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 1vix_1_B DATA FIRST_RESID -1 DATA SEQUENCE MSLDKLLERF LNYVSLDTQS KAGVRQVPST EGQWKLLHLL KEQLEEMGLI DATA SEQUENCE NVTLSEKGTL MATLPANVPG DIPAIGFISH VDTSPDCSGK NVNPQIVENY DATA SEQUENCE RGGDIALGIG DEVLSPVMFP VLHQLLGQTL ITTDGKTLLG ADDKAGIAEI DATA SEQUENCE MTALAVLQQK KIPHGDIRVA FTPDEEVGKG AKHFDVDAFD ARWAYTVDGG DATA SEQUENCE GVGELEFENF NAASVNIKIV GNNVHPGTAK GVMVNALSLA ARIHAEVPAD DATA SEQUENCE ESPEMTEGYE GFYHLASMKG TVERADMHYI IRDFDRKQFE ARKRKMMEIA DATA SEQUENCE KKVGKGLHPD CYIELVIEDS YYNMREKVVE HPHILDIAQQ AMRDCDIEPE DATA SEQUENCE LKPIRGGTDG AQLSFMGLPC PNLFTGGYNY HGKHEFVTLE GMEKAVQVIV DATA SEQUENCE RIAELTAQRK 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 -1 M HA 0.000 nan 4.480 nan 0.000 0.227 -1 M C 0.000 176.299 176.300 -0.002 0.000 1.140 -1 M CA 0.000 55.297 55.300 -0.005 0.000 0.988 -1 M CB 0.000 32.595 32.600 -0.009 0.000 1.302 0 S N 2.125 117.822 115.700 -0.004 0.000 2.620 0 S HA 0.383 4.852 4.470 -0.000 0.000 0.244 0 S C 0.498 175.097 174.600 -0.002 0.000 1.192 0 S CA -0.742 57.457 58.200 -0.002 0.000 1.148 0 S CB 0.865 64.064 63.200 -0.002 0.000 1.106 0 S HN 0.696 nan 8.310 nan 0.000 0.474 1 L N 1.379 122.604 121.223 0.002 0.000 2.127 1 L HA -0.186 4.154 4.340 -0.000 0.000 0.211 1 L C 1.598 178.472 176.870 0.007 0.000 1.089 1 L CA 1.611 56.453 54.840 0.004 0.000 0.757 1 L CB -0.402 41.662 42.059 0.009 0.000 0.899 1 L HN 0.545 nan 8.230 nan 0.000 0.434 2 D N -0.345 120.059 120.400 0.006 0.000 2.097 2 D HA -0.175 4.464 4.640 -0.000 0.000 0.195 2 D C 2.151 178.451 176.300 0.000 0.000 0.989 2 D CA 0.938 54.941 54.000 0.006 0.000 0.827 2 D CB 0.059 40.861 40.800 0.004 0.000 0.966 2 D HN 0.093 nan 8.370 nan 0.000 0.456 3 K N 0.339 120.736 120.400 -0.006 0.000 2.148 3 K HA -0.075 4.245 4.320 -0.000 0.000 0.204 3 K C 2.092 178.681 176.600 -0.018 0.000 1.050 3 K CA 0.356 56.634 56.287 -0.015 0.000 0.942 3 K CB -0.425 32.067 32.500 -0.014 0.000 0.724 3 K HN 0.206 nan 8.250 nan 0.000 0.446 4 L N 1.181 122.399 121.223 -0.008 0.000 2.027 4 L HA -0.102 4.238 4.340 -0.000 0.000 0.206 4 L C 2.212 179.097 176.870 0.025 0.000 1.074 4 L CA 1.255 56.093 54.840 -0.003 0.000 0.745 4 L CB -0.715 41.337 42.059 -0.012 0.000 0.898 4 L HN 0.046 nan 8.230 nan 0.000 0.433 5 L N -0.031 121.216 121.223 0.038 0.000 2.012 5 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 5 L C 2.517 179.432 176.870 0.075 0.000 1.073 5 L CA 2.275 57.174 54.840 0.097 0.000 0.748 5 L CB -0.874 41.230 42.059 0.074 0.000 0.891 5 L HN 0.583 nan 8.230 nan 0.000 0.431 6 E N -0.499 119.702 120.200 0.003 0.000 2.051 6 E HA -0.315 4.035 4.350 -0.000 0.000 0.192 6 E C 2.432 178.954 176.600 -0.130 0.000 0.991 6 E CA 1.325 57.694 56.400 -0.051 0.000 0.799 6 E CB -0.226 29.444 29.700 -0.050 0.000 0.748 6 E HN 0.498 nan 8.360 nan 0.000 0.449 7 R N -0.183 120.224 120.500 -0.155 0.000 2.094 7 R HA -0.223 4.117 4.340 -0.000 0.000 0.239 7 R C 2.378 178.359 176.300 -0.533 0.000 1.137 7 R CA 2.041 57.929 56.100 -0.355 0.000 0.943 7 R CB -0.671 29.489 30.300 -0.234 0.000 0.850 7 R HN 0.317 nan 8.270 nan 0.000 0.433 8 F N 1.134 120.884 119.950 -0.332 0.000 2.095 8 F HA -0.200 4.327 4.527 -0.000 0.000 0.298 8 F C 1.907 177.619 175.800 -0.146 0.000 1.104 8 F CA 1.520 59.410 58.000 -0.183 0.000 1.232 8 F CB -0.129 38.834 39.000 -0.062 0.000 0.987 8 F HN 0.037 nan 8.300 nan 0.000 0.475 9 L N 0.281 121.315 121.223 -0.314 0.000 2.131 9 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 9 L C 2.141 178.832 176.870 -0.298 0.000 1.092 9 L CA 0.967 55.591 54.840 -0.359 0.000 0.759 9 L CB -0.887 41.079 42.059 -0.155 0.000 0.903 9 L HN 0.219 nan 8.230 nan 0.000 0.435 10 N N -0.299 118.227 118.700 -0.289 0.000 2.120 10 N HA -0.187 4.553 4.740 -0.000 0.000 0.188 10 N C 1.837 177.265 175.510 -0.137 0.000 1.024 10 N CA 1.430 54.343 53.050 -0.227 0.000 0.852 10 N CB -0.291 38.035 38.487 -0.268 0.000 1.003 10 N HN 0.427 nan 8.380 nan 0.000 0.424 11 Y N 0.131 120.332 120.300 -0.166 0.000 2.200 11 Y HA -0.083 4.467 4.550 -0.000 0.000 0.290 11 Y C 2.427 178.204 175.900 -0.206 0.000 1.137 11 Y CA 0.226 58.228 58.100 -0.164 0.000 1.163 11 Y CB -0.228 38.146 38.460 -0.143 0.000 0.988 11 Y HN -0.164 nan 8.280 nan 0.000 0.518 12 V N 0.178 119.975 119.914 -0.195 0.000 2.469 12 V HA -0.311 3.809 4.120 -0.000 0.000 0.251 12 V C 2.417 178.420 176.094 -0.151 0.000 1.064 12 V CA 2.182 64.320 62.300 -0.270 0.000 1.066 12 V CB -0.750 30.733 31.823 -0.568 0.000 0.667 12 V HN 0.558 nan 8.190 nan 0.000 0.461 13 S N -0.801 114.821 115.700 -0.129 0.000 2.474 13 S HA 0.022 4.492 4.470 -0.000 0.000 0.235 13 S C 0.753 175.328 174.600 -0.041 0.000 0.997 13 S CA 0.453 58.605 58.200 -0.080 0.000 0.949 13 S CB -0.520 62.634 63.200 -0.076 0.000 0.766 13 S HN 0.477 nan 8.310 nan 0.000 0.517 14 L N 2.677 123.885 121.223 -0.026 0.000 2.281 14 L HA 0.361 4.701 4.340 -0.000 0.000 0.285 14 L C -0.158 176.706 176.870 -0.010 0.000 1.074 14 L CA -0.640 54.197 54.840 -0.005 0.000 0.817 14 L CB 0.762 42.830 42.059 0.015 0.000 1.168 14 L HN 0.112 nan 8.230 nan 0.000 0.434 15 D N 2.559 122.958 120.400 -0.002 0.000 2.349 15 D HA 0.013 4.653 4.640 -0.000 0.000 0.266 15 D C 0.678 176.981 176.300 0.005 0.000 1.293 15 D CA 0.045 54.045 54.000 0.001 0.000 0.926 15 D CB 0.690 41.494 40.800 0.006 0.000 1.090 15 D HN 0.586 nan 8.370 nan 0.000 0.502 16 T N 0.808 115.361 114.554 -0.003 0.000 3.415 16 T HA 0.129 4.479 4.350 -0.000 0.000 0.282 16 T C 0.382 175.079 174.700 -0.004 0.000 1.007 16 T CA -0.770 61.325 62.100 -0.009 0.000 0.958 16 T CB -0.095 68.756 68.868 -0.028 0.000 1.171 16 T HN 0.402 nan 8.240 nan 0.000 0.500 17 Q N 1.503 121.306 119.800 0.004 0.000 2.332 17 Q HA 0.377 4.717 4.340 -0.000 0.000 0.263 17 Q C -0.477 175.523 176.000 -0.000 0.000 0.979 17 Q CA -0.154 55.655 55.803 0.009 0.000 0.885 17 Q CB 0.752 29.498 28.738 0.014 0.000 1.218 17 Q HN 0.441 nan 8.270 nan 0.000 0.405 18 S N 2.841 118.538 115.700 -0.005 0.000 2.645 18 S HA 0.359 4.829 4.470 -0.000 0.000 0.266 18 S C -0.485 174.107 174.600 -0.013 0.000 1.258 18 S CA -0.548 57.641 58.200 -0.018 0.000 0.990 18 S CB 0.948 64.128 63.200 -0.034 0.000 0.967 18 S HN 0.562 nan 8.310 nan 0.000 0.556 19 K N 0.272 120.664 120.400 -0.014 0.000 2.535 19 K HA 0.605 4.925 4.320 -0.000 0.000 0.250 19 K C -0.770 175.822 176.600 -0.012 0.000 0.948 19 K CA -0.675 55.606 56.287 -0.009 0.000 0.796 19 K CB 1.404 33.905 32.500 0.001 0.000 1.216 19 K HN 0.698 nan 8.250 nan 0.000 0.432 20 A N 1.783 124.594 122.820 -0.015 0.000 2.346 20 A HA 0.524 4.843 4.320 -0.000 0.000 0.252 20 A C 1.022 178.601 177.584 -0.008 0.000 1.089 20 A CA 0.608 52.636 52.037 -0.016 0.000 0.797 20 A CB -0.249 18.739 19.000 -0.020 0.000 1.047 20 A HN 1.343 nan 8.150 nan 0.000 0.494 21 G N -1.211 107.585 108.800 -0.007 0.000 2.160 21 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.251 21 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.251 21 G C -0.040 174.863 174.900 0.006 0.000 1.008 21 G CA 0.267 45.366 45.100 -0.002 0.000 0.724 21 G HN 1.507 nan 8.290 nan 0.000 0.514 22 V N -0.854 119.066 119.914 0.009 0.000 2.384 22 V HA 0.766 4.886 4.120 -0.000 0.000 0.287 22 V C 1.424 177.534 176.094 0.026 0.000 1.020 22 V CA 0.300 62.611 62.300 0.018 0.000 0.850 22 V CB 0.934 32.768 31.823 0.019 0.000 0.987 22 V HN 0.622 nan 8.190 nan 0.000 0.436 23 R N 3.042 123.561 120.500 0.032 0.000 2.075 23 R HA -0.037 4.303 4.340 -0.000 0.000 0.232 23 R C 1.247 177.581 176.300 0.056 0.000 1.126 23 R CA 1.300 57.425 56.100 0.042 0.000 0.963 23 R CB -0.475 29.849 30.300 0.038 0.000 0.858 23 R HN 0.775 nan 8.270 nan 0.000 0.435 24 Q N -0.112 119.720 119.800 0.054 0.000 2.392 24 Q HA 0.423 4.763 4.340 -0.000 0.000 0.262 24 Q C -1.196 174.839 176.000 0.057 0.000 1.003 24 Q CA 0.300 56.142 55.803 0.064 0.000 0.888 24 Q CB 1.619 30.404 28.738 0.078 0.000 1.260 24 Q HN 0.311 nan 8.270 nan 0.000 0.435 25 V N 6.414 126.357 119.914 0.047 0.000 2.531 25 V HA 0.461 4.581 4.120 -0.000 0.000 0.301 25 V C -2.231 173.845 176.094 -0.031 0.000 1.034 25 V CA -1.770 60.532 62.300 0.003 0.000 0.865 25 V CB 1.595 33.441 31.823 0.039 0.000 0.995 25 V HN 0.864 nan 8.190 nan 0.000 0.424 26 P HA 0.122 nan 4.420 nan 0.000 0.272 26 P C 0.939 178.210 177.300 -0.049 0.000 1.230 26 P CA -0.074 62.916 63.100 -0.184 0.000 0.788 26 P CB 0.993 32.439 31.700 -0.423 0.000 0.949 27 S N 0.623 116.302 115.700 -0.036 0.000 2.419 27 S HA -0.045 4.425 4.470 -0.000 0.000 0.233 27 S C 0.761 175.375 174.600 0.023 0.000 1.016 27 S CA 1.168 59.370 58.200 0.003 0.000 0.974 27 S CB -1.104 62.092 63.200 -0.006 0.000 0.786 27 S HN 0.730 nan 8.310 nan 0.000 0.492 