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 1bi9_1_C DATA FIRST_RESID 2 DATA SEQUENCE MASLQLLPSP TPNLEIKYTK IFINNEWQNS ESGRVFPVCN PATGEQVCEV DATA SEQUENCE QEADKVDIDK AVQAARLAFS LGSVWRRMDA SERGRLLDKL ADLVERDRAT DATA SEQUENCE LATMESLNGG KPFLQAFYID LQGVIKTLRY YAGWADKIHG MTIPVDGDYF DATA SEQUENCE TFTRHEPIGV CGQIIPWNFP LLMFTWKIAP ALCCGNTVVI KPAEQTPLSA DATA SEQUENCE LYMGALIKEA GFPPGVVNIL PGYGPTAGAA IASHIGIDKI AFTGSTEVGK DATA SEQUENCE LIQEAAGRSN LKRVTLELGG KSPNIIFADA DLDYAVEQAH QGVFFNQGQC DATA SEQUENCE CTAGSRIFVE ESIYEEFVKR SVERAKRRIV GSPFDPTTEQ GPQIDKKQYN DATA SEQUENCE KILELIQSGV AEGAKLECGG KGLGRKGFFI EPTVFSNVTD DMRIAKEEIF DATA SEQUENCE GPVQEILRFK TMDEVIERAN NSDFGLVAAV FTNDINKALM VSSAMQAGTV DATA SEQUENCE WINCYNAXXX XXXXXXXXXX XXXXXXGEFG LREYSEVKTV TVKIPQKNS 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 2 M HA 0.000 nan 4.480 nan 0.000 0.227 2 M C 0.000 176.302 176.300 0.003 0.000 1.140 2 M CA 0.000 55.302 55.300 0.003 0.000 0.988 2 M CB 0.000 32.602 32.600 0.003 0.000 1.302 3 A N 0.431 123.253 122.820 0.003 0.000 2.108 3 A HA -0.034 4.284 4.320 -0.002 0.000 0.270 3 A C 0.042 177.628 177.584 0.003 0.000 1.390 3 A CA 0.889 52.927 52.037 0.003 0.000 0.729 3 A CB -2.033 16.968 19.000 0.001 0.000 1.185 3 A HN 0.768 nan 8.150 nan 0.000 0.318 4 S N 2.349 118.052 115.700 0.005 0.000 3.158 4 S HA 0.357 4.825 4.470 -0.002 0.000 0.215 4 S C 0.612 175.216 174.600 0.007 0.000 1.359 4 S CA -0.558 57.646 58.200 0.006 0.000 0.974 4 S CB 0.204 63.409 63.200 0.007 0.000 1.336 4 S HN 0.606 nan 8.310 nan 0.000 0.488 5 L N 3.378 124.604 121.223 0.005 0.000 2.697 5 L HA 0.063 4.402 4.340 -0.002 0.000 0.239 5 L C 0.323 177.196 176.870 0.005 0.000 1.430 5 L CA 0.790 55.633 54.840 0.004 0.000 1.193 5 L CB -1.292 40.768 42.059 0.001 0.000 1.516 5 L HN 0.623 nan 8.230 nan 0.000 0.439 6 Q N 1.573 121.378 119.800 0.008 0.000 2.569 6 Q HA 0.504 4.843 4.340 -0.002 0.000 0.226 6 Q C -0.615 175.393 176.000 0.015 0.000 1.136 6 Q CA -0.074 55.736 55.803 0.010 0.000 0.947 6 Q CB 0.995 29.740 28.738 0.012 0.000 1.218 6 Q HN 0.394 nan 8.270 nan 0.000 0.547 7 L N 2.320 123.549 121.223 0.011 0.000 2.322 7 L HA 0.616 4.954 4.340 -0.002 0.000 0.269 7 L C 0.405 177.279 176.870 0.008 0.000 1.012 7 L CA -1.118 53.731 54.840 0.015 0.000 0.815 7 L CB 1.372 43.437 42.059 0.011 0.000 1.295 7 L HN 0.625 nan 8.230 nan 0.000 0.438 8 L N -0.946 120.283 121.223 0.010 0.000 3.859 8 L HA 0.331 4.670 4.340 -0.002 0.000 0.385 8 L C -2.456 174.391 176.870 -0.038 0.000 1.296 8 L CA -0.610 54.226 54.840 -0.007 0.000 1.178 8 L CB 0.073 42.138 42.059 0.010 0.000 1.409 8 L HN 0.469 nan 8.230 nan 0.000 0.600 9 P HA 0.530 nan 4.420 nan 0.000 0.222 9 P C -0.870 176.373 177.300 -0.095 0.000 1.721 9 P CA 0.114 63.125 63.100 -0.147 0.000 1.294 9 P CB 1.657 33.288 31.700 -0.115 0.000 1.450 10 S N 3.188 118.799 115.700 -0.148 0.000 2.569 10 S HA 0.759 5.228 4.470 -0.002 0.000 0.280 10 S C -2.440 171.810 174.600 -0.582 0.000 1.111 10 S CA -1.249 56.760 58.200 -0.319 0.000 0.887 10 S CB 2.175 65.199 63.200 -0.293 0.000 1.095 10 S HN 0.151 nan 8.310 nan 0.000 0.476 11 P HA 0.161 nan 4.420 nan 0.000 0.327 11 P C -0.068 176.885 177.300 -0.579 0.000 1.414 11 P CA 0.360 62.687 63.100 -1.288 0.000 0.823 11 P CB -0.369 30.239 31.700 -1.819 0.000 1.899 12 T N -3.936 110.313 114.554 -0.507 0.000 2.971 12 T HA 0.430 4.779 4.350 -0.002 0.000 0.304 12 T C -2.881 171.658 174.700 -0.268 0.000 1.038 12 T CA -1.828 60.100 62.100 -0.286 0.000 1.007 12 T CB 1.181 69.952 68.868 -0.161 0.000 1.055 12 T HN 0.231 nan 8.240 nan 0.000 0.451 13 P HA 0.079 nan 4.420 nan 0.000 0.261 13 P C -0.114 177.142 177.300 -0.074 0.000 1.203 13 P CA 0.298 63.322 63.100 -0.127 0.000 0.767 13 P CB -0.238 31.402 31.700 -0.099 0.000 0.785 14 N N 0.719 119.402 118.700 -0.029 0.000 2.676 14 N HA -0.224 4.515 4.740 -0.002 0.000 0.290 14 N C 0.160 175.659 175.510 -0.017 0.000 1.109 14 N CA -0.204 52.848 53.050 0.003 0.000 0.779 14 N CB -0.457 38.028 38.487 -0.004 0.000 0.947 14 N HN 0.430 nan 8.380 nan 0.000 0.566 15 L N 1.705 122.920 121.223 -0.013 0.000 2.490 15 L HA 0.036 4.375 4.340 -0.002 0.000 0.274 15 L C 0.369 177.224 176.870 -0.025 0.000 1.201 15 L CA 0.664 55.488 54.840 -0.026 0.000 0.869 15 L CB 0.552 42.599 42.059 -0.019 0.000 1.123 15 L HN 0.193 nan 8.230 nan 0.000 0.484 16 E N 5.618 125.794 120.200 -0.040 0.000 2.081 16 E HA 0.219 4.568 4.350 -0.002 0.000 0.281 16 E C -0.578 175.979 176.600 -0.072 0.000 0.986 16 E CA -0.645 55.721 56.400 -0.057 0.000 0.796 16 E CB 0.734 30.393 29.700 -0.068 0.000 1.085 16 E HN 0.424 nan 8.360 nan 0.000 0.398 17 I N 4.296 124.822 120.570 -0.073 0.000 2.573 17 I HA -0.088 4.081 4.170 -0.002 0.000 0.295 17 I C 1.418 177.428 176.117 -0.180 0.000 1.141 17 I CA 0.784 62.034 61.300 -0.083 0.000 1.364 17 I CB -0.153 37.805 38.000 -0.070 0.000 1.447 17 I HN 0.602 nan 8.210 nan 0.000 0.571 18 K N 5.294 125.531 120.400 -0.272 0.000 2.167 18 K HA -0.062 4.257 4.320 -0.002 0.000 0.203 18 K C -0.244 175.819 176.600 -0.896 0.000 1.052 18 K CA 0.986 56.911 56.287 -0.603 0.000 0.956 18 K CB 0.269 32.281 32.500 -0.812 0.000 0.735 18 K HN 0.378 nan 8.250 nan 0.000 0.451 19 Y N 0.464 120.585 120.300 -0.299 0.000 2.369 19 Y HA 0.154 4.703 4.550 -0.002 0.000 0.337 19 Y C 0.437 176.151 175.900 -0.310 0.000 0.961 19 Y CA -0.599 57.179 58.100 -0.537 0.000 1.186 19 Y CB 1.720 39.782 38.460 -0.662 0.000 1.139 19 Y HN 0.010 nan 8.280 nan 0.000 0.494 20 T N -1.754 112.695 114.554 -0.174 0.000 3.262 20 T HA 0.367 4.716 4.350 -0.002 0.000 0.300 20 T C 0.065 174.787 174.700 0.036 0.000 0.959 20 T CA -0.552 61.511 62.100 -0.062 0.000 0.936 20 T CB 0.008 68.812 68.868 -0.107 0.000 1.169 20 T HN 0.299 nan 8.240 nan 0.000 0.532 21 K N 0.918 121.396 120.400 0.130 0.000 2.185 21 K HA 0.690 5.009 4.320 -0.002 0.000 0.240 21 K C -0.271 176.636 176.600 0.512 0.000 0.983 21 K CA -1.078 55.387 56.287 0.296 0.000 0.873 21 K CB 1.703 34.393 32.500 0.316 0.000 1.118 21 K HN 0.116 nan 8.250 nan 0.000 0.441 22 I N 1.404 122.202 120.570 0.380 0.000 2.813 22 I HA -0.037 4.132 4.170 -0.002 0.000 0.287 22 I C -0.186 176.136 176.117 0.343 0.000 1.196 22 I CA 0.247 61.738 61.300 0.319 0.000 1.421 22 I CB 0.136 38.254 38.000 0.196 0.000 1.365 22 I HN 0.399 nan 8.210 nan 0.000 0.591 23 F N 7.561 127.498 119.950 -0.023 0.000 2.359 23 F HA 0.572 5.098 4.527 -0.002 0.000 0.369 23 F C -0.564 175.075 175.800 -0.269 0.000 1.084 23 F CA -0.599 57.179 58.000 -0.371 0.000 1.096 23 F CB 0.270 38.908 39.000 -0.603 0.000 1.335 23 F HN 0.124 nan 8.300 nan 0.000 0.457 24 I N 4.614 124.845 120.570 -0.567 0.000 2.509 24 I HA 0.239 4.408 4.170 -0.002 0.000 0.293 24 I C 0.111 175.869 176.117 -0.597 0.000 1.020 24 I CA -1.249 59.751 61.300 -0.500 0.000 1.088 24 I CB 1.797 39.659 38.000 -0.231 0.000 1.267 24 I HN 0.498 nan 8.210 nan 0.000 0.430 25 N N 4.480 122.860 118.700 -0.533 0.000 2.714 25 N HA -0.245 4.493 4.740 -0.002 0.000 0.252 25 N C 0.109 175.315 175.510 -0.507 0.000 1.014 25 N CA 0.672 53.475 53.050 -0.413 0.000 0.735 25 N CB -0.853 37.488 38.487 -0.244 0.000 0.924 25 N HN 0.756 nan 8.380 nan 0.000 0.540 26 N N -1.623 116.541 118.700 -0.894 0.000 2.708 26 N HA -0.222 4.517 4.740 -0.002 0.000 0.251 26 N C -1.215 173.998 175.510 -0.495 0.000 1.123 26 N CA 1.493 54.105 53.050 -0.729 0.000 0.739 26 N CB -0.428 37.929 38.487 -0.216 0.000 1.113 26 N HN 0.626 nan 8.380 nan 0.000 0.561 27 E N -0.706 119.114 120.200 -0.633 0.000 2.248 27 E HA 0.256 4.605 4.350 -0.002 0.000 0.267 27 E C -0.387 176.048 176.600 -0.274 0.000 0.877 27 E CA -0.484 55.735 56.400 -0.302 0.000 0.759 27 E CB 0.703 30.306 29.700 -0.162 0.000 1.182 27 E HN 0.112 nan 8.360 nan 0.000 0.418 28 W N 3.172 124.557 121.300 0.142 0.000 2.387 28 W HA 0.169 4.828 4.660 -0.002 0.000 0.310 28 W C 0.756 177.333 176.519 0.097 0.000 1.181 28 W CA -0.463 56.985 57.345 0.172 0.000 1.333 28 W CB 0.676 30.254 29.460 0.196 0.000 1.286 28 W HN 0.102 nan 8.180 nan 0.000 0.455 29 Q N 2.039 121.998 119.800 0.266 0.000 2.194 29 Q HA 0.426 4.765 4.340 -0.002 0.000 0.245 29 Q C -0.595 175.516 176.000 0.186 0.000 0.993 29 Q CA -1.002 54.904 55.803 0.171 0.000 0.930 29 Q CB 1.464 30.259 28.738 0.095 0.000 1.238 29 Q HN 0.511 nan 8.270 nan 0.000 0.486 30 N N -0.330 118.448 118.700 0.131 0.000 2.335 30 N HA 0.235 4.973 4.740 -0.002 0.000 0.304 30 N C -0.832 174.741 175.510 0.105 0.000 1.135 30 N CA -0.413 52.707 53.050 0.116 0.000 0.817 30 N CB 1.519 40.060 38.487 0.089 0.000 1.294 30 N HN 0.547 nan 8.380 nan 0.000 0.497 31 S N 0.856 116.622 115.700 0.110 0.000 2.552 31 S HA -0.016 4.453 4.470 -0.002 0.000 0.289 31 S C 1.075 175.723 174.600 0.080 0.000 1.304 31 S CA -0.282 57.980 58.200 0.104 0.000 1.063 31 S CB 0.863 64.134 63.200 0.120 0.000 0.848 31 S HN 0.530 nan 8.310 nan 0.000 0.499 32 E N 2.379 122.621 120.200 0.070 0.000 2.147 32 E HA -0.180 4.169 4.350 -0.002 0.000 0.199 32 E C 2.287 178.918 176.600 0.052 0.000 1.005 32 E CA 1.882 58.315 56.400 0.055 0.000 0.810 32 E CB -0.534 29.195 29.700 0.049 0.000 0.736 32 E HN 0.947 nan 8.360 nan 0.000 0.460 33 S N -1.614 114.121 115.700 0.058 0.000 2.425 33 S HA 0.104 4.573 4.470 -0.002 0.000 0.225 33 S C 1.689 176.321 174.600 0.054 0.000 1.024 33 S CA 1.139 59.371 58.200 0.052 0.000 0.951 33 S CB 0.476 63.709 63.200 0.055 0.000 0.796 33 S HN 0.321 nan 8.310 nan 0.000 0.498 34 G N 1.106 109.945 108.800 0.065 0.000 2.176 34 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.232 34 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.232 34 G C 0.181 175.124 174.900 0.072 0.000 0.986 34 G CA -0.105 45.032 45.100 0.062 0.000 0.643 34 G HN 0.554 nan 8.290 nan 0.000 0.522 35 R N -0.508 120.044 120.500 0.087 0.000 2.679 35 R HA 0.594 4.933 4.340 -0.002 0.000 0.269 35 R C -0.268 176.119 176.300 0.145 0.000 1.076 35 R CA 0.224 56.389 56.100 0.107 0.000 1.160 35 R CB 1.224 31.592 30.300 0.113 0.000 1.054 35 R HN 0.179 nan 8.270 nan 0.000 0.507 36 V N 2.416 122.431 119.914 0.168 0.000 3.048 36 V HA 0.390 4.509 4.120 -0.002 0.000 0.303 36 V C -1.265 174.996 176.094 0.278 0.000 1.214 36 V CA -0.815 61.597 62.300 0.187 0.000 0.984 36 V CB 2.022 33.890 31.823 0.076 0.000 1.054 36 V HN 0.693 nan 8.190 nan 0.000 0.430 37 F N 3.767 123.781 119.950 0.107 0.000 2.563 37 F HA 0.987 5.513 4.527 -0.002 0.000 0.316 37 F C -2.894 172.955 175.800 0.080 0.000 1.076 37 F CA -2.860 55.221 58.000 0.135 0.000 0.921 37 F CB 1.764 40.919 39.000 0.258 0.000 1.209 37 F HN 0.294 nan 8.300 nan 0.000 0.462 38 P HA 0.363 nan 4.420 nan 0.000 0.281 38 P C -1.279 175.997 177.300 -0.040 0.000 1.249 38 P CA -0.397 62.679 63.100 -0.040 0.000 0.810 38 P CB 2.450 34.175 31.700 0.041 0.000 1.008 39 V N 2.278 122.130 119.914 -0.102 0.000 2.495 39 V HA 0.334 4.453 4.120 -0.002 0.000 0.298 39 V C 0.194 176.273 176.094 -0.025 0.000 1.031 39 V CA -0.267 62.000 62.300 -0.056 0.000 0.871 39 V CB 1.537 33.295 31.823 -0.107 0.000 0.988 39 V HN 0.722 nan 8.190 nan 0.000 0.432 40 C N 3.303 122.602 119.300 -0.001 0.000 2.529 40 C HA 0.471 4.929 4.460 -0.002 0.000 0.329 40 C C 0.375 175.363 174.990 -0.002 0.000 1.194 40 C CA -1.038 57.983 59.018 0.004 0.000 1.779 40 C CB 1.556 29.318 27.740 0.036 0.000 2.322 40 C HN 0.860 nan 8.230 nan 0.000 0.500 41 N N 3.052 121.745 118.700 -0.012 0.000 2.405 41 N HA 0.122 4.860 4.740 -0.002 0.000 0.260 41 N C -1.223 174.281 175.510 -0.009 0.000 1.152 41 N CA -1.300 51.728 53.050 -0.038 0.000 0.948 41 N CB 1.183 39.629 38.487 -0.068 0.000 1.111 41 N HN 0.457 nan 8.380 nan 0.000 0.485 42 P HA -0.081 nan 4.420 nan 0.000 0.228 42 P C 0.554 177.810 177.300 -0.074 0.000 1.151 42 P CA 0.726 63.877 63.100 0.084 0.000 0.770 42 P CB 0.371 32.051 31.700 -0.034 0.000 0.786 43 A N 0.171 122.904 122.820 -0.145 0.000 1.956 43 A HA 0.004 4.323 4.320 -0.002 0.000 0.212 43 A C 2.177 179.724 177.584 -0.062 0.000 1.188 43 A CA 1.790 53.752 52.037 -0.125 0.000 0.675 43 A CB -1.153 17.831 19.000 -0.026 0.000 0.845 43 A HN 0.348 nan 8.150 nan 0.000 0.455 44 T N -5.785 108.700 114.554 -0.115 0.000 3.023 44 T HA 0.420 4.768 4.350 -0.002 0.000 0.249 44 T C 1.554 176.145 174.700 -0.181 0.000 1.050 44 T CA 1.237 63.265 62.100 -0.121 0.000 1.088 44 T CB 0.381 69.196 68.868 -0.088 0.000 0.946 44 T HN 1.619 nan 8.240 nan 0.000 0.480 45 G N 1.786 110.483 108.800 -0.172 0.000 2.241 45 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.244 45 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.244 45 G C -0.012 174.865 174.900 -0.039 0.000 0.998 45 G CA 0.290 45.312 45.100 -0.130 0.000 0.621 45 G HN 1.004 nan 8.290 nan 0.000 0.519 46 E N 1.334 121.502 120.200 -0.053 0.000 2.404 46 E HA 0.306 4.655 4.350 -0.002 0.000 0.261 46 E C 0.224 176.812 176.600 -0.021 0.000 1.074 46 E CA -0.051 56.328 56.400 -0.036 0.000 0.917 46 E CB 0.443 30.116 29.700 -0.044 0.000 0.965 46 E HN 0.499 nan 8.360 nan 0.000 0.433 47 Q N 2.253 122.043 119.800 -0.017 0.000 2.314 47 Q HA 0.128 4.467 4.340 -0.002 0.000 0.258 47 Q C 0.138 176.121 176.000 -0.028 0.000 0.954 47 Q CA -0.477 55.316 55.803 -0.018 0.000 0.890 47 Q CB 1.502 30.230 28.738 -0.016 0.000 1.210 47 Q HN 0.559 nan 8.270 nan 0.000 0.410 48 V N 3.223 123.116 119.914 -0.034 0.000 2.672 48 V HA 0.061 4.180 4.120 -0.002 0.000 0.242 48 V C 0.601 176.664 176.094 -0.050 0.000 1.059 48 V CA 1.077 63.354 62.300 -0.037 0.000 1.081 48 V CB 0.152 31.954 31.823 -0.034 0.000 0.752 48 V HN 1.048 nan 8.190 nan 0.000 0.472 49 C N -1.850 117.409 119.300 -0.069 0.000 3.241 49 C HA 0.537 4.996 4.460 -0.002 0.000 0.354 49 C C -1.436 173.479 174.990 -0.126 0.000 1.462 49 C CA -1.174 57.791 59.018 -0.087 0.000 1.169 49 C CB 1.066 28.750 27.740 -0.093 0.000 1.618 49 C HN 0.352 nan 8.230 nan 0.000 0.429 50 E N 0.270 120.386 120.200 -0.139 0.000 2.212 50 E HA 0.706 5.055 4.350 -0.002 0.000 0.268 50 E C -1.223 175.235 176.600 -0.236 0.000 0.902 50 E CA -0.608 55.680 56.400 -0.188 0.000 0.779 50 E CB 2.386 32.023 29.700 -0.104 0.000 1.172 50 E HN 0.557 nan 8.360 nan 0.000 0.409 51 V N 2.770 122.434 119.914 -0.417 0.000 2.715 51 V HA 0.152 4.271 4.120 -0.002 0.000 0.310 51 V C -0.182 175.818 176.094 -0.156 0.000 1.054 51 V CA -1.043 61.045 62.300 -0.354 0.000 0.928 51 V CB 1.946 33.392 31.823 -0.628 0.000 1.007 51 V HN 0.608 nan 8.190 nan 0.000 0.437 52 Q N 2.664 122.485 119.800 0.035 0.000 2.330 52 Q HA 0.135 4.473 4.340 -0.002 0.000 0.279 52 Q C -0.027 176.149 176.000 0.294 0.000 1.024 52 Q CA 0.325 56.215 55.803 0.146 0.000 0.900 52 Q CB 0.733 29.564 28.738 0.155 0.000 1.221 52 Q HN 0.724 nan 8.270 nan 0.000 0.396 53 E N 1.310 121.710 120.200 0.333 0.000 2.081 53 E HA 0.420 4.769 4.350 -0.002 0.000 0.276 53 E C -0.995 175.738 176.600 0.222 0.000 0.950 53 E CA -0.433 56.201 56.400 0.390 0.000 0.776 53 E CB 0.861 30.810 29.700 0.415 0.000 1.094 53 E HN 0.625 nan 8.360 nan 0.000 0.402 54 A N 4.369 127.302 122.820 0.188 0.000 2.332 54 A HA 0.327 4.646 4.320 -0.002 0.000 0.258 54 A C -0.010 177.635 177.584 0.102 0.000 1.087 54 A CA -0.204 51.912 52.037 0.131 0.000 0.802 54 A CB 0.822 19.894 19.000 0.120 0.000 1.042 54 A HN 0.806 nan 8.150 nan 0.000 0.489 55 D N -1.283 119.168 120.400 0.085 0.000 2.825 55 D HA 0.217 4.856 4.640 -0.002 0.000 0.327 55 D C 0.636 176.975 176.300 0.065 0.000 1.277 55 D CA -0.645 53.397 54.000 0.070 0.000 0.950 55 D CB 0.888 41.726 40.800 0.062 0.000 1.438 55 D HN 0.249 nan 8.370 nan 0.000 0.526 56 K N -0.038 120.395 120.400 0.054 0.000 2.023 56 K HA -0.162 4.157 4.320 -0.002 0.000 0.227 56 K C 1.974 178.613 176.600 0.065 0.000 1.054 56 K CA 1.702 58.022 56.287 0.054 0.000 0.977 56 K CB -0.944 31.574 32.500 0.029 0.000 0.733 56 K HN 0.286 nan 8.250 nan 0.000 0.451 57 V N 2.356 122.301 119.914 0.052 0.000 2.278 57 V HA -0.287 3.832 4.120 -0.002 0.000 0.251 57 V C 2.073 178.202 176.094 0.057 0.000 1.062 57 V CA 2.274 64.605 62.300 0.052 0.000 1.038 57 V CB -0.509 31.339 31.823 0.042 0.000 0.646 57 V HN 0.326 nan 8.190 nan 0.000 0.447 58 D N -0.102 120.334 120.400 0.059 0.000 2.117 58 D HA -0.137 4.502 4.640 -0.002 0.000 0.197 58 D C 2.191 178.519 176.300 0.047 0.000 0.987 58 D CA 1.263 55.296 54.000 0.055 0.000 0.829 58 D CB -0.149 40.692 40.800 0.069 0.000 0.961 58 D HN 0.311 nan 8.370 nan 0.000 0.460 59 I N 1.514 122.122 120.570 0.063 0.000 2.208 59 I HA -0.235 3.934 4.170 -0.002 0.000 0.245 59 I C 1.864 178.008 176.117 0.046 0.000 1.097 59 I CA 1.303 62.637 61.300 0.056 0.000 1.363 59 I CB -1.057 37.004 38.000 0.103 0.000 1.051 59 I HN -0.070 nan 8.210 nan 0.000 0.413 60 D N 0.834 121.308 120.400 0.124 0.000 2.104 60 D HA -0.197 4.441 4.640 -0.002 0.000 0.194 60 D C 2.253 178.585 176.300 0.053 0.000 0.994 60 D CA 1.447 55.553 54.000 0.177 0.000 0.830 60 D CB 0.065 40.964 40.800 0.165 0.000 0.959 60 D HN 0.315 nan 8.370 nan 0.000 0.452 61 K N 0.187 120.601 120.400 0.024 0.000 