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 1bvu_1_F DATA FIRST_RESID 3 DATA SEQUENCE QDPFEIAVKQ LERAAQYMDI SEEALEFLKR PQRIVEVSIP VEMDDGSVKV DATA SEQUENCE FTGFRVQYNW ARGPTKGGIR WHPEETLSTV KALAAWMTWK TAVMDLPYGG DATA SEQUENCE GKGGVICNPK EMSDREKERL ARGYVRAIYD VISPYTDIPA PDVYTNPQIM DATA SEQUENCE AWMMDEYETI SRRKDPSFGV ITGKPPSVGG IVARMDATAR GASYTVREAA DATA SEQUENCE KALGMDLKGK TIAIQGYGNA GYYMAKIMSE EYGMKVVAVS DTKGGIYNPD DATA SEQUENCE GLNADEVLAW KKKTGSVKDF PGATNITNEE LLELEVDVLA PSAIEEVITK DATA SEQUENCE KNADNIKAKI VAELANGPTT PEADEILYEK GILIIPDFLC NAGGVTVSYF DATA SEQUENCE EWVQNITGDY WTVEETRAKL DKKMTKAFWD VYNTHKEKNI NMRDAAYVVA DATA SEQUENCE VSRVYQAMKD RGWIKK 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 3 Q HA 0.000 nan 4.340 nan 0.000 0.214 3 Q C 0.000 176.055 176.000 0.091 0.000 1.003 3 Q CA 0.000 55.858 55.803 0.091 0.000 1.022 3 Q CB 0.000 28.770 28.738 0.053 0.000 1.108 4 D N 3.154 123.585 120.400 0.051 0.000 4.769 4 D HA -0.268 4.373 4.640 0.000 0.000 0.434 4 D C -1.025 175.301 176.300 0.043 0.000 1.471 4 D CA 3.478 57.498 54.000 0.034 0.000 1.222 4 D CB -0.310 40.500 40.800 0.017 0.000 0.703 4 D HN 0.583 nan 8.370 nan 0.000 0.751 5 P HA -0.120 nan 4.420 nan 0.000 0.215 5 P C 1.571 178.944 177.300 0.122 0.000 1.153 5 P CA 1.221 64.345 63.100 0.040 0.000 0.853 5 P CB -0.280 31.427 31.700 0.012 0.000 0.788 6 F N 1.542 121.489 119.950 -0.004 0.000 2.039 6 F HA -0.111 4.416 4.527 0.000 0.000 0.294 6 F C 2.102 177.939 175.800 0.061 0.000 1.130 6 F CA 1.349 59.367 58.000 0.030 0.000 1.189 6 F CB -1.216 37.798 39.000 0.024 0.000 0.983 6 F HN -0.105 nan 8.300 nan 0.000 0.471 7 E N 0.270 120.445 120.200 -0.041 0.000 2.271 7 E HA -0.303 4.047 4.350 0.000 0.000 0.209 7 E C 2.268 178.815 176.600 -0.088 0.000 1.046 7 E CA 2.019 58.353 56.400 -0.109 0.000 0.840 7 E CB -0.512 29.176 29.700 -0.019 0.000 0.738 7 E HN 0.514 nan 8.360 nan 0.000 0.470 8 I N 0.466 121.022 120.570 -0.023 0.000 2.353 8 I HA -0.194 3.976 4.170 0.000 0.000 0.248 8 I C 2.538 178.704 176.117 0.082 0.000 1.119 8 I CA 0.649 61.961 61.300 0.020 0.000 1.417 8 I CB -0.305 37.712 38.000 0.030 0.000 1.078 8 I HN 0.098 nan 8.210 nan 0.000 0.421 9 A N 0.926 123.809 122.820 0.106 0.000 1.845 9 A HA -0.152 4.168 4.320 0.000 0.000 0.215 9 A C 2.434 180.062 177.584 0.073 0.000 1.195 9 A CA 1.784 53.987 52.037 0.278 0.000 0.616 9 A CB -1.053 18.125 19.000 0.296 0.000 0.832 9 A HN 0.188 nan 8.150 nan 0.000 0.443 10 V N 0.543 120.340 119.914 -0.194 0.000 2.278 10 V HA -0.370 3.750 4.120 0.000 0.000 0.251 10 V C 2.494 178.545 176.094 -0.070 0.000 1.062 10 V CA 2.554 64.755 62.300 -0.165 0.000 1.038 10 V CB -0.871 30.791 31.823 -0.267 0.000 0.646 10 V HN 0.547 nan 8.190 nan 0.000 0.447 11 K N -0.605 119.755 120.400 -0.067 0.000 2.020 11 K HA -0.257 4.063 4.320 0.000 0.000 0.212 11 K C 2.331 178.895 176.600 -0.060 0.000 1.050 11 K CA 1.758 58.014 56.287 -0.051 0.000 0.929 11 K CB -0.350 32.130 32.500 -0.035 0.000 0.714 11 K HN 0.477 nan 8.250 nan 0.000 0.443 12 Q N 0.596 120.376 119.800 -0.034 0.000 2.133 12 Q HA -0.229 4.112 4.340 0.000 0.000 0.208 12 Q C 2.266 178.131 176.000 -0.225 0.000 0.991 12 Q CA 1.477 57.197 55.803 -0.140 0.000 0.867 12 Q CB -0.391 28.327 28.738 -0.033 0.000 0.911 12 Q HN 0.274 nan 8.270 nan 0.000 0.417 13 L N 0.842 122.011 121.223 -0.091 0.000 2.007 13 L HA -0.106 4.234 4.340 0.000 0.000 0.205 13 L C 2.099 178.904 176.870 -0.109 0.000 1.073 13 L CA 1.810 56.586 54.840 -0.107 0.000 0.744 13 L CB -0.550 41.490 42.059 -0.032 0.000 0.898 13 L HN 0.112 nan 8.230 nan 0.000 0.435 14 E N -0.492 119.660 120.200 -0.079 0.000 2.171 14 E HA -0.331 4.019 4.350 0.000 0.000 0.197 14 E C 2.257 178.806 176.600 -0.085 0.000 0.997 14 E CA 1.508 57.864 56.400 -0.075 0.000 0.810 14 E CB -0.124 29.539 29.700 -0.062 0.000 0.738 14 E HN 0.513 nan 8.360 nan 0.000 0.467 15 R N 0.381 120.828 120.500 -0.088 0.000 2.090 15 R HA -0.037 4.303 4.340 0.000 0.000 0.228 15 R C 2.099 178.391 176.300 -0.012 0.000 1.110 15 R CA 1.348 57.407 56.100 -0.068 0.000 0.973 15 R CB -0.200 30.060 30.300 -0.067 0.000 0.869 15 R HN 0.072 nan 8.270 nan 0.000 0.440 16 A N 1.027 123.828 122.820 -0.033 0.000 1.929 16 A HA 0.092 4.412 4.320 0.000 0.000 0.216 16 A C 2.457 180.082 177.584 0.069 0.000 1.176 16 A CA 1.174 53.255 52.037 0.075 0.000 0.628 16 A CB -0.790 18.176 19.000 -0.057 0.000 0.816 16 A HN 0.544 nan 8.150 nan 0.000 0.444 17 A N 0.814 123.602 122.820 -0.054 0.000 1.884 17 A HA -0.344 3.976 4.320 0.000 0.000 0.219 17 A C 2.214 179.734 177.584 -0.107 0.000 1.197 17 A CA 2.316 54.296 52.037 -0.094 0.000 0.637 17 A CB -1.013 17.918 19.000 -0.115 0.000 0.827 17 A HN 0.797 nan 8.150 nan 0.000 0.450 18 Q N -1.796 117.902 119.800 -0.171 0.000 2.290 18 Q HA -0.263 4.077 4.340 0.000 0.000 0.211 18 Q C 1.248 177.020 176.000 -0.379 0.000 0.991 18 Q CA 2.291 57.916 55.803 -0.297 0.000 0.893 18 Q CB -0.623 27.866 28.738 -0.415 0.000 0.913 18 Q HN 0.748 nan 8.270 nan 0.000 0.428 19 Y N 1.039 121.293 120.300 -0.077 0.000 2.471 19 Y HA 0.308 4.858 4.550 0.000 0.000 0.286 19 Y C 0.706 176.570 175.900 -0.061 0.000 1.188 19 Y CA -0.016 58.045 58.100 -0.065 0.000 1.286 19 Y CB 0.155 38.574 38.460 -0.068 0.000 1.072 19 Y HN 0.268 nan 8.280 nan 0.000 0.517 20 M N -3.106 116.502 119.600 0.013 0.000 2.682 20 M HA 0.391 4.871 4.480 0.000 0.000 0.272 20 M C -1.792 174.477 176.300 -0.052 0.000 1.232 20 M CA -0.950 54.345 55.300 -0.008 0.000 0.849 20 M CB 1.853 34.447 32.600 -0.011 0.000 1.695 20 M HN -0.327 nan 8.290 nan 0.000 0.481 21 D N 2.295 122.676 120.400 -0.032 0.000 2.325 21 D HA 0.614 5.254 4.640 0.000 0.000 0.251 21 D C -1.411 174.836 176.300 -0.088 0.000 1.196 21 D CA 0.256 54.238 54.000 -0.031 0.000 0.866 21 D CB 1.051 41.864 40.800 0.022 0.000 1.101 21 D HN 0.701 nan 8.370 nan 0.000 0.476 22 I N 1.829 122.300 120.570 -0.165 0.000 2.690 22 I HA 0.103 4.273 4.170 0.000 0.000 0.286 22 I C 0.021 175.997 176.117 -0.234 0.000 1.313 22 I CA -0.476 60.559 61.300 -0.441 0.000 1.070 22 I CB 1.305 38.906 38.000 -0.665 0.000 1.323 22 I HN 0.295 nan 8.210 nan 0.000 0.432 23 S N 4.379 120.040 115.700 -0.065 0.000 2.587 23 S HA -0.027 4.443 4.470 0.000 0.000 0.257 23 S C 0.678 175.266 174.600 -0.019 0.000 1.397 23 S CA 0.643 58.864 58.200 0.036 0.000 0.983 23 S CB 0.646 63.946 63.200 0.166 0.000 0.885 23 S HN 0.877 nan 8.310 nan 0.000 0.556 24 E N -0.298 119.914 120.200 0.019 0.000 2.364 24 E HA 0.013 4.363 4.350 0.000 0.000 0.196 24 E C 2.032 178.667 176.600 0.057 0.000 0.990 24 E CA 0.141 56.551 56.400 0.017 0.000 0.886 24 E CB -0.009 29.700 29.700 0.015 0.000 0.866 24 E HN 0.757 nan 8.360 nan 0.000 0.493 25 E N 0.755 121.005 120.200 0.083 0.000 2.058 25 E HA -0.244 4.106 4.350 0.000 0.000 0.194 25 E C 2.022 178.720 176.600 0.163 0.000 0.997 25 E CA 1.104 57.573 56.400 0.116 0.000 0.801 25 E CB -0.069 29.701 29.700 0.117 0.000 0.746 25 E HN 0.188 nan 8.360 nan 0.000 0.450 26 A N 1.407 124.326 122.820 0.166 0.000 1.841 26 A HA -0.203 4.117 4.320 0.000 0.000 0.216 26 A C 2.252 179.935 177.584 0.165 0.000 1.199 26 A CA 1.297 53.453 52.037 0.198 0.000 0.621 26 A CB -0.957 18.110 19.000 0.112 0.000 0.835 26 A HN 0.153 nan 8.150 nan 0.000 0.445 27 L N -0.967 120.291 121.223 0.058 0.000 2.021 27 L HA -0.276 4.064 4.340 0.000 0.000 0.215 27 L C 2.748 179.682 176.870 0.107 0.000 1.074 27 L CA 1.890 56.761 54.840 0.052 0.000 0.760 27 L CB -0.574 41.482 42.059 -0.006 0.000 0.889 27 L HN 0.356 nan 8.230 nan 0.000 0.433 28 E N -0.429 119.834 120.200 0.104 0.000 2.097 28 E HA -0.242 4.108 4.350 0.000 0.000 0.196 28 E C 1.814 178.480 176.600 0.109 0.000 1.000 28 E CA 1.342 57.798 56.400 0.093 0.000 0.804 28 E CB -0.307 29.441 29.700 0.081 0.000 0.740 28 E HN 0.348 nan 8.360 nan 0.000 0.454 29 F N 0.387 120.361 119.950 0.039 0.000 2.022 29 F HA -0.073 4.454 4.527 0.000 0.000 0.293 29 F C 1.789 177.613 175.800 0.040 0.000 1.142 29 F CA 1.176 59.186 58.000 0.017 0.000 1.177 29 F CB -0.345 38.683 39.000 0.048 0.000 0.982 29 F HN -0.058 nan 8.300 nan 0.000 0.473 30 L N 0.466 121.925 121.223 0.394 0.000 2.865 30 L HA -0.230 4.110 4.340 0.000 0.000 0.249 30 L C 1.485 178.569 176.870 0.355 0.000 1.187 30 L CA 1.027 56.102 54.840 0.391 0.000 0.856 30 L CB -0.628 41.679 42.059 0.414 0.000 1.023 30 L HN 0.246 nan 8.230 nan 0.000 0.461 31 K N -0.211 120.306 120.400 0.195 0.000 2.374 31 K HA 0.195 4.515 4.320 0.000 0.000 0.202 31 K C -0.065 176.708 176.600 0.289 0.000 1.040 31 K CA -0.041 56.383 56.287 0.229 0.000 1.085 31 K CB 0.632 33.199 32.500 0.111 0.000 0.873 31 K HN 0.275 nan 8.250 nan 0.000 0.539 32 R N 0.745 121.277 120.500 0.053 0.000 2.725 32 R HA 0.393 4.733 4.340 0.000 0.000 0.277 32 R C -3.129 172.815 176.300 -0.594 0.000 0.987 32 R CA -2.323 53.745 56.100 -0.055 0.000 0.901 32 R CB 0.809 31.028 30.300 -0.136 0.000 1.207 32 R HN -0.207 nan 8.270 nan 0.000 0.463 33 P HA 0.089 nan 4.420 nan 0.000 0.271 33 P C -0.012 176.931 177.300 -0.595 0.000 1.216 33 P CA -0.212 62.333 63.100 -0.925 0.000 0.776 33 P CB 0.885 32.409 31.700 -0.293 0.000 0.881 34 Q N 1.080 120.528 119.800 -0.588 0.000 2.061 34 Q HA -0.131 4.209 4.340 0.000 0.000 0.204 34 Q C 0.817 176.702 176.000 -0.193 0.000 0.984 34 Q CA 1.541 57.034 55.803 -0.517 0.000 0.846 34 Q CB 0.084 28.292 28.738 -0.884 0.000 0.902 34 Q HN 0.365 nan 8.270 nan 0.000 0.421 35 R N -0.172 120.337 120.500 0.015 0.000 2.628 35 R HA 0.532 4.873 4.340 0.000 0.000 0.288 35 R C -1.709 174.619 176.300 0.046 0.000 0.980 35 R CA -0.320 55.837 56.100 0.094 0.000 0.891 35 R CB 1.218 31.666 30.300 0.247 0.000 1.188 35 R HN -0.011 nan 8.270 nan 0.000 0.450 36 I N 4.143 124.723 120.570 0.016 0.000 2.498 36 I HA 0.379 4.549 4.170 0.000 0.000 0.290 36 I C -0.860 175.286 176.117 0.047 0.000 1.032 36 I CA -1.117 60.196 61.300 0.021 0.000 1.073 36 I CB 2.300 40.287 38.000 -0.022 0.000 1.251 36 I HN 0.261 nan 8.210 nan 0.000 0.426 37 V N 5.262 125.224 119.914 0.080 0.000 2.448 37 V HA 0.420 4.540 4.120 0.000 0.000 0.295 37 V C -0.317 175.867 176.094 0.149 0.000 1.025 37 V CA -0.584 61.766 62.300 0.083 0.000 0.859 37 V CB 1.710 33.562 31.823 0.048 0.000 0.988 37 V HN 0.734 nan 8.190 nan 0.000 0.431 38 E N 3.848 124.133 120.200 0.142 0.000 2.218 38 E HA 0.675 5.025 4.350 0.000 0.000 0.263 38 E C -1.356 175.305 176.600 0.101 0.000 0.879 38 E CA -0.520 55.999 56.400 0.199 0.000 0.762 38 E CB 2.204 32.069 29.700 0.273 0.000 1.166 38 E HN 0.662 nan 8.360 nan 0.000 0.415 39 V N 0.825 120.775 119.914 0.059 0.000 2.823 39 V HA 0.642 4.762 4.120 0.000 0.000 0.312 39 V C -0.355 175.750 176.094 0.018 0.000 1.072 39 V CA -0.825 61.494 62.300 0.032 0.000 0.937 39 V CB 1.926 33.760 31.823 0.017 0.000 1.013 39 V HN 0.520 nan 8.190 nan 0.000 0.430 40 S N 3.758 119.474 115.700 0.027 0.000 2.452 40 S HA 0.669 5.140 4.470 0.000 0.000 0.284 40 S C -0.245 174.387 174.600 0.053 0.000 1.171 40 S CA -0.313 57.907 58.200 0.033 0.000 1.064 40 S CB 0.267 63.483 63.200 0.026 0.000 0.967 40 S HN 0.635 nan 8.310 nan 0.000 0.484 41 I N 5.889 126.512 120.570 0.088 0.000 2.371 41 I HA 0.294 4.464 4.170 0.000 0.000 0.282 41 I C -2.457 173.749 176.117 0.148 0.000 1.031 41 I CA -2.505 58.855 61.300 0.099 0.000 1.180 41 I CB 1.404 39.459 38.000 0.091 0.000 1.336 41 I HN 0.295 nan 8.210 nan 0.000 0.467 42 P HA 0.158 nan 4.420 nan 0.000 0.276 42 P C -0.577 176.783 177.300 0.099 0.000 1.253 42 P CA -0.065 63.093 63.100 0.098 0.000 0.766 42 P CB 0.975 32.703 31.700 0.048 0.000 0.845 43 V N 3.623 123.637 119.914 0.167 0.000 2.495 43 V HA 0.264 4.384 4.120 0.000 0.000 0.298 43 V C 0.409 176.559 176.094 0.092 0.000 1.031 43 V CA -0.718 61.647 62.300 0.109 0.000 0.871 43 V CB 1.941 33.813 31.823 0.082 0.000 0.988 43 V HN 0.483 nan 8.190 nan 0.000 0.432 44 E N 5.129 125.346 120.200 0.029 0.000 2.052 44 E HA 0.287 4.637 4.350 0.000 0.000 0.283 44 E C -0.588 176.016 176.600 0.008 0.000 1.071 44 E CA -0.722 55.686 56.400 0.013 0.000 0.851 44 E CB 0.598 30.294 29.700 -0.007 0.000 1.066 44 E HN 0.471 nan 8.360 nan 0.000 0.396 45 M N 2.998 122.610 119.600 0.021 0.000 2.241 45 M HA 0.073 4.553 4.480 0.000 0.000 0.335 45 M C 0.853 177.151 176.300 -0.004 0.000 1.122 45 M CA -0.200 55.109 55.300 0.016 0.000 1.164 45 M CB 0.234 32.848 32.600 0.024 0.000 1.459 45 M HN 0.424 nan 8.290 nan 0.000 0.461 46 D N 1.713 122.106 120.400 -0.010 0.000 2.220 46 D HA -0.214 4.426 4.640 0.000 0.000 0.198 46 D C 0.889 177.181 176.300 -0.014 0.000 1.001 46 D CA 1.790 55.780 54.000 -0.017 0.000 0.875 46 D CB -0.217 40.573 40.800 -0.017 0.000 0.921 46 D HN 0.760 nan 8.370 nan 0.000 0.454 47 D N -1.661 118.733 120.400 -0.011 0.000 2.323 47 D HA 0.196 4.836 4.640 0.000 0.000 0.239 47 D C 1.382 177.675 176.300 -0.011 0.000 1.129 47 D CA 0.664 54.657 54.000 -0.012 0.000 0.865 47 D CB -0.134 40.658 40.800 -0.012 0.000 0.913 47 D HN 0.149 nan 8.370 nan 0.000 0.517 48 G N 0.020 108.813 108.800 -0.011 0.000 2.184 48 G HA2 -0.317 3.643 3.960 0.000 0.000 0.264 48 G HA3 -0.317 3.643 3.960 0.000 0.000 0.264 48 G C 0.396 175.290 174.900 -0.009 0.000 0.975 48 G CA 0.513 45.606 45.100 -0.011 0.000 0.642 48 G HN 0.920 nan 8.290 nan 0.000 0.536 49 S N -0.690 115.005 115.700 -0.008 0.000 2.554 49 S HA 0.695 5.166 4.470 0.000 0.000 0.278 49 S C 0.047 174.647 174.600 -0.001 0.000 1.242 49 S CA -0.380 57.815 58.200 -0.009 0.000 1.051 49 S CB 2.467 65.658 63.200 -0.016 0.000 0.986 49 S HN 0.915 nan 8.310 nan 0.000 0.502 50 V N 4.026 123.939 119.914 -0.002 0.000 2.385 50 V HA 0.417 4.538 4.120 0.000 0.000 0.269 50 V C 0.335 176.429 176.094 0.000 0.000 1.043 50 V CA -0.441 61.865 62.300 0.011 0.000 0.906 50 V CB 0.704 32.531 31.823 0.007 0.000 0.995 50 V HN 0.972 nan 8.190 nan 0.000 0.467 51 K N 5.027 125.443 120.400 0.027 0.000 2.323 51 K HA 0.621 4.941 4.320 0.000 0.000 0.259 51 K C -1.249 175.325 176.600 -0.044 0.000 0.947 51 K CA -0.623 55.626 56.287 -0.064 0.000 0.819 51 K CB 1.952 34.370 32.500 -0.137 0.000 1.109 51 K HN 0.414 nan 8.250 nan 0.000 0.429 52 V N 5.658 125.497 119.914 -0.125 0.000 2.432 52 V HA 0.275 4.395 4.120 0.000 0.000 0.271 52 V C -0.215 175.774 176.094 -0.175 0.000 1.046 52 V CA -0.391 61.883 62.300 -0.042 0.000 0.945 52 V CB -0.429 31.369 31.823 -0.040 0.000 0.992 52 V HN 0.577 nan 8.190 nan 0.000 0.471 53 F N 1.901 121.802 119.950 -0.082 0.000 2.403 53 F HA 0.678 5.205 4.527 0.000 0.000 0.326 53 F C 0.836 176.570 175.800 -0.111 0.000 1.099 53 F CA -0.999 56.934 58.000 -0.113 0.000 1.036 53 F CB 1.012 39.913 39.000 -0.165 0.000 1.336 53 F HN 0.271 nan 8.300 nan 0.000 0.497 54 T N 0.165 114.745 114.554 