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 3mx2_1_B DATA FIRST_RESID 8 DATA SEQUENCE KSFLWTQSLR RELSGYCSNI KLQVVKDAQA LLHGLDFSEV SNVQRLMRKE DATA SEQUENCE RRDDNDLKRL RDLNQAVNNL VELKSTQQKS ILRVGTLTSD DLLILAADLE DATA SEQUENCE KLKSKVIRTE RPLSAGVYMG NLSSQQLDQR RALLNMIGMX XXXXXXXAGR DATA SEQUENCE DGVVRVWDVK NAELLNNQFG TMPSLTLACL TKQGQVDLND AVQALTDLGL DATA SEQUENCE IYTAKYPNTS DLDRLTQSHP ILNMIDTKKS SLNISGYNFS LGAAVKAGAC DATA SEQUENCE MLDGGNMLET IKVSPQTMDG ILKSILKVKK ALGMFISDTP GERNPYENIL DATA SEQUENCE YKICLSGDGW PYIASRTSIT GRAWENTVVD LXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXGLTY SQLMTLKDAM LQLDPNAKTW MDIEGRPEDP VEIALYQPSS DATA SEQUENCE GCYIHFFREP TDLKQFKQDA KYSHGIDVTD LFATQPGLTS AVIDALPRNM DATA SEQUENCE VITCQGSDDI RKLLESQGRK DIKLIDIALS KTDSRKYENA VWDQYKDLCH DATA SEQUENCE MHTGVVVEKK XXXXKEEITP HCALMDCIMF DAAVSGGLNT SVLRAVLPRD DATA SEQUENCE MVFR 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 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.390 176.600 -0.350 0.000 0.988 8 K CA 0.000 56.176 56.287 -0.186 0.000 0.838 8 K CB 0.000 32.492 32.500 -0.014 0.000 1.064 9 S N 2.653 118.153 115.700 -0.333 0.000 2.359 9 S HA -0.145 4.325 4.470 -0.001 0.000 0.224 9 S C 1.689 176.298 174.600 0.014 0.000 1.035 9 S CA 1.721 59.747 58.200 -0.291 0.000 1.018 9 S CB -0.281 62.796 63.200 -0.204 0.000 0.876 9 S HN 0.507 nan 8.310 nan 0.000 0.448 10 F N 1.646 121.590 119.950 -0.011 0.000 2.202 10 F HA -0.031 4.496 4.527 -0.001 0.000 0.301 10 F C 1.880 177.739 175.800 0.098 0.000 1.082 10 F CA 1.412 59.463 58.000 0.085 0.000 1.313 10 F CB -0.479 38.584 39.000 0.106 0.000 1.024 10 F HN 0.324 nan 8.300 nan 0.000 0.495 11 L N -0.890 120.421 121.223 0.147 0.000 2.056 11 L HA -0.173 4.167 4.340 -0.001 0.000 0.207 11 L C 1.946 178.935 176.870 0.199 0.000 1.078 11 L CA 1.717 56.639 54.840 0.136 0.000 0.749 11 L CB -0.933 41.242 42.059 0.194 0.000 0.901 11 L HN 0.140 nan 8.230 nan 0.000 0.433 12 W N 0.165 121.440 121.300 -0.043 0.000 2.355 12 W HA -0.131 4.529 4.660 -0.001 0.000 0.309 12 W C 2.692 179.164 176.519 -0.080 0.000 1.206 12 W CA 1.732 59.047 57.345 -0.049 0.000 1.284 12 W CB -1.717 27.726 29.460 -0.029 0.000 1.145 12 W HN 0.108 nan 8.180 nan 0.000 0.502 13 T N 0.399 115.027 114.554 0.122 0.000 2.635 13 T HA -0.285 4.065 4.350 -0.001 0.000 0.267 13 T C 1.759 176.327 174.700 -0.220 0.000 1.040 13 T CA 2.071 64.132 62.100 -0.065 0.000 1.156 13 T CB -0.567 68.215 68.868 -0.143 0.000 0.863 13 T HN 0.243 nan 8.240 nan 0.000 0.430 14 Q N 0.587 120.154 119.800 -0.388 0.000 2.096 14 Q HA -0.096 4.243 4.340 -0.001 0.000 0.204 14 Q C 2.774 178.690 176.000 -0.141 0.000 0.982 14 Q CA 1.629 57.236 55.803 -0.327 0.000 0.850 14 Q CB -0.232 28.305 28.738 -0.336 0.000 0.901 14 Q HN 0.505 nan 8.270 nan 0.000 0.422 15 S N 1.172 116.829 115.700 -0.071 0.000 2.368 15 S HA -0.107 4.362 4.470 -0.001 0.000 0.224 15 S C 2.027 176.606 174.600 -0.034 0.000 1.029 15 S CA 0.834 59.011 58.200 -0.037 0.000 0.988 15 S CB -0.303 62.884 63.200 -0.022 0.000 0.838 15 S HN 0.257 nan 8.310 nan 0.000 0.462 16 L N 1.227 122.437 121.223 -0.022 0.000 2.012 16 L HA -0.171 4.169 4.340 -0.001 0.000 0.210 16 L C 2.825 179.692 176.870 -0.006 0.000 1.073 16 L CA 1.428 56.271 54.840 0.005 0.000 0.748 16 L CB -0.506 41.583 42.059 0.050 0.000 0.891 16 L HN 0.253 nan 8.230 nan 0.000 0.431 17 R N -0.366 120.101 120.500 -0.055 0.000 2.096 17 R HA -0.239 4.101 4.340 -0.001 0.000 0.240 17 R C 2.410 178.688 176.300 -0.038 0.000 1.139 17 R CA 1.878 57.939 56.100 -0.065 0.000 0.952 17 R CB -0.480 29.743 30.300 -0.128 0.000 0.854 17 R HN 0.326 nan 8.270 nan 0.000 0.436 18 R N 0.913 121.388 120.500 -0.042 0.000 2.081 18 R HA -0.184 4.155 4.340 -0.001 0.000 0.235 18 R C 2.081 178.373 176.300 -0.012 0.000 1.131 18 R CA 1.856 57.938 56.100 -0.029 0.000 0.960 18 R CB -0.077 30.205 30.300 -0.029 0.000 0.856 18 R HN 0.053 nan 8.270 nan 0.000 0.436 19 E N 0.519 120.719 120.200 -0.000 0.000 2.152 19 E HA -0.073 4.277 4.350 -0.001 0.000 0.192 19 E C 1.391 178.026 176.600 0.060 0.000 0.983 19 E CA 1.093 57.505 56.400 0.020 0.000 0.818 19 E CB 0.049 29.760 29.700 0.019 0.000 0.758 19 E HN 0.460 nan 8.360 nan 0.000 0.467 20 L N 0.684 121.956 121.223 0.083 0.000 2.653 20 L HA 0.154 4.493 4.340 -0.001 0.000 0.231 20 L C 1.826 178.768 176.870 0.121 0.000 1.153 20 L CA 0.449 55.402 54.840 0.189 0.000 0.933 20 L CB -0.081 42.103 42.059 0.207 0.000 1.175 20 L HN 0.104 nan 8.230 nan 0.000 0.473 21 S N -0.239 115.474 115.700 0.022 0.000 2.387 21 S HA -0.180 4.289 4.470 -0.001 0.000 0.230 21 S C 2.014 176.585 174.600 -0.048 0.000 1.035 21 S CA 1.312 59.505 58.200 -0.012 0.000 1.014 21 S CB -0.791 62.392 63.200 -0.029 0.000 0.836 21 S HN 0.464 nan 8.310 nan 0.000 0.466 22 G N -0.623 108.087 108.800 -0.151 0.000 2.598 22 G HA2 0.008 3.968 3.960 -0.001 0.000 0.215 22 G HA3 0.008 3.968 3.960 -0.001 0.000 0.215 22 G C 0.817 175.528 174.900 -0.314 0.000 1.131 22 G CA 0.400 45.339 45.100 -0.268 0.000 0.785 22 G HN 0.662 nan 8.290 nan 0.000 0.539 23 Y N -0.144 120.160 120.300 0.005 0.000 2.462 23 Y HA 0.296 4.845 4.550 -0.001 0.000 0.261 23 Y C 1.716 177.631 175.900 0.026 0.000 1.146 23 Y CA -1.516 56.590 58.100 0.010 0.000 1.283 23 Y CB -0.408 38.058 38.460 0.010 0.000 1.090 23 Y HN 0.019 nan 8.280 nan 0.000 0.526 24 C N 0.949 120.332 119.300 0.138 0.000 2.595 24 C HA 0.621 5.080 4.460 -0.001 0.000 0.384 24 C C 0.862 175.906 174.990 0.090 0.000 1.289 24 C CA -0.471 58.609 59.018 0.104 0.000 2.372 24 C CB 0.306 28.080 27.740 0.057 0.000 2.593 24 C HN 0.501 nan 8.230 nan 0.000 0.639 25 S N 1.156 116.919 115.700 0.104 0.000 2.671 25 S HA 0.488 4.957 4.470 -0.001 0.000 0.277 25 S C -1.580 173.066 174.600 0.077 0.000 1.165 25 S CA -0.777 57.480 58.200 0.095 0.000 0.822 25 S CB 0.964 64.245 63.200 0.136 0.000 1.150 25 S HN 0.664 nan 8.310 nan 0.000 0.479 26 N N 0.822 119.558 118.700 0.061 0.000 2.439 26 N HA 0.463 5.203 4.740 -0.001 0.000 0.249 26 N C -0.450 175.084 175.510 0.040 0.000 1.003 26 N CA -0.312 52.764 53.050 0.042 0.000 0.942 26 N CB 0.997 39.502 38.487 0.028 0.000 1.115 26 N HN 0.716 nan 8.380 nan 0.000 0.505 27 I N 1.799 122.383 120.570 0.023 0.000 4.050 27 I HA 0.091 4.261 4.170 -0.001 0.000 0.327 27 I C 1.768 177.861 176.117 -0.039 0.000 1.473 27 I CA -0.027 61.266 61.300 -0.013 0.000 1.124 27 I CB 0.278 38.254 38.000 -0.039 0.000 1.129 27 I HN 0.381 nan 8.210 nan 0.000 0.428 28 K N 0.982 121.371 120.400 -0.017 0.000 2.044 28 K HA -0.202 4.118 4.320 -0.001 0.000 0.210 28 K C 1.844 178.426 176.600 -0.029 0.000 1.049 28 K CA 1.860 58.135 56.287 -0.021 0.000 0.927 28 K CB -0.120 32.375 32.500 -0.009 0.000 0.713 28 K HN 0.409 nan 8.250 nan 0.000 0.443 29 L N 0.662 121.871 121.223 -0.023 0.000 2.042 29 L HA -0.263 4.077 4.340 -0.001 0.000 0.210 29 L C 2.674 179.520 176.870 -0.040 0.000 1.076 29 L CA 1.631 56.456 54.840 -0.024 0.000 0.749 29 L CB -0.327 41.724 42.059 -0.013 0.000 0.893 29 L HN 0.405 nan 8.230 nan 0.000 0.432 30 Q N -1.175 118.587 119.800 -0.063 0.000 2.083 30 Q HA -0.159 4.180 4.340 -0.001 0.000 0.198 30 Q C 2.273 178.205 176.000 -0.114 0.000 0.969 30 Q CA 1.268 57.012 55.803 -0.099 0.000 0.838 30 Q CB -0.100 28.541 28.738 -0.161 0.000 0.900 30 Q HN 0.329 nan 8.270 nan 0.000 0.436 31 V N 0.298 120.143 119.914 -0.114 0.000 2.343 31 V HA -0.233 3.887 4.120 -0.001 0.000 0.247 31 V C 2.178 178.241 176.094 -0.051 0.000 1.051 31 V CA 1.470 63.714 62.300 -0.094 0.000 1.036 31 V CB -0.401 31.377 31.823 -0.075 0.000 0.654 31 V HN 0.197 nan 8.190 nan 0.000 0.451 32 V N -0.249 119.642 119.914 -0.038 0.000 2.358 32 V HA -0.250 3.870 4.120 -0.001 0.000 0.246 32 V C 2.416 178.502 176.094 -0.014 0.000 1.047 32 V CA 2.131 64.419 62.300 -0.019 0.000 1.035 32 V CB -0.702 31.112 31.823 -0.015 0.000 0.658 32 V HN 0.522 nan 8.190 nan 0.000 0.452 33 K N 0.001 120.387 120.400 -0.024 0.000 2.063 33 K HA -0.257 4.062 4.320 -0.001 0.000 0.208 33 K C 1.862 178.455 176.600 -0.012 0.000 1.048 33 K CA 2.030 58.306 56.287 -0.019 0.000 0.928 33 K CB -0.259 32.225 32.500 -0.027 0.000 0.713 33 K HN 0.443 nan 8.250 nan 0.000 0.442 34 D N 0.269 120.652 120.400 -0.028 0.000 2.117 34 D HA -0.135 4.504 4.640 -0.001 0.000 0.197 34 D C 1.762 178.072 176.300 0.017 0.000 0.987 34 D CA 1.341 55.330 54.000 -0.019 0.000 0.829 34 D CB -0.224 40.543 40.800 -0.054 0.000 0.961 34 D HN 0.333 nan 8.370 nan 0.000 0.460 35 A N 0.939 123.771 122.820 0.019 0.000 1.933 35 A HA -0.209 4.110 4.320 -0.001 0.000 0.218 35 A C 2.091 179.724 177.584 0.082 0.000 1.175 35 A CA 1.277 53.348 52.037 0.056 0.000 0.628 35 A CB -0.407 18.619 19.000 0.042 0.000 0.814 35 A HN 0.134 nan 8.150 nan 0.000 0.444 36 Q N -0.659 119.175 119.800 0.056 0.000 2.119 36 Q HA -0.092 4.247 4.340 -0.001 0.000 0.201 36 Q C 2.424 178.485 176.000 0.103 0.000 0.972 36 Q CA 1.421 57.264 55.803 0.067 0.000 0.847 36 Q CB -0.525 28.229 28.738 0.026 0.000 0.903 36 Q HN 0.680 nan 8.270 nan 0.000 0.433 37 A N 0.999 123.868 122.820 0.081 0.000 1.898 37 A HA -0.113 4.206 4.320 -0.001 0.000 0.216 37 A C 2.238 179.902 177.584 0.134 0.000 1.181 37 A CA 0.891 52.989 52.037 0.101 0.000 0.620 37 A CB -0.646 18.388 19.000 0.056 0.000 0.819 37 A HN 0.274 nan 8.150 nan 0.000 0.442 38 L N -0.694 120.602 121.223 0.122 0.000 2.046 38 L HA -0.183 4.157 4.340 -0.001 0.000 0.208 38 L C 2.560 179.599 176.870 0.282 0.000 1.077 38 L CA 1.109 56.031 54.840 0.137 0.000 0.747 38 L CB -0.605 41.541 42.059 0.146 0.000 0.896 38 L HN 0.356 nan 8.230 nan 0.000 0.432 39 L N -0.949 120.479 121.223 0.341 0.000 2.083 39 L HA -0.264 4.075 4.340 -0.001 0.000 0.209 39 L C 2.627 179.692 176.870 0.325 0.000 1.083 39 L CA 1.273 56.340 54.840 0.377 0.000 0.752 39 L CB -0.537 41.627 42.059 0.174 0.000 0.899 39 L HN 0.333 nan 8.230 nan 0.000 0.433 40 H N -0.850 118.309 119.070 0.147 0.000 2.448 40 H HA -0.000 4.554 4.556 -0.002 0.000 0.292 40 H C 1.900 177.282 175.328 0.090 0.000 1.035 40 H CA 1.367 57.475 56.048 0.099 0.000 1.349 40 H CB 0.224 30.022 29.762 0.060 0.000 1.425 40 H HN 0.184 nan 8.280 nan 0.000 0.539 41 G N -0.575 108.271 108.800 0.077 0.000 2.850 41 G HA2 0.123 4.083 3.960 -0.001 0.000 0.211 41 G HA3 0.123 4.083 3.960 -0.001 0.000 0.211 41 G C -0.232 174.633 174.900 -0.058 0.000 1.124 41 G CA -0.206 44.885 45.100 -0.015 0.000 0.769 41 G HN 0.205 nan 8.290 nan 0.000 0.535 42 L N 1.440 122.604 121.223 -0.098 0.000 2.334 42 L HA 0.460 4.799 4.340 -0.001 0.000 0.277 42 L C -0.839 175.826 176.870 -0.342 0.000 1.075 42 L CA -1.105 53.545 54.840 -0.316 0.000 0.804 42 L CB 1.681 43.358 42.059 -0.637 0.000 1.174 42 L HN -0.104 nan 8.230 nan 0.000 0.438 43 D N 3.151 123.393 120.400 -0.264 0.000 2.359 43 D HA 0.010 4.649 4.640 -0.001 0.000 0.250 43 D C 0.682 176.852 176.300 -0.217 0.000 1.264 43 D CA 0.240 54.149 54.000 -0.151 0.000 0.911 43 D CB 0.134 40.877 40.800 -0.095 0.000 1.056 43 D HN 0.389 nan 8.370 nan 0.000 0.499 44 F N 1.322 121.278 119.950 0.010 0.000 2.699 44 F HA -0.089 4.438 4.527 0.000 0.000 0.298 44 F C 2.598 178.405 175.800 0.011 0.000 1.154 44 F CA 0.433 58.448 58.000 0.024 0.000 1.457 44 F CB -0.084 38.944 39.000 0.046 0.000 1.106 44 F HN 0.361 nan 8.300 nan 0.000 0.585 45 S N -0.701 115.069 115.700 0.118 0.000 2.436 45 S HA -0.138 4.332 4.470 -0.001 0.000 0.228 45 S C 1.896 176.500 174.600 0.006 0.000 1.014 45 S CA 0.963 59.200 58.200 0.063 0.000 0.950 45 S CB -0.166 63.060 63.200 0.044 0.000 0.784 45 S HN 0.291 nan 8.310 nan 0.000 0.504 46 E N 1.584 121.759 120.200 -0.041 0.000 2.112 46 E HA 0.042 4.392 4.350 -0.001 0.000 0.190 46 E C 1.872 178.375 176.600 -0.160 0.000 0.979 46 E CA 0.863 57.204 56.400 -0.099 0.000 0.814 46 E CB -0.638 28.990 29.700 -0.119 0.000 0.762 46 E HN 0.346 nan 8.360 nan 0.000 0.460 47 V N 0.489 120.310 119.914 -0.155 0.000 2.231 47 V HA -0.309 3.810 4.120 -0.001 0.000 0.248 47 V C 2.456 178.509 176.094 -0.068 0.000 1.054 47 V CA 2.133 64.334 62.300 -0.165 0.000 1.015 47 V CB -1.120 30.746 31.823 0.072 0.000 0.638 47 V HN 0.398 nan 8.190 nan 0.000 0.444 48 S N 0.383 116.106 115.700 0.038 0.000 2.387 48 S HA -0.326 4.143 4.470 -0.001 0.000 0.230 48 S C 1.933 176.534 174.600 0.002 0.000 1.035 48 S CA 2.380 60.611 58.200 0.051 0.000 1.014 48 S CB -0.681 62.564 63.200 0.075 0.000 0.836 48 S HN 0.673 nan 8.310 nan 0.000 0.466 49 N N 0.386 119.066 118.700 -0.033 0.000 2.188 49 N HA -0.037 4.702 4.740 -0.001 0.000 0.184 49 N C 1.531 177.002 175.510 -0.065 0.000 1.018 49 N CA 1.602 54.627 53.050 -0.042 0.000 0.858 49 N CB -0.427 38.031 38.487 -0.048 0.000 0.989 49 N HN 0.317 nan 8.380 nan 0.000 0.426 50 V N 0.613 120.445 119.914 -0.136 0.000 2.548 50 V HA -0.160 3.959 4.120 -0.001 0.000 0.249 50 V C 2.146 178.201 176.094 -0.066 0.000 1.055 50 V CA 1.396 63.599 62.300 -0.161 0.000 1.065 50 V CB -0.560 31.015 31.823 -0.412 0.000 0.681 50 V HN 0.385 nan 8.190 nan 0.000 0.462 51 Q N -0.194 119.584 119.800 -0.038 0.000 2.084 51 Q HA -0.241 4.098 4.340 -0.001 0.000 0.202 51 Q C 2.462 178.481 176.000 0.032 0.000 0.978 51 Q CA 1.816 57.641 55.803 0.036 0.000 0.844 51 Q CB -0.319 28.463 28.738 0.074 0.000 0.898 51 Q HN 0.526 nan 8.270 nan 0.000 0.426 52 R N 0.825 121.334 120.500 0.015 0.000 2.091 52 R HA -0.154 4.185 4.340 -0.001 0.000 0.238 52 R C 2.072 178.369 176.300 -0.005 0.000 1.136 52 R CA 1.194 57.299 56.100 0.008 0.000 0.959 52 R CB -0.184 30.118 30.300 0.003 0.000 0.856 52 R HN 0.257 nan 8.270 nan 0.000 0.437 53 L N 0.042 121.261 121.223 -0.007 0.000 2.093 53 L HA -0.149 4.190 4.340 -0.001 0.000 0.208 53 L C 2.523 179.373 176.870 -0.033 0.000 1.085 53 L CA 0.781 55.610 54.840 -0.018 0.000 0.755 53 L CB -0.356 41.708 42.059 0.007 0.000 0.904 53 L HN 0.215 nan 8.230 nan 0.000 0.435 54 M N -0.366 119.245 119.600 0.020 0.000 2.296 54 M HA -0.109 4.371 4.480 -0.001 0.000 0.265 54 M C 2.236 178.534 176.300 -0.004 0.000 1.064 54 M CA 1.461 56.785 55.300 0.039 0.000 1.109 54 M CB -0.988 31.689 32.600 0.130 0.000 1.396 54 M HN 0.225 nan 8.290 nan 0.000 0.430 55 R N 0.497 120.995 120.500 -0.003 0.000 2.189 55 R HA 0.003 4.342 4.340 -0.001 0.000 0.223 55 R C 0.482 176.756 176.300 -0.044 0.000 1.092 55 R CA 0.442 56.535 56.100 -0.013 0.000 0.989 55 R CB -0.154 30.149 30.300 0.004 0.000 0.876 55 R HN 0.395 nan 8.270 nan 0.000 0.457 56 K N 1.315 121.673 120.400 -0.071 0.000 2.448 56 K HA -0.043 4.276 4.320 -0.001 0.000 0.278 56 K C 0.781 177.302 176.600 -0.131 0.000 1.009 56 K CA -0.034 56.194 56.287 -0.097 0.000 0.995 56 K CB 0.622 33.048 32.500 -0.123 0.000 0.917 56 K HN -0.038 nan 8.250 nan 0.000 0.481 57 E N 2.192 122.327 120.200 -0.108 0.000 2.285 57 E HA -0.057 4.293 4.350 -0.001 0.000 0.194 57 E C -0.043 176.464 176.600 -0.154 0.000 0.997 57 E CA 0.956 57.288 56.400 -0.114 0.000 0.845 57 E CB 0.249 29.904 29.700 -0.075 0.000 0.782 57 E HN 0.369 nan 8.360 nan 0.000 0.491 58 R N 0.158 120.563 120.500 -0.159 0.000 2.538 58 R HA 0.407 4.747 4.340 -0.001 0.000 0.292 58 R C -0.500 175.672 176.300 -0.214 0.000 1.008 58 R CA -0.388 55.610 56.100 -0.171 0.000 0.896 58 R CB 2.030 32.277 30.300 -0.088 0.000 1.187 58 R HN -0.136 nan 8.270 nan 0.000 0.440 59 R N 1.258 121.560 120.500 -0.330 0.000 2.740 59 R HA 0.372 4.711 4.340 -0.001 0.000 0.282 59 R C -0.783 175.498 176.300 -0.032 0.000 0.969 59 R CA -1.039 54.845 56.100 -0.360 0.000 0.918 59 R CB 1.558 31.204 30.300 -1.089 0.000 1.175 59 R HN 0.636 nan 8.270 nan 0.000 0.464 60 D N -0.725 119.742 120.400 0.113 0.000 2.712 60 D HA 0.120 4.759 4.640 -0.001 0.000 0.252 60 D C 0.025 176.493 176.300 0.280 0.000 1.123 60 D CA -0.636 53.485 54.000 0.202 0.000 1.109 60 D CB 0.360 41.224 40.800 0.107 0.000 1.313 60 D HN 0.240 nan 8.370 nan 0.000 0.629 61 D N -1.072 119.443 120.400 0.190 0.000 2.178 61 D HA -0.107 4.532 4.640 -0.001 0.000 0.201 61 D C 1.199 177.574 176.300 0.125 0.000 0.980 61 D CA 0.833 54.923 54.000 0.150 0.000 0.842 61 D CB 0.048 40.907 40.800 0.099 0.000 0.948 61 D HN 0.266 nan 8.370 nan 0.000 0.472 62 N N 1.194 119.958 118.700 0.107 0.000 2.166 62 N HA -0.120 4.620 4.740 -0.001 0.000 0.186 62 N C 1.295 176.864 175.510 0.099 0.000 1.019 62 N CA 0.819 53.917 53.050 0.080 0.000 0.856 62 N CB -0.274 38.247 38.487 0.057 0.000 0.993 62 N HN 0.263 nan 8.380 nan 0.000 0.426 63 D N 0.569 121.058 120.400 0.149 0.000 2.097 63 D HA -0.102 4.538 4.640 -0.001 0.000 0.197 63 D C 2.041 178.518 176.300 0.294 0.000 0.984 63 D CA 0.412 54.528 54.000 0.194 0.000 0.826 63 D CB -0.349 40.556 40.800 0.175 0.000 0.973 63 D HN 0.121 nan 8.370 nan 0.000 0.460 64 L N 1.390 122.841 121.223 0.381 0.000 2.131 64 L HA -0.141 4.199 4.340 -0.001 0.000 0.210 64 L C 2.057 178.953 176.870 0.043 0.000 1.092 64 L CA 1.698 56.641 54.840 0.172 0.000 0.759 64 L CB -0.401 41.659 42.059 0.002 0.000 0.903 64 L HN -0.116 nan 8.230 nan 0.000 0.435 65 K N -1.080 119.352 120.400 0.053 0.000 2.025 65 K HA -0.161 4.158 4.320 -0.001 0.000 0.207 65 K C 2.247 178.845 176.600 -0.003 0.000 1.049 65 K CA 0.844 57.139 56.287 0.012 0.000 0.933 65 K CB -0.089 32.423 32.500 0.019 0.000 0.714 65 K HN 0.189 nan 8.250 nan 0.000 0.438 66 R N 0.921 121.428 120.500 0.011 0.000 2.096 66 R HA -0.179 4.160 4.340 -0.001 0.000 0.240 66 R C 2.428 178.697 176.300 -0.051 0.000 1.139 66 R CA 1.341 57.430 56.100 -0.020 0.000 0.952 66 R CB -0.986 29.308 30.300 -0.011 0.000 0.854 66 R HN 0.318 nan 8.270 nan 0.000 0.436 67 L N 1.201 122.410 121.223 -0.024 0.000 2.027 67 L HA -0.123 4.216 4.340 -0.001 0.000 0.206 67 L C 2.329 179.146 176.870 -0.088 0.000 1.074 67 L CA 1.713 56.511 54.840 -0.069 0.000 0.745 67 L CB -0.305 41.730 42.059 -0.039 0.000 0.898 67 L HN -0.025 nan 8.230 nan 0.000 0.433 68 R N -0.378 120.070 120.500 -0.087 0.000 2.115 68 R HA -0.125 4.215 4.340 -0.001 0.000 0.230 68 R C 1.847 178.112 176.300 -0.058 0.000 1.111 68 R CA 1.377 57.425 56.100 -0.087 0.000 0.976 68 R CB -0.437 29.813 30.300 -0.085 0.000 0.870 68 R HN 0.456 nan 8.270 nan 0.000 0.445 69 D N 0.665 121.034 120.400 -0.052 0.000 2.123 69 D HA -0.127 4.512 4.640 -0.001 0.000 0.200 69 D C 1.806 178.075 176.300 -0.052 0.000 0.976 69 D CA 0.722 54.694 54.000 -0.046 0.000 0.831 69 D CB -0.192 40.583 