 T CB 0.329 69.321 68.868 0.207 0.000 0.970 294 T HN 0.565 nan 8.240 nan 0.000 0.496 295 A N 3.466 126.283 122.820 -0.006 0.000 2.594 295 A HA 0.554 4.875 4.320 0.001 0.000 0.296 295 A C -0.943 176.603 177.584 -0.063 0.000 1.056 295 A CA -0.902 51.102 52.037 -0.056 0.000 0.693 295 A CB 0.894 19.825 19.000 -0.114 0.000 1.278 295 A HN 0.565 nan 8.150 nan 0.000 0.408 296 I N 1.856 122.384 120.570 -0.070 0.000 2.664 296 I HA 0.088 4.259 4.170 0.001 0.000 0.284 296 I C 0.886 176.914 176.117 -0.150 0.000 1.154 296 I CA 0.907 62.163 61.300 -0.074 0.000 1.402 296 I CB 0.092 38.067 38.000 -0.042 0.000 1.395 296 I HN 0.793 nan 8.210 nan 0.000 0.545 297 K N 5.629 125.946 120.400 -0.137 0.000 2.438 297 K HA 0.300 4.621 4.320 0.001 0.000 0.206 297 K C 0.208 176.688 176.600 -0.200 0.000 1.081 297 K CA -0.106 56.078 56.287 -0.173 0.000 1.053 297 K CB 0.962 33.385 32.500 -0.129 0.000 0.908 297 K HN 0.429 nan 8.250 nan 0.000 0.556 298 R N 0.957 121.318 120.500 -0.231 0.000 2.548 298 R HA 0.364 4.705 4.340 0.001 0.000 0.280 298 R C -1.521 174.512 176.300 -0.446 0.000 1.061 298 R CA -0.577 55.283 56.100 -0.400 0.000 0.915 298 R CB 2.510 32.539 30.300 -0.453 0.000 1.210 298 R HN -0.170 nan 8.270 nan 0.000 0.442 299 V N 4.121 123.729 119.914 -0.511 0.000 2.417 299 V HA 0.509 4.629 4.120 0.001 0.000 0.291 299 V C -0.916 174.852 176.094 -0.542 0.000 1.024 299 V CA -0.654 61.416 62.300 -0.384 0.000 0.861 299 V CB 1.433 33.138 31.823 -0.195 0.000 0.985 299 V HN 0.515 nan 8.190 nan 0.000 0.436 300 F N 3.997 123.948 119.950 0.001 0.000 2.347 300 F HA 0.595 5.124 4.527 0.003 0.000 0.366 300 F C 0.006 175.817 175.800 0.018 0.000 1.107 300 F CA -0.746 57.254 58.000 0.001 0.000 1.058 300 F CB 1.791 40.796 39.000 0.008 0.000 1.236 300 F HN 0.287 nan 8.300 nan 0.000 0.456 301 V N 4.841 124.849 119.914 0.156 0.000 2.448 301 V HA 0.401 4.522 4.120 0.001 0.000 0.295 301 V C -0.134 176.011 176.094 0.085 0.000 1.025 301 V CA -0.487 61.870 62.300 0.094 0.000 0.859 301 V CB 1.590 33.433 31.823 0.032 0.000 0.988 301 V HN 0.744 nan 8.190 nan 0.000 0.431 302 Q N 3.618 123.462 119.800 0.073 0.000 2.428 302 Q HA 0.006 4.347 4.340 0.001 0.000 0.276 302 Q C 0.501 176.524 176.000 0.039 0.000 1.059 302 Q CA 0.212 56.047 55.803 0.053 0.000 0.923 302 Q CB 0.728 29.493 28.738 0.045 0.000 1.283 302 Q HN 0.775 nan 8.270 nan 0.000 0.447 303 D N 0.512 120.931 120.400 0.032 0.000 2.092 303 D HA -0.171 4.470 4.640 0.001 0.000 0.193 303 D C 1.841 178.152 176.300 0.018 0.000 0.994 303 D CA 1.787 55.801 54.000 0.024 0.000 0.828 303 D CB -0.247 40.566 40.800 0.021 0.000 0.963 303 D HN 0.546 nan 8.370 nan 0.000 0.450 304 S N 0.170 115.881 115.700 0.017 0.000 2.419 304 S HA -0.132 4.339 4.470 0.001 0.000 0.235 304 S C 1.907 176.513 174.600 0.011 0.000 1.019 304 S CA 1.654 59.861 58.200 0.013 0.000 0.982 304 S CB -0.056 63.152 63.200 0.014 0.000 0.789 304 S HN 0.188 nan 8.310 nan 0.000 0.490 305 V N -1.799 118.122 119.914 0.013 0.000 3.643 305 V HA 0.605 4.726 4.120 0.001 0.000 0.280 305 V C 2.331 178.426 176.094 0.001 0.000 1.351 305 V CA 0.482 62.786 62.300 0.007 0.000 1.073 305 V CB -0.850 30.979 31.823 0.010 0.000 0.863 305 V HN 0.402 nan 8.190 nan 0.000 0.436 306 A N 1.503 124.326 122.820 0.005 0.000 1.903 306 A HA -0.303 4.018 4.320 0.001 0.000 0.219 306 A C 1.783 179.362 177.584 -0.009 0.000 1.191 306 A CA 2.776 54.813 52.037 -0.001 0.000 0.638 306 A CB -0.947 18.057 19.000 0.006 0.000 0.823 306 A HN 0.569 nan 8.150 nan 0.000 0.451 307 D N -1.600 118.797 120.400 -0.005 0.000 2.097 307 D HA -0.126 4.515 4.640 0.001 0.000 0.195 307 D C 2.175 178.468 176.300 -0.012 0.000 0.989 307 D CA 1.651 55.647 54.000 -0.008 0.000 0.827 307 D CB -0.187 40.611 40.800 -0.005 0.000 0.966 307 D HN 0.487 nan 8.370 nan 0.000 0.456 308 Q N 0.004 119.797 119.800 -0.012 0.000 2.119 308 Q HA -0.074 4.266 4.340 0.001 0.000 0.201 308 Q C 1.893 177.878 176.000 -0.025 0.000 0.972 308 Q CA 0.848 56.641 55.803 -0.016 0.000 0.847 308 Q CB -0.393 28.338 28.738 -0.012 0.000 0.903 308 Q HN 0.299 nan 8.270 nan 0.000 0.433 309 L N -0.765 120.441 121.223 -0.028 0.000 1.976 309 L HA -0.121 4.220 4.340 0.001 0.000 0.209 309 L C 2.199 179.043 176.870 -0.044 0.000 1.071 309 L CA 1.591 56.404 54.840 -0.045 0.000 0.746 309 L CB -1.007 41.021 42.059 -0.051 0.000 0.890 309 L HN 0.143 nan 8.230 nan 0.000 0.432 310 V N 0.080 119.974 119.914 -0.034 0.000 2.324 310 V HA -0.378 3.742 4.120 0.001 0.000 0.250 310 V C 2.738 178.816 176.094 -0.026 0.000 1.060 310 V CA 1.961 64.243 62.300 -0.029 0.000 1.042 310 V CB -0.944 30.866 31.823 -0.022 0.000 0.650 310 V HN 0.668 nan 8.190 nan 0.000 0.450 311 A N -0.386 122.420 122.820 -0.025 0.000 1.969 311 A HA -0.194 4.127 4.320 0.001 0.000 0.218 311 A C 1.995 179.562 177.584 -0.028 0.000 1.169 311 A CA 1.827 53.850 52.037 -0.023 0.000 0.635 311 A CB -0.595 18.393 19.000 -0.020 0.000 0.810 311 A HN 0.620 nan 8.150 nan 0.000 0.445 312 N N 0.369 119.049 118.700 -0.032 0.000 2.106 312 N HA -0.079 4.662 4.740 0.001 0.000 0.188 312 N C 1.599 177.087 175.510 -0.038 0.000 1.029 312 N CA 1.557 54.585 53.050 -0.037 0.000 0.848 312 N CB -0.449 38.011 38.487 -0.045 0.000 1.007 312 N HN 0.563 nan 8.380 nan 0.000 0.423 313 I N 1.021 121.569 120.570 -0.037 0.000 2.315 313 I HA -0.211 3.960 4.170 0.001 0.000 0.248 313 I C 2.402 178.506 176.117 -0.022 0.000 1.117 313 I CA 0.892 62.178 61.300 -0.023 0.000 1.404 313 I CB -0.196 37.796 38.000 -0.014 0.000 1.071 313 I HN 0.152 nan 8.210 nan 0.000 0.419 314 K N 1.329 121.713 120.400 -0.027 0.000 2.026 314 K HA -0.258 4.062 4.320 0.001 0.000 0.208 314 K C 2.076 178.646 176.600 -0.049 0.000 1.048 314 K CA 1.755 58.021 56.287 -0.035 0.000 0.929 314 K CB -0.060 32.422 32.500 -0.029 0.000 0.713 314 K HN 0.269 nan 8.250 nan 0.000 0.439 315 E N 0.397 120.572 120.200 -0.042 0.000 2.058 315 E HA -0.189 4.162 4.350 0.001 0.000 0.194 315 E C 2.105 178.673 176.600 -0.054 0.000 0.997 315 E CA 1.207 57.581 56.400 -0.044 0.000 0.801 315 E CB 0.012 29.691 29.700 -0.035 0.000 0.746 315 E HN 0.301 nan 8.360 nan 0.000 0.450 316 L N -0.178 121.013 121.223 -0.054 0.000 2.109 316 L HA -0.125 4.215 4.340 0.001 0.000 0.207 316 L C 2.415 179.223 176.870 -0.103 0.000 1.086 316 L CA 0.321 55.125 54.840 -0.060 0.000 0.760 316 L CB -0.118 41.917 42.059 -0.040 0.000 0.910 316 L HN 0.072 nan 8.230 nan 0.000 0.437 317 V N -0.008 119.826 119.914 -0.134 0.000 2.332 317 V HA -0.308 3.813 4.120 0.001 0.000 0.248 317 V C 2.131 178.098 176.094 -0.210 0.000 1.055 317 V CA 1.897 64.044 62.300 -0.254 0.000 1.038 317 V CB -0.456 31.222 31.823 -0.241 0.000 0.651 