28 T N -1.938 112.623 114.554 0.011 0.000 2.896 28 T HA 0.584 4.933 4.350 -0.000 0.000 0.297 28 T C 0.233 174.984 174.700 0.085 0.000 1.108 28 T CA -0.496 61.630 62.100 0.044 0.000 1.004 28 T CB 1.895 70.776 68.868 0.022 0.000 1.159 28 T HN 0.016 nan 8.240 nan 0.000 0.499 29 E N 1.819 122.099 120.200 0.134 0.000 2.031 29 E HA 0.023 4.372 4.350 -0.000 0.000 0.193 29 E C 2.352 179.067 176.600 0.191 0.000 0.994 29 E CA 2.167 58.700 56.400 0.222 0.000 0.800 29 E CB -1.116 28.676 29.700 0.154 0.000 0.752 29 E HN 0.889 nan 8.360 nan 0.000 0.447 30 G N 0.156 109.017 108.800 0.102 0.000 2.596 30 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.223 30 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.223 30 G C 1.548 176.480 174.900 0.054 0.000 1.120 30 G CA 1.282 46.425 45.100 0.072 0.000 0.752 30 G HN 0.365 nan 8.290 nan 0.000 0.596 31 Q N -0.955 118.846 119.800 0.001 0.000 2.084 31 Q HA -0.132 4.208 4.340 -0.000 0.000 0.202 31 Q C 2.294 178.252 176.000 -0.071 0.000 0.978 31 Q CA 1.461 57.209 55.803 -0.092 0.000 0.844 31 Q CB -0.243 28.368 28.738 -0.213 0.000 0.898 31 Q HN 0.795 nan 8.270 nan 0.000 0.426 32 W N 0.899 122.220 121.300 0.035 0.000 2.342 32 W HA -0.184 4.476 4.660 -0.000 0.000 0.297 32 W C 2.058 178.658 176.519 0.134 0.000 1.213 32 W CA 0.832 58.229 57.345 0.086 0.000 1.251 32 W CB 0.091 29.629 29.460 0.131 0.000 1.136 32 W HN 0.075 nan 8.180 nan 0.000 0.526 33 K N -0.477 120.100 120.400 0.295 0.000 2.097 33 K HA -0.184 4.136 4.320 -0.000 0.000 0.206 33 K C 1.861 178.539 176.600 0.130 0.000 1.049 33 K CA 1.256 57.660 56.287 0.195 0.000 0.933 33 K CB -0.616 31.956 32.500 0.121 0.000 0.717 33 K HN 0.071 nan 8.250 nan 0.000 0.442 34 L N 1.214 122.470 121.223 0.055 0.000 2.095 34 L HA -0.037 4.303 4.340 -0.000 0.000 0.204 34 L C 1.791 178.616 176.870 -0.075 0.000 1.080 34 L CA 1.322 56.138 54.840 -0.039 0.000 0.759 34 L CB -0.367 41.621 42.059 -0.119 0.000 0.914 34 L HN 0.103 nan 8.230 nan 0.000 0.439 35 L N -0.861 120.328 121.223 -0.056 0.000 1.990 35 L HA -0.306 4.034 4.340 -0.000 0.000 0.213 35 L C 2.718 179.568 176.870 -0.033 0.000 1.072 35 L CA 1.625 56.418 54.840 -0.078 0.000 0.755 35 L CB -0.957 41.030 42.059 -0.121 0.000 0.889 35 L HN 0.410 nan 8.230 nan 0.000 0.432 36 H N -0.766 118.374 119.070 0.117 0.000 2.389 36 H HA -0.133 4.423 4.556 -0.000 0.000 0.299 36 H C 2.094 177.458 175.328 0.061 0.000 1.081 36 H CA 1.755 57.867 56.048 0.108 0.000 1.345 36 H CB -0.025 29.809 29.762 0.120 0.000 1.393 36 H HN 0.226 nan 8.280 nan 0.000 0.520 37 L N 0.809 122.125 121.223 0.156 0.000 2.017 37 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 37 L C 2.214 179.122 176.870 0.063 0.000 1.073 37 L CA 1.351 56.253 54.840 0.102 0.000 0.745 37 L CB -0.938 41.179 42.059 0.097 0.000 0.894 37 L HN 0.102 nan 8.230 nan 0.000 0.432 38 L N -0.233 120.979 121.223 -0.018 0.000 2.017 38 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 38 L C 2.760 179.647 176.870 0.028 0.000 1.073 38 L CA 1.864 56.657 54.840 -0.080 0.000 0.745 38 L CB -0.688 41.189 42.059 -0.303 0.000 0.894 38 L HN 0.387 nan 8.230 nan 0.000 0.432 39 K N 0.449 120.879 120.400 0.050 0.000 2.044 39 K HA -0.294 4.026 4.320 -0.000 0.000 0.210 39 K C 2.057 178.709 176.600 0.086 0.000 1.049 39 K CA 2.109 58.442 56.287 0.077 0.000 0.927 39 K CB -0.075 32.462 32.500 0.061 0.000 0.713 39 K HN 0.307 nan 8.250 nan 0.000 0.443 40 E N 0.322 120.578 120.200 0.093 0.000 2.077 40 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 40 E C 2.048 178.690 176.600 0.071 0.000 0.989 40 E CA 1.248 57.697 56.400 0.082 0.000 0.800 40 E CB 0.074 29.823 29.700 0.081 0.000 0.746 40 E HN 0.398 nan 8.360 nan 0.000 0.452 41 Q N 0.008 119.852 119.800 0.075 0.000 2.124 41 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 41 Q C 2.375 178.422 176.000 0.078 0.000 0.977 41 Q CA 1.141 56.989 55.803 0.076 0.000 0.850 41 Q CB 0.043 28.836 28.738 0.092 0.000 0.901 41 Q HN 0.388 nan 8.270 nan 0.000 0.429 42 L N 0.239 121.516 121.223 0.089 0.000 2.072 42 L HA -0.166 4.174 4.340 -0.000 0.000 0.205 42 L C 2.138 179.050 176.870 0.070 0.000 1.079 42 L CA 1.071 55.969 54.840 0.096 0.000 0.752 42 L CB -0.264 41.870 42.059 0.125 0.000 0.906 42 L HN 0.199 nan 8.230 nan 0.000 0.436 43 E N 0.218 120.457 120.200 0.065 0.000 2.058 43 E HA -0.273 4.077 4.350 -0.000 0.000 0.194 43 E C 2.054 178.681 176.600 0.045 0.000 0.997 43 E CA 1.535 57.966 56.400 0.051 0.000 0.801 43 E CB -0.092 29.639 29.700 0.050 0.000 0.746 43 E HN 0.482 nan 8.360 nan 0.000 0.450 44 E N 0.108 120.336 120.200 0.046 0.000 2.204 44 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 44 E C 1.877 178.499 176.600 0.037 0.000 0.990 44 E CA 0.648 57.071 56.400 0.039 0.000 0.821 44 E CB -0.028 29.695 29.700 0.038 0.000 0.750 44 E HN 0.207 nan 8.360 nan 0.000 0.477 45 M N -1.073 118.553 119.600 0.044 0.000 2.492 45 M HA 0.006 4.486 4.480 -0.000 0.000 0.262 45 M C 1.081 177.403 176.300 0.036 0.000 1.090 45 M CA 1.296 56.620 55.300 0.041 0.000 1.110 45 M CB 0.565 33.195 32.600 0.049 0.000 1.407 45 M HN 0.245 nan 8.290 nan 0.000 0.470 46 G N 0.104 108.925 108.800 0.036 0.000 2.179 46 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.220 46 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.220 46 G C -0.138 174.782 174.900 0.033 0.000 0.990 46 G CA -0.143 44.976 45.100 0.032 0.000 0.646 46 G HN 0.333 nan 8.290 nan 0.000 0.517 47 L N 1.394 122.639 121.223 0.037 0.000 2.483 47 L HA 0.570 4.910 4.340 -0.000 0.000 0.275 47 L C 1.283 178.170 176.870 0.028 0.000 1.220 47 L CA 0.506 55.366 54.840 0.034 0.000 0.833 47 L CB 0.530 42.614 42.059 0.041 0.000 1.102 47 L HN 0.476 nan 8.230 nan 0.000 0.490 48 I N -1.640 118.941 120.570 0.019 0.000 3.133 48 I HA 0.532 4.702 4.170 -0.000 0.000 0.311 48 I C -0.105 176.017 176.117 0.008 0.000 1.072 48 I CA -1.021 60.287 61.300 0.013 0.000 1.015 48 I CB 1.468 39.473 38.000 0.008 0.000 1.233 48 I HN 0.599 nan 8.210 nan 0.000 0.473 49 N N 0.850 119.553 118.700 0.006 0.000 2.714 49 N HA -0.126 4.614 4.740 -0.000 0.000 0.252 49 N C -0.721 174.795 175.510 0.010 0.000 1.014 49 N CA 0.571 53.623 53.050 0.003 0.000 0.735 49 N CB -1.425 37.056 38.487 -0.011 0.000 0.924 49 N HN 0.488 nan 8.380 nan 0.000 0.540 50 V N 0.714 120.641 119.914 0.022 0.000 2.389 50 V HA 0.324 4.444 4.120 -0.000 0.000 0.264 50 V C 0.927 177.039 176.094 0.031 0.000 1.049 50 V CA -0.166 62.154 62.300 0.034 0.000 0.932 50 V CB 1.042 32.893 31.823 0.048 0.000 1.011 50 V HN 0.420 nan 8.190 nan 0.000 0.475 51 T N 3.339 117.908 114.554 0.024 0.000 2.848 51 T HA 0.692 5.041 4.350 -0.000 0.000 0.285 51 T C -0.942 173.768 174.700 0.017 0.000 0.995 51 T CA -0.698 61.414 62.100 0.019 0.000 0.970 51 T CB 1.908 70.779 68.868 0.006 0.000 0.976 51 T HN 0.323 nan 8.240 nan 0.000 0.441 52 L N 3.752 124.991 121.223 0.027 0.000 2.294 52 L HA 0.610 4.950 4.340 -0.000 0.000 0.283 52 L C 0.547 177.456 176.870 0.066 0.000 1.015 52 L CA -0.210 54.650 54.840 0.034 0.000 0.831 52 L CB 1.166 43.232 42.059 0.012 0.000 1.217 52 L HN 1.014 nan 8.230 nan 0.000 0.420 53 S N 2.488 118.216 115.700 0.047 0.000 2.617 53 S HA 0.159 4.629 4.470 -0.000 0.000 0.255 53 S C 0.809 175.498 174.600 0.148 0.000 1.318 53 S CA -0.108 58.123 58.200 0.052 0.000 0.978 53 S CB 0.410 63.607 63.200 -0.004 0.000 0.961 53 S HN 0.736 nan 8.310 nan 0.000 0.582 54 E N -0.183 120.082 120.200 0.108 0.000 2.358 54 E HA 0.016 4.365 4.350 -0.000 0.000 0.195 54 E C 0.719 177.464 176.600 0.243 0.000 1.010 54 E CA 0.366 56.867 56.400 0.167 0.000 0.856 54 E CB 0.117 29.852 29.700 0.059 0.000 0.795 54 E HN 0.349 nan 8.360 nan 0.000 0.504 55 K N -0.531 119.903 120.400 0.057 0.000 2.410 55 K HA 0.139 4.459 4.320 -0.000 0.000 0.200 55 K C 0.680 177.181 176.600 -0.165 0.000 1.023 55 K CA 0.436 56.663 56.287 -0.099 0.000 1.149 55 K CB 0.865 33.097 32.500 -0.447 0.000 0.859 55 K HN 0.202 nan 8.250 nan 0.000 0.514 56 G N 1.169 109.854 108.800 -0.191 0.000 2.136 56 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.242 56 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.242 56 G C 0.003 174.729 174.900 -0.291 0.000 0.989 56 G CA 0.321 45.054 45.100 -0.612 0.000 0.682 56 G HN 0.232 nan 8.290 nan 0.000 0.522 57 T N 0.646 115.120 114.554 -0.134 0.000 2.767 57 T HA 0.564 4.914 4.350 -0.000 0.000 0.288 57 T C -0.215 174.442 174.700 -0.071 0.000 0.963 57 T CA -0.241 61.802 62.100 -0.096 0.000 1.019 57 T CB 1.773 70.574 68.868 -0.112 0.000 0.923 57 T HN 0.607 nan 8.240 nan 0.000 0.468 58 L N 5.358 126.565 121.223 -0.027 0.000 2.305 58 L HA 0.671 5.011 4.340 -0.000 0.000 0.284 58 L C -0.846 176.029 176.870 0.008 0.000 1.013 58 L CA -0.206 