0.044 0.000 2.937 54 T HA 0.644 4.994 4.350 0.000 0.000 0.297 54 T C -0.201 174.299 174.700 -0.334 0.000 0.991 54 T CA -0.791 61.236 62.100 -0.121 0.000 0.990 54 T CB 1.234 70.012 68.868 -0.150 0.000 0.991 54 T HN 0.905 nan 8.240 nan 0.000 0.440 55 G N 1.752 110.359 108.800 -0.322 0.000 2.630 55 G HA2 0.850 4.811 3.960 0.000 0.000 0.296 55 G HA3 0.850 4.811 3.960 0.000 0.000 0.296 55 G C -1.695 172.937 174.900 -0.446 0.000 1.285 55 G CA -0.756 44.118 45.100 -0.376 0.000 0.958 55 G HN 0.497 nan 8.290 nan 0.000 0.479 56 F N -1.155 118.949 119.950 0.255 0.000 2.613 56 F HA 0.851 5.378 4.527 0.000 0.000 0.314 56 F C 0.010 175.947 175.800 0.228 0.000 1.075 56 F CA -1.120 56.987 58.000 0.178 0.000 0.945 56 F CB 2.736 41.800 39.000 0.107 0.000 1.310 56 F HN 0.498 nan 8.300 nan 0.000 0.467 57 R N 0.655 121.360 120.500 0.342 0.000 2.564 57 R HA 0.831 5.172 4.340 0.000 0.000 0.284 57 R C -2.420 173.973 176.300 0.156 0.000 1.031 57 R CA -0.595 55.643 56.100 0.231 0.000 0.904 57 R CB 1.988 32.368 30.300 0.133 0.000 1.199 57 R HN 0.565 nan 8.270 nan 0.000 0.443 58 V N 5.003 124.993 119.914 0.126 0.000 2.531 58 V HA 0.443 4.563 4.120 0.000 0.000 0.301 58 V C -0.848 175.319 176.094 0.121 0.000 1.034 58 V CA -0.656 61.700 62.300 0.095 0.000 0.865 58 V CB 1.995 33.851 31.823 0.054 0.000 0.995 58 V HN 0.731 nan 8.190 nan 0.000 0.424 59 Q N 3.754 123.647 119.800 0.154 0.000 2.413 59 Q HA 0.325 4.666 4.340 0.000 0.000 0.258 59 Q C -0.225 175.914 176.000 0.231 0.000 1.037 59 Q CA -0.550 55.399 55.803 0.243 0.000 0.764 59 Q CB 1.738 30.659 28.738 0.305 0.000 1.217 59 Q HN 0.801 nan 8.270 nan 0.000 0.490 60 Y N 2.687 123.027 120.300 0.066 0.000 2.092 60 Y HA -0.081 4.469 4.550 0.000 0.000 0.282 60 Y C 0.562 176.435 175.900 -0.045 0.000 1.126 60 Y CA 1.436 59.521 58.100 -0.025 0.000 1.111 60 Y CB 0.607 39.015 38.460 -0.088 0.000 0.987 60 Y HN 0.501 nan 8.280 nan 0.000 0.489 61 N N -1.240 117.514 118.700 0.089 0.000 2.425 61 N HA 0.068 4.808 4.740 0.000 0.000 0.289 61 N C -1.392 174.277 175.510 0.265 0.000 1.074 61 N CA -0.332 52.753 53.050 0.058 0.000 0.905 61 N CB 0.759 39.358 38.487 0.186 0.000 1.586 61 N HN 0.358 nan 8.380 nan 0.000 0.490 62 W N 3.231 124.732 121.300 0.335 0.000 2.966 62 W HA 0.530 5.191 4.660 0.000 0.000 0.406 62 W C 1.010 177.722 176.519 0.321 0.000 1.027 62 W CA -0.295 57.231 57.345 0.301 0.000 1.930 62 W CB -0.272 29.339 29.460 0.252 0.000 1.144 62 W HN 0.520 nan 8.180 nan 0.000 0.626 63 A N 1.929 124.952 122.820 0.339 0.000 1.917 63 A HA -0.194 4.126 4.320 0.000 0.000 0.219 63 A C 2.152 179.702 177.584 -0.056 0.000 1.182 63 A CA 1.581 53.526 52.037 -0.154 0.000 0.633 63 A CB -0.401 18.434 19.000 -0.276 0.000 0.819 63 A HN 0.397 nan 8.150 nan 0.000 0.448 64 R N -1.195 119.351 120.500 0.076 0.000 2.280 64 R HA 0.271 4.611 4.340 0.000 0.000 0.195 64 R C 0.750 177.109 176.300 0.099 0.000 0.935 64 R CA 0.731 56.865 56.100 0.056 0.000 1.033 64 R CB 0.255 30.594 30.300 0.066 0.000 0.964 64 R HN 0.578 nan 8.270 nan 0.000 0.489 65 G N 1.099 110.011 108.800 0.187 0.000 2.324 65 G HA2 0.059 4.019 3.960 0.000 0.000 0.293 65 G HA3 0.059 4.019 3.960 0.000 0.000 0.293 65 G C -3.150 171.921 174.900 0.284 0.000 1.297 65 G CA -1.025 44.195 45.100 0.201 0.000 0.853 65 G HN -0.244 nan 8.290 nan 0.000 0.535 66 P HA 0.271 nan 4.420 nan 0.000 0.271 66 P C 0.499 177.898 177.300 0.166 0.000 1.216 66 P CA 0.272 63.498 63.100 0.211 0.000 0.776 66 P CB 0.706 32.530 31.700 0.206 0.000 0.881 67 T N 0.916 115.527 114.554 0.095 0.000 2.870 67 T HA 0.233 4.583 4.350 0.000 0.000 0.300 67 T C 0.233 174.808 174.700 -0.208 0.000 0.989 67 T CA -0.557 61.554 62.100 0.017 0.000 1.139 67 T CB 0.214 69.145 68.868 0.105 0.000 0.920 67 T HN 0.165 nan 8.240 nan 0.000 0.537 68 K N 1.576 121.776 120.400 -0.334 0.000 2.138 68 K HA 0.797 5.117 4.320 0.000 0.000 0.263 68 K C 0.160 176.621 176.600 -0.233 0.000 0.965 68 K CA -0.555 55.451 56.287 -0.468 0.000 0.868 68 K CB 1.607 33.673 32.500 -0.723 0.000 1.083 68 K HN 1.142 nan 8.250 nan 0.000 0.443 69 G N 0.562 109.249 108.800 -0.189 0.000 2.318 69 G HA2 0.370 4.330 3.960 0.000 0.000 0.306 69 G HA3 0.370 4.330 3.960 0.000 0.000 0.306 69 G C -0.386 174.467 174.900 -0.079 0.000 1.696 69 G CA -0.453 44.582 45.100 -0.108 0.000 0.905 69 G HN 0.624 nan 8.290 nan 0.000 0.700 70 G N -0.060 108.697 108.800 -0.072 0.000 2.634 70 G HA2 0.571 4.532 3.960 0.000 0.000 0.255 70 G HA3 0.571 4.532 3.960 0.000 0.000 0.255 70 G C 0.219 175.090 174.900 -0.048 0.000 1.205 70 G CA -0.650 44.406 45.100 -0.073 0.000 0.884 70 G HN 0.809 nan 8.290 nan 0.000 0.549 71 I N 0.023 120.542 120.570 -0.086 0.000 2.404 71 I HA 0.420 4.590 4.170 0.000 0.000 0.293 71 I C -0.124 175.922 176.117 -0.117 0.000 0.992 71 I CA -0.627 60.614 61.300 -0.097 0.000 1.149 71 I CB 1.934 39.811 38.000 -0.205 0.000 1.315 71 I HN 0.380 nan 8.210 nan 0.000 0.446 72 R N 4.702 125.203 120.500 0.003 0.000 2.514 72 R HA 0.479 4.819 4.340 0.000 0.000 0.301 72 R C -1.627 174.886 176.300 0.356 0.000 0.962 72 R CA -0.606 55.547 56.100 0.088 0.000 0.882 72 R CB 2.083 32.438 30.300 0.091 0.000 1.143 72 R HN 0.444 nan 8.270 nan 0.000 0.452 73 W N 3.454 124.805 121.300 0.083 0.000 2.362 73 W HA 0.347 5.007 4.660 0.000 0.000 0.316 73 W C -0.127 176.565 176.519 0.289 0.000 1.024 73 W CA -0.265 57.158 57.345 0.131 0.000 1.270 73 W CB 0.770 30.290 29.460 0.099 0.000 1.273 73 W HN 0.416 nan 8.180 nan 0.000 0.424 74 H N 4.885 124.137 119.070 0.304 0.000 3.087 74 H HA 0.147 4.703 4.556 0.000 0.000 0.348 74 H C -1.866 173.558 175.328 0.160 0.000 1.092 74 H CA -1.377 54.824 56.048 0.255 0.000 1.285 74 H CB 3.118 32.985 29.762 0.176 0.000 1.875 74 H HN 0.037 nan 8.280 nan 0.000 0.512 75 P HA -0.090 nan 4.420 nan 0.000 0.218 75 P C 0.249 177.703 177.300 0.257 0.000 1.149 75 P CA 1.086 64.302 63.100 0.194 0.000 0.817 75 P CB 0.626 32.382 31.700 0.093 0.000 0.785 76 E N -0.452 120.013 120.200 0.443 0.000 2.411 76 E HA 0.113 4.463 4.350 0.000 0.000 0.204 76 E C 0.097 176.763 176.600 0.110 0.000 1.059 76 E CA -0.238 56.288 56.400 0.210 0.000 1.112 76 E CB -0.243 29.546 29.700 0.148 0.000 1.168 76 E HN 0.185 nan 8.360 nan 0.000 0.445 77 E N 0.927 121.230 120.200 0.171 0.000 2.373 77 E HA 0.193 4.543 4.350 0.000 0.000 0.263 77 E C -0.275 176.437 176.600 0.187 0.000 1.073 77 E CA -0.040 56.451 56.400 0.152 0.000 0.894 77 E CB 0.670 30.516 29.700 0.244 0.000 1.008 77 E HN 0.129 nan 8.360 nan 0.000 0.420 78 T N 1.259 115.894 114.554 0.135 0.000 2.883 78 T HA 0.246 4.596 4.350 0.000 0.000 0.301 78 T C 0.506 175.084 174.700 -0.203 0.000 1.158 78 T CA -0.900 61.229 62.100 0.049 0.000 1.007 78 T CB 0.779 69.638 68.868 -0.015 0.000 1.186 78 T HN 0.290 nan 8.240 nan 0.000 0.499 79 L N 2.158 123.049 121.223 -0.554 0.000 1.971 79 L HA -0.083 4.257 4.340 0.000 0.000 0.215 79 L C 2.810 179.455 176.870 -0.376 0.000 1.072 79 L CA 2.747 57.135 54.840 -0.753 0.000 0.758 79 L CB -1.565 40.125 42.059 -0.615 0.000 0.889 79 L HN 0.955 nan 8.230 nan 0.000 0.433 80 S N -1.559 114.003 115.700 -0.231 0.000 2.380 80 S HA -0.269 4.201 4.470 0.000 0.000 0.229 80 S C 1.815 176.368 174.600 -0.079 0.000 1.043 80 S CA 1.922 60.053 58.200 -0.114 0.000 1.038 80 S CB -1.227 61.970 63.200 -0.006 0.000 0.872 80 S HN 0.594 nan 8.310 nan 0.000 0.456 81 T N 2.532 117.033 114.554 -0.090 0.000 2.674 81 T HA -0.067 4.283 4.350 0.000 0.000 0.265 81 T C 2.024 176.673 174.700 -0.086 0.000 1.039 81 T CA 1.473 63.529 62.100 -0.074 0.000 1.150 81 T CB -0.723 68.103 68.868 -0.070 0.000 0.864 81 T HN 0.264 nan 8.240 nan 0.000 0.427 82 V N 2.204 122.050 119.914 -0.114 0.000 2.255 82 V HA -0.233 3.887 4.120 0.000 0.000 0.247 82 V C 2.550 178.572 176.094 -0.119 0.000 1.051 82 V CA 1.630 63.876 62.300 -0.090 0.000 1.018 82 V CB -0.609 31.166 31.823 -0.080 0.000 0.641 82 V HN 0.508 nan 8.190 nan 0.000 0.445 83 K N 0.712 120.984 120.400 -0.214 0.000 2.032 83 K HA -0.189 4.131 4.320 0.000 0.000 0.209 83 K C 2.372 178.882 176.600 -0.151 0.000 1.048 83 K CA 1.689 57.801 56.287 -0.291 0.000 0.927 83 K CB -0.670 31.378 32.500 -0.754 0.000 0.712 83 K HN 0.466 nan 8.250 nan 0.000 0.441 84 A N 1.976 124.817 122.820 0.036 0.000 1.892 84 A HA -0.163 4.157 4.320 0.000 0.000 0.218 84 A C 2.272 179.903 177.584 0.080 0.000 1.188 84 A CA 1.464 53.642 52.037 0.236 0.000 0.631 84 A CB -0.764 18.342 19.000 0.177 0.000 0.822 84 A HN 0.193 nan 8.150 nan 0.000 0.447 85 L N -1.104 120.098 121.223 -0.035 0.000 2.156 85 L HA -0.138 4.203 4.340 0.000 0.000 0.208 85 L C 3.087 179.922 176.870 -0.058 0.000 1.095 85 L CA 0.764 55.566 54.840 -0.063 0.000 0.770 85 L CB -0.516 41.487 42.059 -0.093 0.000 0.914 85 L HN 0.467 nan 8.230 nan 0.000 0.439 86 A N 0.317 123.075 122.820 -0.103 0.000 1.865 86 A HA -0.235 4.086 4.320 0.000 0.000 0.217 86 A C 2.568 179.926 177.584 -0.375 0.000 1.191 86 A CA 1.893 53.848 52.037 -0.137 0.000 0.623 86 A CB -0.870 18.109 19.000 -0.035 0.000 0.826 86 A HN 0.388 nan 8.150 nan 0.000 0.444 87 A N -1.339 121.052 122.820 -0.715 0.000 1.884 87 A HA -0.266 4.054 4.320 0.000 0.000 0.219 87 A C 2.166 179.127 177.584 -1.038 0.000 1.197 87 A CA 1.613 52.941 52.037 -1.182 0.000 0.637 87 A CB -1.193 17.371 19.000 -0.726 0.000 0.827 87 A HN 0.796 nan 8.150 nan 0.000 0.450 88 W N -0.613 120.268 121.300 -0.700 0.000 2.318 88 W HA -0.231 4.429 4.660 0.000 0.000 0.313 88 W C 2.415 178.581 176.519 -0.589 0.000 1.221 88 W CA 2.066 59.046 57.345 -0.608 0.000 1.266 88 W CB -0.379 28.900 29.460 -0.302 0.000 1.150 88 W HN 0.288 nan 8.180 nan 0.000 0.496 89 M N -0.000 119.484 119.600 -0.194 0.000 2.080 89 M HA -0.184 4.296 4.480 0.000 0.000 0.260 89 M C 1.913 178.056 176.300 -0.261 0.000 1.068 89 M CA 1.980 57.190 55.300 -0.150 0.000 1.109 89 M CB -1.783 30.748 32.600 -0.115 0.000 1.342 89 M HN -0.120 nan 8.290 nan 0.000 0.405 90 T N -0.276 114.000 114.554 -0.462 0.000 2.649 90 T HA -0.246 4.104 4.350 0.000 0.000 0.268 90 T C 1.444 175.886 174.700 -0.429 0.000 1.036 90 T CA 2.131 63.916 62.100 -0.525 0.000 1.157 90 T CB -0.599 67.791 68.868 -0.797 0.000 0.861 90 T HN 0.596 nan 8.240 nan 0.000 0.445 91 W N 1.237 122.355 121.300 -0.302 0.000 2.467 91 W HA 0.133 4.793 4.660 0.000 0.000 0.275 91 W C 2.510 178.976 176.519 -0.088 0.000 1.239 91 W CA -0.053 57.077 57.345 -0.357 0.000 1.266 91 W CB -0.127 28.772 29.460 -0.934 0.000 1.112 91 W HN 0.188 nan 8.180 nan 0.000 0.576 92 K N 1.023 121.445 120.400 0.038 0.000 1.985 92 K HA -0.184 4.137 4.320 0.000 0.000 0.210 92 K C 2.212 178.896 176.600 0.140 0.000 1.047 92 K CA 2.540 58.952 56.287 0.209 0.000 0.932 92 K CB -0.537 32.037 32.500 0.123 0.000 0.716 92 K HN 0.088 nan 8.250 nan 0.000 0.439 93 T N -0.854 113.739 114.554 0.065 0.000 2.759 93 T HA -0.109 4.241 4.350 0.000 0.000 0.269 93 T C 2.014 176.754 174.700 0.066 0.000 1.042 93 T CA 1.133 63.271 62.100 0.064 0.000 1.140 93 T CB -0.565 68.349 68.868 0.077 0.000 0.864 93 T HN 0.276 nan 8.240 nan 0.000 0.455 94 A N 0.935 123.814 122.820 0.098 0.000 1.877 94 A HA 0.056 4.377 4.320 0.000 0.000 0.216 94 A C 2.652 180.295 177.584 0.097 0.000 1.186 94 A CA 1.490 53.594 52.037 0.112 0.000 0.620 94 A CB -1.248 17.860 19.000 0.179 0.000 0.822 94 A HN 0.366 nan 8.150 nan 0.000 0.443 95 V N -0.249 119.743 119.914 0.130 0.000 2.427 95 V HA -0.196 3.924 4.120 0.000 0.000 0.248 95 V C 2.326 178.447 176.094 0.045 0.000 1.051 95 V CA 1.980 64.331 62.300 0.084 0.000 1.048 95 V CB -0.419 31.453 31.823 0.082 0.000 0.666 95 V HN 0.518 nan 8.190 nan 0.000 0.456 96 M N -0.836 118.793 119.600 0.048 0.000 2.562 96 M HA 0.085 4.565 4.480 0.000 0.000 0.257 96 M C 0.998 177.295 176.300 -0.005 0.000 1.099 96 M CA 0.739 56.052 55.300 0.021 0.000 1.099 96 M CB -1.360 31.246 32.600 0.010 0.000 1.427 96 M HN 0.512 nan 8.290 nan 0.000 0.489 97 D N 1.361 121.760 120.400 -0.000 0.000 2.705 97 D HA -0.168 4.473 4.640 0.000 0.000 0.240 97 D C -1.062 175.182 176.300 -0.094 0.000 1.137 97 D CA 0.356 54.345 54.000 -0.018 0.000 0.677 97 D CB -1.031 39.772 40.800 0.006 0.000 1.049 97 D HN 0.309 nan 8.370 nan 0.000 0.427 98 L N -0.026 121.106 121.223 -0.151 0.000 2.332 98 L HA 0.610 4.950 4.340 0.000 0.000 0.269 98 L C -1.358 175.344 176.870 -0.280 0.000 1.016 98 L CA -1.979 52.636 54.840 -0.374 0.000 0.809 98 L CB 1.189 42.961 42.059 -0.478 0.000 1.280 98 L HN -0.104 nan 8.230 nan 0.000 0.447 99 P HA 0.140 nan 4.420 nan 0.000 0.235 99 P C -1.336 175.813 177.300 -0.252 0.000 1.725 99 P CA 0.227 63.176 63.100 -0.251 0.000 0.894 99 P CB -0.271 31.335 31.700 -0.157 0.000 1.704 100 Y N -0.739 119.514 120.300 -0.078 0.000 2.576 100 Y HA 0.604 5.154 4.550 0.000 0.000 0.346 100 Y C 1.289 177.191 175.900 0.003 0.000 1.018 100 Y CA -0.793 57.267 58.100 -0.067 0.000 1.050 100 Y CB 1.158 39.532 38.460 -0.143 0.000 1.280 100 Y HN -0.046 nan 8.280 nan 0.000 0.474 101 G N -0.339 108.609 108.800 0.248 0.000 2.543 101 G HA2 0.547 4.508 3.960 0.000 0.000 0.267 101 G HA3 0.547 4.508 3.960 0.000 0.000 0.267 101 G C -0.520 174.435 174.900 0.092 0.000 1.406 101 G CA -0.391 44.828 45.100 0.199 0.000 1.048 101 G HN 0.865 nan 8.290 nan 0.000 0.548 102 G N -2.144 106.700 108.800 0.072 0.000 2.571 102 G HA2 0.707 4.667 3.960 0.000 0.000 0.304 102 G HA3 0.707 4.667 3.960 0.000 0.000 0.304 102 G C -0.536 174.387 174.900 0.038 0.000 1.314 102 G CA 0.174 45.263 45.100 -0.018 0.000 0.975 102 G HN 1.190 nan 8.290 nan 0.000 0.485 103 G N -0.541 108.255 108.800 -0.007 0.000 2.687 103 G HA2 0.737 4.697 3.960 0.000 0.000 0.291 103 G HA3 0.737 4.697 3.960 0.000 0.000 0.291 103 G C -1.649 173.253 174.900 0.004 0.000 1.420 103 G CA -0.764 44.359 45.100 0.038 0.000 0.796 103 G HN 0.758 nan 8.290 nan 0.000 0.485 104 K N -1.512 118.910 120.400 0.037 0.000 2.622 104 K HA 0.594 4.914 4.320 0.000 0.000 0.273 104 K C -0.545 176.115 176.600 0.101 0.000 0.957 104 K CA -0.015 56.294 56.287 0.036 0.000 0.861 104 K CB 1.689 34.193 32.500 0.008 0.000 1.405 104 K HN 1.216 nan 8.250 nan 0.000 0.406 105 G N 0.136 109.013 108.800 0.127 0.000 2.658 105 G HA2 0.829 4.789 3.960 0.000 0.000 0.292 105 G HA3 0.829 4.789 3.960 0.000 0.000 0.292 105 G C -1.020 174.000 174.900 0.200 0.000 1.320 105 G CA -0.605 44.637 45.100 0.236 0.000 0.933 105 G HN 0.748 nan 8.290 nan 0.000 0.476 106 G N -1.731 107.236 108.800 0.279 0.000 2.673 106 G HA2 0.638 4.598 3.960 0.000 0.000 0.292 106 G HA3 0.638 4.598 3.960 0.000 0.000 0.292 106 G C -1.760 173.225 174.900 0.143 0.000 1.450 106 G CA -0.376 44.873 45.100 0.248 0.000 0.837 106 G HN 1.112 nan 8.290 nan 0.000 0.505 107 V N 0.596 120.588 119.914 0.130 0.000 2.735 107 V HA 0.535 