317 V HN 0.477 nan 8.190 nan 0.000 0.450 318 E N -0.824 119.296 120.200 -0.133 0.000 2.482 318 E HA -0.131 4.220 4.350 0.001 0.000 0.196 318 E C 2.108 178.655 176.600 -0.089 0.000 1.047 318 E CA 0.290 56.628 56.400 -0.104 0.000 0.869 318 E CB 0.031 29.686 29.700 -0.074 0.000 0.836 318 E HN 0.675 nan 8.360 nan 0.000 0.520 319 Q N -0.035 119.710 119.800 -0.091 0.000 2.376 319 Q HA 0.107 4.448 4.340 0.001 0.000 0.206 319 Q C 0.375 176.329 176.000 -0.078 0.000 0.921 319 Q CA -0.011 55.750 55.803 -0.071 0.000 0.911 319 Q CB 0.406 29.110 28.738 -0.058 0.000 1.032 319 Q HN 0.247 nan 8.270 nan 0.000 0.510 320 L N 2.675 123.831 121.223 -0.111 0.000 2.525 320 L HA -0.001 4.339 4.340 0.001 0.000 0.278 320 L C 0.544 177.361 176.870 -0.088 0.000 1.218 320 L CA 0.005 54.778 54.840 -0.112 0.000 0.878 320 L CB 0.032 41.978 42.059 -0.188 0.000 1.127 320 L HN 0.135 nan 8.230 nan 0.000 0.492 321 T N 0.571 115.089 114.554 -0.060 0.000 2.869 321 T HA 0.492 4.843 4.350 0.001 0.000 0.295 321 T C -0.177 174.498 174.700 -0.042 0.000 0.987 321 T CA -0.847 61.226 62.100 -0.045 0.000 1.109 321 T CB 1.469 70.319 68.868 -0.030 0.000 0.932 321 T HN 0.228 nan 8.240 nan 0.000 0.518 322 V N 3.202 123.093 119.914 -0.038 0.000 2.417 322 V HA 0.838 4.959 4.120 0.001 0.000 0.291 322 V C 0.825 176.909 176.094 -0.016 0.000 1.024 322 V CA 0.281 62.564 62.300 -0.029 0.000 0.861 322 V CB 0.782 32.584 31.823 -0.035 0.000 0.985 322 V HN 1.414 nan 8.190 nan 0.000 0.436 323 G N 3.176 111.972 108.800 -0.006 0.000 2.566 323 G HA2 0.246 4.207 3.960 0.001 0.000 0.138 323 G HA3 0.246 4.207 3.960 0.001 0.000 0.138 323 G C -0.618 174.287 174.900 0.007 0.000 1.133 323 G CA 0.158 45.258 45.100 -0.001 0.000 1.037 323 G HN 0.694 nan 8.290 nan 0.000 0.491 324 S N 0.976 116.680 115.700 0.007 0.000 2.586 324 S HA 0.568 5.039 4.470 0.001 0.000 0.274 324 S C -1.203 173.399 174.600 0.004 0.000 1.281 324 S CA -0.883 57.323 58.200 0.011 0.000 1.035 324 S CB 1.578 64.785 63.200 0.011 0.000 0.962 324 S HN 0.206 nan 8.310 nan 0.000 0.512 325 P HA -0.082 nan 4.420 nan 0.000 0.216 325 P C 0.713 177.982 177.300 -0.052 0.000 1.150 325 P CA 1.199 64.288 63.100 -0.018 0.000 0.837 325 P CB 0.083 31.765 31.700 -0.030 0.000 0.786 326 E N -0.691 119.475 120.200 -0.057 0.000 2.204 326 E HA -0.131 4.220 4.350 0.001 0.000 0.194 326 E C 0.896 177.476 176.600 -0.034 0.000 0.989 326 E CA 0.790 57.153 56.400 -0.063 0.000 0.824 326 E CB -0.485 29.194 29.700 -0.035 0.000 0.756 326 E HN 0.300 nan 8.360 nan 0.000 0.477 327 D N 0.601 120.989 120.400 -0.020 0.000 2.340 327 D HA -0.034 4.607 4.640 0.001 0.000 0.220 327 D C -0.153 176.137 176.300 -0.017 0.000 1.039 327 D CA 0.328 54.320 54.000 -0.014 0.000 0.866 327 D CB 0.076 40.871 40.800 -0.008 0.000 0.913 327 D HN -0.019 nan 8.370 nan 0.000 0.523 328 D N 0.074 120.462 120.400 -0.021 0.000 2.772 328 D HA -0.169 4.471 4.640 0.001 0.000 0.233 328 D C -0.043 176.251 176.300 -0.010 0.000 1.143 328 D CA 0.626 54.615 54.000 -0.018 0.000 0.700 328 D CB -1.015 39.772 40.800 -0.021 0.000 1.076 328 D HN 0.268 nan 8.370 nan 0.000 0.430 329 A N 0.172 122.989 122.820 -0.004 0.000 2.425 329 A HA 0.137 4.457 4.320 0.001 0.000 0.242 329 A C 1.388 178.977 177.584 0.007 0.000 1.077 329 A CA 0.084 52.119 52.037 -0.003 0.000 0.781 329 A CB 0.540 19.539 19.000 -0.002 0.000 1.020 329 A HN 0.090 nan 8.150 nan 0.000 0.494 330 D N 0.133 120.532 120.400 -0.001 0.000 2.097 330 D HA -0.051 4.589 4.640 0.001 0.000 0.197 330 D C 0.375 176.693 176.300 0.030 0.000 0.984 330 D CA 1.420 55.426 54.000 0.010 0.000 0.826 330 D CB 0.007 40.797 40.800 -0.015 0.000 0.973 330 D HN 0.360 nan 8.370 nan 0.000 0.460 331 I N 2.053 122.627 120.570 0.008 0.000 2.354 331 I HA 0.130 4.301 4.170 0.001 0.000 0.286 331 I C 0.616 176.744 176.117 0.019 0.000 1.007 331 I CA -0.257 61.053 61.300 0.017 0.000 1.167 331 I CB 0.852 38.841 38.000 -0.018 0.000 1.320 331 I HN -0.168 nan 8.210 nan 0.000 0.458 332 T N 4.300 118.877 114.554 0.037 0.000 2.948 332 T HA 0.660 5.011 4.350 0.001 0.000 0.285 332 T C -2.746 171.966 174.700 0.019 0.000 1.019 332 T CA -2.285 59.837 62.100 0.037 0.000 1.013 332 T CB 1.646 70.559 68.868 0.073 0.000 1.117 332 T HN 0.154 nan 8.240 nan 0.000 0.533 333 P HA 0.193 nan 4.420 nan 0.000 0.267 333 P C 0.281 177.575 177.300 -0.010 0.000 1.200 333 P CA -0.546 62.559 63.100 0.008 0.000 0.772 333 P CB 0.167 31.876 31.700 0.015 0.000 0.855 334 V N 1.553 121.456 119.914 -0.019 0.000 3.319 334 V HA 0.039 4.160 4.120 0.001 0.000 0.303 334 V C 1.563 177.621 176.094 -0.061 0.000 1.094 334 V CA -0.137 62.140 62.300 -0.039 0.000 1.106 334 V CB -0.368 31.455 31.823 0.001 0.000 1.099 334 V HN 0.375 nan 8.190 nan 0.000 0.476 335 I N 1.435 121.932 120.570 -0.123 0.000 2.264 335 I HA -0.014 4.157 4.170 0.001 0.000 0.248 335 I C 0.712 176.719 176.117 -0.185 0.000 1.111 335 I CA 1.909 63.053 61.300 -0.261 0.000 1.382 335 I CB -0.637 36.887 38.000 -0.793 0.000 1.060 335 I HN 1.202 nan 8.210 nan 0.000 0.418 336 D N -3.182 117.143 120.400 -0.125 0.000 2.665 336 D HA 0.115 4.756 4.640 0.001 0.000 0.287 336 D C 0.673 176.954 176.300 -0.032 0.000 1.266 336 D CA -0.556 53.398 54.000 -0.078 0.000 0.830 336 D CB 0.216 40.959 40.800 -0.096 0.000 1.356 336 D HN -0.171 nan 8.370 nan 0.000 0.437 337 E N 0.308 120.498 120.200 -0.017 0.000 2.049 337 E HA -0.249 4.102 4.350 0.001 0.000 0.198 337 E C 1.542 178.155 176.600 0.021 0.000 1.007 337 E CA 1.489 57.892 56.400 0.004 0.000 0.809 337 E CB -0.151 29.551 29.700 0.004 0.000 0.749 337 E HN 0.605 nan 8.360 nan 0.000 0.450 338 K N 0.743 121.151 120.400 0.013 0.000 2.152 338 K HA -0.151 4.170 4.320 0.001 0.000 0.206 338 K C 2.331 178.973 176.600 0.069 0.000 1.048 338 K CA 1.571 57.877 56.287 0.032 0.000 0.933 338 K CB -0.153 32.349 32.500 0.003 0.000 0.721 338 K HN -0.015 nan 8.250 nan 0.000 0.447 339 S N -0.387 115.342 115.700 0.048 0.000 2.371 339 S HA -0.061 4.410 4.470 0.001 0.000 0.224 339 S C 1.986 176.683 174.600 0.162 0.000 1.029 339 S CA 1.025 59.286 58.200 0.101 0.000 0.978 339 S CB -0.333 62.899 63.200 0.054 0.000 0.833 339 S HN 0.465 nan 8.310 nan 0.000 0.466 340 A N 1.583 124.460 122.820 0.095 0.000 1.908 340 A HA 0.136 4.457 4.320 0.001 0.000 0.218 340 A C 2.491 180.128 177.584 0.089 0.000 1.181 340 A CA 1.999 54.084 52.037 0.080 0.000 0.627 340 A CB -1.473 17.553 19.000 0.044 0.000 0.818 340 A HN 0.817 nan 8.150 nan 0.000 0.445 341 A N -1.422 121.455 122.820 0.094 0.000 1.933 341 A HA -0.036 4.285 4.320 0.001 0.000 0.218 341 A C 2.044 179.698 177.584 0.117 0.000 1.175 341 A CA 1.599 53.688 52.037 0.087 0.000 0.628 341 A