54.650 54.840 0.027 0.000 0.819 58 L CB 0.737 42.870 42.059 0.123 0.000 1.227 58 L HN 0.649 nan 8.230 nan 0.000 0.417 59 M N 4.586 124.188 119.600 0.002 0.000 2.530 59 M HA 0.876 5.356 4.480 -0.000 0.000 0.307 59 M C -0.741 175.581 176.300 0.036 0.000 1.161 59 M CA -0.619 54.694 55.300 0.022 0.000 0.903 59 M CB 2.301 34.914 32.600 0.021 0.000 1.711 59 M HN 0.748 nan 8.290 nan 0.000 0.451 60 A N 1.011 123.852 122.820 0.034 0.000 2.612 60 A HA 0.859 5.179 4.320 -0.000 0.000 0.293 60 A C -1.276 176.300 177.584 -0.014 0.000 1.075 60 A CA -0.621 51.428 52.037 0.022 0.000 0.680 60 A CB 1.952 20.985 19.000 0.056 0.000 1.279 60 A HN 0.633 nan 8.150 nan 0.000 0.411 61 T N 1.282 115.825 114.554 -0.018 0.000 2.879 61 T HA 0.500 4.850 4.350 -0.000 0.000 0.290 61 T C -1.159 173.535 174.700 -0.010 0.000 0.993 61 T CA -0.238 61.837 62.100 -0.041 0.000 0.975 61 T CB 1.084 69.914 68.868 -0.063 0.000 0.981 61 T HN 0.716 nan 8.240 nan 0.000 0.439 62 L N 6.935 128.152 121.223 -0.010 0.000 2.261 62 L HA 0.465 4.805 4.340 -0.000 0.000 0.289 62 L C -2.451 174.458 176.870 0.065 0.000 1.059 62 L CA -1.913 52.939 54.840 0.020 0.000 0.816 62 L CB 0.402 42.447 42.059 -0.023 0.000 1.191 62 L HN 0.318 nan 8.230 nan 0.000 0.431 63 P HA 0.198 nan 4.420 nan 0.000 0.274 63 P C -0.897 176.462 177.300 0.099 0.000 1.237 63 P CA -0.474 62.659 63.100 0.055 0.000 0.793 63 P CB 0.525 32.239 31.700 0.023 0.000 0.977 64 A N 2.037 124.876 122.820 0.031 0.000 2.598 64 A HA -0.121 4.199 4.320 -0.000 0.000 0.239 64 A C 1.398 178.880 177.584 -0.170 0.000 1.032 64 A CA 0.446 52.457 52.037 -0.043 0.000 0.760 64 A CB -0.793 18.176 19.000 -0.051 0.000 0.946 64 A HN 0.572 nan 8.150 nan 0.000 0.512 65 N N 0.134 118.548 118.700 -0.476 0.000 2.148 65 N HA 0.003 4.743 4.740 -0.000 0.000 0.186 65 N C 0.570 175.942 175.510 -0.230 0.000 1.031 65 N CA 1.794 54.563 53.050 -0.469 0.000 0.848 65 N CB -0.088 37.907 38.487 -0.821 0.000 1.005 65 N HN 0.705 nan 8.380 nan 0.000 0.427 66 V N -1.630 118.166 119.914 -0.197 0.000 3.103 66 V HA 0.664 4.784 4.120 -0.000 0.000 0.318 66 V C -2.273 173.776 176.094 -0.076 0.000 1.114 66 V CA -1.868 60.365 62.300 -0.110 0.000 1.020 66 V CB 1.018 32.787 31.823 -0.090 0.000 1.085 66 V HN 0.013 nan 8.190 nan 0.000 0.446 67 P HA 0.625 nan 4.420 nan 0.000 0.274 67 P C 0.103 177.383 177.300 -0.032 0.000 1.256 67 P CA 0.675 63.752 63.100 -0.038 0.000 0.795 67 P CB 0.940 32.622 31.700 -0.029 0.000 1.038 68 G N 0.255 109.040 108.800 -0.026 0.000 2.539 68 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.686 68 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.686 68 G C -1.245 173.642 174.900 -0.022 0.000 1.258 68 G CA -0.528 44.559 45.100 -0.020 0.000 0.846 68 G HN 0.730 nan 8.290 nan 0.000 0.647 69 D N 0.396 120.786 120.400 -0.017 0.000 2.517 69 D HA 0.453 5.093 4.640 -0.000 0.000 0.220 69 D C 0.768 177.057 176.300 -0.018 0.000 1.158 69 D CA -0.340 53.649 54.000 -0.019 0.000 0.992 69 D CB -0.321 40.470 40.800 -0.015 0.000 1.058 69 D HN 0.537 nan 8.370 nan 0.000 0.516 70 I N 4.059 124.616 120.570 -0.023 0.000 2.395 70 I HA 0.271 4.441 4.170 -0.000 0.000 0.289 70 I C -1.547 174.539 176.117 -0.050 0.000 1.023 70 I CA -1.923 59.364 61.300 -0.022 0.000 1.350 70 I CB 1.033 39.024 38.000 -0.016 0.000 1.409 70 I HN 0.259 nan 8.210 nan 0.000 0.507 71 P HA 0.120 nan 4.420 nan 0.000 0.268 71 P C -0.674 176.475 177.300 -0.252 0.000 1.204 71 P CA -0.356 62.671 63.100 -0.122 0.000 0.768 71 P CB 0.737 32.405 31.700 -0.054 0.000 0.842 72 A N 4.624 127.289 122.820 -0.259 0.000 2.454 72 A HA 0.483 4.803 4.320 -0.000 0.000 0.260 72 A C 0.641 177.914 177.584 -0.517 0.000 1.106 72 A CA -0.452 51.397 52.037 -0.314 0.000 0.780 72 A CB -0.582 18.264 19.000 -0.257 0.000 1.044 72 A HN 0.648 nan 8.150 nan 0.000 0.498 73 I N -0.091 120.148 120.570 -0.551 0.000 2.846 73 I HA 0.939 5.109 4.170 -0.000 0.000 0.307 73 I C 0.212 175.997 176.117 -0.554 0.000 1.053 73 I CA -0.952 59.904 61.300 -0.740 0.000 1.050 73 I CB 2.470 39.933 38.000 -0.895 0.000 1.239 73 I HN 0.570 nan 8.210 nan 0.000 0.439 74 G N 2.857 111.333 108.800 -0.540 0.000 2.498 74 G HA2 0.765 4.725 3.960 -0.000 0.000 0.312 74 G HA3 0.765 4.725 3.960 -0.000 0.000 0.312 74 G C -1.749 172.879 174.900 -0.453 0.000 1.230 74 G CA -0.648 44.292 45.100 -0.266 0.000 0.968 74 G HN 0.513 nan 8.290 nan 0.000 0.481 75 F N -0.271 119.788 119.950 0.182 0.000 2.556 75 F HA 0.629 5.156 4.527 -0.000 0.000 0.314 75 F C -0.031 175.789 175.800 0.034 0.000 1.106 75 F CA -0.663 57.407 58.000 0.117 0.000 0.911 75 F CB 2.580 41.603 39.000 0.038 0.000 1.190 75 F HN 0.144 nan 8.300 nan 0.000 0.448 76 I N 1.785 122.449 120.570 0.156 0.000 2.533 76 I HA 0.550 4.720 4.170 -0.000 0.000 0.290 76 I C -0.601 175.554 176.117 0.063 0.000 1.056 76 I CA -0.207 61.098 61.300 0.008 0.000 1.057 76 I CB 2.245 40.188 38.000 -0.095 0.000 1.240 76 I HN 0.493 nan 8.210 nan 0.000 0.423 77 S N 2.169 117.929 115.700 0.100 0.000 2.632 77 S HA 0.611 5.081 4.470 -0.000 0.000 0.289 77 S C -1.232 173.492 174.600 0.207 0.000 1.115 77 S CA -0.735 57.563 58.200 0.164 0.000 0.889 77 S CB 1.734 65.083 63.200 0.249 0.000 1.116 77 S HN 0.755 nan 8.310 nan 0.000 0.486 78 H N -1.866 117.253 119.070 0.082 0.000 2.569 78 H HA 0.640 5.196 4.556 -0.000 0.000 0.357 78 H C 0.585 175.903 175.328 -0.018 0.000 1.153 78 H CA -1.123 54.945 56.048 0.033 0.000 1.193 78 H CB 0.663 30.417 29.762 -0.013 0.000 1.602 78 H HN 0.291 nan 8.280 nan 0.000 0.523 79 V N -1.444 118.493 119.914 0.039 0.000 3.541 79 V HA 0.049 4.169 4.120 -0.000 0.000 0.267 79 V C 0.241 176.315 176.094 -0.033 0.000 1.213 79 V CA 0.456 62.704 62.300 -0.086 0.000 1.149 79 V CB -0.863 30.881 31.823 -0.131 0.000 0.822 79 V HN 0.882 nan 8.190 nan 0.000 0.462 80 D N 1.263 121.722 120.400 0.099 0.000 2.217 80 D HA 0.421 5.061 4.640 -0.000 0.000 0.248 80 D C -0.009 176.375 176.300 0.140 0.000 1.008 80 D CA 0.227 54.279 54.000 0.085 0.000 0.914 80 D CB 2.043 42.870 40.800 0.046 0.000 1.182 80 D HN 0.381 nan 8.370 nan 0.000 0.451 81 T N -2.434 112.163 114.554 0.071 0.000 2.918 81 T HA 0.394 4.744 4.350 -0.000 0.000 0.286 81 T C 0.298 175.039 174.700 0.069 0.000 1.026 81 T CA -0.933 61.217 62.100 0.084 0.000 1.031 81 T CB 1.323 70.222 68.868 0.052 0.000 1.046 81 T HN 0.419 nan 8.240 nan 0.000 0.479 82 S N 1.971 117.733 115.700 0.104 0.000 2.558 82 S HA 0.117 4.587 4.470 -0.000 0.000 0.293 82 S C -1.503 173.113 174.600 0.026 0.000 1.292 82 S CA -0.912 57.318 58.200 0.049 0.000 1.063 82 S CB -0.047 63.218 63.200 0.109 0.000 0.831 82 S HN 0.607 nan 8.310 nan 0.000 0.499 83 P HA 0.029 nan 4.420 nan 0.000 0.230 83 P C 0.440 177.746 177.300 0.009 0.000 1.158 83 P CA 0.549 63.647 63.100 -0.002 0.000 0.769 83 P CB 0.052 31.742 31.700 -0.018 0.000 0.807 84 D N -1.426 118.983 120.400 0.014 0.000 2.219 84 D HA -0.064 4.576 4.640 -0.000 0.000 0.205 84 D C 0.690 177.022 176.300 0.052 0.000 0.970 84 D CA 0.821 54.841 54.000 0.034 0.000 0.851 84 D CB -0.256 40.574 40.800 0.050 0.000 0.943 84 D HN 0.182 nan 8.370 nan 0.000 0.488 85 C N -0.839 118.496 119.300 0.059 0.000 3.086 85 C HA 0.484 4.944 4.460 -0.000 0.000 0.311 85 C C -0.051 174.965 174.990 0.043 0.000 1.260 85 C CA -0.806 58.245 59.018 0.054 0.000 1.426 85 C CB 1.509 29.292 27.740 0.072 0.000 1.826 85 C HN 0.102 nan 8.230 nan 0.000 0.474 86 S N 1.194 116.913 115.700 0.030 0.000 2.558 86 S HA 0.372 4.841 4.470 -0.000 0.000 0.288 86 S C 1.043 175.656 174.600 0.022 0.000 1.318 86 S CA 0.854 59.067 58.200 0.022 0.000 1.056 86 S CB 0.515 63.724 63.200 0.014 0.000 0.853 86 S HN 1.203 nan 8.310 nan 0.000 0.505 87 G N 3.374 112.184 108.800 0.017 0.000 3.453 87 G HA2 0.199 4.159 3.960 -0.000 0.000 0.263 87 G HA3 0.199 4.159 3.960 -0.000 0.000 0.263 87 G C -0.013 174.888 174.900 0.001 0.000 1.060 87 G CA -0.336 44.771 45.100 0.012 0.000 0.793 87 G HN 0.624 nan 8.290 nan 0.000 0.532 88 K N 1.127 121.528 120.400 0.002 0.000 2.185 88 K HA 0.260 4.580 4.320 -0.000 0.000 0.269 88 K C 0.131 176.728 176.600 -0.006 0.000 0.987 88 K CA -0.671 55.616 56.287 -0.001 0.000 0.865 88 K CB 0.373 32.875 32.500 0.004 0.000 1.090 88 K HN -0.014 nan 8.250 nan 0.000 0.450 89 N N 1.655 120.349 118.700 -0.010 0.000 2.705 89 N HA -0.163 4.577 4.740 -0.000 0.000 0.255 89 N C -0.799 174.700 175.510 -0.018 0.000 1.008 89 N CA 0.708 53.749 53.050 -0.015 0.000 0.742 89 N CB -1.197 37.284 38.487 -0.010 0.000 0.906 89 N HN 0.294 nan 8.380 nan 0.000 0.541 90 V N 1.085 120.984 119.914 -0.026 0.000 2.529 90 V HA -0.003 4.117 4.120 -0.000 0.000 0.292 90 V C 1.076 177.149 176.094 -0.035 0.000 1.028 90 V CA -0.006 62.277 62.300 -0.029 0.000 1.074 90 V CB 1.098 32.896 