2.057 61 K HA -0.046 4.272 4.320 -0.002 0.000 0.206 61 K C 2.176 178.746 176.600 -0.050 0.000 1.050 61 K CA 1.052 57.333 56.287 -0.009 0.000 0.935 61 K CB -0.112 32.383 32.500 -0.008 0.000 0.715 61 K HN 0.064 nan 8.250 nan 0.000 0.439 62 A N 1.169 123.951 122.820 -0.062 0.000 1.902 62 A HA -0.126 4.193 4.320 -0.002 0.000 0.217 62 A C 2.381 179.890 177.584 -0.125 0.000 1.181 62 A CA 1.431 53.408 52.037 -0.101 0.000 0.623 62 A CB -0.646 18.305 19.000 -0.081 0.000 0.818 62 A HN 0.077 nan 8.150 nan 0.000 0.443 63 V N -0.265 119.557 119.914 -0.154 0.000 2.427 63 V HA -0.278 3.841 4.120 -0.002 0.000 0.248 63 V C 2.611 178.628 176.094 -0.128 0.000 1.051 63 V CA 2.107 64.272 62.300 -0.224 0.000 1.048 63 V CB -0.797 30.710 31.823 -0.525 0.000 0.666 63 V HN 0.623 nan 8.190 nan 0.000 0.456 64 Q N -0.284 119.471 119.800 -0.075 0.000 2.050 64 Q HA -0.172 4.167 4.340 -0.002 0.000 0.202 64 Q C 2.458 178.434 176.000 -0.040 0.000 0.980 64 Q CA 1.815 57.598 55.803 -0.032 0.000 0.840 64 Q CB -0.372 28.359 28.738 -0.011 0.000 0.898 64 Q HN 0.667 nan 8.270 nan 0.000 0.424 65 A N 0.949 123.728 122.820 -0.068 0.000 1.902 65 A HA -0.142 4.177 4.320 -0.002 0.000 0.217 65 A C 2.262 179.800 177.584 -0.076 0.000 1.181 65 A CA 1.649 53.637 52.037 -0.082 0.000 0.623 65 A CB -0.766 18.156 19.000 -0.130 0.000 0.818 65 A HN 0.418 nan 8.150 nan 0.000 0.443 66 A N -0.378 122.387 122.820 -0.091 0.000 1.902 66 A HA -0.133 4.186 4.320 -0.002 0.000 0.217 66 A C 2.173 179.761 177.584 0.005 0.000 1.181 66 A CA 2.032 54.022 52.037 -0.078 0.000 0.623 66 A CB -0.447 18.483 19.000 -0.116 0.000 0.818 66 A HN 0.467 nan 8.150 nan 0.000 0.443 67 R N -0.597 119.906 120.500 0.005 0.000 2.080 67 R HA -0.145 4.194 4.340 -0.002 0.000 0.236 67 R C 1.966 178.331 176.300 0.108 0.000 1.137 67 R CA 1.844 57.986 56.100 0.069 0.000 0.943 67 R CB -0.877 29.446 30.300 0.038 0.000 0.846 67 R HN 0.425 nan 8.270 nan 0.000 0.431 68 L N 0.270 121.526 121.223 0.055 0.000 2.042 68 L HA -0.049 4.290 4.340 -0.002 0.000 0.210 68 L C 1.963 178.879 176.870 0.076 0.000 1.076 68 L CA 2.297 57.168 54.840 0.051 0.000 0.749 68 L CB -0.930 41.139 42.059 0.017 0.000 0.893 68 L HN 0.310 nan 8.230 nan 0.000 0.432 69 A N -2.175 120.691 122.820 0.077 0.000 2.216 69 A HA -0.166 4.153 4.320 -0.002 0.000 0.214 69 A C 1.885 179.628 177.584 0.264 0.000 1.160 69 A CA 1.304 53.406 52.037 0.108 0.000 0.725 69 A CB -0.845 18.160 19.000 0.007 0.000 0.784 69 A HN 0.547 nan 8.150 nan 0.000 0.472 70 F N 0.369 120.375 119.950 0.093 0.000 2.728 70 F HA 0.212 4.738 4.527 -0.002 0.000 0.314 70 F C 1.054 176.912 175.800 0.097 0.000 1.094 70 F CA -0.018 58.068 58.000 0.143 0.000 1.217 70 F CB 0.085 39.154 39.000 0.115 0.000 1.056 70 F HN 0.117 nan 8.300 nan 0.000 0.577 71 S N 1.158 116.867 115.700 0.016 0.000 2.579 71 S HA 0.128 4.596 4.470 -0.002 0.000 0.275 71 S C 1.480 176.003 174.600 -0.127 0.000 1.345 71 S CA -0.584 57.580 58.200 -0.060 0.000 1.031 71 S CB 0.775 63.981 63.200 0.010 0.000 0.892 71 S HN 0.368 nan 8.310 nan 0.000 0.529 72 L N 2.043 123.189 121.223 -0.128 0.000 2.158 72 L HA -0.292 4.046 4.340 -0.002 0.000 0.249 72 L C 2.837 179.656 176.870 -0.084 0.000 1.097 72 L CA 2.051 56.822 54.840 -0.116 0.000 0.844 72 L CB -1.552 40.465 42.059 -0.069 0.000 0.940 72 L HN 1.027 nan 8.230 nan 0.000 0.436 73 G N -0.548 108.224 108.800 -0.047 0.000 2.657 73 G HA2 -0.339 3.620 3.960 -0.002 0.000 0.224 73 G HA3 -0.339 3.620 3.960 -0.002 0.000 0.224 73 G C 0.927 175.816 174.900 -0.018 0.000 1.086 73 G CA 0.920 46.002 45.100 -0.029 0.000 0.730 73 G HN 0.509 nan 8.290 nan 0.000 0.602 74 S N -1.173 114.519 115.700 -0.014 0.000 2.777 74 S HA -0.090 4.379 4.470 -0.002 0.000 0.333 74 S C 1.686 176.315 174.600 0.048 0.000 1.226 74 S CA 0.276 58.493 58.200 0.028 0.000 1.011 74 S CB 0.666 63.892 63.200 0.043 0.000 0.697 74 S HN 0.172 nan 8.310 nan 0.000 0.481 75 V N 6.304 126.272 119.914 0.091 0.000 2.358 75 V HA -0.094 4.025 4.120 -0.002 0.000 0.246 75 V C 1.852 178.045 176.094 0.165 0.000 1.047 75 V CA 2.010 64.371 62.300 0.102 0.000 1.035 75 V CB -0.725 31.162 31.823 0.107 0.000 0.658 75 V HN 1.029 nan 8.190 nan 0.000 0.452 76 W N 0.315 121.626 121.300 0.018 0.000 2.519 76 W HA -0.086 4.573 4.660 -0.002 0.000 0.266 76 W C 2.222 178.758 176.519 0.029 0.000 1.253 76 W CA 0.609 57.982 57.345 0.047 0.000 1.274 76 W CB 0.044 29.563 29.460 0.098 0.000 1.114 76 W HN 0.170 nan 8.180 nan 0.000 0.596 77 R N 0.199 120.698 120.500 -0.002 0.000 2.173 77 R HA 0.051 4.390 4.340 -0.002 0.000 0.208 77 R C 1.962 178.168 176.300 -0.156 0.000 1.035 77 R CA 0.540 56.543 56.100 -0.161 0.000 1.004 77 R CB -0.297 29.890 30.300 -0.188 0.000 0.917 77 R HN 0.284 nan 8.270 nan 0.000 0.462 78 R N -0.310 120.132 120.500 -0.096 0.000 2.280 78 R HA 0.215 4.554 4.340 -0.002 0.000 0.195 78 R C 1.049 177.294 176.300 -0.093 0.000 0.935 78 R CA -0.233 55.817 56.100 -0.082 0.000 1.033 78 R CB 0.161 30.433 30.300 -0.046 0.000 0.964 78 R HN 0.075 nan 8.270 nan 0.000 0.489 79 M N 2.048 121.578 119.600 -0.116 0.000 2.245 79 M HA -0.064 4.415 4.480 -0.002 0.000 0.335 79 M C -0.506 175.704 176.300 -0.151 0.000 1.155 79 M CA 0.645 55.869 55.300 -0.126 0.000 1.055 79 M CB 0.511 33.011 32.600 -0.165 0.000 1.670 79 M HN -0.051 nan 8.290 nan 0.000 0.447 80 D N 3.124 123.458 120.400 -0.110 0.000 2.382 80 D HA 0.128 4.767 4.640 -0.002 0.000 0.240 80 D C 0.688 176.910 176.300 -0.130 0.000 1.146 80 D CA 0.470 54.410 54.000 -0.100 0.000 0.897 80 D CB 1.128 41.887 40.800 -0.068 0.000 1.197 80 D HN 0.759 nan 8.370 nan 0.000 0.432 81 A N 1.745 124.496 122.820 -0.116 0.000 1.877 81 A HA -0.201 4.118 4.320 -0.002 0.000 0.216 81 A C 2.088 179.622 177.584 -0.085 0.000 1.186 81 A CA 2.191 54.158 52.037 -0.116 0.000 0.620 81 A CB -0.736 18.212 19.000 -0.087 0.000 0.822 81 A HN 0.596 nan 8.150 nan 0.000 0.443 82 S N -0.498 115.164 115.700 -0.064 0.000 2.440 82 S HA -0.208 4.261 4.470 -0.002 0.000 0.238 82 S C 1.710 176.282 174.600 -0.046 0.000 1.010 82 S CA 1.539 59.712 58.200 -0.045 0.000 0.972 82 S CB -0.351 62.826 63.200 -0.039 0.000 0.774 82 S HN 0.682 nan 8.310 nan 0.000 0.501 83 E N 1.070 121.230 120.200 -0.065 0.000 2.112 83 E HA -0.004 4.344 4.350 -0.002 0.000 0.190 83 E C 2.447 179.007 176.600 -0.068 0.000 0.979 83 E CA 0.344 56.705 56.400 -0.064 0.000 0.814 83 E CB 0.010 29.669 29.700 -0.069 0.000 0.762 83 E HN 0.530 nan 8.360 nan 0.000 0.460 84 R N -0.267 120.171 120.500 -0.103 0.000 2.105 84 R HA -0.123 4.215 4.340 -0.002 0.000 0.239 84 R C 2.397 178.729 176.300 0.053 0.000 1.135 84 R CA 1.178 57.241 56.100 -0.062 0.000 0.967 84 R CB -0.459 29.722 30.300 -0.198 0.000 0.861 84 R HN 0.185 nan 8.270 nan 0.000 0.442 85 G N 1.147 109.962 108.800 0.026 0.000 2.421 85 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.216 85 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.216 85 G C 1.445 176.371 174.900 0.043 0.000 1.171 85 G CA 0.228 45.362 45.100 0.056 0.000 0.775 85 G HN 0.185 nan 8.290 nan 0.000 0.543 86 R N 0.014 120.516 120.500 0.003 0.000 2.091 86 R HA 0.028 4.367 4.340 -0.002 0.000 0.238 86 R C 2.660 178.948 176.300 -0.020 0.000 1.136 86 R CA 0.794 56.891 56.100 -0.007 0.000 0.959 86 R CB -0.809 29.476 30.300 -0.025 0.000 0.856 86 R HN 0.371 nan 8.270 nan 0.000 0.437 87 L N 0.723 121.894 121.223 -0.087 0.000 2.079 87 L HA -0.202 4.137 4.340 -0.002 0.000 0.210 87 L C 2.472 179.330 176.870 -0.019 0.000 1.081 87 L CA 1.215 55.899 54.840 -0.260 0.000 0.752 87 L CB -0.425 41.203 42.059 -0.717 0.000 0.896 87 L HN 0.170 nan 8.230 nan 0.000 0.433 88 L N -0.784 120.541 121.223 0.171 0.000 2.156 88 L HA -0.194 4.144 4.340 -0.002 0.000 0.208 88 L C 2.025 179.014 176.870 0.199 0.000 1.095 88 L CA 1.061 56.084 54.840 0.305 0.000 0.770 88 L CB -0.359 41.880 42.059 0.300 0.000 0.914 88 L HN 0.256 nan 8.230 nan 0.000 0.439 89 D N -0.029 120.446 120.400 0.125 0.000 2.149 89 D HA -0.196 4.443 4.640 -0.002 0.000 0.201 89 D C 2.175 178.528 176.300 0.088 0.000 0.972 89 D CA 0.846 54.903 54.000 0.096 0.000 0.835 89 D CB 0.283 41.119 40.800 0.059 0.000 0.966 89 D HN -0.021 nan 8.370 nan 0.000 0.476 90 K N -0.255 120.189 120.400 0.074 0.000 2.057 90 K HA -0.095 4.224 4.320 -0.002 0.000 0.206 90 K C 1.929 178.595 176.600 0.110 0.000 1.050 90 K CA 0.718 57.045 56.287 0.068 0.000 0.935 90 K CB -0.321 32.198 32.500 0.031 0.000 0.715 90 K HN 0.117 nan 8.250 nan 0.000 0.439 91 L N 0.618 121.945 121.223 0.173 0.000 2.083 91 L HA -0.044 4.294 4.340 -0.002 0.000 0.209 91 L C 2.041 178.998 176.870 0.146 0.000 1.083 91 L CA 2.076 57.039 54.840 0.205 0.000 0.752 91 L CB -0.875 41.374 42.059 0.317 0.000 0.899 91 L HN 0.244 nan 8.230 nan 0.000 0.433 92 A N -0.885 122.016 122.820 0.135 0.000 1.902 92 A HA -0.204 4.115 4.320 -0.002 0.000 0.217 92 A C 2.011 179.642 177.584 0.078 0.000 1.181 92 A CA 1.807 53.907 52.037 0.104 0.000 0.623 92 A CB -0.742 18.321 19.000 0.105 0.000 0.818 92 A HN 0.529 nan 8.150 nan 0.000 0.443 93 D N 0.190 120.636 120.400 0.077 0.000 2.097 93 D HA -0.117 4.522 4.640 -0.002 0.000 0.195 93 D C 1.981 178.322 176.300 0.068 0.000 0.989 93 D CA 1.223 55.262 54.000 0.064 0.000 0.827 93 D CB -0.372 40.463 40.800 0.059 0.000 0.966 93 D HN 0.461 nan 8.370 nan 0.000 0.456 94 L N 0.539 121.810 121.223 0.081 0.000 2.083 94 L HA -0.138 4.201 4.340 -0.002 0.000 0.209 94 L C 2.569 179.496 176.870 0.094 0.000 1.083 94 L CA 0.519 55.413 54.840 0.090 0.000 0.752 94 L CB -0.375 41.741 42.059 0.095 0.000 0.899 94 L HN -0.078 nan 8.230 nan 0.000 0.433 95 V N -0.206 119.757 119.914 0.081 0.000 2.515 95 V HA -0.247 3.872 4.120 -0.002 0.000 0.250 95 V C 2.492 178.599 176.094 0.021 0.000 1.058 95 V CA 1.797 64.131 62.300 0.057 0.000 1.064 95 V CB -0.337 31.510 31.823 0.040 0.000 0.675 95 V HN 0.433 nan 8.190 nan 0.000 0.461 96 E N 0.795 121.011 120.200 0.026 0.000 2.047 96 E HA -0.213 4.136 4.350 -0.002 0.000 0.191 96 E C 2.370 178.993 176.600 0.039 0.000 0.987 96 E CA 1.480 57.885 56.400 0.009 0.000 0.799 96 E CB -0.323 29.391 29.700 0.024 0.000 0.752 96 E HN 0.456 nan 8.360 nan 0.000 0.449 97 R N 0.197 120.734 120.500 0.061 0.000 2.094 97 R HA -0.156 4.183 4.340 -0.002 0.000 0.239 97 R C 0.481 176.834 176.300 0.089 0.000 1.137 97 R CA 2.027 58.173 56.100 0.077 0.000 0.943 97 R CB -0.320 30.028 30.300 0.081 0.000 0.850 97 R HN 0.146 nan 8.270 nan 0.000 0.433 98 D N -0.229 120.228 120.400 0.096 0.000 2.370 98 D HA 0.015 4.654 4.640 -0.002 0.000 0.230 98 D C 1.206 177.527 176.300 0.035 0.000 1.143 98 D CA 0.044 54.098 54.000 0.089 0.000 0.834 98 D CB 0.033 40.936 40.800 0.171 0.000 0.944 98 D HN 0.261 nan 8.370 nan 0.000 0.504 99 R N 1.008 121.535 120.500 0.045 0.000 2.117 99 R HA -0.208 4.131 4.340 -0.002 0.000 0.243 99 R C 1.811 178.207 176.300 0.160 0.000 1.143 99 R CA 1.548 57.645 56.100 -0.005 0.000 0.968 99 R CB 0.026 30.245 30.300 -0.135 0.000 0.863 99 R HN 0.181 nan 8.270 nan 0.000 0.444 100 A N -0.150 122.845 122.820 0.292 0.000 1.873 100 A HA -0.172 4.147 4.320 -0.002 0.000 0.215 100 A C 2.266 179.968 177.584 0.197 0.000 1.186 100 A CA 2.030 54.262 52.037 0.326 0.000 0.616 100 A CB -1.057 18.057 19.000 0.190 0.000 0.823 100 A HN 0.626 nan 8.150 nan 0.000 0.442 101 T N -1.701 112.874 114.554 0.034 0.000 2.857 101 T HA -0.030 4.318 4.350 -0.002 0.000 0.266 101 T C 1.886 176.492 174.700 -0.157 0.000 1.048 101 T CA 1.379 63.428 62.100 -0.086 0.000 1.139 101 T CB -0.481 68.272 68.868 -0.192 0.000 0.874 101 T HN 0.259 nan 8.240 nan 0.000 0.455 102 L N 0.792 121.892 121.223 -0.205 0.000 2.046 102 L HA 0.048 4.387 4.340 -0.002 0.000 0.208 102 L C 3.273 180.099 176.870 -0.074 0.000 1.077 102 L CA 1.401 56.111 54.840 -0.216 0.000 0.747 102 L CB -0.642 41.305 42.059 -0.187 0.000 0.896 102 L HN 0.455 nan 8.230 nan 0.000 0.432 103 A N -1.277 121.543 122.820 -0.001 0.000 2.066 103 A HA -0.138 4.181 4.320 -0.002 0.000 0.218 103 A C 2.259 179.970 177.584 0.211 0.000 1.157 103 A CA 1.812 53.853 52.037 0.006 0.000 0.670 103 A CB -0.601 18.312 19.000 -0.146 0.000 0.804 103 A HN 0.366 nan 8.150 nan 0.000 0.453 104 T N -0.002 114.749 114.554 0.327 0.000 2.701 104 T HA -0.139 4.210 4.350 -0.002 0.000 0.263 104 T C 1.972 176.829 174.700 0.261 0.000 1.040 104 T CA 1.786 64.100 62.100 0.357 0.000 1.147 104 T CB -0.284 68.650 68.868 0.109 0.000 0.865 104 T HN 0.451 nan 8.240 nan 0.000 0.426 105 M N 0.595 120.259 119.600 0.107 0.000 2.086 105 M HA -0.121 4.358 4.480 -0.002 0.000 0.261 105 M C 2.457 178.801 176.300 0.073 0.000 1.067 105 M CA 1.509 56.846 55.300 0.062 0.000 1.116 105 M CB -0.315 32.272 32.600 -0.022 0.000 1.348 105 M HN 0.115 nan 8.290 nan 0.000 0.407 106 E N -0.023 120.213 120.200 0.060 0.000 2.118 106 E HA -0.187 4.161 4.350 -0.002 0.000 0.195 106 E C 2.068 178.721 176.600 0.089 0.000 0.992 106 E CA 1.824 58.255 56.400 0.050 0.000 0.804 106 E CB -0.122 29.593 29.700 0.025 0.000 0.741 106 E HN 0.327 nan 8.360 nan 0.000 0.458 107 S N -0.888 114.922 115.700 0.183 0.000 2.348 107 S HA -0.007 4.461 4.470 -0.002 0.000 0.219 107 S C 1.776 176.450 174.600 0.123 0.000 1.033 107 S CA 0.728 59.064 58.200 0.226 0.000 0.974 107 S CB -0.412 63.090 63.200 0.505 0.000 0.868 107 S HN 0.391 nan 8.310 nan 0.000 0.459 108 L N 2.065 123.397 121.223 0.181 0.000 2.079 108 L HA -0.093 4.245 4.340 -0.002 0.000 0.210 108 L C 2.062 178.925 176.870 -0.011 0.000 1.081 108 L CA 2.001 56.865 54.840 0.040 0.000 0.752 108 L CB -1.322 40.850 42.059 0.189 0.000 0.896 108 L HN 0.413 nan 8.230 nan 0.000 0.433 109 N N -0.054 118.657 118.700 0.018 0.000 2.278 109 N HA -0.051 4.688 4.740 -0.002 0.000 0.181 109 N C 1.700 177.198 175.510 -0.020 0.000 1.023 109 N CA 1.412 54.460 53.050 -0.002 0.000 0.862 109 N CB 0.069 38.563 38.487 0.012 0.000 1.003 109 N HN 0.360 nan 8.380 nan 0.000 0.431 110 G N -1.307 107.488 108.800 -0.009 0.000 2.838 110 G HA2 0.230 4.188 3.960 -0.002 0.000 0.210 110 G HA3 0.230 4.188 3.960 -0.002 0.000 0.210 110 G C 0.713 175.577 174.900 -0.060 0.000 1.153 110 G CA 0.446 45.529 45.100 -0.028 0.000 0.778 110 G HN 0.551 nan 8.290 nan 0.000 0.539 111 G N -0.064 108.705 108.800 -0.051 0.000 2.225 111 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.264 111 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.264 111 G C 0.073 174.953 174.900 -0.034 0.000 1.060 111 G CA 0.488 45.543 45.100 -0.075 0.000 0.833 111 G HN 0.689 nan 8.290 nan 0.000 0.498 112 K N 0.901 121.310 120.400 0.016 0.000 2.206 112 K HA 0.517 4.836 4.320 -0.002 0.000 0.264 112 K C -2.118 174.560 176.600 0.131 0.000 0.967 112 K CA -2.477 53.836 56.287 0.043 0.000 0.844 112 K CB 1.775 34.281 32.500 0.010 0.000 1.099 112 K HN -0.020 nan 8.250 nan 0.000 0.441 113 P HA -0.160 nan 4.420 nan 0.000 0.255 113 P C 0.386 177.853 177.300 0.279 0.000 1.161 113 P CA 0.387 63.625 63.100 0.231 0.000 0.768 113 P CB 0.092 31.919 31.700 0.211 0.000 0.746 114 F N 5.358 125.435 119.950 0.211 0.000 2.063 114 F HA -0.309 4.217 4.527 -0.002 0.000 0.297 114 F C 2.046 177.933 175.800 0.145 0.000 1.099 114 F CA 1.875 59.986 58.000 0.183 0.000 1.220 114 F CB -0.734 38.360 39.000 0.157 0.000 0.972 114 F HN 0.161 nan 8.300 nan 0.000 0.487 115 L N -0.369 120.973 121.223 0.198 0.000 2.079 115 L HA -0.285 4.054 4.340 -0.002 0.000 0.210 115 L C 2.530 179.479 176.870 0.130 0.000 1.081 115 L CA 1.780 56.683 54.840 0.106 0.000 0.752 115 L CB -0.855 41.357 42.059 0.254 0.000 0.896 115 L HN 0.339 nan 8.230 nan 0.000 0.433 116 Q N -0.399 119.507 119.800 0.176 0.000 2.079 116 Q HA -0.147 4.192 4.340 -0.002 0.000 0.200 116 Q C 2.471 178.555 176.000 0.139 0.000 0.974 116 Q CA 1.416 57.352 55.803 0.222 0.000 0.840 116 Q CB -0.264 28.639 28.738 0.274 0.000 0.898 116 Q HN 0.549 nan 8.270 nan 0.000 0.430 117 A N 0.542 123.392 122.820 0.049 0.000 1.940 117 A HA -0.194 4.125 4.320 -0.002 0.000 0.219 117 A C 1.836 179.344 177.584 -0.127 0.000 1.176 117 A CA 1.126 53.152 52.037 -0.018 0.000 0.631 117 A CB -0.642 18.341 19.000 -0.028 0.000 0.814 117 A HN 0.404 nan 8.150 nan 0.000 0.446 118 F N -1.444 118.240 119.950 -0.443 0.000 2.128 118 F HA -0.043 4.483 4.527 -0.002 0.000 0.295 118 F C 1.920 177.474 175.800 -0.410 0.000 1.100 118 F CA 1.454 59.108 58.000 -0.575 0.000 1.260 118 F CB -0.068 38.353 39.000 -0.963 0.000 1.009 118 F HN 0.267 nan 8.300 nan 0.000 0.476 119 Y N -0.495 119.844 120.300 0.065 0.000 2.517 119 Y HA 0.145 4.694 4.550 -0.002 0.000 0.281 119 Y C 1.761 177.663 175.900 0.004 0.000 1.125 119 Y CA 0.411 58.532 58.100 0.035 0.000 1.283 119 Y CB -0.166 38.367 38.460 0.123 0.000 1.042 119 Y HN 0.052 nan 8.280 nan 0.000 0.547 120 I N -1.267 119.393 120.570 0.150 0.000 3.744 120 I HA -0.041 4.128 4.170 -0.002 0.000 0.240 120 I C 1.492 177.649 176.117 0.067 0.000 1.096 120 I CA 0.334 61.718 61.300 0.139 0.000 1.558 120 I CB -0.231 37.916 38.000 0.245 0.000 1.531 120 I HN -0.185 nan 8.210 nan 0.000 