CB -0.677 18.373 19.000 0.082 0.000 0.814 341 A HN 0.691 nan 8.150 nan 0.000 0.444 342 F N 0.636 120.605 119.950 0.032 0.000 2.113 342 F HA -0.125 4.402 4.527 0.001 0.000 0.297 342 F C 1.900 177.729 175.800 0.048 0.000 1.103 342 F CA 1.779 59.804 58.000 0.043 0.000 1.248 342 F CB -0.242 38.789 39.000 0.051 0.000 0.999 342 F HN 0.170 nan 8.300 nan 0.000 0.475 343 I N 0.051 120.668 120.570 0.077 0.000 2.286 343 I HA -0.281 3.889 4.170 0.001 0.000 0.248 343 I C 2.398 178.472 176.117 -0.071 0.000 1.115 343 I CA 1.313 62.605 61.300 -0.015 0.000 1.392 343 I CB -0.629 37.424 38.000 0.088 0.000 1.065 343 I HN 0.206 nan 8.210 nan 0.000 0.418 344 Q N 1.374 121.157 119.800 -0.028 0.000 2.061 344 Q HA -0.153 4.188 4.340 0.001 0.000 0.204 344 Q C 2.220 178.181 176.000 -0.064 0.000 0.984 344 Q CA 2.264 58.050 55.803 -0.029 0.000 0.846 344 Q CB -0.913 27.825 28.738 -0.001 0.000 0.902 344 Q HN 0.473 nan 8.270 nan 0.000 0.421 345 G N 0.079 108.820 108.800 -0.098 0.000 2.432 345 G HA2 -0.197 3.764 3.960 0.001 0.000 0.219 345 G HA3 -0.197 3.764 3.960 0.001 0.000 0.219 345 G C 1.354 176.163 174.900 -0.153 0.000 1.135 345 G CA 0.854 45.886 45.100 -0.113 0.000 0.767 345 G HN 0.377 nan 8.290 nan 0.000 0.550 346 L N -0.089 120.990 121.223 -0.240 0.000 2.056 346 L HA 0.019 4.360 4.340 0.001 0.000 0.207 346 L C 2.840 179.649 176.870 -0.103 0.000 1.078 346 L CA 0.657 55.377 54.840 -0.201 0.000 0.749 346 L CB -0.341 41.560 42.059 -0.262 0.000 0.901 346 L HN 0.184 nan 8.230 nan 0.000 0.433 347 I N 0.237 120.757 120.570 -0.082 0.000 2.163 347 I HA -0.344 3.827 4.170 0.001 0.000 0.243 347 I C 2.261 178.357 176.117 -0.036 0.000 1.085 347 I CA 1.791 63.064 61.300 -0.045 0.000 1.347 347 I CB -0.335 37.648 38.000 -0.029 0.000 1.044 347 I HN 0.367 nan 8.210 nan 0.000 0.408 348 D N 1.012 121.390 120.400 -0.038 0.000 2.087 348 D HA -0.317 4.324 4.640 0.001 0.000 0.192 348 D C 2.016 178.304 176.300 -0.020 0.000 0.993 348 D CA 1.969 55.954 54.000 -0.025 0.000 0.828 348 D CB -0.248 40.537 40.800 -0.025 0.000 0.968 348 D HN 0.316 nan 8.370 nan 0.000 0.448 349 D N -0.260 120.124 120.400 -0.026 0.000 2.133 349 D HA -0.266 4.375 4.640 0.001 0.000 0.195 349 D C 1.983 178.280 176.300 -0.006 0.000 0.997 349 D CA 1.745 55.738 54.000 -0.013 0.000 0.840 349 D CB -0.243 40.548 40.800 -0.016 0.000 0.947 349 D HN 0.342 nan 8.370 nan 0.000 0.452 350 A N 1.033 123.844 122.820 -0.015 0.000 1.851 350 A HA -0.142 4.179 4.320 0.001 0.000 0.216 350 A C 2.675 180.255 177.584 -0.007 0.000 1.195 350 A CA 1.436 53.466 52.037 -0.012 0.000 0.622 350 A CB -0.952 18.034 19.000 -0.025 0.000 0.831 350 A HN 0.363 nan 8.150 nan 0.000 0.444 351 L N -0.891 120.327 121.223 -0.010 0.000 2.083 351 L HA -0.192 4.149 4.340 0.001 0.000 0.209 351 L C 2.635 179.504 176.870 -0.002 0.000 1.083 351 L CA 1.516 56.352 54.840 -0.006 0.000 0.752 351 L CB -0.703 41.351 42.059 -0.008 0.000 0.899 351 L HN 0.476 nan 8.230 nan 0.000 0.433 352 E N 0.411 120.610 120.200 -0.001 0.000 2.058 352 E HA -0.212 4.139 4.350 0.001 0.000 0.194 352 E C 1.503 178.107 176.600 0.007 0.000 0.997 352 E CA 1.199 57.601 56.400 0.003 0.000 0.801 352 E CB -0.117 29.585 29.700 0.004 0.000 0.746 352 E HN 0.509 nan 8.360 nan 0.000 0.450 353 N N -0.503 118.203 118.700 0.010 0.000 2.515 353 N HA -0.029 4.711 4.740 0.001 0.000 0.191 353 N C 0.666 176.184 175.510 0.014 0.000 1.182 353 N CA 0.917 53.976 53.050 0.016 0.000 0.879 353 N CB 1.137 39.638 38.487 0.024 0.000 0.984 353 N HN 0.281 nan 8.380 nan 0.000 0.453 354 G N 0.004 108.809 108.800 0.008 0.000 2.135 354 G HA2 -0.182 3.778 3.960 0.001 0.000 0.183 354 G HA3 -0.182 3.778 3.960 0.001 0.000 0.183 354 G C 0.134 175.036 174.900 0.003 0.000 1.004 354 G CA -0.052 45.052 45.100 0.007 0.000 0.677 354 G HN 0.518 nan 8.290 nan 0.000 0.512 355 A N 0.283 123.103 122.820 -0.001 0.000 2.407 355 A HA 0.680 5.001 4.320 0.001 0.000 0.248 355 A C 0.854 178.434 177.584 -0.006 0.000 1.082 355 A CA 0.981 53.014 52.037 -0.006 0.000 0.785 355 A CB 0.316 19.309 19.000 -0.012 0.000 1.020 355 A HN 0.915 nan 8.150 nan 0.000 0.489 356 T N 2.612 117.162 114.554 -0.007 0.000 2.761 356 T HA 0.359 4.710 4.350 0.001 0.000 0.296 356 T C -0.098 174.596 174.700 -0.009 0.000 0.934 356 T CA -0.042 62.053 62.100 -0.007 0.000 1.091 356 T CB 0.368 69.232 68.868 -0.007 0.000 0.896 356 T HN 0.509 nan 8.240 nan 0.000 0.515 357 L N 5.162 126.380 121.223 -0.008 0.000 2.261 357 L HA 0.354 4.695 4.340 0.001 0.000 0.289 357 L C 0.592 177.456 176.870 -0.009 0.000 1.059 357 L CA 0.029 54.864 54.840 -0.008 0.000 0.816 357 L CB 0.055 42.109 42.059 -0.008 0.000 1.191 357 L HN 0.705 nan 8.230 nan 0.000 0.431 358 L N 2.653 123.871 121.223 -0.009 0.000 2.354 358 L HA 0.283 4.623 4.340 0.001 0.000 0.212 358 L C 0.613 177.472 176.870 -0.018 0.000 1.091 358 L CA 0.338 55.170 54.840 -0.013 0.000 0.828 358 L CB 0.069 42.121 42.059 -0.013 0.000 0.973 358 L HN 0.699 nan 8.230 nan 0.000 0.461 359 S N -1.411 114.279 115.700 -0.017 0.000 2.548 359 S HA 0.581 5.052 4.470 0.001 0.000 0.278 359 S C -0.180 174.406 174.600 -0.023 0.000 1.150 359 S CA 0.070 58.252 58.200 -0.029 0.000 0.907 359 S CB 1.437 64.608 63.200 -0.048 0.000 1.108 359 S HN 0.508 nan 8.310 nan 0.000 0.459 360 G N 4.164 112.947 108.800 -0.028 0.000 2.662 360 G HA2 -0.143 3.818 3.960 0.001 0.000 0.236 360 G HA3 -0.143 3.818 3.960 0.001 0.000 0.236 360 G C 0.051 174.944 174.900 -0.012 0.000 1.212 360 G CA 0.724 45.810 45.100 -0.023 0.000 0.968 360 G HN 1.906 nan 8.290 nan 0.000 0.576 361 N N -0.572 118.126 118.700 -0.004 0.000 2.716 361 N HA -0.161 4.580 4.740 0.001 0.000 0.250 361 N C -0.193 175.314 175.510 -0.005 0.000 1.033 361 N CA 2.080 55.129 53.050 -0.002 0.000 0.727 361 N CB -0.628 37.856 38.487 -0.004 0.000 0.950 361 N HN 0.792 nan 8.380 nan 0.000 0.541 362 K N 0.370 120.766 120.400 -0.006 0.000 2.259 362 K HA 0.666 4.987 4.320 0.001 0.000 0.249 362 K C -0.032 176.566 176.600 -0.004 0.000 0.942 362 K CA -0.616 55.667 56.287 -0.007 0.000 0.816 362 K CB 1.376 33.867 32.500 -0.014 0.000 1.155 362 K HN 0.416 nan 8.250 nan 0.000 0.428 363 R N 0.340 120.839 120.500 -0.002 0.000 2.692 363 R HA 0.426 4.767 4.340 0.001 0.000 0.269 363 R C -1.475 174.826 176.300 0.001 0.000 1.030 363 R CA -1.061 55.040 56.100 0.001 0.000 0.882 363 R CB 1.229 31.533 30.300 0.006 0.000 1.250 363 R HN 0.365 nan 8.270 nan 0.000 0.465 364 Q N 1.570 121.371 119.800 0.002 0.000 2.397 364 Q HA 0.355 4.696 4.340 0.001 0.000 0.260 364 Q C 0.368 176.372 176.000 0.005 0.000 1.002 364 Q CA -0.221 55.584 55.803 0.003 0.000 0.716 364 Q CB 1.722 30.460 28.738 0.002 0.000 1.258 