31.823 -0.041 0.000 0.958 90 V HN 0.393 nan 8.190 nan 0.000 0.481 91 N N 6.531 125.217 118.700 -0.024 0.000 2.898 91 N HA 0.389 5.129 4.740 -0.000 0.000 0.245 91 N C -2.836 172.666 175.510 -0.013 0.000 1.185 91 N CA -1.827 51.210 53.050 -0.021 0.000 0.879 91 N CB 1.202 39.681 38.487 -0.014 0.000 1.157 91 N HN 0.318 nan 8.380 nan 0.000 0.503 92 P HA 0.100 nan 4.420 nan 0.000 0.271 92 P C -0.792 176.518 177.300 0.017 0.000 1.216 92 P CA 0.103 63.207 63.100 0.007 0.000 0.776 92 P CB 0.639 32.339 31.700 -0.000 0.000 0.881 93 Q N 1.621 121.439 119.800 0.029 0.000 2.282 93 Q HA 0.553 4.893 4.340 -0.000 0.000 0.260 93 Q C -0.565 175.459 176.000 0.039 0.000 0.964 93 Q CA -0.577 55.241 55.803 0.025 0.000 0.880 93 Q CB 1.574 30.320 28.738 0.013 0.000 1.286 93 Q HN 0.396 nan 8.270 nan 0.000 0.445 94 I N 2.260 122.852 120.570 0.037 0.000 2.382 94 I HA 0.251 4.421 4.170 -0.000 0.000 0.285 94 I C -0.810 175.331 176.117 0.040 0.000 1.007 94 I CA -0.778 60.550 61.300 0.047 0.000 1.142 94 I CB 1.618 39.648 38.000 0.050 0.000 1.289 94 I HN 0.261 nan 8.210 nan 0.000 0.453 95 V N 6.212 126.149 119.914 0.039 0.000 2.294 95 V HA 0.260 4.380 4.120 -0.000 0.000 0.272 95 V C 0.259 176.398 176.094 0.075 0.000 1.027 95 V CA -0.710 61.620 62.300 0.050 0.000 0.823 95 V CB 0.545 32.387 31.823 0.032 0.000 1.030 95 V HN 0.669 nan 8.190 nan 0.000 0.457 96 E N 3.508 123.751 120.200 0.071 0.000 2.354 96 E HA 0.186 4.536 4.350 -0.000 0.000 0.269 96 E C 0.477 177.130 176.600 0.088 0.000 1.036 96 E CA -0.322 56.121 56.400 0.072 0.000 0.876 96 E CB 0.332 30.063 29.700 0.052 0.000 1.009 96 E HN 0.676 nan 8.360 nan 0.000 0.416 97 N N 2.287 121.041 118.700 0.091 0.000 2.671 97 N HA -0.269 4.471 4.740 -0.000 0.000 0.261 97 N C -1.385 174.190 175.510 0.109 0.000 1.053 97 N CA 0.485 53.584 53.050 0.082 0.000 0.732 97 N CB -1.486 37.029 38.487 0.047 0.000 0.887 97 N HN 0.574 nan 8.380 nan 0.000 0.546 98 Y N 1.331 121.639 120.300 0.013 0.000 2.620 98 Y HA 0.136 4.686 4.550 -0.000 0.000 0.330 98 Y C 1.107 177.008 175.900 0.002 0.000 1.186 98 Y CA -0.251 57.850 58.100 0.002 0.000 1.467 98 Y CB 0.562 39.018 38.460 -0.006 0.000 1.262 98 Y HN 0.192 nan 8.280 nan 0.000 0.550 99 R N 4.695 124.897 120.500 -0.497 0.000 2.552 99 R HA 0.177 4.517 4.340 -0.000 0.000 0.314 99 R C 0.940 176.876 176.300 -0.607 0.000 1.041 99 R CA 0.411 56.256 56.100 -0.425 0.000 1.076 99 R CB 0.096 30.290 30.300 -0.176 0.000 1.290 99 R HN 1.128 nan 8.270 nan 0.000 0.563 100 G N 0.448 108.434 108.800 -1.356 0.000 2.160 100 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.251 100 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.251 100 G C 0.409 175.145 174.900 -0.273 0.000 1.008 100 G CA 0.349 44.975 45.100 -0.789 0.000 0.724 100 G HN 0.576 nan 8.290 nan 0.000 0.514 101 G N -1.178 107.510 108.800 -0.186 0.000 2.795 101 G HA2 0.573 4.533 3.960 -0.000 0.000 0.267 101 G HA3 0.573 4.533 3.960 -0.000 0.000 0.267 101 G C -0.759 174.230 174.900 0.149 0.000 1.362 101 G CA -0.318 44.800 45.100 0.030 0.000 1.048 101 G HN 0.131 nan 8.290 nan 0.000 0.547 102 D N -0.116 120.336 120.400 0.086 0.000 2.389 102 D HA 0.313 4.953 4.640 -0.000 0.000 0.247 102 D C 0.062 176.409 176.300 0.077 0.000 1.128 102 D CA 0.508 54.549 54.000 0.068 0.000 0.884 102 D CB 1.167 41.992 40.800 0.042 0.000 1.194 102 D HN 0.128 nan 8.370 nan 0.000 0.441 103 I N 1.616 122.208 120.570 0.036 0.000 2.362 103 I HA 0.378 4.548 4.170 -0.000 0.000 0.289 103 I C 0.250 176.375 176.117 0.013 0.000 0.994 103 I CA -1.063 60.242 61.300 0.009 0.000 1.158 103 I CB 1.683 39.633 38.000 -0.083 0.000 1.315 103 I HN 0.268 nan 8.210 nan 0.000 0.451 104 A N 7.882 130.714 122.820 0.020 0.000 2.409 104 A HA 0.539 4.859 4.320 -0.000 0.000 0.267 104 A C -0.202 177.389 177.584 0.012 0.000 1.127 104 A CA -0.247 51.803 52.037 0.022 0.000 0.795 104 A CB 0.025 19.038 19.000 0.022 0.000 1.061 104 A HN 0.732 nan 8.150 nan 0.000 0.502 105 L N 4.002 125.234 121.223 0.014 0.000 2.270 105 L HA 0.535 4.875 4.340 -0.000 0.000 0.286 105 L C 1.144 178.012 176.870 -0.002 0.000 1.059 105 L CA 0.355 55.194 54.840 -0.002 0.000 0.839 105 L CB -0.197 41.850 42.059 -0.021 0.000 1.221 105 L HN 1.221 nan 8.230 nan 0.000 0.431 106 G N 3.788 112.587 108.800 -0.001 0.000 2.598 106 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.244 106 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.244 106 G C -0.502 174.401 174.900 0.006 0.000 1.302 106 G CA -0.547 44.553 45.100 0.001 0.000 0.903 106 G HN 0.493 nan 8.290 nan 0.000 0.575 107 I N 2.319 122.892 120.570 0.006 0.000 2.388 107 I HA 0.667 4.837 4.170 -0.000 0.000 0.281 107 I C 0.884 177.006 176.117 0.009 0.000 1.046 107 I CA 0.807 62.112 61.300 0.008 0.000 1.187 107 I CB 0.755 38.760 38.000 0.007 0.000 1.351 107 I HN 1.358 nan 8.210 nan 0.000 0.472 108 G N 3.320 112.127 108.800 0.012 0.000 2.321 108 G HA2 0.113 4.073 3.960 -0.000 0.000 0.296 108 G HA3 0.113 4.073 3.960 -0.000 0.000 0.296 108 G C -1.033 173.879 174.900 0.021 0.000 1.287 108 G CA -0.574 44.535 45.100 0.015 0.000 0.846 108 G HN 0.239 nan 8.290 nan 0.000 0.508 109 D N 0.717 121.131 120.400 0.025 0.000 2.336 109 D HA 0.202 4.841 4.640 -0.000 0.000 0.228 109 D C 0.242 176.572 176.300 0.050 0.000 1.120 109 D CA 0.322 54.342 54.000 0.033 0.000 0.839 109 D CB 0.468 41.285 40.800 0.029 0.000 0.932 109 D HN 0.228 nan 8.370 nan 0.000 0.509 110 E N 0.449 120.677 120.200 0.048 0.000 2.227 110 E HA 0.394 4.744 4.350 -0.000 0.000 0.282 110 E C -0.370 176.280 176.600 0.084 0.000 1.015 110 E CA -0.430 56.012 56.400 0.071 0.000 0.823 110 E CB 2.577 32.286 29.700 0.015 0.000 1.081 110 E HN -0.168 nan 8.360 nan 0.000 0.396 111 V N 3.242 123.254 119.914 0.165 0.000 2.932 111 V HA 0.188 4.308 4.120 -0.000 0.000 0.307 111 V C -1.054 175.184 176.094 0.240 0.000 1.147 111 V CA -0.880 61.504 62.300 0.141 0.000 0.951 111 V CB 2.595 34.470 31.823 0.087 0.000 1.031 111 V HN 0.482 nan 8.190 nan 0.000 0.426 112 L N 4.890 126.204 121.223 0.151 0.000 2.255 112 L HA 0.759 5.098 4.340 -0.000 0.000 0.289 112 L C 0.096 176.984 176.870 0.031 0.000 1.046 112 L CA 0.579 55.493 54.840 0.123 0.000 0.816 112 L CB 1.220 43.240 42.059 -0.065 0.000 1.197 112 L HN 0.787 nan 8.230 nan 0.000 0.427 113 S N 5.174 120.914 115.700 0.067 0.000 2.557 113 S HA 0.620 5.090 4.470 -0.000 0.000 0.291 113 S C -2.165 172.421 174.600 -0.023 0.000 1.116 113 S CA -1.191 57.014 58.200 0.010 0.000 0.992 113 S CB 1.870 65.066 63.200 -0.007 0.000 1.028 113 S HN 0.490 nan 8.310 nan 0.000 0.484 114 P HA -0.053 nan 4.420 nan 0.000 0.223 114 P C 1.457 178.644 177.300 -0.188 0.000 1.144 114 P CA 0.437 63.397 63.100 -0.234 0.000 0.783 114 P CB -0.068 31.322 31.700 -0.516 0.000 0.771 115 V N -0.266 119.589 119.914 -0.098 0.000 2.295 115 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 115 V C 2.679 178.673 176.094 -0.166 0.000 1.049 115 V CA 1.880 64.134 62.300 -0.075 0.000 1.024 115 V CB -0.875 30.916 31.823 -0.053 0.000 0.648 115 V HN 0.100 nan 8.190 nan 0.000 0.447 116 M N -1.535 117.903 119.600 -0.269 0.000 2.236 116 M HA 0.050 4.530 4.480 -0.000 0.000 0.266 116 M C -0.136 175.662 176.300 -0.837 0.000 1.070 116 M CA 1.539 56.489 55.300 -0.584 0.000 1.137 116 M CB 0.362 32.531 32.600 -0.719 0.000 1.378 116 M HN 0.303 nan 8.290 nan 0.000 0.426 117 F N 0.087 119.957 119.950 -0.132 0.000 2.686 117 F HA 0.361 4.888 4.527 -0.000 0.000 0.365 117 F C -1.846 173.849 175.800 -0.176 0.000 1.196 117 F CA -2.334 55.594 58.000 -0.121 0.000 1.198 117 F CB 0.278 39.219 39.000 -0.097 0.000 1.454 117 F HN -0.030 nan 8.300 nan 0.000 0.539 118 P HA -0.179 nan 4.420 nan 0.000 0.220 118 P C 1.643 178.916 177.300 -0.045 0.000 1.144 118 P CA 1.110 64.167 63.100 -0.072 0.000 0.800 118 P CB 0.128 31.875 31.700 0.078 0.000 0.772 119 V N 0.027 119.930 119.914 -0.019 0.000 2.317 119 V HA -0.282 3.838 4.120 -0.000 0.000 0.251 119 V C 2.701 178.759 176.094 -0.060 0.000 1.065 119 V CA 1.730 63.984 62.300 -0.077 0.000 1.049 119 V CB -1.890 29.768 31.823 -0.275 0.000 0.651 119 V HN 0.037 nan 8.190 nan 0.000 0.450 120 L N -0.693 120.483 121.223 -0.080 0.000 2.043 120 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 120 L C 2.767 179.720 176.870 0.139 0.000 1.075 120 L CA 1.826 56.672 54.840 0.010 0.000 0.752 120 L CB -1.091 40.930 42.059 -0.064 0.000 0.891 120 L HN 0.388 nan 8.230 nan 0.000 0.432 121 H N -0.108 119.015 119.070 0.090 0.000 2.431 121 H HA -0.183 4.373 4.556 -0.000 0.000 0.297 121 H C 1.925 177.271 175.328 0.030 0.000 1.115 121 H CA 1.202 57.272 56.048 0.035 0.000 1.277 121 H CB -0.068 29.702 29.762 0.013 0.000 1.372 121 H HN 0.449 nan 8.280 nan 0.000 0.516 122 Q N 