0.459 121 D N 1.512 121.954 120.400 0.070 0.000 2.133 121 D HA -0.207 4.432 4.640 -0.002 0.000 0.192 121 D C 1.956 178.201 176.300 -0.093 0.000 1.001 121 D CA 1.652 55.650 54.000 -0.002 0.000 0.844 121 D CB -0.223 40.595 40.800 0.030 0.000 0.944 121 D HN 0.133 nan 8.370 nan 0.000 0.447 122 L N 0.082 121.219 121.223 -0.144 0.000 2.478 122 L HA -0.003 4.336 4.340 -0.002 0.000 0.223 122 L C 2.194 178.966 176.870 -0.164 0.000 1.140 122 L CA 0.665 55.388 54.840 -0.195 0.000 0.842 122 L CB -0.173 41.696 42.059 -0.317 0.000 0.953 122 L HN 0.038 nan 8.230 nan 0.000 0.452 123 Q N -0.439 119.293 119.800 -0.113 0.000 2.083 123 Q HA -0.120 4.219 4.340 -0.002 0.000 0.198 123 Q C 2.188 178.181 176.000 -0.011 0.000 0.969 123 Q CA 1.454 57.227 55.803 -0.051 0.000 0.838 123 Q CB -0.210 28.533 28.738 0.009 0.000 0.900 123 Q HN 0.471 nan 8.270 nan 0.000 0.436 124 G N 0.295 109.090 108.800 -0.010 0.000 2.418 124 G HA2 -0.226 3.733 3.960 -0.002 0.000 0.217 124 G HA3 -0.226 3.733 3.960 -0.002 0.000 0.217 124 G C 1.427 176.320 174.900 -0.011 0.000 1.158 124 G CA 1.031 46.144 45.100 0.021 0.000 0.771 124 G HN 0.285 nan 8.290 nan 0.000 0.545 125 V N 1.279 121.139 119.914 -0.091 0.000 2.255 125 V HA -0.190 3.929 4.120 -0.002 0.000 0.247 125 V C 2.806 178.913 176.094 0.022 0.000 1.051 125 V CA 1.781 64.037 62.300 -0.073 0.000 1.018 125 V CB -0.417 31.352 31.823 -0.089 0.000 0.641 125 V HN 0.405 nan 8.190 nan 0.000 0.445 126 I N -0.818 119.756 120.570 0.008 0.000 2.252 126 I HA -0.174 3.995 4.170 -0.002 0.000 0.245 126 I C 2.639 178.808 176.117 0.087 0.000 1.102 126 I CA 1.234 62.558 61.300 0.040 0.000 1.385 126 I CB -0.496 37.502 38.000 -0.002 0.000 1.064 126 I HN 0.229 nan 8.210 nan 0.000 0.414 127 K N 0.682 121.133 120.400 0.085 0.000 2.026 127 K HA -0.180 4.139 4.320 -0.002 0.000 0.208 127 K C 2.251 178.972 176.600 0.202 0.000 1.048 127 K CA 2.231 58.589 56.287 0.119 0.000 0.929 127 K CB -0.808 31.748 32.500 0.095 0.000 0.713 127 K HN 0.490 nan 8.250 nan 0.000 0.439 128 T N -0.046 114.658 114.554 0.250 0.000 2.777 128 T HA -0.077 4.272 4.350 -0.002 0.000 0.266 128 T C 2.259 177.235 174.700 0.460 0.000 1.040 128 T CA 0.799 63.151 62.100 0.420 0.000 1.141 128 T CB -0.449 68.734 68.868 0.525 0.000 0.868 128 T HN 0.051 nan 8.240 nan 0.000 0.444 129 L N 0.264 121.671 121.223 0.307 0.000 1.989 129 L HA -0.094 4.245 4.340 -0.002 0.000 0.211 129 L C 3.459 180.484 176.870 0.258 0.000 1.071 129 L CA 1.487 56.493 54.840 0.277 0.000 0.749 129 L CB -0.387 41.787 42.059 0.192 0.000 0.890 129 L HN 0.177 nan 8.230 nan 0.000 0.431 130 R N -0.885 119.736 120.500 0.201 0.000 2.083 130 R HA -0.245 4.094 4.340 -0.002 0.000 0.237 130 R C 2.167 178.554 176.300 0.144 0.000 1.137 130 R CA 1.886 58.076 56.100 0.149 0.000 0.951 130 R CB -1.154 29.216 30.300 0.116 0.000 0.851 130 R HN 0.351 nan 8.270 nan 0.000 0.434 131 Y N 0.617 120.950 120.300 0.056 0.000 2.081 131 Y HA -0.307 4.241 4.550 -0.002 0.000 0.280 131 Y C 2.028 177.890 175.900 -0.063 0.000 1.163 131 Y CA 1.665 59.733 58.100 -0.052 0.000 1.135 131 Y CB -0.661 37.743 38.460 -0.093 0.000 0.970 131 Y HN 0.027 nan 8.280 nan 0.000 0.498 132 Y N -0.495 119.870 120.300 0.109 0.000 2.439 132 Y HA 0.007 4.556 4.550 -0.002 0.000 0.292 132 Y C 2.547 178.491 175.900 0.073 0.000 1.130 132 Y CA 0.829 58.990 58.100 0.102 0.000 1.254 132 Y CB -0.842 37.750 38.460 0.220 0.000 1.000 132 Y HN 0.247 nan 8.280 nan 0.000 0.554 133 A N -0.168 122.764 122.820 0.187 0.000 2.019 133 A HA -0.116 4.203 4.320 -0.002 0.000 0.219 133 A C 2.515 180.115 177.584 0.027 0.000 1.164 133 A CA 1.727 53.839 52.037 0.126 0.000 0.644 133 A CB -1.228 17.838 19.000 0.110 0.000 0.805 133 A HN 0.459 nan 8.150 nan 0.000 0.449 134 G N -2.244 106.501 108.800 -0.091 0.000 2.453 134 G HA2 -0.148 3.811 3.960 -0.002 0.000 0.215 134 G HA3 -0.148 3.811 3.960 -0.002 0.000 0.215 134 G C 1.342 176.114 174.900 -0.214 0.000 1.147 134 G CA 0.498 45.474 45.100 -0.207 0.000 0.802 134 G HN 0.661 nan 8.290 nan 0.000 0.535 135 W N 1.092 122.265 121.300 -0.212 0.000 2.465 135 W HA 0.155 4.814 4.660 -0.002 0.000 0.268 135 W C 2.828 179.292 176.519 -0.092 0.000 1.242 135 W CA 0.412 57.656 57.345 -0.167 0.000 1.248 135 W CB 0.275 29.645 29.460 -0.151 0.000 1.118 135 W HN 0.278 nan 8.180 nan 0.000 0.587 136 A N 1.213 124.148 122.820 0.191 0.000 1.915 136 A HA -0.309 4.010 4.320 -0.002 0.000 0.220 136 A C 1.339 178.938 177.584 0.025 0.000 1.198 136 A CA 2.438 54.535 52.037 0.100 0.000 0.647 136 A CB -0.957 18.084 19.000 0.068 0.000 0.825 136 A HN 0.381 nan 8.150 nan 0.000 0.456 137 D N -1.984 118.415 120.400 -0.001 0.000 2.525 137 D HA 0.190 4.829 4.640 -0.002 0.000 0.229 137 D C 0.437 176.679 176.300 -0.098 0.000 1.202 137 D CA 0.017 53.986 54.000 -0.052 0.000 0.828 137 D CB 0.008 40.781 40.800 -0.045 0.000 1.008 137 D HN 0.477 nan 8.370 nan 0.000 0.493 138 K N 0.255 120.613 120.400 -0.070 0.000 2.536 138 K HA 0.303 4.622 4.320 -0.002 0.000 0.203 138 K C -0.013 176.414 176.600 -0.288 0.000 1.063 138 K CA -0.322 55.877 56.287 -0.147 0.000 1.063 138 K CB 1.214 33.786 32.500 0.121 0.000 0.843 138 K HN 0.120 nan 8.250 nan 0.000 0.521 139 I N 2.595 122.980 120.570 -0.309 0.000 2.269 139 I HA 0.108 4.277 4.170 -0.002 0.000 0.293 139 I C -0.397 175.454 176.117 -0.443 0.000 1.106 139 I CA -0.489 60.627 61.300 -0.307 0.000 1.248 139 I CB -0.016 37.877 38.000 -0.179 0.000 1.444 139 I HN 0.108 nan 8.210 nan 0.000 0.497 140 H N 3.415 122.379 119.070 -0.176 0.000 2.479 140 H HA 0.670 5.225 4.556 -0.002 0.000 0.335 140 H C 0.614 175.796 175.328 -0.244 0.000 1.142 140 H CA -0.533 55.431 56.048 -0.140 0.000 1.234 140 H CB 1.292 31.021 29.762 -0.055 0.000 1.503 140 H HN 0.583 nan 8.280 nan 0.000 0.510 141 G N 0.549 109.416 108.800 0.112 0.000 2.671 141 G HA2 0.614 4.573 3.960 -0.002 0.000 0.275 141 G HA3 0.614 4.573 3.960 -0.002 0.000 0.275 141 G C -0.701 174.310 174.900 0.186 0.000 1.368 141 G CA -1.038 44.215 45.100 0.256 0.000 1.044 141 G HN 0.627 nan 8.290 nan 0.000 0.543 142 M N -0.903 118.805 119.600 0.181 0.000 2.664 142 M HA 0.566 5.044 4.480 -0.002 0.000 0.279 142 M C -0.773 175.593 176.300 0.110 0.000 1.275 142 M CA -0.962 54.411 55.300 0.122 0.000 0.829 142 M CB 2.145 34.799 32.600 0.090 0.000 1.727 142 M HN 0.506 nan 8.290 nan 0.000 0.459 143 T N -0.094 114.511 114.554 0.085 0.000 2.771 143 T HA 0.713 5.062 4.350 -0.002 0.000 0.281 143 T C -0.540 174.181 174.700 0.035 0.000 0.982 143 T CA -0.691 61.443 62.100 0.056 0.000 0.978 143 T CB 0.691 69.653 68.868 0.157 0.000 0.930 143 T HN 0.522 nan 8.240 nan 0.000 0.447 144 I N 5.296 125.853 120.570 -0.022 0.000 2.339 144 I HA 0.357 4.526 4.170 -0.002 0.000 0.290 144 I C -2.104 174.029 176.117 0.025 0.000 0.994 144 I CA -3.138 58.160 61.300 -0.002 0.000 1.191 144 I CB 1.308 39.288 38.000 -0.034 0.000 1.343 144 I HN 0.540 nan 8.210 nan 0.000 0.458 145 P HA 0.185 nan 4.420 nan 0.000 0.269 145 P C -0.410 176.926 177.300 0.060 0.000 1.263 145 P CA 0.108 63.252 63.100 0.074 0.000 0.813 145 P CB 1.168 32.906 31.700 0.064 0.000 0.868 146 V N 3.652 123.613 119.914 0.079 0.000 2.881 146 V HA 0.233 4.352 4.120 -0.002 0.000 0.316 146 V C 0.386 176.548 176.094 0.114 0.000 1.070 146 V CA -0.604 61.740 62.300 0.073 0.000 0.976 146 V CB 1.884 33.736 31.823 0.049 0.000 1.038 146 V HN 0.408 nan 8.190 nan 0.000 0.446 147 D N 2.013 122.475 120.400 0.103 0.000 2.382 147 D HA 0.514 5.153 4.640 -0.002 0.000 0.245 147 D C 0.518 176.949 176.300 0.218 0.000 1.120 147 D CA 1.707 55.778 54.000 0.120 0.000 0.890 147 D CB 1.101 41.951 40.800 0.084 0.000 1.201 147 D HN 1.041 nan 8.370 nan 0.000 0.433 148 G N 2.170 111.059 108.800 0.148 0.000 2.710 148 G HA2 -0.176 3.782 3.960 -0.002 0.000 0.668 148 G HA3 -0.176 3.782 3.960 -0.002 0.000 0.668 148 G C -0.807 174.057 174.900 -0.059 0.000 1.320 148 G CA -0.843 44.309 45.100 0.086 0.000 0.860 148 G HN 0.481 nan 8.290 nan 0.000 0.538 149 D N 1.131 121.312 120.400 -0.364 0.000 2.608 149 D HA 0.459 5.097 4.640 -0.002 0.000 0.224 149 D C -0.108 175.894 176.300 -0.496 0.000 1.123 149 D CA 0.893 54.694 54.000 -0.331 0.000 1.030 149 D CB -0.170 40.460 40.800 -0.284 0.000 1.093 149 D HN 0.310 nan 8.370 nan 0.000 0.497 150 Y N -0.161 120.192 120.300 0.088 0.000 2.790 150 Y HA 0.573 5.122 4.550 -0.002 0.000 0.323 150 Y C -0.665 175.371 175.900 0.228 0.000 1.230 150 Y CA -1.558 56.614 58.100 0.120 0.000 1.121 150 Y CB 1.445 39.945 38.460 0.067 0.000 1.328 150 Y HN -0.028 nan 8.280 nan 0.000 0.514 151 F N 1.303 121.403 119.950 0.250 0.000 2.991 151 F HA 0.442 4.968 4.527 -0.001 0.000 0.355 151 F C -1.037 174.857 175.800 0.157 0.000 1.262 151 F CA -0.636 57.471 58.000 0.179 0.000 1.127 151 F CB 0.784 39.885 39.000 0.169 0.000 1.447 151 F HN 0.437 nan 8.300 nan 0.000 0.584 152 T N 4.119 118.438 114.554 -0.392 0.000 2.855 152 T HA 0.847 5.196 4.350 -0.002 0.000 0.281 152 T C -0.925 173.442 174.700 -0.555 0.000 1.007 152 T CA -0.356 61.470 62.100 -0.456 0.000 1.009 152 T CB 1.521 70.225 68.868 -0.274 0.000 0.983 152 T HN 0.706 nan 8.240 nan 0.000 0.455 153 F N -0.198 119.482 119.950 -0.451 0.000 2.643 153 F HA 0.837 5.363 4.527 -0.002 0.000 0.314 153 F C -0.539 175.172 175.800 -0.147 0.000 1.096 153 F CA -1.020 56.787 58.000 -0.323 0.000 0.953 153 F CB 1.288 40.088 39.000 -0.333 0.000 1.345 153 F HN 0.807 nan 8.300 nan 0.000 0.468 154 T N -0.584 114.076 114.554 0.176 0.000 2.908 154 T HA 0.745 5.094 4.350 -0.002 0.000 0.290 154 T C -0.972 173.884 174.700 0.260 0.000 1.034 154 T CA -0.998 61.161 62.100 0.099 0.000 1.010 154 T CB 2.076 70.964 68.868 0.033 0.000 1.068 154 T HN 0.897 nan 8.240 nan 0.000 0.481 155 R N 0.855 121.462 120.500 0.179 0.000 2.561 155 R HA 0.378 4.716 4.340 -0.002 0.000 0.297 155 R C -1.235 175.154 176.300 0.148 0.000 0.969 155 R CA -0.847 55.380 56.100 0.212 0.000 0.879 155 R CB 1.241 31.655 30.300 0.189 0.000 1.178 155 R HN 0.694 nan 8.270 nan 0.000 0.445 156 H N 1.861 120.958 119.070 0.045 0.000 2.872 156 H HA 0.151 4.705 4.556 -0.002 0.000 0.273 156 H C -0.327 175.020 175.328 0.032 0.000 1.205 156 H CA -0.065 55.998 56.048 0.026 0.000 1.342 156 H CB 0.432 30.198 29.762 0.007 0.000 1.469 156 H HN 0.383 nan 8.280 nan 0.000 0.487 157 E N 4.435 124.699 120.200 0.107 0.000 2.254 157 E HA 0.286 4.635 4.350 -0.002 0.000 0.261 157 E C -2.314 174.369 176.600 0.137 0.000 1.051 157 E CA -2.227 54.241 56.400 0.114 0.000 0.902 157 E CB 0.871 30.631 29.700 0.099 0.000 1.168 157 E HN 0.373 nan 8.360 nan 0.000 0.423 158 P HA 0.097 nan 4.420 nan 0.000 0.276 158 P C 0.283 177.686 177.300 0.173 0.000 1.244 158 P CA 0.021 63.244 63.100 0.206 0.000 0.801 158 P CB 1.038 32.935 31.700 0.329 0.000 1.006 159 I N -0.107 120.489 120.570 0.042 0.000 2.333 159 I HA 0.035 4.203 4.170 -0.002 0.000 0.246 159 I C 1.636 177.658 176.117 -0.158 0.000 1.106 159 I CA 1.891 63.180 61.300 -0.019 0.000 1.411 159 I CB -0.544 37.436 38.000 -0.034 0.000 1.082 159 I HN 0.661 nan 8.210 nan 0.000 0.420 160 G N -0.135 108.340 108.800 -0.542 0.000 2.181 160 G HA2 -0.094 3.865 3.960 -0.002 0.000 0.098 160 G HA3 -0.094 3.865 3.960 -0.002 0.000 0.098 160 G C -0.899 173.565 174.900 -0.727 0.000 1.237 160 G CA -0.493 43.958 45.100 -1.081 0.000 1.238 160 G HN -0.156 nan 8.290 nan 0.000 0.468 161 V N 0.964 120.649 119.914 -0.381 0.000 2.455 161 V HA 0.432 4.551 4.120 -0.002 0.000 0.273 161 V C 0.177 176.183 176.094 -0.148 0.000 1.045 161 V CA -0.170 61.993 62.300 -0.229 0.000 0.976 161 V CB 0.507 32.240 31.823 -0.149 0.000 0.993 161 V HN 0.791 nan 8.190 nan 0.000 0.475 162 C N 5.113 124.343 119.300 -0.117 0.000 2.281 162 C HA 0.696 5.154 4.460 -0.002 0.000 0.323 162 C C 1.004 175.972 174.990 -0.037 0.000 1.270 162 C CA -0.950 58.044 59.018 -0.039 0.000 1.559 162 C CB 0.256 28.019 27.740 0.039 0.000 2.239 162 C HN 1.025 nan 8.230 nan 0.000 0.488 163 G N 2.863 111.655 108.800 -0.014 0.000 2.420 163 G HA2 0.572 4.531 3.960 -0.002 0.000 0.284 163 G HA3 0.572 4.531 3.960 -0.002 0.000 0.284 163 G C -0.967 173.951 174.900 0.030 0.000 1.177 163 G CA -0.115 44.982 45.100 -0.005 0.000 0.841 163 G HN 0.793 nan 8.290 nan 0.000 0.527 164 Q N 0.179 119.993 119.800 0.025 0.000 2.289 164 Q HA 0.479 4.818 4.340 -0.002 0.000 0.270 164 Q C -1.263 174.771 176.000 0.056 0.000 1.038 164 Q CA -0.511 55.316 55.803 0.039 0.000 0.812 164 Q CB 2.979 31.705 28.738 -0.020 0.000 1.300 164 Q HN 0.482 nan 8.270 nan 0.000 0.427 165 I N 4.281 124.903 120.570 0.087 0.000 2.478 165 I HA 0.494 4.663 4.170 -0.002 0.000 0.287 165 I C -0.592 175.506 176.117 -0.032 0.000 1.042 165 I CA -0.898 60.464 61.300 0.104 0.000 1.067 165 I CB 1.473 39.646 38.000 0.289 0.000 1.233 165 I HN 0.532 nan 8.210 nan 0.000 0.431 166 I N 5.916 126.469 120.570 -0.028 0.000 2.934 166 I HA 0.739 4.908 4.170 -0.002 0.000 0.306 166 I C -2.883 173.181 176.117 -0.088 0.000 1.110 166 I CA -2.327 58.913 61.300 -0.099 0.000 1.019 166 I CB 2.149 40.143 38.000 -0.011 0.000 1.227 166 I HN 0.217 nan 8.210 nan 0.000 0.434 167 P HA 0.181 nan 4.420 nan 0.000 0.297 167 P C 0.372 177.566 177.300 -0.177 0.000 1.303 167 P CA 0.045 62.989 63.100 -0.261 0.000 0.753 167 P CB 0.603 32.012 31.700 -0.484 0.000 1.281 168 W N -1.183 120.088 121.300 -0.048 0.000 3.114 168 W HA 0.148 4.807 4.660 -0.002 0.000 0.279 168 W C 1.085 177.523 176.519 -0.135 0.000 1.277 168 W CA -0.193 57.108 57.345 -0.075 0.000 1.630 168 W CB -1.744 27.660 29.460 -0.094 0.000 1.087 168 W HN 0.164 nan 8.180 nan 0.000 0.637 169 N N 1.580 119.964 118.700 -0.527 0.000 2.060 169 N HA -0.202 4.537 4.740 -0.002 0.000 0.195 169 N C -0.302 174.774 175.510 -0.724 0.000 1.028 169 N CA 1.726 54.416 53.050 -0.601 0.000 0.861 169 N CB -0.581 37.525 38.487 -0.635 0.000 1.029 169 N HN 0.120 nan 8.380 nan 0.000 0.428 170 F N -0.967 118.955 119.950 -0.047 0.000 2.766 170 F HA 0.339 4.864 4.527 -0.002 0.000 0.355 170 F C -1.974 173.787 175.800 -0.064 0.000 1.434 170 F CA -1.669 56.300 58.000 -0.053 0.000 1.139 170 F CB 1.757 40.715 39.000 -0.070 0.000 1.816 170 F HN -0.183 nan 8.300 nan 0.000 0.600 171 P HA -0.307 nan 4.420 nan 0.000 0.218 171 P C 2.019 179.347 177.300 0.047 0.000 1.132 171 P CA 1.518 64.658 63.100 0.066 0.000 0.968 171 P CB 0.375 32.102 31.700 0.046 0.000 0.783 172 L N -1.643 119.571 121.223 -0.014 0.000 2.027 172 L HA -0.112 4.226 4.340 -0.002 0.000 0.206 172 L C 2.426 179.238 176.870 -0.097 0.000 1.074 172 L CA 1.621 56.423 54.840 -0.063 0.000 0.745 172 L CB -1.404 40.595 42.059 -0.100 0.000 0.898 172 L HN -0.078 nan 8.230 nan 0.000 0.433 173 L N -1.641 119.444 121.223 -0.230 0.000 1.989 173 L HA -0.293 4.045 4.340 -0.002 0.000 0.211 173 L C 2.569 179.016 176.870 -0.706 0.000 1.071 173 L CA 1.426 55.849 54.840 -0.695 0.000 0.749 173 L CB -0.398 41.101 42.059 -0.934 0.000 0.890 173 L HN 0.309 nan 8.230 nan 0.000 0.431 174 M N -1.118 118.356 119.600 -0.209 0.000 2.073 174 M HA -0.287 4.192 4.480 -0.002 0.000 0.258 174 M C 2.340 178.724 176.300 0.140 0.000 1.070 174 M CA 1.849 57.227 55.300 0.129 0.000 1.103 174 M CB -1.475 31.223 32.600 0.163 0.000 1.321 174 M HN 0.200 nan 8.290 nan 0.000 0.405 175 F N 1.531 121.453 119.950 -0.046 0.000 2.065 175 F HA -0.247 4.279 4.527 -0.002 0.000 0.298 175 F C 2.279 178.048 175.800 -0.051 0.000 1.112 175 F CA 2.290 60.267 58.000 -0.038 0.000 1.212 175 F CB -0.664 38.309 39.000 -0.046 0.000 0.975 175 F HN 0.179 nan 8.300 nan 0.000 0.476 176 T N -0.243 114.421 114.554 0.183 0.000 2.674 176 T HA -0.251 4.098 4.350 -0.002 0.000 0.265 176 T C 1.652 176.375 174.700 0.038 0.000 1.039 176 T CA 1.591 63.728 62.100 0.063 0.000 1.150 176 T CB -0.834 68.028 68.868 -0.011 0.000 0.864 176 T HN 0.401 nan 8.240 nan 0.000 0.427 177 W N 2.194 123.507 121.300 0.022 0.000 2.359 177 W HA -0.005 4.654 4.660 -0.002 0.000 0.275 177 W C 2.143 178.600 176.519 -0.105 0.000 1.217 177 W CA 0.530 57.872 57.345 -0.004 0.000 1.196 177 W CB -0.559 28.920 29.460 0.032 0.000 1.129 177 W HN 0.396 nan 8.180 nan 0.000 0.566 178 K N -1.176 119.249 120.400 0.043 0.000 2.141 178 K HA -0.043 4.276 4.320 -0.002 0.000 0.202 178 K C 1.873 178.265 176.600 -0.347 0.000 1.045 178 K CA 0.472 56.690 56.287 -0.116 0.000 0.971 178 K CB -0.245 32.199 32.500 -0.094 0.000 0.795 178 K HN -0.111 nan 8.250 nan 0.000 0.459 179 I N 2.043 122.364 120.570 -0.414 0.000 2.099 179 I HA -0.255 3.914 4.170 -0.002 0.000 0.239 179 I C 2.588 178.501 176.117 -0.341 0.000 1.066 179 I CA 1.475 62.500 61.300 -0.458 0.000 1.324 179 I CB -1.530 36.124 38.000 -0.575 0.000 1.037 179 I HN 0.091 nan 8.210 nan 0.000 0.401 180 A N 1.739 124.421 122.820 -0.230 0.000 1.859 180 A HA -0.194 4.125 4.320 -0.002 0.000 0.218 180 A C 0.285 177.637 177.584 -0.388 0.000 1.209 180 A CA 2.435 54.370 52.037 -0.170 0.000 0.639 180 A CB -2.267 16.729 19.000 -0.007 0.000 0.835 180 A HN 0.300 nan 8.150 nan 0.000 0.450 181 P HA -0.165 nan 4.420 