4.655 4.120 0.000 0.000 0.310 107 V C -0.267 175.817 176.094 -0.017 0.000 1.061 107 V CA -0.752 61.501 62.300 -0.078 0.000 0.913 107 V CB 1.988 33.614 31.823 -0.328 0.000 1.005 107 V HN 0.693 nan 8.190 nan 0.000 0.428 108 I N 4.493 125.039 120.570 -0.040 0.000 2.310 108 I HA 0.569 4.739 4.170 0.000 0.000 0.287 108 I C 0.061 176.214 176.117 0.060 0.000 1.073 108 I CA -0.077 61.253 61.300 0.051 0.000 1.216 108 I CB 0.358 38.392 38.000 0.057 0.000 1.415 108 I HN 0.887 nan 8.210 nan 0.000 0.480 109 C N 2.624 121.951 119.300 0.045 0.000 3.320 109 C HA 0.576 5.036 4.460 0.000 0.000 0.335 109 C C -0.805 174.192 174.990 0.013 0.000 1.430 109 C CA -0.897 58.155 59.018 0.058 0.000 1.271 109 C CB 1.999 29.677 27.740 -0.103 0.000 1.609 109 C HN 0.653 nan 8.230 nan 0.000 0.457 110 N N 1.623 120.322 118.700 -0.002 0.000 2.851 110 N HA 0.410 5.150 4.740 0.000 0.000 0.248 110 N C -1.262 174.205 175.510 -0.072 0.000 1.221 110 N CA -2.139 50.886 53.050 -0.042 0.000 0.847 110 N CB 1.036 39.499 38.487 -0.039 0.000 1.150 110 N HN 0.609 nan 8.380 nan 0.000 0.507 111 P HA -0.227 nan 4.420 nan 0.000 0.217 111 P C 0.729 177.972 177.300 -0.095 0.000 1.148 111 P CA 1.334 64.410 63.100 -0.040 0.000 0.834 111 P CB 0.467 32.192 31.700 0.043 0.000 0.783 112 K N 0.027 120.315 120.400 -0.185 0.000 2.211 112 K HA -0.133 4.187 4.320 0.000 0.000 0.204 112 K C 1.306 177.856 176.600 -0.084 0.000 1.047 112 K CA 1.123 57.312 56.287 -0.163 0.000 0.935 112 K CB -0.238 32.141 32.500 -0.202 0.000 0.728 112 K HN 0.459 nan 8.250 nan 0.000 0.452 113 E N 0.225 120.388 120.200 -0.062 0.000 2.423 113 E HA 0.176 4.526 4.350 0.000 0.000 0.198 113 E C -0.193 176.395 176.600 -0.020 0.000 1.038 113 E CA -0.164 56.215 56.400 -0.035 0.000 1.011 113 E CB 0.239 29.922 29.700 -0.028 0.000 1.118 113 E HN 0.151 nan 8.360 nan 0.000 0.451 114 M N 0.759 120.347 119.600 -0.020 0.000 2.383 114 M HA 0.238 4.718 4.480 0.000 0.000 0.325 114 M C -0.078 176.226 176.300 0.006 0.000 1.092 114 M CA -0.582 54.713 55.300 -0.008 0.000 0.961 114 M CB 2.322 34.911 32.600 -0.018 0.000 1.672 114 M HN -0.119 nan 8.290 nan 0.000 0.438 115 S N 0.751 116.450 115.700 -0.001 0.000 2.579 115 S HA 0.002 4.473 4.470 0.000 0.000 0.275 115 S C 0.747 175.358 174.600 0.018 0.000 1.345 115 S CA -0.309 57.892 58.200 0.002 0.000 1.031 115 S CB 0.534 63.725 63.200 -0.016 0.000 0.892 115 S HN 0.739 nan 8.310 nan 0.000 0.529 116 D N 1.997 122.420 120.400 0.039 0.000 2.133 116 D HA -0.101 4.539 4.640 0.000 0.000 0.195 116 D C 1.982 178.247 176.300 -0.058 0.000 0.997 116 D CA 1.294 55.344 54.000 0.084 0.000 0.840 116 D CB -0.012 40.854 40.800 0.110 0.000 0.947 116 D HN 0.438 nan 8.370 nan 0.000 0.452 117 R N 0.364 120.807 120.500 -0.094 0.000 2.189 117 R HA 0.004 4.345 4.340 0.000 0.000 0.218 117 R C 1.883 178.080 176.300 -0.172 0.000 1.074 117 R CA 0.809 56.801 56.100 -0.179 0.000 0.991 117 R CB 0.116 30.343 30.300 -0.121 0.000 0.883 117 R HN 0.245 nan 8.270 nan 0.000 0.457 118 E N -0.680 119.459 120.200 -0.102 0.000 2.318 118 E HA -0.048 4.303 4.350 0.000 0.000 0.193 118 E C 1.321 177.853 176.600 -0.114 0.000 0.998 118 E CA 0.545 56.885 56.400 -0.100 0.000 0.859 118 E CB 0.305 29.969 29.700 -0.060 0.000 0.812 118 E HN 0.231 nan 8.360 nan 0.000 0.492 119 K N 0.835 121.215 120.400 -0.034 0.000 2.167 119 K HA -0.119 4.201 4.320 0.000 0.000 0.203 119 K C 2.062 178.742 176.600 0.132 0.000 1.052 119 K CA 0.931 57.314 56.287 0.159 0.000 0.956 119 K CB 0.115 32.846 32.500 0.385 0.000 0.735 119 K HN 0.085 nan 8.250 nan 0.000 0.451 120 E N 1.820 121.827 120.200 -0.321 0.000 2.072 120 E HA -0.164 4.186 4.350 0.000 0.000 0.191 120 E C 1.731 178.181 176.600 -0.250 0.000 0.985 120 E CA 1.027 57.013 56.400 -0.689 0.000 0.801 120 E CB 0.143 29.063 29.700 -1.301 0.000 0.750 120 E HN 0.182 nan 8.360 nan 0.000 0.452 121 R N -0.037 120.340 120.500 -0.205 0.000 2.235 121 R HA -0.025 4.316 4.340 0.000 0.000 0.213 121 R C 2.250 178.499 176.300 -0.085 0.000 1.059 121 R CA 0.606 56.630 56.100 -0.126 0.000 0.997 121 R CB -0.158 30.070 30.300 -0.120 0.000 0.884 121 R HN 0.231 nan 8.270 nan 0.000 0.462 122 L N 0.526 121.688 121.223 -0.101 0.000 2.127 122 L HA 0.156 4.497 4.340 0.000 0.000 0.203 122 L C 2.250 179.200 176.870 0.133 0.000 1.080 122 L CA 1.457 56.196 54.840 -0.167 0.000 0.768 122 L CB -0.558 41.186 42.059 -0.526 0.000 0.924 122 L HN 0.072 nan 8.230 nan 0.000 0.444 123 A N 0.149 123.169 122.820 0.334 0.000 1.883 123 A HA -0.248 4.072 4.320 0.000 0.000 0.217 123 A C 2.386 180.144 177.584 0.290 0.000 1.186 123 A CA 2.048 54.321 52.037 0.394 0.000 0.624 123 A CB -0.618 18.637 19.000 0.425 0.000 0.822 123 A HN 0.511 nan 8.150 nan 0.000 0.444 124 R N -1.030 119.581 120.500 0.184 0.000 2.083 124 R HA -0.124 4.216 4.340 0.000 0.000 0.237 124 R C 2.419 178.796 176.300 0.129 0.000 1.137 124 R CA 1.260 57.440 56.100 0.135 0.000 0.951 124 R CB -0.797 29.532 30.300 0.049 0.000 0.851 124 R HN 0.539 nan 8.270 nan 0.000 0.434 125 G N 0.422 109.282 108.800 0.101 0.000 2.418 125 G HA2 -0.328 3.632 3.960 0.000 0.000 0.217 125 G HA3 -0.328 3.632 3.960 0.000 0.000 0.217 125 G C 1.207 176.196 174.900 0.150 0.000 1.158 125 G CA 0.613 45.764 45.100 0.085 0.000 0.771 125 G HN 0.280 nan 8.290 nan 0.000 0.545 126 Y N 1.319 121.660 120.300 0.068 0.000 2.030 126 Y HA -0.212 4.339 4.550 0.000 0.000 0.274 126 Y C 2.969 178.939 175.900 0.116 0.000 1.153 126 Y CA 1.831 59.990 58.100 0.097 0.000 1.115 126 Y CB -0.696 37.858 38.460 0.157 0.000 0.969 126 Y HN 0.036 nan 8.280 nan 0.000 0.488 127 V N 0.771 120.816 119.914 0.218 0.000 2.332 127 V HA -0.360 3.760 4.120 0.000 0.000 0.248 127 V C 2.374 178.551 176.094 0.138 0.000 1.055 127 V CA 2.448 64.841 62.300 0.155 0.000 1.038 127 V CB -0.626 31.346 31.823 0.249 0.000 0.651 127 V HN 0.381 nan 8.190 nan 0.000 0.450 128 R N 0.008 120.570 120.500 0.103 0.000 2.152 128 R HA -0.097 4.243 4.340 0.000 0.000 0.232 128 R C 2.281 178.617 176.300 0.060 0.000 1.117 128 R CA 1.360 57.496 56.100 0.060 0.000 0.981 128 R CB -0.454 29.862 30.300 0.027 0.000 0.870 128 R HN 0.570 nan 8.270 nan 0.000 0.451 129 A N 1.361 124.199 122.820 0.030 0.000 1.903 129 A HA -0.007 4.313 4.320 0.000 0.000 0.213 129 A C 1.851 179.423 177.584 -0.019 0.000 1.185 129 A CA 0.795 52.834 52.037 0.002 0.000 0.628 129 A CB -0.100 18.894 19.000 -0.011 0.000 0.830 129 A HN 0.389 nan 8.150 nan 0.000 0.446 130 I N -4.353 116.160 120.570 -0.095 0.000 3.856 130 I HA 0.355 4.525 4.170 0.000 0.000 0.333 130 I C 1.388 177.492 176.117 -0.022 0.000 1.525 130 I CA -0.353 60.878 61.300 -0.116 0.000 1.173 130 I CB -0.083 37.727 38.000 -0.316 0.000 1.175 130 I HN 0.198 nan 8.210 nan 0.000 0.424 131 Y N 2.810 123.091 120.300 -0.032 0.000 2.128 131 Y HA -0.281 4.269 4.550 0.000 0.000 0.284 131 Y C 1.444 177.378 175.900 0.057 0.000 1.154 131 Y CA 2.114 60.244 58.100 0.051 0.000 1.149 131 Y CB -0.405 38.094 38.460 0.064 0.000 0.976 131 Y HN 0.415 nan 8.280 nan 0.000 0.505 132 D N -0.504 119.881 120.400 -0.025 0.000 2.403 132 D HA -0.104 4.537 4.640 0.000 0.000 0.227 132 D C 1.324 177.523 176.300 -0.168 0.000 0.995 132 D CA 1.226 55.150 54.000 -0.126 0.000 0.928 132 D CB -0.161 40.649 40.800 0.015 0.000 0.887 132 D HN 0.402 nan 8.370 nan 0.000 0.529 133 V N -1.912 117.901 119.914 -0.169 0.000 3.252 133 V HA 0.335 4.455 4.120 0.000 0.000 0.320 133 V C 0.159 176.149 176.094 -0.173 0.000 1.459 133 V CA -0.770 61.436 62.300 -0.157 0.000 1.095 133 V CB -0.923 30.832 31.823 -0.114 0.000 0.997 133 V HN 0.147 nan 8.190 nan 0.000 0.469 134 I N -0.784 119.661 120.570 -0.208 0.000 2.603 134 I HA 1.010 5.180 4.170 0.000 0.000 0.300 134 I C -0.281 175.709 176.117 -0.212 0.000 1.017 134 I CA -0.454 60.726 61.300 -0.199 0.000 1.098 134 I CB 2.063 39.952 38.000 -0.186 0.000 1.279 134 I HN 0.188 nan 8.210 nan 0.000 0.437 135 S N 3.196 118.776 115.700 -0.201 0.000 2.643 135 S HA 0.531 5.001 4.470 0.000 0.000 0.266 135 S C -2.691 171.825 174.600 -0.139 0.000 1.130 135 S CA -0.762 57.359 58.200 -0.132 0.000 0.817 135 S CB 1.299 64.524 63.200 0.042 0.000 1.107 135 S HN 0.450 nan 8.310 nan 0.000 0.471 136 P HA 0.159 nan 4.420 nan 0.000 0.233 136 P C 0.053 177.306 177.300 -0.078 0.000 1.167 136 P CA 0.944 63.953 63.100 -0.150 0.000 0.770 136 P CB -0.163 31.314 31.700 -0.370 0.000 0.837 137 Y N -2.607 117.820 120.300 0.211 0.000 2.481 137 Y HA 0.204 4.754 4.550 0.000 0.000 0.247 137 Y C 1.779 177.734 175.900 0.091 0.000 1.151 137 Y CA 0.457 58.683 58.100 0.210 0.000 1.238 137 Y CB -0.497 38.053 38.460 0.150 0.000 1.179 137 Y HN -0.111 nan 8.280 nan 0.000 0.524 138 T N -1.866 112.751 114.554 0.105 0.000 3.085 138 T HA 0.132 4.482 4.350 0.000 0.000 0.241 138 T C -0.421 174.229 174.700 -0.084 0.000 0.988 138 T CA 0.517 62.596 62.100 -0.035 0.000 1.117 138 T CB 0.585 69.392 68.868 -0.101 0.000 0.978 138 T HN -0.048 nan 8.240 nan 0.000 0.454 139 D N 0.024 120.372 120.400 -0.086 0.000 2.804 139 D HA 0.345 4.985 4.640 0.000 0.000 0.209 139 D C -1.977 174.242 176.300 -0.136 0.000 1.314 139 D CA -0.427 53.507 54.000 -0.110 0.000 0.894 139 D CB 0.908 41.645 40.800 -0.105 0.000 1.615 139 D HN 0.050 nan 8.370 nan 0.000 0.571 140 I N 5.433 125.892 120.570 -0.185 0.000 2.405 140 I HA 0.371 4.541 4.170 0.000 0.000 0.280 140 I C -2.121 173.893 176.117 -0.172 0.000 1.027 140 I CA -1.640 59.548 61.300 -0.186 0.000 1.161 140 I CB 1.650 39.495 38.000 -0.258 0.000 1.300 140 I HN 0.136 nan 8.210 nan 0.000 0.463 141 P HA 0.646 nan 4.420 nan 0.000 0.302 141 P C -0.583 176.661 177.300 -0.093 0.000 1.301 141 P CA -0.396 62.658 63.100 -0.076 0.000 0.745 141 P CB 0.769 32.469 31.700 -0.001 0.000 1.331 142 A N -2.383 120.383 122.820 -0.089 0.000 2.361 142 A HA 0.558 4.879 4.320 0.000 0.000 0.297 142 A C -3.030 174.478 177.584 -0.127 0.000 1.036 142 A CA -0.819 51.154 52.037 -0.106 0.000 0.589 142 A CB 0.045 18.983 19.000 -0.104 0.000 1.418 142 A HN 0.296 nan 8.150 nan 0.000 0.539 143 P HA 0.575 nan 4.420 nan 0.000 0.285 143 P C -0.754 176.463 177.300 -0.137 0.000 1.259 143 P CA 0.528 63.529 63.100 -0.164 0.000 0.794 143 P CB 1.550 33.156 31.700 -0.156 0.000 0.940 144 D N 1.031 121.340 120.400 -0.153 0.000 3.124 144 D HA 0.211 4.851 4.640 0.000 0.000 0.238 144 D C -0.698 175.527 176.300 -0.125 0.000 1.319 144 D CA -0.583 53.346 54.000 -0.118 0.000 1.057 144 D CB 0.695 41.439 40.800 -0.092 0.000 1.244 144 D HN -0.017 nan 8.370 nan 0.000 0.634 145 V N 2.136 121.978 119.914 -0.119 0.000 2.425 145 V HA 0.062 4.182 4.120 0.000 0.000 0.276 145 V C -0.597 175.430 176.094 -0.112 0.000 1.017 145 V CA 0.651 62.827 62.300 -0.208 0.000 1.062 145 V CB -0.776 30.908 31.823 -0.231 0.000 0.997 145 V HN 0.599 nan 8.190 nan 0.000 0.476 146 Y N 2.552 122.850 120.300 -0.003 0.000 3.892 146 Y HA -0.164 4.386 4.550 0.000 0.000 0.231 146 Y C 0.642 176.445 175.900 -0.162 0.000 1.266 146 Y CA 0.671 58.769 58.100 -0.003 0.000 1.856 146 Y CB -2.487 36.046 38.460 0.122 0.000 1.578 146 Y HN 0.861 nan 8.280 nan 0.000 0.669 147 T N -1.589 112.885 114.554 -0.134 0.000 2.900 147 T HA 0.831 5.181 4.350 0.000 0.000 0.303 147 T C -0.254 174.309 174.700 -0.229 0.000 1.142 147 T CA -0.305 61.579 62.100 -0.359 0.000 1.007 147 T CB 3.269 71.772 68.868 -0.607 0.000 1.156 147 T HN 0.287 nan 8.240 nan 0.000 0.490 148 N N 0.116 118.661 118.700 -0.259 0.000 3.204 148 N HA 0.576 5.316 4.740 0.000 0.000 0.285 148 N C -2.722 172.636 175.510 -0.253 0.000 1.536 148 N CA -1.921 51.006 53.050 -0.205 0.000 0.832 148 N CB 0.163 38.552 38.487 -0.164 0.000 1.645 148 N HN 0.218 nan 8.380 nan 0.000 0.586 149 P HA -0.234 nan 4.420 nan 0.000 0.215 149 P C 1.349 178.435 177.300 -0.357 0.000 1.157 149 P CA 1.828 64.781 63.100 -0.244 0.000 0.874 149 P CB 0.164 31.748 31.700 -0.194 0.000 0.790 150 Q N -0.165 119.374 119.800 -0.435 0.000 2.096 150 Q HA -0.201 4.140 4.340 0.000 0.000 0.208 150 Q C 1.986 177.371 176.000 -1.025 0.000 0.993 150 Q CA 1.886 57.236 55.803 -0.755 0.000 0.862 150 Q CB -1.196 27.088 28.738 -0.756 0.000 0.915 150 Q HN 0.212 nan 8.270 nan 0.000 0.416 151 I N -0.545 119.617 120.570 -0.679 0.000 2.315 151 I HA -0.252 3.918 4.170 0.000 0.000 0.248 151 I C 1.966 177.923 176.117 -0.267 0.000 1.117 151 I CA 0.782 61.821 61.300 -0.435 0.000 1.404 151 I CB -0.404 37.353 38.000 -0.405 0.000 1.071 151 I HN 0.328 nan 8.210 nan 0.000 0.419 152 M N 0.657 120.088 119.600 -0.281 0.000 2.108 152 M HA -0.194 4.286 4.480 0.000 0.000 0.261 152 M C 2.596 178.815 176.300 -0.135 0.000 1.066 152 M CA 2.036 57.228 55.300 -0.180 0.000 1.107 152 M CB -1.449 31.043 32.600 -0.181 0.000 1.356 152 M HN 0.279 nan 8.290 nan 0.000 0.406 153 A N -0.615 122.067 122.820 -0.229 0.000 1.930 153 A HA -0.150 4.170 4.320 0.000 0.000 0.217 153 A C 1.934 179.514 177.584 -0.006 0.000 1.175 153 A CA 0.998 52.930 52.037 -0.176 0.000 0.627 153 A CB -0.883 17.953 19.000 -0.274 0.000 0.815 153 A HN 0.571 nan 8.150 nan 0.000 0.443 154 W N -0.486 120.804 121.300 -0.018 0.000 2.363 154 W HA -0.048 4.612 4.660 0.000 0.000 0.296 154 W C 2.333 178.878 176.519 0.044 0.000 1.212 154 W CA 0.944 58.297 57.345 0.013 0.000 1.260 154 W CB -0.975 28.495 29.460 0.017 0.000 1.131 154 W HN 0.315 nan 8.180 nan 0.000 0.530 155 M N -0.798 118.946 119.600 0.240 0.000 2.156 155 M HA -0.205 4.275 4.480 0.000 0.000 0.264 155 M C 2.351 178.766 176.300 0.193 0.000 1.067 155 M CA 1.305 56.728 55.300 0.206 0.000 1.131 155 M CB -0.585 32.105 32.600 0.151 0.000 1.368 155 M HN -0.197 nan 8.290 nan 0.000 0.416 156 M N 0.400 120.081 119.600 0.135 0.000 2.086 156 M HA -0.254 4.226 4.480 0.000 0.000 0.261 156 M C 1.404 177.844 176.300 0.232 0.000 1.067 156 M CA 2.262 57.662 55.300 0.166 0.000 1.116 156 M CB -0.889 31.753 32.600 0.069 0.000 1.348 156 M HN 0.230 nan 8.290 nan 0.000 0.407 157 D N -0.282 120.230 120.400 0.186 0.000 2.149 157 D HA -0.247 4.393 4.640 0.000 0.000 0.198 157 D C 1.825 178.230 176.300 0.176 0.000 0.990 157 D CA 1.716 55.827 54.000 0.184 0.000 0.839 157 D CB 0.020 40.923 40.800 0.172 0.000 0.948 157 D HN 0.467 nan 8.370 nan 0.000 0.460 158 E N -1.269 119.044 120.200 0.189 0.000 2.150 158 E HA -0.185 4.165 4.350 0.000 0.000 0.193 158 E C 1.689 178.382 176.600 0.155 0.000 0.985 158 E CA 0.747 57.234 56.400 0.144 0.000 0.814 158 E CB -0.450 29.335 29.700 0.142 0.000 0.752 158 E HN 0.528 nan 8.360 nan 0.000 0.466 159 Y N 1.488 121.860 120.300 0.120 0.000 2.114 159 Y HA -0.169 4.382 4.550 0.000 0.000 0.284 159 Y C 1.842 177.819 175.900 0.128 0.000 1.143 159 Y CA 2.288 60.486 58.100 0.163 0.000 1.135 159 Y CB -0.179 38.405 38.460 0.208 0.000 0.980 159 Y HN 0.076 nan 