0.025 119.918 119.800 0.155 0.000 2.280 122 Q HA 0.145 4.485 4.340 -0.000 0.000 0.201 122 Q C 0.888 176.949 176.000 0.102 0.000 0.890 122 Q CA 0.114 55.977 55.803 0.100 0.000 0.947 122 Q CB 0.688 29.468 28.738 0.070 0.000 1.081 122 Q HN 0.457 nan 8.270 nan 0.000 0.502 123 L N 0.580 121.894 121.223 0.153 0.000 3.110 123 L HA 0.294 4.633 4.340 -0.000 0.000 0.266 123 L C 0.019 177.036 176.870 0.245 0.000 1.257 123 L CA -0.213 54.746 54.840 0.199 0.000 1.038 123 L CB 0.381 42.573 42.059 0.222 0.000 1.395 123 L HN 0.005 nan 8.230 nan 0.000 0.566 124 L N 0.997 122.289 121.223 0.116 0.000 2.499 124 L HA 0.167 4.506 4.340 -0.000 0.000 0.273 124 L C 1.479 178.383 176.870 0.056 0.000 1.195 124 L CA 1.083 55.933 54.840 0.017 0.000 0.882 124 L CB 0.525 42.557 42.059 -0.045 0.000 1.133 124 L HN 0.471 nan 8.230 nan 0.000 0.483 125 G N 1.862 110.697 108.800 0.057 0.000 2.179 125 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.260 125 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.260 125 G C 0.295 175.250 174.900 0.092 0.000 0.977 125 G CA -0.090 45.047 45.100 0.062 0.000 0.641 125 G HN 0.583 nan 8.290 nan 0.000 0.533 126 Q N 0.227 120.108 119.800 0.136 0.000 2.260 126 Q HA 0.536 4.876 4.340 -0.000 0.000 0.238 126 Q C -0.076 176.003 176.000 0.132 0.000 0.948 126 Q CA 0.048 55.927 55.803 0.127 0.000 0.895 126 Q CB 0.769 29.590 28.738 0.139 0.000 1.218 126 Q HN 0.182 nan 8.270 nan 0.000 0.470 127 T N 2.679 117.292 114.554 0.099 0.000 2.739 127 T HA 0.301 4.651 4.350 -0.000 0.000 0.298 127 T C -0.281 174.472 174.700 0.088 0.000 0.929 127 T CA -0.299 61.853 62.100 0.087 0.000 1.014 127 T CB -0.037 68.870 68.868 0.066 0.000 0.914 127 T HN 0.235 nan 8.240 nan 0.000 0.509 128 L N 4.583 125.850 121.223 0.073 0.000 2.312 128 L HA 0.534 4.874 4.340 -0.000 0.000 0.281 128 L C -0.097 176.821 176.870 0.081 0.000 1.070 128 L CA -0.757 54.124 54.840 0.068 0.000 0.805 128 L CB 1.205 43.206 42.059 -0.097 0.000 1.174 128 L HN 0.539 nan 8.230 nan 0.000 0.434 129 I N 2.597 123.253 120.570 0.144 0.000 2.355 129 I HA 0.295 4.465 4.170 -0.000 0.000 0.288 129 I C 0.546 176.779 176.117 0.193 0.000 0.999 129 I CA -0.001 61.396 61.300 0.161 0.000 1.163 129 I CB 1.833 39.970 38.000 0.228 0.000 1.316 129 I HN 0.655 nan 8.210 nan 0.000 0.454 130 T N 0.511 115.138 114.554 0.123 0.000 2.883 130 T HA 0.687 5.037 4.350 -0.000 0.000 0.284 130 T C 0.262 175.008 174.700 0.077 0.000 1.041 130 T CA -0.634 61.532 62.100 0.109 0.000 1.007 130 T CB 1.650 70.525 68.868 0.011 0.000 1.220 130 T HN 0.532 nan 8.240 nan 0.000 0.552 131 T N -1.420 113.165 114.554 0.053 0.000 2.867 131 T HA 0.395 4.745 4.350 -0.000 0.000 0.286 131 T C 0.272 174.972 174.700 -0.000 0.000 1.022 131 T CA 0.005 62.118 62.100 0.022 0.000 0.933 131 T CB 0.519 69.391 68.868 0.007 0.000 1.280 131 T HN 0.789 nan 8.240 nan 0.000 0.566 132 D N -2.319 118.075 120.400 -0.010 0.000 2.440 132 D HA 0.279 4.919 4.640 -0.000 0.000 0.216 132 D C 1.432 177.718 176.300 -0.024 0.000 1.150 132 D CA 0.262 54.254 54.000 -0.013 0.000 0.832 132 D CB -0.415 40.380 40.800 -0.007 0.000 0.992 132 D HN 1.103 nan 8.370 nan 0.000 0.502 133 G N 1.158 109.931 108.800 -0.046 0.000 2.268 133 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.240 133 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.240 133 G C 1.201 176.070 174.900 -0.052 0.000 1.010 133 G CA 0.343 45.401 45.100 -0.070 0.000 0.618 133 G HN 0.423 nan 8.290 nan 0.000 0.516 134 K N 0.670 121.053 120.400 -0.028 0.000 2.305 134 K HA 0.262 4.582 4.320 -0.000 0.000 0.199 134 K C 1.292 177.886 176.600 -0.010 0.000 1.047 134 K CA 1.350 57.628 56.287 -0.015 0.000 0.976 134 K CB 0.266 32.762 32.500 -0.008 0.000 0.765 134 K HN 0.681 nan 8.250 nan 0.000 0.474 135 T N -3.000 111.547 114.554 -0.012 0.000 2.812 135 T HA 0.413 4.763 4.350 -0.000 0.000 0.294 135 T C -0.050 174.656 174.700 0.011 0.000 1.159 135 T CA -1.043 61.058 62.100 0.002 0.000 1.008 135 T CB 0.899 69.768 68.868 0.003 0.000 1.289 135 T HN -0.152 nan 8.240 nan 0.000 0.514 136 L N 0.831 122.073 121.223 0.032 0.000 2.461 136 L HA 0.202 4.542 4.340 -0.000 0.000 0.259 136 L C 1.387 178.285 176.870 0.047 0.000 1.248 136 L CA -0.492 54.380 54.840 0.054 0.000 0.823 136 L CB 0.057 42.157 42.059 0.069 0.000 1.111 136 L HN 0.635 nan 8.230 nan 0.000 0.516 137 L N 0.665 121.933 121.223 0.075 0.000 2.262 137 L HA 0.284 4.624 4.340 -0.000 0.000 0.197 137 L C 1.241 178.146 176.870 0.058 0.000 1.073 137 L CA 1.751 56.638 54.840 0.079 0.000 0.800 137 L CB -0.124 42.025 42.059 0.151 0.000 0.987 137 L HN 0.863 nan 8.230 nan 0.000 0.470 138 G N -1.584 107.262 108.800 0.077 0.000 2.144 138 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 138 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 138 G C 1.136 176.103 174.900 0.112 0.000 0.988 138 G CA 0.605 45.731 45.100 0.044 0.000 0.659 138 G HN 0.773 nan 8.290 nan 0.000 0.522 139 A N -0.055 122.896 122.820 0.217 0.000 1.917 139 A HA 0.112 4.432 4.320 -0.000 0.000 0.219 139 A C 1.258 178.800 177.584 -0.070 0.000 1.182 139 A CA 2.108 54.279 52.037 0.224 0.000 0.633 139 A CB -0.249 18.848 19.000 0.161 0.000 0.819 139 A HN 0.718 nan 8.150 nan 0.000 0.448 140 D N -0.350 119.857 120.400 -0.322 0.000 2.352 140 D HA 0.348 4.988 4.640 -0.000 0.000 0.245 140 D C -0.536 175.611 176.300 -0.255 0.000 1.224 140 D CA -0.038 53.628 54.000 -0.556 0.000 0.879 140 D CB 0.505 40.624 40.800 -1.136 0.000 1.057 140 D HN 0.153 nan 8.370 nan 0.000 0.491 141 D N 2.682 122.885 120.400 -0.328 0.000 2.720 141 D HA 0.123 4.763 4.640 -0.000 0.000 0.285 141 D C 0.584 176.746 176.300 -0.230 0.000 1.359 141 D CA -0.107 53.644 54.000 -0.415 0.000 0.818 141 D CB 0.284 40.567 40.800 -0.861 0.000 1.108 141 D HN 0.268 nan 8.370 nan 0.000 0.474 142 K N -0.399 119.968 120.400 -0.054 0.000 2.365 142 K HA 0.164 4.484 4.320 -0.000 0.000 0.197 142 K C 1.923 178.702 176.600 0.299 0.000 1.042 142 K CA 0.706 57.052 56.287 0.098 0.000 0.987 142 K CB 0.357 32.945 32.500 0.147 0.000 0.779 142 K HN 0.121 nan 8.250 nan 0.000 0.484 143 A N 1.455 124.386 122.820 0.185 0.000 1.877 143 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 143 A C 2.399 179.941 177.584 -0.070 0.000 1.186 143 A CA 1.908 53.874 52.037 -0.119 0.000 0.620 143 A CB -1.323 17.502 19.000 -0.292 0.000 0.822 143 A HN 0.385 nan 8.150 nan 0.000 0.443 144 G N 0.350 109.107 108.800 -0.072 0.000 2.491 144 G HA2 -0.277 3.682 3.960 -0.000 0.000 0.218 144 G HA3 -0.277 3.682 3.960 -0.000 0.000 0.218 144 G C 1.526 176.439 174.900 0.021 0.000 1.180 144 G CA 1.341 46.409 45.100 -0.053 0.000 0.774 144 G HN 0.506 nan 8.290 nan 0.000 0.562 145 I N 1.523 122.103 120.570 0.015 0.000 2.127 145 I HA -0.209 3.961 4.170 -0.000 0.000 0.241 145 I C 3.338 179.512 176.117 0.095 0.000 1.075 145 I CA 1.189 62.475 61.300 -0.023 0.000 1.334 145 I CB -0.426 37.325 38.000 -0.416 0.000 1.040 145 I HN 0.245 nan 8.210 nan 0.000 0.405 146 A N 0.489 123.451 122.820 0.237 0.000 1.908 146 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 146 A C 2.209 179.851 177.584 0.096 0.000 1.181 146 A CA 2.007 54.210 52.037 0.277 0.000 0.627 146 A CB -0.660 18.503 19.000 0.272 0.000 0.818 146 A HN 0.489 nan 8.150 nan 0.000 0.445 147 E N -0.359 119.850 120.200 0.016 0.000 2.051 147 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 147 E C 1.899 178.456 176.600 -0.071 0.000 0.991 147 E CA 1.271 57.634 56.400 -0.062 0.000 0.799 147 E CB -0.292 29.331 29.700 -0.128 0.000 0.748 147 E HN 0.682 nan 8.360 nan 0.000 0.449 148 I N 0.626 121.182 120.570 -0.023 0.000 2.163 148 I HA -0.310 3.860 4.170 -0.000 0.000 0.243 148 I C 2.374 178.509 176.117 0.030 0.000 1.085 148 I CA 0.835 62.122 61.300 -0.021 0.000 1.347 148 I CB -0.174 37.916 38.000 0.150 0.000 1.044 148 I HN 0.216 nan 8.210 nan 0.000 0.408 149 M N -0.144 119.524 119.600 0.114 0.000 2.080 149 M HA -0.180 4.299 4.480 -0.000 0.000 0.260 149 M C 2.453 178.777 176.300 0.041 0.000 1.068 149 M CA 2.015 57.381 55.300 0.111 0.000 1.109 149 M CB -1.651 31.043 32.600 0.156 0.000 1.342 149 M HN 0.231 nan 8.290 nan 0.000 0.405 150 T N 1.119 115.683 114.554 0.016 0.000 2.746 150 T HA -0.059 4.291 4.350 -0.000 0.000 0.267 150 T C 1.918 176.587 174.700 -0.051 0.000 1.039 150 T CA 1.618 63.709 62.100 -0.016 0.000 1.142 150 T CB -0.377 68.477 68.868 -0.024 0.000 0.866 150 T HN 0.485 nan 8.240 nan 0.000 0.444 151 A N 1.435 124.198 122.820 -0.096 0.000 1.883 151 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 151 A C 2.320 179.823 177.584 -0.136 0.000 1.186 151 A CA 1.292 53.237 52.037 -0.154 0.000 0.624 151 A CB -0.947 17.886 19.000 -0.278 0.000 0.822 151 A HN 0.471 nan 8.150 nan 