nan 0.000 0.215 181 P C 1.759 178.748 177.300 -0.518 0.000 1.157 181 P CA 2.175 64.838 63.100 -0.729 0.000 0.874 181 P CB -0.168 31.207 31.700 -0.541 0.000 0.790 182 A N -0.552 121.756 122.820 -0.853 0.000 1.845 182 A HA -0.160 4.159 4.320 -0.002 0.000 0.215 182 A C 2.259 179.727 177.584 -0.194 0.000 1.195 182 A CA 1.515 53.091 52.037 -0.768 0.000 0.616 182 A CB -1.669 16.784 19.000 -0.911 0.000 0.832 182 A HN 0.088 nan 8.150 nan 0.000 0.443 183 L N -0.569 120.593 121.223 -0.101 0.000 2.083 183 L HA -0.232 4.107 4.340 -0.002 0.000 0.209 183 L C 2.822 179.876 176.870 0.307 0.000 1.083 183 L CA 1.325 56.302 54.840 0.227 0.000 0.752 183 L CB -0.780 41.391 42.059 0.186 0.000 0.899 183 L HN 0.714 nan 8.230 nan 0.000 0.433 184 C N -0.487 118.898 119.300 0.141 0.000 2.410 184 C HA -0.186 4.273 4.460 -0.002 0.000 0.281 184 C C 2.732 177.790 174.990 0.113 0.000 1.318 184 C CA 0.690 59.803 59.018 0.158 0.000 1.776 184 C CB -1.101 26.744 27.740 0.174 0.000 1.942 184 C HN 0.693 nan 8.230 nan 0.000 0.508 185 C N 0.563 119.920 119.300 0.095 0.000 2.791 185 C HA 0.433 4.891 4.460 -0.002 0.000 0.270 185 C C 2.045 177.099 174.990 0.106 0.000 1.257 185 C CA 0.697 59.770 59.018 0.092 0.000 1.699 185 C CB -1.303 26.508 27.740 0.118 0.000 1.904 185 C HN 0.934 nan 8.230 nan 0.000 0.603 186 G N 1.464 110.354 108.800 0.149 0.000 2.159 186 G HA2 -0.196 3.762 3.960 -0.002 0.000 0.227 186 G HA3 -0.196 3.762 3.960 -0.002 0.000 0.227 186 G C -0.066 175.135 174.900 0.501 0.000 0.986 186 G CA -0.130 45.061 45.100 0.152 0.000 0.651 186 G HN 0.490 nan 8.290 nan 0.000 0.523 187 N N 0.640 119.549 118.700 0.349 0.000 2.327 187 N HA 0.520 5.259 4.740 -0.002 0.000 0.257 187 N C 0.522 176.156 175.510 0.206 0.000 1.281 187 N CA 1.014 54.141 53.050 0.129 0.000 0.942 187 N CB 0.616 39.100 38.487 -0.005 0.000 1.199 187 N HN 0.572 nan 8.380 nan 0.000 0.532 188 T N -2.798 111.715 114.554 -0.068 0.000 2.887 188 T HA 0.640 4.989 4.350 -0.002 0.000 0.288 188 T C -0.295 174.305 174.700 -0.166 0.000 1.021 188 T CA -0.764 61.265 62.100 -0.119 0.000 1.000 188 T CB 1.222 70.038 68.868 -0.088 0.000 1.034 188 T HN 0.099 nan 8.240 nan 0.000 0.467 189 V N 1.641 121.435 119.914 -0.199 0.000 2.815 189 V HA 0.696 4.814 4.120 -0.002 0.000 0.314 189 V C -0.608 175.392 176.094 -0.156 0.000 1.064 189 V CA -0.855 61.336 62.300 -0.181 0.000 0.952 189 V CB 2.180 33.864 31.823 -0.230 0.000 1.020 189 V HN 0.879 nan 8.190 nan 0.000 0.439 190 V N 4.946 124.789 119.914 -0.119 0.000 2.385 190 V HA 0.478 4.597 4.120 -0.002 0.000 0.277 190 V C -0.506 175.557 176.094 -0.052 0.000 1.012 190 V CA -0.196 62.052 62.300 -0.088 0.000 0.832 190 V CB 1.385 33.149 31.823 -0.097 0.000 1.028 190 V HN 0.728 nan 8.190 nan 0.000 0.436 191 I N 4.488 125.039 120.570 -0.031 0.000 2.412 191 I HA 0.580 4.749 4.170 -0.002 0.000 0.296 191 I C -0.291 175.869 176.117 0.072 0.000 0.987 191 I CA -0.423 60.876 61.300 -0.001 0.000 1.180 191 I CB 1.253 39.211 38.000 -0.070 0.000 1.340 191 I HN 0.337 nan 8.210 nan 0.000 0.455 192 K N 9.318 129.764 120.400 0.077 0.000 2.464 192 K HA 0.499 4.818 4.320 -0.002 0.000 0.252 192 K C -2.649 174.013 176.600 0.104 0.000 1.000 192 K CA -1.970 54.373 56.287 0.094 0.000 0.951 192 K CB 1.509 34.055 32.500 0.076 0.000 1.183 192 K HN 0.353 nan 8.250 nan 0.000 0.445 193 P HA 0.102 nan 4.420 nan 0.000 0.275 193 P C -0.433 176.917 177.300 0.083 0.000 1.266 193 P CA -0.462 62.716 63.100 0.130 0.000 0.793 193 P CB 0.624 32.418 31.700 0.157 0.000 1.074 194 A N 1.153 124.023 122.820 0.084 0.000 2.425 194 A HA 0.082 4.401 4.320 -0.002 0.000 0.242 194 A C 1.622 179.223 177.584 0.027 0.000 1.077 194 A CA -0.297 51.783 52.037 0.071 0.000 0.781 194 A CB -0.187 18.905 19.000 0.154 0.000 1.020 194 A HN 0.656 nan 8.150 nan 0.000 0.494 195 E N 1.603 121.737 120.200 -0.110 0.000 2.150 195 E HA -0.243 4.106 4.350 -0.002 0.000 0.193 195 E C 1.205 177.822 176.600 0.029 0.000 0.985 195 E CA 1.409 57.639 56.400 -0.284 0.000 0.814 195 E CB -0.347 28.790 29.700 -0.938 0.000 0.752 195 E HN 0.855 nan 8.360 nan 0.000 0.466 196 Q N 1.458 121.276 119.800 0.029 0.000 2.451 196 Q HA -0.006 4.333 4.340 -0.002 0.000 0.206 196 Q C 0.406 176.443 176.000 0.060 0.000 0.947 196 Q CA 1.136 56.958 55.803 0.032 0.000 0.937 196 Q CB -0.017 28.664 28.738 -0.095 0.000 1.025 196 Q HN 0.283 nan 8.270 nan 0.000 0.511 197 T N -1.932 112.686 114.554 0.106 0.000 3.686 197 T HA 0.308 4.656 4.350 -0.002 0.000 0.248 197 T C -2.588 172.165 174.700 0.087 0.000 1.090 197 T CA -0.914 61.240 62.100 0.090 0.000 1.659 197 T CB 1.579 70.514 68.868 0.111 0.000 0.780 197 T HN -0.034 nan 8.240 nan 0.000 0.632 198 P HA 0.334 nan 4.420 nan 0.000 0.272 198 P C 1.511 178.838 177.300 0.045 0.000 1.276 198 P CA -0.310 62.844 63.100 0.090 0.000 0.871 198 P CB 0.502 32.300 31.700 0.164 0.000 1.313 199 L N 0.976 122.214 121.223 0.026 0.000 1.955 199 L HA -0.194 4.145 4.340 -0.002 0.000 0.213 199 L C 2.815 179.693 176.870 0.013 0.000 1.072 199 L CA 2.546 57.400 54.840 0.024 0.000 0.755 199 L CB -1.738 40.328 42.059 0.012 0.000 0.888 199 L HN 0.075 nan 8.230 nan 0.000 0.432 200 S N 0.450 116.131 115.700 -0.031 0.000 2.380 200 S HA -0.282 4.187 4.470 -0.002 0.000 0.229 200 S C 2.164 176.648 174.600 -0.194 0.000 1.043 200 S CA 1.157 59.304 58.200 -0.089 0.000 1.038 200 S CB -0.814 62.320 63.200 -0.111 0.000 0.872 200 S HN 0.416 nan 8.310 nan 0.000 0.456 201 A N 2.570 125.238 122.820 -0.254 0.000 1.859 201 A HA -0.010 4.309 4.320 -0.002 0.000 0.217 201 A C 2.406 179.801 177.584 -0.315 0.000 1.198 201 A CA 1.817 53.559 52.037 -0.492 0.000 0.629 201 A CB -1.102 17.791 19.000 -0.178 0.000 0.830 201 A HN 0.545 nan 8.150 nan 0.000 0.446 202 L N -2.393 118.802 121.223 -0.047 0.000 2.079 202 L HA -0.219 4.120 4.340 -0.002 0.000 0.210 202 L C 2.618 179.497 176.870 0.015 0.000 1.081 202 L CA 1.871 56.764 54.840 0.087 0.000 0.752 202 L CB -0.697 41.494 42.059 0.219 0.000 0.896 202 L HN 0.591 nan 8.230 nan 0.000 0.433 203 Y N 0.194 120.430 120.300 -0.107 0.000 2.207 203 Y HA -0.287 4.262 4.550 -0.002 0.000 0.287 203 Y C 2.690 178.436 175.900 -0.257 0.000 1.156 203 Y CA 1.517 59.530 58.100 -0.145 0.000 1.182 203 Y CB -0.001 38.435 38.460 -0.041 0.000 0.979 203 Y HN 0.064 nan 8.280 nan 0.000 0.521 204 M N -0.553 118.965 119.600 -0.137 0.000 2.279 204 M HA -0.141 4.338 4.480 -0.002 0.000 0.264 204 M C 2.374 178.498 176.300 -0.292 0.000 1.062 204 M CA 1.394 56.574 55.300 -0.199 0.000 1.099 204 M CB -1.778 30.585 32.600 -0.395 0.000 1.394 204 M HN 0.456 nan 8.290 nan 0.000 0.426 205 G N -0.026 108.499 108.800 -0.458 0.000 2.418 205 G HA2 -0.084 3.874 3.960 -0.002 0.000 0.217 205 G HA3 -0.084 3.874 3.960 -0.002 0.000 0.217 205 G C 1.680 175.966 174.900 -1.024 0.000 1.158 205 G CA 1.164 45.660 45.100 -1.006 0.000 0.771 205 G HN 0.530 nan 8.290 nan 0.000 0.545 206 A N 0.790 123.175 122.820 -0.726 0.000 1.865 206 A HA 0.026 4.345 4.320 -0.002 0.000 0.217 206 A C 2.448 179.811 177.584 -0.368 0.000 1.191 206 A CA 1.439 53.112 52.037 -0.606 0.000 0.623 206 A CB -0.525 17.736 19.000 -1.231 0.000 0.826 206 A HN 0.348 nan 8.150 nan 0.000 0.444 207 L N -0.603 120.420 121.223 -0.334 0.000 2.083 207 L HA -0.192 4.147 4.340 -0.002 0.000 0.209 207 L C 2.516 179.376 176.870 -0.016 0.000 1.083 207 L CA 1.164 55.934 54.840 -0.116 0.000 0.752 207 L CB -0.595 41.447 42.059 -0.028 0.000 0.899 207 L HN 0.401 nan 8.230 nan 0.000 0.433 208 I N 0.104 120.635 120.570 -0.064 0.000 2.163 208 I HA -0.346 3.822 4.170 -0.002 0.000 0.243 208 I C 2.752 178.973 176.117 0.173 0.000 1.085 208 I CA 1.521 62.852 61.300 0.050 0.000 1.347 208 I CB -0.315 37.619 38.000 -0.110 0.000 1.044 208 I HN 0.270 nan 8.210 nan 0.000 0.408 209 K N 1.189 121.645 120.400 0.092 0.000 2.063 209 K HA -0.279 4.040 4.320 -0.002 0.000 0.208 209 K C 2.105 178.771 176.600 0.111 0.000 1.048 209 K CA 1.996 58.369 56.287 0.144 0.000 0.928 209 K CB -0.139 32.450 32.500 0.147 0.000 0.713 209 K HN 0.301 nan 8.250 nan 0.000 0.442 210 E N -0.134 120.108 120.200 0.069 0.000 2.153 210 E HA -0.184 4.165 4.350 -0.002 0.000 0.194 210 E C 1.671 178.318 176.600 0.078 0.000 0.988 210 E CA 1.028 57.465 56.400 0.063 0.000 0.811 210 E CB -0.139 29.582 29.700 0.035 0.000 0.746 210 E HN 0.440 nan 8.360 nan 0.000 0.466 211 A N 0.021 122.913 122.820 0.119 0.000 2.015 211 A HA 0.072 4.390 4.320 -0.002 0.000 0.219 211 A C 1.981 179.586 177.584 0.036 0.000 1.163 211 A CA 1.552 53.655 52.037 0.110 0.000 0.646 211 A CB -0.419 18.711 19.000 0.217 0.000 0.806 211 A HN 0.577 nan 8.150 nan 0.000 0.448 212 G N -3.254 105.585 108.800 0.065 0.000 2.227 212 G HA2 -0.106 3.853 3.960 -0.002 0.000 0.168 212 G HA3 -0.106 3.853 3.960 -0.002 0.000 0.168 212 G C -0.009 174.888 174.900 -0.005 0.000 1.006 212 G CA -0.277 44.824 45.100 0.001 0.000 0.684 212 G HN 0.233 nan 8.290 nan 0.000 0.489 213 F N 2.226 122.191 119.950 0.026 0.000 2.578 213 F HA 0.388 4.914 4.527 -0.002 0.000 0.376 213 F C -1.319 174.444 175.800 -0.061 0.000 1.085 213 F CA -1.112 56.869 58.000 -0.032 0.000 1.260 213 F CB 0.467 39.397 39.000 -0.117 0.000 1.095 213 F HN -0.113 nan 8.300 nan 0.000 0.573 214 P HA 0.010 nan 4.420 nan 0.000 0.265 214 P C -2.390 174.886 177.300 -0.040 0.000 1.193 214 P CA -0.787 62.346 63.100 0.055 0.000 0.765 214 P CB -0.042 31.732 31.700 0.123 0.000 0.823 215 P HA -0.032 nan 4.420 nan 0.000 0.265 215 P C 0.857 178.061 177.300 -0.161 0.000 1.193 215 P CA 0.984 64.004 63.100 -0.133 0.000 0.765 215 P CB 0.365 31.995 31.700 -0.116 0.000 0.823 216 G N 1.629 110.284 108.800 -0.242 0.000 2.234 216 G HA2 -0.297 3.661 3.960 -0.002 0.000 0.235 216 G HA3 -0.297 3.661 3.960 -0.002 0.000 0.235 216 G C 0.886 175.637 174.900 -0.247 0.000 0.997 216 G CA 0.146 45.115 45.100 -0.219 0.000 0.623 216 G HN 0.371 nan 8.290 nan 0.000 0.514 217 V N 0.163 119.880 119.914 -0.328 0.000 2.343 217 V HA 0.070 4.188 4.120 -0.002 0.000 0.247 217 V C 1.477 177.322 176.094 -0.416 0.000 1.051 217 V CA 2.043 64.035 62.300 -0.513 0.000 1.036 217 V CB -0.046 31.269 31.823 -0.846 0.000 0.654 217 V HN 0.413 nan 8.190 nan 0.000 0.451 218 V N 1.435 121.141 119.914 -0.346 0.000 2.531 218 V HA 0.482 4.600 4.120 -0.002 0.000 0.301 218 V C -0.789 175.205 176.094 -0.168 0.000 1.034 218 V CA -0.767 61.386 62.300 -0.245 0.000 0.865 218 V CB 1.780 33.463 31.823 -0.233 0.000 0.995 218 V HN 0.436 nan 8.190 nan 0.000 0.424 219 N N 5.232 123.858 118.700 -0.124 0.000 2.346 219 N HA 0.627 5.365 4.740 -0.002 0.000 0.289 219 N C -1.271 174.262 175.510 0.039 0.000 1.027 219 N CA -0.392 52.591 53.050 -0.112 0.000 0.864 219 N CB 2.991 41.381 38.487 -0.161 0.000 1.370 219 N HN 0.505 nan 8.380 nan 0.000 0.481 220 I N 2.364 123.031 120.570 0.161 0.000 2.389 220 I HA 0.375 4.544 4.170 -0.002 0.000 0.288 220 I C -0.941 175.282 176.117 0.176 0.000 0.999 220 I CA -0.781 60.642 61.300 0.205 0.000 1.129 220 I CB 1.407 39.575 38.000 0.281 0.000 1.288 220 I HN 0.182 nan 8.210 nan 0.000 0.444 221 L N 8.520 129.830 121.223 0.145 0.000 2.388 221 L HA 0.447 4.786 4.340 -0.002 0.000 0.267 221 L C -2.352 174.610 176.870 0.153 0.000 0.995 221 L CA -1.421 53.504 54.840 0.142 0.000 0.864 221 L CB 1.252 43.368 42.059 0.095 0.000 1.216 221 L HN 0.336 nan 8.230 nan 0.000 0.430 222 P HA 0.470 nan 4.420 nan 0.000 0.271 222 P C 0.007 177.419 177.300 0.186 0.000 1.216 222 P CA 0.175 63.423 63.100 0.246 0.000 0.776 222 P CB 1.879 33.797 31.700 0.363 0.000 0.881 223 G N 1.306 110.072 108.800 -0.057 0.000 2.315 223 G HA2 0.280 4.239 3.960 -0.002 0.000 0.294 223 G HA3 0.280 4.239 3.960 -0.002 0.000 0.294 223 G C -2.001 172.646 174.900 -0.422 0.000 1.300 223 G CA -0.728 44.225 45.100 -0.244 0.000 0.843 223 G HN 0.281 nan 8.290 nan 0.000 0.527 224 Y N 0.181 120.325 120.300 -0.259 0.000 2.316 224 Y HA 0.456 5.005 4.550 -0.002 0.000 0.324 224 Y C 1.840 177.696 175.900 -0.073 0.000 1.267 224 Y CA 1.102 59.091 58.100 -0.186 0.000 1.311 224 Y CB 1.623 39.975 38.460 -0.179 0.000 1.267 224 Y HN 0.695 nan 8.280 nan 0.000 0.516 225 G N 1.151 110.034 108.800 0.138 0.000 2.453 225 G HA2 -0.180 3.779 3.960 -0.002 0.000 0.215 225 G HA3 -0.180 3.779 3.960 -0.002 0.000 0.215 225 G C -0.835 174.111 174.900 0.077 0.000 1.201 225 G CA 0.646 45.807 45.100 0.101 0.000 0.784 225 G HN 0.540 nan 8.290 nan 0.000 0.545 226 P HA -0.046 nan 4.420 nan 0.000 0.219 226 P C 1.926 179.242 177.300 0.026 0.000 1.146 226 P CA 2.141 65.259 63.100 0.029 0.000 0.808 226 P CB -0.017 31.689 31.700 0.009 0.000 0.779 227 T N -3.874 110.709 114.554 0.048 0.000 3.395 227 T HA 0.285 4.634 4.350 -0.002 0.000 0.230 227 T C 1.957 176.688 174.700 0.051 0.000 0.958 227 T CA 0.574 62.700 62.100 0.042 0.000 1.377 227 T CB -1.176 67.721 68.868 0.048 0.000 1.124 227 T HN -0.101 nan 8.240 nan 0.000 0.425 228 A N 1.851 124.708 122.820 0.063 0.000 1.858 228 A HA 0.215 4.534 4.320 -0.002 0.000 0.216 228 A C 2.674 180.294 177.584 0.060 0.000 1.190 228 A CA 2.060 54.134 52.037 0.061 0.000 0.617 228 A CB -1.779 17.255 19.000 0.057 0.000 0.827 228 A HN 0.706 nan 8.150 nan 0.000 0.443 229 G N -0.726 108.110 108.800 0.061 0.000 2.422 229 G HA2 0.008 3.966 3.960 -0.002 0.000 0.218 229 G HA3 0.008 3.966 3.960 -0.002 0.000 0.218 229 G C 1.684 176.612 174.900 0.047 0.000 1.146 229 G CA 1.466 46.606 45.100 0.067 0.000 0.769 229 G HN 0.837 nan 8.290 nan 0.000 0.547 230 A N 0.928 123.767 122.820 0.033 0.000 1.968 230 A HA 0.407 4.726 4.320 -0.002 0.000 0.217 230 A C 2.723 180.321 177.584 0.024 0.000 1.169 230 A CA 1.880 53.925 52.037 0.012 0.000 0.638 230 A CB -0.529 18.473 19.000 0.003 0.000 0.812 230 A HN 0.708 nan 8.150 nan 0.000 0.446 231 A N -0.254 122.591 122.820 0.043 0.000 2.014 231 A HA 0.058 4.377 4.320 -0.002 0.000 0.218 231 A C 2.010 179.662 177.584 0.113 0.000 1.163 231 A CA 1.200 53.275 52.037 0.064 0.000 0.652 231 A CB -0.488 18.557 19.000 0.076 0.000 0.808 231 A HN 0.497 nan 8.150 nan 0.000 0.449 232 I N -0.487 120.138 120.570 0.091 0.000 2.286 232 I HA -0.183 3.986 4.170 -0.002 0.000 0.245 232 I C 2.860 179.026 176.117 0.082 0.000 1.104 232 I CA 0.973 62.326 61.300 0.089 0.000 1.397 232 I CB -0.279 37.756 38.000 0.058 0.000 1.072 232 I HN 0.314 nan 8.210 nan 0.000 0.417 233 A N -0.169 122.681 122.820 0.049 0.000 2.067 233 A HA -0.116 4.202 4.320 -0.002 0.000 0.219 233 A C 2.283 179.880 177.584 0.021 0.000 1.158 233 A CA 1.823 53.873 52.037 0.022 0.000 0.661 233 A CB -0.355 18.634 19.000 -0.018 0.000 0.801 233 A HN 0.403 nan 8.150 nan 0.000 0.452 234 S N -1.294 114.425 115.700 0.031 0.000 2.523 234 S HA 0.097 4.565 4.470 -0.002 0.000 0.217 234 S C 0.556 175.167 174.600 0.018 0.000 0.996 234 S CA -0.575 57.631 58.200 0.009 0.000 0.921 234 S CB -0.183 63.008 63.200 -0.015 0.000 0.829 234 S HN 0.672 nan 8.310 nan 0.000 0.495 235 H N 1.763 120.828 119.070 -0.008 0.000 3.070 235 H HA 0.087 4.642 4.556 -0.002 0.000 0.313 235 H C 0.956 176.279 175.328 -0.007 0.000 0.997 235 H CA 0.203 56.247 56.048 -0.006 0.000 1.438 235 H CB 0.261 30.020 29.762 -0.005 0.000 1.455 235 H HN 0.109 nan 8.280 nan 0.000 0.575 236 I N 4.058 124.621 120.570 -0.012 0.000 3.083 236 I HA -0.074 4.095 4.170 -0.002 0.000 0.273 236 I C 1.952 178.165 176.117 0.160 0.000 1.297 236 I CA 1.332 62.663 61.300 0.051 0.000 1.452 236 I CB 0.118 38.097 38.000 -0.035 0.000 1.078 236 I HN 0.734 nan 8.210 nan 0.000 0.484 237 G N -0.334 108.700 108.800 0.390 0.000 3.651 237 G HA2 0.314 4.272 3.960 -0.002 0.000 0.279 237 G HA3 0.314 4.272 3.960 -0.002 0.000 0.279 237 G C 0.401 175.330 174.900 0.048 0.000 1.024 237 G CA -0.191 45.025 45.100 0.194 0.000 0.813 237 G HN 0.169 nan 8.290 nan 0.000 0.518 238 I N 1.072 121.671 120.570 0.048 0.000 2.336 238 I HA 0.216 4.385 4.170 -0.002 0.000 0.292 238 I C 0.076 176.188 176.117 -0.008 0.000 0.991 238 I CA -0.634 60.646 61.300 -0.032 0.000 1.227 238 I CB 1.904 39.884 38.000 -0.033 0.000 1.366 238 I HN -0.006 nan 8.210 nan 0.000 0.466 239 D N 4.906 125.284 120.400 -0.037 0.000 2.323 239 D HA 0.007 4.645 4.640 -0.002 0.000 0.209 239 D C 0.634 176.916 176.300 -0.030 0.000 0.973 239 D CA 1.048 55.029 54.000 -0.031 0.000 0.874 239 D CB 0.609 41.377 40.800 -0.055 0.000 0.930 239 D HN 0.347 nan 8.370 nan 0.000 0.521 240 K N 0.579 120.962 120.400 -0.029 0.000 2.598 240 K HA 0.307 4.625 4.320 -0.002 0.000 0.271 240 K C -2.171 174.429 176.600 -0.001 0.000 0.947 240 K CA -0.566 55.707 56.287 -0.023 0.000 0.854 240 K CB 2.142 34.618 32.500 -0.041 0.000 1.401 240 K HN 0.010 nan 8.250 nan 0.000 0.415 241 I N 1.641 122.215 120.570 0.007 0.000 2.545 241 I HA 0.636 4.805 4.170 -0.002 0.000 0.292 241 I C -1.340 174.810 176.117 0.055 0.000 1.040 241 I CA -0.586 60.738 61.300 0.040 0.000 1.068 241 I CB 1.985 40.013 38.000 0.046 0.000 1.251 241 I HN 0.737 nan 8.210 nan 0.000 0.424 242 A N 7.281 130.158 122.820 0.095 0.000 2.285 242 A HA 0.617 4.936 4.320 -0.002 0.000 