8.280 nan 0.000 0.499 160 E N -0.954 119.326 120.200 0.132 0.000 2.171 160 E HA -0.213 4.137 4.350 0.000 0.000 0.197 160 E C 1.927 178.493 176.600 -0.057 0.000 0.997 160 E CA 1.701 58.116 56.400 0.025 0.000 0.810 160 E CB -0.237 29.543 29.700 0.134 0.000 0.738 160 E HN 0.486 nan 8.360 nan 0.000 0.467 161 T N 0.717 115.247 114.554 -0.040 0.000 2.995 161 T HA -0.007 4.343 4.350 0.000 0.000 0.269 161 T C 1.816 176.426 174.700 -0.150 0.000 1.091 161 T CA 0.607 62.668 62.100 -0.065 0.000 1.128 161 T CB 0.087 68.935 68.868 -0.032 0.000 0.891 161 T HN 0.160 nan 8.240 nan 0.000 0.492 162 I N 0.794 121.206 120.570 -0.263 0.000 2.927 162 I HA 0.010 4.180 4.170 0.000 0.000 0.268 162 I C 2.620 178.513 176.117 -0.374 0.000 1.153 162 I CA 0.707 61.744 61.300 -0.439 0.000 1.459 162 I CB -0.302 37.182 38.000 -0.860 0.000 1.149 162 I HN 0.241 nan 8.210 nan 0.000 0.443 163 S N 1.157 116.632 115.700 -0.374 0.000 2.461 163 S HA -0.099 4.371 4.470 0.000 0.000 0.228 163 S C 1.178 175.699 174.600 -0.130 0.000 1.005 163 S CA 0.041 58.092 58.200 -0.248 0.000 0.942 163 S CB 0.009 62.901 63.200 -0.513 0.000 0.776 163 S HN 0.390 nan 8.310 nan 0.000 0.514 164 R N 0.407 120.830 120.500 -0.128 0.000 3.770 164 R HA -0.186 4.154 4.340 0.000 0.000 0.305 164 R C 0.408 176.685 176.300 -0.038 0.000 1.184 164 R CA 0.974 57.034 56.100 -0.067 0.000 0.823 164 R CB -2.841 27.429 30.300 -0.051 0.000 1.285 164 R HN 0.696 nan 8.270 nan 0.000 0.499 165 R N -1.443 119.035 120.500 -0.036 0.000 3.922 165 R HA -0.229 4.112 4.340 0.000 0.000 0.447 165 R C 0.676 176.977 176.300 0.002 0.000 1.035 165 R CA 1.995 58.090 56.100 -0.009 0.000 1.289 165 R CB -1.181 29.111 30.300 -0.012 0.000 1.906 165 R HN 0.468 nan 8.270 nan 0.000 0.540 166 K N 1.157 121.562 120.400 0.008 0.000 2.574 166 K HA -0.068 4.252 4.320 0.000 0.000 0.193 166 K C 0.355 176.990 176.600 0.058 0.000 1.035 166 K CA 1.235 57.538 56.287 0.027 0.000 0.982 166 K CB -0.075 32.442 32.500 0.029 0.000 0.795 166 K HN 0.467 nan 8.250 nan 0.000 0.491 167 D N -1.682 118.762 120.400 0.073 0.000 2.732 167 D HA 0.244 4.885 4.640 0.000 0.000 0.292 167 D C -2.843 173.497 176.300 0.067 0.000 1.135 167 D CA -2.428 51.638 54.000 0.111 0.000 1.071 167 D CB 0.315 41.223 40.800 0.181 0.000 1.457 167 D HN -0.356 nan 8.370 nan 0.000 0.547 168 P HA 0.336 nan 4.420 nan 0.000 0.256 168 P C 0.184 177.512 177.300 0.047 0.000 1.689 168 P CA -0.187 62.899 63.100 -0.023 0.000 1.124 168 P CB 0.813 32.464 31.700 -0.081 0.000 1.766 169 S N 1.516 117.284 115.700 0.113 0.000 2.383 169 S HA -0.146 4.324 4.470 0.000 0.000 0.229 169 S C 1.311 176.139 174.600 0.381 0.000 1.030 169 S CA 1.179 59.558 58.200 0.299 0.000 1.002 169 S CB -0.624 62.743 63.200 0.278 0.000 0.829 169 S HN 0.322 nan 8.310 nan 0.000 0.467 170 F N 1.263 121.259 119.950 0.077 0.000 2.408 170 F HA 0.078 4.605 4.527 0.000 0.000 0.300 170 F C 2.284 178.105 175.800 0.035 0.000 1.090 170 F CA 0.300 58.333 58.000 0.056 0.000 1.427 170 F CB -1.141 37.896 39.000 0.062 0.000 1.070 170 F HN 0.271 nan 8.300 nan 0.000 0.549 171 G N -1.306 107.611 108.800 0.195 0.000 3.088 171 G HA2 0.086 4.046 3.960 0.000 0.000 0.217 171 G HA3 0.086 4.046 3.960 0.000 0.000 0.217 171 G C 1.507 176.498 174.900 0.150 0.000 1.159 171 G CA 0.435 45.615 45.100 0.134 0.000 0.760 171 G HN 0.256 nan 8.290 nan 0.000 0.550 172 V N -0.033 119.892 119.914 0.020 0.000 3.380 172 V HA 0.464 4.585 4.120 0.000 0.000 0.268 172 V C 0.452 176.485 176.094 -0.103 0.000 1.168 172 V CA 0.811 63.020 62.300 -0.151 0.000 1.156 172 V CB -0.394 31.112 31.823 -0.528 0.000 0.785 172 V HN 0.260 nan 8.190 nan 0.000 0.487 173 I N -0.623 119.938 120.570 -0.015 0.000 2.828 173 I HA 0.406 4.576 4.170 0.000 0.000 0.295 173 I C -0.269 175.845 176.117 -0.005 0.000 1.459 173 I CA 0.102 61.383 61.300 -0.032 0.000 1.015 173 I CB 2.312 40.283 38.000 -0.048 0.000 1.345 173 I HN 0.179 nan 8.210 nan 0.000 0.449 174 T N 1.408 115.944 114.554 -0.031 0.000 2.841 174 T HA 0.724 5.074 4.350 0.000 0.000 0.276 174 T C 0.654 175.314 174.700 -0.067 0.000 1.003 174 T CA -0.020 62.065 62.100 -0.025 0.000 0.995 174 T CB 1.559 70.432 68.868 0.009 0.000 1.260 174 T HN 1.673 nan 8.240 nan 0.000 0.581 175 G N 0.453 109.212 108.800 -0.067 0.000 2.137 175 G HA2 -0.194 3.766 3.960 0.000 0.000 0.237 175 G HA3 -0.194 3.766 3.960 0.000 0.000 0.237 175 G C -0.094 174.735 174.900 -0.119 0.000 1.002 175 G CA 0.263 45.307 45.100 -0.092 0.000 0.702 175 G HN 0.865 nan 8.290 nan 0.000 0.515 176 K N 0.974 121.305 120.400 -0.115 0.000 2.154 176 K HA 0.423 4.743 4.320 0.000 0.000 0.264 176 K C -2.039 174.469 176.600 -0.153 0.000 1.008 176 K CA -1.567 54.627 56.287 -0.155 0.000 0.937 176 K CB 1.100 33.495 32.500 -0.176 0.000 1.002 176 K HN 0.082 nan 8.250 nan 0.000 0.469 177 P HA 0.088 nan 4.420 nan 0.000 0.275 177 P C -2.362 174.841 177.300 -0.161 0.000 1.227 177 P CA -1.612 61.392 63.100 -0.159 0.000 0.781 177 P CB 0.616 32.209 31.700 -0.177 0.000 0.906 178 P HA -0.179 nan 4.420 nan 0.000 0.218 178 P C 1.599 178.808 177.300 -0.153 0.000 1.148 178 P CA 1.656 64.680 63.100 -0.127 0.000 0.822 178 P CB -0.453 31.191 31.700 -0.092 0.000 0.784 179 S N -0.803 114.815 115.700 -0.138 0.000 2.528 179 S HA -0.065 4.406 4.470 0.000 0.000 0.244 179 S C 1.030 175.528 174.600 -0.171 0.000 0.982 179 S CA 1.081 59.207 58.200 -0.124 0.000 0.953 179 S CB -1.337 61.806 63.200 -0.096 0.000 0.754 179 S HN 0.144 nan 8.310 nan 0.000 0.529 180 V N -3.947 115.798 119.914 -0.282 0.000 2.719 180 V HA 0.810 4.930 4.120 0.000 0.000 0.330 180 V C 0.743 176.389 176.094 -0.746 0.000 1.224 180 V CA -0.468 61.481 62.300 -0.585 0.000 1.314 180 V CB -0.489 30.955 31.823 -0.631 0.000 1.416 180 V HN 0.636 nan 8.190 nan 0.000 0.651 181 G N -0.250 108.357 108.800 -0.323 0.000 2.136 181 G HA2 -0.055 3.905 3.960 0.000 0.000 0.242 181 G HA3 -0.055 3.905 3.960 0.000 0.000 0.242 181 G C 0.553 175.440 174.900 -0.021 0.000 0.989 181 G CA 0.194 45.275 45.100 -0.033 0.000 0.682 181 G HN 1.620 nan 8.290 nan 0.000 0.522 182 G N -0.497 108.235 108.800 -0.113 0.000 2.522 182 G HA2 0.889 4.849 3.960 0.000 0.000 0.304 182 G HA3 0.889 4.849 3.960 0.000 0.000 0.304 182 G C -0.089 174.790 174.900 -0.035 0.000 1.210 182 G CA -0.421 44.633 45.100 -0.076 0.000 0.960 182 G HN 1.518 nan 8.290 nan 0.000 0.497 183 I N -2.372 118.183 120.570 -0.025 0.000 2.722 183 I HA 0.613 4.783 4.170 0.000 0.000 0.295 183 I C -0.119 175.993 176.117 -0.009 0.000 1.161 183 I CA -1.161 60.135 61.300 -0.006 0.000 1.032 183 I CB 1.773 39.781 38.000 0.014 0.000 1.244 183 I HN 0.366 nan 8.210 nan 0.000 0.421 184 V N 4.282 124.197 119.914 0.001 0.000 3.857 184 V HA 0.359 4.479 4.120 0.000 0.000 0.275 184 V C 1.630 177.734 176.094 0.016 0.000 0.992 184 V CA 1.272 63.574 62.300 0.003 0.000 0.998 184 V CB 0.830 32.663 31.823 0.016 0.000 1.234 184 V HN 1.469 nan 8.190 nan 0.000 0.438 185 A N 0.057 122.883 122.820 0.010 0.000 4.287 185 A HA -0.318 4.002 4.320 0.000 0.000 0.258 185 A C 1.802 179.381 177.584 -0.007 0.000 0.811 185 A CA 2.205 54.257 52.037 0.025 0.000 1.245 185 A CB -1.741 17.314 19.000 0.091 0.000 1.055 185 A HN 1.028 nan 8.150 nan 0.000 0.763 186 R N 0.390 120.879 120.500 -0.018 0.000 2.313 186 R HA 0.272 4.612 4.340 0.000 0.000 0.199 186 R C 1.811 178.058 176.300 -0.088 0.000 0.958 186 R CA 1.296 57.371 56.100 -0.041 0.000 1.047 186 R CB -0.409 29.870 30.300 -0.034 0.000 0.955 186 R HN 0.667 nan 8.270 nan 0.000 0.481 187 M N 1.625 121.153 119.600 -0.120 0.000 2.160 187 M HA -0.059 4.421 4.480 0.000 0.000 0.264 187 M C 1.111 177.173 176.300 -0.398 0.000 1.073 187 M CA 1.772 56.965 55.300 -0.180 0.000 1.142 187 M CB -0.252 32.268 32.600 -0.133 0.000 1.358 187 M HN 0.184 nan 8.290 nan 0.000 0.422 188 D N 0.678 120.756 120.400 -0.537 0.000 2.339 188 D HA 0.131 4.771 4.640 0.000 0.000 0.217 188 D C 1.586 177.699 176.300 -0.313 0.000 1.050 188 D CA 0.754 54.328 54.000 -0.711 0.000 0.856 188 D CB -0.328 40.038 40.800 -0.723 0.000 0.922 188 D HN 0.212 nan 8.370 nan 0.000 0.518 189 A N 1.441 124.152 122.820 -0.181 0.000 1.883 189 A HA -0.335 3.986 4.320 0.000 0.000 0.222 189 A C 2.342 179.881 177.584 -0.076 0.000 1.339 189 A CA 3.234 55.221 52.037 -0.084 0.000 0.692 189 A CB -1.561 17.409 19.000 -0.050 0.000 0.845 189 A HN 0.320 nan 8.150 nan 0.000 0.467 190 T N -0.075 114.435 114.554 -0.075 0.000 2.665 190 T HA -0.106 4.244 4.350 0.000 0.000 0.268 190 T C 2.160 176.820 174.700 -0.065 0.000 1.035 190 T CA 2.370 64.440 62.100 -0.051 0.000 1.151 190 T CB -0.603 68.244 68.868 -0.036 0.000 0.862 190 T HN 0.744 nan 8.240 nan 0.000 0.438 191 A N 1.272 124.042 122.820 -0.083 0.000 1.897 191 A HA -0.014 4.306 4.320 0.000 0.000 0.215 191 A C 2.245 179.741 177.584 -0.147 0.000 1.181 191 A CA 1.853 53.839 52.037 -0.085 0.000 0.620 191 A CB -0.539 18.442 19.000 -0.032 0.000 0.821 191 A HN 0.467 nan 8.150 nan 0.000 0.443 192 R N -0.268 120.126 120.500 -0.176 0.000 2.070 192 R HA -0.062 4.278 4.340 0.000 0.000 0.233 192 R C 2.232 178.281 176.300 -0.419 0.000 1.137 192 R CA 2.042 57.972 56.100 -0.283 0.000 0.945 192 R CB -1.080 29.113 30.300 -0.178 0.000 0.845 192 R HN 0.352 nan 8.270 nan 0.000 0.430 193 G N 0.049 108.762 108.800 -0.145 0.000 2.553 193 G HA2 -0.363 3.597 3.960 0.000 0.000 0.218 193 G HA3 -0.363 3.597 3.960 0.000 0.000 0.218 193 G C 1.626 176.488 174.900 -0.063 0.000 1.195 193 G CA 1.158 46.271 45.100 0.021 0.000 0.779 193 G HN 0.552 nan 8.290 nan 0.000 0.577 194 A N 1.058 123.815 122.820 -0.104 0.000 1.986 194 A HA -0.096 4.224 4.320 0.000 0.000 0.220 194 A C 2.736 180.195 177.584 -0.207 0.000 1.171 194 A CA 2.828 54.792 52.037 -0.121 0.000 0.640 194 A CB -0.791 18.152 19.000 -0.095 0.000 0.811 194 A HN 0.937 nan 8.150 nan 0.000 0.451 195 S N -1.243 114.270 115.700 -0.313 0.000 2.399 195 S HA -0.202 4.268 4.470 0.000 0.000 0.231 195 S C 1.820 176.168 174.600 -0.420 0.000 1.022 195 S CA 1.512 59.460 58.200 -0.419 0.000 0.983 195 S CB -0.759 62.200 63.200 -0.402 0.000 0.803 195 S HN 0.566 nan 8.310 nan 0.000 0.480 196 Y N 3.149 123.355 120.300 -0.157 0.000 2.220 196 Y HA -0.002 4.548 4.550 0.000 0.000 0.291 196 Y C 3.289 179.025 175.900 -0.274 0.000 1.129 196 Y CA 0.774 58.786 58.100 -0.147 0.000 1.161 196 Y CB -1.687 36.754 38.460 -0.031 0.000 0.997 196 Y HN 0.542 nan 8.280 nan 0.000 0.522 197 T N -1.971 112.487 114.554 -0.160 0.000 2.652 197 T HA -0.209 4.142 4.350 0.000 0.000 0.267 197 T C 2.032 176.368 174.700 -0.607 0.000 1.039 197 T CA 1.838 63.660 62.100 -0.463 0.000 1.153 197 T CB -1.217 67.474 68.868 -0.296 0.000 0.863 197 T HN 0.092 nan 8.240 nan 0.000 0.428 198 V N 2.346 122.023 119.914 -0.396 0.000 2.231 198 V HA -0.277 3.843 4.120 0.000 0.000 0.250 198 V C 3.000 178.869 176.094 -0.375 0.000 1.058 198 V CA 2.506 64.590 62.300 -0.361 0.000 1.022 198 V CB -0.937 30.704 31.823 -0.304 0.000 0.640 198 V HN 0.531 nan 8.190 nan 0.000 0.445 199 R N -0.440 119.829 120.500 -0.385 0.000 2.119 199 R HA -0.238 4.102 4.340 0.000 0.000 0.246 199 R C 2.318 178.497 176.300 -0.202 0.000 1.146 199 R CA 2.057 57.994 56.100 -0.272 0.000 0.962 199 R CB -0.187 30.010 30.300 -0.172 0.000 0.863 199 R HN 0.554 nan 8.270 nan 0.000 0.442 200 E N 0.101 120.095 120.200 -0.344 0.000 2.028 200 E HA -0.101 4.249 4.350 0.000 0.000 0.190 200 E C 1.968 178.240 176.600 -0.546 0.000 0.984 200 E CA 1.171 57.324 56.400 -0.411 0.000 0.800 200 E CB -0.510 28.679 29.700 -0.851 0.000 0.758 200 E HN 0.437 nan 8.360 nan 0.000 0.448 201 A N 1.909 124.229 122.820 -0.833 0.000 1.903 201 A HA -0.259 4.062 4.320 0.000 0.000 0.219 201 A C 2.449 179.916 177.584 -0.196 0.000 1.191 201 A CA 2.778 54.541 52.037 -0.457 0.000 0.638 201 A CB -0.865 17.924 19.000 -0.352 0.000 0.823 201 A HN 0.287 nan 8.150 nan 0.000 0.451 202 A N -0.553 122.166 122.820 -0.169 0.000 1.859 202 A HA -0.248 4.073 4.320 0.000 0.000 0.217 202 A C 2.142 179.721 177.584 -0.008 0.000 1.198 202 A CA 2.073 54.070 52.037 -0.068 0.000 0.629 202 A CB -0.606 18.358 19.000 -0.059 0.000 0.830 202 A HN 0.530 nan 8.150 nan 0.000 0.446 203 K N -0.789 119.623 120.400 0.019 0.000 2.000 203 K HA -0.255 4.066 4.320 0.000 0.000 0.218 203 K C 2.358 179.040 176.600 0.137 0.000 1.053 203 K CA 1.535 57.892 56.287 0.116 0.000 0.946 203 K CB -0.602 32.045 32.500 0.246 0.000 0.723 203 K HN 0.468 nan 8.250 nan 0.000 0.446 204 A N 1.429 124.320 122.820 0.119 0.000 1.929 204 A HA -0.211 4.110 4.320 0.000 0.000 0.221 204 A C 1.974 179.614 177.584 0.093 0.000 1.211 204 A CA 1.869 53.937 52.037 0.050 0.000 0.657 204 A CB -0.827 17.987 19.000 -0.310 0.000 0.827 204 A HN 0.325 nan 8.150 nan 0.000 0.462 205 L N -0.591 120.673 121.223 0.067 0.000 2.627 205 L HA 0.263 4.603 4.340 0.000 0.000 0.232 205 L C 1.320 178.231 176.870 0.069 0.000 1.150 205 L CA 0.145 55.033 54.840 0.079 0.000 0.917 205 L CB -0.742 41.353 42.059 0.059 0.000 1.104 205 L HN 0.540 nan 8.230 nan 0.000 0.445 206 G N 2.239 111.083 108.800 0.074 0.000 2.369 206 G HA2 -0.283 3.677 3.960 0.000 0.000 0.286 206 G HA3 -0.283 3.677 3.960 0.000 0.000 0.286 206 G C -0.148 174.781 174.900 0.049 0.000 0.938 206 G CA 0.867 46.005 45.100 0.064 0.000 1.271 206 G HN 0.492 nan 8.290 nan 0.000 0.488 207 M N -0.592 119.033 119.600 0.042 0.000 2.433 207 M HA 0.738 5.218 4.480 0.000 0.000 0.290 207 M C -1.024 175.295 176.300 0.031 0.000 1.173 207 M CA -1.256 54.063 55.300 0.033 0.000 0.905 207 M CB 2.308 34.924 32.600 0.027 0.000 1.692 207 M HN 0.058 nan 8.290 nan 0.000 0.462 208 D N 2.677 123.097 120.400 0.033 0.000 2.198 208 D HA 0.394 5.034 4.640 0.000 0.000 0.245 208 D C 0.212 176.535 176.300 0.039 0.000 1.079 208 D CA -0.444 53.580 54.000 0.040 0.000 0.854 208 D CB 1.175 41.999 40.800 0.040 0.000 1.148 208 D HN 0.845 nan 8.370 nan 0.000 0.456 209 L N 2.619 123.871 121.223 0.050 0.000 2.005 209 L HA -0.034 4.306 4.340 0.000 0.000 0.207 209 L C 1.529 178.436 176.870 0.061 0.000 1.072 209 L CA 0.600 55.471 54.840 0.052 0.000 0.744 209 L CB -0.503 41.594 42.059 0.064 0.000 0.895 209 L HN 0.475 nan 8.230 nan 0.000 0.433 210 K N 0.505 120.948 120.400 0.073 0.000 2.513 210 K HA -0.105 4.215 4.320 0.000 0.000 0.275 210 K C 1.061 177.686 176.600 0.041 0.000 1.025 210 K CA 0.884 57.205 56.287 0.056 0.000 1.125 210 K CB 0.105 32.631 32.500 0.044 0.000 0.843 210 K HN 0.401 nan 8.250 nan 0.000 0.486 211 G N 3.065 111.886 108.800 0.036 0.000 2.320 211 G HA2 -0.258 3.702 3.960 0.000 0.000 0.242 211 G HA3 -0.258 3.702 3.960 0.000 0.000 0.242 211 G C 0.004 174.922 174.900 0.030 0.000 1.033 211 G CA 0.298 45.415 45.100 0.029 0.000 0.620 211 G HN 0.583 nan 8.290 nan 