40.800 -0.043 0.000 0.974 69 D HN 0.024 nan 8.370 nan 0.000 0.469 70 L N 1.297 122.476 121.223 -0.074 0.000 2.012 70 L HA -0.170 4.169 4.340 -0.001 0.000 0.210 70 L C 1.634 178.506 176.870 0.004 0.000 1.073 70 L CA 1.607 56.397 54.840 -0.083 0.000 0.748 70 L CB -0.636 41.299 42.059 -0.207 0.000 0.891 70 L HN -0.095 nan 8.230 nan 0.000 0.431 71 N N -0.514 118.207 118.700 0.035 0.000 2.061 71 N HA -0.262 4.477 4.740 -0.001 0.000 0.193 71 N C 1.848 177.361 175.510 0.005 0.000 1.030 71 N CA 1.519 54.599 53.050 0.049 0.000 0.856 71 N CB -0.407 38.074 38.487 -0.010 0.000 1.023 71 N HN 0.453 nan 8.380 nan 0.000 0.424 72 Q N 0.708 120.498 119.800 -0.017 0.000 2.096 72 Q HA 0.009 4.348 4.340 -0.001 0.000 0.204 72 Q C 1.838 177.829 176.000 -0.016 0.000 0.982 72 Q CA 1.956 57.747 55.803 -0.019 0.000 0.850 72 Q CB -0.519 28.204 28.738 -0.025 0.000 0.901 72 Q HN 0.373 nan 8.270 nan 0.000 0.422 73 A N -0.660 122.146 122.820 -0.023 0.000 1.902 73 A HA -0.127 4.192 4.320 -0.001 0.000 0.217 73 A C 2.290 179.860 177.584 -0.024 0.000 1.181 73 A CA 1.589 53.608 52.037 -0.030 0.000 0.623 73 A CB -0.845 18.124 19.000 -0.051 0.000 0.818 73 A HN 0.283 nan 8.150 nan 0.000 0.443 74 V N 0.626 120.534 119.914 -0.009 0.000 2.295 74 V HA -0.295 3.825 4.120 -0.001 0.000 0.246 74 V C 2.407 178.498 176.094 -0.005 0.000 1.049 74 V CA 2.412 64.711 62.300 -0.001 0.000 1.024 74 V CB -1.095 30.745 31.823 0.029 0.000 0.648 74 V HN 0.789 nan 8.190 nan 0.000 0.447 75 N N 0.553 119.250 118.700 -0.004 0.000 2.149 75 N HA -0.190 4.549 4.740 -0.001 0.000 0.188 75 N C 1.612 177.123 175.510 0.001 0.000 1.019 75 N CA 1.585 54.633 53.050 -0.003 0.000 0.857 75 N CB -0.186 38.299 38.487 -0.004 0.000 0.997 75 N HN 0.428 nan 8.380 nan 0.000 0.426 76 N N 0.003 118.702 118.700 -0.002 0.000 2.223 76 N HA -0.075 4.664 4.740 -0.001 0.000 0.185 76 N C 1.234 176.748 175.510 0.006 0.000 1.016 76 N CA 0.742 53.793 53.050 0.002 0.000 0.863 76 N CB -0.137 38.349 38.487 -0.003 0.000 0.983 76 N HN 0.380 nan 8.380 nan 0.000 0.429 77 L N 0.238 121.464 121.223 0.004 0.000 2.509 77 L HA 0.115 4.455 4.340 -0.001 0.000 0.222 77 L C 0.605 177.481 176.870 0.010 0.000 1.123 77 L CA -0.061 54.787 54.840 0.013 0.000 0.856 77 L CB 0.089 42.157 42.059 0.014 0.000 0.985 77 L HN -0.046 nan 8.230 nan 0.000 0.456 78 V N -4.526 115.388 119.914 0.001 0.000 2.850 78 V HA 0.376 4.496 4.120 -0.001 0.000 0.315 78 V C 0.744 176.830 176.094 -0.013 0.000 1.064 78 V CA -0.657 61.635 62.300 -0.013 0.000 0.979 78 V CB 1.881 33.687 31.823 -0.028 0.000 1.039 78 V HN 0.015 nan 8.190 nan 0.000 0.452 79 E N 1.680 121.857 120.200 -0.038 0.000 2.307 79 E HA 0.249 4.598 4.350 -0.001 0.000 0.195 79 E C 0.460 177.020 176.600 -0.068 0.000 0.975 79 E CA 0.323 56.706 56.400 -0.027 0.000 0.878 79 E CB 0.394 30.077 29.700 -0.028 0.000 0.845 79 E HN 0.685 nan 8.360 nan 0.000 0.488 80 L N 2.867 123.970 121.223 -0.200 0.000 2.401 80 L HA 0.157 4.496 4.340 -0.001 0.000 0.283 80 L C 0.103 176.939 176.870 -0.057 0.000 1.151 80 L CA 0.322 54.922 54.840 -0.400 0.000 0.942 80 L CB -0.044 41.648 42.059 -0.611 0.000 1.283 80 L HN -0.283 nan 8.230 nan 0.000 0.442 81 K N 1.879 122.389 120.400 0.184 0.000 2.464 81 K HA 0.474 4.794 4.320 -0.001 0.000 0.253 81 K C -0.848 175.915 176.600 0.271 0.000 0.933 81 K CA -0.728 55.666 56.287 0.179 0.000 0.801 81 K CB 2.565 35.134 32.500 0.116 0.000 1.271 81 K HN 0.211 nan 8.250 nan 0.000 0.430 82 S N 1.322 117.127 115.700 0.176 0.000 2.562 82 S HA 0.266 4.736 4.470 -0.001 0.000 0.275 82 S C 0.116 174.748 174.600 0.054 0.000 1.281 82 S CA -0.503 57.766 58.200 0.115 0.000 1.045 82 S CB 1.047 64.292 63.200 0.075 0.000 0.962 82 S HN 0.654 nan 8.310 nan 0.000 0.503 83 T N 0.754 115.319 114.554 0.018 0.000 2.925 83 T HA 0.450 4.799 4.350 -0.001 0.000 0.285 83 T C -0.381 174.303 174.700 -0.028 0.000 1.021 83 T CA -0.914 61.184 62.100 -0.003 0.000 1.042 83 T CB 1.157 70.023 68.868 -0.004 0.000 1.037 83 T HN 0.397 nan 8.240 nan 0.000 0.481 84 Q N 1.671 121.453 119.800 -0.030 0.000 2.244 84 Q HA 0.272 4.611 4.340 -0.001 0.000 0.276 84 Q C -0.703 175.266 176.000 -0.051 0.000 1.122 84 Q CA 0.501 56.277 55.803 -0.044 0.000 0.920 84 Q CB 0.279 28.993 28.738 -0.040 0.000 1.186 84 Q HN 0.659 nan 8.270 nan 0.000 0.393 85 Q N 3.280 123.042 119.800 -0.064 0.000 2.650 85 Q HA 0.230 4.569 4.340 -0.001 0.000 0.239 85 Q C -1.681 174.275 176.000 -0.074 0.000 0.893 85 Q CA -0.382 55.382 55.803 -0.066 0.000 0.755 85 Q CB 0.818 29.514 28.738 -0.070 0.000 1.349 85 Q HN 0.569 nan 8.270 nan 0.000 0.461 86 K N 1.757 122.117 120.400 -0.067 0.000 2.401 86 K HA 0.391 4.711 4.320 -0.001 0.000 0.278 86 K C -0.860 175.703 176.600 -0.060 0.000 1.018 86 K CA 0.306 56.553 56.287 -0.067 0.000 0.981 86 K CB 0.460 32.926 32.500 -0.057 0.000 0.933 86 K HN 0.661 nan 8.250 nan 0.000 0.477 87 S N 4.210 119.873 115.700 -0.062 0.000 2.521 87 S HA 0.513 4.982 4.470 -0.001 0.000 0.295 87 S C -0.535 174.039 174.600 -0.042 0.000 1.098 87 S CA -0.787 57.380 58.200 -0.055 0.000 0.999 87 S CB 1.111 64.272 63.200 -0.066 0.000 1.034 87 S HN 0.525 nan 8.310 nan 0.000 0.483 88 I N 3.174 123.724 120.570 -0.033 0.000 2.411 88 I HA 0.330 4.499 4.170 -0.001 0.000 0.284 88 I C -0.983 175.122 176.117 -0.020 0.000 1.012 88 I CA -0.541 60.745 61.300 -0.023 0.000 1.119 88 I CB 1.142 39.131 38.000 -0.019 0.000 1.261 88 I HN 0.349 nan 8.210 nan 0.000 0.448 89 L N 7.085 128.299 121.223 -0.016 0.000 2.260 89 L HA 0.528 4.868 4.340 -0.001 0.000 0.289 89 L C 0.068 176.933 176.870 -0.007 0.000 1.057 89 L CA -0.373 54.459 54.840 -0.014 0.000 0.811 89 L CB 0.407 42.459 42.059 -0.012 0.000 1.184 89 L HN 0.589 nan 8.230 nan 0.000 0.429 90 R N 1.889 122.384 120.500 -0.008 0.000 2.892 90 R HA 0.587 4.926 4.340 -0.001 0.000 0.265 90 R C -0.907 175.391 176.300 -0.004 0.000 1.025 90 R CA -1.096 55.001 56.100 -0.005 0.000 0.982 90 R CB 2.049 32.346 30.300 -0.006 0.000 1.185 90 R HN 0.208 nan 8.270 nan 0.000 0.484 91 V N 1.446 121.359 119.914 -0.002 0.000 2.694 91 V HA 0.240 4.359 4.120 -0.001 0.000 0.306 91 V C 0.938 177.031 176.094 -0.002 0.000 1.054 91 V CA 1.838 64.137 62.300 -0.001 0.000 1.161 91 V CB 0.724 32.547 31.823 -0.001 0.000 0.916 91 V HN 1.091 nan 8.190 nan 0.000 0.490 92 G N 3.308 112.107 108.800 -0.001 0.000 2.483 92 G HA2 -0.054 3.905 3.960 -0.001 0.000 0.090 92 G HA3 -0.054 3.905 3.960 -0.001 0.000 0.090 92 G C 0.829 175.730 174.900 0.001 0.000 0.984 92 G CA 0.377 45.477 45.100 -0.001 0.000 1.325 92 G HN 0.443 nan 8.290 nan 0.000 0.561 93 T N 1.618 116.173 114.554 0.002 0.000 2.684 93 T HA 0.048 4.397 4.350 -0.001 0.000 0.267 93 T C 1.229 175.932 174.700 0.005 0.000 1.036 93 T CA 1.032 63.135 62.100 0.006 0.000 1.148 93 T CB -0.390 68.483 68.868 0.008 0.000 0.863 93 T HN 0.180 nan 8.240 nan 0.000 0.436 94 L N 2.648 123.872 121.223 0.002 0.000 2.331 94 L HA 0.267 4.606 4.340 -0.001 0.000 0.278 94 L C 1.161 178.032 176.870 0.002 0.000 1.106 94 L CA -0.838 54.004 54.840 0.002 0.000 0.824 94 L CB 0.743 42.802 42.059 0.001 0.000 1.142 94 L HN 0.239 nan 8.230 nan 0.000 0.443 95 T N -0.973 113.583 114.554 0.002 0.000 2.748 95 T HA -0.004 4.345 4.350 -0.001 0.000 0.304 95 T C 1.303 176.004 174.700 0.002 0.000 1.041 95 T CA -0.081 62.020 62.100 0.001 0.000 1.033 95 T CB 1.236 70.105 68.868 0.001 0.000 0.995 95 T HN 0.572 nan 8.240 nan 0.000 0.536 96 S N -0.016 115.685 115.700 0.002 0.000 2.365 96 S HA -0.197 4.272 4.470 -0.001 0.000 0.225 96 S C 1.721 176.323 174.600 0.004 0.000 1.039 96 S CA 2.024 60.226 58.200 0.002 0.000 1.033 96 S CB -0.946 62.255 63.200 0.001 0.000 0.887 96 S HN 0.938 nan 8.310 nan 0.000 0.447 97 D N 0.502 120.904 120.400 0.003 0.000 2.149 97 D HA -0.089 4.551 4.640 -0.001 0.000 0.201 97 D C 1.557 177.861 176.300 0.007 0.000 0.972 97 D CA 1.277 55.279 54.000 0.004 0.000 0.835 97 D CB -0.385 40.416 40.800 0.001 0.000 0.966 97 D HN 0.295 nan 8.370 nan 0.000 0.476 98 D N 0.075 120.479 120.400 0.006 0.000 2.133 98 D HA -0.184 4.456 4.640 -0.001 0.000 0.192 98 D C 2.230 178.539 176.300 0.016 0.000 1.001 98 D CA 0.782 54.787 54.000 0.009 0.000 0.844 98 D CB -0.323 40.481 40.800 0.007 0.000 0.944 98 D HN 0.339 nan 8.370 nan 0.000 0.447 99 L N 0.105 121.335 121.223 0.012 0.000 2.056 99 L HA -0.118 4.221 4.340 -0.001 0.000 0.207 99 L C 2.604 179.485 176.870 0.019 0.000 1.078 99 L CA 0.518 55.366 54.840 0.014 0.000 0.749 99 L CB -0.344 41.721 42.059 0.009 0.000 0.901 99 L HN 0.054 nan 8.230 nan 0.000 0.433 100 L N -0.394 120.839 121.223 0.017 0.000 2.046 100 L HA -0.243 4.097 4.340 -0.001 0.000 0.208 100 L C 2.481 179.368 176.870 0.028 0.000 1.077 100 L CA 1.335 56.187 54.840 0.019 0.000 0.747 100 L CB -0.452 41.615 42.059 0.014 0.000 0.896 100 L HN 0.211 nan 8.230 nan 0.000 0.432 101 I N -0.339 120.248 120.570 0.030 0.000 2.179 101 I HA -0.315 3.855 4.170 -0.001 0.000 0.242 101 I C 2.469 178.624 176.117 0.065 0.000 1.088 101 I CA 1.447 62.773 61.300 0.043 0.000 1.357 101 I CB -0.253 37.768 38.000 0.035 0.000 1.051 101 I HN 0.223 nan 8.210 nan 0.000 0.409 102 L N 0.468 121.725 121.223 0.057 0.000 2.046 102 L HA -0.191 4.149 4.340 -0.001 0.000 0.208 102 L C 2.838 179.740 176.870 0.053 0.000 1.077 102 L CA 1.355 56.233 54.840 0.062 0.000 0.747 102 L CB -0.640 41.445 42.059 0.043 0.000 0.896 102 L HN 0.237 nan 8.230 nan 0.000 0.432 103 A N -0.178 122.667 122.820 0.042 0.000 1.933 103 A HA -0.146 4.174 4.320 -0.001 0.000 0.218 103 A C 2.501 180.108 177.584 0.038 0.000 1.175 103 A CA 1.636 53.697 52.037 0.038 0.000 0.628 103 A CB -0.628 18.391 19.000 0.030 0.000 0.814 103 A HN 0.409 nan 8.150 nan 0.000 0.444 104 A N 0.038 122.883 122.820 0.043 0.000 1.873 104 A HA -0.163 4.157 4.320 -0.001 0.000 0.215 104 A C 1.792 179.411 177.584 0.058 0.000 1.186 104 A CA 1.867 53.931 52.037 0.045 0.000 0.616 104 A CB -0.575 18.455 19.000 0.049 0.000 0.823 104 A HN 0.423 nan 8.150 nan 0.000 0.442 105 D N -0.038 120.412 120.400 0.084 0.000 2.144 105 D HA -0.079 4.561 4.640 -0.001 0.000 0.200 105 D C 1.906 178.241 176.300 0.059 0.000 0.978 105 D CA 0.853 54.916 54.000 0.104 0.000 0.833 105 D CB -0.286 40.619 40.800 0.176 0.000 0.961 105 D HN 0.441 nan 8.370 nan 0.000 0.470 106 L N 0.705 121.959 121.223 0.051 0.000 2.093 106 L HA -0.120 4.219 4.340 -0.001 0.000 0.208 106 L C 2.297 179.167 176.870 0.000 0.000 1.085 106 L CA 1.001 55.875 54.840 0.058 0.000 0.755 106 L CB -0.271 41.841 42.059 0.087 0.000 0.904 106 L HN 0.001 nan 8.230 nan 0.000 0.435 107 E N 0.109 120.296 120.200 -0.021 0.000 2.110 107 E HA -0.234 4.116 4.350 -0.001 0.000 0.193 107 E C 2.160 178.690 176.600 -0.118 0.000 0.988 107 E CA 1.106 57.451 56.400 -0.091 0.000 0.804 107 E CB 0.070 29.741 29.700 -0.048 0.000 0.745 107 E HN 0.439 nan 8.360 nan 0.000 0.458 108 K N 0.216 120.591 120.400 -0.042 0.000 2.062 108 K HA -0.113 4.207 4.320 -0.001 0.000 0.205 108 K C 2.114 178.688 176.600 -0.043 0.000 1.051 108 K CA 0.492 56.768 56.287 -0.019 0.000 0.941 108 K CB -0.076 32.459 32.500 0.059 0.000 0.719 108 K HN 0.012 nan 8.250 nan 0.000 0.440 109 L N 2.224 123.435 121.223 -0.019 0.000 2.046 109 L HA -0.174 4.166 4.340 -0.001 0.000 0.208 109 L C 2.253 179.053 176.870 -0.117 0.000 1.077 109 L CA 1.735 56.581 54.840 0.010 0.000 0.747 109 L CB -0.548 41.589 42.059 0.130 0.000 0.896 109 L HN 0.079 nan 8.230 nan 0.000 0.432 110 K N -1.343 118.827 120.400 -0.385 0.000 2.059 110 K HA -0.250 4.069 4.320 -0.001 0.000 0.212 110 K C 2.371 178.568 176.600 -0.672 0.000 1.050 110 K CA 1.919 57.510 56.287 -1.161 0.000 0.927 110 K CB -0.290 31.398 32.500 -1.353 0.000 0.714 110 K HN 0.350 nan 8.250 nan 0.000 0.447 111 S N 0.447 115.918 115.700 -0.381 0.000 2.356 111 S HA -0.162 4.307 4.470 -0.001 0.000 0.223 111 S C 1.997 176.495 174.600 -0.171 0.000 1.032 111 S CA 1.570 59.621 58.200 -0.249 0.000 1.005 111 S CB -0.213 62.873 63.200 -0.189 0.000 0.867 111 S HN 0.375 nan 8.310 nan 0.000 0.449 112 K N 0.300 120.625 120.400 -0.124 0.000 2.057 112 K HA -0.037 4.283 4.320 -0.001 0.000 0.206 112 K C 2.001 178.561 176.600 -0.066 0.000 1.050 112 K CA 1.524 57.770 56.287 -0.067 0.000 0.935 112 K CB -0.277 32.209 32.500 -0.022 0.000 0.715 112 K HN 0.335 nan 8.250 nan 0.000 0.439 113 V N 1.867 121.740 119.914 -0.067 0.000 2.307 113 V HA -0.247 3.872 4.120 -0.001 0.000 0.245 113 V C 2.355 178.456 176.094 0.013 0.000 1.045 113 V CA 1.620 63.907 62.300 -0.023 0.000 1.024 113 V CB -0.321 31.560 31.823 0.097 0.000 0.651 113 V HN 0.315 nan 8.190 nan 0.000 0.449 114 I N -0.349 120.217 120.570 -0.005 0.000 2.208 114 I HA -0.278 3.891 4.170 -0.001 0.000 0.245 114 I C 2.683 178.790 176.117 -0.017 0.000 1.097 114 I CA 1.700 63.010 61.300 0.016 0.000 1.363 114 I CB -0.419 37.557 38.000 -0.039 0.000 1.051 114 I HN 0.227 nan 8.210 nan 0.000 0.413 115 R N -0.289 120.180 120.500 -0.051 0.000 2.236 115 R HA -0.037 4.303 4.340 -0.001 0.000 0.208 115 R C 2.089 178.369 176.300 -0.033 0.000 1.036 115 R CA 1.135 57.206 56.100 -0.047 0.000 1.001 115 R CB -0.094 30.166 30.300 -0.066 0.000 0.896 115 R HN 0.350 nan 8.270 nan 0.000 0.464 116 T N 0.141 114.675 114.554 -0.033 0.000 2.939 116 T HA 0.001 4.351 4.350 -0.001 0.000 0.254 116 T C 1.351 176.032 174.700 -0.033 0.000 1.041 116 T CA 0.874 62.953 62.100 -0.035 0.000 1.142 116 T CB 0.198 69.037 68.868 -0.047 0.000 0.874 116 T HN 0.295 nan 8.240 nan 0.000 0.452 117 E N 0.504 120.689 120.200 -0.024 0.000 2.201 117 E HA 0.161 4.511 4.350 -0.001 0.000 0.193 117 E C 2.313 178.914 176.600 0.001 0.000 0.957 117 E CA -0.015 56.370 56.400 -0.025 0.000 0.858 117 E CB 0.107 29.790 29.700 -0.028 0.000 0.816 117 E HN 0.168 nan 8.360 nan 0.000 0.475 118 R N 1.068 121.578 120.500 0.016 0.000 2.105 118 R HA -0.099 4.240 4.340 -0.001 0.000 0.239 118 R C -0.813 175.505 176.300 0.031 0.000 1.135 118 R CA 1.417 57.534 56.100 0.028 0.000 0.967 118 R CB -0.566 29.750 30.300 0.027 0.000 0.861 118 R HN 0.070 nan 8.270 nan 0.000 0.442 119 P HA -0.065 nan 4.420 nan 0.000 0.229 119 P C 0.677 178.005 177.300 0.046 0.000 1.160 119 P CA 0.525 63.641 63.100 0.027 0.000 0.777 119 P CB 0.099 31.806 31.700 0.012 0.000 0.814 120 L N -0.199 121.058 121.223 0.058 0.000 2.129 120 L HA -0.188 4.151 4.340 -0.001 0.000 0.212 120 L C 2.147 179.124 176.870 0.178 0.000 1.087 120 L CA 2.356 57.263 54.840 0.113 0.000 0.757 120 L CB -1.678 40.468 42.059 0.146 0.000 0.896 120 L HN 0.139 nan 8.230 nan 0.000 0.434 121 S N -2.843 112.943 115.700 0.143 0.000 2.731 121 S HA 0.223 4.692 4.470 -0.001 0.000 0.244 121 S C 1.992 176.655 174.600 0.105 0.000 1.084 121 S CA 0.248 58.544 58.200 0.159 0.000 0.877 121 S CB -0.298 62.979 63.200 0.128 0.000 0.798 121 S HN 0.170 nan 8.310 nan 0.000 0.496 122 A N 2.026 124.888 122.820 0.071 0.000 1.933 122 A HA 0.488 4.807 4.320 -0.001 0.000 0.218 122 A C 1.573 179.188 177.584 0.052 0.000 1.175 122 A CA 1.162 53.228 52.037 0.049 0.000 0.628 122 A CB -1.419 17.596 19.000 0.026 0.000 0.814 122 A HN 1.848 nan 8.150 nan 0.000 0.444 123 G N -2.972 105.860 108.800 0.054 0.000 2.663 123 G HA2 0.153 4.113 3.960 -0.001 0.000 0.686 123 G HA3 0.153 4.113 3.960 -0.001 0.000 0.686 123 G C -0.819 174.110 174.900 0.049 0.000 1.246 123 G CA -0.429 44.703 45.100 0.053 0.000 0.795 123 G HN 1.056 nan 8.290 nan 0.000 0.627 124 V N 2.022 121.965 119.914 0.048 0.000 2.483 124 V HA 0.471 4.590 4.120 -0.001 0.000 0.297 124 V C 0.023 176.165 176.094 0.080 0.000 1.027 124 V CA -0.845 61.488 62.300 0.055 0.000 0.855 124 V CB 1.564 33.401 31.823 0.022 0.000 0.995 124 V HN 1.019 nan 8.190 nan 0.000 0.424 125 Y N 6.468 126.764 120.300 -0.006 0.000 2.650 125 Y HA 0.219 4.769 4.550 -0.001 0.000 0.331 125 Y C 0.689 176.584 175.900 -0.007 0.000 1.165 125 Y CA 0.135 58.231 58.100 -0.006 0.000 1.473 125 Y CB 0.668 39.123 38.460 -0.007 0.000 1.224 125 Y HN 0.550 nan 8.280 nan 0.000 0.533 126 M N 6.968 126.251 119.600 -0.528 0.000 3.004 126 M HA 0.252 4.732 4.480 -0.001 0.000 0.365 126 M C 0.644 176.590 176.300 -0.591 0.000 1.317 126 M CA 0.003 55.030 55.300 -0.454 0.000 0.821 126 M CB 0.195 32.666 32.600 -0.215 0.000 1.387 126 M HN 0.877 nan 8.290 nan 0.000 0.501 127 G N 1.409 109.515 108.800 -1.157 0.000 3.226 127 G HA2 0.030 3.989 3.960 -0.001 0.000 0.190 127 G HA3 0.030 3.989 3.960 -0.001 0.000 0.190 127 G C 0.215 174.941 174.900 -0.290 0.000 1.988 127 G CA -0.039 44.687 45.100 -0.623 0.000 0.859 127 G HN 0.425 nan 8.290 nan 0.000 0.631 128 N N 0.793 119.472 118.700 -0.036 0.000 2.508 128 N HA 0.349 5.088 4.740 -0.001 0.000 0.253 128 N C -0.767 174.819 175.510 0.126 0.000 1.145 128 N CA 0.059 53.153 53.050 0.073 0.000 0.973 128 N CB -0.517 38.044 38.487 0.123 0.000 1.305 128 N HN 0.223 nan 8.380 nan 0.000 0.506 129 L N 0.503 121.752 121.223 0.043 0.000 2.359 129 L HA 0.501 4.840 4.340 -0.001 0.000 0.256 129 L C 0.420 177.302 176.870 0.020 0.000 1.026 129 L CA -1.218 53.654 54.840 0.054 0.000 0.828 129 L CB 1.776 43.855 42.059 0.034 0.000 1.406 129 L HN 0.381 nan 8.230 nan 0.000 0.413 130 S N -0.628 115.085 115.700 0.022 0.000 2.584 130 S HA 0.060 4.530 4.470 -0.001 0.000 0.270 130 S C 1.117 175.717 174.600 0.001 0.000 1.346 130 S CA 0.040 58.246 58.200 0.010 0.000 1.018 130 S CB 1.348 64.555 63.200 0.011 0.000 0.899 130 S HN 0.618 nan 8.310 nan 0.000 0.542 131 S N 0.454 116.153 115.700 -0.002 0.000 2.372 131 S HA -0.239 4.230 4.470 -0.001 0.000 0.227 131 S C 1.980 176.577 174.600 -0.005 0.000 1.044 131 S CA 1.901 60.097 58.200 -0.006 0.000 1.050 131 S CB -0.693 62.504 63.200 -0.005 0.000 0.901 131 S HN 0.836 nan 8.310 nan 0.000 0.447 132 Q N 0.002 119.802 119.800 -0.001 0.000 2.084 132 Q HA -0.177 4.162 4.340 -0.001 0.000 0.202 132 Q C 2.287 178.288 176.000 0.002 0.000 0.978 132 Q CA 1.486 57.289 55.803 0.001 0.000 0.844 132 Q CB -0.112 28.627 28.738 0.003 0.000 0.898 132 Q HN 0.636 nan 8.270 nan 0.000 0.426 133 Q N 0.069 119.872 119.800 0.005 0.000 2.050 133 Q HA -0.160 4.179 4.340 -0.001 0.000 0.202 133 Q C 2.262 178.262 176.000 0.000 0.000 0.980 133 Q CA 1.420 57.228 55.803 0.009 0.000 0.840 133 Q CB -0.125 28.627 28.738 0.023 0.000 0.898 133 Q HN 0.383 nan 8.270 nan 0.000 0.424 134 L N 0.830 122.046 121.223 -0.011 0.000 2.043 134 L HA -0.264 