0.310 242 A C -1.451 176.224 177.584 0.152 0.000 1.266 242 A CA -0.372 51.728 52.037 0.106 0.000 0.832 242 A CB 0.509 19.595 19.000 0.143 0.000 1.163 242 A HN 0.646 nan 8.150 nan 0.000 0.499 243 F N 2.797 122.755 119.950 0.015 0.000 2.508 243 F HA 0.769 5.295 4.527 -0.002 0.000 0.325 243 F C 0.120 175.932 175.800 0.019 0.000 1.090 243 F CA 0.016 58.026 58.000 0.016 0.000 0.945 243 F CB 2.329 41.333 39.000 0.006 0.000 1.156 243 F HN 0.544 nan 8.300 nan 0.000 0.463 244 T N 2.845 116.708 114.554 -1.152 0.000 2.991 244 T HA 0.811 5.159 4.350 -0.002 0.000 0.303 244 T C -0.617 173.358 174.700 -1.208 0.000 1.015 244 T CA 0.182 61.795 62.100 -0.812 0.000 1.007 244 T CB 1.027 69.710 68.868 -0.309 0.000 1.034 244 T HN 1.487 nan 8.240 nan 0.000 0.446 245 G N 2.273 110.650 108.800 -0.706 0.000 2.455 245 G HA2 0.447 4.406 3.960 -0.002 0.000 0.223 245 G HA3 0.447 4.406 3.960 -0.002 0.000 0.223 245 G C -0.353 174.607 174.900 0.100 0.000 1.226 245 G CA -0.093 44.831 45.100 -0.293 0.000 0.948 245 G HN 1.664 nan 8.290 nan 0.000 0.478 246 S N -0.596 115.245 115.700 0.235 0.000 2.585 246 S HA 0.413 4.882 4.470 -0.002 0.000 0.273 246 S C 1.726 176.454 174.600 0.213 0.000 1.339 246 S CA 1.224 59.535 58.200 0.185 0.000 1.028 246 S CB 1.337 64.618 63.200 0.137 0.000 0.906 246 S HN 1.962 nan 8.310 nan 0.000 0.528 247 T N -0.480 114.151 114.554 0.129 0.000 2.904 247 T HA -0.111 4.238 4.350 -0.002 0.000 0.267 247 T C 1.433 176.148 174.700 0.025 0.000 1.059 247 T CA 1.016 63.165 62.100 0.083 0.000 1.137 247 T CB -0.587 68.314 68.868 0.055 0.000 0.879 247 T HN 0.736 nan 8.240 nan 0.000 0.467 248 E N 1.599 121.816 120.200 0.028 0.000 2.038 248 E HA -0.081 4.267 4.350 -0.002 0.000 0.195 248 E C 2.414 178.985 176.600 -0.047 0.000 1.000 248 E CA 1.078 57.474 56.400 -0.006 0.000 0.803 248 E CB -1.201 28.507 29.700 0.014 0.000 0.750 248 E HN 0.509 nan 8.360 nan 0.000 0.448 249 V N 1.676 121.562 119.914 -0.046 0.000 2.548 249 V HA -0.097 4.021 4.120 -0.002 0.000 0.249 249 V C 2.486 178.345 176.094 -0.392 0.000 1.055 249 V CA 1.685 63.883 62.300 -0.170 0.000 1.065 249 V CB -1.103 30.656 31.823 -0.107 0.000 0.681 249 V HN 0.404 nan 8.190 nan 0.000 0.462 250 G N -0.014 108.609 108.800 -0.294 0.000 2.446 250 G HA2 -0.281 3.678 3.960 -0.002 0.000 0.217 250 G HA3 -0.281 3.678 3.960 -0.002 0.000 0.217 250 G C 1.659 176.424 174.900 -0.224 0.000 1.168 250 G CA 0.977 45.889 45.100 -0.313 0.000 0.771 250 G HN 0.453 nan 8.290 nan 0.000 0.551 251 K N -0.169 120.145 120.400 -0.144 0.000 2.044 251 K HA -0.013 4.305 4.320 -0.002 0.000 0.210 251 K C 2.530 179.052 176.600 -0.131 0.000 1.049 251 K CA 1.070 57.285 56.287 -0.119 0.000 0.927 251 K CB -0.330 32.114 32.500 -0.094 0.000 0.713 251 K HN 0.286 nan 8.250 nan 0.000 0.443 252 L N 0.854 121.986 121.223 -0.152 0.000 2.083 252 L HA -0.200 4.139 4.340 -0.002 0.000 0.209 252 L C 2.310 179.084 176.870 -0.159 0.000 1.083 252 L CA 0.631 55.388 54.840 -0.139 0.000 0.752 252 L CB -0.464 41.514 42.059 -0.135 0.000 0.899 252 L HN 0.202 nan 8.230 nan 0.000 0.433 253 I N -0.237 120.189 120.570 -0.240 0.000 2.179 253 I HA -0.305 3.863 4.170 -0.002 0.000 0.242 253 I C 2.575 178.617 176.117 -0.125 0.000 1.088 253 I CA 1.587 62.756 61.300 -0.218 0.000 1.357 253 I CB -1.003 36.785 38.000 -0.353 0.000 1.051 253 I HN 0.448 nan 8.210 nan 0.000 0.409 254 Q N 0.382 120.114 119.800 -0.113 0.000 2.124 254 Q HA -0.238 4.101 4.340 -0.002 0.000 0.202 254 Q C 2.196 178.159 176.000 -0.062 0.000 0.977 254 Q CA 1.546 57.306 55.803 -0.072 0.000 0.850 254 Q CB 0.078 28.777 28.738 -0.064 0.000 0.901 254 Q HN 0.491 nan 8.270 nan 0.000 0.429 255 E N -0.305 119.852 120.200 -0.071 0.000 2.031 255 E HA -0.200 4.149 4.350 -0.002 0.000 0.193 255 E C 1.819 178.388 176.600 -0.050 0.000 0.994 255 E CA 0.996 57.361 56.400 -0.058 0.000 0.800 255 E CB -0.090 29.573 29.700 -0.061 0.000 0.752 255 E HN 0.375 nan 8.360 nan 0.000 0.447 256 A N 1.270 124.056 122.820 -0.057 0.000 1.940 256 A HA -0.136 4.182 4.320 -0.002 0.000 0.219 256 A C 2.368 179.931 177.584 -0.035 0.000 1.176 256 A CA 1.884 53.894 52.037 -0.045 0.000 0.631 256 A CB -0.754 18.216 19.000 -0.049 0.000 0.814 256 A HN 0.430 nan 8.150 nan 0.000 0.446 257 A N -0.386 122.411 122.820 -0.038 0.000 1.851 257 A HA 0.075 4.393 4.320 -0.002 0.000 0.216 257 A C 2.471 180.040 177.584 -0.024 0.000 1.195 257 A CA 2.054 54.076 52.037 -0.026 0.000 0.622 257 A CB -1.530 17.452 19.000 -0.029 0.000 0.831 257 A HN 0.813 nan 8.150 nan 0.000 0.444 258 G N -1.305 107.477 108.800 -0.029 0.000 2.432 258 G HA2 -0.191 3.768 3.960 -0.002 0.000 0.219 258 G HA3 -0.191 3.768 3.960 -0.002 0.000 0.219 258 G C 1.633 176.518 174.900 -0.024 0.000 1.135 258 G CA 0.684 45.768 45.100 -0.026 0.000 0.767 258 G HN 0.478 nan 8.290 nan 0.000 0.550 259 R N 0.267 120.751 120.500 -0.026 0.000 2.310 259 R HA 0.097 4.436 4.340 -0.002 0.000 0.202 259 R C 2.079 178.365 176.300 -0.023 0.000 0.933 259 R CA 0.928 57.013 56.100 -0.025 0.000 1.054 259 R CB 0.228 30.511 30.300 -0.028 0.000 0.985 259 R HN 0.571 nan 8.270 nan 0.000 0.489 260 S N 0.731 116.418 115.700 -0.020 0.000 3.049 260 S HA -0.007 4.462 4.470 -0.002 0.000 0.182 260 S C 1.073 175.666 174.600 -0.012 0.000 0.725 260 S CA 0.049 58.238 58.200 -0.018 0.000 0.811 260 S CB -0.132 63.058 63.200 -0.015 0.000 0.801 260 S HN 0.280 nan 8.310 nan 0.000 0.627 261 N N 1.140 119.837 118.700 -0.004 0.000 2.194 261 N HA 0.289 5.027 4.740 -0.002 0.000 0.231 261 N C 0.190 175.698 175.510 -0.002 0.000 1.247 261 N CA -0.047 53.004 53.050 0.001 0.000 0.884 261 N CB -0.193 38.303 38.487 0.014 0.000 1.146 261 N HN 0.550 nan 8.380 nan 0.000 0.516 262 L N 0.132 121.350 121.223 -0.008 0.000 3.865 262 L HA -0.284 4.055 4.340 -0.002 0.000 0.408 262 L C -0.036 176.827 176.870 -0.011 0.000 1.209 262 L CA 0.665 55.498 54.840 -0.012 0.000 0.940 262 L CB -1.694 40.357 42.059 -0.012 0.000 1.971 262 L HN 0.464 nan 8.230 nan 0.000 0.899 263 K N 0.266 120.661 120.400 -0.008 0.000 2.336 263 K HA 0.369 4.688 4.320 -0.002 0.000 0.262 263 K C 0.434 177.023 176.600 -0.019 0.000 0.992 263 K CA -0.528 55.754 56.287 -0.009 0.000 0.927 263 K CB 0.500 32.999 32.500 -0.001 0.000 0.956 263 K HN 0.071 nan 8.250 nan 0.000 0.495 264 R N 0.596 121.080 120.500 -0.027 0.000 2.679 264 R HA 0.161 4.499 4.340 -0.002 0.000 0.268 264 R C -0.711 175.568 176.300 -0.035 0.000 1.044 264 R CA -0.122 55.955 56.100 -0.039 0.000 1.105 264 R CB 0.786 31.051 30.300 -0.059 0.000 0.989 264 R HN 0.415 nan 8.270 nan 0.000 0.447 265 V N 1.838 121.732 119.914 -0.034 0.000 2.638 265 V HA 0.366 4.484 4.120 -0.002 0.000 0.306 265 V C -0.409 175.674 176.094 -0.018 0.000 1.052 265 V CA -0.643 61.646 62.300 -0.019 0.000 0.885 265 V CB 2.392 34.208 31.823 -0.013 0.000 0.999 265 V HN 0.752 nan 8.190 nan 0.000 0.424 266 T N 5.861 120.416 114.554 0.001 0.000 2.848 266 T HA 0.689 5.037 4.350 -0.002 0.000 0.285 266 T C -0.855 173.893 174.700 0.079 0.000 0.995 266 T CA -0.307 61.795 62.100 0.004 0.000 0.970 266 T CB 0.960 69.794 68.868 -0.056 0.000 0.976 266 T HN 0.399 nan 8.240 nan 0.000 0.441 267 L N 3.164 124.441 121.223 0.089 0.000 2.349 267 L HA 0.521 4.860 4.340 -0.002 0.000 0.278 267 L C 0.268 177.205 176.870 0.111 0.000 0.996 267 L CA -0.628 54.315 54.840 0.172 0.000 0.825 267 L CB 1.870 44.026 42.059 0.161 0.000 1.243 267 L HN 0.557 nan 8.230 nan 0.000 0.412 268 E N 4.657 124.903 120.200 0.077 0.000 2.167 268 E HA 0.400 4.748 4.350 -0.002 0.000 0.247 268 E C -0.873 175.737 176.600 0.015 0.000 0.961 268 E CA -0.366 56.041 56.400 0.011 0.000 0.797 268 E CB 0.711 30.384 29.700 -0.044 0.000 1.182 268 E HN 0.497 nan 8.360 nan 0.000 0.437 269 L N 1.574 122.839 121.223 0.070 0.000 2.431 269 L HA 0.461 4.800 4.340 -0.002 0.000 0.260 269 L C 1.490 178.400 176.870 0.068 0.000 1.098 269 L CA -0.751 54.144 54.840 0.091 0.000 0.800 269 L CB 0.694 42.825 42.059 0.121 0.000 1.210 269 L HN 0.494 nan 8.230 nan 0.000 0.465 270 G N -0.237 108.609 108.800 0.076 0.000 2.466 270 G HA2 0.442 4.401 3.960 -0.002 0.000 0.204 270 G HA3 0.442 4.401 3.960 -0.002 0.000 0.204 270 G C 0.094 175.050 174.900 0.093 0.000 1.600 270 G CA 0.374 45.522 45.100 0.080 0.000 1.038 270 G HN 1.061 nan 8.290 nan 0.000 0.515 271 G N -2.269 106.593 108.800 0.105 0.000 2.326 271 G HA2 0.393 4.351 3.960 -0.002 0.000 0.413 271 G HA3 0.393 4.351 3.960 -0.002 0.000 0.413 271 G C -0.795 174.170 174.900 0.107 0.000 1.444 271 G CA -0.182 44.980 45.100 0.104 0.000 1.002 271 G HN 0.887 nan 8.290 nan 0.000 0.649 272 K N -0.947 119.513 120.400 0.100 0.000 2.174 272 K HA 0.717 5.036 4.320 -0.002 0.000 0.275 272 K C -0.130 176.549 176.600 0.132 0.000 1.015 272 K CA -0.508 55.841 56.287 0.104 0.000 0.933 272 K CB 1.968 34.522 32.500 0.089 0.000 1.025 272 K HN 0.579 nan 8.250 nan 0.000 0.463 273 S N 3.409 119.207 115.700 0.162 0.000 2.150 273 S HA 0.281 4.750 4.470 -0.002 0.000 0.171 273 S C -2.399 172.333 174.600 0.220 0.000 1.620 273 S CA -1.547 56.794 58.200 0.235 0.000 1.190 273 S CB 0.258 63.642 63.200 0.308 0.000 1.102 273 S HN 0.564 nan 8.310 nan 0.000 0.464 274 P HA 0.340 nan 4.420 nan 0.000 0.278 274 P C -1.071 176.293 177.300 0.107 0.000 1.238 274 P CA -0.532 62.673 63.100 0.176 0.000 0.794 274 P CB 0.762 32.587 31.700 0.209 0.000 0.955 275 N N 1.521 120.268 118.700 0.078 0.000 2.335 275 N HA 0.618 5.356 4.740 -0.002 0.000 0.304 275 N C -0.558 175.003 175.510 0.085 0.000 1.135 275 N CA -0.699 52.358 53.050 0.011 0.000 0.817 275 N CB 1.580 40.005 38.487 -0.103 0.000 1.294 275 N HN 0.325 nan 8.380 nan 0.000 0.497 276 I N 1.393 122.001 120.570 0.064 0.000 2.466 276 I HA 0.429 4.598 4.170 -0.002 0.000 0.289 276 I C -0.962 175.170 176.117 0.026 0.000 1.026 276 I CA -0.590 60.663 61.300 -0.078 0.000 1.078 276 I CB 1.582 39.421 38.000 -0.268 0.000 1.249 276 I HN 0.320 nan 8.210 nan 0.000 0.429 277 I N 6.009 126.557 120.570 -0.038 0.000 2.411 277 I HA 0.367 4.535 4.170 -0.002 0.000 0.284 277 I C -0.797 175.361 176.117 0.068 0.000 1.012 277 I CA -0.397 60.942 61.300 0.065 0.000 1.119 277 I CB 1.101 39.055 38.000 -0.078 0.000 1.261 277 I HN 0.287 nan 8.210 nan 0.000 0.448 278 F N 3.131 123.268 119.950 0.311 0.000 2.377 278 F HA 0.435 4.960 4.527 -0.002 0.000 0.328 278 F C 1.538 177.437 175.800 0.166 0.000 1.094 278 F CA -0.239 57.915 58.000 0.256 0.000 1.093 278 F CB 1.561 40.702 39.000 0.235 0.000 1.214 278 F HN 0.536 nan 8.300 nan 0.000 0.518 279 A N 1.000 124.011 122.820 0.318 0.000 1.986 279 A HA -0.253 4.066 4.320 -0.002 0.000 0.220 279 A C 1.690 179.388 177.584 0.190 0.000 1.171 279 A CA 2.079 54.233 52.037 0.195 0.000 0.640 279 A CB -1.073 18.004 19.000 0.129 0.000 0.811 279 A HN 0.838 nan 8.150 nan 0.000 0.451 280 D N 0.139 120.665 120.400 0.210 0.000 2.378 280 D HA 0.270 4.908 4.640 -0.002 0.000 0.222 280 D C 0.778 177.188 176.300 0.183 0.000 0.980 280 D CA 0.682 54.777 54.000 0.159 0.000 0.907 280 D CB -0.470 40.399 40.800 0.115 0.000 0.899 280 D HN 0.472 nan 8.370 nan 0.000 0.527 281 A N 0.926 123.894 122.820 0.248 0.000 2.302 281 A HA 0.378 4.696 4.320 -0.002 0.000 0.285 281 A C -0.382 177.339 177.584 0.227 0.000 1.105 281 A CA -0.717 51.484 52.037 0.275 0.000 0.816 281 A CB 0.325 19.556 19.000 0.385 0.000 1.067 281 A HN 0.197 nan 8.150 nan 0.000 0.489 282 D N 1.992 122.529 120.400 0.230 0.000 2.346 282 D HA 0.122 4.760 4.640 -0.002 0.000 0.267 282 D C 0.740 177.151 176.300 0.185 0.000 1.320 282 D CA -0.474 53.638 54.000 0.186 0.000 0.951 282 D CB 0.205 41.113 40.800 0.179 0.000 1.079 282 D HN 0.318 nan 8.370 nan 0.000 0.509 283 L N 2.199 123.505 121.223 0.138 0.000 2.064 283 L HA -0.291 4.048 4.340 -0.002 0.000 0.216 283 L C 1.301 178.180 176.870 0.016 0.000 1.077 283 L CA 2.055 56.957 54.840 0.104 0.000 0.766 283 L CB -0.392 41.716 42.059 0.081 0.000 0.890 283 L HN 0.374 nan 8.230 nan 0.000 0.435 284 D N -1.551 118.867 120.400 0.030 0.000 2.088 284 D HA -0.282 4.357 4.640 -0.002 0.000 0.191 284 D C 2.016 178.326 176.300 0.018 0.000 0.992 284 D CA 2.017 56.015 54.000 -0.003 0.000 0.831 284 D CB -0.594 40.226 40.800 0.033 0.000 0.973 284 D HN 0.494 nan 8.370 nan 0.000 0.447 285 Y N 1.976 122.271 120.300 -0.008 0.000 2.081 285 Y HA -0.271 4.278 4.550 -0.002 0.000 0.280 285 Y C 2.344 178.221 175.900 -0.038 0.000 1.163 285 Y CA 1.961 60.071 58.100 0.017 0.000 1.135 285 Y CB -0.652 37.857 38.460 0.083 0.000 0.970 285 Y HN -0.030 nan 8.280 nan 0.000 0.498 286 A N -0.450 122.294 122.820 -0.126 0.000 1.917 286 A HA -0.225 4.094 4.320 -0.002 0.000 0.219 286 A C 2.376 179.735 177.584 -0.375 0.000 1.182 286 A CA 2.467 54.242 52.037 -0.437 0.000 0.633 286 A CB -1.447 17.463 19.000 -0.149 0.000 0.819 286 A HN 0.381 nan 8.150 nan 0.000 0.448 287 V N -0.111 119.619 119.914 -0.306 0.000 2.407 287 V HA -0.220 3.899 4.120 -0.002 0.000 0.248 287 V C 2.605 178.557 176.094 -0.237 0.000 1.055 287 V CA 2.376 64.414 62.300 -0.437 0.000 1.049 287 V CB -0.686 30.785 31.823 -0.585 0.000 0.662 287 V HN 0.703 nan 8.190 nan 0.000 0.455 288 E N 0.065 120.132 120.200 -0.222 0.000 2.072 288 E HA -0.186 4.163 4.350 -0.002 0.000 0.191 288 E C 2.281 178.824 176.600 -0.095 0.000 0.985 288 E CA 1.351 57.672 56.400 -0.132 0.000 0.801 288 E CB -0.211 29.420 29.700 -0.116 0.000 0.750 288 E HN 0.535 nan 8.360 nan 0.000 0.452 289 Q N -0.288 119.353 119.800 -0.265 0.000 2.083 289 Q HA 0.040 4.378 4.340 -0.002 0.000 0.198 289 Q C 2.174 178.174 176.000 -0.001 0.000 0.969 289 Q CA 1.374 57.085 55.803 -0.153 0.000 0.838 289 Q CB -0.476 28.113 28.738 -0.248 0.000 0.900 289 Q HN 0.372 nan 8.270 nan 0.000 0.436 290 A N 0.730 123.477 122.820 -0.122 0.000 2.070 290 A HA -0.203 4.116 4.320 -0.002 0.000 0.220 290 A C 1.930 179.607 177.584 0.154 0.000 1.159 290 A CA 1.385 53.417 52.037 -0.008 0.000 0.656 290 A CB -0.627 18.391 19.000 0.030 0.000 0.800 290 A HN 0.408 nan 8.150 nan 0.000 0.453 291 H N -1.051 118.072 119.070 0.088 0.000 2.306 291 H HA -0.042 4.513 4.556 -0.002 0.000 0.307 291 H C 2.012 177.532 175.328 0.321 0.000 1.061 291 H CA 1.447 57.630 56.048 0.225 0.000 1.359 291 H CB 0.022 29.848 29.762 0.106 0.000 1.407 291 H HN 0.369 nan 8.280 nan 0.000 0.517 292 Q N 0.330 120.274 119.800 0.240 0.000 2.077 292 Q HA -0.090 4.249 4.340 -0.002 0.000 0.206 292 Q C 2.355 178.490 176.000 0.225 0.000 0.989 292 Q CA 1.358 57.283 55.803 0.203 0.000 0.853 292 Q CB -0.981 27.824 28.738 0.112 0.000 0.907 292 Q HN 0.581 nan 8.270 nan 0.000 0.418 293 G N -0.498 108.453 108.800 0.252 0.000 2.708 293 G HA2 0.059 4.017 3.960 -0.002 0.000 0.210 293 G HA3 0.059 4.017 3.960 -0.002 0.000 0.210 293 G C 1.142 176.268 174.900 0.377 0.000 1.141 293 G CA 0.532 45.858 45.100 0.377 0.000 0.788 293 G HN 0.252 nan 8.290 nan 0.000 0.531 294 V N -1.549 118.477 119.914 0.187 0.000 3.539 294 V HA 0.315 4.434 4.120 -0.002 0.000 0.262 294 V C 1.269 177.210 176.094 -0.255 0.000 1.381 294 V CA 0.181 62.459 62.300 -0.036 0.000 1.060 294 V CB -0.078 31.641 31.823 -0.174 0.000 0.842 294 V HN 0.264 nan 8.190 nan 0.000 0.445 295 F N -1.128 118.830 119.950 0.013 0.000 2.706 295 F HA 0.406 4.932 4.527 -0.002 0.000 0.308 295 F C 0.806 176.687 175.800 0.136 0.000 1.095 295 F CA -0.823 57.181 58.000 0.007 0.000 1.244 295 F CB 0.291 39.188 39.000 -0.171 0.000 1.063 295 F HN 0.070 nan 8.300 nan 0.000 0.582 296 F N 2.075 122.128 119.950 0.171 0.000 2.595 296 F HA 0.072 4.598 4.527 -0.002 0.000 0.359 296 F C 1.334 177.231 175.800 0.161 0.000 1.147 296 F CA -0.326 57.771 58.000 0.162 0.000 1.341 296 F CB 0.050 39.130 39.000 0.135 0.000 1.104 296 F HN 0.174 nan 8.300 nan 0.000 0.603 297 N N 2.775 121.121 118.700 -0.590 0.000 2.710 297 N HA -0.304 4.435 4.740 -0.002 0.000 0.249 297 N C -0.015 175.404 175.510 -0.151 0.000 1.059 297 N CA 1.370 54.119 53.050 -0.501 0.000 0.720 297 N CB -0.860 37.233 38.487 -0.657 0.000 0.983 297 N HN 0.690 nan 8.380 nan 0.000 0.544 298 Q N -3.057 116.742 119.800 -0.002 0.000 2.489 298 Q HA -0.167 4.172 4.340 -0.002 0.000 0.259 298 Q C 1.340 177.402 176.000 0.102 0.000 0.934 298 Q CA 2.197 58.051 55.803 0.085 0.000 1.131 298 Q CB -1.944 26.818 28.738 0.041 0.000 1.472 298 Q HN 1.135 nan 8.270 nan 0.000 0.560 299 G N -0.467 108.385 108.800 0.087 0.000 2.302 299 G HA2 -0.433 3.526 3.960 -0.002 0.000 0.263 299 G HA3 -0.433 3.526 3.960 -0.002 0.000 0.263 299 G C 0.369 175.328 174.900 0.098 0.000 0.995 299 G CA 0.637 45.767 45.100 0.051 0.000 0.622 299 G HN 0.694 nan 8.290 nan 0.000 0.538 300 Q N 0.097 119.973 119.800 0.126 0.000 2.945 300 Q HA 0.436 4.775 4.340 -0.002 0.000 0.323 300 Q C 0.465 176.522 176.000 0.094 0.000 1.188 300 Q CA 0.204 56.135 55.803 0.214 0.000 0.929 300 Q CB -0.596 28.335 28.738 0.322 0.000 1.531 300 Q HN 1.013 nan 8.270 nan 0.000 0.444 301 C N -0.928 118.429 119.300 0.094 0.000 2.356 301 C HA 0.483 4.942 4.460 -0.002 0.000 0.324 301 C C 1.876 176.974 174.990 0.181 0.000 1.167 