0.000 0.517 212 K N 1.538 121.958 120.400 0.032 0.000 2.229 212 K HA 0.448 4.768 4.320 0.000 0.000 0.250 212 K C 0.996 177.613 176.600 0.029 0.000 1.016 212 K CA 0.942 57.245 56.287 0.028 0.000 0.866 212 K CB -0.257 32.257 32.500 0.023 0.000 1.028 212 K HN 0.833 nan 8.250 nan 0.000 0.514 213 T N -2.356 112.215 114.554 0.028 0.000 2.912 213 T HA 0.725 5.075 4.350 0.000 0.000 0.288 213 T C -0.204 174.513 174.700 0.028 0.000 1.030 213 T CA -0.892 61.228 62.100 0.034 0.000 1.020 213 T CB 1.263 70.160 68.868 0.049 0.000 1.056 213 T HN 0.450 nan 8.240 nan 0.000 0.480 214 I N 0.770 121.359 120.570 0.031 0.000 2.828 214 I HA 0.802 4.973 4.170 0.000 0.000 0.302 214 I C -1.415 174.727 176.117 0.041 0.000 1.101 214 I CA -0.939 60.376 61.300 0.025 0.000 1.031 214 I CB 1.988 39.996 38.000 0.013 0.000 1.231 214 I HN 1.101 nan 8.210 nan 0.000 0.427 215 A N 7.641 130.485 122.820 0.041 0.000 2.353 215 A HA 0.786 5.107 4.320 0.000 0.000 0.299 215 A C -1.268 176.345 177.584 0.048 0.000 1.089 215 A CA -0.383 51.686 52.037 0.054 0.000 0.736 215 A CB 0.719 19.755 19.000 0.060 0.000 1.195 215 A HN 0.588 nan 8.150 nan 0.000 0.447 216 I N 2.015 122.623 120.570 0.062 0.000 2.362 216 I HA 0.306 4.476 4.170 0.000 0.000 0.289 216 I C 0.278 176.447 176.117 0.086 0.000 0.994 216 I CA -0.342 61.002 61.300 0.074 0.000 1.158 216 I CB 1.927 39.990 38.000 0.106 0.000 1.315 216 I HN 0.797 nan 8.210 nan 0.000 0.451 217 Q N 6.124 125.965 119.800 0.069 0.000 2.294 217 Q HA 0.561 4.902 4.340 0.000 0.000 0.257 217 Q C -0.109 175.943 176.000 0.087 0.000 0.955 217 Q CA -0.222 55.623 55.803 0.070 0.000 0.936 217 Q CB 1.256 30.024 28.738 0.050 0.000 1.188 217 Q HN 0.934 nan 8.270 nan 0.000 0.420 218 G N 3.104 111.972 108.800 0.113 0.000 2.907 218 G HA2 -0.255 3.705 3.960 0.000 0.000 0.686 218 G HA3 -0.255 3.705 3.960 0.000 0.000 0.686 218 G C -1.523 173.509 174.900 0.220 0.000 1.115 218 G CA -0.565 44.613 45.100 0.130 0.000 0.760 218 G HN 0.634 nan 8.290 nan 0.000 0.620 219 Y N 2.738 123.065 120.300 0.045 0.000 2.516 219 Y HA 0.531 5.082 4.550 0.000 0.000 0.341 219 Y C 1.149 177.091 175.900 0.070 0.000 0.912 219 Y CA 0.305 58.440 58.100 0.058 0.000 1.167 219 Y CB 0.216 38.702 38.460 0.042 0.000 1.195 219 Y HN 0.935 nan 8.280 nan 0.000 0.610 220 G N 0.464 109.255 108.800 -0.015 0.000 2.882 220 G HA2 -0.016 3.944 3.960 0.000 0.000 0.164 220 G HA3 -0.016 3.944 3.960 0.000 0.000 0.164 220 G C 0.655 175.534 174.900 -0.035 0.000 1.429 220 G CA -0.215 44.872 45.100 -0.021 0.000 1.059 220 G HN 0.323 nan 8.290 nan 0.000 0.581 221 N N -0.239 118.491 118.700 0.049 0.000 2.039 221 N HA -0.080 4.660 4.740 0.000 0.000 0.193 221 N C 2.464 178.094 175.510 0.200 0.000 1.044 221 N CA 1.970 55.126 53.050 0.176 0.000 0.847 221 N CB -0.333 38.247 38.487 0.154 0.000 1.030 221 N HN 0.439 nan 8.380 nan 0.000 0.422 222 A N -0.214 122.656 122.820 0.084 0.000 1.851 222 A HA -0.039 4.281 4.320 0.000 0.000 0.216 222 A C 2.333 179.914 177.584 -0.006 0.000 1.195 222 A CA 2.058 54.119 52.037 0.041 0.000 0.622 222 A CB -1.528 17.481 19.000 0.014 0.000 0.831 222 A HN 0.436 nan 8.150 nan 0.000 0.444 223 G N -1.777 107.002 108.800 -0.034 0.000 2.440 223 G HA2 -0.289 3.672 3.960 0.000 0.000 0.218 223 G HA3 -0.289 3.672 3.960 0.000 0.000 0.218 223 G C 1.583 176.319 174.900 -0.273 0.000 1.154 223 G CA 1.413 46.474 45.100 -0.065 0.000 0.767 223 G HN 0.618 nan 8.290 nan 0.000 0.552 224 Y N 0.352 120.297 120.300 -0.591 0.000 2.181 224 Y HA -0.083 4.467 4.550 0.000 0.000 0.288 224 Y C 2.457 178.076 175.900 -0.467 0.000 1.146 224 Y CA 1.057 58.610 58.100 -0.911 0.000 1.164 224 Y CB -0.478 37.461 38.460 -0.869 0.000 0.982 224 Y HN 0.244 nan 8.280 nan 0.000 0.515 225 Y N -0.978 118.923 120.300 -0.665 0.000 2.184 225 Y HA -0.192 4.358 4.550 0.000 0.000 0.290 225 Y C 2.650 178.341 175.900 -0.348 0.000 1.129 225 Y CA 1.758 59.521 58.100 -0.562 0.000 1.144 225 Y CB -0.809 37.485 38.460 -0.278 0.000 0.995 225 Y HN 0.209 nan 8.280 nan 0.000 0.513 226 M N 0.327 119.884 119.600 -0.072 0.000 2.108 226 M HA -0.242 4.238 4.480 0.000 0.000 0.257 226 M C 2.140 178.397 176.300 -0.071 0.000 1.071 226 M CA 1.981 57.242 55.300 -0.066 0.000 1.093 226 M CB -0.852 31.719 32.600 -0.047 0.000 1.345 226 M HN 0.212 nan 8.290 nan 0.000 0.403 227 A N -0.486 122.273 122.820 -0.102 0.000 1.841 227 A HA -0.196 4.124 4.320 0.000 0.000 0.214 227 A C 2.310 179.846 177.584 -0.080 0.000 1.195 227 A CA 1.977 53.992 52.037 -0.037 0.000 0.611 227 A CB -0.851 18.211 19.000 0.104 0.000 0.835 227 A HN 0.536 nan 8.150 nan 0.000 0.443 228 K N -0.511 119.749 120.400 -0.234 0.000 2.032 228 K HA -0.152 4.168 4.320 0.000 0.000 0.209 228 K C 1.920 178.477 176.600 -0.073 0.000 1.048 228 K CA 1.824 57.994 56.287 -0.194 0.000 0.927 228 K CB -0.337 31.912 32.500 -0.417 0.000 0.712 228 K HN 0.526 nan 8.250 nan 0.000 0.441 229 I N 0.619 121.160 120.570 -0.049 0.000 2.163 229 I HA -0.292 3.878 4.170 0.000 0.000 0.240 229 I C 2.440 178.628 176.117 0.119 0.000 1.081 229 I CA 0.829 62.149 61.300 0.034 0.000 1.353 229 I CB -0.140 37.885 38.000 0.041 0.000 1.054 229 I HN 0.178 nan 8.210 nan 0.000 0.407 230 M N 0.435 120.092 119.600 0.097 0.000 2.108 230 M HA -0.173 4.307 4.480 0.000 0.000 0.261 230 M C 2.654 179.038 176.300 0.141 0.000 1.066 230 M CA 2.130 57.521 55.300 0.153 0.000 1.107 230 M CB -1.479 31.142 32.600 0.036 0.000 1.356 230 M HN 0.383 nan 8.290 nan 0.000 0.406 231 S N -0.814 114.925 115.700 0.064 0.000 2.357 231 S HA -0.093 4.378 4.470 0.000 0.000 0.221 231 S C 1.945 176.559 174.600 0.025 0.000 1.031 231 S CA 1.096 59.321 58.200 0.041 0.000 0.982 231 S CB -0.454 62.758 63.200 0.020 0.000 0.853 231 S HN 0.452 nan 8.310 nan 0.000 0.458 232 E N 1.401 121.607 120.200 0.009 0.000 2.015 232 E HA -0.110 4.241 4.350 0.000 0.000 0.191 232 E C 2.323 178.887 176.600 -0.060 0.000 0.991 232 E CA 1.569 57.960 56.400 -0.015 0.000 0.802 232 E CB -0.037 29.655 29.700 -0.014 0.000 0.759 232 E HN 0.696 nan 8.360 nan 0.000 0.447 233 E N -0.845 119.291 120.200 -0.107 0.000 2.086 233 E HA -0.111 4.239 4.350 0.000 0.000 0.190 233 E C 1.694 177.973 176.600 -0.535 0.000 0.975 233 E CA 0.718 56.919 56.400 -0.331 0.000 0.813 233 E CB 0.043 29.475 29.700 -0.446 0.000 0.768 233 E HN 0.361 nan 8.360 nan 0.000 0.457 234 Y N 0.030 120.328 120.300 -0.005 0.000 2.523 234 Y HA 0.211 4.761 4.550 0.000 0.000 0.279 234 Y C 1.569 177.469 175.900 -0.000 0.000 1.139 234 Y CA 0.461 58.559 58.100 -0.002 0.000 1.296 234 Y CB 0.534 38.986 38.460 -0.012 0.000 1.045 234 Y HN 0.105 nan 8.280 nan 0.000 0.538 235 G N 0.702 109.537 108.800 0.059 0.000 2.221 235 G HA2 -0.309 3.652 3.960 0.000 0.000 0.265 235 G HA3 -0.309 3.652 3.960 0.000 0.000 0.265 235 G C 0.210 175.146 174.900 0.059 0.000 1.041 235 G CA 0.109 45.234 45.100 0.042 0.000 0.807 235 G HN 0.241 nan 8.290 nan 0.000 0.502 236 M N -0.942 118.705 119.600 0.078 0.000 2.197 236 M HA 0.396 4.877 4.480 0.000 0.000 0.305 236 M C 0.787 177.108 176.300 0.036 0.000 1.162 236 M CA 0.006 55.340 55.300 0.058 0.000 1.099 236 M CB 0.928 33.563 32.600 0.059 0.000 1.430 236 M HN 0.053 nan 8.290 nan 0.000 0.481 237 K N 1.013 121.430 120.400 0.028 0.000 2.265 237 K HA 0.411 4.732 4.320 0.000 0.000 0.267 237 K C -1.437 175.171 176.600 0.013 0.000 0.994 237 K CA -0.412 55.885 56.287 0.016 0.000 0.860 237 K CB 1.331 33.839 32.500 0.014 0.000 1.099 237 K HN 0.372 nan 8.250 nan 0.000 0.448 238 V N 5.783 125.698 119.914 0.002 0.000 2.322 238 V HA 0.003 4.123 4.120 0.000 0.000 0.258 238 V C 1.089 177.164 176.094 -0.031 0.000 1.074 238 V CA -0.193 62.107 62.300 -0.001 0.000 0.909 238 V CB 0.655 32.479 31.823 0.002 0.000 1.090 238 V HN 0.720 nan 8.190 nan 0.000 0.486 239 V N 2.193 122.101 119.914 -0.010 0.000 3.174 239 V HA 0.610 4.730 4.120 0.000 0.000 0.254 239 V C 0.781 176.856 176.094 -0.032 0.000 1.120 239 V CA 0.884 63.151 62.300 -0.055 0.000 1.114 239 V CB 0.214 32.073 31.823 0.060 0.000 0.756 239 V HN 0.740 nan 8.190 nan 0.000 0.467 240 A N -0.569 122.279 122.820 0.047 0.000 2.486 240 A HA 0.849 5.169 4.320 0.000 0.000 0.300 240 A C -1.113 176.482 177.584 0.018 0.000 1.048 240 A CA -0.412 51.666 52.037 0.069 0.000 0.696 240 A CB 2.393 21.495 19.000 0.170 0.000 1.278 240 A HN 0.392 nan 8.150 nan 0.000 0.405 241 V N 0.689 120.585 119.914 -0.030 0.000 3.159 241 V HA 0.909 5.029 4.120 0.000 0.000 0.308 241 V C -0.277 175.795 176.094 -0.036 0.000 1.190 241 V CA 0.306 62.578 62.300 -0.048 0.000 1.037 241 V CB 2.560 34.230 31.823 -0.255 0.000 1.060 241 V HN 1.727 nan 8.190 nan 0.000 0.437 242 S N 1.573 117.287 115.700 0.022 0.000 2.565 242 S HA 0.794 5.264 4.470 0.000 0.000 0.269 242 S C -1.696 172.955 174.600 0.086 0.000 1.153 242 S CA -0.362 57.863 58.200 0.040 0.000 0.835 242 S CB 2.233 65.464 63.200 0.051 0.000 1.122 242 S HN 1.000 nan 8.310 nan 0.000 0.462 243 D N -0.069 120.376 120.400 0.077 0.000 2.801 243 D HA 0.450 5.090 4.640 0.000 0.000 0.277 243 D C 1.117 177.460 176.300 0.071 0.000 1.125 243 D CA -0.041 54.015 54.000 0.092 0.000 1.102 243 D CB -0.380 40.484 40.800 0.106 0.000 1.400 243 D HN 0.446 nan 8.370 nan 0.000 0.601 244 T N -1.291 113.304 114.554 0.068 0.000 2.869 244 T HA -0.137 4.214 4.350 0.000 0.000 0.270 244 T C 1.023 175.753 174.700 0.051 0.000 1.082 244 T CA 1.345 63.478 62.100 0.055 0.000 1.123 244 T CB -0.320 68.580 68.868 0.052 0.000 0.856 244 T HN 0.439 nan 8.240 nan 0.000 0.499 245 K N 0.390 120.824 120.400 0.056 0.000 2.374 245 K HA 0.509 4.829 4.320 0.000 0.000 0.202 245 K C 0.757 177.391 176.600 0.056 0.000 1.040 245 K CA -0.129 56.191 56.287 0.054 0.000 1.085 245 K CB 1.438 33.972 32.500 0.058 0.000 0.873 245 K HN 0.379 nan 8.250 nan 0.000 0.539 246 G N 0.065 108.898 108.800 0.056 0.000 2.347 246 G HA2 0.296 4.257 3.960 0.000 0.000 0.321 246 G HA3 0.296 4.257 3.960 0.000 0.000 0.321 246 G C -1.034 173.896 174.900 0.050 0.000 1.412 246 G CA -0.703 44.428 45.100 0.052 0.000 0.990 246 G HN 0.138 nan 8.290 nan 0.000 0.637 247 G N -1.256 107.572 108.800 0.046 0.000 2.537 247 G HA2 0.937 4.897 3.960 0.000 0.000 0.323 247 G HA3 0.937 4.897 3.960 0.000 0.000 0.323 247 G C -0.382 174.544 174.900 0.044 0.000 1.207 247 G CA -0.279 44.844 45.100 0.039 0.000 0.976 247 G HN 1.722 nan 8.290 nan 0.000 0.487 248 I N -2.105 118.483 120.570 0.030 0.000 2.569 248 I HA 0.620 4.790 4.170 0.000 0.000 0.290 248 I C -1.468 174.688 176.117 0.065 0.000 1.088 248 I CA -1.273 60.050 61.300 0.038 0.000 1.047 248 I CB 2.303 40.300 38.000 -0.004 0.000 1.237 248 I HN 0.482 nan 8.210 nan 0.000 0.421 249 Y N 5.653 125.942 120.300 -0.017 0.000 2.446 249 Y HA 0.710 5.260 4.550 0.000 0.000 0.338 249 Y C -1.030 174.864 175.900 -0.010 0.000 1.055 249 Y CA -0.746 57.345 58.100 -0.016 0.000 1.101 249 Y CB 1.661 40.116 38.460 -0.009 0.000 1.221 249 Y HN 0.799 nan 8.280 nan 0.000 0.460 250 N N 6.907 124.800 118.700 -1.346 0.000 2.655 250 N HA 0.268 5.008 4.740 0.000 0.000 0.277 250 N C -2.698 172.286 175.510 -0.876 0.000 1.177 250 N CA -2.058 50.367 53.050 -1.041 0.000 0.882 250 N CB 2.004 40.251 38.487 -0.399 0.000 1.481 250 N HN 0.336 nan 8.380 nan 0.000 0.547 251 P HA -0.082 nan 4.420 nan 0.000 0.217 251 P C 0.012 177.250 177.300 -0.104 0.000 1.148 251 P CA 1.442 64.446 63.100 -0.161 0.000 0.834 251 P CB 0.346 32.078 31.700 0.052 0.000 0.783 252 D N -1.511 118.809 120.400 -0.133 0.000 2.355 252 D HA 0.299 4.940 4.640 0.000 0.000 0.218 252 D C 0.720 176.980 176.300 -0.067 0.000 1.004 252 D CA 0.850 54.806 54.000 -0.073 0.000 0.880 252 D CB -0.276 40.490 40.800 -0.057 0.000 0.911 252 D HN 0.177 nan 8.370 nan 0.000 0.528 253 G N 0.349 109.088 108.800 -0.102 0.000 3.190 253 G HA2 -0.149 3.812 3.960 0.000 0.000 0.686 253 G HA3 -0.149 3.812 3.960 0.000 0.000 0.686 253 G C -0.434 174.425 174.900 -0.068 0.000 1.033 253 G CA -0.933 44.123 45.100 -0.073 0.000 0.797 253 G HN 0.142 nan 8.290 nan 0.000 0.567 254 L N 1.686 122.860 121.223 -0.082 0.000 2.488 254 L HA 0.624 4.964 4.340 0.000 0.000 0.249 254 L C 0.867 177.703 176.870 -0.056 0.000 1.151 254 L CA -1.220 53.567 54.840 -0.089 0.000 0.806 254 L CB 0.827 42.775 42.059 -0.186 0.000 1.261 254 L HN 0.687 nan 8.230 nan 0.000 0.484 255 N N -0.179 118.482 118.700 -0.065 0.000 2.442 255 N HA 0.294 5.034 4.740 0.000 0.000 0.274 255 N C 0.167 175.669 175.510 -0.013 0.000 1.002 255 N CA -0.064 52.980 53.050 -0.010 0.000 0.910 255 N CB 2.097 40.602 38.487 0.030 0.000 1.244 255 N HN 0.727 nan 8.380 nan 0.000 0.492 256 A N 3.517 126.385 122.820 0.080 0.000 1.908 256 A HA -0.155 4.165 4.320 0.000 0.000 0.218 256 A C 1.470 179.254 177.584 0.335 0.000 1.181 256 A CA 1.484 53.685 52.037 0.274 0.000 0.627 256 A CB -0.217 18.944 19.000 0.268 0.000 0.818 256 A HN 0.731 nan 8.150 nan 0.000 0.445 257 D N -0.556 119.978 120.400 0.224 0.000 2.117 257 D HA -0.105 4.535 4.640 0.000 0.000 0.198 257 D C 1.978 178.328 176.300 0.083 0.000 0.982 257 D CA 1.283 55.376 54.000 0.155 0.000 0.828 257 D CB -0.296 40.575 40.800 0.118 0.000 0.967 257 D HN 0.634 nan 8.370 nan 0.000 0.464 258 E N 0.091 120.334 120.200 0.071 0.000 2.017 258 E HA -0.121 4.230 4.350 0.000 0.000 0.193 258 E C 2.289 178.884 176.600 -0.009 0.000 0.997 258 E CA 0.675 57.135 56.400 0.099 0.000 0.804 258 E CB 0.087 29.883 29.700 0.159 0.000 0.757 258 E HN 0.009 nan 8.360 nan 0.000 0.448 259 V N 1.622 121.325 119.914 -0.351 0.000 2.324 259 V HA -0.277 3.843 4.120 0.000 0.000 0.250 259 V C 2.394 178.408 176.094 -0.133 0.000 1.060 259 V CA 1.617 63.531 62.300 -0.644 0.000 1.042 259 V CB -0.502 30.850 31.823 -0.786 0.000 0.650 259 V HN 0.286 nan 8.190 nan 0.000 0.450 260 L N 0.940 122.197 121.223 0.057 0.000 2.012 260 L HA -0.150 4.190 4.340 0.000 0.000 0.210 260 L C 2.446 179.335 176.870 0.031 0.000 1.073 260 L CA 2.527 57.419 54.840 0.086 0.000 0.748 260 L CB -1.181 40.770 42.059 -0.180 0.000 0.891 260 L HN 0.232 nan 8.230 nan 0.000 0.431 261 A N -0.669 122.186 122.820 0.057 0.000 1.865 261 A HA -0.292 4.029 4.320 0.000 0.000 0.217 261 A C 2.294 179.963 177.584 0.141 0.000 1.191 261 A CA 1.865 53.951 52.037 0.082 0.000 0.623 261 A CB -1.614 17.456 19.000 0.116 0.000 0.826 261 A HN 0.792 nan 8.150 nan 0.000 0.444 262 W N 1.347 122.694 121.300 0.078 0.000 2.302 262 W HA -0.310 4.350 4.660 0.000 0.000 0.320 262 W C 2.159 178.717 176.519 0.064 0.000 1.241 262 W CA 2.817 60.242 57.345 0.132 0.000 1.264 262 W CB -0.306 29.361 29.460 0.345 0.000 1.154 262 W HN 0.459 nan 8.180 nan 0.000 0.483 263 K N 1.017 121.527 120.400 0.182 0.000 2.097 263 K HA -0.246 4.074 4.320 0.000 0.000 0.206 263 K C 2.237 178.824 176.600 -0.022 0.000 1.049 