364 Q HN 1.032 nan 8.270 nan 0.000 0.477 365 G N 4.498 113.301 108.800 0.006 0.000 2.596 365 G HA2 -0.452 3.509 3.960 0.001 0.000 0.304 365 G HA3 -0.452 3.509 3.960 0.001 0.000 0.304 365 G C 0.580 175.486 174.900 0.010 0.000 1.189 365 G CA 0.629 45.734 45.100 0.008 0.000 0.986 365 G HN 0.649 nan 8.290 nan 0.000 0.548 366 N N 0.130 118.836 118.700 0.008 0.000 2.457 366 N HA 0.099 4.839 4.740 0.001 0.000 0.180 366 N C 0.873 176.389 175.510 0.009 0.000 1.050 366 N CA 0.171 53.226 53.050 0.008 0.000 0.906 366 N CB 0.128 38.616 38.487 0.002 0.000 0.968 366 N HN 0.342 nan 8.380 nan 0.000 0.445 367 L N 2.607 123.835 121.223 0.008 0.000 2.454 367 L HA 0.186 4.526 4.340 0.001 0.000 0.284 367 L C -1.017 175.857 176.870 0.007 0.000 1.139 367 L CA 0.027 54.871 54.840 0.007 0.000 0.911 367 L CB -0.158 41.905 42.059 0.006 0.000 1.262 367 L HN -0.064 nan 8.230 nan 0.000 0.453 368 L N 3.627 124.856 121.223 0.011 0.000 2.312 368 L HA 0.436 4.777 4.340 0.001 0.000 0.281 368 L C 0.793 177.668 176.870 0.007 0.000 1.070 368 L CA 0.339 55.187 54.840 0.013 0.000 0.805 368 L CB 1.331 43.406 42.059 0.027 0.000 1.174 368 L HN 0.530 nan 8.230 nan 0.000 0.434 369 S N 4.221 119.919 115.700 -0.003 0.000 2.593 369 S HA 0.324 4.794 4.470 0.001 0.000 0.269 369 S C -2.296 172.292 174.600 -0.019 0.000 1.334 369 S CA -0.766 57.419 58.200 -0.024 0.000 1.015 369 S CB 0.421 63.602 63.200 -0.032 0.000 0.912 369 S HN 0.435 nan 8.310 nan 0.000 0.541 370 P HA 0.129 nan 4.420 nan 0.000 0.271 370 P C -0.899 176.376 177.300 -0.040 0.000 1.226 370 P CA -0.059 62.969 63.100 -0.120 0.000 0.765 370 P CB 0.062 31.454 31.700 -0.514 0.000 0.835 371 T N 4.516 119.139 114.554 0.116 0.000 2.771 371 T HA 0.434 4.785 4.350 0.001 0.000 0.281 371 T C -0.262 174.527 174.700 0.148 0.000 0.982 371 T CA -0.381 61.772 62.100 0.089 0.000 0.978 371 T CB 0.821 69.728 68.868 0.065 0.000 0.930 371 T HN 0.202 nan 8.240 nan 0.000 0.447 372 L N 4.815 126.086 121.223 0.079 0.000 2.325 372 L HA 0.623 4.964 4.340 0.001 0.000 0.281 372 L C -1.457 175.427 176.870 0.023 0.000 1.004 372 L CA -0.590 54.296 54.840 0.077 0.000 0.823 372 L CB 0.816 42.910 42.059 0.058 0.000 1.236 372 L HN 0.594 nan 8.230 nan 0.000 0.415 373 L N 4.402 125.628 121.223 0.005 0.000 2.322 373 L HA 0.580 4.921 4.340 0.001 0.000 0.281 373 L C -0.682 176.171 176.870 -0.028 0.000 1.014 373 L CA -0.593 54.238 54.840 -0.016 0.000 0.815 373 L CB 1.755 43.798 42.059 -0.027 0.000 1.247 373 L HN 0.538 nan 8.230 nan 0.000 0.421 374 D N 1.345 121.731 120.400 -0.023 0.000 2.340 374 D HA 0.220 4.861 4.640 0.001 0.000 0.243 374 D C -0.150 176.138 176.300 -0.020 0.000 0.988 374 D CA -0.057 53.928 54.000 -0.025 0.000 0.959 374 D CB 1.415 42.205 40.800 -0.018 0.000 1.226 374 D HN 0.551 nan 8.370 nan 0.000 0.509 375 D N 0.171 120.562 120.400 -0.016 0.000 2.837 375 D HA -0.133 4.507 4.640 0.001 0.000 0.230 375 D C -0.240 176.055 176.300 -0.008 0.000 1.152 375 D CA 0.363 54.359 54.000 -0.006 0.000 0.736 375 D CB -1.393 39.407 40.800 -0.001 0.000 1.084 375 D HN 0.087 nan 8.370 nan 0.000 0.429 376 V N 0.605 120.504 119.914 -0.025 0.000 2.740 376 V HA 0.336 4.456 4.120 0.001 0.000 0.303 376 V C 1.339 177.423 176.094 -0.017 0.000 1.054 376 V CA 0.865 63.143 62.300 -0.035 0.000 1.106 376 V CB 1.582 33.358 31.823 -0.078 0.000 0.957 376 V HN 0.404 nan 8.190 nan 0.000 0.486 377 T N 1.989 116.543 114.554 0.000 0.000 2.888 377 T HA 0.500 4.851 4.350 0.001 0.000 0.288 377 T C -2.275 172.458 174.700 0.056 0.000 1.063 377 T CA -1.954 60.169 62.100 0.038 0.000 1.010 377 T CB 2.037 70.940 68.868 0.058 0.000 1.214 377 T HN 0.341 nan 8.240 nan 0.000 0.533 378 P HA 0.111 nan 4.420 nan 0.000 0.220 378 P C 1.443 178.985 177.300 0.403 0.000 1.148 378 P CA 0.973 64.281 63.100 0.346 0.000 0.803 378 P CB -0.296 31.661 31.700 0.429 0.000 0.782 379 A N -1.448 121.504 122.820 0.221 0.000 2.178 379 A HA -0.057 4.263 4.320 0.001 0.000 0.218 379 A C 1.191 178.872 177.584 0.161 0.000 1.157 379 A CA 0.903 53.042 52.037 0.171 0.000 0.689 379 A CB -1.048 18.015 19.000 0.105 0.000 0.787 379 A HN 0.185 nan 8.150 nan 0.000 0.465 380 M N -1.026 118.665 119.600 0.152 0.000 2.264 380 M HA 0.302 4.783 4.480 0.001 0.000 0.352 380 M C 1.093 177.485 176.300 0.153 0.000 1.173 380 M CA -0.408 54.952 55.300 0.100 0.000 1.075 380 M CB 1.375 33.993 32.600 0.030 0.000 1.621 380 M HN 0.169 nan 8.290 nan 0.000 0.457 381 R N 0.979 121.556 120.500 0.130 0.000 2.091 381 R HA -0.117 4.224 4.340 0.001 0.000 0.238 381 R C 1.828 178.198 176.300 0.116 0.000 1.136 381 R CA 1.208 57.407 56.100 0.165 0.000 0.959 381 R CB -0.270 30.077 30.300 0.079 0.000 0.856 381 R HN 0.618 nan 8.270 nan 0.000 0.437 382 V N 0.880 120.801 119.914 0.013 0.000 3.140 382 V HA -0.162 3.959 4.120 0.001 0.000 0.269 382 V C 1.788 177.819 176.094 -0.105 0.000 1.149 382 V CA 1.709 63.986 62.300 -0.039 0.000 1.162 382 V CB -0.238 31.547 31.823 -0.064 0.000 0.756 382 V HN 0.404 nan 8.190 nan 0.000 0.523 383 A N -1.742 120.961 122.820 -0.196 0.000 2.123 383 A HA -0.004 4.317 4.320 0.001 0.000 0.214 383 A C 1.635 178.794 177.584 -0.709 0.000 1.152 383 A CA 1.191 52.903 52.037 -0.541 0.000 0.728 383 A CB -0.361 18.193 19.000 -0.744 0.000 0.814 383 A HN 0.786 nan 8.150 nan 0.000 0.464 384 W N -0.588 120.782 121.300 0.117 0.000 3.638 384 W HA 0.276 4.936 4.660 -0.000 0.000 0.226 384 W C 0.267 176.925 176.519 0.233 0.000 1.065 384 W CA -0.363 57.088 57.345 0.178 0.000 1.751 384 W CB 0.139 29.694 29.460 0.158 0.000 0.873 384 W HN 0.011 nan 8.180 nan 0.000 0.786 385 E N 2.514 122.958 120.200 0.407 0.000 2.344 385 E HA 0.025 4.376 4.350 0.001 0.000 0.270 385 E C -0.141 176.641 176.600 0.304 0.000 1.021 385 E CA -0.052 56.583 56.400 0.392 0.000 0.887 385 E CB 0.810 30.729 29.700 0.365 0.000 0.997 385 E HN 0.028 nan 8.360 nan 0.000 0.429 386 E N 5.063 125.441 120.200 0.296 0.000 2.220 386 E HA 0.021 4.372 4.350 0.001 0.000 0.272 386 E C -1.840 174.990 176.600 0.384 0.000 1.099 386 E CA -1.684 54.832 56.400 0.194 0.000 0.907 386 E CB 0.686 30.407 29.700 0.036 0.000 1.022 386 E HN 0.241 nan 8.360 nan 0.000 0.428 387 P HA 0.020 nan 4.420 nan 0.000 0.221 387 P C -0.092 177.481 177.300 0.455 0.000 1.155 387 P CA 0.145 63.491 63.100 0.410 0.000 0.812 387 P CB 0.092 31.885 31.700 0.156 0.000 0.801 388 F N -0.943 119.074 119.950 0.113 0.000 3.091 388 F HA -0.159 4.368 4.527 0.001 0.000 0.288 388 F C 0.688 176.524 175.800 0.059 0.000 0.907 388 F CA 0.953 58.997 58.000 0.073 0.000 1.028 388 F CB -1.380 37.676 39.000 0.094 0.000 1.022 388 F HN 0.063 nan 8.300 nan 0.000 0.665 389 G N -0.897 107.942 108.800 0.066 0.000 