4.075 4.340 -0.001 0.000 0.212 134 L C 1.869 178.728 176.870 -0.020 0.000 1.075 134 L CA 1.056 55.881 54.840 -0.026 0.000 0.752 134 L CB -0.446 41.592 42.059 -0.036 0.000 0.891 134 L HN 0.239 nan 8.230 nan 0.000 0.432 135 D N -0.544 119.848 120.400 -0.013 0.000 2.117 135 D HA -0.164 4.476 4.640 -0.001 0.000 0.198 135 D C 2.346 178.641 176.300 -0.007 0.000 0.982 135 D CA 1.033 55.027 54.000 -0.010 0.000 0.828 135 D CB -0.118 40.678 40.800 -0.007 0.000 0.967 135 D HN 0.404 nan 8.370 nan 0.000 0.464 136 Q N 0.280 120.078 119.800 -0.004 0.000 2.050 136 Q HA -0.099 4.240 4.340 -0.001 0.000 0.202 136 Q C 2.340 178.339 176.000 -0.003 0.000 0.980 136 Q CA 1.070 56.873 55.803 -0.001 0.000 0.840 136 Q CB -0.021 28.719 28.738 0.003 0.000 0.898 136 Q HN 0.194 nan 8.270 nan 0.000 0.424 137 R N 0.435 120.933 120.500 -0.005 0.000 2.080 137 R HA -0.111 4.228 4.340 -0.001 0.000 0.236 137 R C 2.346 178.638 176.300 -0.013 0.000 1.137 137 R CA 1.447 57.543 56.100 -0.007 0.000 0.943 137 R CB -0.193 30.101 30.300 -0.010 0.000 0.846 137 R HN 0.135 nan 8.270 nan 0.000 0.431 138 R N 0.112 120.601 120.500 -0.018 0.000 2.113 138 R HA -0.193 4.146 4.340 -0.001 0.000 0.244 138 R C 2.345 178.637 176.300 -0.013 0.000 1.142 138 R CA 1.715 57.803 56.100 -0.019 0.000 0.953 138 R CB -0.489 29.799 30.300 -0.020 0.000 0.860 138 R HN 0.273 nan 8.270 nan 0.000 0.438 139 A N 0.993 123.807 122.820 -0.009 0.000 1.908 139 A HA -0.191 4.128 4.320 -0.001 0.000 0.218 139 A C 2.079 179.659 177.584 -0.006 0.000 1.181 139 A CA 1.398 53.431 52.037 -0.006 0.000 0.627 139 A CB -0.563 18.436 19.000 -0.002 0.000 0.818 139 A HN 0.301 nan 8.150 nan 0.000 0.445 140 L N -0.135 121.084 121.223 -0.006 0.000 1.994 140 L HA -0.131 4.209 4.340 -0.001 0.000 0.208 140 L C 2.308 179.172 176.870 -0.010 0.000 1.071 140 L CA 1.847 56.682 54.840 -0.008 0.000 0.745 140 L CB -0.550 41.504 42.059 -0.008 0.000 0.892 140 L HN 0.407 nan 8.230 nan 0.000 0.431 141 L N -0.183 121.033 121.223 -0.012 0.000 2.012 141 L HA -0.247 4.092 4.340 -0.001 0.000 0.210 141 L C 2.447 179.308 176.870 -0.015 0.000 1.073 141 L CA 1.469 56.301 54.840 -0.014 0.000 0.748 141 L CB -0.994 41.054 42.059 -0.018 0.000 0.891 141 L HN 0.394 nan 8.230 nan 0.000 0.431 142 N N -0.043 118.649 118.700 -0.013 0.000 2.084 142 N HA -0.227 4.513 4.740 -0.001 0.000 0.190 142 N C 1.854 177.357 175.510 -0.010 0.000 1.030 142 N CA 1.466 54.509 53.050 -0.012 0.000 0.849 142 N CB -0.308 38.173 38.487 -0.010 0.000 1.012 142 N HN 0.295 nan 8.380 nan 0.000 0.423 143 M N 0.826 120.420 119.600 -0.009 0.000 2.267 143 M HA -0.076 4.403 4.480 -0.001 0.000 0.263 143 M C 1.298 177.591 176.300 -0.011 0.000 1.063 143 M CA 1.363 56.658 55.300 -0.007 0.000 1.090 143 M CB 0.000 32.598 32.600 -0.004 0.000 1.392 143 M HN 0.189 nan 8.290 nan 0.000 0.422 144 I N -3.960 116.601 120.570 -0.015 0.000 3.904 144 I HA 0.411 4.580 4.170 -0.001 0.000 0.333 144 I C 0.941 177.045 176.117 -0.023 0.000 1.361 144 I CA 0.342 61.630 61.300 -0.020 0.000 1.116 144 I CB -0.566 37.421 38.000 -0.021 0.000 1.028 144 I HN 0.378 nan 8.210 nan 0.000 0.398 145 G N 1.860 110.649 108.800 -0.019 0.000 2.198 145 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.260 145 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.260 145 G C 0.041 174.928 174.900 -0.023 0.000 1.025 145 G CA 0.601 45.690 45.100 -0.019 0.000 0.769 145 G HN 0.490 nan 8.290 nan 0.000 0.507 156 G N -0.562 108.218 108.800 -0.033 0.000 2.680 156 G HA2 0.463 4.422 3.960 -0.001 0.000 0.092 156 G HA3 0.463 4.422 3.960 -0.001 0.000 0.092 156 G C -1.192 173.708 174.900 -0.001 0.000 1.097 156 G CA -0.290 44.800 45.100 -0.016 0.000 1.368 156 G HN 0.789 nan 8.290 nan 0.000 0.619 157 R N 1.136 121.644 120.500 0.013 0.000 2.360 157 R HA 0.617 4.957 4.340 -0.001 0.000 0.318 157 R C -1.911 174.421 176.300 0.053 0.000 0.950 157 R CA -0.530 55.588 56.100 0.031 0.000 0.837 157 R CB 1.926 32.243 30.300 0.029 0.000 1.165 157 R HN 0.362 nan 8.270 nan 0.000 0.458 158 D N 2.126 122.576 120.400 0.085 0.000 2.591 158 D HA 0.114 4.753 4.640 -0.001 0.000 0.222 158 D C -0.587 175.835 176.300 0.204 0.000 1.360 158 D CA -0.291 53.764 54.000 0.091 0.000 0.967 158 D CB 1.943 42.786 40.800 0.071 0.000 1.456 158 D HN 0.778 nan 8.370 nan 0.000 0.588 159 G N 2.072 110.967 108.800 0.159 0.000 3.209 159 G HA2 0.393 4.352 3.960 -0.001 0.000 0.274 159 G HA3 0.393 4.352 3.960 -0.001 0.000 0.274 159 G C 0.228 175.083 174.900 -0.076 0.000 0.850 159 G CA -0.110 44.959 45.100 -0.052 0.000 1.907 159 G HN 0.249 nan 8.290 nan 0.000 0.591 160 V N 1.659 121.606 119.914 0.054 0.000 2.481 160 V HA 0.281 4.400 4.120 -0.001 0.000 0.286 160 V C 0.185 176.289 176.094 0.018 0.000 1.042 160 V CA -0.650 61.691 62.300 0.069 0.000 0.928 160 V CB 1.825 33.719 31.823 0.118 0.000 0.986 160 V HN 0.234 nan 8.190 nan 0.000 0.462 161 V N 6.136 126.053 119.914 0.004 0.000 2.370 161 V HA 0.626 4.745 4.120 -0.001 0.000 0.279 161 V C 0.094 176.194 176.094 0.011 0.000 1.029 161 V CA -0.452 61.843 62.300 -0.008 0.000 0.870 161 V CB 1.229 33.036 31.823 -0.027 0.000 0.984 161 V HN 0.919 nan 8.190 nan 0.000 0.451 162 R N 3.546 124.051 120.500 0.008 0.000 2.523 162 R HA 0.423 4.762 4.340 -0.001 0.000 0.278 162 R C -0.690 175.608 176.300 -0.003 0.000 1.150 162 R CA -0.439 55.678 56.100 0.028 0.000 0.987 162 R CB 2.086 32.417 30.300 0.052 0.000 1.232 162 R HN 0.400 nan 8.270 nan 0.000 0.424 163 V N 2.777 122.683 119.914 -0.014 0.000 2.379 163 V HA 0.077 4.196 4.120 -0.001 0.000 0.243 163 V C 0.128 176.096 176.094 -0.210 0.000 1.035 163 V CA 0.906 63.119 62.300 -0.145 0.000 1.035 163 V CB -0.080 31.634 31.823 -0.181 0.000 0.673 163 V HN 0.581 nan 8.190 nan 0.000 0.457 164 W N 0.576 121.888 121.300 0.020 0.000 2.329 164 W HA 0.476 5.137 4.660 0.000 0.000 0.312 164 W C -0.596 175.947 176.519 0.041 0.000 1.054 164 W CA -0.532 56.836 57.345 0.040 0.000 1.245 164 W CB 0.857 30.348 29.460 0.051 0.000 1.255 164 W HN -0.036 nan 8.180 nan 0.000 0.436 165 D N 4.259 124.826 120.400 0.279 0.000 2.467 165 D HA 0.352 4.991 4.640 -0.001 0.000 0.220 165 D C -1.000 175.424 176.300 0.206 0.000 1.103 165 D CA -0.218 53.897 54.000 0.192 0.000 0.886 165 D CB 0.578 41.450 40.800 0.120 0.000 1.025 165 D HN 0.165 nan 8.370 nan 0.000 0.514 166 V N 1.241 121.266 119.914 0.184 0.000 3.007 166 V HA 0.523 4.642 4.120 -0.001 0.000 0.311 166 V C 0.942 177.099 176.094 0.104 0.000 1.120 166 V CA -0.892 61.495 62.300 0.145 0.000 0.980 166 V CB 2.167 34.066 31.823 0.125 0.000 1.033 166 V HN 0.140 nan 8.190 nan 0.000 0.429 167 K N 1.392 121.844 120.400 0.087 0.000 2.103 167 K HA 0.023 4.342 4.320 -0.001 0.000 0.204 167 K C 0.520 177.165 176.600 0.075 0.000 1.052 167 K CA 1.299 57.636 56.287 0.082 0.000 0.945 167 K CB -0.215 32.329 32.500 0.073 0.000 0.722 167 K HN 0.759 nan 8.250 nan 0.000 0.443 168 N N 0.071 118.803 118.700 0.054 0.000 2.573 168 N HA 0.248 4.987 4.740 -0.001 0.000 0.262 168 N C -0.099 175.420 175.510 0.015 0.000 1.029 168 N CA -0.081 52.994 53.050 0.042 0.000 0.882 168 N CB 1.498 40.005 38.487 0.033 0.000 1.204 168 N HN -0.010 nan 8.380 nan 0.000 0.519 169 A N 2.878 125.711 122.820 0.023 0.000 2.067 169 A HA -0.057 4.262 4.320 -0.001 0.000 0.219 169 A C 1.559 179.128 177.584 -0.025 0.000 1.158 169 A CA 0.961 52.994 52.037 -0.006 0.000 0.661 169 A CB -0.168 18.846 19.000 0.024 0.000 0.801 169 A HN 0.651 nan 8.150 nan 0.000 0.452 170 E N 0.315 120.514 120.200 -0.002 0.000 2.267 170 E HA -0.145 4.204 4.350 -0.001 0.000 0.197 170 E C 1.624 178.205 176.600 -0.033 0.000 0.998 170 E CA 0.733 57.128 56.400 -0.008 0.000 0.830 170 E CB -0.446 29.258 29.700 0.006 0.000 0.751 170 E HN 0.719 nan 8.360 nan 0.000 0.491 171 L N 0.147 121.340 121.223 -0.049 0.000 2.551 171 L HA -0.036 4.304 4.340 -0.001 0.000 0.228 171 L C 2.054 178.857 176.870 -0.112 0.000 1.153 171 L CA 0.145 54.942 54.840 -0.073 0.000 0.851 171 L CB -0.254 41.762 42.059 -0.070 0.000 0.959 171 L HN 0.071 nan 8.230 nan 0.000 0.451 172 L N -1.013 120.139 121.223 -0.118 0.000 2.313 172 L HA -0.024 4.316 4.340 -0.001 0.000 0.214 172 L C 0.616 177.522 176.870 0.060 0.000 1.119 172 L CA -0.012 54.784 54.840 -0.073 0.000 0.809 172 L CB -0.505 41.451 42.059 -0.172 0.000 0.933 172 L HN 0.275 nan 8.230 nan 0.000 0.449 173 N N 2.328 121.033 118.700 0.009 0.000 2.359 173 N HA -0.100 4.640 4.740 -0.001 0.000 0.261 173 N C 0.262 175.794 175.510 0.036 0.000 1.267 173 N CA 0.553 53.619 53.050 0.027 0.000 0.864 173 N CB -0.086 38.391 38.487 -0.017 0.000 1.063 173 N HN 0.184 nan 8.380 nan 0.000 0.474 174 N N 0.617 119.370 118.700 0.088 0.000 2.782 174 N HA -0.170 4.569 4.740 -0.001 0.000 0.251 174 N C -0.293 175.227 175.510 0.017 0.000 1.101 174 N CA 0.454 53.545 53.050 0.067 0.000 0.764 174 N CB -0.569 37.932 38.487 0.023 0.000 1.122 174 N HN 0.611 nan 8.380 nan 0.000 0.561 175 Q N -1.017 118.777 119.800 -0.010 0.000 2.280 175 Q HA 0.284 4.624 4.340 -0.001 0.000 0.201 175 Q C 0.686 176.359 176.000 -0.546 0.000 0.890 175 Q CA 0.290 55.892 55.803 -0.334 0.000 0.947 175 Q CB 0.045 28.428 28.738 -0.591 0.000 1.081 175 Q HN 0.518 nan 8.270 nan 0.000 0.502 176 F N -0.848 119.101 119.950 -0.002 0.000 2.772 176 F HA 0.352 4.879 4.527 0.000 0.000 0.316 176 F C 1.242 177.029 175.800 -0.022 0.000 1.114 176 F CA -0.683 57.325 58.000 0.012 0.000 1.191 176 F CB 0.749 39.772 39.000 0.038 0.000 1.065 176 F HN -0.139 nan 8.300 nan 0.000 0.534 177 G N 0.888 109.736 108.800 0.080 0.000 2.467 177 G HA2 0.398 4.357 3.960 -0.001 0.000 0.257 177 G HA3 0.398 4.357 3.960 -0.001 0.000 0.257 177 G C 0.059 174.939 174.900 -0.033 0.000 1.227 177 G CA -0.253 44.870 45.100 0.038 0.000 0.835 177 G HN 0.100 nan 8.290 nan 0.000 0.556 178 T N -0.364 114.179 114.554 -0.017 0.000 2.897 178 T HA 0.572 4.921 4.350 -0.001 0.000 0.294 178 T C 0.005 174.688 174.700 -0.028 0.000 1.004 178 T CA -0.616 61.452 62.100 -0.053 0.000 1.106 178 T CB 1.384 70.239 68.868 -0.022 0.000 0.949 178 T HN 0.526 nan 8.240 nan 0.000 0.520 179 M N 3.675 123.239 119.600 -0.059 0.000 2.327 179 M HA 0.404 4.884 4.480 -0.001 0.000 0.298 179 M C -2.385 173.902 176.300 -0.023 0.000 1.065 179 M CA -2.393 52.888 55.300 -0.031 0.000 0.916 179 M CB 2.436 35.003 32.600 -0.056 0.000 1.630 179 M HN 0.307 nan 8.290 nan 0.000 0.442 180 P HA -0.133 nan 4.420 nan 0.000 0.215 180 P C 1.248 178.549 177.300 0.000 0.000 1.153 180 P CA 1.778 64.880 63.100 0.003 0.000 0.853 180 P CB 0.146 31.847 31.700 0.002 0.000 0.788 181 S N -0.688 115.002 115.700 -0.016 0.000 2.368 181 S HA -0.175 4.294 4.470 -0.001 0.000 0.225 181 S C 1.915 176.536 174.600 0.034 0.000 1.030 181 S CA 1.148 59.348 58.200 -0.001 0.000 0.999 181 S CB -1.622 61.566 63.200 -0.020 0.000 0.844 181 S HN -0.005 nan 8.310 nan 0.000 0.459 182 L N 2.227 123.457 121.223 0.012 0.000 2.017 182 L HA -0.023 4.317 4.340 -0.001 0.000 0.208 182 L C 2.540 179.454 176.870 0.074 0.000 1.073 182 L CA 2.328 57.185 54.840 0.029 0.000 0.745 182 L CB -1.534 40.473 42.059 -0.085 0.000 0.894 182 L HN 0.328 nan 8.230 nan 0.000 0.432 183 T N -0.043 114.535 114.554 0.039 0.000 2.684 183 T HA -0.222 4.127 4.350 -0.001 0.000 0.267 183 T C 1.798 176.593 174.700 0.159 0.000 1.036 183 T CA 1.870 64.034 62.100 0.106 0.000 1.148 183 T CB -0.461 68.450 68.868 0.073 0.000 0.863 183 T HN 0.282 nan 8.240 nan 0.000 0.436 184 L N 1.225 122.506 121.223 0.097 0.000 2.046 184 L HA 0.105 4.444 4.340 -0.001 0.000 0.208 184 L C 2.582 179.509 176.870 0.095 0.000 1.077 184 L CA 1.855 56.741 54.840 0.076 0.000 0.747 184 L CB -1.036 41.047 42.059 0.040 0.000 0.896 184 L HN 0.228 nan 8.230 nan 0.000 0.432 185 A N -1.687 121.216 122.820 0.137 0.000 1.930 185 A HA -0.193 4.126 4.320 -0.001 0.000 0.217 185 A C 2.348 180.033 177.584 0.169 0.000 1.175 185 A CA 1.654 53.796 52.037 0.175 0.000 0.627 185 A CB -1.320 17.872 19.000 0.319 0.000 0.815 185 A HN 0.612 nan 8.150 nan 0.000 0.443 186 C N -0.857 118.621 119.300 0.298 0.000 2.466 186 C HA 0.058 4.517 4.460 -0.001 0.000 0.278 186 C C 2.598 177.737 174.990 0.249 0.000 1.288 186 C CA 0.696 59.938 59.018 0.372 0.000 1.722 186 C CB -1.465 26.593 27.740 0.529 0.000 2.017 186 C HN 0.621 nan 8.230 nan 0.000 0.488 187 L N 0.700 122.045 121.223 0.204 0.000 2.012 187 L HA -0.196 4.144 4.340 -0.001 0.000 0.210 187 L C 2.733 179.559 176.870 -0.074 0.000 1.073 187 L CA 1.930 56.747 54.840 -0.038 0.000 0.748 187 L CB -1.302 40.739 42.059 -0.030 0.000 0.891 187 L HN 0.361 nan 8.230 nan 0.000 0.431 188 T N -0.568 113.957 114.554 -0.048 0.000 2.580 188 T HA -0.276 4.074 4.350 -0.001 0.000 0.265 188 T C 1.928 176.540 174.700 -0.147 0.000 1.063 188 T CA 1.984 64.034 62.100 -0.084 0.000 1.170 188 T CB -0.184 68.646 68.868 -0.064 0.000 0.863 188 T HN 0.104 nan 8.240 nan 0.000 0.418 189 K N 0.979 121.223 120.400 -0.260 0.000 2.031 189 K HA 0.027 4.347 4.320 -0.001 0.000 0.205 189 K C 2.360 178.815 176.600 -0.242 0.000 1.049 189 K CA 1.317 57.362 56.287 -0.403 0.000 0.939 189 K CB -0.178 31.680 32.500 -1.070 0.000 0.717 189 K HN 0.363 nan 8.250 nan 0.000 0.438 190 Q N -1.246 118.469 119.800 -0.142 0.000 2.331 190 Q HA 0.074 4.414 4.340 -0.001 0.000 0.203 190 Q C 1.642 177.597 176.000 -0.076 0.000 0.944 190 Q CA 1.106 56.886 55.803 -0.038 0.000 0.892 190 Q CB 0.331 29.134 28.738 0.108 0.000 0.983 190 Q HN 0.469 nan 8.270 nan 0.000 0.482 191 G N -0.109 108.619 108.800 -0.120 0.000 3.088 191 G HA2 -0.047 3.913 3.960 -0.001 0.000 0.217 191 G HA3 -0.047 3.913 3.960 -0.001 0.000 0.217 191 G C 0.074 174.920 174.900 -0.089 0.000 1.159 191 G CA -0.286 44.738 45.100 -0.127 0.000 0.760 191 G HN 0.267 nan 8.290 nan 0.000 0.550 192 Q N -0.929 118.820 119.800 -0.086 0.000 2.460 192 Q HA -0.162 4.178 4.340 -0.001 0.000 0.311 192 Q C -0.167 175.800 176.000 -0.055 0.000 1.396 192 Q CA 0.411 56.173 55.803 -0.068 0.000 0.838 192 Q CB -2.166 26.541 28.738 -0.052 0.000 1.140 192 Q HN 0.644 nan 8.270 nan 0.000 0.415 193 V N -4.239 115.641 119.914 -0.058 0.000 3.126 193 V HA 0.623 4.742 4.120 -0.001 0.000 0.314 193 V C 0.155 176.227 176.094 -0.037 0.000 1.138 193 V CA -1.245 61.031 62.300 -0.039 0.000 1.034 193 V CB 2.132 33.935 31.823 -0.032 0.000 1.075 193 V HN 0.057 nan 8.190 nan 0.000 0.442 194 D N 1.008 121.395 120.400 -0.022 0.000 2.414 194 D HA 0.132 4.771 4.640 -0.001 0.000 0.242 194 D C 0.947 177.236 176.300 -0.018 0.000 1.129 194 D CA 0.172 54.162 54.000 -0.018 0.000 0.885 194 D CB 1.658 42.453 40.800 -0.007 0.000 1.198 194 D HN 0.723 nan 8.370 nan 0.000 0.437 195 L N 3.532 124.745 121.223 -0.017 0.000 2.043 195 L HA -0.264 4.075 4.340 -0.001 0.000 0.212 195 L C 1.671 178.533 176.870 -0.012 0.000 1.075 195 L CA 1.887 56.718 54.840 -0.015 0.000 0.752 195 L CB -0.555 41.500 42.059 -0.007 0.000 0.891 195 L HN 0.366 nan 8.230 nan 0.000 0.432 196 N N -0.379 118.317 118.700 -0.007 0.000 2.104 196 N HA -0.223 4.516 4.740 -0.001 0.000 0.190 196 N C 1.493 177.002 175.510 -0.002 0.000 1.024 196 N CA 1.773 54.820 53.050 -0.004 0.000 0.853 196 N CB -0.164 38.325 38.487 0.003 0.000 1.008 196 N HN 0.472 nan 8.380 nan 0.000 0.424 197 D N -0.452 119.952 120.400 0.006 0.000 2.183 197 D HA -0.028 4.612 4.640 -0.001 0.000 0.203 197 D C 1.719 178.010 176.300 -0.016 0.000 0.969 197 D CA 0.943 54.961 54.000 0.029 0.000 0.842 197 D CB -0.343 40.486 40.800 0.048 0.000 0.957 197 D HN 0.410 nan 8.370 nan 0.000 0.484 198 A N 0.763 123.565 122.820 -0.031 0.000 1.898 198 A HA -0.103 4.216 4.320 -0.001 0.000 0.216 198 A C 2.514 180.054 177.584 -0.073 0.000 1.181 198 A CA 0.921 52.926 52.037 -0.052 0.000 0.620 198 A CB -0.677 18.303 19.000 -0.034 0.000 0.819 198 A HN 0.122 nan 8.150 nan 0.000 0.442 199 V N 0.101 119.983 119.914 -0.055 0.000 2.343 199 V HA -0.270 3.850 4.120 -0.001 0.000 0.247 199 V C 2.748 178.783 176.094 -0.098 0.000 1.051 199 V CA 2.062 64.328 62.300 -0.056 0.000 1.036 199 V CB -0.739 31.065 31.823 -0.032 0.000 0.654 199 V HN 0.529 nan 8.190 nan 0.000 0.451 200 Q N -0.215 119.512 119.800 -0.121 0.000 2.079 200 Q HA -0.098 4.241 4.340 -0.001 0.000 0.200 200 Q C 2.455 178.180 176.000 -0.459 0.000 0.974 200 Q CA 1.885 57.579 55.803 -0.182 0.000 0.840 200 Q CB -0.712 27.994 28.738 -0.054 0.000 0.898 200 Q HN 0.649 nan 8.270 nan 0.000 0.430 201 A N 0.811 123.240 122.820 -0.651 0.000 1.902 201 A HA -0.132 4.187 4.320 -0.001 0.000 0.217 201 A C 2.251 179.641 177.584 -0.322 0.000 1.181 201 A CA 1.092 52.667 52.037 -0.771 0.000 0.623 201 A CB -0.700 18.056 19.000 -0.406 0.000 0.818 201 A HN 0.315 nan 8.150 nan 0.000 0.443 202 L N -0.776 120.329 121.223 -0.197 0.000 2.093 202 L HA -0.143 4.196 4.340 -0.001 0.000 0.208 202 L C 2.761 179.581 176.870 -0.084 0.000 1.085 202 L CA 1.656 56.432 54.840 -0.106 0.000 0.755 202 L CB -0.931 41.089 42.059 -0.065 0.000 0.904 202 L HN 0.349 nan 8.230 nan 0.000 0.435 203 T N -0.865 113.634 114.554 -0.092 0.000 2.720 203 T HA -0.193 4.157 4.350 -0.001 0.000 0.268 203 T C 1.423 176.101 174.700 -0.037 0.000 1.037 203 T CA 1.590 63.660 62.100 -0.050 0.000 1.144 203 T CB -0.255 68.586 68.868 -0.045 0.000 0.864 203 T HN 0.300 nan 8.240 nan 0.000 0.444 204 D N 0.722 121.082 120.400 -0.067 0.000 2.117 204 D HA -0.028 4.612 4.640 -0.001 0.000 0.197 204 D C 2.000 178.291 176.300 -0.015 0.000 0.987 204 D CA 0.493 54.479 54.000 -0.024 0.000 0.829 204 D CB -0.449 40.351 40.800 0.001 0.000 0.961 204 D HN 0.127 nan 8.370 nan 0.000 0.460 205 L N 0.897 122.095 121.223 -0.043 0.000 2.017 205 L HA -0.008 4.332 4.340 -0.001 0.000 0.208 205 L C 2.351 179.212 176.870 -0.015 0.000 1.073 205 L CA 1.871 56.680 54.840 -0.051 0.000 0.745 205 L CB -1.187 40.822 42.059 -0.084 0.000 0.894 205 L HN 0.093 nan 8.230 nan 0.000 0.432 206 G N -0.638 108.167 108.800 0.010 0.000 2.513 206 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.219 206 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.219 206 G C 1.650 176.616 174.900 0.109 0.000 1.160 206 G CA 1.322 46.475 45.100 0.087 0.000 0.767 206 G HN 0.431 nan 8.290 nan 0.000 0.571 207 L N 0.248 121.506 121.223 0.057 0.000 2.046 207 L HA -0.064 4.276 4.340 -0.001 0.000 0.208 207 L C 2.716 179.623 176.870 0.062 0.000 1.077 207 L CA 0.362 55.233 54.840 0.052 0.000 