263 K CA 2.113 58.447 56.287 0.079 0.000 0.933 263 K CB -0.552 32.028 32.500 0.134 0.000 0.717 263 K HN 0.009 nan 8.250 nan 0.000 0.442 264 K N -0.133 120.254 120.400 -0.022 0.000 2.217 264 K HA -0.055 4.266 4.320 0.000 0.000 0.202 264 K C 1.518 178.066 176.600 -0.086 0.000 1.051 264 K CA 0.994 57.251 56.287 -0.050 0.000 0.952 264 K CB 0.262 32.733 32.500 -0.049 0.000 0.736 264 K HN -0.001 nan 8.250 nan 0.000 0.453 265 K N -0.835 119.484 120.400 -0.134 0.000 2.276 265 K HA 0.074 4.394 4.320 0.000 0.000 0.198 265 K C 1.676 178.110 176.600 -0.276 0.000 1.052 265 K CA 0.935 57.113 56.287 -0.182 0.000 0.984 265 K CB 0.348 32.734 32.500 -0.190 0.000 0.836 265 K HN 0.016 nan 8.250 nan 0.000 0.490 266 T N -0.944 113.364 114.554 -0.409 0.000 3.037 266 T HA 0.128 4.479 4.350 0.000 0.000 0.252 266 T C 1.090 175.656 174.700 -0.223 0.000 1.073 266 T CA 0.939 62.758 62.100 -0.468 0.000 1.091 266 T CB 0.421 68.705 68.868 -0.972 0.000 0.935 266 T HN 0.426 nan 8.240 nan 0.000 0.488 267 G N 0.910 109.621 108.800 -0.147 0.000 2.217 267 G HA2 -0.202 3.758 3.960 0.000 0.000 0.246 267 G HA3 -0.202 3.758 3.960 0.000 0.000 0.246 267 G C 0.303 175.204 174.900 0.002 0.000 0.990 267 G CA 0.314 45.381 45.100 -0.055 0.000 0.627 267 G HN 0.653 nan 8.290 nan 0.000 0.522 268 S N -1.863 113.851 115.700 0.024 0.000 2.618 268 S HA 0.599 5.069 4.470 0.000 0.000 0.277 268 S C 1.210 175.955 174.600 0.241 0.000 1.138 268 S CA 0.433 58.700 58.200 0.113 0.000 0.844 268 S CB 1.876 65.146 63.200 0.117 0.000 1.127 268 S HN 1.429 nan 8.310 nan 0.000 0.474 269 V N 0.650 120.683 119.914 0.197 0.000 2.951 269 V HA 0.348 4.468 4.120 0.000 0.000 0.255 269 V C 0.997 177.229 176.094 0.231 0.000 1.088 269 V CA 0.664 63.067 62.300 0.171 0.000 1.109 269 V CB -0.823 30.928 31.823 -0.119 0.000 0.724 269 V HN 0.729 nan 8.190 nan 0.000 0.471 270 K N 0.990 121.525 120.400 0.224 0.000 2.518 270 K HA -0.084 4.236 4.320 0.000 0.000 0.276 270 K C 0.446 177.236 176.600 0.317 0.000 0.974 270 K CA 1.124 57.532 56.287 0.201 0.000 0.986 270 K CB -0.070 32.527 32.500 0.162 0.000 0.901 270 K HN 0.577 nan 8.250 nan 0.000 0.497 271 D N 0.955 121.455 120.400 0.167 0.000 3.012 271 D HA -0.263 4.377 4.640 0.000 0.000 0.222 271 D C -0.392 175.792 176.300 -0.194 0.000 1.167 271 D CA 0.883 54.957 54.000 0.124 0.000 0.854 271 D CB -1.660 39.327 40.800 0.310 0.000 1.107 271 D HN 0.387 nan 8.370 nan 0.000 0.421 272 F N 2.100 121.714 119.950 -0.561 0.000 2.506 272 F HA 0.278 4.805 4.527 0.000 0.000 0.371 272 F C -1.740 173.608 175.800 -0.753 0.000 1.078 272 F CA -1.899 55.380 58.000 -1.201 0.000 1.195 272 F CB 0.614 39.121 39.000 -0.821 0.000 1.099 272 F HN -0.245 nan 8.300 nan 0.000 0.548 273 P HA 0.126 nan 4.420 nan 0.000 0.265 273 P C 0.619 177.455 177.300 -0.773 0.000 1.187 273 P CA 1.321 63.869 63.100 -0.921 0.000 0.766 273 P CB 0.680 31.879 31.700 -0.834 0.000 0.820 274 G N 1.017 109.576 108.800 -0.401 0.000 2.253 274 G HA2 -0.148 3.812 3.960 0.000 0.000 0.251 274 G HA3 -0.148 3.812 3.960 0.000 0.000 0.251 274 G C 0.268 175.069 174.900 -0.165 0.000 0.998 274 G CA 0.188 45.137 45.100 -0.253 0.000 0.621 274 G HN 0.914 nan 8.290 nan 0.000 0.524 275 A N -0.281 122.440 122.820 -0.165 0.000 2.337 275 A HA 0.836 5.156 4.320 0.000 0.000 0.331 275 A C 0.169 177.725 177.584 -0.047 0.000 1.137 275 A CA 0.529 52.525 52.037 -0.068 0.000 0.807 275 A CB 1.267 20.291 19.000 0.040 0.000 1.250 275 A HN 0.613 nan 8.150 nan 0.000 0.468 276 T N 2.246 116.800 114.554 0.001 0.000 2.856 276 T HA 0.264 4.614 4.350 0.000 0.000 0.292 276 T C 0.175 174.919 174.700 0.073 0.000 0.980 276 T CA -0.027 62.107 62.100 0.056 0.000 1.091 276 T CB 0.047 69.006 68.868 0.152 0.000 0.936 276 T HN 0.627 nan 8.240 nan 0.000 0.503 277 N N 3.129 121.862 118.700 0.054 0.000 2.529 277 N HA 0.525 5.266 4.740 0.000 0.000 0.278 277 N C -0.131 175.417 175.510 0.064 0.000 1.146 277 N CA -0.415 52.669 53.050 0.056 0.000 0.980 277 N CB 0.438 38.953 38.487 0.047 0.000 1.124 277 N HN 0.606 nan 8.380 nan 0.000 0.458 278 I N -3.104 117.503 120.570 0.062 0.000 3.279 278 I HA 0.586 4.756 4.170 0.000 0.000 0.315 278 I C -0.388 175.752 176.117 0.038 0.000 1.225 278 I CA -0.870 60.459 61.300 0.047 0.000 0.947 278 I CB 1.660 39.694 38.000 0.056 0.000 1.293 278 I HN 0.387 nan 8.210 nan 0.000 0.468 279 T N -0.081 114.488 114.554 0.025 0.000 2.849 279 T HA 0.345 4.695 4.350 0.000 0.000 0.276 279 T C 0.610 175.326 174.700 0.026 0.000 0.971 279 T CA -0.340 61.775 62.100 0.025 0.000 0.949 279 T CB 0.957 69.836 68.868 0.017 0.000 1.093 279 T HN 0.719 nan 8.240 nan 0.000 0.545 280 N N 0.451 119.167 118.700 0.027 0.000 2.109 280 N HA -0.070 4.670 4.740 0.000 0.000 0.188 280 N C 1.937 177.460 175.510 0.021 0.000 1.034 280 N CA 1.041 54.108 53.050 0.029 0.000 0.846 280 N CB -0.110 38.396 38.487 0.032 0.000 1.010 280 N HN 0.762 nan 8.380 nan 0.000 0.425 281 E N 0.762 120.971 120.200 0.016 0.000 2.118 281 E HA -0.282 4.068 4.350 0.000 0.000 0.195 281 E C 1.607 178.209 176.600 0.003 0.000 0.992 281 E CA 1.050 57.456 56.400 0.010 0.000 0.804 281 E CB -0.173 29.532 29.700 0.008 0.000 0.741 281 E HN 0.445 nan 8.360 nan 0.000 0.458 282 E N 1.483 121.683 120.200 0.000 0.000 2.049 282 E HA -0.216 4.135 4.350 0.000 0.000 0.198 282 E C 2.109 178.701 176.600 -0.015 0.000 1.007 282 E CA 1.100 57.491 56.400 -0.014 0.000 0.809 282 E CB -0.229 29.463 29.700 -0.013 0.000 0.749 282 E HN 0.274 nan 8.360 nan 0.000 0.450 283 L N 0.295 121.521 121.223 0.005 0.000 1.971 283 L HA -0.224 4.117 4.340 0.000 0.000 0.215 283 L C 2.300 179.177 176.870 0.012 0.000 1.072 283 L CA 1.660 56.510 54.840 0.017 0.000 0.758 283 L CB -0.335 41.745 42.059 0.035 0.000 0.889 283 L HN 0.283 nan 8.230 nan 0.000 0.433 284 L N -0.526 120.705 121.223 0.013 0.000 2.129 284 L HA -0.242 4.098 4.340 0.000 0.000 0.212 284 L C 2.030 178.903 176.870 0.004 0.000 1.087 284 L CA 1.517 56.364 54.840 0.012 0.000 0.757 284 L CB -0.833 41.234 42.059 0.013 0.000 0.896 284 L HN 0.466 nan 8.230 nan 0.000 0.434 285 E N -0.015 120.182 120.200 -0.005 0.000 2.465 285 E HA 0.155 4.506 4.350 0.000 0.000 0.191 285 E C 0.631 177.216 176.600 -0.025 0.000 1.053 285 E CA -0.278 56.114 56.400 -0.013 0.000 0.869 285 E CB 0.281 29.972 29.700 -0.015 0.000 0.977 285 E HN 0.438 nan 8.360 nan 0.000 0.483 286 L N 1.474 122.680 121.223 -0.028 0.000 2.473 286 L HA 0.020 4.360 4.340 0.000 0.000 0.265 286 L C 1.042 177.898 176.870 -0.024 0.000 1.243 286 L CA 0.338 55.151 54.840 -0.045 0.000 0.822 286 L CB 0.344 42.383 42.059 -0.034 0.000 1.101 286 L HN 0.023 nan 8.230 nan 0.000 0.507 287 E N 1.909 122.092 120.200 -0.028 0.000 2.136 287 E HA 0.269 4.619 4.350 0.000 0.000 0.246 287 E C -1.275 175.333 176.600 0.014 0.000 1.017 287 E CA -0.193 56.202 56.400 -0.008 0.000 0.883 287 E CB 0.574 30.265 29.700 -0.014 0.000 1.199 287 E HN 0.346 nan 8.360 nan 0.000 0.447 288 V N -0.387 119.539 119.914 0.020 0.000 3.046 288 V HA 0.372 4.492 4.120 0.000 0.000 0.316 288 V C 1.008 177.115 176.094 0.022 0.000 1.104 288 V CA -0.917 61.402 62.300 0.031 0.000 1.006 288 V CB 1.877 33.723 31.823 0.039 0.000 1.058 288 V HN 0.152 nan 8.190 nan 0.000 0.440 289 D N 0.747 121.160 120.400 0.022 0.000 2.075 289 D HA -0.006 4.634 4.640 0.000 0.000 0.196 289 D C 0.647 176.950 176.300 0.006 0.000 0.985 289 D CA 1.620 55.629 54.000 0.014 0.000 0.834 289 D CB 0.160 40.968 40.800 0.013 0.000 0.987 289 D HN 0.415 nan 8.370 nan 0.000 0.452 290 V N 1.077 120.992 119.914 0.000 0.000 2.581 290 V HA 0.374 4.494 4.120 0.000 0.000 0.303 290 V C -0.329 175.764 176.094 -0.001 0.000 1.041 290 V CA -0.905 61.388 62.300 -0.011 0.000 0.907 290 V CB 2.230 34.034 31.823 -0.032 0.000 0.994 290 V HN 0.019 nan 8.190 nan 0.000 0.442 291 L N 4.204 125.427 121.223 -0.001 0.000 2.343 291 L HA 0.866 5.206 4.340 0.000 0.000 0.278 291 L C 0.062 176.934 176.870 0.004 0.000 0.996 291 L CA -0.213 54.632 54.840 0.008 0.000 0.831 291 L CB 1.375 43.441 42.059 0.013 0.000 1.232 291 L HN 0.721 nan 8.230 nan 0.000 0.413 292 A N 6.922 129.747 122.820 0.008 0.000 2.690 292 A HA 0.684 5.004 4.320 0.000 0.000 0.342 292 A C -2.532 175.064 177.584 0.020 0.000 1.410 292 A CA -1.377 50.664 52.037 0.006 0.000 0.958 292 A CB -0.285 18.713 19.000 -0.004 0.000 1.153 292 A HN 0.537 nan 8.150 nan 0.000 0.497 293 P HA 0.103 nan 4.420 nan 0.000 0.271 293 P C 0.167 177.483 177.300 0.026 0.000 1.380 293 P CA 0.365 63.480 63.100 0.026 0.000 0.992 293 P CB 0.486 32.200 31.700 0.024 0.000 1.230 294 S N 1.877 117.596 115.700 0.032 0.000 2.499 294 S HA 0.620 5.090 4.470 0.000 0.000 0.238 294 S C 0.672 175.291 174.600 0.032 0.000 1.205 294 S CA -0.206 58.011 58.200 0.028 0.000 1.203 294 S CB 0.417 63.632 63.200 0.024 0.000 0.954 294 S HN 0.365 nan 8.310 nan 0.000 0.484 295 A N 1.767 124.606 122.820 0.030 0.000 1.761 295 A HA 0.757 5.077 4.320 0.000 0.000 0.168 295 A C 0.122 177.717 177.584 0.019 0.000 1.884 295 A CA -0.005 52.050 52.037 0.030 0.000 1.217 295 A CB -0.154 18.871 19.000 0.042 0.000 0.934 295 A HN 0.669 nan 8.150 nan 0.000 0.682 296 I N -1.140 119.442 120.570 0.019 0.000 3.170 296 I HA 0.668 4.838 4.170 0.000 0.000 0.312 296 I C -0.501 175.620 176.117 0.008 0.000 1.085 296 I CA -1.166 60.140 61.300 0.010 0.000 0.999 296 I CB 1.493 39.501 38.000 0.013 0.000 1.233 296 I HN 0.435 nan 8.210 nan 0.000 0.467 297 E N 0.148 120.347 120.200 -0.002 0.000 2.359 297 E HA 0.274 4.624 4.350 0.000 0.000 0.255 297 E C -0.966 175.635 176.600 0.003 0.000 1.191 297 E CA -0.826 55.572 56.400 -0.003 0.000 0.952 297 E CB 0.106 29.793 29.700 -0.022 0.000 1.152 297 E HN 0.611 nan 8.360 nan 0.000 0.496 298 E N -0.599 119.603 120.200 0.004 0.000 2.106 298 E HA -0.225 4.125 4.350 0.000 0.000 0.175 298 E C 0.536 177.143 176.600 0.010 0.000 1.448 298 E CA 0.473 56.877 56.400 0.007 0.000 0.672 298 E CB -1.746 27.955 29.700 0.002 0.000 1.057 298 E HN 0.476 nan 8.360 nan 0.000 0.321 299 V N -2.875 117.047 119.914 0.014 0.000 3.645 299 V HA 0.280 4.400 4.120 0.000 0.000 0.275 299 V C 0.812 176.916 176.094 0.016 0.000 1.356 299 V CA 0.075 62.385 62.300 0.016 0.000 1.051 299 V CB 0.169 32.003 31.823 0.019 0.000 0.828 299 V HN 0.343 nan 8.190 nan 0.000 0.441 300 I N 2.842 123.421 120.570 0.016 0.000 2.439 300 I HA 0.602 4.773 4.170 0.000 0.000 0.283 300 I C 0.068 176.195 176.117 0.017 0.000 1.023 300 I CA 0.019 61.329 61.300 0.017 0.000 1.100 300 I CB 1.765 39.776 38.000 0.019 0.000 1.238 300 I HN 0.351 nan 8.210 nan 0.000 0.445 301 T N 0.836 115.399 114.554 0.015 0.000 2.742 301 T HA 0.386 4.737 4.350 0.000 0.000 0.282 301 T C 0.896 175.604 174.700 0.014 0.000 1.025 301 T CA -0.864 61.244 62.100 0.014 0.000 1.020 301 T CB 1.770 70.645 68.868 0.012 0.000 1.317 301 T HN 0.618 nan 8.240 nan 0.000 0.538 302 K N 0.858 121.266 120.400 0.013 0.000 2.063 302 K HA -0.109 4.211 4.320 0.000 0.000 0.208 302 K C 1.853 178.460 176.600 0.011 0.000 1.048 302 K CA 1.113 57.408 56.287 0.013 0.000 0.928 302 K CB -0.411 32.096 32.500 0.012 0.000 0.713 302 K HN 0.520 nan 8.250 nan 0.000 0.442 303 K N 1.327 121.733 120.400 0.010 0.000 1.990 303 K HA -0.214 4.106 4.320 0.000 0.000 0.225 303 K C 2.077 178.682 176.600 0.008 0.000 1.053 303 K CA 2.236 58.528 56.287 0.008 0.000 0.982 303 K CB -0.600 31.905 32.500 0.008 0.000 0.734 303 K HN 0.454 nan 8.250 nan 0.000 0.448 304 N N 1.003 119.709 118.700 0.009 0.000 2.376 304 N HA -0.034 4.706 4.740 0.000 0.000 0.177 304 N C 1.707 177.223 175.510 0.011 0.000 1.024 304 N CA 1.217 54.272 53.050 0.009 0.000 0.893 304 N CB -0.458 38.034 38.487 0.009 0.000 0.980 304 N HN 0.205 nan 8.380 nan 0.000 0.439 305 A N 1.656 124.484 122.820 0.014 0.000 1.944 305 A HA -0.297 4.023 4.320 0.000 0.000 0.222 305 A C 1.913 179.506 177.584 0.016 0.000 1.237 305 A CA 2.232 54.280 52.037 0.017 0.000 0.668 305 A CB -1.174 17.839 19.000 0.021 0.000 0.830 305 A HN 0.343 nan 8.150 nan 0.000 0.471 306 D N -0.671 119.737 120.400 0.013 0.000 2.311 306 D HA -0.116 4.524 4.640 0.000 0.000 0.212 306 D C 1.222 177.527 176.300 0.008 0.000 0.972 306 D CA 1.135 55.141 54.000 0.011 0.000 0.887 306 D CB -0.148 40.657 40.800 0.008 0.000 0.915 306 D HN 0.566 nan 8.370 nan 0.000 0.497 307 N N 0.038 118.742 118.700 0.007 0.000 2.368 307 N HA -0.017 4.723 4.740 0.000 0.000 0.178 307 N C 0.569 176.081 175.510 0.004 0.000 1.076 307 N CA -0.160 52.892 53.050 0.003 0.000 0.889 307 N CB 0.742 39.228 38.487 -0.000 0.000 1.040 307 N HN 0.121 nan 8.380 nan 0.000 0.463 308 I N 2.663 123.238 120.570 0.008 0.000 2.943 308 I HA -0.131 4.039 4.170 0.000 0.000 0.296 308 I C 0.945 177.069 176.117 0.010 0.000 1.220 308 I CA 0.779 62.085 61.300 0.010 0.000 1.409 308 I CB -0.323 37.686 38.000 0.015 0.000 1.374 308 I HN 0.049 nan 8.210 nan 0.000 0.545 309 K N 4.833 125.238 120.400 0.007 0.000 2.514 309 K HA 0.482 4.802 4.320 0.000 0.000 0.207 309 K C 0.405 177.012 176.600 0.012 0.000 1.035 309 K CA -0.286 56.006 56.287 0.008 0.000 1.113 309 K CB 0.626 33.128 32.500 0.002 0.000 0.846 309 K HN 0.602 nan 8.250 nan 0.000 0.491 310 A N 1.112 123.941 122.820 0.014 0.000 2.302 310 A HA 0.274 4.594 4.320 0.000 0.000 0.285 310 A C 0.573 178.168 177.584 0.019 0.000 1.105 310 A CA -0.449 51.597 52.037 0.015 0.000 0.816 310 A CB 0.750 19.757 19.000 0.012 0.000 1.067 310 A HN 0.018 nan 8.150 nan 0.000 0.489 311 K N 0.440 120.851 120.400 0.018 0.000 2.098 311 K HA 0.218 4.538 4.320 0.000 0.000 0.203 311 K C 0.301 176.914 176.600 0.022 0.000 1.051 311 K CA 1.250 57.551 56.287 0.024 0.000 0.957 311 K CB 0.041 32.554 32.500 0.021 0.000 0.738 311 K HN 0.685 nan 8.250 nan 0.000 0.447 312 I N 1.152 121.726 120.570 0.007 0.000 2.433 312 I HA 0.233 4.403 4.170 0.000 0.000 0.292 312 I C -0.778 175.335 176.117 -0.007 0.000 1.001 312 I CA -0.987 60.310 61.300 -0.005 0.000 1.119 312 I CB 2.112 40.093 38.000 -0.032 0.000 1.289 312 I HN -0.364 nan 8.210 nan 0.000 0.438 313 V N 5.501 125.412 119.914 -0.005 0.000 2.293 313 V HA 0.386 4.506 4.120 0.000 0.000 0.275 313 V C 0.584 176.671 176.094 -0.012 0.000 1.021 313 V CA -0.510 61.788 62.300 -0.003 0.000 0.815 313 V CB 1.389 33.215 31.823 0.005 0.000 1.025 313 V HN 0.860 nan 8.190 nan 0.000 0.448 314 A N 4.651 127.459 122.820 -0.020 0.000 2.415 314 A HA 0.427 4.747 4.320 0.000 0.000 0.309 314 A C 0.435 178.013 177.584 -0.011 0.000 1.356 314 A CA -0.405 51.614 52.037 -0.029 0.000 0.998 314 A CB -0.158 18.809 19.000 -0.055 0.000 1.145 314 A HN 0.827 nan 8.150 nan 0.000 0.545 315 E N 3.179 123.379 120.200 0.001 0.000 1.858 315 E HA 0.137 4.487 4.350 0.000 0.000 0.267 315 E C -0.009 176.605 176.600 0.022 0.000 1.215 315 