2.682 389 G HA2 0.641 4.602 3.960 0.001 0.000 0.290 389 G HA3 0.641 4.602 3.960 0.001 0.000 0.290 389 G C -3.150 171.751 174.900 0.001 0.000 1.425 389 G CA -0.874 44.252 45.100 0.043 0.000 0.807 389 G HN -0.200 nan 8.290 nan 0.000 0.482 390 P HA 0.338 nan 4.420 nan 0.000 0.219 390 P C -0.658 176.797 177.300 0.259 0.000 1.832 390 P CA -0.216 62.998 63.100 0.189 0.000 1.014 390 P CB 0.765 32.614 31.700 0.249 0.000 1.939 391 V N 3.567 123.508 119.914 0.046 0.000 2.638 391 V HA 0.554 4.675 4.120 0.001 0.000 0.306 391 V C -1.409 174.614 176.094 -0.119 0.000 1.052 391 V CA -1.154 61.169 62.300 0.037 0.000 0.885 391 V CB 2.461 34.292 31.823 0.012 0.000 0.999 391 V HN 0.063 nan 8.190 nan 0.000 0.424 392 L N 9.950 131.138 121.223 -0.059 0.000 2.372 392 L HA 0.815 5.156 4.340 0.001 0.000 0.274 392 L C -2.662 174.155 176.870 -0.088 0.000 0.988 392 L CA -1.506 53.246 54.840 -0.148 0.000 0.833 392 L CB 2.523 44.464 42.059 -0.196 0.000 1.236 392 L HN 0.488 nan 8.230 nan 0.000 0.410 393 P HA 0.394 nan 4.420 nan 0.000 0.292 393 P C -1.257 175.936 177.300 -0.179 0.000 1.283 393 P CA -0.429 62.587 63.100 -0.140 0.000 0.835 393 P CB 1.733 33.333 31.700 -0.167 0.000 1.017 394 I N 4.355 124.844 120.570 -0.135 0.000 2.362 394 I HA 0.405 4.576 4.170 0.001 0.000 0.289 394 I C 0.488 176.535 176.117 -0.117 0.000 0.994 394 I CA -0.844 60.374 61.300 -0.137 0.000 1.158 394 I CB 0.922 38.875 38.000 -0.078 0.000 1.315 394 I HN 0.254 nan 8.210 nan 0.000 0.451 395 I N 6.132 126.618 120.570 -0.140 0.000 2.354 395 I HA 0.357 4.528 4.170 0.001 0.000 0.286 395 I C 0.480 176.654 176.117 0.095 0.000 1.007 395 I CA -0.721 60.574 61.300 -0.010 0.000 1.167 395 I CB 0.919 38.952 38.000 0.056 0.000 1.320 395 I HN 0.414 nan 8.210 nan 0.000 0.458 396 R N 4.563 125.103 120.500 0.067 0.000 2.590 396 R HA 0.508 4.849 4.340 0.001 0.000 0.274 396 R C -0.690 175.668 176.300 0.097 0.000 1.061 396 R CA -0.316 55.826 56.100 0.071 0.000 1.081 396 R CB 1.166 31.490 30.300 0.040 0.000 0.984 396 R HN 0.343 nan 8.270 nan 0.000 0.448 397 V N 2.124 122.090 119.914 0.087 0.000 2.971 397 V HA 0.092 4.212 4.120 0.001 0.000 0.309 397 V C 0.676 176.794 176.094 0.041 0.000 1.130 397 V CA -0.723 61.618 62.300 0.070 0.000 0.964 397 V CB 2.242 34.122 31.823 0.095 0.000 1.029 397 V HN 0.792 nan 8.190 nan 0.000 0.427 398 K N 1.557 121.970 120.400 0.021 0.000 2.076 398 K HA 0.022 4.343 4.320 0.001 0.000 0.204 398 K C 0.114 176.720 176.600 0.010 0.000 1.051 398 K CA 1.943 58.238 56.287 0.014 0.000 0.949 398 K CB 0.288 32.792 32.500 0.006 0.000 0.726 398 K HN 0.947 nan 8.250 nan 0.000 0.443 399 D N -3.598 116.804 120.400 0.003 0.000 2.779 399 D HA 0.174 4.815 4.640 0.001 0.000 0.331 399 D C 0.342 176.635 176.300 -0.011 0.000 1.331 399 D CA -0.036 53.964 54.000 -0.001 0.000 0.866 399 D CB 0.300 41.095 40.800 -0.009 0.000 1.409 399 D HN -0.115 nan 8.370 nan 0.000 0.486 400 A N 0.012 122.825 122.820 -0.013 0.000 1.908 400 A HA -0.211 4.110 4.320 0.001 0.000 0.218 400 A C 1.591 179.140 177.584 -0.059 0.000 1.181 400 A CA 1.728 53.752 52.037 -0.022 0.000 0.627 400 A CB -1.098 17.891 19.000 -0.019 0.000 0.818 400 A HN 0.602 nan 8.150 nan 0.000 0.445 401 N N -0.894 117.765 118.700 -0.068 0.000 2.309 401 N HA -0.159 4.581 4.740 0.001 0.000 0.182 401 N C 1.804 177.260 175.510 -0.091 0.000 1.018 401 N CA 1.290 54.287 53.050 -0.088 0.000 0.876 401 N CB -0.083 38.357 38.487 -0.079 0.000 0.972 401 N HN 0.731 nan 8.380 nan 0.000 0.434 402 E N 1.068 121.216 120.200 -0.086 0.000 2.112 402 E HA -0.031 4.320 4.350 0.001 0.000 0.190 402 E C 1.993 178.461 176.600 -0.221 0.000 0.979 402 E CA 0.483 56.817 56.400 -0.109 0.000 0.814 402 E CB 0.078 29.737 29.700 -0.069 0.000 0.762 402 E HN 0.266 nan 8.360 nan 0.000 0.460 403 A N 1.129 123.814 122.820 -0.226 0.000 1.908 403 A HA -0.188 4.133 4.320 0.001 0.000 0.218 403 A C 2.106 179.471 177.584 -0.365 0.000 1.181 403 A CA 1.263 53.063 52.037 -0.395 0.000 0.627 403 A CB -0.618 18.313 19.000 -0.115 0.000 0.818 403 A HN 0.285 nan 8.150 nan 0.000 0.445 404 I N -0.977 119.491 120.570 -0.171 0.000 2.142 404 I HA -0.231 3.940 4.170 0.001 0.000 0.240 404 I C 2.856 178.918 176.117 -0.091 0.000 1.078 404 I CA 1.518 62.761 61.300 -0.095 0.000 1.343 404 I CB -0.390 37.570 38.000 -0.067 0.000 1.046 404 I HN 0.410 nan 8.210 nan 0.000 0.405 405 S N 1.026 116.667 115.700 -0.100 0.000 2.359 405 S HA -0.202 4.269 4.470 0.001 0.000 0.223 405 S C 2.069 176.651 174.600 -0.029 0.000 1.039 405 S CA 1.680 59.848 58.200 -0.053 0.000 1.042 405 S CB -0.403 62.769 63.200 -0.048 0.000 0.915 405 S HN 0.308 nan 8.310 nan 0.000 0.439 406 L N 0.697 121.842 121.223 -0.131 0.000 2.056 406 L HA -0.051 4.289 4.340 0.001 0.000 0.207 406 L C 2.805 179.709 176.870 0.056 0.000 1.078 406 L CA 1.193 56.008 54.840 -0.041 0.000 0.749 406 L CB -0.637 41.218 42.059 -0.341 0.000 0.901 406 L HN 0.286 nan 8.230 nan 0.000 0.433 407 S N 0.124 115.738 115.700 -0.144 0.000 2.365 407 S HA -0.179 4.292 4.470 0.001 0.000 0.225 407 S C 1.702 176.415 174.600 0.188 0.000 1.039 407 S CA 1.542 59.818 58.200 0.126 0.000 1.033 407 S CB -0.311 62.941 63.200 0.087 0.000 0.887 407 S HN 0.451 nan 8.310 nan 0.000 0.447 408 N N 1.047 119.816 118.700 0.116 0.000 2.457 408 N HA 0.013 4.754 4.740 0.001 0.000 0.180 408 N C 1.459 177.042 175.510 0.122 0.000 1.050 408 N CA 0.433 53.550 53.050 0.111 0.000 0.906 408 N CB -0.188 38.339 38.487 0.067 0.000 0.968 408 N HN 0.541 nan 8.380 nan 0.000 0.445 409 Q N -0.098 119.806 119.800 0.173 0.000 2.472 409 Q HA 0.070 4.411 4.340 0.001 0.000 0.208 409 Q C 0.337 176.402 176.000 0.108 0.000 0.958 409 Q CA 0.065 55.930 55.803 0.103 0.000 0.932 409 Q CB 0.191 28.982 28.738 0.087 0.000 1.007 409 Q HN 0.064 nan 8.270 nan 0.000 0.508 410 S N 0.814 116.728 115.700 0.358 0.000 2.562 410 S HA -0.038 4.432 4.470 0.001 0.000 0.281 410 S C 0.387 175.062 174.600 0.125 0.000 1.333 410 S CA -0.625 57.810 58.200 0.392 0.000 1.052 410 S CB 0.612 64.118 63.200 0.511 0.000 0.884 410 S HN 0.143 nan 8.310 nan 0.000 0.506 411 D N 2.436 122.816 120.400 -0.034 0.000 2.351 411 D HA 0.005 4.646 4.640 0.001 0.000 0.216 411 D C -0.093 176.060 176.300 -0.245 0.000 0.968 411 D CA 1.149 55.018 54.000 -0.218 0.000 0.899 411 D CB -0.152 40.413 40.800 -0.391 0.000 0.907 411 D HN 0.556 nan 8.370 nan 0.000 0.514 412 Y N -0.514 119.865 120.300 0.132 0.000 2.354 412 Y HA 0.532 5.083 4.550 0.001 0.000 0.322 412 Y C 1.491 177.450 175.900 0.099 0.000 1.253 412 Y CA -0.673 57.498 58.100 0.118 0.000 1.272 412 Y CB 1.753 40.298 38.460 0.142 0.000 1.255 412 Y HN -0.169 nan 8.280 nan 0.000 0.500 413 G N 