0.747 207 L CB -0.382 41.696 42.059 0.032 0.000 0.896 207 L HN 0.098 nan 8.230 nan 0.000 0.432 208 I N -0.956 119.645 120.570 0.051 0.000 2.286 208 I HA -0.305 3.865 4.170 -0.001 0.000 0.248 208 I C 2.389 178.557 176.117 0.084 0.000 1.115 208 I CA 1.420 62.741 61.300 0.035 0.000 1.392 208 I CB -1.328 36.667 38.000 -0.008 0.000 1.065 208 I HN 0.246 nan 8.210 nan 0.000 0.418 209 Y N 2.409 122.687 120.300 -0.037 0.000 2.497 209 Y HA -0.192 4.357 4.550 -0.001 0.000 0.292 209 Y C 2.627 178.641 175.900 0.190 0.000 1.137 209 Y CA 1.389 59.503 58.100 0.025 0.000 1.285 209 Y CB -0.709 37.738 38.460 -0.023 0.000 0.991 209 Y HN 0.378 nan 8.280 nan 0.000 0.556 210 T N -2.956 111.671 114.554 0.121 0.000 2.962 210 T HA -0.009 4.341 4.350 -0.001 0.000 0.270 210 T C 1.757 176.577 174.700 0.200 0.000 1.088 210 T CA 1.100 63.245 62.100 0.074 0.000 1.127 210 T CB -0.356 68.539 68.868 0.045 0.000 0.883 210 T HN 0.290 nan 8.240 nan 0.000 0.493 211 A N 1.127 124.067 122.820 0.199 0.000 2.138 211 A HA 0.488 4.807 4.320 -0.001 0.000 0.203 211 A C 0.698 178.201 177.584 -0.135 0.000 1.286 211 A CA 0.093 52.209 52.037 0.132 0.000 0.929 211 A CB 0.528 19.552 19.000 0.039 0.000 0.975 211 A HN 0.682 nan 8.150 nan 0.000 0.480 212 K N -1.897 118.201 120.400 -0.504 0.000 2.597 212 K HA 0.343 4.663 4.320 -0.001 0.000 0.282 212 K C -1.688 174.482 176.600 -0.716 0.000 0.975 212 K CA -0.741 54.882 56.287 -1.106 0.000 0.867 212 K CB 0.673 32.908 32.500 -0.442 0.000 1.465 212 K HN -0.047 nan 8.250 nan 0.000 0.417 213 Y N 2.345 122.251 120.300 -0.656 0.000 2.465 213 Y HA 0.190 4.739 4.550 -0.001 0.000 0.331 213 Y C -2.131 173.738 175.900 -0.052 0.000 1.102 213 Y CA -0.939 57.146 58.100 -0.025 0.000 1.358 213 Y CB 0.803 39.323 38.460 0.101 0.000 1.213 213 Y HN 0.437 nan 8.280 nan 0.000 0.525 214 P HA 0.075 nan 4.420 nan 0.000 0.271 214 P C -1.274 176.013 177.300 -0.021 0.000 1.216 214 P CA -0.086 62.891 63.100 -0.205 0.000 0.771 214 P CB 0.616 32.151 31.700 -0.275 0.000 0.864 215 N N -0.302 118.412 118.700 0.022 0.000 2.592 215 N HA 0.214 4.953 4.740 -0.001 0.000 0.292 215 N C 1.035 176.564 175.510 0.031 0.000 1.260 215 N CA -0.567 52.522 53.050 0.065 0.000 0.910 215 N CB -0.791 37.730 38.487 0.057 0.000 1.257 215 N HN 0.312 nan 8.380 nan 0.000 0.569 216 T N -2.951 111.625 114.554 0.037 0.000 2.759 216 T HA -0.234 4.115 4.350 -0.001 0.000 0.269 216 T C 1.756 176.464 174.700 0.013 0.000 1.042 216 T CA 2.056 64.170 62.100 0.024 0.000 1.140 216 T CB -1.013 67.870 68.868 0.025 0.000 0.864 216 T HN 0.632 nan 8.240 nan 0.000 0.455 217 S N 2.033 117.739 115.700 0.011 0.000 2.356 217 S HA -0.174 4.295 4.470 -0.001 0.000 0.223 217 S C 1.789 176.389 174.600 0.000 0.000 1.032 217 S CA 1.335 59.538 58.200 0.005 0.000 1.005 217 S CB -0.770 62.432 63.200 0.003 0.000 0.867 217 S HN 0.543 nan 8.310 nan 0.000 0.449 218 D N 1.684 122.082 120.400 -0.004 0.000 2.117 218 D HA -0.057 4.582 4.640 -0.001 0.000 0.197 218 D C 1.976 178.272 176.300 -0.007 0.000 0.987 218 D CA 1.200 55.194 54.000 -0.010 0.000 0.829 218 D CB -0.591 40.195 40.800 -0.024 0.000 0.961 218 D HN 0.449 nan 8.370 nan 0.000 0.460 219 L N 1.234 122.453 121.223 -0.007 0.000 2.093 219 L HA -0.139 4.200 4.340 -0.001 0.000 0.208 219 L C 1.454 178.328 176.870 0.006 0.000 1.085 219 L CA 1.749 56.588 54.840 -0.003 0.000 0.755 219 L CB -0.426 41.632 42.059 -0.002 0.000 0.904 219 L HN -0.231 nan 8.230 nan 0.000 0.435 220 D N -0.131 120.272 120.400 0.005 0.000 2.126 220 D HA -0.205 4.434 4.640 -0.001 0.000 0.190 220 D C 2.235 178.537 176.300 0.004 0.000 1.001 220 D CA 1.327 55.330 54.000 0.004 0.000 0.841 220 D CB -0.165 40.636 40.800 0.003 0.000 0.949 220 D HN 0.284 nan 8.370 nan 0.000 0.446 221 R N 0.173 120.675 120.500 0.003 0.000 2.105 221 R HA -0.056 4.283 4.340 -0.001 0.000 0.239 221 R C 2.605 178.911 176.300 0.009 0.000 1.135 221 R CA 0.392 56.493 56.100 0.002 0.000 0.967 221 R CB -0.943 29.358 30.300 0.001 0.000 0.861 221 R HN 0.344 nan 8.270 nan 0.000 0.442 222 L N 0.226 121.464 121.223 0.024 0.000 2.141 222 L HA -0.099 4.241 4.340 -0.001 0.000 0.209 222 L C 2.135 179.045 176.870 0.068 0.000 1.094 222 L CA 1.263 56.140 54.840 0.062 0.000 0.763 222 L CB -0.589 41.511 42.059 0.069 0.000 0.908 222 L HN 0.142 nan 8.230 nan 0.000 0.437 223 T N -0.741 113.834 114.554 0.035 0.000 2.962 223 T HA -0.160 4.190 4.350 -0.001 0.000 0.270 223 T C 1.832 176.530 174.700 -0.004 0.000 1.088 223 T CA 0.937 63.052 62.100 0.026 0.000 1.127 223 T CB -0.106 68.768 68.868 0.011 0.000 0.883 223 T HN 0.453 nan 8.240 nan 0.000 0.493 224 Q N 1.039 120.827 119.800 -0.020 0.000 2.084 224 Q HA -0.060 4.279 4.340 -0.001 0.000 0.202 224 Q C 2.592 178.538 176.000 -0.091 0.000 0.978 224 Q CA 1.432 57.209 55.803 -0.043 0.000 0.844 224 Q CB -0.365 28.351 28.738 -0.038 0.000 0.898 224 Q HN 0.448 nan 8.270 nan 0.000 0.426 225 S N 0.208 115.828 115.700 -0.134 0.000 2.355 225 S HA -0.056 4.414 4.470 -0.001 0.000 0.222 225 S C 0.590 174.871 174.600 -0.531 0.000 1.031 225 S CA 0.819 58.811 58.200 -0.346 0.000 0.993 225 S CB -0.022 62.945 63.200 -0.388 0.000 0.859 225 S HN 0.416 nan 8.310 nan 0.000 0.453 226 H N 0.070 119.127 119.070 -0.021 0.000 2.854 226 H HA 0.266 4.822 4.556 -0.001 0.000 0.275 226 H C -2.411 172.898 175.328 -0.032 0.000 1.198 226 H CA -1.844 54.188 56.048 -0.026 0.000 1.489 226 H CB 1.179 30.926 29.762 -0.026 0.000 1.519 226 H HN 0.127 nan 8.280 nan 0.000 0.503 227 P HA -0.135 nan 4.420 nan 0.000 0.221 227 P C 1.704 179.003 177.300 -0.002 0.000 1.145 227 P CA 0.404 63.507 63.100 0.005 0.000 0.795 227 P CB 0.367 32.059 31.700 -0.013 0.000 0.775 228 I N -0.492 120.084 120.570 0.010 0.000 2.335 228 I HA -0.203 3.966 4.170 -0.001 0.000 0.251 228 I C 1.707 177.790 176.117 -0.055 0.000 1.129 228 I CA 1.366 62.644 61.300 -0.037 0.000 1.402 228 I CB -0.885 37.093 38.000 -0.036 0.000 1.069 228 I HN -0.137 nan 8.210 nan 0.000 0.424 229 L N 0.295 121.511 121.223 -0.013 0.000 2.549 229 L HA -0.131 4.208 4.340 -0.001 0.000 0.229 229 L C 1.809 178.662 176.870 -0.027 0.000 1.158 229 L CA 0.384 55.212 54.840 -0.020 0.000 0.842 229 L CB -1.004 41.061 42.059 0.009 0.000 0.952 229 L HN 0.265 nan 8.230 nan 0.000 0.452 230 N N 0.164 118.844 118.700 -0.034 0.000 2.453 230 N HA -0.099 4.640 4.740 -0.001 0.000 0.183 230 N C 1.722 177.201 175.510 -0.051 0.000 1.041 230 N CA 1.051 54.081 53.050 -0.033 0.000 0.900 230 N CB 0.020 38.489 38.487 -0.031 0.000 0.961 230 N HN 0.444 nan 8.380 nan 0.000 0.443 231 M N -0.060 119.477 119.600 -0.105 0.000 2.419 231 M HA 0.063 4.543 4.480 -0.001 0.000 0.264 231 M C 0.228 176.488 176.300 -0.067 0.000 1.082 231 M CA 0.402 55.597 55.300 -0.175 0.000 1.119 231 M CB 0.163 32.497 32.600 -0.443 0.000 1.398 231 M HN -0.075 nan 8.290 nan 0.000 0.453 232 I N 1.490 122.053 120.570 -0.013 0.000 2.517 232 I HA -0.049 4.121 4.170 -0.001 0.000 0.285 232 I C 0.232 176.391 176.117 0.070 0.000 1.106 232 I CA -0.111 61.230 61.300 0.069 0.000 1.402 232 I CB 0.113 38.143 38.000 0.050 0.000 1.399 232 I HN -0.047 nan 8.210 nan 0.000 0.535 233 D N 5.105 125.568 120.400 0.105 0.000 2.280 233 D HA 0.077 4.717 4.640 -0.001 0.000 0.243 233 D C 1.116 177.458 176.300 0.070 0.000 1.129 233 D CA -0.230 53.818 54.000 0.081 0.000 0.848 233 D CB 1.395 42.251 40.800 0.094 0.000 1.107 233 D HN 0.646 nan 8.370 nan 0.000 0.471 234 T N 0.695 115.281 114.554 0.054 0.000 3.081 234 T HA 0.048 4.397 4.350 -0.001 0.000 0.255 234 T C 1.363 176.091 174.700 0.047 0.000 1.113 234 T CA 0.440 62.571 62.100 0.052 0.000 1.082 234 T CB 0.167 69.061 68.868 0.044 0.000 0.939 234 T HN 0.290 nan 8.240 nan 0.000 0.506 235 K N 0.854 121.279 120.400 0.041 0.000 2.305 235 K HA 0.154 4.473 4.320 -0.001 0.000 0.199 235 K C 0.597 177.218 176.600 0.034 0.000 1.047 235 K CA 0.402 56.709 56.287 0.033 0.000 0.976 235 K CB 0.155 32.671 32.500 0.027 0.000 0.765 235 K HN 0.344 nan 8.250 nan 0.000 0.474 236 K N 1.629 122.056 120.400 0.044 0.000 2.270 236 K HA 0.076 4.396 4.320 -0.001 0.000 0.276 236 K C 0.209 176.834 176.600 0.041 0.000 1.023 236 K CA -0.256 56.057 56.287 0.043 0.000 0.955 236 K CB 1.341 33.874 32.500 0.056 0.000 0.975 236 K HN 0.002 nan 8.250 nan 0.000 0.471 237 S N -0.161 115.557 115.700 0.029 0.000 2.726 237 S HA 0.146 4.616 4.470 -0.001 0.000 0.308 237 S C 1.110 175.726 174.600 0.026 0.000 1.115 237 S CA -0.308 57.907 58.200 0.024 0.000 0.965 237 S CB 1.538 64.742 63.200 0.007 0.000 1.145 237 S HN 0.603 nan 8.310 nan 0.000 0.532 238 S N 0.658 116.373 115.700 0.025 0.000 2.469 238 S HA -0.026 4.443 4.470 -0.001 0.000 0.238 238 S C 1.635 176.241 174.600 0.011 0.000 0.998 238 S CA 0.764 58.980 58.200 0.027 0.000 0.957 238 S CB -0.997 62.221 63.200 0.030 0.000 0.764 238 S HN 0.657 nan 8.310 nan 0.000 0.514 239 L N 1.053 122.274 121.223 -0.004 0.000 2.156 239 L HA 0.056 4.395 4.340 -0.001 0.000 0.208 239 L C 2.058 178.916 176.870 -0.020 0.000 1.095 239 L CA 0.830 55.656 54.840 -0.024 0.000 0.770 239 L CB -0.556 41.488 42.059 -0.025 0.000 0.914 239 L HN 0.324 nan 8.230 nan 0.000 0.439 240 N N 0.443 119.145 118.700 0.003 0.000 2.422 240 N HA 0.137 4.876 4.740 -0.001 0.000 0.181 240 N C 0.415 175.949 175.510 0.040 0.000 1.080 240 N CA 0.369 53.427 53.050 0.013 0.000 0.893 240 N CB 0.543 39.040 38.487 0.018 0.000 0.973 240 N HN 0.395 nan 8.380 nan 0.000 0.456 241 I N -2.228 118.376 120.570 0.056 0.000 2.910 241 I HA 0.537 4.706 4.170 -0.001 0.000 0.310 241 I C 0.272 176.495 176.117 0.176 0.000 1.043 241 I CA -0.994 60.360 61.300 0.091 0.000 1.053 241 I CB 2.084 40.116 38.000 0.052 0.000 1.242 241 I HN -0.195 nan 8.210 nan 0.000 0.452 242 S N 1.907 117.724 115.700 0.196 0.000 2.747 242 S HA 0.557 5.026 4.470 -0.001 0.000 0.300 242 S C 1.113 175.712 174.600 -0.002 0.000 1.121 242 S CA -0.247 58.093 58.200 0.233 0.000 0.995 242 S CB 1.002 64.405 63.200 0.337 0.000 1.113 242 S HN 1.066 nan 8.310 nan 0.000 0.547 243 G N -0.618 108.082 108.800 -0.167 0.000 2.537 243 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.220 243 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.220 243 G C 0.419 174.940 174.900 -0.633 0.000 1.111 243 G CA 0.649 45.495 45.100 -0.424 0.000 0.748 243 G HN 0.762 nan 8.290 nan 0.000 0.564 244 Y N 0.096 120.317 120.300 -0.131 0.000 2.468 244 Y HA 0.285 4.833 4.550 -0.002 0.000 0.268 244 Y C 0.830 176.457 175.900 -0.454 0.000 1.177 244 Y CA -0.741 57.225 58.100 -0.224 0.000 1.265 244 Y CB -0.159 38.236 38.460 -0.110 0.000 1.103 244 Y HN 0.130 nan 8.280 nan 0.000 0.522 245 N N -0.699 117.793 118.700 -0.347 0.000 2.404 245 N HA 0.405 5.145 4.740 -0.001 0.000 0.297 245 N C -1.435 173.772 175.510 -0.505 0.000 1.163 245 N CA -0.801 52.011 53.050 -0.398 0.000 0.864 245 N CB 0.871 39.312 38.487 -0.076 0.000 1.247 245 N HN -0.139 nan 8.380 nan 0.000 0.510 246 F N 0.713 120.701 119.950 0.065 0.000 2.434 246 F HA 0.272 4.798 4.527 -0.001 0.000 0.316 246 F C 0.643 176.466 175.800 0.038 0.000 1.222 246 F CA -0.918 57.109 58.000 0.045 0.000 1.207 246 F CB -0.283 38.742 39.000 0.042 0.000 1.466 246 F HN 0.307 nan 8.300 nan 0.000 0.545 247 S N -0.066 115.713 115.700 0.131 0.000 2.593 247 S HA 0.153 4.623 4.470 -0.001 0.000 0.269 247 S C 1.240 175.901 174.600 0.102 0.000 1.334 247 S CA -0.770 57.494 58.200 0.106 0.000 1.015 247 S CB 1.240 64.484 63.200 0.074 0.000 0.912 247 S HN 0.469 nan 8.310 nan 0.000 0.541 248 L N 2.760 124.036 121.223 0.089 0.000 2.042 248 L HA 0.091 4.431 4.340 -0.001 0.000 0.210 248 L C 2.409 179.317 176.870 0.063 0.000 1.076 248 L CA 2.459 57.339 54.840 0.068 0.000 0.749 248 L CB -1.634 40.476 42.059 0.084 0.000 0.893 248 L HN 1.009 nan 8.230 nan 0.000 0.432 249 G N -0.987 107.879 108.800 0.111 0.000 2.476 249 G HA2 -0.353 3.606 3.960 -0.001 0.000 0.218 249 G HA3 -0.353 3.606 3.960 -0.001 0.000 0.218 249 G C 1.626 176.563 174.900 0.062 0.000 1.164 249 G CA 1.167 46.338 45.100 0.118 0.000 0.768 249 G HN 0.664 nan 8.290 nan 0.000 0.560 250 A N 1.060 123.914 122.820 0.057 0.000 1.908 250 A HA 0.211 4.530 4.320 -0.001 0.000 0.218 250 A C 2.839 180.443 177.584 0.033 0.000 1.181 250 A CA 2.535 54.598 52.037 0.043 0.000 0.627 250 A CB -0.833 18.187 19.000 0.034 0.000 0.818 250 A HN 0.911 nan 8.150 nan 0.000 0.445 251 A N -0.735 122.104 122.820 0.032 0.000 1.898 251 A HA 0.048 4.367 4.320 -0.001 0.000 0.216 251 A C 2.227 179.774 177.584 -0.063 0.000 1.181 251 A CA 1.672 53.712 52.037 0.006 0.000 0.620 251 A CB -0.876 18.131 19.000 0.010 0.000 0.819 251 A HN 0.381 nan 8.150 nan 0.000 0.442 252 V N 0.671 120.502 119.914 -0.137 0.000 2.343 252 V HA -0.279 3.840 4.120 -0.001 0.000 0.247 252 V C 2.574 178.541 176.094 -0.211 0.000 1.051 252 V CA 2.366 64.480 62.300 -0.310 0.000 1.036 252 V CB -0.668 30.780 31.823 -0.626 0.000 0.654 252 V HN 0.738 nan 8.190 nan 0.000 0.451 253 K N 0.543 120.893 120.400 -0.084 0.000 2.057 253 K HA -0.196 4.124 4.320 -0.001 0.000 0.207 253 K C 2.145 178.767 176.600 0.035 0.000 1.049 253 K CA 1.719 58.023 56.287 0.029 0.000 0.931 253 K CB -0.312 32.245 32.500 0.095 0.000 0.714 253 K HN 0.407 nan 8.250 nan 0.000 0.440 254 A N 1.011 123.840 122.820 0.014 0.000 1.873 254 A HA -0.047 4.273 4.320 -0.001 0.000 0.215 254 A C 2.451 180.040 177.584 0.007 0.000 1.186 254 A CA 1.798 53.843 52.037 0.013 0.000 0.616 254 A CB -1.343 17.666 19.000 0.014 0.000 0.823 254 A HN 0.558 nan 8.150 nan 0.000 0.442 255 G N -0.399 108.395 108.800 -0.010 0.000 2.450 255 G HA2 -0.047 3.913 3.960 -0.001 0.000 0.220 255 G HA3 -0.047 3.913 3.960 -0.001 0.000 0.220 255 G C 1.684 176.611 174.900 0.046 0.000 1.130 255 G CA 1.496 46.594 45.100 -0.003 0.000 0.760 255 G HN 0.853 nan 8.290 nan 0.000 0.557 256 A N -0.262 122.612 122.820 0.090 0.000 1.978 256 A HA -0.091 4.228 4.320 -0.001 0.000 0.220 256 A C 2.413 180.042 177.584 0.076 0.000 1.170 256 A CA 1.726 53.854 52.037 0.152 0.000 0.636 256 A CB -0.782 18.360 19.000 0.236 0.000 0.810 256 A HN 0.433 nan 8.150 nan 0.000 0.448 257 C N -0.756 118.572 119.300 0.047 0.000 2.539 257 C HA 0.142 4.602 4.460 -0.001 0.000 0.268 257 C C 2.266 177.262 174.990 0.011 0.000 1.395 257 C CA 0.356 59.388 59.018 0.023 0.000 1.757 257 C CB -0.882 26.862 27.740 0.007 0.000 1.851 257 C HN 0.554 nan 8.230 nan 0.000 0.545 258 M N 0.444 120.052 119.600 0.013 0.000 2.561 258 M HA 0.241 4.720 4.480 -0.001 0.000 0.238 258 M C 0.228 176.532 176.300 0.008 0.000 1.131 258 M CA 0.754 56.055 55.300 0.003 0.000 1.046 258 M CB -0.767 31.829 32.600 -0.007 0.000 1.532 258 M HN 0.262 nan 8.290 nan 0.000 0.497 259 L N 0.843 122.076 121.223 0.017 0.000 2.275 259 L HA 0.279 4.619 4.340 -0.001 0.000 0.288 259 L C -0.190 176.688 176.870 0.014 0.000 1.046 259 L CA -0.483 54.367 54.840 0.016 0.000 0.805 259 L CB 0.765 42.838 42.059 0.022 0.000 1.193 259 L HN -0.075 nan 8.230 nan 0.000 0.426 260 D N 3.633 124.039 120.400 0.011 0.000 2.524 260 D HA 0.418 5.058 4.640 -0.001 0.000 0.222 260 D C 0.527 176.833 176.300 0.010 0.000 1.142 260 D CA 0.258 54.265 54.000 0.011 0.000 0.973 260 D CB 1.567 42.372 40.800 0.009 0.000 1.025 260 D HN 0.864 nan 8.370 nan 0.000 0.519 261 G N 0.428 109.235 108.800 0.010 0.000 3.326 261 G HA2 0.215 4.174 3.960 -0.001 0.000 0.138 261 G HA3 0.215 4.174 3.960 -0.001 0.000 0.138 261 G C 0.221 175.123 174.900 0.003 0.000 1.172 261 G CA -0.123 44.981 45.100 0.007 0.000 1.485 261 G HN 0.312 nan 8.290 nan 0.000 0.725 262 G N 0.919 109.719 108.800 -0.000 0.000 4.829 262 G HA2 0.444 4.403 3.960 -0.001 0.000 0.320 262 G HA3 0.444 4.403 3.960 -0.001 0.000 0.320 262 G C 0.180 175.063 174.900 -0.030 0.000 1.445 262 G CA 0.253 45.346 45.100 -0.012 0.000 1.151 262 G HN 0.656 nan 8.290 nan 0.000 0.572 263 N N -0.720 117.966 118.700 -0.024 0.000 2.747 263 N HA -0.159 4.581 4.740 -0.001 0.000 0.249 263 N C 0.316 175.790 175.510 -0.061 0.000 1.107 263 N CA 0.591 53.621 53.050 -0.033 0.000 0.707 263 N CB -1.070 37.393 38.487 -0.040 0.000 1.054 263 N HN 0.465 nan 8.380 nan 0.000 0.555 264 M N 0.746 120.312 119.600 -0.057 0.000 2.217 264 M HA 0.161 4.641 4.480 -0.001 0.000 0.352 264 M C 1.488 177.722 176.300 -0.111 0.000 1.376 264 M CA 0.139 55.385 55.300 -0.091 0.000 1.107 264 M CB 0.377 32.959 32.600 -0.031 0.000 1.723 264 M HN 0.236 nan 8.290 nan 0.000 0.461 265 L N 2.556 123.661 121.223 -0.196 0.000 2.187 265 L HA -0.211 4.128 4.340 -0.001 0.000 0.213 265 L C 1.412 177.967 176.870 -0.524 0.000 1.100 265 L CA 0.972 55.626 54.840 -0.309 0.000 0.765 265 L CB -0.462 41.370 42.059 -0.378 0.000 0.904 265 L HN 0.709 nan 8.230 nan 0.000 0.437 266 E N -0.515 119.415 120.200 -0.450 0.000 2.265 266 E HA -0.152 4.197 4.350 -0.001 0.000 0.196 266 E C 1.900 178.511 176.600 0.019 0.000 0.996 266 E CA 1.442 57.677 56.400 -0.276 0.000 0.832 266 E CB -0.245 29.427 29.700 -0.045 0.000 0.756 266 E HN 0.474 nan 8.360 nan 0.000 0.491 267 T N -1.900 112.674 114.554 0.033 0.000 3.188 267 T HA 0.218 4.567 4.350 -0.001 0.000 0.250 267 T C 0.624 175.459 174.700 0.226 0.000 1.077 267 T CA -0.285 61.900 62.100 0.142 0.000 0.967 267 T CB -0.413 68.514 68.868 0.098 0.000 1.006 267 T HN -0.065 nan 8.240 nan 0.000 0.552 268 I N 2.037 122.725 120.570 0.197 0.000 2.556 268 I HA 0.255 4.424 4.170 -0.001 0.000 0.284 268 I C 0.372 176.597 176.117 0.180 0.000 1.114 268 I CA -0.408 61.007 61.300 0.192 0.000 1.418 268 I CB 0.836 38.935 38.000 0.165 0.000 1.394 268 I HN 0.124 nan 8.210 nan 0.000 0.552 269 K N 5.978 126.409 120.400 0.051 0.000 2.159 269 K HA 0.589 4.909 4.320 -0.001 0.000 0.266 269 K C -1.294 175.189 176.600 -0.194 0.000 0.975 269 K CA -0.595 55.544 56.287 -0.245 0.000 0.865 269 K CB 1.936 34.167 32.500 -0.449 0.000 1.087 269 K HN 0.402 nan 8.250 nan 0.000 0.446 270 V N 3.521 123.282 119.914 -0.254 0.000 2.581 270 V HA 0.633 4.753 4.120 -0.001 0.000 0.303 270 V C -1.061 174.900 176.094 -0.221 0.000 1.041 270 V CA -0.144 62.033 62.300 -0.205 0.000 0.907 270 V CB 1.729 33.451 31.823 -0.168 0.000 0.994 270 V HN 1.017 nan 8.190 nan 0.000 0.442 271 S N 5.029 120.631 115.700 -0.163 0.000 2.632 271 S HA 0.671 5.140 4.470 -0.001 0.000 0.289 271 S C -2.444 172.095 174.600 -0.102 0.000 1.115 271 S CA -1.458 56.660 58.200 -0.136 0.000 0.889 271 S CB 1.859 