301 C CA -1.161 57.934 59.018 0.129 0.000 1.420 301 C CB -0.255 27.650 27.740 0.274 0.000 2.036 301 C HN 0.797 nan 8.230 nan 0.000 0.435 302 C N 1.981 121.367 119.300 0.144 0.000 2.396 302 C HA -0.160 4.299 4.460 -0.002 0.000 0.279 302 C C 2.361 177.436 174.990 0.142 0.000 1.229 302 C CA 2.047 61.143 59.018 0.130 0.000 1.801 302 C CB -2.424 25.367 27.740 0.085 0.000 2.050 302 C HN 1.002 nan 8.230 nan 0.000 0.491 303 T N -1.691 112.963 114.554 0.166 0.000 3.496 303 T HA 0.472 4.820 4.350 -0.002 0.000 0.253 303 T C 0.220 174.915 174.700 -0.009 0.000 1.134 303 T CA 0.700 62.853 62.100 0.089 0.000 0.993 303 T CB -0.747 68.163 68.868 0.069 0.000 1.018 303 T HN 1.534 nan 8.240 nan 0.000 0.571 304 A N -0.309 122.564 122.820 0.088 0.000 2.518 304 A HA 0.691 5.010 4.320 -0.002 0.000 0.295 304 A C 0.065 177.776 177.584 0.211 0.000 1.052 304 A CA -0.546 51.569 52.037 0.131 0.000 0.824 304 A CB 0.621 19.681 19.000 0.101 0.000 1.325 304 A HN 0.547 nan 8.150 nan 0.000 0.394 305 G N 0.181 109.155 108.800 0.290 0.000 2.502 305 G HA2 0.516 4.475 3.960 -0.002 0.000 0.305 305 G HA3 0.516 4.475 3.960 -0.002 0.000 0.305 305 G C 0.866 175.819 174.900 0.088 0.000 1.190 305 G CA 0.268 45.465 45.100 0.161 0.000 0.933 305 G HN 1.581 nan 8.290 nan 0.000 0.503 306 S N -1.143 114.557 115.700 -0.000 0.000 2.511 306 S HA 0.112 4.581 4.470 -0.002 0.000 0.214 306 S C 0.876 175.429 174.600 -0.077 0.000 0.997 306 S CA -0.463 57.694 58.200 -0.071 0.000 0.908 306 S CB 0.061 63.189 63.200 -0.120 0.000 0.803 306 S HN 0.659 nan 8.310 nan 0.000 0.504 307 R N 1.513 121.975 120.500 -0.064 0.000 2.357 307 R HA 0.636 4.974 4.340 -0.002 0.000 0.296 307 R C -0.859 175.352 176.300 -0.148 0.000 1.052 307 R CA -0.313 55.699 56.100 -0.147 0.000 0.988 307 R CB 0.389 30.612 30.300 -0.130 0.000 1.025 307 R HN 0.273 nan 8.270 nan 0.000 0.469 308 I N 3.196 123.600 120.570 -0.277 0.000 2.497 308 I HA 0.248 4.416 4.170 -0.002 0.000 0.284 308 I C -1.014 174.909 176.117 -0.323 0.000 1.060 308 I CA -0.816 60.361 61.300 -0.206 0.000 1.071 308 I CB 1.413 39.325 38.000 -0.147 0.000 1.216 308 I HN 0.456 nan 8.210 nan 0.000 0.442 309 F N 6.057 125.925 119.950 -0.136 0.000 2.390 309 F HA 0.416 4.941 4.527 -0.002 0.000 0.361 309 F C 0.317 176.144 175.800 0.045 0.000 1.124 309 F CA -0.615 57.333 58.000 -0.087 0.000 1.149 309 F CB 1.063 39.862 39.000 -0.336 0.000 1.160 309 F HN 0.039 nan 8.300 nan 0.000 0.501 310 V N 2.586 122.671 119.914 0.286 0.000 2.630 310 V HA 0.273 4.392 4.120 -0.002 0.000 0.305 310 V C 0.076 176.183 176.094 0.021 0.000 1.046 310 V CA -1.232 61.150 62.300 0.138 0.000 0.934 310 V CB 1.761 33.465 31.823 -0.200 0.000 1.003 310 V HN 0.639 nan 8.190 nan 0.000 0.451 311 E N 1.718 121.722 120.200 -0.327 0.000 2.338 311 E HA 0.113 4.461 4.350 -0.002 0.000 0.272 311 E C 0.766 177.173 176.600 -0.322 0.000 1.029 311 E CA -0.113 55.791 56.400 -0.826 0.000 0.872 311 E CB 0.832 30.241 29.700 -0.485 0.000 1.015 311 E HN 0.715 nan 8.360 nan 0.000 0.417 312 E N 1.396 121.385 120.200 -0.351 0.000 2.136 312 E HA -0.270 4.079 4.350 -0.002 0.000 0.202 312 E C 1.711 178.290 176.600 -0.034 0.000 1.019 312 E CA 1.866 58.170 56.400 -0.161 0.000 0.819 312 E CB 0.049 29.648 29.700 -0.169 0.000 0.739 312 E HN 0.419 nan 8.360 nan 0.000 0.458 313 S N 0.336 116.010 115.700 -0.042 0.000 2.383 313 S HA -0.140 4.328 4.470 -0.002 0.000 0.229 313 S C 1.975 176.610 174.600 0.058 0.000 1.030 313 S CA 1.398 59.606 58.200 0.014 0.000 1.002 313 S CB -0.208 63.002 63.200 0.016 0.000 0.829 313 S HN 0.433 nan 8.310 nan 0.000 0.467 314 I N -2.921 117.696 120.570 0.077 0.000 4.082 314 I HA 0.319 4.488 4.170 -0.002 0.000 0.337 314 I C 1.698 177.920 176.117 0.174 0.000 1.352 314 I CA -0.270 61.104 61.300 0.123 0.000 1.097 314 I CB -0.311 37.776 38.000 0.145 0.000 1.048 314 I HN 0.012 nan 8.210 nan 0.000 0.393 315 Y N 2.790 123.100 120.300 0.016 0.000 2.114 315 Y HA -0.340 4.208 4.550 -0.002 0.000 0.282 315 Y C 2.462 178.417 175.900 0.091 0.000 1.165 315 Y CA 2.526 60.641 58.100 0.026 0.000 1.148 315 Y CB -0.089 38.355 38.460 -0.025 0.000 0.972 315 Y HN 0.354 nan 8.280 nan 0.000 0.504 316 E N 0.270 120.579 120.200 0.182 0.000 2.007 316 E HA -0.248 4.101 4.350 -0.002 0.000 0.203 316 E C 2.151 178.764 176.600 0.022 0.000 1.020 316 E CA 2.090 58.543 56.400 0.089 0.000 0.845 316 E CB -0.323 29.436 29.700 0.098 0.000 0.779 316 E HN 0.418 nan 8.360 nan 0.000 0.466 317 E N -0.270 119.959 120.200 0.047 0.000 2.097 317 E HA -0.202 4.147 4.350 -0.002 0.000 0.196 317 E C 2.039 178.637 176.600 -0.003 0.000 1.000 317 E CA 0.918 57.328 56.400 0.017 0.000 0.804 317 E CB -0.568 29.149 29.700 0.028 0.000 0.740 317 E HN 0.329 nan 8.360 nan 0.000 0.454 318 F N 1.283 121.176 119.950 -0.096 0.000 2.095 318 F HA -0.231 4.294 4.527 -0.002 0.000 0.298 318 F C 2.347 178.047 175.800 -0.168 0.000 1.104 318 F CA 1.097 59.023 58.000 -0.122 0.000 1.232 318 F CB -0.333 38.596 39.000 -0.119 0.000 0.987 318 F HN -0.189 nan 8.300 nan 0.000 0.475 319 V N 0.510 120.438 119.914 0.023 0.000 2.324 319 V HA -0.359 3.759 4.120 -0.002 0.000 0.250 319 V C 2.307 178.352 176.094 -0.082 0.000 1.060 319 V CA 2.387 64.637 62.300 -0.082 0.000 1.042 319 V CB -0.731 30.939 31.823 -0.254 0.000 0.650 319 V HN 0.312 nan 8.190 nan 0.000 0.450 320 K N -0.590 119.757 120.400 -0.089 0.000 2.062 320 K HA -0.070 4.249 4.320 -0.002 0.000 0.205 320 K C 2.418 178.938 176.600 -0.134 0.000 1.051 320 K CA 0.810 57.043 56.287 -0.090 0.000 0.941 320 K CB -0.235 32.225 32.500 -0.067 0.000 0.719 320 K HN 0.255 nan 8.250 nan 0.000 0.440 321 R N 0.842 121.227 120.500 -0.191 0.000 2.105 321 R HA -0.057 4.282 4.340 -0.002 0.000 0.239 321 R C 2.334 178.452 176.300 -0.304 0.000 1.135 321 R CA 1.326 57.267 56.100 -0.264 0.000 0.967 321 R CB -0.764 29.314 30.300 -0.370 0.000 0.861 321 R HN 0.128 nan 8.270 nan 0.000 0.442 322 S N 0.849 116.361 115.700 -0.314 0.000 2.355 322 S HA -0.105 4.364 4.470 -0.002 0.000 0.222 322 S C 2.237 176.775 174.600 -0.102 0.000 1.031 322 S CA 1.451 59.534 58.200 -0.195 0.000 0.993 322 S CB -0.504 62.673 63.200 -0.038 0.000 0.859 322 S HN 0.333 nan 8.310 nan 0.000 0.453 323 V N 1.304 121.171 119.914 -0.078 0.000 2.332 323 V HA -0.195 3.924 4.120 -0.002 0.000 0.248 323 V C 1.886 177.920 176.094 -0.100 0.000 1.055 323 V CA 1.845 64.108 62.300 -0.061 0.000 1.038 323 V CB -1.082 30.708 31.823 -0.056 0.000 0.651 323 V HN 0.419 nan 8.190 nan 0.000 0.450 324 E N 0.046 120.169 120.200 -0.129 0.000 2.153 324 E HA -0.173 4.175 4.350 -0.002 0.000 0.194 324 E C 2.451 178.941 176.600 -0.183 0.000 0.988 324 E CA 1.181 57.499 56.400 -0.136 0.000 0.811 324 E CB -0.211 29.410 29.700 -0.132 0.000 0.746 324 E HN 0.508 nan 8.360 nan 0.000 0.466 325 R N 0.577 120.914 120.500 -0.272 0.000 2.062 325 R HA -0.050 4.289 4.340 -0.002 0.000 0.231 325 R C 2.339 178.416 176.300 -0.373 0.000 1.136 325 R CA 1.240 57.075 56.100 -0.442 0.000 0.948 325 R CB -0.878 28.908 30.300 -0.856 0.000 0.845 325 R HN 0.159 nan 8.270 nan 0.000 0.430 326 A N 1.683 124.354 122.820 -0.248 0.000 1.865 326 A HA -0.206 4.112 4.320 -0.002 0.000 0.217 326 A C 2.123 179.623 177.584 -0.140 0.000 1.191 326 A CA 1.772 53.706 52.037 -0.172 0.000 0.623 326 A CB -0.464 18.497 19.000 -0.065 0.000 0.826 326 A HN 0.274 nan 8.150 nan 0.000 0.444 327 K N -0.677 119.657 120.400 -0.110 0.000 2.218 327 K HA -0.141 4.177 4.320 -0.002 0.000 0.205 327 K C 1.325 177.875 176.600 -0.084 0.000 1.046 327 K CA 1.394 57.631 56.287 -0.084 0.000 0.933 327 K CB -0.122 32.333 32.500 -0.076 0.000 0.728 327 K HN 0.438 nan 8.250 nan 0.000 0.454 328 R N 0.554 120.990 120.500 -0.107 0.000 2.466 328 R HA 0.116 4.455 4.340 -0.002 0.000 0.279 328 R C 0.097 176.351 176.300 -0.077 0.000 0.976 328 R CA -0.175 55.872 56.100 -0.088 0.000 1.081 328 R CB 0.267 30.509 30.300 -0.096 0.000 1.215 328 R HN -0.005 nan 8.270 nan 0.000 0.546 329 R N 1.443 121.894 120.500 -0.082 0.000 2.265 329 R HA 0.209 4.547 4.340 -0.002 0.000 0.314 329 R C -0.587 175.702 176.300 -0.020 0.000 1.053 329 R CA -0.466 55.602 56.100 -0.054 0.000 0.931 329 R CB 0.529 30.766 30.300 -0.105 0.000 1.024 329 R HN -0.095 nan 8.270 nan 0.000 0.457 330 I N 5.683 126.258 120.570 0.008 0.000 2.308 330 I HA 0.091 4.260 4.170 -0.002 0.000 0.293 330 I C -0.502 175.644 176.117 0.047 0.000 1.078 330 I CA 0.036 61.347 61.300 0.018 0.000 1.292 330 I CB 1.203 39.218 38.000 0.024 0.000 1.423 330 I HN 0.248 nan 8.210 nan 0.000 0.493 331 V N 6.010 125.946 119.914 0.036 0.000 2.394 331 V HA 0.966 5.085 4.120 -0.002 0.000 0.282 331 V C 0.628 176.699 176.094 -0.039 0.000 1.031 331 V CA -0.314 62.033 62.300 0.079 0.000 0.881 331 V CB 0.678 32.569 31.823 0.113 0.000 0.982 331 V HN 0.926 nan 8.190 nan 0.000 0.451 332 G N 2.245 111.049 108.800 0.005 0.000 2.342 332 G HA2 0.374 4.333 3.960 -0.002 0.000 0.297 332 G HA3 0.374 4.333 3.960 -0.002 0.000 0.297 332 G C -0.611 174.315 174.900 0.044 0.000 1.313 332 G CA -0.314 44.690 45.100 -0.160 0.000 0.830 332 G HN 0.661 nan 8.290 nan 0.000 0.506 333 S N 1.454 117.145 115.700 -0.014 0.000 2.784 333 S HA 0.146 4.615 4.470 -0.002 0.000 0.322 333 S C -0.270 174.393 174.600 0.106 0.000 1.234 333 S CA 0.235 58.472 58.200 0.061 0.000 1.064 333 S CB 0.687 63.888 63.200 0.002 0.000 0.787 333 S HN 0.400 nan 8.310 nan 0.000 0.506 334 P HA -0.094 nan 4.420 nan 0.000 0.223 334 P C 0.849 178.346 177.300 0.329 0.000 1.144 334 P CA 0.946 64.142 63.100 0.159 0.000 0.783 334 P CB -0.041 31.707 31.700 0.080 0.000 0.771 335 F N 0.012 120.004 119.950 0.069 0.000 2.710 335 F HA 0.114 4.640 4.527 -0.002 0.000 0.298 335 F C 1.135 176.931 175.800 -0.007 0.000 1.137 335 F CA -0.631 57.365 58.000 -0.006 0.000 1.444 335 F CB -0.908 38.046 39.000 -0.077 0.000 1.111 335 F HN -0.041 nan 8.300 nan 0.000 0.580 336 D N 2.606 123.132 120.400 0.210 0.000 2.316 336 D HA 0.085 4.724 4.640 -0.002 0.000 0.245 336 D C -1.721 174.661 176.300 0.136 0.000 1.171 336 D CA -2.117 51.957 54.000 0.123 0.000 0.856 336 D CB 1.728 42.577 40.800 0.081 0.000 1.090 336 D HN -0.004 nan 8.370 nan 0.000 0.476 337 P HA -0.144 nan 4.420 nan 0.000 0.223 337 P C 1.109 178.479 177.300 0.117 0.000 1.144 337 P CA 1.017 64.199 63.100 0.136 0.000 0.783 337 P CB -0.029 31.737 31.700 0.110 0.000 0.771 338 T N -3.711 110.896 114.554 0.089 0.000 3.067 338 T HA -0.019 4.330 4.350 -0.002 0.000 0.261 338 T C 1.010 175.760 174.700 0.082 0.000 1.110 338 T CA 0.447 62.591 62.100 0.073 0.000 1.113 338 T CB -1.423 67.472 68.868 0.045 0.000 0.917 338 T HN 0.224 nan 8.240 nan 0.000 0.499 339 T N 0.454 115.068 114.554 0.100 0.000 2.870 339 T HA 0.293 4.641 4.350 -0.002 0.000 0.300 339 T C 0.574 175.357 174.700 0.138 0.000 0.989 339 T CA -0.471 61.695 62.100 0.111 0.000 1.139 339 T CB 1.275 70.219 68.868 0.127 0.000 0.920 339 T HN 0.441 nan 8.240 nan 0.000 0.537 340 E N 1.773 122.052 120.200 0.132 0.000 2.206 340 E HA 0.075 4.424 4.350 -0.002 0.000 0.195 340 E C 0.825 177.529 176.600 0.174 0.000 0.935 340 E CA -0.050 56.442 56.400 0.153 0.000 0.875 340 E CB 0.392 30.169 29.700 0.129 0.000 0.841 340 E HN 0.765 nan 8.360 nan 0.000 0.477 341 Q N 0.728 120.629 119.800 0.168 0.000 2.293 341 Q HA 0.449 4.787 4.340 -0.002 0.000 0.261 341 Q C -0.477 175.661 176.000 0.230 0.000 0.960 341 Q CA -0.618 55.299 55.803 0.191 0.000 0.882 341 Q CB 1.593 30.447 28.738 0.195 0.000 1.275 341 Q HN 0.133 nan 8.270 nan 0.000 0.445 342 G N 3.026 111.929 108.800 0.172 0.000 2.642 342 G HA2 0.593 4.551 3.960 -0.002 0.000 0.291 342 G HA3 0.593 4.551 3.960 -0.002 0.000 0.291 342 G C -2.591 172.267 174.900 -0.070 0.000 1.345 342 G CA -1.235 43.945 45.100 0.133 0.000 1.043 342 G HN 0.586 nan 8.290 nan 0.000 0.528 343 P HA 0.191 nan 4.420 nan 0.000 0.276 343 P C -0.756 176.358 177.300 -0.309 0.000 1.252 343 P CA -0.388 62.151 63.100 -0.936 0.000 0.802 343 P CB 1.134 32.000 31.700 -1.391 0.000 1.035 344 Q N 0.691 120.413 119.800 -0.131 0.000 2.443 344 Q HA 0.102 4.441 4.340 -0.002 0.000 0.232 344 Q C 1.088 176.974 176.000 -0.190 0.000 1.026 344 Q CA -0.333 55.427 55.803 -0.073 0.000 0.924 344 Q CB 0.311 29.087 28.738 0.064 0.000 1.256 344 Q HN 0.422 nan 8.270 nan 0.000 0.519 345 I N 0.061 120.398 120.570 -0.388 0.000 2.353 345 I HA -0.129 4.039 4.170 -0.002 0.000 0.248 345 I C 0.093 175.806 176.117 -0.673 0.000 1.119 345 I CA 1.451 62.420 61.300 -0.552 0.000 1.417 345 I CB 0.340 37.748 38.000 -0.987 0.000 1.078 345 I HN 0.420 nan 8.210 nan 0.000 0.421 346 D N -1.658 118.260 120.400 -0.803 0.000 2.531 346 D HA 0.172 4.811 4.640 -0.002 0.000 0.244 346 D C 0.438 176.009 176.300 -1.216 0.000 1.090 346 D CA -0.393 53.008 54.000 -0.998 0.000 0.989 346 D CB 2.118 42.534 40.800 -0.640 0.000 1.433 346 D HN -0.189 nan 8.370 nan 0.000 0.492 347 K N 0.935 120.658 120.400 -1.130 0.000 2.062 347 K HA -0.064 4.255 4.320 -0.002 0.000 0.205 347 K C 1.649 178.151 176.600 -0.163 0.000 1.051 347 K CA 1.366 57.344 56.287 -0.515 0.000 0.941 347 K CB 0.156 32.563 32.500 -0.155 0.000 0.719 347 K HN 0.179 nan 8.250 nan 0.000 0.440 348 K N 0.110 120.377 120.400 -0.222 0.000 2.002 348 K HA -0.242 4.077 4.320 -0.002 0.000 0.209 348 K C 2.350 178.880 176.600 -0.115 0.000 1.048 348 K CA 1.903 58.115 56.287 -0.125 0.000 0.930 348 K CB -0.122 32.293 32.500 -0.142 0.000 0.714 348 K HN 0.126 nan 8.250 nan 0.000 0.438 349 Q N -0.381 119.286 119.800 -0.222 0.000 2.119 349 Q HA -0.195 4.144 4.340 -0.002 0.000 0.201 349 Q C 1.815 177.802 176.000 -0.021 0.000 0.972 349 Q CA 1.657 57.341 55.803 -0.199 0.000 0.847 349 Q CB -0.406 28.114 28.738 -0.362 0.000 0.903 349 Q HN 0.480 nan 8.270 nan 0.000 0.433 350 Y N 0.499 120.709 120.300 -0.150 0.000 2.097 350 Y HA -0.274 4.275 4.550 -0.002 0.000 0.282 350 Y C 1.768 177.701 175.900 0.054 0.000 1.152 350 Y CA 2.196 60.289 58.100 -0.013 0.000 1.136 350 Y CB -0.355 38.125 38.460 0.034 0.000 0.975 350 Y HN 0.224 nan 8.280 nan 0.000 0.498 351 N N 0.633 119.397 118.700 0.106 0.000 2.120 351 N HA -0.201 4.538 4.740 -0.002 0.000 0.188 351 N C 1.867 177.379 175.510 0.003 0.000 1.024 351 N CA 1.545 54.609 53.050 0.023 0.000 0.852 351 N CB -0.432 38.122 38.487 0.111 0.000 1.003 351 N HN 0.413 nan 8.380 nan 0.000 0.424 352 K N 0.872 121.309 120.400 0.061 0.000 2.152 352 K HA -0.021 4.297 4.320 -0.002 0.000 0.206 352 K C 1.990 178.694 176.600 0.174 0.000 1.048 352 K CA 0.770 57.144 56.287 0.145 0.000 0.933 352 K CB 0.015 32.637 32.500 0.204 0.000 0.721 352 K HN 0.126 nan 8.250 nan 0.000 0.447 353 I N 0.449 121.094 120.570 0.125 0.000 2.277 353 I HA -0.247 3.922 4.170 -0.002 0.000 0.243 353 I C 2.028 178.128 176.117 -0.028 0.000 1.094 353 I CA 0.804 62.143 61.300 0.065 0.000 1.393 353 I CB -0.092 37.943 38.000 0.059 0.000 1.078 353 I HN 0.151 nan 8.210 nan 0.000 0.417 354 L N 0.183 121.333 121.223 -0.123 0.000 2.027 354 L HA -0.203 4.136 4.340 -0.002 0.000 0.206 354 L C 2.511 179.362 176.870 -0.031 0.000 1.074 354 L CA 1.251 56.025 54.840 -0.110 0.000 0.745 354 L CB -0.568 41.358 42.059 -0.221 0.000 0.898 354 L HN 0.161 nan 8.230 nan 0.000 0.433 355 E N 0.187 120.376 120.200 -0.019 0.000 2.118 355 E HA -0.234 4.115 4.350 -0.002 0.000 0.195 355 E C 1.967 178.569 176.600 0.003 0.000 0.992 355 E CA 1.077 57.480 56.400 0.006 0.000 0.804 355 E CB -0.239 29.474 29.700 0.021 0.000 0.741 355 E HN 0.181 nan 8.360 nan 0.000 0.458 356 L N -0.020 121.201 121.223 -0.005 0.000 2.109 356 L HA -0.023 4.316 4.340 -0.002 0.000 0.207 356 L C 1.895 178.739 176.870 -0.043 0.000 1.086 356 L CA 1.193 56.009 54.840 -0.039 0.000 0.760 356 L CB -0.192 41.822 42.059 -0.074 0.000 0.910 356 L HN 0.175 nan 8.230 nan 0.000 0.437 357 I N -1.139 119.442 120.570 0.018 0.000 2.142 357 I HA -0.351 3.818 4.170 -0.002 0.000 0.240 357 I C 2.459 178.663 176.117 0.145 0.000 1.078 357 I CA 1.282 62.662 61.300 0.133 0.000 1.343 357 I CB -0.405 37.698 38.000 0.171 0.000 1.046 357 I HN 0.333 nan 8.210 nan 0.000 0.405 358 Q N 0.246 120.098 119.800 0.086 0.000 2.062 358 Q HA -0.277 4.061 4.340 -0.002 0.000 0.209 358 Q C 2.384 178.413 176.000 0.048 0.000 0.996 358 Q CA 2.386 58.234 55.803 0.075 0.000 0.859 358 Q CB -0.354 28.410 28.738 0.043 0.000 0.920 358 Q HN 0.446 nan 8.270 nan 0.000 0.415 359 S N -0.124 115.579 115.700 0.004 0.000 2.378 359 S HA -0.255 4.214 4.470 -0.002 0.000 0.229 359 S C 1.975 176.539 174.600 -0.061 0.000 1.052 359 S CA 1.796 59.978 58.200 -0.030 0.000 1.084 359 S CB -0.896 62.271 63.200 -0.055 0.000 0.950 359 S HN 0.605 nan 8.310 nan 0.000 0.440 360 G N 0.401 109.115 108.800 -0.144 0.000 2.442 360 G HA2 -0.156 3.803 3.960 -0.002 0.000 0.219 360 G HA3 -0.156 3.803 3.960 -0.002 0.000 0.219 360 G C 1.515 176.396 174.900 -0.031 0.000 1.141 360 G CA 1.170 46.099 45.100 -0.285 0.000 0.763 360 G HN 0.515 nan 8.290 nan 0.000 0.554 361 V N 1.316 121.315 119.914 0.141 0.000 2.295 361 V HA -0.019 4.100 4.120 -0.002 0.000 