1.284 110.238 108.800 0.257 0.000 5.072 413 G HA2 0.235 4.196 3.960 0.001 0.000 0.208 413 G HA3 0.235 4.196 3.960 0.001 0.000 0.208 413 G C -0.401 174.551 174.900 0.087 0.000 0.804 413 G CA -0.158 45.025 45.100 0.139 0.000 0.619 413 G HN 0.549 nan 8.290 nan 0.000 0.427 414 L N -0.371 120.910 121.223 0.096 0.000 2.208 414 L HA 0.592 4.932 4.340 0.001 0.000 0.196 414 L C 0.922 177.798 176.870 0.010 0.000 1.130 414 L CA 1.508 56.360 54.840 0.020 0.000 0.791 414 L CB -0.086 42.001 42.059 0.046 0.000 0.969 414 L HN 0.289 nan 8.230 nan 0.000 0.468 415 Q N -1.306 118.535 119.800 0.069 0.000 2.501 415 Q HA 0.721 5.062 4.340 0.001 0.000 0.288 415 Q C -1.634 174.435 176.000 0.114 0.000 1.051 415 Q CA -0.661 55.203 55.803 0.102 0.000 0.788 415 Q CB 2.386 31.231 28.738 0.180 0.000 1.469 415 Q HN 0.338 nan 8.270 nan 0.000 0.416 416 A N 0.643 123.538 122.820 0.124 0.000 2.549 416 A HA 0.762 5.082 4.320 0.001 0.000 0.297 416 A C -1.241 176.406 177.584 0.105 0.000 1.061 416 A CA -0.501 51.603 52.037 0.112 0.000 0.690 416 A CB 2.127 21.184 19.000 0.096 0.000 1.287 416 A HN 0.454 nan 8.150 nan 0.000 0.402 417 S N 0.476 116.222 115.700 0.076 0.000 2.501 417 S HA 0.761 5.232 4.470 0.001 0.000 0.301 417 S C -0.697 173.851 174.600 -0.087 0.000 1.096 417 S CA -0.348 57.824 58.200 -0.047 0.000 1.063 417 S CB 0.779 63.963 63.200 -0.027 0.000 1.042 417 S HN 0.500 nan 8.310 nan 0.000 0.494 418 I N 3.026 123.440 120.570 -0.261 0.000 2.468 418 I HA 0.373 4.544 4.170 0.001 0.000 0.285 418 I C -1.529 174.412 176.117 -0.294 0.000 1.039 418 I CA -0.413 60.801 61.300 -0.144 0.000 1.074 418 I CB 1.269 39.240 38.000 -0.048 0.000 1.228 418 I HN 0.464 nan 8.210 nan 0.000 0.436 419 F N 4.075 124.057 119.950 0.054 0.000 2.385 419 F HA 0.636 5.163 4.527 0.001 0.000 0.360 419 F C 0.516 176.339 175.800 0.038 0.000 1.122 419 F CA -0.398 57.628 58.000 0.044 0.000 1.090 419 F CB 1.856 40.879 39.000 0.037 0.000 1.150 419 F HN 0.334 nan 8.300 nan 0.000 0.472 420 T N 2.449 117.104 114.554 0.169 0.000 3.003 420 T HA 0.161 4.512 4.350 0.001 0.000 0.354 420 T C 0.381 175.129 174.700 0.080 0.000 1.651 420 T CA -0.808 61.358 62.100 0.109 0.000 1.103 420 T CB 1.178 70.090 68.868 0.073 0.000 1.450 420 T HN 0.528 nan 8.240 nan 0.000 0.484 421 K N 1.158 121.598 120.400 0.066 0.000 2.217 421 K HA 0.006 4.327 4.320 0.001 0.000 0.202 421 K C 0.440 177.062 176.600 0.037 0.000 1.051 421 K CA 0.544 56.861 56.287 0.051 0.000 0.952 421 K CB -0.021 32.505 32.500 0.043 0.000 0.736 421 K HN 0.549 nan 8.250 nan 0.000 0.453 422 D N 1.412 121.832 120.400 0.034 0.000 2.468 422 D HA 0.048 4.688 4.640 0.001 0.000 0.218 422 D C 0.375 176.686 176.300 0.019 0.000 1.155 422 D CA 0.120 54.134 54.000 0.025 0.000 0.924 422 D CB 0.880 41.694 40.800 0.024 0.000 1.029 422 D HN -0.094 nan 8.370 nan 0.000 0.515 423 T N 2.277 116.839 114.554 0.014 0.000 2.788 423 T HA -0.141 4.210 4.350 0.001 0.000 0.268 423 T C 1.014 175.715 174.700 0.002 0.000 1.044 423 T CA 0.982 63.086 62.100 0.005 0.000 1.139 423 T CB 0.056 68.926 68.868 0.003 0.000 0.867 423 T HN 0.389 nan 8.240 nan 0.000 0.454 424 D N 0.763 121.166 120.400 0.006 0.000 2.123 424 D HA -0.066 4.574 4.640 0.001 0.000 0.196 424 D C 2.265 178.572 176.300 0.011 0.000 0.992 424 D CA 0.979 54.983 54.000 0.006 0.000 0.833 424 D CB -0.252 40.552 40.800 0.007 0.000 0.954 424 D HN 0.272 nan 8.370 nan 0.000 0.455 425 R N 0.251 120.760 120.500 0.015 0.000 2.075 425 R HA -0.038 4.303 4.340 0.001 0.000 0.232 425 R C 2.173 178.487 176.300 0.023 0.000 1.126 425 R CA 1.210 57.323 56.100 0.021 0.000 0.963 425 R CB -0.132 30.180 30.300 0.021 0.000 0.858 425 R HN 0.121 nan 8.270 nan 0.000 0.435 426 A N 1.148 123.977 122.820 0.015 0.000 1.883 426 A HA -0.186 4.135 4.320 0.001 0.000 0.217 426 A C 2.106 179.691 177.584 0.002 0.000 1.186 426 A CA 1.478 53.519 52.037 0.007 0.000 0.624 426 A CB -0.596 18.398 19.000 -0.009 0.000 0.822 426 A HN 0.303 nan 8.150 nan 0.000 0.444 427 I N -0.280 120.287 120.570 -0.005 0.000 2.118 427 I HA -0.352 3.819 4.170 0.001 0.000 0.241 427 I C 2.483 178.602 176.117 0.004 0.000 1.070 427 I CA 2.049 63.341 61.300 -0.014 0.000 1.327 427 I CB -0.607 37.380 38.000 -0.020 0.000 1.034 427 I HN 0.564 nan 8.210 nan 0.000 0.405 428 N N 1.346 120.062 118.700 0.027 0.000 2.036 428 N HA -0.214 4.527 4.740 0.001 0.000 0.195 428 N C 1.859 177.462 175.510 0.155 0.000 1.037 428 N CA 1.685 54.776 53.050 0.069 0.000 0.855 428 N CB -0.194 38.340 38.487 0.078 0.000 1.033 428 N HN 0.248 nan 8.380 nan 0.000 0.423 429 I N -0.088 120.558 120.570 0.127 0.000 2.208 429 I HA -0.202 3.968 4.170 0.001 0.000 0.245 429 I C 2.401 178.594 176.117 0.128 0.000 1.097 429 I CA 1.335 62.720 61.300 0.141 0.000 1.363 429 I CB -0.792 37.244 38.000 0.061 0.000 1.051 429 I HN 0.358 nan 8.210 nan 0.000 0.413 430 G N 0.708 109.542 108.800 0.057 0.000 2.418 430 G HA2 -0.324 3.636 3.960 0.001 0.000 0.217 430 G HA3 -0.324 3.636 3.960 0.001 0.000 0.217 430 G C 1.643 176.545 174.900 0.004 0.000 1.158 430 G CA 0.921 46.032 45.100 0.019 0.000 0.771 430 G HN 0.218 nan 8.290 nan 0.000 0.545 431 K N 0.250 120.634 120.400 -0.027 0.000 2.211 431 K HA -0.122 4.198 4.320 0.001 0.000 0.204 431 K C 1.925 178.428 176.600 -0.162 0.000 1.047 431 K CA 1.217 57.434 56.287 -0.116 0.000 0.935 431 K CB -0.379 32.013 32.500 -0.181 0.000 0.728 431 K HN 0.527 nan 8.250 nan 0.000 0.452 432 H N -0.979 118.084 119.070 -0.011 0.000 2.539 432 H HA 0.222 4.779 4.556 0.001 0.000 0.267 432 H C -0.425 174.903 175.328 -0.000 0.000 0.982 432 H CA -0.040 56.005 56.048 -0.007 0.000 1.146 432 H CB 0.181 29.939 29.762 -0.007 0.000 1.382 432 H HN 0.008 nan 8.280 nan 0.000 0.577 433 L N 1.462 122.743 121.223 0.097 0.000 2.290 433 L HA 0.162 4.502 4.340 0.001 0.000 0.284 433 L C 0.074 176.969 176.870 0.043 0.000 1.078 433 L CA -0.174 54.709 54.840 0.071 0.000 0.815 433 L CB 1.252 43.351 42.059 0.065 0.000 1.162 433 L HN 0.212 nan 8.230 nan 0.000 0.435 434 E N 3.707 123.938 120.200 0.052 0.000 1.972 434 E HA 0.209 4.560 4.350 0.001 0.000 0.292 434 E C -0.518 176.106 176.600 0.041 0.000 1.193 434 E CA -0.227 56.196 56.400 0.037 0.000 1.228 434 E CB 0.309 30.034 29.700 0.041 0.000 1.167 434 E HN 0.428 nan 8.360 nan 0.000 0.479 435 V N -2.344 117.583 119.914 0.021 0.000 3.160 435 V HA 0.676 4.796 4.120 0.001 0.000 0.310 435 V C 1.082 177.160 176.094 -0.027 0.000 1.181 435 V CA -0.628 61.681 62.300 0.015 0.000 1.047 435 V CB 1.397 33.240 31.823 0.035 0.000 1.068 435 V HN 0.309 nan 8.190 nan 0.000 0.441 436 G N 0.386 109.152 108.800 -0.056 0.000 2.394 436 G HA2 0.256 4.216 3.960 0.001 0.000 0.215 