E CA -0.219 56.193 56.400 0.020 0.000 0.952 315 E CB 0.378 30.104 29.700 0.042 0.000 1.058 315 E HN 0.642 nan 8.360 nan 0.000 0.407 316 L N 1.946 123.177 121.223 0.014 0.000 2.270 316 L HA 0.058 4.398 4.340 0.000 0.000 0.210 316 L C 0.994 177.877 176.870 0.021 0.000 1.104 316 L CA 0.777 55.624 54.840 0.011 0.000 0.804 316 L CB 0.057 42.117 42.059 0.001 0.000 0.937 316 L HN 0.393 nan 8.230 nan 0.000 0.450 317 A N -1.161 121.674 122.820 0.025 0.000 2.248 317 A HA 0.498 4.818 4.320 0.000 0.000 0.316 317 A C -0.258 177.346 177.584 0.033 0.000 1.101 317 A CA -0.609 51.441 52.037 0.022 0.000 0.875 317 A CB 0.302 19.312 19.000 0.016 0.000 1.207 317 A HN 0.113 nan 8.150 nan 0.000 0.504 318 N N 0.013 118.723 118.700 0.015 0.000 2.434 318 N HA 0.438 5.178 4.740 0.000 0.000 0.272 318 N C 0.728 176.239 175.510 0.001 0.000 1.040 318 N CA 1.109 54.168 53.050 0.016 0.000 0.956 318 N CB 1.237 39.703 38.487 -0.035 0.000 1.108 318 N HN 1.304 nan 8.380 nan 0.000 0.481 319 G N 3.326 112.147 108.800 0.035 0.000 2.176 319 G HA2 -0.198 3.762 3.960 0.000 0.000 0.252 319 G HA3 -0.198 3.762 3.960 0.000 0.000 0.252 319 G C -1.080 173.833 174.900 0.023 0.000 1.024 319 G CA 0.036 45.152 45.100 0.026 0.000 0.755 319 G HN 0.527 nan 8.290 nan 0.000 0.507 320 P HA -0.045 nan 4.420 nan 0.000 0.218 320 P C 0.925 178.240 177.300 0.025 0.000 1.148 320 P CA 1.504 64.618 63.100 0.024 0.000 0.822 320 P CB 0.021 31.738 31.700 0.027 0.000 0.784 321 T N 0.418 114.993 114.554 0.035 0.000 2.928 321 T HA 0.441 4.791 4.350 0.000 0.000 0.284 321 T C 0.220 174.940 174.700 0.033 0.000 1.008 321 T CA -0.333 61.786 62.100 0.032 0.000 1.057 321 T CB 1.279 70.166 68.868 0.032 0.000 1.018 321 T HN 0.120 nan 8.240 nan 0.000 0.493 322 T N -0.202 114.368 114.554 0.026 0.000 2.885 322 T HA 0.447 4.797 4.350 0.000 0.000 0.285 322 T C -2.189 172.524 174.700 0.022 0.000 1.019 322 T CA -2.287 59.827 62.100 0.024 0.000 1.010 322 T CB 1.588 70.466 68.868 0.018 0.000 1.022 322 T HN 0.109 nan 8.240 nan 0.000 0.466 323 P HA -0.298 nan 4.420 nan 0.000 0.221 323 P C 1.605 178.915 177.300 0.017 0.000 1.160 323 P CA 1.691 64.799 63.100 0.013 0.000 0.933 323 P CB 0.050 31.756 31.700 0.010 0.000 0.793 324 E N -0.331 119.880 120.200 0.018 0.000 2.033 324 E HA -0.239 4.111 4.350 0.000 0.000 0.199 324 E C 2.140 178.756 176.600 0.027 0.000 1.011 324 E CA 1.776 58.189 56.400 0.022 0.000 0.815 324 E CB -1.272 28.438 29.700 0.017 0.000 0.755 324 E HN 0.219 nan 8.360 nan 0.000 0.451 325 A N 1.916 124.750 122.820 0.024 0.000 2.024 325 A HA -0.227 4.093 4.320 0.000 0.000 0.220 325 A C 1.827 179.430 177.584 0.032 0.000 1.164 325 A CA 1.829 53.882 52.037 0.026 0.000 0.643 325 A CB -0.425 18.589 19.000 0.023 0.000 0.806 325 A HN 0.110 nan 8.150 nan 0.000 0.451 326 D N -0.103 120.313 120.400 0.027 0.000 2.087 326 D HA -0.148 4.492 4.640 0.000 0.000 0.192 326 D C 2.008 178.341 176.300 0.055 0.000 0.993 326 D CA 1.741 55.752 54.000 0.019 0.000 0.828 326 D CB -0.380 40.417 40.800 -0.005 0.000 0.968 326 D HN 0.667 nan 8.370 nan 0.000 0.448 327 E N 0.553 120.795 120.200 0.069 0.000 2.038 327 E HA -0.151 4.199 4.350 0.000 0.000 0.195 327 E C 2.418 179.095 176.600 0.127 0.000 1.000 327 E CA 0.882 57.355 56.400 0.122 0.000 0.803 327 E CB -0.189 29.564 29.700 0.088 0.000 0.750 327 E HN 0.360 nan 8.360 nan 0.000 0.448 328 I N 0.944 121.560 120.570 0.077 0.000 2.151 328 I HA -0.300 3.870 4.170 0.000 0.000 0.243 328 I C 2.475 178.635 176.117 0.073 0.000 1.080 328 I CA 1.367 62.702 61.300 0.059 0.000 1.339 328 I CB -0.786 37.237 38.000 0.039 0.000 1.039 328 I HN 0.108 nan 8.210 nan 0.000 0.409 329 L N -0.543 120.729 121.223 0.082 0.000 2.191 329 L HA -0.229 4.111 4.340 0.000 0.000 0.212 329 L C 2.728 179.689 176.870 0.151 0.000 1.103 329 L CA 1.128 56.020 54.840 0.086 0.000 0.769 329 L CB -0.719 41.377 42.059 0.061 0.000 0.908 329 L HN 0.235 nan 8.230 nan 0.000 0.438 330 Y N 1.320 121.621 120.300 0.001 0.000 2.092 330 Y HA -0.232 4.318 4.550 0.000 0.000 0.282 330 Y C 2.448 178.357 175.900 0.015 0.000 1.126 330 Y CA 1.577 59.680 58.100 0.005 0.000 1.111 330 Y CB -0.569 37.891 38.460 0.001 0.000 0.987 330 Y HN 0.151 nan 8.280 nan 0.000 0.489 331 E N 0.177 120.368 120.200 -0.014 0.000 2.086 331 E HA -0.257 4.093 4.350 0.000 0.000 0.200 331 E C 2.116 178.677 176.600 -0.064 0.000 1.012 331 E CA 1.889 58.207 56.400 -0.136 0.000 0.812 331 E CB -0.177 29.491 29.700 -0.055 0.000 0.743 331 E HN 0.393 nan 8.360 nan 0.000 0.453 332 K N -0.973 119.429 120.400 0.004 0.000 2.280 332 K HA -0.095 4.225 4.320 0.000 0.000 0.202 332 K C 1.152 177.764 176.600 0.020 0.000 1.047 332 K CA 0.802 57.097 56.287 0.013 0.000 0.942 332 K CB 0.072 32.590 32.500 0.029 0.000 0.739 332 K HN 0.358 nan 8.250 nan 0.000 0.457 333 G N 1.355 110.177 108.800 0.037 0.000 2.131 333 G HA2 -0.221 3.740 3.960 0.000 0.000 0.223 333 G HA3 -0.221 3.740 3.960 0.000 0.000 0.223 333 G C 0.002 174.960 174.900 0.096 0.000 0.990 333 G CA -0.273 44.864 45.100 0.060 0.000 0.671 333 G HN 0.187 nan 8.290 nan 0.000 0.521 334 I N 0.856 121.488 120.570 0.102 0.000 2.365 334 I HA 0.437 4.607 4.170 0.000 0.000 0.291 334 I C 0.593 176.761 176.117 0.085 0.000 1.004 334 I CA -1.119 60.231 61.300 0.082 0.000 1.311 334 I CB 1.352 39.386 38.000 0.056 0.000 1.401 334 I HN 0.063 nan 8.210 nan 0.000 0.491 335 L N 8.414 129.679 121.223 0.070 0.000 2.361 335 L HA 0.378 4.718 4.340 0.000 0.000 0.278 335 L C -0.439 176.436 176.870 0.009 0.000 1.113 335 L CA 0.522 55.389 54.840 0.046 0.000 0.849 335 L CB -0.104 42.003 42.059 0.080 0.000 1.155 335 L HN 0.414 nan 8.230 nan 0.000 0.452 336 I N 6.582 127.132 120.570 -0.033 0.000 2.406 336 I HA 0.295 4.465 4.170 0.000 0.000 0.290 336 I C -0.347 175.744 176.117 -0.045 0.000 0.999 336 I CA -0.576 60.702 61.300 -0.036 0.000 1.124 336 I CB 1.804 39.773 38.000 -0.050 0.000 1.289 336 I HN 0.520 nan 8.210 nan 0.000 0.441 337 I N 8.793 129.353 120.570 -0.016 0.000 2.268 337 I HA 0.224 4.394 4.170 0.000 0.000 0.290 337 I C -2.121 173.980 176.117 -0.027 0.000 1.125 337 I CA -1.768 59.529 61.300 -0.005 0.000 1.236 337 I CB 0.183 38.187 38.000 0.006 0.000 1.469 337 I HN 0.206 nan 8.210 nan 0.000 0.512 338 P HA -0.141 nan 4.420 nan 0.000 0.269 338 P C 0.196 177.499 177.300 0.006 0.000 1.185 338 P CA 0.261 63.349 63.100 -0.021 0.000 0.769 338 P CB 0.505 32.139 31.700 -0.110 0.000 0.809 339 D N 3.108 123.585 120.400 0.128 0.000 2.078 339 D HA -0.243 4.397 4.640 0.000 0.000 0.193 339 D C 1.603 178.013 176.300 0.182 0.000 0.990 339 D CA 1.626 55.718 54.000 0.154 0.000 0.827 339 D CB -1.621 39.307 40.800 0.212 0.000 0.975 339 D HN 0.545 nan 8.370 nan 0.000 0.451 340 F N 0.263 120.306 119.950 0.155 0.000 2.529 340 F HA 0.033 4.560 4.527 0.000 0.000 0.297 340 F C 1.740 177.590 175.800 0.082 0.000 1.114 340 F CA 0.416 58.502 58.000 0.143 0.000 1.467 340 F CB -0.230 38.891 39.000 0.202 0.000 1.096 340 F HN 0.082 nan 8.300 nan 0.000 0.586 341 L N -0.502 120.594 121.223 -0.211 0.000 2.445 341 L HA 0.186 4.526 4.340 0.000 0.000 0.207 341 L C 2.198 179.044 176.870 -0.040 0.000 1.053 341 L CA 1.111 55.841 54.840 -0.183 0.000 0.841 341 L CB -0.933 40.954 42.059 -0.288 0.000 1.074 341 L HN 0.262 nan 8.230 nan 0.000 0.479 342 C N 2.068 121.355 119.300 -0.023 0.000 2.429 342 C HA -0.056 4.404 4.460 0.000 0.000 0.277 342 C C 1.928 176.923 174.990 0.007 0.000 1.262 342 C CA 1.170 60.184 59.018 -0.006 0.000 1.733 342 C CB -1.449 26.286 27.740 -0.008 0.000 2.010 342 C HN 0.873 nan 8.230 nan 0.000 0.483 343 N N 0.216 118.938 118.700 0.036 0.000 2.451 343 N HA 0.349 5.089 4.740 0.000 0.000 0.264 343 N C 0.207 175.743 175.510 0.044 0.000 1.167 343 N CA 0.672 53.742 53.050 0.033 0.000 0.898 343 N CB -0.071 38.442 38.487 0.044 0.000 1.176 343 N HN 0.381 nan 8.380 nan 0.000 0.507 344 A N -0.921 121.924 122.820 0.043 0.000 2.308 344 A HA 0.422 4.742 4.320 0.000 0.000 0.217 344 A C 1.920 179.513 177.584 0.015 0.000 1.216 344 A CA 0.135 52.198 52.037 0.044 0.000 0.864 344 A CB -0.510 18.526 19.000 0.060 0.000 0.902 344 A HN 0.419 nan 8.150 nan 0.000 0.499 345 G N 0.119 108.927 108.800 0.012 0.000 2.448 345 G HA2 0.047 4.008 3.960 0.000 0.000 0.219 345 G HA3 0.047 4.008 3.960 0.000 0.000 0.219 345 G C 1.367 176.247 174.900 -0.033 0.000 1.127 345 G CA 1.140 46.241 45.100 0.002 0.000 0.766 345 G HN 0.568 nan 8.290 nan 0.000 0.552 346 G N 0.454 109.239 108.800 -0.025 0.000 2.511 346 G HA2 -0.219 3.741 3.960 0.000 0.000 0.216 346 G HA3 -0.219 3.741 3.960 0.000 0.000 0.216 346 G C 1.765 176.639 174.900 -0.043 0.000 1.218 346 G CA 1.208 46.287 45.100 -0.035 0.000 0.788 346 G HN 0.351 nan 8.290 nan 0.000 0.560 347 V N 0.818 120.715 119.914 -0.028 0.000 2.469 347 V HA -0.165 3.955 4.120 0.000 0.000 0.251 347 V C 3.017 179.096 176.094 -0.024 0.000 1.064 347 V CA 2.958 65.244 62.300 -0.022 0.000 1.066 347 V CB -0.728 31.092 31.823 -0.005 0.000 0.667 347 V HN 0.437 nan 8.190 nan 0.000 0.461 348 T N -0.379 114.123 114.554 -0.087 0.000 2.708 348 T HA -0.161 4.189 4.350 0.000 0.000 0.266 348 T C 1.837 176.232 174.700 -0.510 0.000 1.037 348 T CA 1.801 63.764 62.100 -0.228 0.000 1.146 348 T CB -0.225 68.499 68.868 -0.239 0.000 0.865 348 T HN 0.374 nan 8.240 nan 0.000 0.435 349 V N 1.008 120.696 119.914 -0.377 0.000 2.427 349 V HA -0.138 3.982 4.120 0.000 0.000 0.248 349 V C 2.690 178.743 176.094 -0.069 0.000 1.051 349 V CA 1.636 63.769 62.300 -0.278 0.000 1.048 349 V CB -0.631 31.160 31.823 -0.054 0.000 0.666 349 V HN 0.439 nan 8.190 nan 0.000 0.456 350 S N -1.237 114.448 115.700 -0.025 0.000 2.383 350 S HA -0.248 4.222 4.470 0.000 0.000 0.229 350 S C 1.908 176.612 174.600 0.174 0.000 1.030 350 S CA 2.051 60.279 58.200 0.046 0.000 1.002 350 S CB -0.345 62.859 63.200 0.006 0.000 0.829 350 S HN 0.777 nan 8.310 nan 0.000 0.467 351 Y N 0.785 121.140 120.300 0.091 0.000 2.263 351 Y HA 0.011 4.562 4.550 0.000 0.000 0.292 351 Y C 1.632 177.792 175.900 0.434 0.000 1.130 351 Y CA 1.243 59.525 58.100 0.304 0.000 1.179 351 Y CB -0.605 37.997 38.460 0.236 0.000 0.998 351 Y HN 0.220 nan 8.280 nan 0.000 0.532 352 F N 1.563 121.509 119.950 -0.007 0.000 2.202 352 F HA -0.155 4.373 4.527 0.000 0.000 0.301 352 F C 2.539 178.110 175.800 -0.382 0.000 1.082 352 F CA 1.405 59.271 58.000 -0.223 0.000 1.313 352 F CB -1.189 37.776 39.000 -0.058 0.000 1.024 352 F HN 0.384 nan 8.300 nan 0.000 0.495 353 E N -0.696 119.519 120.200 0.026 0.000 2.072 353 E HA -0.251 4.099 4.350 0.000 0.000 0.190 353 E C 2.319 178.921 176.600 0.003 0.000 0.982 353 E CA 1.234 57.611 56.400 -0.039 0.000 0.803 353 E CB -0.629 29.090 29.700 0.031 0.000 0.755 353 E HN 0.384 nan 8.360 nan 0.000 0.453 354 W N 1.212 122.463 121.300 -0.081 0.000 2.333 354 W HA -0.267 4.393 4.660 0.000 0.000 0.316 354 W C 1.978 178.437 176.519 -0.100 0.000 1.215 354 W CA 2.076 59.400 57.345 -0.035 0.000 1.278 354 W CB -0.637 28.885 29.460 0.104 0.000 1.154 354 W HN -0.057 nan 8.180 nan 0.000 0.486 355 V N 1.283 121.122 119.914 -0.126 0.000 2.278 355 V HA -0.438 3.682 4.120 0.000 0.000 0.251 355 V C 2.395 178.267 176.094 -0.371 0.000 1.062 355 V CA 2.639 64.732 62.300 -0.344 0.000 1.038 355 V CB -1.265 30.477 31.823 -0.135 0.000 0.646 355 V HN 0.371 nan 8.190 nan 0.000 0.447 356 Q N -0.543 118.964 119.800 -0.488 0.000 2.170 356 Q HA -0.205 4.136 4.340 0.000 0.000 0.203 356 Q C 2.083 177.696 176.000 -0.644 0.000 0.976 356 Q CA 1.817 57.188 55.803 -0.720 0.000 0.858 356 Q CB -0.272 27.875 28.738 -0.986 0.000 0.907 356 Q HN 0.768 nan 8.270 nan 0.000 0.433 357 N N 0.494 118.987 118.700 -0.345 0.000 2.171 357 N HA -0.071 4.669 4.740 0.000 0.000 0.184 357 N C 2.025 177.415 175.510 -0.200 0.000 1.021 357 N CA 1.031 54.009 53.050 -0.121 0.000 0.854 357 N CB -0.063 38.450 38.487 0.045 0.000 0.994 357 N HN 0.323 nan 8.380 nan 0.000 0.426 358 I N -0.568 119.787 120.570 -0.359 0.000 2.617 358 I HA -0.036 4.134 4.170 0.000 0.000 0.256 358 I C 2.043 178.023 176.117 -0.227 0.000 1.167 358 I CA 1.106 62.202 61.300 -0.341 0.000 1.469 358 I CB -0.589 37.084 38.000 -0.544 0.000 1.098 358 I HN 0.048 nan 8.210 nan 0.000 0.436 359 T N -1.983 112.427 114.554 -0.241 0.000 3.043 359 T HA 0.296 4.646 4.350 0.000 0.000 0.263 359 T C 1.758 176.380 174.700 -0.130 0.000 1.094 359 T CA 0.675 62.683 62.100 -0.153 0.000 1.127 359 T CB -0.060 68.741 68.868 -0.112 0.000 0.905 359 T HN 0.699 nan 8.240 nan 0.000 0.490 360 G N 1.250 109.939 108.800 -0.185 0.000 2.184 360 G HA2 -0.234 3.726 3.960 0.000 0.000 0.264 360 G HA3 -0.234 3.726 3.960 0.000 0.000 0.264 360 G C -0.238 174.605 174.900 -0.095 0.000 0.975 360 G CA 0.194 45.241 45.100 -0.087 0.000 0.642 360 G HN 0.787 nan 8.290 nan 0.000 0.536 361 D N -0.103 120.155 120.400 -0.237 0.000 2.256 361 D HA 0.584 5.224 4.640 0.000 0.000 0.240 361 D C -0.399 175.719 176.300 -0.302 0.000 1.062 361 D CA -0.612 53.326 54.000 -0.103 0.000 0.832 361 D CB 0.404 41.227 40.800 0.037 0.000 1.135 361 D HN 0.165 nan 8.370 nan 0.000 0.484 362 Y N 2.550 122.908 120.300 0.097 0.000 2.330 362 Y HA 0.431 4.981 4.550 0.000 0.000 0.336 362 Y C -0.037 176.001 175.900 0.230 0.000 1.036 362 Y CA -0.808 57.315 58.100 0.039 0.000 1.125 362 Y CB 0.859 39.316 38.460 -0.006 0.000 1.194 362 Y HN 0.263 nan 8.280 nan 0.000 0.469 363 W N 1.272 122.619 121.300 0.078 0.000 2.415 363 W HA 0.493 5.153 4.660 0.000 0.000 0.355 363 W C 0.291 176.844 176.519 0.055 0.000 1.161 363 W CA -1.674 55.688 57.345 0.028 0.000 1.315 363 W CB 0.239 29.674 29.460 -0.041 0.000 1.261 363 W HN 0.482 nan 8.180 nan 0.000 0.636 364 T N -1.739 112.986 114.554 0.285 0.000 2.816 364 T HA 0.265 4.615 4.350 0.000 0.000 0.282 364 T C 1.132 175.943 174.700 0.184 0.000 0.993 364 T CA -0.007 62.200 62.100 0.177 0.000 0.994 364 T CB 0.965 69.901 68.868 0.114 0.000 1.025 364 T HN 0.375 nan 8.240 nan 0.000 0.529 365 V N -0.039 119.956 119.914 0.134 0.000 2.295 365 V HA -0.094 4.027 4.120 0.000 0.000 0.246 365 V C 2.383 178.557 176.094 0.134 0.000 1.049 365 V CA 1.831 64.210 62.300 0.132 0.000 1.024 365 V CB -1.577 30.304 31.823 0.098 0.000 0.648 365 V HN 0.878 nan 8.190 nan 0.000 0.447 366 E N 1.153 121.414 120.200 0.101 0.000 2.033 366 E HA -0.239 4.111 4.350 0.000 0.000 0.199 366 E C 2.147 178.790 176.600 0.071 0.000 1.011 366 E CA 2.009 58.457 56.400 0.079 0.000 0.815 366 E CB -0.615 29.116 29.700 0.052 0.000 0.755 366 E HN 0.759 nan 8.360 nan 0.000 0.451 367 E N -0.010 120.225 120.200 0.058 0.000 2.086 367 E HA -0.221 4.129 4.350 0.000 0.000 0.200 367 E C 2.088 178.714 176.600 0.044 0.000 1.012 367 E CA 1.870 58.267 56.400 -0.004 0.000 0.812 367 E CB -0.261 29.429 