0.000 0.444 152 L N -0.867 120.292 121.223 -0.106 0.000 1.990 152 L HA -0.275 4.065 4.340 -0.000 0.000 0.213 152 L C 3.169 180.009 176.870 -0.051 0.000 1.072 152 L CA 1.378 56.169 54.840 -0.081 0.000 0.755 152 L CB -0.744 41.302 42.059 -0.021 0.000 0.889 152 L HN 0.475 nan 8.230 nan 0.000 0.432 153 A N -0.230 122.575 122.820 -0.024 0.000 1.865 153 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 153 A C 2.326 179.902 177.584 -0.013 0.000 1.191 153 A CA 2.050 54.082 52.037 -0.009 0.000 0.623 153 A CB -0.975 18.024 19.000 -0.001 0.000 0.826 153 A HN 0.207 nan 8.150 nan 0.000 0.444 154 V N 0.213 120.110 119.914 -0.028 0.000 2.252 154 V HA -0.321 3.799 4.120 -0.000 0.000 0.249 154 V C 2.584 178.671 176.094 -0.012 0.000 1.056 154 V CA 2.173 64.459 62.300 -0.023 0.000 1.022 154 V CB -0.928 30.872 31.823 -0.038 0.000 0.641 154 V HN 0.586 nan 8.190 nan 0.000 0.445 155 L N -0.700 120.502 121.223 -0.035 0.000 2.081 155 L HA -0.288 4.052 4.340 -0.000 0.000 0.212 155 L C 2.702 179.619 176.870 0.079 0.000 1.080 155 L CA 1.784 56.623 54.840 -0.002 0.000 0.754 155 L CB -0.552 41.409 42.059 -0.163 0.000 0.893 155 L HN 0.437 nan 8.230 nan 0.000 0.433 156 Q N -0.554 119.276 119.800 0.050 0.000 2.033 156 Q HA -0.209 4.130 4.340 -0.000 0.000 0.196 156 Q C 2.303 178.329 176.000 0.044 0.000 0.970 156 Q CA 1.565 57.409 55.803 0.068 0.000 0.828 156 Q CB -0.101 28.666 28.738 0.048 0.000 0.895 156 Q HN 0.636 nan 8.270 nan 0.000 0.440 157 Q N 0.528 120.344 119.800 0.026 0.000 2.167 157 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 157 Q C 1.133 177.145 176.000 0.019 0.000 0.970 157 Q CA 1.186 57.001 55.803 0.019 0.000 0.855 157 Q CB -0.122 28.623 28.738 0.012 0.000 0.911 157 Q HN 0.061 nan 8.270 nan 0.000 0.438 158 K N 0.733 121.146 120.400 0.022 0.000 2.410 158 K HA 0.119 4.439 4.320 -0.000 0.000 0.200 158 K C -0.529 176.089 176.600 0.030 0.000 1.023 158 K CA -0.192 56.108 56.287 0.021 0.000 1.149 158 K CB 0.355 32.864 32.500 0.017 0.000 0.859 158 K HN 0.115 nan 8.250 nan 0.000 0.514 159 K N 1.268 121.692 120.400 0.039 0.000 3.602 159 K HA -0.199 4.121 4.320 -0.000 0.000 0.274 159 K C -0.658 175.969 176.600 0.045 0.000 0.864 159 K CA 0.494 56.806 56.287 0.041 0.000 0.682 159 K CB -1.437 31.074 32.500 0.018 0.000 1.576 159 K HN 0.276 nan 8.250 nan 0.000 0.447 160 I N 2.387 123.008 120.570 0.084 0.000 2.352 160 I HA 0.125 4.295 4.170 -0.000 0.000 0.290 160 I C -1.572 174.617 176.117 0.120 0.000 1.036 160 I CA -2.382 58.972 61.300 0.090 0.000 1.336 160 I CB 0.669 38.722 38.000 0.090 0.000 1.407 160 I HN 0.032 nan 8.210 nan 0.000 0.497 161 P HA 0.025 nan 4.420 nan 0.000 0.264 161 P C -1.202 176.125 177.300 0.045 0.000 1.183 161 P CA 0.438 63.518 63.100 -0.034 0.000 0.763 161 P CB 0.183 31.873 31.700 -0.017 0.000 0.807 162 H N -0.610 118.462 119.070 0.003 0.000 3.068 162 H HA 0.611 5.167 4.556 -0.000 0.000 0.342 162 H C -0.066 175.256 175.328 -0.011 0.000 1.284 162 H CA -1.025 55.025 56.048 0.003 0.000 1.181 162 H CB 0.098 29.865 29.762 0.009 0.000 1.898 162 H HN 0.463 nan 8.280 nan 0.000 0.540 163 G N -0.071 108.799 108.800 0.116 0.000 2.489 163 G HA2 0.193 4.153 3.960 -0.000 0.000 0.271 163 G HA3 0.193 4.153 3.960 -0.000 0.000 0.271 163 G C -0.656 174.328 174.900 0.141 0.000 1.427 163 G CA -0.624 44.510 45.100 0.056 0.000 1.057 163 G HN 0.734 nan 8.290 nan 0.000 0.532 164 D N 0.534 120.947 120.400 0.021 0.000 2.401 164 D HA 0.168 4.808 4.640 -0.000 0.000 0.254 164 D C 0.260 176.525 176.300 -0.059 0.000 1.192 164 D CA 0.384 54.378 54.000 -0.011 0.000 0.885 164 D CB 0.795 41.548 40.800 -0.078 0.000 1.147 164 D HN -0.063 nan 8.370 nan 0.000 0.478 165 I N 3.641 124.189 120.570 -0.037 0.000 2.321 165 I HA 0.221 4.391 4.170 -0.000 0.000 0.291 165 I C 0.650 176.701 176.117 -0.109 0.000 0.998 165 I CA -0.612 60.650 61.300 -0.063 0.000 1.227 165 I CB 0.702 38.679 38.000 -0.040 0.000 1.368 165 I HN 0.012 nan 8.210 nan 0.000 0.466 166 R N 5.581 125.951 120.500 -0.216 0.000 2.407 166 R HA 0.696 5.036 4.340 -0.000 0.000 0.303 166 R C -0.569 175.687 176.300 -0.073 0.000 0.981 166 R CA -0.707 55.197 56.100 -0.327 0.000 0.905 166 R CB 2.339 32.076 30.300 -0.938 0.000 1.099 166 R HN 0.499 nan 8.270 nan 0.000 0.459 167 V N -1.619 118.313 119.914 0.031 0.000 2.656 167 V HA 0.948 5.068 4.120 -0.000 0.000 0.307 167 V C -0.520 175.580 176.094 0.010 0.000 1.051 167 V CA -1.068 61.252 62.300 0.033 0.000 0.893 167 V CB 1.871 33.625 31.823 -0.115 0.000 0.999 167 V HN 0.877 nan 8.190 nan 0.000 0.426 168 A N 3.944 126.654 122.820 -0.182 0.000 2.449 168 A HA 0.939 5.259 4.320 -0.000 0.000 0.302 168 A C -1.357 175.895 177.584 -0.554 0.000 1.048 168 A CA -0.509 51.369 52.037 -0.265 0.000 0.708 168 A CB 1.484 20.411 19.000 -0.122 0.000 1.274 168 A HN 0.891 nan 8.150 nan 0.000 0.410 169 F N 1.561 121.531 119.950 0.034 0.000 2.460 169 F HA 0.492 5.019 4.527 -0.000 0.000 0.341 169 F C 0.852 176.637 175.800 -0.024 0.000 1.130 169 F CA -0.398 57.597 58.000 -0.008 0.000 0.962 169 F CB 2.592 41.555 39.000 -0.062 0.000 1.171 169 F HN 0.603 nan 8.300 nan 0.000 0.436 170 T N 0.217 114.876 114.554 0.175 0.000 2.929 170 T HA 0.398 4.748 4.350 -0.000 0.000 0.284 170 T C -2.203 172.522 174.700 0.042 0.000 1.014 170 T CA -2.112 60.046 62.100 0.096 0.000 1.051 170 T CB 2.199 71.137 68.868 0.117 0.000 1.028 170 T HN 0.238 nan 8.240 nan 0.000 0.485 171 P HA 0.164 nan 4.420 nan 0.000 0.216 171 P C 0.099 177.353 177.300 -0.077 0.000 1.154 171 P CA 0.871 63.902 63.100 -0.115 0.000 0.857 171 P CB 0.244 31.810 31.700 -0.223 0.000 0.787 172 D N -0.332 120.027 120.400 -0.067 0.000 2.886 172 D HA 0.043 4.683 4.640 -0.000 0.000 0.355 172 D C 1.131 177.353 176.300 -0.131 0.000 1.274 172 D CA -0.181 53.770 54.000 -0.082 0.000 0.836 172 D CB 0.245 41.010 40.800 -0.060 0.000 1.109 172 D HN 0.066 nan 8.370 nan 0.000 0.488 173 E N 0.693 120.758 120.200 -0.225 0.000 2.077 173 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 173 E C 0.893 177.303 176.600 -0.317 0.000 0.989 173 E CA 0.959 57.136 56.400 -0.371 0.000 0.800 173 E CB 0.499 29.679 29.700 -0.866 0.000 0.746 173 E HN 0.249 nan 8.360 nan 0.000 0.452 174 E N -0.009 120.024 120.200 -0.279 0.000 2.472 174 E HA -0.063 4.287 4.350 -0.000 0.000 0.200 174 E C 1.342 177.861 176.600 -0.135 0.000 1.046 174 E CA 0.369 56.656 56.400 -0.189 0.000 0.871 174 E CB 0.361 29.988 29.700 -0.121 0.000 0.806 174 E HN 0.143 nan 8.360 nan 0.000 0.533 175 V N -0.693 119.152 119.914 -0.116 0.000 3.085 175 V HA 0.276 4.396 4.120 -0.000 0.000 0.345 175 V C 1.243 177.289 176.094 -0.081 0.000 1.397 175 V CA 0.285 62.536 62.300 -0.082 0.000 1.165 175 V CB 0.147 31.936 31.823 -0.056 0.000 1.153 175 V HN 0.245 nan 8.190 nan 0.000 0.495 176 G N 1.775 110.508 108.800 -0.112 0.000 2.175 176 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.265 176 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.265 176 G C 0.775 175.617 174.900 -0.097 0.000 0.979 176 G CA 0.728 45.759 45.100 -0.114 0.000 0.663 176 G HN 0.503 nan 8.290 nan 0.000 0.533 177 K N 0.372 120.724 120.400 -0.081 0.000 2.410 177 K HA 0.244 4.564 4.320 -0.000 0.000 0.200 177 K C 2.049 178.625 176.600 -0.040 0.000 1.023 177 K CA 0.507 56.763 56.287 -0.053 0.000 1.149 177 K CB 0.643 33.134 32.500 -0.015 0.000 0.859 177 K HN 0.339 nan 8.250 nan 0.000 0.514 178 G N 0.654 109.409 108.800 -0.074 0.000 2.848 178 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.208 178 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.208 178 G C 1.125 176.010 174.900 -0.026 0.000 1.152 178 G CA 0.563 45.630 45.100 -0.055 0.000 0.789 178 G HN 0.313 nan 8.290 nan 0.000 0.531 179 A N -0.592 122.198 122.820 -0.050 0.000 2.427 179 A HA 0.381 4.701 4.320 -0.000 0.000 0.225 179 A C 1.986 179.564 177.584 -0.009 0.000 1.257 179 A CA 0.223 52.231 52.037 -0.048 0.000 0.985 179 A CB 0.156 19.077 19.000 -0.132 0.000 1.136 179 A HN 0.085 nan 8.150 nan 0.000 0.538 180 K N 0.312 120.666 120.400 -0.076 0.000 2.009 180 K HA -0.145 4.175 4.320 -0.000 0.000 0.210 180 K C 0.757 177.205 176.600 -0.253 0.000 1.049 180 K CA 1.435 57.593 56.287 -0.215 0.000 0.929 180 K CB -0.275 32.005 32.500 -0.367 0.000 0.714 180 K HN 0.629 nan 8.250 nan 0.000 0.440 181 H N -1.638 117.461 119.070 0.048 0.000 2.520 181 H HA 0.059 4.615 4.556 -0.000 0.000 0.284 181 H C -0.295 175.057 175.328 0.041 0.000 1.037 181 H CA -0.420 55.649 56.048 0.036 0.000 1.168 181 H CB -0.339 29.428 29.762 0.009 0.000 1.497 181 H HN 0.010 nan 8.280 nan 0.000 0.547 182 F N 3.189 123.141 119.950 0.004 0.000 2.519 182 F HA -0.026 4.501 4.527 -0.000 0.000 0.375 182 F C 0.722 176.507 175.800 -0.025 0.000 1.084 182 F