436 G HA3 0.256 4.216 3.960 0.001 0.000 0.215 436 G C 0.531 175.372 174.900 -0.098 0.000 1.165 436 G CA 1.180 46.220 45.100 -0.100 0.000 0.784 436 G HN 0.875 nan 8.290 nan 0.000 0.535 437 T N -0.138 114.367 114.554 -0.081 0.000 2.921 437 T HA 0.506 4.857 4.350 0.001 0.000 0.297 437 T C -1.068 173.571 174.700 -0.103 0.000 1.013 437 T CA -0.432 61.596 62.100 -0.120 0.000 0.990 437 T CB 2.769 71.571 68.868 -0.111 0.000 1.023 437 T HN -0.065 nan 8.240 nan 0.000 0.447 438 V N 4.391 124.209 119.914 -0.160 0.000 2.370 438 V HA 0.341 4.462 4.120 0.001 0.000 0.283 438 V C -0.188 175.766 176.094 -0.232 0.000 1.023 438 V CA -0.821 61.408 62.300 -0.117 0.000 0.857 438 V CB 0.903 32.682 31.823 -0.073 0.000 0.985 438 V HN 0.837 nan 8.190 nan 0.000 0.443 439 H N 5.276 124.307 119.070 -0.065 0.000 2.594 439 H HA 0.368 4.925 4.556 0.001 0.000 0.304 439 H C -0.494 174.724 175.328 -0.182 0.000 1.068 439 H CA -0.657 55.335 56.048 -0.093 0.000 1.308 439 H CB 1.614 31.334 29.762 -0.070 0.000 1.409 439 H HN 0.343 nan 8.280 nan 0.000 0.460 440 I N 3.989 124.519 120.570 -0.066 0.000 2.337 440 I HA -0.062 4.109 4.170 0.001 0.000 0.291 440 I C 0.720 176.743 176.117 -0.157 0.000 1.046 440 I CA -0.335 60.888 61.300 -0.128 0.000 1.324 440 I CB -0.197 37.759 38.000 -0.074 0.000 1.409 440 I HN 0.654 nan 8.210 nan 0.000 0.494 441 N N 4.160 122.650 118.700 -0.349 0.000 2.740 441 N HA -0.194 4.546 4.740 0.001 0.000 0.248 441 N C -0.325 175.123 175.510 -0.103 0.000 1.062 441 N CA 1.062 53.961 53.050 -0.253 0.000 0.704 441 N CB -0.558 37.939 38.487 0.016 0.000 0.968 441 N HN 0.820 nan 8.380 nan 0.000 0.547 442 A N -0.451 122.201 122.820 -0.281 0.000 2.605 442 A HA 0.519 4.840 4.320 0.001 0.000 0.294 442 A C -0.087 177.475 177.584 -0.036 0.000 1.062 442 A CA -0.860 51.174 52.037 -0.005 0.000 0.682 442 A CB 1.201 20.225 19.000 0.039 0.000 1.278 442 A HN 0.251 nan 8.150 nan 0.000 0.410 443 K N 0.491 120.936 120.400 0.074 0.000 2.397 443 K HA 0.387 4.708 4.320 0.001 0.000 0.265 443 K C 0.398 176.835 176.600 -0.271 0.000 0.982 443 K CA 0.513 56.811 56.287 0.017 0.000 0.931 443 K CB -0.031 32.480 32.500 0.018 0.000 0.943 443 K HN 0.847 nan 8.250 nan 0.000 0.501 444 T N -0.662 113.772 114.554 -0.200 0.000 2.898 444 T HA 0.206 4.556 4.350 0.001 0.000 0.301 444 T C -0.281 174.258 174.700 -0.269 0.000 1.049 444 T CA -0.529 61.394 62.100 -0.295 0.000 1.095 444 T CB 0.420 69.291 68.868 0.006 0.000 0.976 444 T HN 0.851 nan 8.240 nan 0.000 0.539 445 E N 0.575 120.656 120.200 -0.198 0.000 2.388 445 E HA 0.292 4.643 4.350 0.001 0.000 0.281 445 E C 0.405 177.064 176.600 0.100 0.000 1.046 445 E CA -1.214 55.151 56.400 -0.058 0.000 0.825 445 E CB 1.062 30.690 29.700 -0.120 0.000 1.243 445 E HN 0.558 nan 8.360 nan 0.000 0.438 446 R N 1.806 122.275 120.500 -0.052 0.000 2.057 446 R HA 0.080 4.421 4.340 0.001 0.000 0.229 446 R C 0.984 177.197 176.300 -0.145 0.000 1.136 446 R CA 1.657 57.607 56.100 -0.249 0.000 0.952 446 R CB -0.590 29.283 30.300 -0.712 0.000 0.848 446 R HN 0.536 nan 8.270 nan 0.000 0.430 447 G N 0.704 109.396 108.800 -0.179 0.000 2.553 447 G HA2 0.303 4.264 3.960 0.001 0.000 0.278 447 G HA3 0.303 4.264 3.960 0.001 0.000 0.278 447 G C -2.335 172.459 174.900 -0.177 0.000 1.349 447 G CA -1.182 43.805 45.100 -0.188 0.000 1.037 447 G HN 0.232 nan 8.290 nan 0.000 0.508 448 P HA 0.120 nan 4.420 nan 0.000 0.269 448 P C -0.066 177.035 177.300 -0.332 0.000 1.209 448 P CA -0.202 62.672 63.100 -0.376 0.000 0.776 448 P CB 0.923 32.401 31.700 -0.369 0.000 0.876 449 D N 0.500 120.779 120.400 -0.201 0.000 2.310 449 D HA -0.151 4.489 4.640 0.001 0.000 0.212 449 D C 1.593 177.856 176.300 -0.062 0.000 0.965 449 D CA 1.131 55.035 54.000 -0.159 0.000 0.879 449 D CB -0.182 40.504 40.800 -0.191 0.000 0.921 449 D HN 0.620 nan 8.370 nan 0.000 0.510 450 H N -0.351 118.568 119.070 -0.253 0.000 2.529 450 H HA -0.030 4.527 4.556 0.002 0.000 0.277 450 H C 0.538 175.965 175.328 0.164 0.000 0.999 450 H CA -0.040 55.964 56.048 -0.073 0.000 1.256 450 H CB -0.653 29.054 29.762 -0.092 0.000 1.402 450 H HN -0.081 nan 8.280 nan 0.000 0.566 451 F N 2.801 122.517 119.950 -0.391 0.000 2.459 451 F HA 0.299 4.828 4.527 0.002 0.000 0.346 451 F C -1.739 174.024 175.800 -0.062 0.000 1.128 451 F CA -3.304 54.533 58.000 -0.272 0.000 1.268 451 F CB -0.056 38.815 39.000 -0.216 0.000 1.161 451 F HN -0.005 nan 8.300 nan 0.000 0.583 452 P HA 0.006 nan 4.420 nan 0.000 0.264 452 P C -0.975 176.437 177.300 0.187 0.000 1.193 452 P CA 0.388 63.558 63.100 0.116 0.000 0.763 452 P CB 0.162 31.876 31.700 0.024 0.000 0.810 453 F N 5.991 125.962 119.950 0.035 0.000 2.518 453 F HA 0.674 5.202 4.527 0.002 0.000 0.323 453 F C -1.167 174.650 175.800 0.028 0.000 1.129 453 F CA -0.781 57.239 58.000 0.033 0.000 0.920 453 F CB 0.962 39.977 39.000 0.024 0.000 1.160 453 F HN 0.183 nan 8.300 nan 0.000 0.440 454 L N 3.846 124.633 121.223 -0.725 0.000 2.612 454 L HA 0.934 5.275 4.340 0.001 0.000 0.256 454 L C -1.340 175.243 176.870 -0.479 0.000 0.949 454 L CA -0.895 53.648 54.840 -0.496 0.000 0.867 454 L CB 1.798 43.746 42.059 -0.186 0.000 1.417 454 L HN 0.770 nan 8.230 nan 0.000 0.414 455 G N 1.336 109.961 108.800 -0.292 0.000 2.416 455 G HA2 0.660 4.621 3.960 0.001 0.000 0.329 455 G HA3 0.660 4.621 3.960 0.001 0.000 0.329 455 G C -0.410 174.459 174.900 -0.052 0.000 1.173 455 G CA -0.308 44.709 45.100 -0.137 0.000 0.929 455 G HN 1.064 nan 8.290 nan 0.000 0.475 456 V N -0.382 119.521 119.914 -0.017 0.000 3.234 456 V HA 0.771 4.891 4.120 0.001 0.000 0.317 456 V C 0.840 176.953 176.094 0.033 0.000 1.147 456 V CA -0.665 61.637 62.300 0.004 0.000 1.037 456 V CB 1.147 32.967 31.823 -0.004 0.000 1.148 456 V HN 1.051 nan 8.190 nan 0.000 0.455 457 K N -0.696 119.717 120.400 0.021 0.000 1.867 457 K HA -0.269 4.052 4.320 0.001 0.000 0.140 457 K C 0.999 177.610 176.600 0.019 0.000 1.408 457 K CA 1.935 58.230 56.287 0.012 0.000 0.461 457 K CB -1.216 31.292 32.500 0.013 0.000 0.594 457 K HN 0.815 nan 8.250 nan 0.000 0.888 458 K N 1.250 121.648 120.400 -0.004 0.000 2.522 458 K HA 0.091 4.412 4.320 0.001 0.000 0.194 458 K C 1.243 177.933 176.600 0.151 0.000 1.026 458 K CA 0.343 56.635 56.287 0.009 0.000 1.119 458 K CB 0.162 32.577 32.500 -0.141 0.000 0.856 458 K HN 0.256 nan 8.250 nan 0.000 0.513 459 S N 0.198 116.006 115.700 0.180 0.000 2.548 459 S HA 0.141 4.612 4.470 0.001 0.000 0.215 459 S C 0.613 175.287 174.600 0.125 0.000 0.976 459 S CA 0.224 58.555 58.200 0.218 0.000 0.908 459 S CB 0.732 64.047 63.200 0.192 0.000 0.781 459 S HN 0.589 nan 8.310 nan 0.000 0.519 460 G N 0.389 109.245 108.800 0.093 0.000 2.323 