0.246 361 V C 2.867 179.015 176.094 0.091 0.000 1.049 361 V CA 1.748 64.162 62.300 0.190 0.000 1.024 361 V CB -0.641 31.287 31.823 0.176 0.000 0.648 361 V HN 0.433 nan 8.190 nan 0.000 0.447 362 A N -0.860 121.992 122.820 0.053 0.000 2.416 362 A HA 0.144 4.462 4.320 -0.002 0.000 0.252 362 A C 1.425 179.018 177.584 0.015 0.000 1.353 362 A CA 0.669 52.725 52.037 0.032 0.000 0.996 362 A CB -0.464 18.551 19.000 0.025 0.000 0.961 362 A HN 0.628 nan 8.150 nan 0.000 0.523 363 E N -2.154 118.052 120.200 0.011 0.000 2.744 363 E HA 0.314 4.663 4.350 -0.002 0.000 0.210 363 E C 0.932 177.533 176.600 0.002 0.000 0.950 363 E CA 0.646 57.043 56.400 -0.006 0.000 1.282 363 E CB 0.292 29.971 29.700 -0.034 0.000 1.123 363 E HN 0.667 nan 8.360 nan 0.000 0.544 364 G N 0.918 109.734 108.800 0.027 0.000 2.339 364 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.209 364 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.209 364 G C 0.502 175.445 174.900 0.072 0.000 1.015 364 G CA -0.167 44.957 45.100 0.040 0.000 0.635 364 G HN 0.540 nan 8.290 nan 0.000 0.499 365 A N 0.830 123.690 122.820 0.068 0.000 2.561 365 A HA 0.448 4.767 4.320 -0.002 0.000 0.234 365 A C 0.648 178.410 177.584 0.297 0.000 1.055 365 A CA 1.390 53.521 52.037 0.156 0.000 0.756 365 A CB 0.170 19.164 19.000 -0.010 0.000 0.986 365 A HN 0.783 nan 8.150 nan 0.000 0.505 366 K N 2.984 123.553 120.400 0.282 0.000 2.250 366 K HA 0.289 4.608 4.320 -0.002 0.000 0.280 366 K C -0.590 176.061 176.600 0.084 0.000 1.098 366 K CA -0.624 55.767 56.287 0.174 0.000 0.916 366 K CB 0.170 32.740 32.500 0.116 0.000 1.209 366 K HN 0.573 nan 8.250 nan 0.000 0.461 367 L N 5.579 126.776 121.223 -0.043 0.000 2.678 367 L HA 0.020 4.359 4.340 -0.002 0.000 0.276 367 L C 0.809 177.530 176.870 -0.249 0.000 1.142 367 L CA 0.793 55.385 54.840 -0.414 0.000 0.961 367 L CB 0.213 42.091 42.059 -0.301 0.000 1.291 367 L HN 0.686 nan 8.230 nan 0.000 0.476 368 E N 3.827 123.877 120.200 -0.249 0.000 2.285 368 E HA 0.032 4.381 4.350 -0.002 0.000 0.194 368 E C 0.342 176.871 176.600 -0.119 0.000 0.997 368 E CA 0.833 57.156 56.400 -0.128 0.000 0.845 368 E CB -0.064 29.587 29.700 -0.082 0.000 0.782 368 E HN 0.787 nan 8.360 nan 0.000 0.491 369 C N -3.264 115.938 119.300 -0.163 0.000 3.249 369 C HA 0.653 5.111 4.460 -0.002 0.000 0.358 369 C C 0.617 175.545 174.990 -0.102 0.000 1.187 369 C CA -0.697 58.259 59.018 -0.103 0.000 1.170 369 C CB 0.836 28.539 27.740 -0.061 0.000 1.478 369 C HN 0.526 nan 8.230 nan 0.000 0.508 370 G N 0.607 109.374 108.800 -0.055 0.000 2.749 370 G HA2 0.445 4.404 3.960 -0.002 0.000 0.242 370 G HA3 0.445 4.404 3.960 -0.002 0.000 0.242 370 G C 0.878 175.752 174.900 -0.044 0.000 1.364 370 G CA 1.238 46.325 45.100 -0.021 0.000 0.888 370 G HN 3.346 nan 8.290 nan 0.000 0.566 371 G N -1.657 107.144 108.800 0.002 0.000 2.559 371 G HA2 0.415 4.374 3.960 -0.002 0.000 0.202 371 G HA3 0.415 4.374 3.960 -0.002 0.000 0.202 371 G C 0.057 174.978 174.900 0.035 0.000 0.992 371 G CA 1.055 46.163 45.100 0.013 0.000 0.764 371 G HN 1.864 nan 8.290 nan 0.000 0.525 372 K N -0.155 120.270 120.400 0.041 0.000 2.522 372 K HA 0.722 5.041 4.320 -0.002 0.000 0.275 372 K C 0.524 177.176 176.600 0.087 0.000 1.006 372 K CA -0.393 55.923 56.287 0.048 0.000 0.890 372 K CB 1.000 33.532 32.500 0.052 0.000 1.475 372 K HN 0.593 nan 8.250 nan 0.000 0.441 373 G N 0.600 109.480 108.800 0.134 0.000 2.712 373 G HA2 0.204 4.163 3.960 -0.002 0.000 0.258 373 G HA3 0.204 4.163 3.960 -0.002 0.000 0.258 373 G C 0.314 175.338 174.900 0.207 0.000 1.241 373 G CA -0.642 44.626 45.100 0.280 0.000 0.923 373 G HN 0.460 nan 8.290 nan 0.000 0.548 374 L N -0.101 121.257 121.223 0.225 0.000 2.562 374 L HA 0.386 4.725 4.340 -0.002 0.000 0.188 374 L C 1.766 178.670 176.870 0.057 0.000 1.342 374 L CA 0.726 55.633 54.840 0.112 0.000 1.104 374 L CB -0.487 41.615 42.059 0.071 0.000 1.257 374 L HN 0.655 nan 8.230 nan 0.000 0.632 375 G N -1.085 107.725 108.800 0.016 0.000 3.016 375 G HA2 0.465 4.424 3.960 -0.002 0.000 0.270 375 G HA3 0.465 4.424 3.960 -0.002 0.000 0.270 375 G C -1.091 173.795 174.900 -0.024 0.000 1.352 375 G CA -0.621 44.466 45.100 -0.022 0.000 1.060 375 G HN 0.108 nan 8.290 nan 0.000 0.538 376 R N -0.160 120.310 120.500 -0.050 0.000 2.531 376 R HA 0.492 4.831 4.340 -0.002 0.000 0.273 376 R C -0.547 175.689 176.300 -0.107 0.000 1.070 376 R CA -0.160 55.894 56.100 -0.076 0.000 1.112 376 R CB 0.164 30.427 30.300 -0.062 0.000 1.049 376 R HN 0.551 nan 8.270 nan 0.000 0.508 377 K N 1.221 121.520 120.400 -0.169 0.000 6.365 377 K HA -0.127 4.191 4.320 -0.002 0.000 0.786 377 K C -0.348 176.107 176.600 -0.241 0.000 2.401 377 K CA 0.594 56.758 56.287 -0.204 0.000 1.752 377 K CB -1.082 31.346 32.500 -0.121 0.000 2.498 377 K HN 1.202 nan 8.250 nan 0.000 0.213 378 G N 1.987 110.462 108.800 -0.542 0.000 2.728 378 G HA2 -0.153 3.805 3.960 -0.002 0.000 0.294 378 G HA3 -0.153 3.805 3.960 -0.002 0.000 0.294 378 G C -0.733 173.458 174.900 -1.181 0.000 1.342 378 G CA -0.329 44.340 45.100 -0.719 0.000 0.866 378 G HN 0.573 nan 8.290 nan 0.000 0.534 379 F N 0.020 119.759 119.950 -0.351 0.000 2.577 379 F HA 0.524 5.050 4.527 -0.002 0.000 0.342 379 F C 0.286 176.013 175.800 -0.122 0.000 1.479 379 F CA -0.767 56.999 58.000 -0.389 0.000 1.110 379 F CB 0.300 39.094 39.000 -0.343 0.000 1.306 379 F HN 0.314 nan 8.300 nan 0.000 0.554 380 F N 1.476 121.498 119.950 0.121 0.000 2.382 380 F HA 0.605 5.131 4.527 -0.002 0.000 0.331 380 F C 0.371 176.346 175.800 0.291 0.000 1.121 380 F CA -0.830 57.276 58.000 0.177 0.000 1.183 380 F CB 0.856 39.900 39.000 0.074 0.000 1.207 380 F HN -0.082 nan 8.300 nan 0.000 0.555 381 I N 1.136 121.944 120.570 0.397 0.000 2.656 381 I HA 0.208 4.377 4.170 -0.002 0.000 0.292 381 I C -0.797 175.457 176.117 0.229 0.000 1.144 381 I CA -0.979 60.486 61.300 0.275 0.000 1.038 381 I CB 2.301 40.411 38.000 0.184 0.000 1.244 381 I HN 0.622 nan 8.210 nan 0.000 0.420 382 E N 5.879 126.181 120.200 0.170 0.000 2.354 382 E HA 0.289 4.638 4.350 -0.002 0.000 0.269 382 E C -2.538 174.153 176.600 0.153 0.000 1.036 382 E CA -1.896 54.585 56.400 0.135 0.000 0.876 382 E CB 0.013 29.762 29.700 0.082 0.000 1.009 382 E HN 0.176 nan 8.360 nan 0.000 0.416 383 P HA -0.072 nan 4.420 nan 0.000 0.255 383 P C -1.069 176.355 177.300 0.206 0.000 1.173 383 P CA 0.690 63.912 63.100 0.203 0.000 0.780 383 P CB 0.223 31.863 31.700 -0.102 0.000 0.758 384 T N 3.684 118.419 114.554 0.302 0.000 2.788 384 T HA 0.364 4.713 4.350 -0.002 0.000 0.296 384 T C 0.099 174.885 174.700 0.143 0.000 1.009 384 T CA -0.428 61.750 62.100 0.129 0.000 0.949 384 T CB 0.678 69.601 68.868 0.092 0.000 0.946 384 T HN -0.067 nan 8.240 nan 0.000 0.453 385 V N 3.914 123.842 119.914 0.024 0.000 2.612 385 V HA 0.645 4.764 4.120 -0.002 0.000 0.301 385 V C -0.742 175.244 176.094 -0.180 0.000 1.046 385 V CA -0.764 61.566 62.300 0.051 0.000 0.946 385 V CB 1.488 33.367 31.823 0.093 0.000 1.003 385 V HN 0.749 nan 8.190 nan 0.000 0.459 386 F N 1.505 121.482 119.950 0.046 0.000 2.565 386 F HA 0.655 5.181 4.527 -0.002 0.000 0.313 386 F C 0.303 176.119 175.800 0.027 0.000 1.091 386 F CA -0.144 57.871 58.000 0.025 0.000 0.915 386 F CB 2.321 41.322 39.000 0.002 0.000 1.208 386 F HN 0.474 nan 8.300 nan 0.000 0.453 387 S N 1.525 117.372 115.700 0.246 0.000 2.677 387 S HA 0.480 4.949 4.470 -0.002 0.000 0.304 387 S C -0.678 174.064 174.600 0.237 0.000 1.108 387 S CA -0.560 57.757 58.200 0.196 0.000 0.944 387 S CB 0.852 64.123 63.200 0.119 0.000 1.127 387 S HN 0.704 nan 8.310 nan 0.000 0.511 388 N N 0.148 119.023 118.700 0.292 0.000 2.669 388 N HA -0.130 4.609 4.740 -0.002 0.000 0.266 388 N C -1.104 174.470 175.510 0.108 0.000 1.024 388 N CA 0.815 53.973 53.050 0.180 0.000 0.766 388 N CB -1.116 37.453 38.487 0.136 0.000 0.898 388 N HN 0.374 nan 8.380 nan 0.000 0.548 389 V N -0.358 119.604 119.914 0.080 0.000 2.547 389 V HA 0.747 4.865 4.120 -0.002 0.000 0.299 389 V C 0.720 176.798 176.094 -0.026 0.000 1.040 389 V CA -0.416 61.885 62.300 0.001 0.000 0.913 389 V CB 2.082 33.880 31.823 -0.042 0.000 0.992 389 V HN 0.434 nan 8.190 nan 0.000 0.449 390 T N -1.371 113.163 114.554 -0.033 0.000 2.907 390 T HA 0.370 4.719 4.350 -0.002 0.000 0.292 390 T C 0.400 175.090 174.700 -0.016 0.000 1.043 390 T CA -0.731 61.361 62.100 -0.014 0.000 1.003 390 T CB 1.903 70.769 68.868 -0.002 0.000 1.084 390 T HN 0.500 nan 8.240 nan 0.000 0.483 391 D N 1.577 121.990 120.400 0.020 0.000 2.133 391 D HA -0.196 4.443 4.640 -0.002 0.000 0.192 391 D C 1.847 178.148 176.300 0.003 0.000 1.001 391 D CA 1.952 55.969 54.000 0.029 0.000 0.844 391 D CB -0.310 40.528 40.800 0.064 0.000 0.944 391 D HN 0.893 nan 8.370 nan 0.000 0.447 392 D N 0.505 120.906 120.400 0.001 0.000 2.315 392 D HA -0.193 4.446 4.640 -0.002 0.000 0.211 392 D C 0.783 177.070 176.300 -0.023 0.000 0.977 392 D CA 0.405 54.401 54.000 -0.007 0.000 0.894 392 D CB -0.385 40.413 40.800 -0.004 0.000 0.910 392 D HN 0.291 nan 8.370 nan 0.000 0.490 393 M N 0.864 120.441 119.600 -0.039 0.000 2.200 393 M HA 0.143 4.621 4.480 -0.002 0.000 0.355 393 M C 1.761 178.014 176.300 -0.077 0.000 1.283 393 M CA -0.375 54.886 55.300 -0.066 0.000 1.124 393 M CB 1.850 34.391 32.600 -0.098 0.000 1.625 393 M HN -0.153 nan 8.290 nan 0.000 0.463 394 R N 3.890 124.345 120.500 -0.075 0.000 2.133 394 R HA -0.225 4.114 4.340 -0.002 0.000 0.245 394 R C 1.807 178.043 176.300 -0.107 0.000 1.137 394 R CA 2.751 58.807 56.100 -0.074 0.000 0.947 394 R CB -0.677 29.583 30.300 -0.066 0.000 0.865 394 R HN 0.908 nan 8.270 nan 0.000 0.437 395 I N -1.387 119.086 120.570 -0.161 0.000 2.315 395 I HA -0.159 4.010 4.170 -0.002 0.000 0.251 395 I C 2.349 178.359 176.117 -0.178 0.000 1.125 395 I CA 1.793 62.965 61.300 -0.213 0.000 1.392 395 I CB -0.580 37.209 38.000 -0.352 0.000 1.065 395 I HN 0.213 nan 8.210 nan 0.000 0.424 396 A N 1.420 124.153 122.820 -0.144 0.000 1.897 396 A HA -0.093 4.226 4.320 -0.002 0.000 0.215 396 A C 2.430 179.979 177.584 -0.058 0.000 1.181 396 A CA 1.426 53.401 52.037 -0.104 0.000 0.620 396 A CB -0.455 18.497 19.000 -0.080 0.000 0.821 396 A HN 0.428 nan 8.150 nan 0.000 0.443 397 K N 0.146 120.518 120.400 -0.048 0.000 2.025 397 K HA -0.046 4.273 4.320 -0.002 0.000 0.207 397 K C 0.187 176.772 176.600 -0.024 0.000 1.049 397 K CA 0.841 57.116 56.287 -0.020 0.000 0.933 397 K CB -0.057 32.435 32.500 -0.013 0.000 0.714 397 K HN 0.596 nan 8.250 nan 0.000 0.438 398 E N 1.311 121.478 120.200 -0.054 0.000 2.313 398 E HA 0.051 4.400 4.350 -0.002 0.000 0.272 398 E C -0.534 175.988 176.600 -0.129 0.000 1.038 398 E CA -0.265 56.096 56.400 -0.065 0.000 0.863 398 E CB 1.254 30.911 29.700 -0.071 0.000 1.060 398 E HN 0.109 nan 8.360 nan 0.000 0.402 399 E N 2.069 122.189 120.200 -0.134 0.000 2.366 399 E HA 0.090 4.438 4.350 -0.002 0.000 0.266 399 E C -0.789 175.477 176.600 -0.555 0.000 1.051 399 E CA -0.526 55.752 56.400 -0.204 0.000 0.884 399 E CB 0.570 30.239 29.700 -0.052 0.000 1.006 399 E HN 0.260 nan 8.360 nan 0.000 0.417 400 I N 5.727 126.022 120.570 -0.458 0.000 2.395 400 I HA 0.074 4.243 4.170 -0.002 0.000 0.282 400 I C -0.249 175.630 176.117 -0.396 0.000 1.107 400 I CA -0.424 60.533 61.300 -0.573 0.000 1.210 400 I CB -0.102 37.723 38.000 -0.292 0.000 1.456 400 I HN 0.376 nan 8.210 nan 0.000 0.504 401 F N 2.153 122.125 119.950 0.038 0.000 2.707 401 F HA 0.567 5.092 4.527 -0.002 0.000 0.301 401 F C 0.984 176.819 175.800 0.060 0.000 1.314 401 F CA -0.865 57.174 58.000 0.066 0.000 1.443 401 F CB -1.409 37.661 39.000 0.116 0.000 1.124 401 F HN 0.310 nan 8.300 nan 0.000 0.521 402 G N -0.148 108.731 108.800 0.132 0.000 2.788 402 G HA2 0.529 4.488 3.960 -0.002 0.000 0.293 402 G HA3 0.529 4.488 3.960 -0.002 0.000 0.293 402 G C -3.128 171.783 174.900 0.018 0.000 1.392 402 G CA -1.662 43.510 45.100 0.120 0.000 0.810 402 G HN -0.152 nan 8.290 nan 0.000 0.508 403 P HA 0.303 nan 4.420 nan 0.000 0.241 403 P C -0.801 176.516 177.300 0.029 0.000 1.760 403 P CA 0.108 63.270 63.100 0.103 0.000 1.081 403 P CB 0.291 32.225 31.700 0.390 0.000 1.975 404 V N 3.769 123.530 119.914 -0.255 0.000 2.655 404 V HA 0.235 4.354 4.120 -0.002 0.000 0.301 404 V C -0.144 175.819 176.094 -0.218 0.000 1.082 404 V CA -0.627 61.612 62.300 -0.101 0.000 0.899 404 V CB 2.305 34.148 31.823 0.033 0.000 1.014 404 V HN 0.368 nan 8.190 nan 0.000 0.429 405 Q N 2.790 122.527 119.800 -0.105 0.000 2.337 405 Q HA 0.832 5.171 4.340 -0.002 0.000 0.266 405 Q C -1.092 174.962 176.000 0.090 0.000 1.023 405 Q CA -0.860 54.903 55.803 -0.066 0.000 0.829 405 Q CB 2.916 31.636 28.738 -0.031 0.000 1.306 405 Q HN 0.676 nan 8.270 nan 0.000 0.449 406 E N 2.662 122.878 120.200 0.025 0.000 2.171 406 E HA 0.464 4.813 4.350 -0.002 0.000 0.271 406 E C -0.955 175.627 176.600 -0.029 0.000 0.916 406 E CA -0.578 55.846 56.400 0.039 0.000 0.774 406 E CB 1.956 31.610 29.700 -0.075 0.000 1.128 406 E HN 0.525 nan 8.360 nan 0.000 0.403 407 I N 4.261 124.845 120.570 0.025 0.000 2.354 407 I HA 0.245 4.413 4.170 -0.002 0.000 0.286 407 I C -0.984 175.168 176.117 0.059 0.000 1.007 407 I CA -0.779 60.514 61.300 -0.012 0.000 1.167 407 I CB 0.483 38.480 38.000 -0.005 0.000 1.320 407 I HN 0.221 nan 8.210 nan 0.000 0.458 408 L N 6.440 127.597 121.223 -0.110 0.000 2.322 408 L HA 0.520 4.859 4.340 -0.002 0.000 0.279 408 L C 0.309 177.240 176.870 0.101 0.000 1.036 408 L CA -0.277 54.510 54.840 -0.089 0.000 0.807 408 L CB 1.202 42.989 42.059 -0.454 0.000 1.226 408 L HN 0.536 nan 8.230 nan 0.000 0.433 409 R N 2.262 122.761 120.500 -0.003 0.000 2.500 409 R HA 0.706 5.045 4.340 -0.002 0.000 0.277 409 R C -1.380 175.007 176.300 0.146 0.000 1.026 409 R CA -0.352 55.662 56.100 -0.144 0.000 1.058 409 R CB 1.006 30.896 30.300 -0.683 0.000 1.078 409 R HN 0.604 nan 8.270 nan 0.000 0.509 410 F N 0.365 120.284 119.950 -0.052 0.000 2.713 410 F HA 0.404 4.930 4.527 -0.002 0.000 0.311 410 F C -0.532 175.264 175.800 -0.006 0.000 1.141 410 F CA -0.951 57.048 58.000 -0.002 0.000 0.939 410 F CB 1.447 40.474 39.000 0.044 0.000 1.325 410 F HN 0.539 nan 8.300 nan 0.000 0.453 411 K N 0.115 120.547 120.400 0.054 0.000 2.448 411 K HA 0.215 4.533 4.320 -0.002 0.000 0.220 411 K C 0.269 176.957 176.600 0.145 0.000 1.259 411 K CA 0.803 57.063 56.287 -0.046 0.000 0.810 411 K CB 0.411 32.906 32.500 -0.008 0.000 1.540 411 K HN 0.916 nan 8.250 nan 0.000 0.434 412 T N -0.836 113.845 114.554 0.212 0.000 2.904 412 T HA 0.114 4.463 4.350 -0.002 0.000 0.290 412 T C 1.216 176.107 174.700 0.317 0.000 1.018 412 T CA -0.535 61.695 62.100 0.216 0.000 1.075 412 T CB 1.238 70.180 68.868 0.122 0.000 0.986 412 T HN 0.305 nan 8.240 nan 0.000 0.523 413 M N 0.916 120.681 119.600 0.276 0.000 2.077 413 M HA -0.087 4.392 4.480 -0.002 0.000 0.261 413 M C 1.495 177.866 176.300 0.119 0.000 1.070 413 M CA 1.828 57.292 55.300 0.273 0.000 1.125 413 M CB -0.480 32.230 32.600 0.183 0.000 1.339 413 M HN 0.718 nan 8.290 nan 0.000 0.409 414 D N 0.430 120.876 120.400 0.076 0.000 2.315 414 D HA -0.217 4.422 4.640 -0.002 0.000 0.211 414 D C 1.633 177.937 176.300 0.008 0.000 0.977 414 D CA 1.201 55.218 54.000 0.027 0.000 0.894 414 D CB -0.211 40.602 40.800 0.023 0.000 0.910 414 D HN 0.633 nan 8.370 nan 0.000 0.490 415 E N 0.602 120.823 120.200 0.036 0.000 2.012 415 E HA -0.134 4.214 4.350 -0.002 0.000 0.192 415 E C 2.384 178.926 176.600 -0.097 0.000 0.977 415 E CA 0.998 57.405 56.400 0.011 0.000 0.832 415 E CB 0.179 29.935 29.700 0.093 0.000 0.790 415 E HN 0.042 nan 8.360 nan 0.000 0.466 416 V N 1.160 120.966 119.914 -0.180 0.000 2.313 416 V HA -0.325 3.794 4.120 -0.002 0.000 0.253 416 V C 2.535 178.372 176.094 -0.427 0.000 1.070 416 V CA 2.038 64.025 62.300 -0.522 0.000 1.057 416 V CB -1.087 30.166 31.823 -0.949 0.000 0.653 416 V HN 0.332 nan 8.190 nan 0.000 0.450 417 I N -0.069 120.363 120.570 -0.230 0.000 2.264 417 I HA -0.219 3.950 4.170 -0.002 0.000 0.248 417 I C 2.716 178.735 176.117 -0.164 0.000 1.111 417 I CA 1.868 63.067 61.300 -0.167 0.000 1.382 417 I CB -0.399 37.556 38.000 -0.074 0.000 1.060 417 I HN 0.334 nan 8.210 nan 0.000 0.418 418 E N 0.550 120.666 120.200 -0.140 0.000 2.076 418 E HA -0.061 4.288 4.350 -0.002 0.000 0.190 418 E C 2.283 178.800 176.600 -0.138 0.000 0.979 418 E CA 0.794 57.128 56.400 -0.110 0.000 0.807 418 E CB -0.030 29.630 29.700 -0.068 0.000 0.761 418 E HN 0.278 nan 8.360 nan 0.000 0.454 419 R N 0.083 120.464 120.500 -0.198 0.000 2.062 419 R HA -0.009 4.329 4.340 -0.002 0.000 0.231 419 R C 2.291 178.423 176.300 -0.280 0.000 1.136 419 R CA 1.201 57.176 56.100 -0.208 0.000 0.948 419 R CB -0.515 29.645 30.300 -0.234 0.000 0.845 419 R HN 0.149 nan 8.270 nan 0.000 0.430 420 A N 1.933 124.454 122.820 -0.498 0.000 1.917 420 A HA -0.239 4.080 4.320 -0.002 0.000 0.219 420 A C 1.911 179.390 177.584 -0.175 0.000 1.182 420 A CA 1.694 53.482 52.037 -0.416 0.000 0.633 420 A CB -0.577 