CA -0.470 57.500 58.000 -0.049 0.000 1.147 182 F CB 0.398 39.326 39.000 -0.120 0.000 1.088 182 F HN -0.063 nan 8.300 nan 0.000 0.555 183 D N 6.179 126.438 120.400 -0.235 0.000 2.483 183 D HA 0.018 4.658 4.640 -0.000 0.000 0.220 183 D C 1.345 177.627 176.300 -0.030 0.000 1.173 183 D CA -0.009 53.938 54.000 -0.088 0.000 0.964 183 D CB 0.501 41.238 40.800 -0.105 0.000 1.046 183 D HN 0.439 nan 8.370 nan 0.000 0.517 184 V N 1.249 121.272 119.914 0.182 0.000 2.594 184 V HA -0.172 3.948 4.120 -0.000 0.000 0.253 184 V C 1.400 177.614 176.094 0.200 0.000 1.069 184 V CA 1.386 63.862 62.300 0.294 0.000 1.082 184 V CB -0.208 31.774 31.823 0.265 0.000 0.680 184 V HN 0.169 nan 8.190 nan 0.000 0.469 185 D N 1.488 121.956 120.400 0.114 0.000 2.097 185 D HA -0.034 4.606 4.640 -0.000 0.000 0.197 185 D C 2.332 178.666 176.300 0.057 0.000 0.984 185 D CA 2.067 56.111 54.000 0.073 0.000 0.826 185 D CB -0.454 40.375 40.800 0.049 0.000 0.973 185 D HN 0.596 nan 8.370 nan 0.000 0.460 186 A N 0.019 122.866 122.820 0.044 0.000 1.930 186 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 186 A C 2.137 179.750 177.584 0.049 0.000 1.175 186 A CA 0.786 52.835 52.037 0.020 0.000 0.627 186 A CB -1.047 17.945 19.000 -0.013 0.000 0.815 186 A HN 0.285 nan 8.150 nan 0.000 0.443 187 F N 0.441 120.333 119.950 -0.097 0.000 2.216 187 F HA -0.122 4.405 4.527 -0.000 0.000 0.300 187 F C 0.761 176.539 175.800 -0.036 0.000 1.085 187 F CA 1.270 59.226 58.000 -0.072 0.000 1.326 187 F CB 0.046 39.055 39.000 0.014 0.000 1.027 187 F HN 0.366 nan 8.300 nan 0.000 0.497 188 D N 0.757 121.169 120.400 0.019 0.000 2.740 188 D HA -0.217 4.423 4.640 -0.000 0.000 0.231 188 D C -0.688 175.492 176.300 -0.200 0.000 1.194 188 D CA 0.706 54.662 54.000 -0.074 0.000 0.673 188 D CB -0.888 39.860 40.800 -0.087 0.000 0.995 188 D HN 0.401 nan 8.370 nan 0.000 0.411 189 A N 1.421 124.142 122.820 -0.166 0.000 2.374 189 A HA 0.704 5.024 4.320 -0.000 0.000 0.317 189 A C 1.191 178.712 177.584 -0.107 0.000 1.094 189 A CA -0.718 51.172 52.037 -0.246 0.000 0.765 189 A CB 1.408 20.175 19.000 -0.387 0.000 1.268 189 A HN 0.125 nan 8.150 nan 0.000 0.438 190 R N 0.082 120.484 120.500 -0.162 0.000 2.057 190 R HA -0.004 4.336 4.340 -0.000 0.000 0.229 190 R C 0.237 176.595 176.300 0.097 0.000 1.136 190 R CA 1.656 57.747 56.100 -0.015 0.000 0.952 190 R CB -0.639 29.696 30.300 0.059 0.000 0.848 190 R HN 0.862 nan 8.270 nan 0.000 0.430 191 W N -1.405 119.816 121.300 -0.131 0.000 3.060 191 W HA 0.737 5.397 4.660 -0.000 0.000 0.346 191 W C -1.462 174.927 176.519 -0.216 0.000 1.194 191 W CA -1.078 56.149 57.345 -0.197 0.000 1.105 191 W CB 0.837 30.138 29.460 -0.265 0.000 1.487 191 W HN 0.099 nan 8.180 nan 0.000 0.592 192 A N 0.354 123.102 122.820 -0.121 0.000 2.588 192 A HA 0.825 5.144 4.320 -0.000 0.000 0.290 192 A C -2.553 174.762 177.584 -0.449 0.000 1.136 192 A CA -0.968 50.922 52.037 -0.245 0.000 0.681 192 A CB 1.175 20.164 19.000 -0.018 0.000 1.282 192 A HN 0.853 nan 8.150 nan 0.000 0.421 193 Y N 0.084 120.315 120.300 -0.116 0.000 2.386 193 Y HA 0.496 5.046 4.550 -0.000 0.000 0.334 193 Y C 0.579 176.499 175.900 0.034 0.000 1.002 193 Y CA -0.312 57.789 58.100 0.002 0.000 1.068 193 Y CB 2.321 40.821 38.460 0.065 0.000 1.203 193 Y HN 0.725 nan 8.280 nan 0.000 0.443 194 T N -0.531 114.113 114.554 0.151 0.000 2.832 194 T HA 0.411 4.761 4.350 -0.000 0.000 0.296 194 T C -0.189 174.605 174.700 0.156 0.000 0.968 194 T CA -0.724 61.445 62.100 0.115 0.000 1.107 194 T CB 0.829 69.728 68.868 0.052 0.000 0.916 194 T HN 0.358 nan 8.240 nan 0.000 0.517 195 V N 3.585 123.579 119.914 0.133 0.000 2.222 195 V HA 0.281 4.401 4.120 -0.000 0.000 0.253 195 V C 0.352 176.454 176.094 0.013 0.000 1.210 195 V CA -0.114 62.218 62.300 0.054 0.000 1.079 195 V CB -0.330 31.500 31.823 0.012 0.000 1.265 195 V HN 1.030 nan 8.190 nan 0.000 0.494 196 D N 2.208 122.629 120.400 0.035 0.000 2.740 196 D HA 0.267 4.906 4.640 -0.000 0.000 0.305 196 D C 0.741 177.080 176.300 0.066 0.000 1.583 196 D CA 0.312 54.329 54.000 0.028 0.000 0.790 196 D CB 0.678 41.530 40.800 0.086 0.000 1.187 196 D HN 0.483 nan 8.370 nan 0.000 0.447 197 G N -1.219 107.635 108.800 0.090 0.000 2.782 197 G HA2 0.608 4.568 3.960 -0.000 0.000 0.201 197 G HA3 0.608 4.568 3.960 -0.000 0.000 0.201 197 G C 0.601 175.613 174.900 0.187 0.000 1.374 197 G CA -0.051 45.136 45.100 0.144 0.000 1.039 197 G HN 0.163 nan 8.290 nan 0.000 0.576 198 G N -1.085 107.763 108.800 0.080 0.000 3.392 198 G HA2 0.514 4.474 3.960 -0.000 0.000 0.188 198 G HA3 0.514 4.474 3.960 -0.000 0.000 0.188 198 G C 0.668 175.407 174.900 -0.269 0.000 1.485 198 G CA 0.229 45.236 45.100 -0.155 0.000 0.943 198 G HN 0.942 nan 8.290 nan 0.000 0.627 199 G N -1.114 107.401 108.800 -0.476 0.000 2.636 199 G HA2 0.370 4.330 3.960 -0.000 0.000 0.246 199 G HA3 0.370 4.330 3.960 -0.000 0.000 0.246 199 G C 0.021 174.754 174.900 -0.279 0.000 1.216 199 G CA -0.266 44.560 45.100 -0.457 0.000 0.854 199 G HN 0.530 nan 8.290 nan 0.000 0.572 200 V N 1.331 121.042 119.914 -0.338 0.000 2.539 200 V HA 0.350 4.470 4.120 -0.000 0.000 0.300 200 V C 1.629 177.232 176.094 -0.818 0.000 1.019 200 V CA 2.238 64.045 62.300 -0.822 0.000 1.160 200 V CB 0.280 31.858 31.823 -0.408 0.000 0.901 200 V HN 1.817 nan 8.190 nan 0.000 0.481 201 G N 3.804 111.795 108.800 -1.348 0.000 2.213 201 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.226 201 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.226 201 G C 0.132 174.928 174.900 -0.174 0.000 0.992 201 G CA 0.053 44.830 45.100 -0.538 0.000 0.632 201 G HN 0.636 nan 8.290 nan 0.000 0.511 202 E N 0.148 120.280 120.200 -0.113 0.000 2.415 202 E HA 0.436 4.786 4.350 -0.000 0.000 0.263 202 E C -0.514 176.208 176.600 0.204 0.000 0.995 202 E CA -0.004 56.435 56.400 0.065 0.000 0.915 202 E CB 0.975 30.715 29.700 0.066 0.000 0.951 202 E HN 0.342 nan 8.360 nan 0.000 0.449 203 L N 3.273 124.599 121.223 0.171 0.000 2.436 203 L HA 0.332 4.672 4.340 -0.000 0.000 0.268 203 L C -1.499 175.490 176.870 0.198 0.000 0.974 203 L CA -0.257 54.717 54.840 0.224 0.000 0.826 203 L CB 1.974 44.178 42.059 0.242 0.000 1.291 203 L HN 0.455 nan 8.230 nan 0.000 0.406 204 E N 5.047 125.366 120.200 0.198 0.000 2.241 204 E HA 0.364 4.714 4.350 -0.000 0.000 0.263 204 E C -1.001 175.709 176.600 0.185 0.000 0.882 204 E CA -0.279 56.184 56.400 0.105 0.000 0.769 204 E CB 1.483 31.201 29.700 0.031 0.000 1.185 204 E HN 0.607 nan 8.360 nan 0.000 0.415 205 F N -0.465 119.507 119.950 0.037 0.000 2.781 205 F HA 0.438 4.965 4.527 -0.000 0.000 0.322 205 F C -0.113 175.716 175.800 0.047 0.000 1.108 205 F CA -0.603 57.414 58.000 0.029 0.000 1.179 205 F CB 0.536 39.541 39.000 0.008 0.000 1.072 205 F HN 0.140 nan 8.300 nan 0.000 0.545 206 E N 2.249 122.251 120.200 -0.331 0.000 2.266 206 E HA 0.404 4.754 4.350 -0.000 0.000 0.268 206 E C -0.828 175.784 176.600 0.020 0.000 0.879 206 E CA -1.029 55.269 56.400 -0.170 0.000 0.762 206 E CB 1.868 31.354 29.700 -0.357 0.000 1.199 206 E HN 0.322 nan 8.360 nan 0.000 0.422 207 N N 1.732 120.562 118.700 0.216 0.000 2.647 207 N HA 0.320 5.060 4.740 -0.000 0.000 0.266 207 N C -0.986 174.672 175.510 0.246 0.000 1.373 207 N CA -0.753 52.441 53.050 0.241 0.000 0.807 207 N CB 0.896 39.466 38.487 0.137 0.000 1.513 207 N HN 0.299 nan 8.380 nan 0.000 0.505 208 F N 0.371 120.275 119.950 -0.077 0.000 2.496 208 F HA 0.111 4.638 4.527 -0.000 0.000 0.344 208 F C 1.283 176.931 175.800 -0.253 0.000 1.155 208 F CA -0.374 57.366 58.000 -0.434 0.000 1.302 208 F CB 0.551 39.278 39.000 -0.455 0.000 1.159 208 F HN 0.188 nan 8.300 nan 0.000 0.595 209 N N 1.857 120.416 118.700 -0.235 0.000 2.514 209 N HA 0.432 5.172 4.740 -0.000 0.000 0.277 209 N C -0.784 174.197 175.510 -0.881 0.000 1.126 209 N CA -0.170 52.457 53.050 -0.704 0.000 0.978 209 N CB 1.630 39.368 38.487 -1.248 0.000 1.106 209 N HN 0.550 nan 8.380 nan 0.000 0.461 210 A N 1.022 123.304 122.820 -0.896 0.000 2.365 210 A HA 0.858 5.178 4.320 -0.000 0.000 0.318 210 A C -0.936 176.574 177.584 -0.124 0.000 1.091 210 A CA -0.599 51.056 52.037 -0.636 0.000 0.763 210 A CB 1.447 19.609 19.000 -1.396 0.000 1.248 210 A HN 0.680 nan 8.150 nan 0.000 0.442 211 A N 0.944 123.787 122.820 0.038 0.000 2.574 211 A HA 0.759 5.079 4.320 -0.000 0.000 0.297 211 A C -0.191 177.385 177.584 -0.014 0.000 1.062 211 A CA 0.061 52.109 52.037 0.019 0.000 0.686 211 A CB 1.060 20.064 19.000 0.006 0.000 1.285 211 A HN 1.995 nan 8.150 nan 0.000 0.403 212 S N 0.374 116.075 115.700 0.002 0.000 2.525 212 S HA 0.632 5.102 4.470 -0.000 0.000 0.278 212 S C -0.451 174.176 174.600 0.047 0.000 1.234 212 S CA -0.557 57.671 58.200 0.047 0.000 1.058 212 S