64.991 63.200 -0.113 0.000 1.116 271 S HN 0.501 nan 8.310 nan 0.000 0.486 272 P HA -0.060 nan 4.420 nan 0.000 0.223 272 P C 1.075 178.345 177.300 -0.050 0.000 1.144 272 P CA 1.041 64.102 63.100 -0.066 0.000 0.783 272 P CB 0.063 31.729 31.700 -0.056 0.000 0.771 273 Q N -1.447 118.328 119.800 -0.043 0.000 2.269 273 Q HA 0.008 4.347 4.340 -0.001 0.000 0.201 273 Q C 1.682 177.676 176.000 -0.008 0.000 0.946 273 Q CA 1.671 57.461 55.803 -0.021 0.000 0.877 273 Q CB -0.710 28.021 28.738 -0.011 0.000 0.963 273 Q HN 0.387 nan 8.270 nan 0.000 0.472 274 T N -3.181 111.356 114.554 -0.028 0.000 3.023 274 T HA 0.176 4.526 4.350 -0.001 0.000 0.253 274 T C 1.729 176.346 174.700 -0.138 0.000 1.038 274 T CA -0.112 61.971 62.100 -0.027 0.000 0.962 274 T CB 0.084 68.964 68.868 0.020 0.000 1.018 274 T HN -0.015 nan 8.240 nan 0.000 0.521 275 M N 2.060 121.586 119.600 -0.123 0.000 2.073 275 M HA -0.191 4.289 4.480 -0.001 0.000 0.258 275 M C 1.289 177.520 176.300 -0.115 0.000 1.070 275 M CA 2.310 57.529 55.300 -0.135 0.000 1.103 275 M CB -0.290 32.249 32.600 -0.102 0.000 1.321 275 M HN 0.075 nan 8.290 nan 0.000 0.405 276 D N -0.304 120.054 120.400 -0.070 0.000 2.144 276 D HA -0.080 4.560 4.640 -0.001 0.000 0.199 276 D C 1.874 178.152 176.300 -0.037 0.000 0.984 276 D CA 1.570 55.544 54.000 -0.044 0.000 0.834 276 D CB -0.622 40.164 40.800 -0.023 0.000 0.955 276 D HN 0.605 nan 8.370 nan 0.000 0.465 277 G N 0.334 109.115 108.800 -0.031 0.000 2.394 277 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.215 277 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.215 277 G C 1.723 176.608 174.900 -0.026 0.000 1.165 277 G CA 0.104 45.222 45.100 0.030 0.000 0.784 277 G HN 0.235 nan 8.290 nan 0.000 0.535 278 I N 0.466 120.874 120.570 -0.269 0.000 2.163 278 I HA -0.169 4.000 4.170 -0.001 0.000 0.243 278 I C 2.708 178.747 176.117 -0.129 0.000 1.085 278 I CA 0.828 61.893 61.300 -0.392 0.000 1.347 278 I CB -0.206 37.449 38.000 -0.575 0.000 1.044 278 I HN 0.123 nan 8.210 nan 0.000 0.408 279 L N 0.428 121.594 121.223 -0.094 0.000 2.083 279 L HA -0.239 4.101 4.340 -0.001 0.000 0.209 279 L C 2.577 179.448 176.870 0.002 0.000 1.083 279 L CA 1.286 56.109 54.840 -0.029 0.000 0.752 279 L CB -0.535 41.507 42.059 -0.028 0.000 0.899 279 L HN 0.180 nan 8.230 nan 0.000 0.433 280 K N -0.051 120.349 120.400 0.001 0.000 2.057 280 K HA -0.122 4.198 4.320 -0.001 0.000 0.207 280 K C 2.188 178.802 176.600 0.023 0.000 1.049 280 K CA 1.610 57.906 56.287 0.015 0.000 0.931 280 K CB -0.167 32.346 32.500 0.022 0.000 0.714 280 K HN 0.024 nan 8.250 nan 0.000 0.440 281 S N 0.188 115.913 115.700 0.043 0.000 2.382 281 S HA -0.043 4.427 4.470 -0.001 0.000 0.228 281 S C 1.797 176.415 174.600 0.029 0.000 1.027 281 S CA 1.304 59.538 58.200 0.057 0.000 0.991 281 S CB -0.288 62.991 63.200 0.132 0.000 0.823 281 S HN 0.270 nan 8.310 nan 0.000 0.469 282 I N 1.365 121.955 120.570 0.033 0.000 2.179 282 I HA -0.183 3.987 4.170 -0.001 0.000 0.242 282 I C 1.945 178.055 176.117 -0.013 0.000 1.088 282 I CA 1.065 62.393 61.300 0.046 0.000 1.357 282 I CB -0.340 37.730 38.000 0.116 0.000 1.051 282 I HN 0.231 nan 8.210 nan 0.000 0.409 283 L N 0.503 121.724 121.223 -0.003 0.000 2.083 283 L HA -0.244 4.096 4.340 -0.001 0.000 0.209 283 L C 2.591 179.411 176.870 -0.083 0.000 1.083 283 L CA 1.361 56.172 54.840 -0.048 0.000 0.752 283 L CB -0.711 41.342 42.059 -0.010 0.000 0.899 283 L HN 0.258 nan 8.230 nan 0.000 0.433 284 K N 0.593 120.960 120.400 -0.054 0.000 2.009 284 K HA -0.171 4.149 4.320 -0.001 0.000 0.210 284 K C 2.008 178.551 176.600 -0.095 0.000 1.049 284 K CA 1.840 58.092 56.287 -0.058 0.000 0.929 284 K CB -0.078 32.405 32.500 -0.028 0.000 0.714 284 K HN 0.104 nan 8.250 nan 0.000 0.440 285 V N 2.045 121.895 119.914 -0.107 0.000 2.392 285 V HA -0.248 3.872 4.120 -0.001 0.000 0.249 285 V C 2.522 178.443 176.094 -0.289 0.000 1.059 285 V CA 2.054 64.257 62.300 -0.163 0.000 1.051 285 V CB -0.620 31.122 31.823 -0.134 0.000 0.658 285 V HN 0.434 nan 8.190 nan 0.000 0.455 286 K N 0.516 120.707 120.400 -0.349 0.000 2.032 286 K HA -0.279 4.041 4.320 -0.001 0.000 0.209 286 K C 2.343 178.732 176.600 -0.352 0.000 1.048 286 K CA 2.129 58.100 56.287 -0.526 0.000 0.927 286 K CB -0.160 31.997 32.500 -0.572 0.000 0.712 286 K HN 0.440 nan 8.250 nan 0.000 0.441 287 K N -0.182 120.087 120.400 -0.219 0.000 2.076 287 K HA -0.050 4.269 4.320 -0.001 0.000 0.204 287 K C 1.994 178.521 176.600 -0.122 0.000 1.051 287 K CA 0.955 57.158 56.287 -0.140 0.000 0.949 287 K CB -0.108 32.336 32.500 -0.092 0.000 0.726 287 K HN 0.190 nan 8.250 nan 0.000 0.443 288 A N 1.165 123.909 122.820 -0.125 0.000 1.940 288 A HA -0.114 4.206 4.320 -0.001 0.000 0.219 288 A C 1.932 179.459 177.584 -0.095 0.000 1.176 288 A CA 1.311 53.292 52.037 -0.093 0.000 0.631 288 A CB -0.337 18.614 19.000 -0.082 0.000 0.814 288 A HN 0.350 nan 8.150 nan 0.000 0.446 289 L N -1.954 119.166 121.223 -0.171 0.000 2.590 289 L HA 0.258 4.597 4.340 -0.001 0.000 0.227 289 L C 1.424 178.213 176.870 -0.135 0.000 1.099 289 L CA 0.421 55.163 54.840 -0.162 0.000 0.872 289 L CB 0.087 41.949 42.059 -0.329 0.000 1.088 289 L HN 0.564 nan 8.230 nan 0.000 0.479 290 G N 1.399 110.096 108.800 -0.170 0.000 2.272 290 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.280 290 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.280 290 G C 0.239 175.067 174.900 -0.120 0.000 1.067 290 G CA 0.004 45.061 45.100 -0.072 0.000 0.902 290 G HN 0.202 nan 8.290 nan 0.000 0.500 291 M N -0.931 118.302 119.600 -0.612 0.000 2.232 291 M HA 0.615 5.095 4.480 -0.001 0.000 0.321 291 M C 0.645 176.681 176.300 -0.439 0.000 1.101 291 M CA 0.335 54.929 55.300 -1.177 0.000 1.181 291 M CB 0.348 31.907 32.600 -1.735 0.000 1.432 291 M HN 0.534 nan 8.290 nan 0.000 0.457 292 F N -0.921 118.979 119.950 -0.084 0.000 2.686 292 F HA 0.651 5.178 4.527 -0.001 0.000 0.311 292 F C -1.234 174.815 175.800 0.415 0.000 1.128 292 F CA -1.552 56.550 58.000 0.170 0.000 0.946 292 F CB 0.685 39.785 39.000 0.167 0.000 1.336 292 F HN 0.220 nan 8.300 nan 0.000 0.457 293 I N 2.088 122.991 120.570 0.555 0.000 2.416 293 I HA 0.200 4.369 4.170 -0.001 0.000 0.288 293 I C 0.572 176.971 176.117 0.470 0.000 1.051 293 I CA -0.004 61.533 61.300 0.395 0.000 1.375 293 I CB 1.126 39.272 38.000 0.243 0.000 1.407 293 I HN 0.704 nan 8.210 nan 0.000 0.516 294 S N 3.851 119.795 115.700 0.406 0.000 2.585 294 S HA 0.083 4.552 4.470 -0.001 0.000 0.273 294 S C 0.917 175.648 174.600 0.218 0.000 1.339 294 S CA -0.405 58.014 58.200 0.365 0.000 1.028 294 S CB 0.581 63.946 63.200 0.275 0.000 0.906 294 S HN 0.509 nan 8.310 nan 0.000 0.528 295 D N 1.033 121.547 120.400 0.190 0.000 2.349 295 D HA 0.062 4.701 4.640 -0.001 0.000 0.215 295 D C 0.668 177.034 176.300 0.110 0.000 1.016 295 D CA 0.448 54.550 54.000 0.171 0.000 0.870 295 D CB 0.104 41.073 40.800 0.281 0.000 0.917 295 D HN 0.635 nan 8.370 nan 0.000 0.524 296 T N -0.375 114.238 114.554 0.100 0.000 2.867 296 T HA 0.495 4.844 4.350 -0.001 0.000 0.282 296 T C -2.586 172.135 174.700 0.035 0.000 1.000 296 T CA -1.782 60.353 62.100 0.060 0.000 1.042 296 T CB 2.683 71.588 68.868 0.062 0.000 0.973 296 T HN -0.208 nan 8.240 nan 0.000 0.465 297 P HA 0.638 nan 4.420 nan 0.000 0.282 297 P C 0.752 178.049 177.300 -0.004 0.000 1.287 297 P CA 0.347 63.443 63.100 -0.008 0.000 0.792 297 P CB 0.519 32.206 31.700 -0.022 0.000 1.163 298 G N -0.521 108.269 108.800 -0.016 0.000 2.445 298 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.212 298 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.212 298 G C -0.742 174.148 174.900 -0.017 0.000 1.217 298 G CA -0.565 44.525 45.100 -0.017 0.000 1.002 298 G HN 0.577 nan 8.290 nan 0.000 0.574 299 E N 0.929 121.121 120.200 -0.014 0.000 2.413 299 E HA 0.309 4.658 4.350 -0.001 0.000 0.263 299 E C 0.614 177.209 176.600 -0.008 0.000 1.015 299 E CA 0.191 56.581 56.400 -0.017 0.000 0.916 299 E CB 0.470 30.156 29.700 -0.024 0.000 0.947 299 E HN 0.402 nan 8.360 nan 0.000 0.440 300 R N 2.156 122.653 120.500 -0.006 0.000 2.357 300 R HA 0.087 4.426 4.340 -0.001 0.000 0.296 300 R C 0.190 176.502 176.300 0.019 0.000 1.052 300 R CA -0.613 55.494 56.100 0.013 0.000 0.988 300 R CB 0.477 30.785 30.300 0.014 0.000 1.025 300 R HN 0.536 nan 8.270 nan 0.000 0.469 301 N N 2.953 121.674 118.700 0.036 0.000 2.399 301 N HA 0.101 4.840 4.740 -0.001 0.000 0.250 301 N C -2.103 173.501 175.510 0.158 0.000 1.272 301 N CA -1.454 51.617 53.050 0.036 0.000 0.928 301 N CB 0.288 38.752 38.487 -0.038 0.000 1.158 301 N HN 0.133 nan 8.380 nan 0.000 0.463 302 P HA -0.188 nan 4.420 nan 0.000 0.217 302 P C 0.847 178.349 177.300 0.338 0.000 1.151 302 P CA 1.348 64.632 63.100 0.306 0.000 0.849 302 P CB -0.161 31.761 31.700 0.371 0.000 0.787 303 Y N 0.896 121.357 120.300 0.268 0.000 2.184 303 Y HA -0.113 4.437 4.550 -0.001 0.000 0.290 303 Y C 2.063 178.026 175.900 0.105 0.000 1.129 303 Y CA 1.417 59.588 58.100 0.117 0.000 1.144 303 Y CB -0.781 37.658 38.460 -0.034 0.000 0.995 303 Y HN -0.024 nan 8.280 nan 0.000 0.513 304 E N -0.206 119.973 120.200 -0.036 0.000 2.085 304 E HA -0.256 4.094 4.350 -0.001 0.000 0.194 304 E C 1.919 178.491 176.600 -0.046 0.000 0.994 304 E CA 1.385 57.719 56.400 -0.110 0.000 0.801 304 E CB -0.254 29.459 29.700 0.021 0.000 0.743 304 E HN 0.419 nan 8.360 nan 0.000 0.453 305 N N 1.061 119.778 118.700 0.027 0.000 2.109 305 N HA -0.113 4.627 4.740 -0.001 0.000 0.188 305 N C 1.744 177.243 175.510 -0.019 0.000 1.034 305 N CA 0.801 53.873 53.050 0.036 0.000 0.846 305 N CB -0.128 38.414 38.487 0.091 0.000 1.010 305 N HN 0.124 nan 8.380 nan 0.000 0.425 306 I N -0.289 120.301 120.570 0.034 0.000 2.208 306 I HA -0.227 3.943 4.170 -0.001 0.000 0.245 306 I C 1.968 178.054 176.117 -0.052 0.000 1.097 306 I CA 0.884 62.202 61.300 0.031 0.000 1.363 306 I CB -0.058 38.065 38.000 0.206 0.000 1.051 306 I HN 0.219 nan 8.210 nan 0.000 0.413 307 L N -0.075 121.078 121.223 -0.117 0.000 2.027 307 L HA -0.250 4.090 4.340 -0.001 0.000 0.206 307 L C 2.323 179.128 176.870 -0.107 0.000 1.074 307 L CA 1.910 56.656 54.840 -0.157 0.000 0.745 307 L CB -1.097 40.751 42.059 -0.351 0.000 0.898 307 L HN 0.297 nan 8.230 nan 0.000 0.433 308 Y N 0.572 120.799 120.300 -0.122 0.000 2.114 308 Y HA -0.348 4.201 4.550 -0.001 0.000 0.282 308 Y C 2.536 178.375 175.900 -0.101 0.000 1.165 308 Y CA 2.409 60.468 58.100 -0.069 0.000 1.148 308 Y CB -0.103 38.335 38.460 -0.035 0.000 0.972 308 Y HN 0.189 nan 8.280 nan 0.000 0.504 309 K N -0.323 120.038 120.400 -0.065 0.000 2.057 309 K HA -0.145 4.174 4.320 -0.001 0.000 0.206 309 K C 2.033 178.527 176.600 -0.177 0.000 1.050 309 K CA 1.807 58.002 56.287 -0.152 0.000 0.935 309 K CB -0.263 32.028 32.500 -0.347 0.000 0.715 309 K HN 0.348 nan 8.250 nan 0.000 0.439 310 I N 0.574 121.050 120.570 -0.157 0.000 2.202 310 I HA -0.317 3.853 4.170 -0.001 0.000 0.242 310 I C 2.134 178.151 176.117 -0.167 0.000 1.091 310 I CA 0.945 62.167 61.300 -0.131 0.000 1.368 310 I CB -0.214 37.730 38.000 -0.094 0.000 1.058 310 I HN 0.212 nan 8.210 nan 0.000 0.410 311 C N 0.328 119.501 119.300 -0.212 0.000 2.472 311 C HA -0.035 4.425 4.460 -0.001 0.000 0.278 311 C C 2.596 177.410 174.990 -0.294 0.000 1.447 311 C CA 0.032 58.913 59.018 -0.227 0.000 1.773 311 C CB -1.111 26.504 27.740 -0.208 0.000 1.793 311 C HN 0.479 nan 8.230 nan 0.000 0.544 312 L N 0.657 121.667 121.223 -0.355 0.000 2.141 312 L HA 0.070 4.409 4.340 -0.001 0.000 0.209 312 L C 0.904 177.655 176.870 -0.198 0.000 1.094 312 L CA 1.621 56.265 54.840 -0.327 0.000 0.763 312 L CB 0.004 41.894 42.059 -0.282 0.000 0.908 312 L HN 0.304 nan 8.230 nan 0.000 0.437 313 S N -1.940 113.665 115.700 -0.158 0.000 2.590 313 S HA 0.451 4.921 4.470 -0.001 0.000 0.286 313 S C 0.448 174.979 174.600 -0.115 0.000 1.147 313 S CA -0.332 57.797 58.200 -0.119 0.000 0.963 313 S CB 0.776 63.923 63.200 -0.088 0.000 1.124 313 S HN 0.207 nan 8.310 nan 0.000 0.458 314 G N 2.075 110.810 108.800 -0.109 0.000 3.094 314 G HA2 0.218 4.177 3.960 -0.001 0.000 0.208 314 G HA3 0.218 4.177 3.960 -0.001 0.000 0.208 314 G C -0.088 174.741 174.900 -0.118 0.000 1.189 314 G CA 0.178 45.212 45.100 -0.110 0.000 0.856 314 G HN 0.638 nan 8.290 nan 0.000 0.510 315 D N -0.852 119.476 120.400 -0.120 0.000 2.337 315 D HA 0.498 5.137 4.640 -0.001 0.000 0.238 315 D C 0.274 176.483 176.300 -0.153 0.000 1.331 315 D CA 0.437 54.349 54.000 -0.146 0.000 0.967 315 D CB 0.539 41.274 40.800 -0.109 0.000 1.382 315 D HN 0.301 nan 8.370 nan 0.000 0.549 316 G N 1.475 110.123 108.800 -0.254 0.000 2.344 316 G HA2 0.152 4.112 3.960 -0.001 0.000 0.282 316 G HA3 0.152 4.112 3.960 -0.001 0.000 0.282 316 G C -1.663 173.069 174.900 -0.281 0.000 1.281 316 G CA -0.897 44.079 45.100 -0.207 0.000 0.877 316 G HN 0.084 nan 8.290 nan 0.000 0.494 317 W N 1.530 122.848 121.300 0.031 0.000 2.338 317 W HA 0.365 5.023 4.660 -0.003 0.000 0.315 317 W C -1.895 174.671 176.519 0.079 0.000 1.005 317 W CA -1.452 55.933 57.345 0.066 0.000 1.380 317 W CB 2.068 31.570 29.460 0.071 0.000 1.235 317 W HN 0.367 nan 8.180 nan 0.000 0.409 318 P HA -0.216 nan 4.420 nan 0.000 0.218 318 P C 0.967 178.306 177.300 0.066 0.000 1.148 318 P CA 1.732 64.885 63.100 0.090 0.000 0.822 318 P CB 0.325 32.034 31.700 0.014 0.000 0.784 319 Y N -0.498 119.886 120.300 0.140 0.000 2.436 319 Y HA 0.072 4.621 4.550 -0.001 0.000 0.288 319 Y C 2.167 178.133 175.900 0.111 0.000 1.112 319 Y CA 0.467 58.642 58.100 0.126 0.000 1.220 319 Y CB -0.189 38.352 38.460 0.134 0.000 1.073 319 Y HN -0.097 nan 8.280 nan 0.000 0.552 320 I N -4.077 116.663 120.570 0.282 0.000 4.655 320 I HA 0.515 4.684 4.170 -0.001 0.000 0.333 320 I C 0.750 176.921 176.117 0.089 0.000 1.312 320 I CA -0.641 60.755 61.300 0.160 0.000 1.270 320 I CB -0.306 37.764 38.000 0.117 0.000 1.318 320 I HN -0.170 nan 8.210 nan 0.000 0.456 321 A N 1.014 123.931 122.820 0.162 0.000 2.313 321 A HA 0.634 4.954 4.320 -0.001 0.000 0.261 321 A C 0.479 178.108 177.584 0.074 0.000 1.090 321 A CA 0.085 52.196 52.037 0.124 0.000 0.807 321 A CB 0.161 19.359 19.000 0.331 0.000 1.055 321 A HN 0.321 nan 8.150 nan 0.000 0.492 322 S N -0.668 115.058 115.700 0.043 0.000 2.516 322 S HA 0.197 4.667 4.470 -0.001 0.000 0.282 322 S C 0.770 175.393 174.600 0.039 0.000 1.286 322 S CA -0.136 58.076 58.200 0.021 0.000 1.066 322 S CB -0.170 63.033 63.200 0.004 0.000 0.884 322 S HN 0.576 nan 8.310 nan 0.000 0.491 323 R N 2.119 122.631 120.500 0.021 0.000 2.543 323 R HA 0.114 4.454 4.340 -0.001 0.000 0.323 323 R C 1.568 177.867 176.300 -0.002 0.000 1.002 323 R CA 0.502 56.614 56.100 0.020 0.000 1.106 323 R CB 0.222 30.538 30.300 0.028 0.000 1.280 323 R HN 0.787 nan 8.270 nan 0.000 0.549 324 T N -3.379 111.166 114.554 -0.014 0.000 3.081 324 T HA 0.081 4.431 4.350 -0.001 0.000 0.255 324 T C 1.576 176.257 174.700 -0.032 0.000 1.113 324 T CA 0.512 62.592 62.100 -0.034 0.000 1.082 324 T CB 0.260 69.097 68.868 -0.051 0.000 0.939 324 T HN -0.121 nan 8.240 nan 0.000 0.506 325 S N 0.821 116.509 115.700 -0.020 0.000 2.575 325 S HA 0.343 4.812 4.470 -0.001 0.000 0.215 325 S C 0.565 175.150 174.600 -0.026 0.000 0.966 325 S CA -0.390 57.797 58.200 -0.022 0.000 0.911 325 S CB -0.207 62.985 63.200 -0.013 0.000 0.780 325 S HN 0.443 nan 8.310 nan 0.000 0.514 326 I N 4.046 124.600 120.570 -0.026 0.000 2.533 326 I HA 0.082 4.251 4.170 -0.001 0.000 0.284 326 I C 1.033 177.121 176.117 -0.049 0.000 1.109 326 I CA 0.237 61.514 61.300 -0.038 0.000 1.412 326 I CB -0.305 37.671 38.000 -0.040 0.000 1.396 326 I HN 0.135 nan 8.210 nan 0.000 0.543 327 T N 2.441 116.960 114.554 -0.058 0.000 2.907 327 T HA 0.747 5.096 4.350 -0.001 0.000 0.284 327 T C 0.308 174.951 174.700 -0.094 0.000 1.004 327 T CA -0.051 62.010 62.100 -0.065 0.000 1.063 327 T CB 1.812 70.647 68.868 -0.056 0.000 0.992 327 T HN 1.225 nan 8.240 nan 0.000 0.483 328 G N 1.823 110.556 108.800 -0.110 0.000 2.663 328 G HA2 0.045 4.005 3.960 -0.001 0.000 0.686 328 G HA3 0.045 4.005 3.960 -0.001 0.000 0.686 328 G C -0.865 173.885 174.900 -0.250 0.000 1.288 328 G CA -1.142 43.853 45.100 -0.174 0.000 0.836 328 G HN 0.838 nan 8.290 nan 0.000 0.584 329 R N 0.028 120.260 120.500 -0.446 0.000 2.596 329 R HA 0.761 5.101 4.340 -0.001 0.000 0.267 329 R C 1.745 177.631 176.300 -0.690 0.000 1.026 329 R CA -0.074 55.607 56.100 -0.699 0.000 1.087 329 R CB 0.730 30.085 30.300 -1.574 0.000 1.132 329 R HN 1.214 nan 8.270 nan 0.000 0.531 330 A N 0.956 123.345 122.820 -0.718 0.000 1.972 330 A HA -0.167 4.152 4.320 -0.001 0.000 0.219 330 A C 1.629 179.033 177.584 -0.301 0.000 1.169 330 A CA 1.619 53.276 52.037 -0.634 0.000 0.635 330 A CB -0.653 17.660 19.000 -1.145 0.000 0.810 330 A HN 0.866 nan 8.150 nan 0.000 0.446 331 W N -0.296 120.952 121.300 -0.087 0.000 2.800 331 W HA 0.255 4.916 4.660 0.001 0.000 0.249 331 W C 1.163 177.664 176.519 -0.031 0.000 1.294 331 W CA 0.661 57.981 57.345 -0.041 0.000 1.402 331 W CB -0.198 29.268 29.460 0.011 0.000 1.126 331 W HN 0.344 nan 8.180 nan 0.000 0.652 332 E N 0.731 120.715 120.200 -0.359 0.000 2.190 332 E HA -0.086 4.263 4.350 -0.001 0.000 0.191 332 E C 1.596 178.108 176.600 -0.145 0.000 0.978 332 E CA 0.769 57.050 56.400 -0.198 0.000 0.839 332 E CB -0.146 29.390 29.700 -0.273 0.000 0.787 332 E HN 0.202 nan 8.360 nan 0.000 0.473 333 N N 0.056 118.640 118.700 -0.193 0.000 2.424 333 N HA 0.006 4.746 4.740 -0.001 0.000 0.178 333 N C -0.247 175.194 175.510 -0.114 0.000 1.060 333 N CA 0.655 53.614 53.050 -0.152 0.000 0.901 333 N CB 0.817 39.195 38.487 -0.182 0.000 0.979 333 N HN -0.077 nan 8.380 nan 0.000 0.451 334 T N 1.152 115.645 114.554 -0.101 0.000 2.847 334 T HA 0.496 4.846 4.350 -0.001 0.000 0.291 334 T C -0.286 174.401 174.700 -0.021 0.000 0.998 334 T CA -0.701 61.359 62.100 -0.067 0.000 0.967 334 T CB 1.998 70.815 68.868 -0.085 0.000 0.954 334 T HN -0.059 nan 8.240 nan 0.000 0.441 335 V N 0.984 120.891 119.914 -0.011 0.000 2.914 335 V HA 0.898 5.017 4.120 -0.001 0.000 0.314 335 V C -0.612 175.488 176.094 0.009 0.000 1.084 335 V CA -0.975 61.334 62.300 0.015 0.000 0.963 335 V CB 1.958 33.792 31.823 0.019 0.000 1.025 335 V HN 0.537 nan 8.190 nan 0.000 0.432 336 V N 2.708 122.634 119.914 