460 G HA2 0.451 4.412 3.960 0.001 0.000 0.291 460 G HA3 0.451 4.412 3.960 0.001 0.000 0.291 460 G C -2.559 172.374 174.900 0.056 0.000 1.278 460 G CA -0.729 44.418 45.100 0.078 0.000 0.860 460 G HN 0.230 nan 8.290 nan 0.000 0.504 461 L N -0.212 121.044 121.223 0.055 0.000 2.705 461 L HA 0.666 5.007 4.340 0.001 0.000 0.260 461 L C 0.436 177.336 176.870 0.049 0.000 0.921 461 L CA 1.832 56.700 54.840 0.047 0.000 0.948 461 L CB 1.539 43.633 42.059 0.058 0.000 1.427 461 L HN 2.816 nan 8.230 nan 0.000 0.432 462 G N 2.630 111.450 108.800 0.033 0.000 2.693 462 G HA2 0.121 4.082 3.960 0.001 0.000 0.226 462 G HA3 0.121 4.082 3.960 0.001 0.000 0.226 462 G C -1.375 173.542 174.900 0.027 0.000 1.354 462 G CA -0.439 44.682 45.100 0.036 0.000 0.873 462 G HN 1.353 nan 8.290 nan 0.000 0.562 463 V N -0.059 119.880 119.914 0.042 0.000 2.808 463 V HA 0.708 4.829 4.120 0.001 0.000 0.308 463 V C 0.131 176.279 176.094 0.090 0.000 1.099 463 V CA -0.629 61.698 62.300 0.045 0.000 0.920 463 V CB 1.525 33.369 31.823 0.035 0.000 1.014 463 V HN 1.056 nan 8.190 nan 0.000 0.425 464 Q N 1.458 121.345 119.800 0.144 0.000 3.106 464 Q HA 0.891 5.232 4.340 0.001 0.000 0.247 464 Q C 0.277 176.393 176.000 0.194 0.000 1.033 464 Q CA -0.355 55.558 55.803 0.184 0.000 0.888 464 Q CB 1.820 30.709 28.738 0.252 0.000 1.586 464 Q HN 1.417 nan 8.270 nan 0.000 0.482 465 G N -0.279 108.617 108.800 0.160 0.000 2.662 465 G HA2 -0.153 3.808 3.960 0.001 0.000 0.686 465 G HA3 -0.153 3.808 3.960 0.001 0.000 0.686 465 G C 0.032 174.989 174.900 0.096 0.000 1.271 465 G CA -0.577 44.596 45.100 0.121 0.000 0.816 465 G HN 0.360 nan 8.290 nan 0.000 0.608 466 I N 0.674 121.301 120.570 0.094 0.000 2.113 466 I HA -0.105 4.066 4.170 0.001 0.000 0.238 466 I C 2.720 178.912 176.117 0.124 0.000 1.070 466 I CA 2.475 63.843 61.300 0.113 0.000 1.332 466 I CB -0.946 37.156 38.000 0.170 0.000 1.044 466 I HN 0.787 nan 8.210 nan 0.000 0.402 467 K N 0.591 121.072 120.400 0.135 0.000 2.031 467 K HA -0.092 4.228 4.320 0.001 0.000 0.205 467 K C -0.479 176.174 176.600 0.088 0.000 1.049 467 K CA 1.016 57.369 56.287 0.111 0.000 0.939 467 K CB -0.818 31.749 32.500 0.112 0.000 0.717 467 K HN 0.134 nan 8.250 nan 0.000 0.438 468 P HA -0.098 nan 4.420 nan 0.000 0.217 468 P C 0.916 178.261 177.300 0.075 0.000 1.148 468 P CA 1.313 64.457 63.100 0.074 0.000 0.828 468 P CB 0.086 31.832 31.700 0.077 0.000 0.783 469 S N -0.825 114.925 115.700 0.084 0.000 2.368 469 S HA -0.075 4.396 4.470 0.001 0.000 0.224 469 S C 1.837 176.482 174.600 0.075 0.000 1.029 469 S CA 0.957 59.206 58.200 0.081 0.000 0.988 469 S CB -1.077 62.171 63.200 0.081 0.000 0.838 469 S HN 0.114 nan 8.310 nan 0.000 0.462 470 L N 0.730 121.999 121.223 0.076 0.000 2.043 470 L HA -0.179 4.162 4.340 0.001 0.000 0.212 470 L C 2.199 179.105 176.870 0.060 0.000 1.075 470 L CA 0.921 55.803 54.840 0.071 0.000 0.752 470 L CB -0.602 41.500 42.059 0.071 0.000 0.891 470 L HN 0.266 nan 8.230 nan 0.000 0.432 471 L N -0.230 121.027 121.223 0.057 0.000 2.046 471 L HA -0.193 4.148 4.340 0.001 0.000 0.208 471 L C 2.842 179.740 176.870 0.046 0.000 1.077 471 L CA 2.081 56.949 54.840 0.047 0.000 0.747 471 L CB -0.937 41.148 42.059 0.044 0.000 0.896 471 L HN 0.373 nan 8.230 nan 0.000 0.432 472 S N -1.916 113.815 115.700 0.053 0.000 2.474 472 S HA -0.107 4.364 4.470 0.001 0.000 0.235 472 S C 1.599 176.231 174.600 0.053 0.000 0.997 472 S CA 0.739 58.971 58.200 0.052 0.000 0.949 472 S CB -0.419 62.817 63.200 0.060 0.000 0.766 472 S HN 0.426 nan 8.310 nan 0.000 0.517 473 M N 2.149 121.783 119.600 0.057 0.000 2.475 473 M HA 0.228 4.709 4.480 0.001 0.000 0.283 473 M C 0.041 176.372 176.300 0.053 0.000 1.165 473 M CA -0.086 55.249 55.300 0.059 0.000 0.976 473 M CB 0.659 33.301 32.600 0.070 0.000 1.428 473 M HN 0.526 nan 8.290 nan 0.000 0.495 474 T N -1.208 113.373 114.554 0.044 0.000 2.778 474 T HA 0.863 5.214 4.350 0.001 0.000 0.293 474 T C -0.811 173.906 174.700 0.029 0.000 1.144 474 T CA -1.067 61.055 62.100 0.036 0.000 1.010 474 T CB 2.111 70.999 68.868 0.033 0.000 1.325 474 T HN 0.343 nan 8.240 nan 0.000 0.515 475 R N -0.673 119.840 120.500 0.022 0.000 2.680 475 R HA 0.712 5.053 4.340 0.001 0.000 0.269 475 R C -1.689 174.618 176.300 0.011 0.000 1.026 475 R CA -0.911 55.199 56.100 0.017 0.000 0.889 475 R CB 0.172 30.482 30.300 0.016 0.000 1.241 475 R HN 0.555 nan 8.270 nan 0.000 0.463 476 E N 0.932 121.137 120.200 0.008 0.000 2.415 476 E HA 0.162 4.513 4.350 0.001 0.000 0.263 476 E C -0.630 175.971 176.600 0.002 0.000 0.995 476 E CA 0.087 56.489 56.400 0.004 0.000 0.915 476 E CB 0.586 30.286 29.700 0.000 0.000 0.951 476 E HN 0.399 nan 8.360 nan 0.000 0.449 477 R N 2.541 123.041 120.500 0.001 0.000 2.393 477 R HA 0.400 4.740 4.340 0.001 0.000 0.315 477 R C -1.750 174.548 176.300 -0.003 0.000 0.952 477 R CA -0.634 55.465 56.100 -0.001 0.000 0.842 477 R CB 0.887 31.187 30.300 -0.001 0.000 1.163 477 R HN 0.333 nan 8.270 nan 0.000 0.450 478 V N 4.005 123.916 119.914 -0.005 0.000 2.435 478 V HA 0.498 4.619 4.120 0.001 0.000 0.290 478 V C -0.247 175.843 176.094 -0.005 0.000 1.030 478 V CA -0.555 61.742 62.300 -0.006 0.000 0.881 478 V CB 1.934 33.751 31.823 -0.009 0.000 0.983 478 V HN 0.850 nan 8.190 nan 0.000 0.445 479 T N 4.297 118.849 114.554 -0.004 0.000 2.786 479 T HA 0.559 4.910 4.350 0.001 0.000 0.283 479 T C -0.460 174.238 174.700 -0.003 0.000 0.992 479 T CA -0.312 61.785 62.100 -0.004 0.000 0.954 479 T CB 1.462 70.328 68.868 -0.003 0.000 0.934 479 T HN 0.371 nan 8.240 nan 0.000 0.440 480 V N 5.575 125.487 119.914 -0.003 0.000 2.417 480 V HA 0.558 4.679 4.120 0.001 0.000 0.291 480 V C -0.244 175.850 176.094 -0.000 0.000 1.024 480 V CA -0.813 61.486 62.300 -0.002 0.000 0.861 480 V CB 1.255 33.077 31.823 -0.003 0.000 0.985 480 V HN 0.709 nan 8.190 nan 0.000 0.436 481 L N 3.916 125.140 121.223 0.001 0.000 2.319 481 L HA 0.627 4.967 4.340 0.001 0.000 0.267 481 L C -0.053 176.819 176.870 0.003 0.000 1.011 481 L CA -0.703 54.138 54.840 0.002 0.000 0.818 481 L CB 1.781 43.841 42.059 0.002 0.000 1.316 481 L HN 0.537 nan 8.230 nan 0.000 0.432 482 N N 2.397 121.099 118.700 0.003 0.000 2.444 482 N HA 0.479 5.220 4.740 0.001 0.000 0.262 482 N C -0.813 174.700 175.510 0.004 0.000 0.974 482 N CA -0.368 52.685 53.050 0.005 0.000 0.933 482 N CB 1.983 40.473 38.487 0.004 0.000 1.137 482 N HN 0.358 nan 8.380 nan 0.000 0.498 483 L N 0.000 121.226 121.223 0.005 0.000 2.949 483 L HA 0.000 4.341 4.340 0.001 0.000 0.249 483 L CA 0.000 54.843 54.840 0.005 0.000 0.813 483 L CB 0.000 42.062 42.059 0.005 0.000 0.961 483 L HN 0.000 nan 8.230 nan 0.000 0.502