18.143 19.000 -0.466 0.000 0.819 420 A HN 0.284 nan 8.150 nan 0.000 0.448 421 N N 0.513 119.121 118.700 -0.154 0.000 2.039 421 N HA -0.124 4.615 4.740 -0.002 0.000 0.193 421 N C 0.602 176.076 175.510 -0.060 0.000 1.044 421 N CA 0.604 53.598 53.050 -0.094 0.000 0.847 421 N CB -0.748 37.684 38.487 -0.091 0.000 1.030 421 N HN 0.442 nan 8.380 nan 0.000 0.422 422 N N 1.724 120.391 118.700 -0.055 0.000 2.202 422 N HA -0.126 4.613 4.740 -0.002 0.000 0.283 422 N C -0.958 174.552 175.510 -0.001 0.000 1.391 422 N CA 0.697 53.732 53.050 -0.024 0.000 0.910 422 N CB -0.134 38.343 38.487 -0.016 0.000 1.267 422 N HN 0.132 nan 8.380 nan 0.000 0.493 423 S N 2.509 118.212 115.700 0.005 0.000 2.543 423 S HA 0.187 4.656 4.470 -0.002 0.000 0.274 423 S C -1.992 172.640 174.600 0.053 0.000 1.149 423 S CA -0.916 57.303 58.200 0.032 0.000 0.866 423 S CB 0.935 64.152 63.200 0.028 0.000 1.111 423 S HN 0.339 nan 8.310 nan 0.000 0.457 424 D N 3.076 123.540 120.400 0.107 0.000 2.456 424 D HA 0.392 5.031 4.640 -0.002 0.000 0.219 424 D C -0.688 175.813 176.300 0.334 0.000 1.126 424 D CA 0.189 54.318 54.000 0.215 0.000 0.890 424 D CB -0.160 40.750 40.800 0.184 0.000 1.025 424 D HN 0.501 nan 8.370 nan 0.000 0.511 425 F N 1.237 121.192 119.950 0.008 0.000 2.057 425 F HA -0.101 4.424 4.527 -0.002 0.000 0.347 425 F C 0.955 176.765 175.800 0.017 0.000 1.113 425 F CA 1.025 59.030 58.000 0.009 0.000 1.166 425 F CB -1.004 38.002 39.000 0.010 0.000 1.782 425 F HN 0.674 nan 8.300 nan 0.000 0.743 426 G N 2.309 111.157 108.800 0.080 0.000 3.444 426 G HA2 0.426 4.385 3.960 -0.002 0.000 0.685 426 G HA3 0.426 4.385 3.960 -0.002 0.000 0.685 426 G C -1.923 173.006 174.900 0.048 0.000 1.145 426 G CA -0.583 44.561 45.100 0.072 0.000 0.973 426 G HN 1.518 nan 8.290 nan 0.000 0.525 427 L N 2.176 123.417 121.223 0.030 0.000 2.549 427 L HA 0.861 5.200 4.340 -0.002 0.000 0.259 427 L C -1.031 175.871 176.870 0.052 0.000 0.934 427 L CA -0.779 54.084 54.840 0.038 0.000 0.865 427 L CB 2.406 44.468 42.059 0.004 0.000 1.352 427 L HN 0.949 nan 8.230 nan 0.000 0.410 428 V N 3.122 123.100 119.914 0.107 0.000 2.808 428 V HA 0.986 5.105 4.120 -0.002 0.000 0.308 428 V C -0.628 175.602 176.094 0.227 0.000 1.099 428 V CA -0.013 62.389 62.300 0.170 0.000 0.920 428 V CB 1.821 33.795 31.823 0.252 0.000 1.014 428 V HN 1.035 nan 8.190 nan 0.000 0.425 429 A N 3.394 126.357 122.820 0.238 0.000 2.498 429 A HA 1.020 5.338 4.320 -0.002 0.000 0.298 429 A C -0.656 177.132 177.584 0.341 0.000 1.075 429 A CA -0.262 51.910 52.037 0.224 0.000 0.714 429 A CB 2.036 21.084 19.000 0.081 0.000 1.299 429 A HN 1.605 nan 8.150 nan 0.000 0.407 430 A N 1.087 124.040 122.820 0.222 0.000 2.335 430 A HA 0.671 4.990 4.320 -0.002 0.000 0.304 430 A C -1.062 176.536 177.584 0.024 0.000 1.118 430 A CA -0.422 51.710 52.037 0.158 0.000 0.757 430 A CB 1.049 20.021 19.000 -0.048 0.000 1.188 430 A HN 1.242 nan 8.150 nan 0.000 0.460 431 V N 2.593 122.474 119.914 -0.055 0.000 2.495 431 V HA 0.525 4.643 4.120 -0.002 0.000 0.298 431 V C -1.153 174.868 176.094 -0.121 0.000 1.031 431 V CA -0.323 61.989 62.300 0.021 0.000 0.871 431 V CB 1.251 33.139 31.823 0.109 0.000 0.988 431 V HN 0.719 nan 8.190 nan 0.000 0.432 432 F N 2.673 122.749 119.950 0.209 0.000 2.402 432 F HA 0.795 5.320 4.527 -0.002 0.000 0.355 432 F C 0.544 176.532 175.800 0.314 0.000 1.123 432 F CA -0.155 57.994 58.000 0.249 0.000 1.021 432 F CB 2.060 41.197 39.000 0.229 0.000 1.160 432 F HN 0.489 nan 8.300 nan 0.000 0.451 433 T N 1.648 116.424 114.554 0.370 0.000 2.770 433 T HA 0.191 4.540 4.350 -0.002 0.000 0.323 433 T C -0.176 174.626 174.700 0.169 0.000 1.683 433 T CA -0.992 61.279 62.100 0.286 0.000 1.024 433 T CB 1.598 70.601 68.868 0.224 0.000 1.557 433 T HN 0.409 nan 8.240 nan 0.000 0.494 434 N N 0.625 119.394 118.700 0.115 0.000 2.177 434 N HA 0.075 4.814 4.740 -0.002 0.000 0.218 434 N C -0.798 174.731 175.510 0.031 0.000 1.182 434 N CA -0.063 53.030 53.050 0.071 0.000 0.882 434 N CB 0.739 39.268 38.487 0.070 0.000 1.052 434 N HN 0.573 nan 8.380 nan 0.000 0.519 435 D N 1.545 121.951 120.400 0.009 0.000 2.411 435 D HA 0.193 4.831 4.640 -0.002 0.000 0.225 435 D C 1.519 177.799 176.300 -0.033 0.000 1.156 435 D CA -0.403 53.578 54.000 -0.031 0.000 0.874 435 D CB 0.638 41.384 40.800 -0.090 0.000 1.034 435 D HN 0.054 nan 8.370 nan 0.000 0.502 436 I N 2.776 123.334 120.570 -0.020 0.000 2.236 436 I HA -0.364 3.805 4.170 -0.002 0.000 0.249 436 I C 1.968 178.066 176.117 -0.031 0.000 1.102 436 I CA 0.738 62.027 61.300 -0.018 0.000 1.365 436 I CB -0.261 37.731 38.000 -0.014 0.000 1.051 436 I HN 0.376 nan 8.210 nan 0.000 0.420 437 N N 1.428 120.102 118.700 -0.044 0.000 2.062 437 N HA -0.141 4.598 4.740 -0.002 0.000 0.191 437 N C 1.812 177.278 175.510 -0.072 0.000 1.042 437 N CA 1.351 54.369 53.050 -0.052 0.000 0.845 437 N CB -0.279 38.175 38.487 -0.055 0.000 1.024 437 N HN 0.457 nan 8.380 nan 0.000 0.424 438 K N 1.257 121.583 120.400 -0.122 0.000 2.026 438 K HA -0.012 4.307 4.320 -0.002 0.000 0.208 438 K C 2.228 178.779 176.600 -0.081 0.000 1.048 438 K CA 1.220 57.398 56.287 -0.182 0.000 0.929 438 K CB -0.213 32.019 32.500 -0.447 0.000 0.713 438 K HN 0.115 nan 8.250 nan 0.000 0.439 439 A N 1.659 124.452 122.820 -0.046 0.000 1.917 439 A HA -0.177 4.142 4.320 -0.002 0.000 0.219 439 A C 2.176 179.758 177.584 -0.004 0.000 1.182 439 A CA 1.441 53.482 52.037 0.007 0.000 0.633 439 A CB -0.684 18.323 19.000 0.011 0.000 0.819 439 A HN 0.151 nan 8.150 nan 0.000 0.448 440 L N -1.407 119.804 121.223 -0.020 0.000 1.973 440 L HA -0.188 4.151 4.340 -0.002 0.000 0.208 440 L C 2.940 179.796 176.870 -0.023 0.000 1.073 440 L CA 1.630 56.456 54.840 -0.022 0.000 0.746 440 L CB -0.558 41.486 42.059 -0.025 0.000 0.891 440 L HN 0.389 nan 8.230 nan 0.000 0.433 441 M N -0.725 118.860 119.600 -0.026 0.000 2.089 441 M HA -0.269 4.209 4.480 -0.002 0.000 0.257 441 M C 2.264 178.555 176.300 -0.016 0.000 1.071 441 M CA 1.797 57.083 55.300 -0.023 0.000 1.096 441 M CB -0.688 31.897 32.600 -0.025 0.000 1.330 441 M HN 0.126 nan 8.290 nan 0.000 0.403 442 V N 0.344 120.258 119.914 -0.000 0.000 2.223 442 V HA -0.277 3.841 4.120 -0.002 0.000 0.244 442 V C 2.536 178.623 176.094 -0.012 0.000 1.045 442 V CA 2.297 64.604 62.300 0.011 0.000 1.000 442 V CB -1.272 30.593 31.823 0.070 0.000 0.635 442 V HN 0.666 nan 8.190 nan 0.000 0.445 443 S N 1.299 116.992 115.700 -0.012 0.000 2.440 443 S HA -0.209 4.259 4.470 -0.002 0.000 0.240 443 S C 1.893 176.464 174.600 -0.048 0.000 1.014 443 S CA 1.894 60.074 58.200 -0.033 0.000 0.980 443 S CB -0.632 62.546 63.200 -0.037 0.000 0.775 443 S HN 0.777 nan 8.310 nan 0.000 0.499 444 S N 0.500 116.175 115.700 -0.042 0.000 2.503 444 S HA 0.544 5.012 4.470 -0.002 0.000 0.217 444 S C 1.783 176.353 174.600 -0.049 0.000 0.999 444 S CA 0.142 58.313 58.200 -0.048 0.000 0.914 444 S CB -0.140 63.036 63.200 -0.041 0.000 0.782 444 S HN 0.718 nan 8.310 nan 0.000 0.520 445 A N 1.692 124.485 122.820 -0.044 0.000 1.997 445 A HA 0.462 4.781 4.320 -0.002 0.000 0.212 445 A C 1.087 178.636 177.584 -0.058 0.000 1.178 445 A CA 0.170 52.178 52.037 -0.048 0.000 0.698 445 A CB -0.315 18.661 19.000 -0.041 0.000 0.842 445 A HN 0.444 nan 8.150 nan 0.000 0.458 446 M N 1.785 121.350 119.600 -0.058 0.000 2.356 446 M HA 0.035 4.514 4.480 -0.002 0.000 0.348 446 M C -0.202 176.057 176.300 -0.069 0.000 1.595 446 M CA 0.362 55.624 55.300 -0.063 0.000 1.095 446 M CB -0.162 32.407 32.600 -0.052 0.000 1.963 446 M HN 0.349 nan 8.290 nan 0.000 0.459 447 Q N 2.323 122.078 119.800 -0.074 0.000 3.223 447 Q HA 0.396 4.734 4.340 -0.002 0.000 0.299 447 Q C -0.128 175.825 176.000 -0.079 0.000 1.385 447 Q CA -0.236 55.516 55.803 -0.084 0.000 0.942 447 Q CB -0.193 28.487 28.738 -0.096 0.000 1.748 447 Q HN 0.673 nan 8.270 nan 0.000 0.523 448 A N -0.580 122.196 122.820 -0.073 0.000 2.356 448 A HA 0.672 4.991 4.320 -0.002 0.000 0.323 448 A C 1.038 178.569 177.584 -0.088 0.000 1.119 448 A CA -0.420 51.580 52.037 -0.061 0.000 0.790 448 A CB 1.251 20.229 19.000 -0.038 0.000 1.273 448 A HN 0.510 nan 8.150 nan 0.000 0.452 449 G N -0.587 108.165 108.800 -0.080 0.000 2.511 449 G HA2 0.343 4.301 3.960 -0.002 0.000 0.217 449 G HA3 0.343 4.301 3.960 -0.002 0.000 0.217 449 G C 0.642 175.450 174.900 -0.153 0.000 1.133 449 G CA 1.427 46.462 45.100 -0.108 0.000 0.792 449 G HN 1.382 nan 8.290 nan 0.000 0.539 450 T N -1.668 112.788 114.554 -0.163 0.000 2.932 450 T HA 0.547 4.895 4.350 -0.002 0.000 0.318 450 T C -1.838 172.658 174.700 -0.340 0.000 1.265 450 T CA -0.566 61.350 62.100 -0.308 0.000 1.036 450 T CB 2.195 70.842 68.868 -0.368 0.000 1.209 450 T HN 0.200 nan 8.240 nan 0.000 0.484 451 V N 3.153 122.769 119.914 -0.497 0.000 2.760 451 V HA 0.671 4.790 4.120 -0.002 0.000 0.309 451 V C -1.350 174.472 176.094 -0.454 0.000 1.077 451 V CA -1.026 61.068 62.300 -0.342 0.000 0.910 451 V CB 1.854 33.585 31.823 -0.153 0.000 1.008 451 V HN 0.964 nan 8.190 nan 0.000 0.424 452 W N 4.125 125.433 121.300 0.013 0.000 2.573 452 W HA 0.810 5.468 4.660 -0.002 0.000 0.326 452 W C -0.431 176.030 176.519 -0.096 0.000 1.049 452 W CA -0.662 56.677 57.345 -0.010 0.000 1.220 452 W CB 1.135 30.633 29.460 0.064 0.000 1.373 452 W HN 0.315 nan 8.180 nan 0.000 0.507 453 I N 4.585 125.213 120.570 0.096 0.000 2.355 453 I HA 0.175 4.344 4.170 -0.002 0.000 0.288 453 I C -0.154 175.916 176.117 -0.078 0.000 0.999 453 I CA -0.820 60.465 61.300 -0.026 0.000 1.163 453 I CB 1.061 39.063 38.000 0.004 0.000 1.316 453 I HN 0.566 nan 8.210 nan 0.000 0.454 454 N N 4.031 122.532 118.700 -0.331 0.000 2.747 454 N HA -0.167 4.572 4.740 -0.002 0.000 0.249 454 N C -0.575 174.956 175.510 0.034 0.000 1.107 454 N CA 1.099 54.025 53.050 -0.206 0.000 0.707 454 N CB -1.173 37.375 38.487 0.102 0.000 1.054 454 N HN 0.865 nan 8.380 nan 0.000 0.555 455 C N -4.010 115.189 119.300 -0.170 0.000 3.260 455 C HA 0.790 5.249 4.460 -0.002 0.000 0.366 455 C C -1.424 173.644 174.990 0.130 0.000 1.537 455 C CA -1.200 57.909 59.018 0.152 0.000 1.160 455 C CB 1.681 29.544 27.740 0.205 0.000 1.760 455 C HN 0.420 nan 8.230 nan 0.000 0.432 456 Y N 2.520 122.694 120.300 -0.211 0.000 2.125 456 Y HA 0.396 4.945 4.550 -0.002 0.000 0.312 456 Y C -0.868 174.637 175.900 -0.658 0.000 1.227 456 Y CA -0.199 57.573 58.100 -0.546 0.000 1.527 456 Y CB 0.266 38.639 38.460 -0.144 0.000 1.308 456 Y HN 1.074 nan 8.280 nan 0.000 0.375 457 N N 4.008 121.873 118.700 -1.392 0.000 2.926 457 N HA 0.573 5.312 4.740 -0.002 0.000 0.201 457 N C -0.604 174.458 175.510 -0.747 0.000 1.419 457 N CA -0.451 52.048 53.050 -0.918 0.000 0.838 457 N CB 0.401 38.578 38.487 -0.517 0.000 1.534 457 N HN 0.548 nan 8.380 nan 0.000 0.569 479 E N 0.151 120.427 120.200 0.127 0.000 2.236 479 E HA -0.168 4.181 4.350 -0.002 0.000 0.205 479 E C 1.846 178.198 176.600 -0.413 0.000 1.028 479 E CA 2.324 58.516 56.400 -0.347 0.000 0.827 479 E CB -0.400 29.089 29.700 -0.351 0.000 0.735 479 E HN 0.382 nan 8.360 nan 0.000 0.470 480 F N -0.795 119.141 119.950 -0.023 0.000 2.558 480 F HA 0.231 4.757 4.527 -0.002 0.000 0.298 480 F C 2.278 178.073 175.800 -0.008 0.000 1.119 480 F CA 0.746 58.731 58.000 -0.026 0.000 1.451 480 F CB -0.436 38.555 39.000 -0.015 0.000 1.091 480 F HN 0.155 nan 8.300 nan 0.000 0.563 481 G N 0.893 109.811 108.800 0.197 0.000 2.403 481 G HA2 -0.139 3.820 3.960 -0.002 0.000 0.216 481 G HA3 -0.139 3.820 3.960 -0.002 0.000 0.216 481 G C 1.286 176.287 174.900 0.168 0.000 1.154 481 G CA 0.697 45.915 45.100 0.196 0.000 0.784 481 G HN 0.370 nan 8.290 nan 0.000 0.538 482 L N -1.437 119.845 121.223 0.099 0.000 2.715 482 L HA 0.511 4.849 4.340 -0.002 0.000 0.238 482 L C 1.717 178.599 176.870 0.019 0.000 1.212 482 L CA -0.110 54.773 54.840 0.071 0.000 1.017 482 L CB 0.013 42.052 42.059 -0.033 0.000 1.269 482 L HN -0.023 nan 8.230 nan 0.000 0.452 483 R N 0.534 121.045 120.500 0.017 0.000 2.195 483 R HA 0.059 4.398 4.340 -0.002 0.000 0.197 483 R C 1.668 177.952 176.300 -0.026 0.000 0.990 483 R CA 0.870 56.977 56.100 0.011 0.000 1.048 483 R CB 0.130 30.447 30.300 0.028 0.000 0.997 483 R HN 0.689 nan 8.270 nan 0.000 0.502 484 E N -0.067 120.069 120.200 -0.107 0.000 2.418 484 E HA -0.135 4.214 4.350 -0.002 0.000 0.197 484 E C 0.395 176.734 176.600 -0.434 0.000 1.026 484 E CA 0.912 57.143 56.400 -0.281 0.000 0.862 484 E CB 0.023 29.481 29.700 -0.404 0.000 0.799 484 E HN 0.340 nan 8.360 nan 0.000 0.518 485 Y N 1.364 121.653 120.300 -0.019 0.000 2.524 485 Y HA 0.270 4.819 4.550 -0.002 0.000 0.266 485 Y C 0.000 175.897 175.900 -0.005 0.000 1.180 485 Y CA -0.253 57.832 58.100 -0.025 0.000 1.244 485 Y CB 0.625 39.062 38.460 -0.039 0.000 1.125 485 Y HN 0.056 nan 8.280 nan 0.000 0.524 486 S N -0.738 115.011 115.700 0.081 0.000 2.541 486 S HA 0.636 5.105 4.470 -0.002 0.000 0.271 486 S C -0.923 173.685 174.600 0.014 0.000 1.133 486 S CA -1.163 57.085 58.200 0.080 0.000 0.876 486 S CB 2.488 65.767 63.200 0.133 0.000 1.105 486 S HN 0.286 nan 8.310 nan 0.000 0.470 487 E N 0.391 120.586 120.200 -0.008 0.000 2.281 487 E HA 0.751 5.099 4.350 -0.002 0.000 0.262 487 E C -1.255 175.256 176.600 -0.148 0.000 0.933 487 E CA -1.260 55.099 56.400 -0.068 0.000 0.809 487 E CB 1.520 31.197 29.700 -0.037 0.000 1.242 487 E HN 0.368 nan 8.360 nan 0.000 0.418 488 V N 1.008 120.804 119.914 -0.196 0.000 2.481 488 V HA 0.323 4.442 4.120 -0.002 0.000 0.286 488 V C -0.190 175.820 176.094 -0.140 0.000 1.042 488 V CA -0.601 61.545 62.300 -0.257 0.000 0.928 488 V CB 1.196 32.848 31.823 -0.285 0.000 0.986 488 V HN 0.645 nan 8.190 nan 0.000 0.462 489 K N 2.836 123.169 120.400 -0.112 0.000 2.535 489 K HA 0.514 4.833 4.320 -0.002 0.000 0.253 489 K C -0.511 176.019 176.600 -0.116 0.000 0.953 489 K CA -0.317 55.921 56.287 -0.083 0.000 0.863 489 K CB 1.555 34.035 32.500 -0.032 0.000 1.111 489 K HN 0.828 nan 8.250 nan 0.000 0.431 490 T N 1.633 116.087 114.554 -0.165 0.000 2.794 490 T HA 0.476 4.824 4.350 -0.002 0.000 0.280 490 T C -0.679 173.805 174.700 -0.361 0.000 0.987 490 T CA -0.539 61.408 62.100 -0.255 0.000 0.993 490 T CB 1.025 69.770 68.868 -0.206 0.000 0.939 490 T HN 0.190 nan 8.240 nan 0.000 0.449 491 V N 4.249 123.758 119.914 -0.674 0.000 2.628 491 V HA 0.802 4.921 4.120 -0.002 0.000 0.306 491 V C 0.385 176.042 176.094 -0.729 0.000 1.045 491 V CA -0.783 61.074 62.300 -0.738 0.000 0.905 491 V CB 1.849 33.014 31.823 -1.095 0.000 0.997 491 V HN 1.123 nan 8.190 nan 0.000 0.436 492 T N 3.153 117.480 114.554 -0.378 0.000 3.011 492 T HA 0.671 5.020 4.350 -0.002 0.000 0.303 492 T C -1.188 173.493 174.700 -0.031 0.000 0.997 492 T CA -0.392 61.571 62.100 -0.229 0.000 1.007 492 T CB 1.383 70.111 68.868 -0.233 0.000 1.017 492 T HN 0.388 nan 8.240 nan 0.000 0.443 493 V N 4.416 124.415 119.914 0.142 0.000 2.513 493 V HA 0.601 4.720 4.120 -0.002 0.000 0.299 493 V C 0.247 176.536 176.094 0.325 0.000 1.035 493 V CA -1.115 61.328 62.300 0.238 0.000 0.889 493 V CB 1.629 33.640 31.823 0.313 0.000 0.988 493 V HN 0.974 nan 8.190 nan 0.000 0.440 494 K N 5.249 125.818 120.400 0.282 0.000 2.298 494 K HA 0.572 4.891 4.320 -0.002 0.000 0.280 494 K C -0.621 176.044 176.600 0.108 0.000 1.032 494 K CA -0.028 56.403 56.287 0.240 0.000 0.958 494 K CB 0.446 33.060 32.500 0.190 0.000 0.978 494 K HN 0.729 nan 8.250 nan 0.000 0.472 495 I N 1.544 122.125 120.570 0.018 0.000 2.769 495 I HA 0.451 4.620 4.170 -0.002 0.000 0.298 495 I C -2.161 173.925 176.117 -0.051 0.000 1.128 495 I CA -2.765 58.537 61.300 0.002 0.000 1.031 495 I CB 2.180 40.194 38.000 0.024 0.000 1.235 495 I HN 0.428 nan 8.210 nan 0.000 0.423 496 P HA -0.214 nan 4.420 nan 0.000 0.212 496 P C -0.338 176.930 177.300 -0.054 0.000 1.174 496 P CA 1.612 64.687 63.100 -0.042 0.000 0.934 496 P CB 0.120 31.803 31.700 -0.028 0.000 0.791 497 Q N -1.103 118.670 119.800 -0.045 0.000 2.263 497 Q HA 0.250 4.589 4.340 -0.002 0.000 0.266 497 Q C -0.992 174.988 176.000 -0.034 0.000 1.002 497 Q CA -0.853 54.924 55.803 -0.043 0.000 0.790 497 Q CB 1.323 30.042 28.738 -0.032 0.000 1.272 497 Q HN -0.173 nan 8.270 nan 0.000 0.435 498 K N 3.602 123.983 120.400 -0.031 0.000 2.276 498 K HA 0.320 4.638 4.320 -0.002 0.000 0.283 498 K C -1.030 175.570 176.600 0.001 0.000 1.044 498 K CA -0.166 56.117 56.287 -0.006 0.000 0.944 498 K CB 0.670 33.176 32.500 0.011 0.000 1.012 498 K HN 0.629 nan 8.250 nan 0.000 0.472 499 N N 1.527 120.230 118.700 0.005 0.000 2.235 499 N HA 0.136 4.875 4.740 -0.002 0.000 0.293 499 N C -0.901 174.619 175.510 0.017 0.000 1.083 499 N CA -0.530 52.523 53.050 0.006 0.000 0.801 499 N CB 2.079 40.563 38.487 -0.006 0.000 1.559 499 N HN 0.720 nan 8.380 nan 0.000 0.472 500 S N 0.000 115.712 115.700 0.020 0.000 2.498 500 S HA 0.000 4.469 4.470 -0.002 0.000 0.327 500 S CA 0.000 58.217 58.200 0.028 0.000 1.107 500 S CB 0.000 63.216 63.200 0.026 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517