0.019 0.000 2.370 336 V HA 0.477 4.597 4.120 -0.001 0.000 0.279 336 V C -0.554 175.547 176.094 0.012 0.000 1.029 336 V CA 0.039 62.347 62.300 0.014 0.000 0.870 336 V CB 1.201 33.035 31.823 0.020 0.000 0.984 336 V HN 1.123 nan 8.190 nan 0.000 0.451 337 D N 4.875 125.279 120.400 0.006 0.000 2.414 337 D HA 0.640 5.279 4.640 -0.001 0.000 0.232 337 D C -0.781 175.521 176.300 0.004 0.000 1.070 337 D CA -0.100 53.903 54.000 0.005 0.000 0.839 337 D CB 1.353 42.153 40.800 0.001 0.000 1.079 337 D HN 0.458 nan 8.370 nan 0.000 0.521 365 L N 2.211 123.416 121.223 -0.030 0.000 2.439 365 L HA 0.503 4.842 4.340 -0.001 0.000 0.269 365 L C 1.751 178.610 176.870 -0.018 0.000 1.179 365 L CA 0.074 54.890 54.840 -0.039 0.000 0.828 365 L CB 0.956 42.974 42.059 -0.068 0.000 1.106 365 L HN 0.763 nan 8.230 nan 0.000 0.467 366 T N -0.529 114.015 114.554 -0.017 0.000 2.766 366 T HA 0.027 4.377 4.350 -0.001 0.000 0.295 366 T C 1.097 175.815 174.700 0.030 0.000 1.024 366 T CA 0.009 62.119 62.100 0.016 0.000 1.018 366 T CB 0.162 69.036 68.868 0.010 0.000 1.002 366 T HN 0.494 nan 8.240 nan 0.000 0.532 367 Y N 1.317 121.598 120.300 -0.032 0.000 2.114 367 Y HA -0.185 4.364 4.550 -0.001 0.000 0.282 367 Y C 2.753 178.630 175.900 -0.038 0.000 1.165 367 Y CA 2.218 60.299 58.100 -0.032 0.000 1.148 367 Y CB -1.000 37.445 38.460 -0.025 0.000 0.972 367 Y HN 0.699 nan 8.280 nan 0.000 0.504 368 S N 0.095 115.682 115.700 -0.188 0.000 2.359 368 S HA -0.267 4.202 4.470 -0.001 0.000 0.224 368 S C 1.884 176.330 174.600 -0.256 0.000 1.035 368 S CA 1.661 59.703 58.200 -0.262 0.000 1.018 368 S CB -0.342 62.793 63.200 -0.109 0.000 0.876 368 S HN 0.619 nan 8.310 nan 0.000 0.448 369 Q N 0.345 120.040 119.800 -0.175 0.000 2.084 369 Q HA -0.014 4.325 4.340 -0.001 0.000 0.202 369 Q C 2.226 178.124 176.000 -0.169 0.000 0.978 369 Q CA 1.053 56.763 55.803 -0.156 0.000 0.844 369 Q CB -0.299 28.373 28.738 -0.111 0.000 0.898 369 Q HN 0.457 nan 8.270 nan 0.000 0.426 370 L N -0.137 120.982 121.223 -0.174 0.000 2.083 370 L HA -0.197 4.142 4.340 -0.001 0.000 0.209 370 L C 2.425 179.179 176.870 -0.194 0.000 1.083 370 L CA 0.954 55.701 54.840 -0.155 0.000 0.752 370 L CB -0.201 41.799 42.059 -0.098 0.000 0.899 370 L HN 0.356 nan 8.230 nan 0.000 0.433 371 M N -1.123 118.289 119.600 -0.313 0.000 2.132 371 M HA -0.185 4.295 4.480 -0.001 0.000 0.263 371 M C 2.249 178.436 176.300 -0.188 0.000 1.065 371 M CA 1.914 57.041 55.300 -0.288 0.000 1.122 371 M CB -0.390 31.947 32.600 -0.437 0.000 1.365 371 M HN 0.231 nan 8.290 nan 0.000 0.411 372 T N 1.098 115.540 114.554 -0.186 0.000 2.684 372 T HA -0.175 4.174 4.350 -0.001 0.000 0.267 372 T C 1.636 176.269 174.700 -0.111 0.000 1.036 372 T CA 1.416 63.434 62.100 -0.136 0.000 1.148 372 T CB -0.434 68.351 68.868 -0.137 0.000 0.863 372 T HN 0.284 nan 8.240 nan 0.000 0.436 373 L N 1.250 122.400 121.223 -0.121 0.000 2.017 373 L HA -0.041 4.299 4.340 -0.001 0.000 0.208 373 L C 2.219 179.035 176.870 -0.090 0.000 1.073 373 L CA 1.809 56.582 54.840 -0.112 0.000 0.745 373 L CB -0.525 41.454 42.059 -0.133 0.000 0.894 373 L HN -0.028 nan 8.230 nan 0.000 0.432 374 K N -0.116 120.232 120.400 -0.087 0.000 2.032 374 K HA -0.188 4.131 4.320 -0.001 0.000 0.209 374 K C 1.860 178.432 176.600 -0.047 0.000 1.048 374 K CA 1.883 58.133 56.287 -0.062 0.000 0.927 374 K CB -0.611 31.853 32.500 -0.061 0.000 0.712 374 K HN 0.429 nan 8.250 nan 0.000 0.441 375 D N 0.466 120.833 120.400 -0.055 0.000 2.117 375 D HA -0.070 4.569 4.640 -0.001 0.000 0.198 375 D C 1.822 178.104 176.300 -0.030 0.000 0.982 375 D CA 1.213 55.190 54.000 -0.038 0.000 0.828 375 D CB -0.194 40.578 40.800 -0.046 0.000 0.967 375 D HN 0.173 nan 8.370 nan 0.000 0.464 376 A N 0.906 123.701 122.820 -0.043 0.000 1.940 376 A HA -0.177 4.142 4.320 -0.001 0.000 0.219 376 A C 2.065 179.631 177.584 -0.031 0.000 1.176 376 A CA 1.301 53.316 52.037 -0.037 0.000 0.631 376 A CB -0.441 18.529 19.000 -0.051 0.000 0.814 376 A HN 0.100 nan 8.150 nan 0.000 0.446 377 M N -0.282 119.297 119.600 -0.034 0.000 2.279 377 M HA -0.048 4.431 4.480 -0.001 0.000 0.264 377 M C 1.868 178.164 176.300 -0.005 0.000 1.062 377 M CA 0.952 56.237 55.300 -0.025 0.000 1.099 377 M CB -1.387 31.196 32.600 -0.028 0.000 1.394 377 M HN 0.403 nan 8.290 nan 0.000 0.426 378 L N -0.369 120.858 121.223 0.006 0.000 2.349 378 L HA -0.225 4.115 4.340 -0.001 0.000 0.220 378 L C 2.530 179.441 176.870 0.068 0.000 1.130 378 L CA 0.916 55.779 54.840 0.038 0.000 0.791 378 L CB -0.713 41.364 42.059 0.031 0.000 0.918 378 L HN 0.451 nan 8.230 nan 0.000 0.444 379 Q N 0.567 120.390 119.800 0.040 0.000 2.172 379 Q HA -0.064 4.276 4.340 -0.001 0.000 0.200 379 Q C 0.908 176.922 176.000 0.023 0.000 0.964 379 Q CA 0.333 56.165 55.803 0.049 0.000 0.855 379 Q CB 0.164 28.912 28.738 0.017 0.000 0.918 379 Q HN 0.446 nan 8.270 nan 0.000 0.444 380 L N 2.367 123.575 121.223 -0.025 0.000 2.485 380 L HA -0.026 4.313 4.340 -0.001 0.000 0.275 380 L C 0.139 176.840 176.870 -0.281 0.000 1.207 380 L CA -0.214 54.561 54.840 -0.108 0.000 0.855 380 L CB 0.139 42.148 42.059 -0.082 0.000 1.114 380 L HN 0.088 nan 8.230 nan 0.000 0.485 381 D N 4.687 124.799 120.400 -0.480 0.000 2.411 381 D HA 0.181 4.820 4.640 -0.001 0.000 0.225 381 D C -1.722 174.285 176.300 -0.489 0.000 1.156 381 D CA -2.148 51.275 54.000 -0.962 0.000 0.874 381 D CB 1.440 41.771 40.800 -0.782 0.000 1.034 381 D HN 0.169 nan 8.370 nan 0.000 0.502 382 P HA -0.038 nan 4.420 nan 0.000 0.228 382 P C 0.101 177.325 177.300 -0.126 0.000 1.151 382 P CA 0.911 63.918 63.100 -0.154 0.000 0.770 382 P CB 0.238 31.902 31.700 -0.060 0.000 0.786 383 N N -1.060 117.548 118.700 -0.154 0.000 2.356 383 N HA 0.143 4.882 4.740 -0.001 0.000 0.178 383 N C 0.655 176.103 175.510 -0.103 0.000 1.075 383 N CA -0.122 52.874 53.050 -0.090 0.000 0.889 383 N CB -0.058 38.407 38.487 -0.036 0.000 0.999 383 N HN 0.048 nan 8.380 nan 0.000 0.464 384 A N 1.167 123.899 122.820 -0.146 0.000 2.304 384 A HA 0.183 4.502 4.320 -0.001 0.000 0.271 384 A C 0.259 177.770 177.584 -0.122 0.000 1.091 384 A CA -0.456 51.504 52.037 -0.129 0.000 0.812 384 A CB 0.347 19.252 19.000 -0.159 0.000 1.056 384 A HN 0.140 nan 8.150 nan 0.000 0.489 385 K N 0.672 121.004 120.400 -0.114 0.000 2.447 385 K HA 0.199 4.518 4.320 -0.001 0.000 0.281 385 K C -0.981 175.537 176.600 -0.137 0.000 1.031 385 K CA 0.709 56.913 56.287 -0.139 0.000 1.019 385 K CB 0.056 32.493 32.500 -0.106 0.000 0.918 385 K HN 0.598 nan 8.250 nan 0.000 0.476 386 T N 4.667 119.120 114.554 -0.168 0.000 2.949 386 T HA 0.223 4.573 4.350 -0.001 0.000 0.300 386 T C -1.234 173.419 174.700 -0.077 0.000 0.988 386 T CA -0.551 61.503 62.100 -0.076 0.000 0.993 386 T CB 0.262 69.095 68.868 -0.059 0.000 0.984 386 T HN 0.502 nan 8.240 nan 0.000 0.442 387 W N 3.344 124.639 121.300 -0.007 0.000 2.313 387 W HA 0.701 5.360 4.660 -0.001 0.000 0.328 387 W C 0.272 176.829 176.519 0.062 0.000 1.197 387 W CA -0.721 56.657 57.345 0.054 0.000 1.235 387 W CB 0.949 30.479 29.460 0.116 0.000 1.158 387 W HN 0.384 nan 8.180 nan 0.000 0.578 388 M N 2.407 122.187 119.600 0.301 0.000 2.518 388 M HA 0.411 4.890 4.480 -0.001 0.000 0.300 388 M C -1.843 174.592 176.300 0.225 0.000 1.175 388 M CA -0.352 55.072 55.300 0.207 0.000 0.890 388 M CB 2.142 34.813 32.600 0.119 0.000 1.710 388 M HN 0.527 nan 8.290 nan 0.000 0.453 389 D N 2.582 123.066 120.400 0.141 0.000 2.654 389 D HA 0.641 5.280 4.640 -0.001 0.000 0.231 389 D C -1.693 174.642 176.300 0.058 0.000 1.239 389 D CA -0.557 53.520 54.000 0.128 0.000 0.790 389 D CB 2.103 42.967 40.800 0.106 0.000 1.480 389 D HN 0.666 nan 8.370 nan 0.000 0.442 390 I N -1.270 119.345 120.570 0.074 0.000 2.934 390 I HA 0.705 4.874 4.170 -0.001 0.000 0.306 390 I C -1.030 175.147 176.117 0.100 0.000 1.110 390 I CA -0.737 60.592 61.300 0.048 0.000 1.019 390 I CB 2.246 40.271 38.000 0.042 0.000 1.227 390 I HN 0.135 nan 8.210 nan 0.000 0.434 391 E N 2.325 122.592 120.200 0.111 0.000 2.221 391 E HA 0.692 5.042 4.350 -0.001 0.000 0.268 391 E C -0.010 176.703 176.600 0.189 0.000 0.933 391 E CA -0.007 56.509 56.400 0.194 0.000 0.809 391 E CB 1.889 31.737 29.700 0.247 0.000 1.190 391 E HN 1.119 nan 8.360 nan 0.000 0.406 392 G N 1.816 110.776 108.800 0.267 0.000 2.746 392 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.685 392 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.685 392 G C -0.481 174.520 174.900 0.169 0.000 1.350 392 G CA -0.744 44.500 45.100 0.239 0.000 0.837 392 G HN 0.450 nan 8.290 nan 0.000 0.564 393 R N 1.330 121.921 120.500 0.152 0.000 2.679 393 R HA 0.310 4.650 4.340 -0.001 0.000 0.269 393 R C -1.000 175.360 176.300 0.101 0.000 1.076 393 R CA -0.892 55.277 56.100 0.115 0.000 1.160 393 R CB 0.780 31.142 30.300 0.105 0.000 1.054 393 R HN 0.415 nan 8.270 nan 0.000 0.507 394 P HA -0.171 nan 4.420 nan 0.000 0.223 394 P C 0.537 177.880 177.300 0.071 0.000 1.151 394 P CA 1.288 64.431 63.100 0.073 0.000 0.787 394 P CB 0.167 31.905 31.700 0.063 0.000 0.788 395 E N -0.105 120.138 120.200 0.071 0.000 2.481 395 E HA -0.068 4.282 4.350 -0.001 0.000 0.195 395 E C -0.142 176.505 176.600 0.078 0.000 1.047 395 E CA 0.594 57.035 56.400 0.067 0.000 0.867 395 E CB -0.357 29.379 29.700 0.059 0.000 0.858 395 E HN 0.074 nan 8.360 nan 0.000 0.513 396 D N 1.420 121.876 120.400 0.094 0.000 2.968 396 D HA 0.231 4.870 4.640 -0.001 0.000 0.301 396 D C -2.724 173.655 176.300 0.132 0.000 1.226 396 D CA -1.844 52.223 54.000 0.112 0.000 0.746 396 D CB 1.049 41.924 40.800 0.125 0.000 1.278 396 D HN -0.022 nan 8.370 nan 0.000 0.544 397 P HA 0.099 nan 4.420 nan 0.000 0.279 397 P C 0.869 178.235 177.300 0.109 0.000 1.239 397 P CA -0.393 62.768 63.100 0.102 0.000 0.789 397 P CB 2.001 33.739 31.700 0.063 0.000 0.933 398 V N -0.591 119.393 119.914 0.117 0.000 3.570 398 V HA 0.348 4.467 4.120 -0.001 0.000 0.257 398 V C 0.559 176.716 176.094 0.105 0.000 1.272 398 V CA 0.538 62.918 62.300 0.134 0.000 1.079 398 V CB -0.323 31.620 31.823 0.200 0.000 0.829 398 V HN 0.511 nan 8.190 nan 0.000 0.454 399 E N 0.181 120.397 120.200 0.027 0.000 2.275 399 E HA 0.688 5.037 4.350 -0.001 0.000 0.270 399 E C -1.742 174.727 176.600 -0.219 0.000 0.882 399 E CA -0.703 55.650 56.400 -0.078 0.000 0.758 399 E CB 2.478 32.255 29.700 0.127 0.000 1.195 399 E HN 0.477 nan 8.360 nan 0.000 0.419 400 I N 2.590 122.841 120.570 -0.532 0.000 2.647 400 I HA 0.707 4.876 4.170 -0.001 0.000 0.295 400 I C -0.794 175.083 176.117 -0.400 0.000 1.078 400 I CA -0.788 60.212 61.300 -0.499 0.000 1.048 400 I CB 2.119 39.651 38.000 -0.781 0.000 1.239 400 I HN 0.586 nan 8.210 nan 0.000 0.421 401 A N 6.226 128.963 122.820 -0.140 0.000 2.486 401 A HA 0.920 5.239 4.320 -0.001 0.000 0.300 401 A C -1.603 176.020 177.584 0.064 0.000 1.048 401 A CA -0.382 51.646 52.037 -0.014 0.000 0.696 401 A CB 1.513 20.471 19.000 -0.070 0.000 1.278 401 A HN 0.524 nan 8.150 nan 0.000 0.405 402 L N 1.406 122.713 121.223 0.140 0.000 2.370 402 L HA 0.707 5.047 4.340 -0.001 0.000 0.266 402 L C -1.077 175.955 176.870 0.270 0.000 1.002 402 L CA -0.464 54.486 54.840 0.184 0.000 0.818 402 L CB 2.141 44.289 42.059 0.149 0.000 1.325 402 L HN 0.709 nan 8.230 nan 0.000 0.418 403 Y N 1.428 121.803 120.300 0.126 0.000 2.362 403 Y HA 0.437 4.986 4.550 -0.001 0.000 0.326 403 Y C -1.335 174.649 175.900 0.140 0.000 1.083 403 Y CA -0.899 57.264 58.100 0.106 0.000 1.073 403 Y CB 1.721 40.184 38.460 0.004 0.000 1.211 403 Y HN 0.603 nan 8.280 nan 0.000 0.433 404 Q N 8.751 128.404 119.800 -0.246 0.000 2.466 404 Q HA 0.277 4.617 4.340 -0.001 0.000 0.242 404 Q C -2.033 173.596 176.000 -0.619 0.000 1.046 404 Q CA -2.049 53.544 55.803 -0.351 0.000 0.841 404 Q CB 1.742 30.385 28.738 -0.159 0.000 1.193 404 Q HN 0.494 nan 8.270 nan 0.000 0.508 405 P HA -0.161 nan 4.420 nan 0.000 0.220 405 P C 1.292 178.470 177.300 -0.204 0.000 1.148 405 P CA 1.055 63.752 63.100 -0.673 0.000 0.803 405 P CB 0.486 31.977 31.700 -0.348 0.000 0.782 406 S N 0.240 115.848 115.700 -0.153 0.000 2.371 406 S HA -0.081 4.388 4.470 -0.001 0.000 0.224 406 S C 2.009 176.591 174.600 -0.030 0.000 1.029 406 S CA 1.827 59.989 58.200 -0.064 0.000 0.978 406 S CB -0.608 62.558 63.200 -0.056 0.000 0.833 406 S HN 0.297 nan 8.310 nan 0.000 0.466 407 S N -0.779 114.895 115.700 -0.042 0.000 2.503 407 S HA 0.398 4.867 4.470 -0.001 0.000 0.215 407 S C 1.526 176.150 174.600 0.040 0.000 1.003 407 S CA 0.747 58.950 58.200 0.004 0.000 0.910 407 S CB 0.037 63.233 63.200 -0.006 0.000 0.790 407 S HN 1.149 nan 8.310 nan 0.000 0.514 408 G N 1.333 110.155 108.800 0.037 0.000 2.136 408 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.242 408 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.242 408 G C 0.269 175.312 174.900 0.239 0.000 0.989 408 G CA 0.025 45.226 45.100 0.169 0.000 0.682 408 G HN 1.343 nan 8.290 nan 0.000 0.522 409 C N -0.109 119.281 119.300 0.149 0.000 2.398 409 C HA 0.978 5.437 4.460 -0.001 0.000 0.364 409 C C 0.146 175.299 174.990 0.272 0.000 1.219 409 C CA -1.138 57.967 59.018 0.145 0.000 2.312 409 C CB 0.208 27.962 27.740 0.025 0.000 2.428 409 C HN 1.336 nan 8.230 nan 0.000 0.564 410 Y N -0.123 120.239 120.300 0.104 0.000 2.524 410 Y HA 0.828 5.377 4.550 -0.001 0.000 0.347 410 Y C -1.023 174.931 175.900 0.090 0.000 1.005 410 Y CA -1.775 56.389 58.100 0.107 0.000 1.025 410 Y CB 0.758 39.232 38.460 0.023 0.000 1.275 410 Y HN 0.699 nan 8.280 nan 0.000 0.460 411 I N 4.086 124.771 120.570 0.192 0.000 2.359 411 I HA 0.346 4.516 4.170 -0.001 0.000 0.294 411 I C -0.720 175.595 176.117 0.330 0.000 0.987 411 I CA -0.524 60.888 61.300 0.188 0.000 1.225 411 I CB 1.332 39.448 38.000 0.193 0.000 1.366 411 I HN 0.822 nan 8.210 nan 0.000 0.466 412 H N 7.739 126.917 119.070 0.180 0.000 3.149 412 H HA 0.443 4.999 4.556 -0.001 0.000 0.334 412 H C -1.832 173.440 175.328 -0.094 0.000 1.000 412 H CA -0.543 55.508 56.048 0.005 0.000 1.415 412 H CB 1.536 31.375 29.762 0.127 0.000 1.819 412 H HN 0.556 nan 8.280 nan 0.000 0.486 413 F N 2.802 122.340 119.950 -0.686 0.000 2.789 413 F HA 0.701 5.228 4.527 -0.001 0.000 0.319 413 F C -2.311 172.905 175.800 -0.973 0.000 1.168 413 F CA -1.099 56.379 58.000 -0.870 0.000 0.934 413 F CB 1.225 39.999 39.000 -0.378 0.000 1.375 413 F HN 0.154 nan 8.300 nan 0.000 0.480 414 F N 0.500 120.399 119.950 -0.085 0.000 2.611 414 F HA 0.789 5.315 4.527 -0.001 0.000 0.324 414 F C -0.306 175.512 175.800 0.030 0.000 1.061 414 F CA -0.932 56.995 58.000 -0.121 0.000 0.954 414 F CB 2.251 41.147 39.000 -0.173 0.000 1.301 414 F HN 0.670 nan 8.300 nan 0.000 0.482 415 R N 0.838 121.467 120.500 0.216 0.000 2.651 415 R HA 0.347 4.687 4.340 -0.001 0.000 0.278 415 R C -1.384 174.987 176.300 0.118 0.000 1.010 415 R CA -0.653 55.545 56.100 0.163 0.000 0.896 415 R CB 1.951 32.340 30.300 0.149 0.000 1.211 415 R HN 0.786 nan 8.270 nan 0.000 0.456 416 E N 4.539 124.793 120.200 0.089 0.000 2.338 416 E HA 0.191 4.540 4.350 -0.001 0.000 0.272 416 E C -2.063 174.553 176.600 0.026 0.000 1.029 416 E CA -1.671 54.755 56.400 0.043 0.000 0.872 416 E CB 1.109 30.853 29.700 0.074 0.000 1.015 416 E HN 0.379 nan 8.360 nan 0.000 0.417 417 P HA 0.067 nan 4.420 nan 0.000 0.277 417 P C 0.019 177.329 177.300 0.016 0.000 1.240 417 P CA -0.253 62.856 63.100 0.016 0.000 0.798 417 P CB 1.286 32.990 31.700 0.008 0.000 0.979 418 T N -0.828 113.757 114.554 0.052 0.000 2.852 418 T HA -0.050 4.299 4.350 -0.001 0.000 0.256 418 T C 0.555 175.289 174.700 0.058 0.000 1.038 418 T CA 1.279 63.407 62.100 0.048 0.000 1.141 418 T CB -0.516 68.383 68.868 0.052 0.000 0.869 418 T HN 0.464 nan 8.240 nan 0.000 0.439 419 D N 1.494 121.947 120.400 0.090 0.000 2.468 419 D HA 0.141 4.780 4.640 -0.001 0.000 0.218 419 D C 0.785 177.172 176.300 0.145 0.000 1.155 419 D CA -0.390 53.673 54.000 0.106 0.000 0.924 419 D CB 0.647 41.514 40.800 0.113 0.000 1.029 419 D HN -0.029 nan 8.370 nan 0.000 0.515 420 L N 4.273 125.563 121.223 0.112 0.000 2.201 420 L HA 0.001 4.340 4.340 -0.001 0.000 0.212 420 L C 2.054 179.044 176.870 0.200 0.000 1.105 420 L CA 1.539 56.462 54.840 0.138 0.000 0.775 420 L CB -0.271 41.830 42.059 0.069 0.000 0.913 420 L HN 0.273 nan 8.230 nan 0.000 0.440 421 K N -1.019 119.468 120.400 0.145 0.000 2.026 421 K HA -0.257 4.063 4.320 -0.001 0.000 0.208 421 K C 2.219 178.904 176.600 0.142 0.000 1.048 421 K CA 1.733 58.095 56.287 0.126 0.000 0.929 421 K CB -0.084 32.470 32.500 0.091 0.000 0.713 421 K HN 0.285 nan 8.250 nan 0.000 0.439 422 Q N -0.053 119.839 119.800 0.153 0.000 2.123 422 Q HA -0.111 4.228 4.340 -0.001 0.000 0.199 422 Q C 1.734 177.839 176.000 0.174 0.000 0.966 422 Q CA 1.397 57.286 55.803 0.142 0.000 0.845 422 Q CB -0.381 28.436 28.738 0.131 0.000 0.907 422 Q HN 0.380 nan 8.270 nan 0.000 0.439 423 F N 0.990 121.001 119.950 0.102 0.000 2.120 423 F HA -0.245 4.281 4.527 -0.001 0.000 0.300 423 F C 1.607 177.463 175.800 0.093 0.000 1.095 423 F CA 1.691 59.776 58.000 0.142 0.000 1.249 423 F CB -0.017 39.068 39.000 0.142 0.000 0.995 423 F HN 0.005 nan 8.300 nan 0.000 0.480 424 K N -0.012 120.499 120.400 0.185 0.000 2.057 424 K HA -0.173 4.147 4.320 -0.001 0.000 0.207 424 K C 2.038 178.582 176.600 -0.094 0.000 1.049 424 K CA 1.255 57.571 56.287 0.047 0.000 0.931 424 K CB -0.607 31.964 32.500 0.118 0.000 0.714 424 K HN 0.403 nan 8.250 nan 0.000 0.440 425 Q N 1.113 120.901 119.800 -0.020 0.000 2.050 425 Q HA -0.140 4.199 4.340 -0.001 0.000 0.202 425 Q C 1.713 177.686 176.000 -0.046 0.000 0.980 425 Q CA 1.410 57.235 55.803 0.036 0.000 0.840 425 Q CB -0.418 28.390 28.738 0.116 0.000 0.898 425 Q HN 0.320 nan 8.270 nan 0.000 0.424 426 D N 0.541 120.839 120.400 -0.171 0.000 2.218 426 D HA -0.097 4.542 4.640 -0.001 0.000 0.204 426 D C 1.655 177.433 176.300 -0.871 0.000 0.976 426 D CA 1.250 55.023 54.000 -0.378 0.000 0.853 426 D CB -0.105 40.522 40.800 -0.289 0.000 0.939 426 D HN 0.261 nan 8.370 nan 0.000 0.481 427 A N 0.806 123.101 122.820 -0.875 0.000 1.929 427 A HA -0.124 4.195 4.320 -0.001 0.000 0.216 427 A C 2.062 179.371 177.584 -0.458 0.000 1.176 427 A CA 0.999 52.577 52.037 -0.766 0.000 0.628 427 A CB -0.078 18.618 19.000 -0.506 0.000 0.816 427 A HN -0.032 nan 8.150 nan 0.000 0.444 428 K N -1.314 118.816 120.400 -0.450 0.000 2.155 428 K HA -0.029 4.291 4.320 -0.001 0.000 0.203 428 K C 0.819 177.022 176.600 -0.663 0.000 1.052 428 K CA 1.187 57.127 56.287 -0.579 0.000 0.948 428 K CB -0.247 31.785 32.500 -0.780 0.000 0.728 428 K HN 0.681 nan 8.250 nan 0.000 0.448 429 Y N -1.078 119.092 120.300 -0.216 0.000 2.481 429 Y HA 0.188 4.737 4.550 -0.001 0.000 0.247 429 Y C 1.946 177.712 175.900 -0.223 0.000 1.151 429 Y CA -0.153 57.841 58.100 -0.176 0.000 1.238 429 Y CB 0.953 39.346 38.460 -0.112 0.000 1.179 429 Y HN -0.078 nan 8.280 nan 0.000 0.524 430 S N -1.326 114.251 115.700 -0.206 0.000 4.198 430 S HA 0.006 4.475 4.470 -0.001 0.000 0.202 430 S C 1.236 175.707 174.600 -0.215 0.000 1.124 430 S CA 0.561 58.622 58.200 -0.232 0.000 1.050 430 S CB -0.393 62.810 63.200 0.005 0.000 1.401 430 S HN 0.501 nan 8.310 nan 0.000 0.589 431 H N -0.501 118.537 119.070 -0.053 0.000 2.750 431 H HA 0.537 5.092 4.556 -0.001 0.000 0.263 431 H C 1.297 176.710 175.328 0.141 0.000 0.964 431 H CA 0.833 56.941 56.048 0.100 0.000 1.205 431 H CB -0.603 29.265 29.762 0.176 0.000 1.454 431 H HN 0.592 nan 8.280 nan 0.000 0.503 432 G N 1.091 109.950 108.800 0.098 0.000 2.258 432 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.274 432 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.274 432 G C -0.062 174.933 174.900 0.159 0.000 1.021 432 G CA 0.589 45.732 45.100 0.072 0.000 0.798 432 G HN 0.506 nan 8.290 nan 0.000 0.507 433 I N 0.470 121.231 120.570 0.317 0.000 2.365 433 I HA 0.213 4.383 4.170 -0.001 0.000 0.291 433 I C 0.271 176.522 176.117 0.224 0.000 1.004 433 I CA -0.767 60.617 61.300 0.140 0.000 1.311 433 I CB 1.161 39.155 38.000 -0.009 0.000 1.401 433 I HN 0.022 nan 8.210 nan 0.000 0.491 434 D N 5.596 126.066 120.400 0.117 0.000 2.343 434 D HA 0.003 4.643 4.640 -0.001 0.000 0.255 434 D C 0.932 177.266 176.300 0.058 0.000 1.187 434 D CA 0.128 54.187 54.000 0.099 0.000 0.875 434 D CB 1.643 42.431 40.800 -0.020 0.000 1.136 434 D HN 0.339 nan 8.370 nan 0.000 0.469 435 V N 4.128 124.081 119.914 0.065 0.000 2.370 435 V HA -0.311 3.809 4.120 -0.001 0.000 0.252 435 V C 2.320 178.013 176.094 -0.669 0.000 1.068 435 V CA 3.205 65.267 62.300 -0.398 0.000 1.061 435 V CB -0.651 30.830 31.823 -0.571 0.000 0.656 435 V HN 0.881 nan 8.190 nan 0.000 0.455 436 T N -3.220 110.898 114.554 -0.726 0.000 2.915 436 T HA -0.176 4.173 4.350 -0.001 0.000 0.269 436 T C 1.507 175.752 174.700 -0.758 0.000 1.071 436 T CA 1.426 62.800 62.100 -1.209 0.000 1.132 436 T CB -0.550 67.960 68.868 -0.597 0.000 0.878 436 T HN 0.530 nan 8.240 nan 0.000 0.479 437 D N 1.221 121.379 120.400 -0.404 0.000 2.348 437 D HA 0.087 4.726 4.640 -0.001 0.000 0.216 437 D C 1.723 177.908 176.300 -0.193 0.000 0.970 437 D CA 0.482 54.340 54.000 -0.237 0.000 0.889 437 D CB -0.110 40.581 40.800 -0.181 0.000 0.912 437 D HN 0.451 nan 8.370 nan 0.000 0.524 438 L N -0.325 120.746 121.223 -0.253 0.000 2.558 438 L HA 0.036 4.375 4.340 -0.001 0.000 0.225 438 L C 1.680 178.608 176.870 0.096 0.000 1.128 438 L CA -0.112 54.667 54.840 -0.101 0.000 0.868 438 L CB -0.131 41.867 42.059 -0.100 0.000 1.006 438 L HN -0.118 nan 8.230 nan 0.000 0.454 439 F N 0.969 120.910 119.950 -0.014 0.000 2.171 439 F HA -0.133 4.394 4.527 -0.001 0.000 0.300 439 F C 2.527 178.352 175.800 0.041 0.000 1.090 439 F CA 0.720 58.720 58.000 -0.000 0.000 1.293 439 F CB -1.096 37.899 39.000 -0.009 0.000 1.013 439 F HN 0.056 nan 8.300 nan 0.000 0.486 440 A N -0.314 122.665 122.820 0.266 0.000 2.235 440 A HA 0.014 4.334 4.320 -0.001 0.000 0.208 440 A C 1.132 178.905 177.584 0.315 0.000 1.172 440 A CA 0.708 52.900 52.037 0.258 0.000 0.786 440 A CB -1.456 17.681 19.000 0.230 0.000 0.804 440 A HN 0.326 nan 8.150 nan 0.000 0.479 441 T N -1.777 112.908 114.554 0.218 0.000 2.918 441 T HA 0.372 4.722 4.350 -0.001 0.000 0.302 441 T C 0.012 174.756 174.700 0.073 0.000 1.045 441 T CA -0.456 61.690 62.100 0.077 0.000 1.114 441 T CB 0.794 69.682 68.868 0.033 0.000 0.965 441 T HN 0.278 nan 8.240 nan 0.000 0.540 442 Q N 3.590 123.403 119.800 0.021 0.000 2.281 442 Q HA 0.284 4.624 4.340 -0.001 0.000 0.267 442 Q C -2.253 173.757 176.000 0.015 0.000 1.053 442 Q CA -1.609 54.203 55.803 0.015 0.000 0.905 442 Q CB 0.287 29.011 28.738 -0.023 0.000 1.195 442 Q HN 0.497 nan 8.270 nan 0.000 0.398 443 P HA 0.203 nan 4.420 nan 0.000 0.274 443 P C 0.241 177.537 177.300 -0.006 0.000 1.237 443 P CA 0.561 63.674 63.100 0.022 0.000 0.793 443 P CB 0.902 32.615 31.700 0.021 0.000 0.977 444 G N 0.298 109.098 108.800 0.001 0.000 2.195 444 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.246 444 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.246 444 G C 0.882 175.738 174.900 -0.073 0.000 0.984 444 G CA 0.248 45.335 45.100 -0.023 0.000 0.633 444 G HN 0.476 nan 8.290 nan 0.000 0.525 445 L N 0.457 121.605 121.223 -0.124 0.000 2.141 445 L HA -0.045 4.294 4.340 -0.001 0.000 0.209 445 L C 3.055 179.717 176.870 -0.347 0.000 1.094 445 L CA 2.036 56.659 54.840 -0.361 0.000 0.763 445 L CB -0.588 41.106 42.059 -0.609 0.000 0.908 445 L HN 0.374 nan 8.230 nan 0.000 0.437 446 T N -1.037 113.532 114.554 0.026 0.000 2.652 446 T HA -0.196 4.154 4.350 -0.001 0.000 0.267 446 T C 2.125 176.876 174.700 0.084 0.000 1.039 446 T CA 1.783 64.020 62.100 0.229 0.000 1.153 446 T CB -0.131 68.888 68.868 0.250 0.000 0.863 446 T HN 0.269 nan 8.240 nan 0.000 0.428 447 S N 1.159 116.879 115.700 0.034 0.000 2.359 447 S HA -0.137 4.332 4.470 -0.001 0.000 0.222 447 S C 2.541 177.126 174.600 -0.025 0.000 1.038 447 S CA 1.285 59.492 58.200 0.010 0.000 1.051 447 S CB -0.700 62.501 63.200 0.002 0.000 0.944 447 S HN 0.597 nan 8.310 nan 0.000 0.433 448 A N 0.768 123.545 122.820 -0.073 0.000 1.877 448 A HA -0.047 4.272 4.320 -0.001 0.000 0.216 448 A C 2.370 179.885 177.584 -0.115 0.000 1.186 448 A CA 1.602 53.581 52.037 -0.096 0.000 0.620 448 A CB -0.932 17.992 19.000 -0.126 0.000 0.822 448 A HN 0.346 nan 8.150 nan 0.000 0.443 449 V N 0.133 119.936 119.914 -0.186 0.000 2.295 449 V HA -0.254 3.865 4.120 -0.001 0.000 0.246 449 V C 2.423 178.501 176.094 -0.027 0.000 1.049 449 V CA 2.055 64.264 62.300 -0.152 0.000 1.024 449 V CB -0.618 31.033 31.823 -0.288 0.000 0.648 449 V HN 0.573 nan 8.190 nan 0.000 0.447 450 I N 0.036 120.618 120.570 0.020 0.000 2.286 450 I HA -0.222 3.947 4.170 -0.001 0.000 0.248 450 I C 2.146 178.274 176.117 0.018 0.000 1.115 450 I CA 1.406 62.733 61.300 0.046 0.000 1.392 450 I CB -0.429 37.615 38.000 0.074 0.000 1.065 450 I HN 0.315 nan 8.210 nan 0.000 0.418 451 D N 0.913 121.314 120.400 0.002 0.000 2.219 451 D HA -0.093 4.546 4.640 -0.001 0.000 0.205 451 D C 2.027 178.322 176.300 -0.008 0.000 0.970 451 D CA 1.290 55.288 54.000 -0.003 0.000 0.851 451 D CB 0.065 40.859 40.800 -0.009 0.000 0.943 451 D HN 0.364 nan 8.370 nan 0.000 0.488 452 A N -0.060 122.750 122.820 -0.017 0.000 2.238 452 A HA 0.158 4.477 4.320 -0.001 0.000 0.210 452 A C 1.012 178.589 177.584 -0.012 0.000 1.179 452 A CA -0.228 51.797 52.037 -0.020 0.000 0.827 452 A CB -0.140 18.836 19.000 -0.039 0.000 0.856 452 A HN 0.121 nan 8.150 nan 0.000 0.488 453 L N 1.425 122.646 121.223 -0.003 0.000 2.540 453 L HA 0.126 4.465 4.340 -0.001 0.000 0.276 453 L C -2.141 174.726 176.870 -0.004 0.000 1.212 453 L CA -1.489 53.351 54.840 0.001 0.000 0.893 453 L CB -0.020 42.046 42.059 0.012 0.000 1.138 453 L HN 0.077 nan 8.230 nan 0.000 0.491 454 P HA -0.039 nan 4.420 nan 0.000 0.263 454 P C -0.403 176.892 177.300 -0.008 0.000 1.175 454 P CA -0.048 63.047 63.100 -0.008 0.000 0.761 454 P CB 0.382 32.071 31.700 -0.019 0.000 0.794 455 R N 3.707 124.205 120.500 -0.003 0.000 2.623 455 R HA 0.041 4.381 4.340 -0.001 0.000 0.271 455 R C 0.740 177.036 176.300 -0.007 0.000 1.043 455 R CA 0.495 56.593 56.100 -0.003 0.000 1.083 455 R CB -0.556 29.745 30.300 0.001 0.000 0.974 455 R HN 0.492 nan 8.270 nan 0.000 0.436 456 N N 1.430 120.124 118.700 -0.010 0.000 2.708 456 N HA -0.280 4.459 4.740 -0.001 0.000 0.249 456 N C -0.536 174.959 175.510 -0.024 0.000 1.097 456 N CA 1.021 54.062 53.050 -0.015 0.000 0.710 456 N CB -1.129 37.351 38.487 -0.012 0.000 1.032 456 N HN 0.604 nan 8.380 nan 0.000 0.551 457 M N 0.542 120.126 119.600 -0.027 0.000 2.241 457 M HA 0.184 4.663 4.480 -0.001 0.000 0.335 457 M C 0.005 176.277 176.300 -0.046 0.000 1.122 457 M CA -0.111 55.165 55.300 -0.040 0.000 1.164 457 M CB 0.957 33.534 32.600 -0.038 0.000 1.459 457 M HN -0.103 nan 8.290 nan 0.000 0.461 458 V N 5.869 125.744 119.914 -0.064 0.000 2.370 458 V HA 0.419 4.538 4.120 -0.001 0.000 0.283 458 V C -0.164 175.868 176.094 -0.104 0.000 1.023 458 V CA -0.545 61.708 62.300 -0.079 0.000 0.857 458 V CB 1.275 33.045 31.823 -0.087 0.000 0.985 458 V HN 0.682 nan 8.190 nan 0.000 0.443 459 I N 3.782 124.292 120.570 -0.100 0.000 2.377 459 I HA 0.369 4.538 4.170 -0.001 0.000 0.293 459 I C 0.293 176.293 176.117 -0.196 0.000 0.987 459 I CA -0.173 61.054 61.300 -0.121 0.000 1.185 459 I CB 2.057 40.026 38.000 -0.053 0.000 1.341 459 I HN 0.504 nan 8.210 nan 0.000 0.455 460 T N 5.529 119.872 114.554 -0.351 0.000 2.799 460 T HA 0.500 4.849 4.350 -0.001 0.000 0.286 460 T C -0.294 174.148 174.700 -0.429 0.000 0.973 460 T CA -0.404 61.341 62.100 -0.592 0.000 1.035 460 T CB 0.683 68.845 68.868 -1.176 0.000 0.932 460 T HN 0.799 nan 8.240 nan 0.000 0.469 461 C N 2.452 121.618 119.300 -0.223 0.000 3.318 461 C HA 0.796 5.255 4.460 -0.001 0.000 0.322 461 C C -0.962 174.118 174.990 0.150 0.000 1.398 461 C CA -1.249 57.840 59.018 0.119 0.000 1.339 461 C CB 1.229 29.040 27.740 0.118 0.000 1.668 461 C HN 0.670 nan 8.230 nan 0.000 0.462 462 Q N 1.041 120.984 119.800 0.239 0.000 2.509 462 Q HA 0.537 4.877 4.340 -0.001 0.000 0.236 462 Q C 0.083 176.093 176.000 0.016 0.000 1.073 462 Q CA 1.201 57.023 55.803 0.032 0.000 0.867 462 Q CB 0.176 28.724 28.738 -0.317 0.000 1.181 462 Q HN 2.653 nan 8.270 nan 0.000 0.526 463 G N 2.038 110.839 108.800 0.003 0.000 3.269 463 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.668 463 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.668 463 G C 0.130 175.049 174.900 0.031 0.000 1.100 463 G CA -0.051 45.059 45.100 0.015 0.000 0.940 463 G HN 0.517 nan 8.290 nan 0.000 0.438 464 S N 0.624 116.332 115.700 0.014 0.000 2.458 464 S HA 0.026 4.495 4.470 -0.001 0.000 0.223 464 S C 1.947 176.556 174.600 0.016 0.000 1.019 464 S CA 1.567 59.773 58.200 0.009 0.000 0.937 464 S CB 0.022 63.218 63.200 -0.008 0.000 0.788 464 S HN 0.629 nan 8.310 nan 0.000 0.511 465 D N 2.162 122.573 120.400 0.018 0.000 2.117 465 D HA -0.111 4.529 4.640 -0.001 0.000 0.198 465 D C 1.768 178.085 176.300 0.029 0.000 0.982 465 D CA 1.361 55.373 54.000 0.020 0.000 0.828 465 D CB -0.575 40.236 40.800 0.018 0.000 0.967 465 D HN 0.617 nan 8.370 nan 0.000 0.464 466 D N 1.502 121.925 120.400 0.039 0.000 2.092 466 D HA -0.178 4.462 4.640 -0.001 0.000 0.193 466 D C 2.118 178.448 176.300 0.050 0.000 0.994 466 D CA 0.637 54.667 54.000 0.050 0.000 0.828 466 D CB -0.535 40.303 40.800 0.063 0.000 0.963 466 D HN 0.145 nan 8.370 nan 0.000 0.450 467 I N 1.269 121.869 120.570 0.051 0.000 2.127 467 I HA -0.222 3.947 4.170 -0.001 0.000 0.241 467 I C 2.814 178.952 176.117 0.036 0.000 1.075 467 I CA 0.916 62.245 61.300 0.048 0.000 1.334 467 I CB -1.243 36.786 38.000 0.048 0.000 1.040 467 I HN 0.078 nan 8.210 nan 0.000 0.405 468 R N 1.171 121.687 120.500 0.027 0.000 2.094 468 R HA -0.258 4.081 4.340 -0.001 0.000 0.239 468 R C 2.397 178.712 176.300 0.025 0.000 1.137 468 R CA 2.322 58.434 56.100 0.020 0.000 0.943 468 R CB -0.234 30.074 30.300 0.013 0.000 0.850 468 R HN 0.272 nan 8.270 nan 0.000 0.433 469 K N 0.092 120.510 120.400 0.029 0.000 2.063 469 K HA -0.188 4.131 4.320 -0.001 0.000 0.208 469 K C 2.096 178.719 176.600 0.038 0.000 1.048 469 K CA 1.600 57.906 56.287 0.032 0.000 0.928 469 K CB -0.248 32.273 32.500 0.035 0.000 0.713 469 K HN 0.185 nan 8.250 nan 0.000 0.442 470 L N 1.256 122.506 121.223 0.044 0.000 2.046 470 L HA -0.115 4.224 4.340 -0.001 0.000 0.208 470 L C 1.855 178.754 176.870 0.048 0.000 1.077 470 L CA 1.540 56.410 54.840 0.051 0.000 0.747 470 L CB -0.278 41.816 42.059 0.058 0.000 0.896 470 L HN 0.247 nan 8.230 nan 0.000 0.432 471 L N -0.869 120.379 121.223 0.042 0.000 2.072 471 L HA -0.145 4.194 4.340 -0.001 0.000 0.205 471 L C 2.550 179.439 176.870 0.031 0.000 1.079 471 L CA 1.289 56.151 54.840 0.037 0.000 0.752 471 L CB -0.617 41.460 42.059 0.030 0.000 0.906 471 L HN 0.350 nan 8.230 nan 0.000 0.436 472 E N 0.127 120.344 120.200 0.027 0.000 2.072 472 E HA -0.195 4.154 4.350 -0.001 0.000 0.191 472 E C 2.290 178.905 176.600 0.026 0.000 0.985 472 E CA 1.584 57.998 56.400 0.023 0.000 0.801 472 E CB -0.147 29.565 29.700 0.020 0.000 0.750 472 E HN 0.514 nan 8.360 nan 0.000 0.452 473 S N 1.148 116.866 115.700 0.031 0.000 2.400 473 S HA -0.169 4.300 4.470 -0.001 0.000 0.232 473 S C 1.747 176.367 174.600 0.033 0.000 1.025 473 S CA 0.921 59.141 58.200 0.033 0.000 0.993 473 S CB -0.073 63.151 63.200 0.039 0.000 0.808 473 S HN 0.122 nan 8.310 nan 0.000 0.478 474 Q N 0.717 120.538 119.800 0.036 0.000 2.320 474 Q HA 0.305 4.645 4.340 -0.001 0.000 0.201 474 Q C 1.224 177.240 176.000 0.026 0.000 0.910 474 Q CA 0.565 56.389 55.803 0.034 0.000 0.946 474 Q CB 0.062 28.826 28.738 0.044 0.000 1.062 474 Q HN 0.822 nan 8.270 nan 0.000 0.503 475 G N 1.947 110.760 108.800 0.022 0.000 2.149 475 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.235 475 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.235 475 G C -0.158 174.751 174.900 0.015 0.000 1.018 475 G CA -0.271 44.839 45.100 0.017 0.000 0.728 475 G HN 0.066 nan 8.290 nan 0.000 0.508 476 R N 0.233 120.743 120.500 0.017 0.000 2.335 476 R HA 0.339 4.678 4.340 -0.001 0.000 0.302 476 R C 0.818 177.125 176.300 0.011 0.000 1.147 476 R CA -0.582 55.526 56.100 0.014 0.000 1.111 476 R CB 0.851 31.160 30.300 0.017 0.000 1.122 476 R HN 0.348 nan 8.270 nan 0.000 0.557 477 K N 0.870 121.275 120.400 0.008 0.000 2.387 477 K HA 0.012 4.332 4.320 -0.001 0.000 0.198 477 K C 0.490 177.091 176.600 0.002 0.000 1.022 477 K CA 0.256 56.546 56.287 0.006 0.000 1.128 477 K CB 0.755 33.258 32.500 0.006 0.000 0.853 477 K HN 0.453 nan 8.250 nan 0.000 0.523 478 D N 0.310 120.710 120.400 0.001 0.000 2.366 478 D HA -0.006 4.634 4.640 -0.001 0.000 0.205 478 D C 0.674 176.970 176.300 -0.007 0.000 1.022 478 D CA -0.095 53.903 54.000 -0.003 0.000 0.868 478 D CB 0.198 40.997 40.800 -0.002 0.000 0.953 478 D HN 0.063 nan 8.370 nan 0.000 0.514 479 I N 1.698 122.264 120.570 -0.006 0.000 2.396 479 I HA 0.040 4.209 4.170 -0.001 0.000 0.289 479 I C 0.797 176.904 176.117 -0.017 0.000 1.056 479 I CA -0.301 60.992 61.300 -0.012 0.000 1.365 479 I CB 0.961 38.957 38.000 -0.006 0.000 1.407 479 I HN -0.233 nan 8.210 nan 0.000 0.509 480 K N 5.953 126.337 120.400 -0.027 0.000 2.218 480 K HA 0.419 4.739 4.320 -0.001 0.000 0.276 480 K C -1.159 175.413 176.600 -0.047 0.000 1.022 480 K CA -0.596 55.670 56.287 -0.034 0.000 0.946 480 K CB 0.945 33.422 32.500 -0.037 0.000 1.000 480 K HN 0.296 nan 8.250 nan 0.000 0.468 481 L N 4.899 126.093 121.223 -0.049 0.000 2.362 481 L HA 0.475 4.814 4.340 -0.001 0.000 0.275 481 L C -0.303 176.519 176.870 -0.079 0.000 0.998 481 L CA -0.447 54.356 54.840 -0.061 0.000 0.820 481 L CB 1.599 43.635 42.059 -0.039 0.000 1.270 481 L HN 0.514 nan 8.230 nan 0.000 0.415 482 I N 2.948 123.447 120.570 -0.119 0.000 2.328 482 I HA 0.245 4.415 4.170 -0.001 0.000 0.287 482 I C -0.325 175.709 176.117 -0.139 0.000 1.012 482 I CA -0.538 60.680 61.300 -0.136 0.000 1.195 482 I CB 1.411 39.300 38.000 -0.185 0.000 1.350 482 I HN 0.460 nan 8.210 nan 0.000 0.464 483 D N 6.642 126.989 120.400 -0.088 0.000 2.249 483 D HA 0.212 4.852 4.640 -0.001 0.000 0.246 483 D C 0.732 176.996 176.300 -0.060 0.000 1.114 483 D CA -0.254 53.708 54.000 -0.064 0.000 0.854 483 D CB 1.582 42.359 40.800 -0.038 0.000 1.132 483 D HN 0.303 nan 8.370 nan 0.000 0.461 484 I N 2.791 123.334 120.570 -0.044 0.000 2.703 484 I HA 0.033 4.203 4.170 -0.001 0.000 0.259 484 I C 1.357 177.467 176.117 -0.012 0.000 1.151 484 I CA 0.474 61.768 61.300 -0.010 0.000 1.470 484 I CB -1.446 36.607 38.000 0.089 0.000 1.112 484 I HN 0.662 nan 8.210 nan 0.000 0.437 485 A N 1.724 124.523 122.820 -0.036 0.000 2.519 485 A HA -0.210 4.110 4.320 -0.001 0.000 0.297 485 A C 0.297 177.850 177.584 -0.051 0.000 1.472 485 A CA 0.319 52.327 52.037 -0.048 0.000 0.739 485 A CB -2.401 16.580 19.000 -0.032 0.000 1.096 485 A HN 0.371 nan 8.150 nan 0.000 0.414 486 L N 0.926 122.097 121.223 -0.087 0.000 2.436 486 L HA 0.442 4.781 4.340 -0.001 0.000 0.265 486 L C 1.462 178.279 176.870 -0.088 0.000 1.168 486 L CA 0.226 55.018 54.840 -0.080 0.000 0.815 486 L CB 1.257 43.245 42.059 -0.120 0.000 1.109 486 L HN 0.854 nan 8.230 nan 0.000 0.462 487 S N 1.407 117.074 115.700 -0.053 0.000 2.579 487 S HA 0.025 4.494 4.470 -0.001 0.000 0.275 487 S C 1.006 175.573 174.600 -0.055 0.000 1.345 487 S CA -0.327 57.846 58.200 -0.046 0.000 1.031 487 S CB 0.918 64.103 63.200 -0.024 0.000 0.892 487 S HN 0.763 nan 8.310 nan 0.000 0.529 488 K N 1.383 121.758 120.400 -0.041 0.000 2.020 488 K HA -0.186 4.133 4.320 -0.001 0.000 0.212 488 K C 1.888 178.485 176.600 -0.006 0.000 1.050 488 K CA 2.221 58.493 56.287 -0.026 0.000 0.929 488 K CB -1.163 31.333 32.500 -0.005 0.000 0.714 488 K HN 0.815 nan 8.250 nan 0.000 0.443 489 T N 1.348 115.900 114.554 -0.004 0.000 2.684 489 T HA -0.137 4.212 4.350 -0.001 0.000 0.267 489 T C 1.333 176.031 174.700 -0.003 0.000 1.036 489 T CA 1.686 63.785 62.100 -0.001 0.000 1.148 489 T CB -0.425 68.439 68.868 -0.007 0.000 0.863 489 T HN 0.336 nan 8.240 nan 0.000 0.436 490 D N 0.703 121.098 120.400 -0.007 0.000 2.144 490 D HA -0.018 4.622 4.640 -0.001 0.000 0.200 490 D C 2.416 178.734 176.300 0.030 0.000 0.978 490 D CA 0.701 54.703 54.000 0.003 0.000 0.833 490 D CB -0.519 40.284 40.800 0.005 0.000 0.961 490 D HN 0.203 nan 8.370 nan 0.000 0.470 491 S N -0.185 115.517 115.700 0.003 0.000 2.365 491 S HA -0.124 4.345 4.470 -0.001 0.000 0.225 491 S C 1.431 176.163 174.600 0.219 0.000 1.039 491 S CA 1.086 59.302 58.200 0.026 0.000 1.033 491 S CB 0.062 63.195 