29.700 -0.017 0.000 0.743 367 E HN 0.304 nan 8.360 nan 0.000 0.453 368 T N 0.245 114.922 114.554 0.205 0.000 2.867 368 T HA -0.089 4.261 4.350 0.000 0.000 0.268 368 T C 1.804 176.663 174.700 0.266 0.000 1.057 368 T CA 0.952 63.225 62.100 0.288 0.000 1.136 368 T CB -0.075 69.006 68.868 0.355 0.000 0.874 368 T HN 0.056 nan 8.240 nan 0.000 0.466 369 R N 0.713 121.339 120.500 0.210 0.000 2.093 369 R HA 0.225 4.566 4.340 0.000 0.000 0.224 369 R C 2.734 179.132 176.300 0.163 0.000 1.101 369 R CA 0.958 57.200 56.100 0.238 0.000 0.979 369 R CB -0.384 30.044 30.300 0.214 0.000 0.877 369 R HN 0.361 nan 8.270 nan 0.000 0.441 370 A N 1.336 124.201 122.820 0.075 0.000 1.877 370 A HA -0.188 4.132 4.320 0.000 0.000 0.216 370 A C 1.745 179.325 177.584 -0.005 0.000 1.186 370 A CA 1.422 53.458 52.037 -0.001 0.000 0.620 370 A CB -0.271 18.708 19.000 -0.036 0.000 0.822 370 A HN 0.169 nan 8.150 nan 0.000 0.443 371 K N -0.908 119.481 120.400 -0.019 0.000 2.148 371 K HA -0.079 4.242 4.320 0.000 0.000 0.204 371 K C 1.875 178.662 176.600 0.312 0.000 1.050 371 K CA 1.210 57.474 56.287 -0.037 0.000 0.942 371 K CB -0.342 31.888 32.500 -0.449 0.000 0.724 371 K HN 0.429 nan 8.250 nan 0.000 0.446 372 L N 1.899 123.409 121.223 0.479 0.000 2.072 372 L HA -0.158 4.182 4.340 0.000 0.000 0.205 372 L C 2.072 179.056 176.870 0.190 0.000 1.079 372 L CA 1.830 56.991 54.840 0.536 0.000 0.752 372 L CB -0.486 41.889 42.059 0.526 0.000 0.906 372 L HN 0.104 nan 8.230 nan 0.000 0.436 373 D N -0.058 120.281 120.400 -0.101 0.000 2.087 373 D HA -0.255 4.385 4.640 0.000 0.000 0.192 373 D C 2.043 178.248 176.300 -0.159 0.000 0.993 373 D CA 1.760 55.447 54.000 -0.521 0.000 0.828 373 D CB -0.016 40.387 40.800 -0.663 0.000 0.968 373 D HN 0.342 nan 8.370 nan 0.000 0.448 374 K N 0.069 120.441 120.400 -0.047 0.000 2.052 374 K HA -0.201 4.119 4.320 0.000 0.000 0.215 374 K C 2.321 178.974 176.600 0.089 0.000 1.053 374 K CA 1.435 57.740 56.287 0.030 0.000 0.934 374 K CB -0.093 32.433 32.500 0.045 0.000 0.717 374 K HN 0.089 nan 8.250 nan 0.000 0.450 375 K N 0.004 120.491 120.400 0.145 0.000 2.063 375 K HA -0.108 4.212 4.320 0.000 0.000 0.208 375 K C 2.126 178.804 176.600 0.129 0.000 1.048 375 K CA 1.251 57.637 56.287 0.164 0.000 0.928 375 K CB -0.071 32.576 32.500 0.244 0.000 0.713 375 K HN 0.181 nan 8.250 nan 0.000 0.442 376 M N 0.035 119.709 119.600 0.123 0.000 2.160 376 M HA -0.062 4.418 4.480 0.000 0.000 0.264 376 M C 2.206 178.586 176.300 0.133 0.000 1.073 376 M CA 1.443 56.817 55.300 0.124 0.000 1.142 376 M CB -1.463 31.236 32.600 0.165 0.000 1.358 376 M HN 0.016 nan 8.290 nan 0.000 0.422 377 T N 0.832 115.456 114.554 0.116 0.000 2.685 377 T HA -0.206 4.144 4.350 0.000 0.000 0.268 377 T C 2.003 176.898 174.700 0.325 0.000 1.034 377 T CA 1.523 63.738 62.100 0.191 0.000 1.149 377 T CB -0.094 68.866 68.868 0.154 0.000 0.860 377 T HN 0.306 nan 8.240 nan 0.000 0.449 378 K N 0.591 121.133 120.400 0.237 0.000 2.044 378 K HA 0.107 4.428 4.320 0.000 0.000 0.204 378 K C 2.634 179.359 176.600 0.207 0.000 1.049 378 K CA 1.007 57.439 56.287 0.242 0.000 0.945 378 K CB -0.312 32.280 32.500 0.154 0.000 0.724 378 K HN 0.286 nan 8.250 nan 0.000 0.440 379 A N 0.983 123.891 122.820 0.147 0.000 1.978 379 A HA -0.202 4.118 4.320 0.000 0.000 0.220 379 A C 1.955 179.572 177.584 0.056 0.000 1.170 379 A CA 1.346 53.436 52.037 0.088 0.000 0.636 379 A CB -0.698 18.339 19.000 0.062 0.000 0.810 379 A HN 0.442 nan 8.150 nan 0.000 0.448 380 F N -1.002 118.909 119.950 -0.064 0.000 2.039 380 F HA -0.121 4.406 4.527 0.000 0.000 0.294 380 F C 2.042 177.735 175.800 -0.179 0.000 1.130 380 F CA 1.639 59.517 58.000 -0.204 0.000 1.189 380 F CB -0.842 37.927 39.000 -0.384 0.000 0.983 380 F HN 0.373 nan 8.300 nan 0.000 0.471 381 W N 1.042 122.365 121.300 0.039 0.000 2.321 381 W HA -0.238 4.422 4.660 0.000 0.000 0.306 381 W C 2.352 178.852 176.519 -0.031 0.000 1.217 381 W CA 1.304 58.650 57.345 0.001 0.000 1.257 381 W CB -0.691 28.836 29.460 0.113 0.000 1.145 381 W HN 0.031 nan 8.180 nan 0.000 0.509 382 D N -0.292 120.216 120.400 0.180 0.000 2.158 382 D HA -0.176 4.464 4.640 0.000 0.000 0.197 382 D C 2.131 178.432 176.300 0.003 0.000 0.995 382 D CA 1.628 55.683 54.000 0.092 0.000 0.846 382 D CB -0.542 40.298 40.800 0.067 0.000 0.941 382 D HN 0.022 nan 8.370 nan 0.000 0.456 383 V N -0.190 119.659 119.914 -0.108 0.000 2.446 383 V HA -0.178 3.942 4.120 0.000 0.000 0.244 383 V C 2.030 178.031 176.094 -0.156 0.000 1.039 383 V CA 0.933 63.133 62.300 -0.167 0.000 1.045 383 V CB -0.658 31.006 31.823 -0.264 0.000 0.681 383 V HN 0.150 nan 8.190 nan 0.000 0.459 384 Y N 2.303 122.355 120.300 -0.413 0.000 2.070 384 Y HA -0.261 4.289 4.550 0.000 0.000 0.280 384 Y C 2.573 178.499 175.900 0.042 0.000 1.148 384 Y CA 2.164 60.113 58.100 -0.252 0.000 1.125 384 Y CB -0.430 37.700 38.460 -0.551 0.000 0.975 384 Y HN 0.261 nan 8.280 nan 0.000 0.492 385 N N -0.624 118.181 118.700 0.175 0.000 2.205 385 N HA -0.163 4.577 4.740 0.000 0.000 0.186 385 N C 1.730 177.203 175.510 -0.062 0.000 1.015 385 N CA 1.927 55.034 53.050 0.094 0.000 0.862 385 N CB -0.714 37.891 38.487 0.197 0.000 0.986 385 N HN 0.424 nan 8.380 nan 0.000 0.429 386 T N -0.062 114.462 114.554 -0.049 0.000 2.812 386 T HA -0.133 4.217 4.350 0.000 0.000 0.264 386 T C 1.710 176.339 174.700 -0.118 0.000 1.042 386 T CA 1.481 63.541 62.100 -0.068 0.000 1.140 386 T CB -0.344 68.496 68.868 -0.046 0.000 0.870 386 T HN 0.598 nan 8.240 nan 0.000 0.445 387 H N 1.416 120.338 119.070 -0.246 0.000 2.352 387 H HA 0.064 4.620 4.556 0.000 0.000 0.299 387 H C 2.120 177.297 175.328 -0.251 0.000 1.097 387 H CA 1.517 57.396 56.048 -0.281 0.000 1.311 387 H CB -0.080 29.477 29.762 -0.342 0.000 1.377 387 H HN 0.182 nan 8.280 nan 0.000 0.504 388 K N 0.031 119.879 120.400 -0.919 0.000 1.975 388 K HA -0.232 4.089 4.320 0.000 0.000 0.224 388 K C 2.256 178.652 176.600 -0.341 0.000 1.038 388 K CA 1.547 57.392 56.287 -0.738 0.000 1.009 388 K CB -0.306 31.869 32.500 -0.542 0.000 0.750 388 K HN 0.266 nan 8.250 nan 0.000 0.445 389 E N 1.113 121.186 120.200 -0.211 0.000 2.245 389 E HA -0.266 4.085 4.350 0.000 0.000 0.217 389 E C 1.227 177.775 176.600 -0.087 0.000 1.069 389 E CA 2.087 58.420 56.400 -0.112 0.000 0.877 389 E CB 0.023 29.681 29.700 -0.069 0.000 0.757 389 E HN 0.214 nan 8.360 nan 0.000 0.464 390 K N -0.768 119.573 120.400 -0.098 0.000 2.367 390 K HA 0.090 4.410 4.320 0.000 0.000 0.194 390 K C 0.001 176.580 176.600 -0.036 0.000 1.027 390 K CA 0.434 56.693 56.287 -0.046 0.000 1.075 390 K CB 0.149 32.629 32.500 -0.033 0.000 0.845 390 K HN 0.121 nan 8.250 nan 0.000 0.529 391 N N 1.588 120.237 118.700 -0.086 0.000 2.610 391 N HA -0.168 4.572 4.740 0.000 0.000 0.271 391 N C -1.267 174.267 175.510 0.041 0.000 1.146 391 N CA 0.631 53.672 53.050 -0.014 0.000 0.711 391 N CB -0.975 37.529 38.487 0.028 0.000 0.883 391 N HN 0.457 nan 8.380 nan 0.000 0.548 392 I N -2.296 118.253 120.570 -0.035 0.000 2.918 392 I HA 0.431 4.601 4.170 0.000 0.000 0.301 392 I C -0.104 175.844 176.117 -0.282 0.000 1.312 392 I CA -1.183 59.998 61.300 -0.198 0.000 1.007 392 I CB 1.700 39.427 38.000 -0.455 0.000 1.281 392 I HN 0.200 nan 8.210 nan 0.000 0.440 393 N N 5.112 123.409 118.700 -0.671 0.000 2.340 393 N HA 0.057 4.797 4.740 0.000 0.000 0.236 393 N C 0.641 175.867 175.510 -0.473 0.000 1.296 393 N CA -0.513 52.078 53.050 -0.766 0.000 0.896 393 N CB 0.775 38.810 38.487 -0.753 0.000 1.127 393 N HN 0.750 nan 8.380 nan 0.000 0.442 394 M N -0.045 119.240 119.600 -0.525 0.000 2.149 394 M HA -0.160 4.320 4.480 0.000 0.000 0.261 394 M C 2.261 178.409 176.300 -0.253 0.000 1.064 394 M CA 1.476 56.538 55.300 -0.398 0.000 1.102 394 M CB -0.859 31.501 32.600 -0.399 0.000 1.369 394 M HN 0.680 nan 8.290 nan 0.000 0.408 395 R N 0.664 121.041 120.500 -0.205 0.000 2.075 395 R HA -0.153 4.188 4.340 0.000 0.000 0.232 395 R C 1.652 177.906 176.300 -0.077 0.000 1.126 395 R CA 1.706 57.761 56.100 -0.075 0.000 0.963 395 R CB -0.024 30.267 30.300 -0.016 0.000 0.858 395 R HN 0.258 nan 8.270 nan 0.000 0.435 396 D N 0.299 120.565 120.400 -0.222 0.000 2.097 396 D HA -0.097 4.543 4.640 0.000 0.000 0.197 396 D C 1.789 177.953 176.300 -0.225 0.000 0.984 396 D CA 1.448 55.267 54.000 -0.301 0.000 0.826 396 D CB -0.320 40.157 40.800 -0.538 0.000 0.973 396 D HN 0.374 nan 8.370 nan 0.000 0.460 397 A N 1.532 124.219 122.820 -0.222 0.000 1.869 397 A HA -0.213 4.107 4.320 0.000 0.000 0.218 397 A C 2.392 179.923 177.584 -0.087 0.000 1.203 397 A CA 3.024 54.971 52.037 -0.150 0.000 0.638 397 A CB -1.104 17.816 19.000 -0.134 0.000 0.831 397 A HN 0.253 nan 8.150 nan 0.000 0.450 398 A N -1.990 120.774 122.820 -0.094 0.000 1.927 398 A HA -0.210 4.110 4.320 0.000 0.000 0.220 398 A C 2.095 179.751 177.584 0.121 0.000 1.185 398 A CA 2.000 53.989 52.037 -0.079 0.000 0.639 398 A CB -0.855 17.956 19.000 -0.314 0.000 0.820 398 A HN 0.646 nan 8.150 nan 0.000 0.451 399 Y N -1.296 118.997 120.300 -0.011 0.000 2.516 399 Y HA 0.018 4.568 4.550 0.000 0.000 0.291 399 Y C 2.414 178.208 175.900 -0.178 0.000 1.131 399 Y CA 0.832 58.867 58.100 -0.107 0.000 1.281 399 Y CB 0.047 38.358 38.460 -0.250 0.000 1.013 399 Y HN 0.127 nan 8.280 nan 0.000 0.554 400 V N -1.820 118.111 119.914 0.028 0.000 2.446 400 V HA -0.178 3.942 4.120 0.000 0.000 0.244 400 V C 2.084 178.172 176.094 -0.010 0.000 1.039 400 V CA 1.103 63.395 62.300 -0.014 0.000 1.045 400 V CB -0.352 31.458 31.823 -0.021 0.000 0.681 400 V HN 0.126 nan 8.190 nan 0.000 0.459 401 V N 0.315 120.226 119.914 -0.004 0.000 2.233 401 V HA -0.291 3.829 4.120 0.000 0.000 0.247 401 V C 2.662 178.774 176.094 0.030 0.000 1.050 401 V CA 2.238 64.543 62.300 0.009 0.000 1.010 401 V CB -1.121 30.700 31.823 -0.004 0.000 0.637 401 V HN 0.572 nan 8.190 nan 0.000 0.444 402 A N 0.063 122.906 122.820 0.038 0.000 1.848 402 A HA -0.242 4.078 4.320 0.000 0.000 0.217 402 A C 2.341 179.961 177.584 0.060 0.000 1.220 402 A CA 2.778 54.865 52.037 0.083 0.000 0.645 402 A CB -1.199 17.860 19.000 0.099 0.000 0.842 402 A HN 0.328 nan 8.150 nan 0.000 0.451 403 V N 0.962 120.817 119.914 -0.098 0.000 2.313 403 V HA -0.338 3.782 4.120 0.000 0.000 0.253 403 V C 2.813 178.938 176.094 0.052 0.000 1.070 403 V CA 2.680 64.914 62.300 -0.110 0.000 1.057 403 V CB -1.372 30.275 31.823 -0.293 0.000 0.653 403 V HN 0.715 nan 8.190 nan 0.000 0.450 404 S N 0.181 115.916 115.700 0.058 0.000 2.368 404 S HA -0.221 4.249 4.470 0.000 0.000 0.225 404 S C 1.984 176.677 174.600 0.154 0.000 1.030 404 S CA 1.443 59.725 58.200 0.138 0.000 0.999 404 S CB -0.470 62.787 63.200 0.095 0.000 0.844 404 S HN 0.582 nan 8.310 nan 0.000 0.459 405 R N 0.676 121.241 120.500 0.108 0.000 2.105 405 R HA -0.049 4.291 4.340 0.000 0.000 0.239 405 R C 2.192 178.554 176.300 0.103 0.000 1.135 405 R CA 1.500 57.652 56.100 0.087 0.000 0.967 405 R CB -0.740 29.609 30.300 0.081 0.000 0.861 405 R HN 0.333 nan 8.270 nan 0.000 0.442 406 V N -0.117 119.899 119.914 0.170 0.000 2.591 406 V HA -0.205 3.915 4.120 0.000 0.000 0.249 406 V C 1.857 178.064 176.094 0.188 0.000 1.053 406 V CA 1.233 63.649 62.300 0.193 0.000 1.068 406 V CB -0.635 31.381 31.823 0.321 0.000 0.689 406 V HN 0.259 nan 8.190 nan 0.000 0.462 407 Y N 1.502 121.835 120.300 0.054 0.000 2.114 407 Y HA -0.263 4.288 4.550 0.000 0.000 0.284 407 Y C 2.660 178.546 175.900 -0.023 0.000 1.143 407 Y CA 2.157 60.270 58.100 0.022 0.000 1.135 407 Y CB -0.681 37.790 38.460 0.017 0.000 0.980 407 Y HN 0.237 nan 8.280 nan 0.000 0.499 408 Q N 0.566 120.312 119.800 -0.091 0.000 1.998 408 Q HA -0.237 4.104 4.340 0.000 0.000 0.209 408 Q C 2.493 178.367 176.000 -0.210 0.000 1.002 408 Q CA 2.710 58.390 55.803 -0.206 0.000 0.858 408 Q CB -1.175 27.509 28.738 -0.090 0.000 0.932 408 Q HN 0.551 nan 8.270 nan 0.000 0.416 409 A N -0.130 122.601 122.820 -0.149 0.000 1.927 409 A HA -0.281 4.040 4.320 0.000 0.000 0.220 409 A C 2.218 179.590 177.584 -0.353 0.000 1.185 409 A CA 2.196 54.105 52.037 -0.213 0.000 0.639 409 A CB -0.743 18.158 19.000 -0.165 0.000 0.820 409 A HN 0.571 nan 8.150 nan 0.000 0.451 410 M N -1.590 117.825 119.600 -0.309 0.000 2.213 410 M HA -0.142 4.338 4.480 0.000 0.000 0.263 410 M C 2.123 178.228 176.300 -0.326 0.000 1.062 410 M CA 1.735 56.815 55.300 -0.366 0.000 1.105 410 M CB -0.094 32.438 32.600 -0.114 0.000 1.385 410 M HN 0.449 nan 8.290 nan 0.000 0.417 411 K N 0.130 120.347 120.400 -0.305 0.000 1.991 411 K HA -0.136 4.184 4.320 0.000 0.000 0.208 411 K C 1.412 177.873 176.600 -0.232 0.000 1.038 411 K CA 1.650 57.771 56.287 -0.277 0.000 0.943 411 K CB -0.054 32.220 32.500 -0.376 0.000 0.736 411 K HN 0.122 nan 8.250 nan 0.000 0.440 412 D N 0.410 120.672 120.400 -0.229 0.000 2.218 412 D HA -0.220 4.420 4.640 0.000 0.000 0.194 412 D C 1.849 178.026 176.300 -0.205 0.000 1.007 412 D CA 1.408 55.295 54.000 -0.189 0.000 0.879 412 D CB -0.099 40.598 40.800 -0.173 0.000 0.918 412 D HN 0.202 nan 8.370 nan 0.000 0.449 413 R N -0.885 119.423 120.500 -0.320 0.000 2.153 413 R HA 0.126 4.466 4.340 0.000 0.000 0.218 413 R C 1.365 177.543 176.300 -0.204 0.000 1.072 413 R CA 0.783 56.671 56.100 -0.353 0.000 0.990 413 R CB 0.154 29.967 30.300 -0.812 0.000 0.889 413 R HN 0.230 nan 8.270 nan 0.000 0.452 414 G N -0.376 108.322 108.800 -0.170 0.000 2.171 414 G HA2 -0.178 3.782 3.960 0.000 0.000 0.238 414 G HA3 -0.178 3.782 3.960 0.000 0.000 0.238 414 G C 0.158 175.114 174.900 0.095 0.000 1.039 414 G CA -0.029 45.048 45.100 -0.037 0.000 0.759 414 G HN 0.267 nan 8.290 nan 0.000 0.501 415 W N -0.181 121.016 121.300 -0.171 0.000 2.418 415 W HA 0.331 4.991 4.660 0.000 0.000 0.292 415 W C 1.475 177.848 176.519 -0.244 0.000 1.213 415 W CA 1.390 58.583 57.345 -0.254 0.000 1.283 415 W CB -0.246 28.925 29.460 -0.481 0.000 1.119 415 W HN 0.618 nan 8.180 nan 0.000 0.542 416 I N -3.314 117.265 120.570 0.015 0.000 2.828 416 I HA 0.400 4.570 4.170 0.000 0.000 0.302 416 I C 0.595 176.710 176.117 -0.003 0.000 1.101 416 I CA -1.457 59.846 61.300 0.005 0.000 1.031 416 I CB 1.503 39.514 38.000 0.018 0.000 1.231 416 I HN -0.428 nan 8.210 nan 0.000 0.427 417 K N 2.695 123.104 120.400 0.015 0.000 2.361 417 K HA 0.177 4.497 4.320 0.000 0.000 0.196 417 K C -0.046 176.549 176.600 -0.009 0.000 1.039 417 K CA 0.689 56.976 56.287 -0.000 0.000 1.001 417 K CB -0.426 32.082 32.500 0.013 0.000 0.795 417 K HN 0.861 nan 8.250 nan 0.000 0.495 418 K N 0.000 120.413 120.400 0.021 0.000 2.780 418 K HA 0.000 4.320 4.320 0.000 0.000 0.191 418 K CA 0.000 56.315 56.287 0.047 0.000 0.838 418 K CB 0.000 32.537 32.500 0.062 0.000 1.064 418 K HN 0.000 nan 8.250 nan 0.000 0.543