63.200 -0.111 0.000 0.887 491 S HN 0.239 nan 8.310 nan 0.000 0.447 492 R N 0.427 121.010 120.500 0.138 0.000 2.552 492 R HA 0.221 4.560 4.340 -0.001 0.000 0.314 492 R C 1.545 177.877 176.300 0.053 0.000 1.041 492 R CA -0.263 55.915 56.100 0.130 0.000 1.076 492 R CB 0.132 30.500 30.300 0.113 0.000 1.290 492 R HN 0.198 nan 8.270 nan 0.000 0.563 493 K N 0.681 121.082 120.400 0.002 0.000 2.097 493 K HA -0.128 4.192 4.320 -0.001 0.000 0.206 493 K C 0.423 176.839 176.600 -0.307 0.000 1.049 493 K CA 1.502 57.680 56.287 -0.182 0.000 0.933 493 K CB 0.138 32.467 32.500 -0.285 0.000 0.717 493 K HN 0.231 nan 8.250 nan 0.000 0.442 494 Y N 0.815 121.126 120.300 0.018 0.000 2.493 494 Y HA 0.116 4.665 4.550 -0.001 0.000 0.275 494 Y C 1.859 177.755 175.900 -0.008 0.000 1.183 494 Y CA -0.120 57.979 58.100 -0.003 0.000 1.258 494 Y CB 0.262 38.707 38.460 -0.025 0.000 1.108 494 Y HN 0.209 nan 8.280 nan 0.000 0.521 495 E N 0.840 121.109 120.200 0.115 0.000 2.049 495 E HA -0.270 4.079 4.350 -0.001 0.000 0.198 495 E C 1.608 178.339 176.600 0.220 0.000 1.007 495 E CA 1.738 58.224 56.400 0.144 0.000 0.809 495 E CB 0.057 29.858 29.700 0.168 0.000 0.749 495 E HN 0.378 nan 8.360 nan 0.000 0.450 496 N N -0.000 118.792 118.700 0.154 0.000 2.188 496 N HA -0.111 4.628 4.740 -0.001 0.000 0.184 496 N C 1.581 177.170 175.510 0.131 0.000 1.018 496 N CA 1.244 54.382 53.050 0.146 0.000 0.858 496 N CB -0.383 38.145 38.487 0.068 0.000 0.989 496 N HN 0.269 nan 8.380 nan 0.000 0.426 497 A N 0.458 123.344 122.820 0.110 0.000 1.933 497 A HA -0.063 4.257 4.320 -0.001 0.000 0.218 497 A C 2.499 180.103 177.584 0.034 0.000 1.175 497 A CA 1.180 53.270 52.037 0.088 0.000 0.628 497 A CB -0.642 18.468 19.000 0.182 0.000 0.814 497 A HN 0.107 nan 8.150 nan 0.000 0.444 498 V N -2.309 117.624 119.914 0.031 0.000 2.323 498 V HA -0.251 3.869 4.120 -0.001 0.000 0.244 498 V C 2.237 178.285 176.094 -0.077 0.000 1.041 498 V CA 1.687 63.952 62.300 -0.058 0.000 1.025 498 V CB -0.936 30.769 31.823 -0.196 0.000 0.656 498 V HN 0.800 nan 8.190 nan 0.000 0.451 499 W N 0.287 121.563 121.300 -0.040 0.000 2.388 499 W HA -0.122 4.537 4.660 -0.002 0.000 0.294 499 W C 2.332 178.811 176.519 -0.067 0.000 1.212 499 W CA 1.110 58.423 57.345 -0.054 0.000 1.271 499 W CB -0.332 29.093 29.460 -0.058 0.000 1.126 499 W HN 0.263 nan 8.180 nan 0.000 0.535 500 D N -0.426 120.059 120.400 0.141 0.000 2.104 500 D HA -0.263 4.377 4.640 -0.001 0.000 0.194 500 D C 1.908 178.170 176.300 -0.063 0.000 0.994 500 D CA 1.690 55.711 54.000 0.035 0.000 0.830 500 D CB -0.688 40.118 40.800 0.009 0.000 0.959 500 D HN 0.308 nan 8.370 nan 0.000 0.452 501 Q N -1.281 118.406 119.800 -0.189 0.000 2.187 501 Q HA -0.102 4.238 4.340 -0.001 0.000 0.199 501 Q C 0.682 176.375 176.000 -0.511 0.000 0.957 501 Q CA 0.912 56.437 55.803 -0.462 0.000 0.857 501 Q CB 0.215 28.481 28.738 -0.786 0.000 0.929 501 Q HN 0.302 nan 8.270 nan 0.000 0.453 502 Y N -1.070 119.168 120.300 -0.104 0.000 2.626 502 Y HA 0.218 4.767 4.550 -0.001 0.000 0.248 502 Y C 1.302 177.121 175.900 -0.136 0.000 1.147 502 Y CA -0.363 57.634 58.100 -0.172 0.000 1.219 502 Y CB 0.488 38.749 38.460 -0.332 0.000 1.279 502 Y HN -0.003 nan 8.280 nan 0.000 0.541 503 K N 1.440 121.908 120.400 0.115 0.000 2.107 503 K HA -0.275 4.044 4.320 -0.001 0.000 0.211 503 K C 1.478 178.099 176.600 0.035 0.000 1.049 503 K CA 2.365 58.769 56.287 0.195 0.000 0.927 503 K CB -0.397 32.217 32.500 0.189 0.000 0.714 503 K HN 0.221 nan 8.250 nan 0.000 0.452 504 D N -0.552 119.869 120.400 0.036 0.000 2.309 504 D HA -0.089 4.550 4.640 -0.001 0.000 0.212 504 D C 1.395 177.762 176.300 0.111 0.000 0.968 504 D CA 0.756 54.791 54.000 0.059 0.000 0.882 504 D CB 0.059 40.952 40.800 0.155 0.000 0.918 504 D HN 0.348 nan 8.370 nan 0.000 0.503 505 L N -1.081 120.183 121.223 0.067 0.000 2.492 505 L HA 0.118 4.457 4.340 -0.001 0.000 0.223 505 L C 0.558 177.530 176.870 0.170 0.000 1.132 505 L CA -0.059 54.835 54.840 0.090 0.000 0.850 505 L CB 0.163 42.128 42.059 -0.156 0.000 0.966 505 L HN 0.155 nan 8.230 nan 0.000 0.454 506 C N -0.361 119.018 119.300 0.132 0.000 2.516 506 C HA 0.363 4.822 4.460 -0.001 0.000 0.338 506 C C 0.761 175.887 174.990 0.226 0.000 1.132 506 C CA -0.541 58.683 59.018 0.343 0.000 1.310 506 C CB 0.736 28.724 27.740 0.413 0.000 1.898 506 C HN 0.323 nan 8.230 nan 0.000 0.452 507 H N 4.325 123.595 119.070 0.332 0.000 2.528 507 H HA 0.090 4.645 4.556 -0.001 0.000 0.282 507 H C 1.080 176.470 175.328 0.103 0.000 1.097 507 H CA -0.024 56.147 56.048 0.204 0.000 1.121 507 H CB 0.711 30.547 29.762 0.122 0.000 1.590 507 H HN 0.610 nan 8.280 nan 0.000 0.553 508 M N 0.319 120.007 119.600 0.146 0.000 2.476 508 M HA 0.004 4.484 4.480 -0.001 0.000 0.262 508 M C 0.359 176.481 176.300 -0.297 0.000 1.111 508 M CA 0.742 55.930 55.300 -0.187 0.000 1.127 508 M CB 0.096 32.454 32.600 -0.403 0.000 1.376 508 M HN 0.121 nan 8.290 nan 0.000 0.465 509 H N 0.413 119.562 119.070 0.132 0.000 2.872 509 H HA 0.289 4.844 4.556 -0.001 0.000 0.273 509 H C 0.953 176.285 175.328 0.007 0.000 1.205 509 H CA 0.695 56.790 56.048 0.078 0.000 1.342 509 H CB -0.031 29.792 29.762 0.102 0.000 1.469 509 H HN 0.322 nan 8.280 nan 0.000 0.487 510 T N -0.543 114.040 114.554 0.048 0.000 2.978 510 T HA 0.145 4.495 4.350 -0.001 0.000 0.248 510 T C 1.319 176.013 174.700 -0.011 0.000 1.018 510 T CA 0.035 62.141 62.100 0.010 0.000 1.026 510 T CB 0.409 69.274 68.868 -0.005 0.000 1.032 510 T HN 0.437 nan 8.240 nan 0.000 0.485 511 G N 2.251 111.047 108.800 -0.007 0.000 2.476 511 G HA2 0.490 4.449 3.960 -0.001 0.000 0.269 511 G HA3 0.490 4.449 3.960 -0.001 0.000 0.269 511 G C -0.040 174.820 174.900 -0.066 0.000 1.195 511 G CA -0.244 44.833 45.100 -0.038 0.000 0.843 511 G HN 0.712 nan 8.290 nan 0.000 0.545 512 V N 1.028 120.891 119.914 -0.084 0.000 2.686 512 V HA 0.598 4.717 4.120 -0.001 0.000 0.295 512 V C -0.123 175.888 176.094 -0.139 0.000 1.055 512 V CA -0.395 61.843 62.300 -0.104 0.000 1.050 512 V CB 1.156 32.923 31.823 -0.093 0.000 0.984 512 V HN 0.440 nan 8.190 nan 0.000 0.482 513 V N 6.229 126.054 119.914 -0.147 0.000 2.555 513 V HA 0.688 4.807 4.120 -0.001 0.000 0.302 513 V C 0.125 176.132 176.094 -0.146 0.000 1.038 513 V CA 0.087 62.276 62.300 -0.185 0.000 0.887 513 V CB 1.788 33.489 31.823 -0.202 0.000 0.991 513 V HN 1.167 nan 8.190 nan 0.000 0.434 514 V N 1.396 121.224 119.914 -0.145 0.000 3.046 514 V HA 0.806 4.925 4.120 -0.001 0.000 0.316 514 V C -0.655 175.482 176.094 0.072 0.000 1.104 514 V CA -0.640 61.630 62.300 -0.050 0.000 1.006 514 V CB 2.068 33.857 31.823 -0.057 0.000 1.058 514 V HN 0.935 nan 8.190 nan 0.000 0.440 515 E N 1.108 121.356 120.200 0.080 0.000 2.293 515 E HA 0.426 4.776 4.350 -0.001 0.000 0.270 515 E C -1.167 175.480 176.600 0.079 0.000 0.879 515 E CA -0.911 55.552 56.400 0.105 0.000 0.756 515 E CB 2.398 32.137 29.700 0.065 0.000 1.208 515 E HN 0.792 nan 8.360 nan 0.000 0.428 516 K N 3.057 123.495 120.400 0.063 0.000 2.368 516 K HA 0.157 4.476 4.320 -0.001 0.000 0.282 516 K C 0.050 176.660 176.600 0.017 0.000 1.035 516 K CA 0.114 56.421 56.287 0.033 0.000 0.973 516 K CB 0.957 33.456 32.500 -0.002 0.000 0.957 516 K HN 0.280 nan 8.250 nan 0.000 0.474 523 E N 1.721 121.927 120.200 0.010 0.000 2.288 523 E HA 0.324 4.674 4.350 -0.001 0.000 0.268 523 E C -1.107 175.484 176.600 -0.015 0.000 0.885 523 E CA -1.077 55.321 56.400 -0.004 0.000 0.767 523 E CB 2.218 31.916 29.700 -0.003 0.000 1.220 523 E HN 0.559 nan 8.360 nan 0.000 0.427 524 E N 2.035 122.218 120.200 -0.030 0.000 2.360 524 E HA 0.252 4.602 4.350 -0.001 0.000 0.269 524 E C -0.014 176.558 176.600 -0.046 0.000 1.022 524 E CA -0.031 56.340 56.400 -0.049 0.000 0.887 524 E CB 0.783 30.449 29.700 -0.057 0.000 0.990 524 E HN 0.448 nan 8.360 nan 0.000 0.426 525 I N -1.531 119.003 120.570 -0.061 0.000 3.145 525 I HA 0.449 4.618 4.170 -0.001 0.000 0.313 525 I C -0.269 175.790 176.117 -0.097 0.000 1.122 525 I CA -1.053 60.215 61.300 -0.053 0.000 0.987 525 I CB 2.150 40.141 38.000 -0.015 0.000 1.236 525 I HN 0.118 nan 8.210 nan 0.000 0.453 526 T N 3.885 118.386 114.554 -0.088 0.000 2.870 526 T HA 0.276 4.626 4.350 -0.001 0.000 0.300 526 T C -2.335 172.287 174.700 -0.129 0.000 0.989 526 T CA -0.421 61.579 62.100 -0.168 0.000 1.139 526 T CB 0.194 68.955 68.868 -0.178 0.000 0.920 526 T HN 0.459 nan 8.240 nan 0.000 0.537 527 P HA 0.034 nan 4.420 nan 0.000 0.267 527 P C -0.413 176.910 177.300 0.038 0.000 1.201 527 P CA 0.036 63.046 63.100 -0.150 0.000 0.775 527 P CB 0.236 31.873 31.700 -0.104 0.000 0.854 528 H N -0.112 118.973 119.070 0.025 0.000 2.517 528 H HA 0.396 4.951 4.556 -0.001 0.000 0.317 528 H C -0.268 175.017 175.328 -0.072 0.000 1.080 528 H CA -0.901 55.171 56.048 0.041 0.000 1.301 528 H CB 0.670 30.487 29.762 0.091 0.000 1.425 528 H HN 0.406 nan 8.280 nan 0.000 0.471 529 C N 3.432 122.721 119.300 -0.018 0.000 2.379 529 C HA 0.553 5.012 4.460 -0.001 0.000 0.323 529 C C 1.802 176.734 174.990 -0.096 0.000 1.262 529 C CA -0.205 58.748 59.018 -0.110 0.000 1.581 529 C CB -0.635 26.980 27.740 -0.209 0.000 2.221 529 C HN 1.015 nan 8.230 nan 0.000 0.497 530 A N 4.169 126.991 122.820 0.003 0.000 1.903 530 A HA -0.178 4.141 4.320 -0.001 0.000 0.219 530 A C 1.863 179.294 177.584 -0.255 0.000 1.191 530 A CA 2.358 54.345 52.037 -0.084 0.000 0.638 530 A CB -0.670 18.319 19.000 -0.018 0.000 0.823 530 A HN 1.116 nan 8.150 nan 0.000 0.451 531 L N -1.200 119.801 121.223 -0.371 0.000 2.023 531 L HA -0.097 4.242 4.340 -0.001 0.000 0.205 531 L C 2.364 178.813 176.870 -0.702 0.000 1.073 531 L CA 2.097 56.588 54.840 -0.583 0.000 0.745 531 L CB -0.569 40.952 42.059 -0.897 0.000 0.900 531 L HN 0.300 nan 8.230 nan 0.000 0.435 532 M N -0.474 118.664 119.600 -0.769 0.000 2.149 532 M HA -0.197 4.283 4.480 -0.001 0.000 0.261 532 M C 1.978 177.794 176.300 -0.807 0.000 1.064 532 M CA 1.401 56.152 55.300 -0.914 0.000 1.102 532 M CB -1.615 30.183 32.600 -1.337 0.000 1.369 532 M HN 0.261 nan 8.290 nan 0.000 0.408 533 D N 0.085 120.034 120.400 -0.753 0.000 2.104 533 D HA -0.131 4.508 4.640 -0.001 0.000 0.194 533 D C 2.224 177.784 176.300 -1.234 0.000 0.994 533 D CA 1.231 54.545 54.000 -1.142 0.000 0.830 533 D CB -0.430 39.792 40.800 -0.962 0.000 0.959 533 D HN 0.344 nan 8.370 nan 0.000 0.452 534 C N 0.402 119.283 119.300 -0.698 0.000 2.398 534 C HA -0.147 4.312 4.460 -0.001 0.000 0.276 534 C C 2.839 177.418 174.990 -0.684 0.000 1.222 534 C CA 0.282 59.002 59.018 -0.498 0.000 1.746 534 C CB -1.083 26.560 27.740 -0.163 0.000 2.039 534 C HN 0.343 nan 8.230 nan 0.000 0.470 535 I N 1.704 121.827 120.570 -0.745 0.000 2.179 535 I HA -0.279 3.891 4.170 -0.001 0.000 0.242 535 I C 2.655 178.467 176.117 -0.508 0.000 1.088 535 I CA 2.118 62.990 61.300 -0.714 0.000 1.357 535 I CB -0.542 36.937 38.000 -0.869 0.000 1.051 535 I HN 0.453 nan 8.210 nan 0.000 0.409 536 M N -0.360 118.925 119.600 -0.525 0.000 2.229 536 M HA -0.126 4.354 4.480 -0.001 0.000 0.264 536 M C 1.972 178.189 176.300 -0.139 0.000 1.063 536 M CA 1.843 56.974 55.300 -0.282 0.000 1.114 536 M CB -0.626 31.849 32.600 -0.207 0.000 1.387 536 M HN -0.020 nan 8.290 nan 0.000 0.420 537 F N 1.808 121.499 119.950 -0.432 0.000 2.146 537 F HA -0.083 4.444 4.527 -0.000 0.000 0.298 537 F C 2.229 177.634 175.800 -0.660 0.000 1.096 537 F CA 1.455 59.146 58.000 -0.515 0.000 1.275 537 F CB -1.525 37.096 39.000 -0.633 0.000 1.008 537 F HN 0.326 nan 8.300 nan 0.000 0.480 538 D N 0.007 119.897 120.400 -0.851 0.000 2.104 538 D HA -0.169 4.470 4.640 -0.001 0.000 0.194 538 D C 2.258 178.475 176.300 -0.138 0.000 0.994 538 D CA 1.522 55.240 54.000 -0.470 0.000 0.830 538 D CB -0.179 40.350 40.800 -0.452 0.000 0.959 538 D HN 0.108 nan 8.370 nan 0.000 0.452 539 A N 0.413 123.107 122.820 -0.209 0.000 1.908 539 A HA -0.061 4.259 4.320 -0.001 0.000 0.218 539 A C 2.371 179.828 177.584 -0.212 0.000 1.181 539 A CA 2.353 54.198 52.037 -0.319 0.000 0.627 539 A CB -1.143 17.537 19.000 -0.534 0.000 0.818 539 A HN 0.356 nan 8.150 nan 0.000 0.445 540 A N -0.752 122.117 122.820 0.082 0.000 1.902 540 A HA 0.022 4.342 4.320 -0.001 0.000 0.217 540 A C 2.228 179.915 177.584 0.172 0.000 1.181 540 A CA 1.766 53.962 52.037 0.266 0.000 0.623 540 A CB -0.822 18.323 19.000 0.241 0.000 0.818 540 A HN 0.393 nan 8.150 nan 0.000 0.443 541 V N -0.237 119.763 119.914 0.144 0.000 2.358 541 V HA -0.165 3.954 4.120 -0.001 0.000 0.246 541 V C 2.624 178.790 176.094 0.119 0.000 1.047 541 V CA 2.260 64.661 62.300 0.168 0.000 1.035 541 V CB -0.569 31.436 31.823 0.302 0.000 0.658 541 V HN 0.539 nan 8.190 nan 0.000 0.452 542 S N -0.414 115.335 115.700 0.080 0.000 2.489 542 S HA 0.167 4.636 4.470 -0.001 0.000 0.228 542 S C 1.583 176.198 174.600 0.025 0.000 0.995 542 S CA 0.819 59.044 58.200 0.041 0.000 0.934 542 S CB 0.185 63.389 63.200 0.005 0.000 0.771 542 S HN 0.955 nan 8.310 nan 0.000 0.522 543 G N 0.818 109.644 108.800 0.044 0.000 2.160 543 G HA2 0.099 4.058 3.960 -0.001 0.000 0.244 543 G HA3 0.099 4.058 3.960 -0.001 0.000 0.244 543 G C 0.198 175.123 174.900 0.041 0.000 1.022 543 G CA -0.030 45.130 45.100 0.101 0.000 0.741 543 G HN 1.068 nan 8.290 nan 0.000 0.508 544 G N -1.766 106.892 108.800 -0.237 0.000 2.361 544 G HA2 0.564 4.524 3.960 -0.001 0.000 0.299 544 G HA3 0.564 4.524 3.960 -0.001 0.000 0.299 544 G C -1.537 173.046 174.900 -0.529 0.000 1.544 544 G CA -0.197 44.677 45.100 -0.378 0.000 0.860 544 G HN 1.318 nan 8.290 nan 0.000 0.610 545 L N 1.497 122.447 121.223 -0.456 0.000 2.305 545 L HA 0.517 4.857 4.340 -0.001 0.000 0.284 545 L C 0.222 177.032 176.870 -0.100 0.000 1.013 545 L CA -0.822 53.857 54.840 -0.268 0.000 0.819 545 L CB 1.067 42.989 42.059 -0.227 0.000 1.227 545 L HN 0.582 nan 8.230 nan 0.000 0.417 546 N N 2.303 120.975 118.700 -0.047 0.000 2.467 546 N HA 0.153 4.893 4.740 -0.001 0.000 0.262 546 N C -0.499 175.017 175.510 0.011 0.000 1.234 546 N CA -0.189 52.858 53.050 -0.004 0.000 0.952 546 N CB 1.031 39.529 38.487 0.019 0.000 1.158 546 N HN 0.557 nan 8.380 nan 0.000 0.463 547 T N 0.686 115.240 114.554 -0.000 0.000 3.945 547 T HA 0.061 4.410 4.350 -0.001 0.000 0.306 547 T C 0.360 175.082 174.700 0.037 0.000 1.475 547 T CA 0.068 62.156 62.100 -0.019 0.000 1.177 547 T CB -0.367 68.481 68.868 -0.033 0.000 1.272 547 T HN 0.245 nan 8.240 nan 0.000 0.930 548 S N 2.313 118.083 115.700 0.117 0.000 2.489 548 S HA 0.495 4.964 4.470 -0.001 0.000 0.291 548 S C 0.438 175.175 174.600 0.228 0.000 1.151 548 S CA -0.930 57.364 58.200 0.156 0.000 1.082 548 S CB 0.552 63.849 63.200 0.162 0.000 1.019 548 S HN 0.502 nan 8.310 nan 0.000 0.492 549 V N 4.178 124.193 119.914 0.169 0.000 2.529 549 V HA 0.410 4.529 4.120 -0.001 0.000 0.292 549 V C -0.210 176.002 176.094 0.197 0.000 1.028 549 V CA -0.443 61.970 62.300 0.188 0.000 1.074 549 V CB -0.312 31.592 31.823 0.135 0.000 0.958 549 V HN 0.638 nan 8.190 nan 0.000 0.481 550 L N 5.468 126.821 121.223 0.216 0.000 2.352 550 L HA 0.664 5.004 4.340 -0.001 0.000 0.269 550 L C 0.435 177.466 176.870 0.268 0.000 1.034 550 L CA -0.409 54.555 54.840 0.207 0.000 0.806 550 L CB 1.689 43.767 42.059 0.031 0.000 1.244 550 L HN 0.720 nan 8.230 nan 0.000 0.447 551 R N 1.347 121.996 120.500 0.249 0.000 2.439 551 R HA 0.710 5.049 4.340 -0.001 0.000 0.310 551 R C -0.774 175.419 176.300 -0.179 0.000 0.955 551 R CA -0.642 55.514 56.100 0.094 0.000 0.853 551 R CB 1.619 31.957 30.300 0.064 0.000 1.171 551 R HN 0.726 nan 8.270 nan 0.000 0.449 552 A N 2.834 125.467 122.820 -0.311 0.000 2.409 552 A HA 0.191 4.510 4.320 -0.001 0.000 0.267 552 A C 1.149 178.504 177.584 -0.381 0.000 1.127 552 A CA -0.497 51.078 52.037 -0.771 0.000 0.795 552 A CB 0.591 19.352 19.000 -0.397 0.000 1.061 552 A HN 0.637 nan 8.150 nan 0.000 0.502 553 V N 3.500 123.185 119.914 -0.381 0.000 2.323 553 V HA -0.102 4.017 4.120 -0.001 0.000 0.244 553 V C 1.128 177.156 176.094 -0.109 0.000 1.041 553 V CA 1.247 63.447 62.300 -0.166 0.000 1.025 553 V CB -0.705 31.054 31.823 -0.107 0.000 0.656 553 V HN 0.687 nan 8.190 nan 0.000 0.451 554 L N 1.417 122.578 121.223 -0.104 0.000 2.349 554 L HA 0.290 4.630 4.340 -0.001 0.000 0.275 554 L C -2.243 174.613 176.870 -0.023 0.000 1.115 554 L CA -1.669 53.135 54.840 -0.060 0.000 0.820 554 L CB 0.022 42.052 42.059 -0.048 0.000 1.135 554 L HN 0.114 nan 8.230 nan 0.000 0.445 555 P HA 0.088 nan 4.420 nan 0.000 0.268 555 P C 0.339 177.694 177.300 0.092 0.000 1.205 555 P CA -0.314 62.816 63.100 0.049 0.000 0.771 555 P CB 0.616 32.343 31.700 0.045 0.000 0.858 556 R N 1.878 122.468 120.500 0.150 0.000 2.139 556 R HA -0.186 4.153 4.340 -0.001 0.000 0.243 556 R C 0.750 177.201 176.300 0.251 0.000 1.145 556 R CA 1.564 57.806 56.100 0.237 0.000 0.976 556 R CB -0.264 30.184 30.300 0.247 0.000 0.866 556 R HN 0.483 nan 8.270 nan 0.000 0.449 557 D N -0.309 120.207 120.400 0.193 0.000 2.350 557 D HA -0.143 4.496 4.640 -0.001 0.000 0.216 557 D C 1.482 177.846 176.300 0.107 0.000 0.968 557 D CA 0.800 54.908 54.000 0.180 0.000 0.894 557 D CB 0.149 41.066 40.800 0.194 0.000 0.909 557 D HN 0.336 nan 8.370 nan 0.000 0.520 558 M N -0.672 118.968 119.600 0.068 0.000 2.567 558 M HA -0.025 4.454 4.480 -0.001 0.000 0.261 558 M C 1.436 177.726 176.300 -0.018 0.000 1.180 558 M CA 0.389 55.688 55.300 -0.002 0.000 1.143 558 M CB 0.569 33.138 32.600 -0.052 0.000 1.319 558 M HN -0.202 nan 8.290 nan 0.000 0.490 559 V N 0.800 120.715 119.914 0.002 0.000 2.453 559 V HA -0.087 4.032 4.120 -0.001 0.000 0.247 559 V C 0.541 176.467 176.094 -0.279 0.000 1.048 559 V CA 1.288 63.506 62.300 -0.137 0.000 1.049 559 V CB -0.498 31.245 31.823 -0.134 0.000 0.672 559 V HN 0.222 nan 8.190 nan 0.000 0.457 560 F N -0.462 119.556 119.950 0.114 0.000 2.507 560 F HA 0.646 5.173 4.527 0.000 0.000 0.327 560 F C 0.713 176.555 175.800 0.069 0.000 1.068 560 F CA -1.242 56.817 58.000 0.099 0.000 0.965 560 F CB 1.097 40.152 39.000 0.091 0.000 1.192 560 F HN -0.044 nan 8.300 nan 0.000 0.476 561 R N 0.000 120.648 120.500 0.246 0.000 2.786 561 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 561 R CA 0.000 56.189 56.100 0.148 0.000 0.921 561 R CB 0.000 30.360 30.300 0.101 0.000 0.687 561 R HN 0.000 nan 8.270 nan 0.000 0.535