CB 1.243 64.477 63.200 0.058 0.000 0.983 212 S HN 1.105 nan 8.310 nan 0.000 0.495 213 V N 3.983 123.954 119.914 0.095 0.000 2.304 213 V HA 0.369 4.489 4.120 -0.000 0.000 0.278 213 V C -0.412 175.761 176.094 0.131 0.000 1.018 213 V CA -0.795 61.553 62.300 0.080 0.000 0.814 213 V CB 0.500 32.352 31.823 0.049 0.000 1.021 213 V HN 0.895 nan 8.190 nan 0.000 0.440 214 N N 5.572 124.322 118.700 0.083 0.000 2.419 214 N HA 0.571 5.311 4.740 -0.000 0.000 0.277 214 N C -0.855 174.669 175.510 0.023 0.000 1.006 214 N CA -0.324 52.763 53.050 0.062 0.000 0.923 214 N CB 2.609 41.146 38.487 0.082 0.000 1.140 214 N HN 0.507 nan 8.380 nan 0.000 0.488 215 I N 1.584 122.147 120.570 -0.012 0.000 2.355 215 I HA 0.240 4.410 4.170 -0.000 0.000 0.288 215 I C 0.303 176.391 176.117 -0.048 0.000 0.999 215 I CA -0.654 60.640 61.300 -0.009 0.000 1.163 215 I CB 1.630 39.648 38.000 0.030 0.000 1.316 215 I HN 0.175 nan 8.210 nan 0.000 0.454 216 K N 7.902 128.291 120.400 -0.019 0.000 2.213 216 K HA 0.629 4.949 4.320 -0.000 0.000 0.270 216 K C -1.253 175.307 176.600 -0.067 0.000 1.002 216 K CA -0.486 55.781 56.287 -0.034 0.000 0.868 216 K CB 1.207 33.716 32.500 0.016 0.000 1.093 216 K HN 0.593 nan 8.250 nan 0.000 0.454 217 I N 4.363 124.864 120.570 -0.116 0.000 2.418 217 I HA 0.211 4.381 4.170 -0.000 0.000 0.287 217 I C -0.713 175.256 176.117 -0.246 0.000 1.008 217 I CA -1.102 60.097 61.300 -0.167 0.000 1.104 217 I CB 2.080 40.018 38.000 -0.103 0.000 1.264 217 I HN 0.201 nan 8.210 nan 0.000 0.438 218 V N 5.729 125.380 119.914 -0.439 0.000 2.347 218 V HA 0.612 4.732 4.120 -0.000 0.000 0.280 218 V C 0.684 176.615 176.094 -0.273 0.000 1.021 218 V CA -0.265 61.779 62.300 -0.426 0.000 0.847 218 V CB 1.115 32.487 31.823 -0.752 0.000 0.990 218 V HN 0.905 nan 8.190 nan 0.000 0.444 219 G N 3.327 112.032 108.800 -0.158 0.000 2.705 219 G HA2 0.479 4.439 3.960 -0.000 0.000 0.299 219 G HA3 0.479 4.439 3.960 -0.000 0.000 0.299 219 G C -0.855 174.001 174.900 -0.075 0.000 1.315 219 G CA -0.695 44.346 45.100 -0.099 0.000 1.045 219 G HN 0.600 nan 8.290 nan 0.000 0.517 220 N N -0.214 118.453 118.700 -0.056 0.000 2.399 220 N HA 0.213 4.953 4.740 -0.000 0.000 0.280 220 N C -1.127 174.356 175.510 -0.045 0.000 1.008 220 N CA -0.645 52.375 53.050 -0.049 0.000 0.894 220 N CB 1.284 39.741 38.487 -0.050 0.000 1.273 220 N HN 0.514 nan 8.380 nan 0.000 0.486 221 N N 3.738 122.412 118.700 -0.043 0.000 2.442 221 N HA 0.453 5.193 4.740 -0.000 0.000 0.274 221 N C -0.917 174.565 175.510 -0.047 0.000 1.002 221 N CA -0.494 52.535 53.050 -0.036 0.000 0.910 221 N CB 1.210 39.680 38.487 -0.028 0.000 1.244 221 N HN 0.330 nan 8.380 nan 0.000 0.492 222 V N 0.759 120.648 119.914 -0.041 0.000 3.182 222 V HA 0.507 4.627 4.120 -0.000 0.000 0.311 222 V C 0.032 176.129 176.094 0.005 0.000 1.221 222 V CA -0.829 61.430 62.300 -0.068 0.000 1.060 222 V CB 0.883 32.667 31.823 -0.064 0.000 1.164 222 V HN 0.645 nan 8.190 nan 0.000 0.466 223 H N 2.140 121.201 119.070 -0.015 0.000 3.107 223 H HA 0.136 4.692 4.556 -0.000 0.000 0.301 223 H C -1.533 173.787 175.328 -0.014 0.000 0.981 223 H CA -0.789 55.251 56.048 -0.013 0.000 1.443 223 H CB 0.959 30.714 29.762 -0.011 0.000 1.479 223 H HN 0.568 nan 8.280 nan 0.000 0.564 224 P HA -0.203 nan 4.420 nan 0.000 0.218 224 P C 1.645 178.966 177.300 0.035 0.000 1.146 224 P CA 1.479 64.608 63.100 0.047 0.000 0.820 224 P CB 0.069 31.784 31.700 0.026 0.000 0.778 225 G N -0.300 108.522 108.800 0.038 0.000 2.422 225 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.218 225 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.218 225 G C 1.130 176.046 174.900 0.026 0.000 1.140 225 G CA 1.414 46.526 45.100 0.020 0.000 0.775 225 G HN 0.431 nan 8.290 nan 0.000 0.545 226 T N -2.193 112.388 114.554 0.046 0.000 3.214 226 T HA 0.625 4.975 4.350 -0.000 0.000 0.264 226 T C 1.877 176.588 174.700 0.017 0.000 1.012 226 T CA 0.640 62.759 62.100 0.031 0.000 0.901 226 T CB 1.035 69.928 68.868 0.043 0.000 1.070 226 T HN 0.207 nan 8.240 nan 0.000 0.561 227 A N 1.482 124.312 122.820 0.016 0.000 2.014 227 A HA 0.157 4.477 4.320 -0.000 0.000 0.218 227 A C 1.347 178.926 177.584 -0.009 0.000 1.163 227 A CA 0.421 52.459 52.037 0.003 0.000 0.652 227 A CB -0.431 18.572 19.000 0.006 0.000 0.808 227 A HN 0.537 nan 8.150 nan 0.000 0.449 228 K N 0.237 120.633 120.400 -0.006 0.000 2.511 228 K HA 0.171 4.491 4.320 -0.000 0.000 0.277 228 K C 1.048 177.638 176.600 -0.018 0.000 1.025 228 K CA 1.100 57.381 56.287 -0.009 0.000 1.112 228 K CB -0.540 31.957 32.500 -0.005 0.000 0.859 228 K HN 0.961 nan 8.250 nan 0.000 0.485 229 G N 2.082 110.869 108.800 -0.021 0.000 2.212 229 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.267 229 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.267 229 G C 0.394 175.258 174.900 -0.060 0.000 1.002 229 G CA 0.396 45.477 45.100 -0.032 0.000 0.729 229 G HN 0.481 nan 8.290 nan 0.000 0.517 230 V N -0.699 119.179 119.914 -0.059 0.000 3.261 230 V HA 0.401 4.521 4.120 -0.000 0.000 0.212 230 V C 1.284 177.334 176.094 -0.073 0.000 1.381 230 V CA 0.930 63.183 62.300 -0.078 0.000 1.322 230 V CB 0.048 31.837 31.823 -0.057 0.000 1.188 230 V HN 0.476 nan 8.190 nan 0.000 0.520 231 M N 2.165 121.737 119.600 -0.048 0.000 2.246 231 M HA 0.307 4.787 4.480 -0.000 0.000 0.350 231 M C -1.260 175.017 176.300 -0.039 0.000 1.406 231 M CA 0.575 55.851 55.300 -0.039 0.000 1.089 231 M CB 0.893 33.480 32.600 -0.023 0.000 1.782 231 M HN 0.110 nan 8.290 nan 0.000 0.457 232 V N 6.100 125.990 119.914 -0.041 0.000 2.350 232 V HA 0.259 4.379 4.120 -0.000 0.000 0.285 232 V C -0.063 176.010 176.094 -0.034 0.000 1.014 232 V CA -0.939 61.340 62.300 -0.034 0.000 0.831 232 V CB 1.281 33.084 31.823 -0.033 0.000 1.000 232 V HN 0.802 nan 8.190 nan 0.000 0.433 233 N N 3.533 122.217 118.700 -0.027 0.000 2.406 233 N HA 0.293 5.033 4.740 -0.000 0.000 0.251 233 N C 0.997 176.487 175.510 -0.033 0.000 1.069 233 N CA 0.320 53.354 53.050 -0.028 0.000 0.947 233 N CB 1.985 40.460 38.487 -0.019 0.000 1.111 233 N HN 0.742 nan 8.380 nan 0.000 0.497 234 A N 4.547 127.340 122.820 -0.044 0.000 2.019 234 A HA -0.083 4.237 4.320 -0.000 0.000 0.219 234 A C 2.031 179.589 177.584 -0.042 0.000 1.164 234 A CA 1.016 53.020 52.037 -0.054 0.000 0.644 234 A CB -0.254 18.704 19.000 -0.071 0.000 0.805 234 A HN 0.750 nan 8.150 nan 0.000 0.449 235 L N -1.013 120.189 121.223 -0.034 0.000 2.179 235 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 235 L C 2.689 179.548 176.870 -0.019 0.000 1.096 235 L CA 1.036 55.859 54.840 -0.029 0.000 0.779 235 L CB -0.309 41.733 42.059 -0.029 0.000 0.922 235 L HN 0.280 nan 8.230 nan 0.000 0.443 236 S N 0.263 115.953 115.700 -0.016 0.000 2.383 236 S HA -0.066 4.404 4.470 -0.000 0.000 0.227 236 S C 1.976 176.574 174.600 -0.003 0.000 1.026 236 S CA 1.060 59.255 58.200 -0.007 0.000 0.981 236 S CB -0.177 63.018 63.200 -0.007 0.000 0.818 236 S HN 0.282 nan 8.310 nan 0.000 0.472 237 L N 1.194 122.412 121.223 -0.009 0.000 2.093 237 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 237 L C 2.785 179.658 176.870 0.004 0.000 1.085 237 L CA 1.113 55.949 54.840 -0.006 0.000 0.755 237 L CB -0.747 41.302 42.059 -0.017 0.000 0.904 237 L HN 0.298 nan 8.230 nan 0.000 0.435 238 A N 0.285 123.105 122.820 0.000 0.000 1.940 238 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 238 A C 2.514 180.129 177.584 0.051 0.000 1.176 238 A CA 1.878 53.925 52.037 0.017 0.000 0.631 238 A CB -0.639 18.352 19.000 -0.014 0.000 0.814 238 A HN 0.410 nan 8.150 nan 0.000 0.446 239 A N -0.739 122.102 122.820 0.036 0.000 1.968 239 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 239 A C 2.236 179.865 177.584 0.074 0.000 1.169 239 A CA 1.065 53.139 52.037 0.062 0.000 0.638 239 A CB -0.363 18.657 19.000 0.032 0.000 0.812 239 A HN 0.497 nan 8.150 nan 0.000 0.446 240 R N -0.588 119.936 120.500 0.040 0.000 2.066 240 R HA -0.041 4.299 4.340 -0.000 0.000 0.232 240 R C 1.989 178.300 176.300 0.018 0.000 1.131 240 R CA 1.465 57.578 56.100 0.021 0.000 0.955 240 R CB -0.574 29.729 30.300 0.006 0.000 0.851 240 R HN 0.544 nan 8.270 nan 0.000 0.432 241 I N -0.230 120.357 120.570 0.029 0.000 2.091 241 I HA -0.348 3.822 4.170 -0.000 0.000 0.239 241 I C 2.520 178.659 176.117 0.038 0.000 1.061 241 I CA 1.759 63.066 61.300 0.012 0.000 1.317 241 I CB -0.371 37.648 38.000 0.032 0.000 1.031 241 I HN 0.203 nan 8.210 nan 0.000 0.401 242 H N 0.643 119.735 119.070 0.037 0.000 2.422 242 H HA -0.142 4.414 4.556 -0.000 0.000 0.298 242 H C 2.067 177.406 175.328 0.018 0.000 1.098 242 H CA 1.576 57.674 56.048 0.083 0.000 1.315 242 H CB -0.056 29.765 29.762 0.098 0.000 1.382 242 H HN 0.361 nan 8.280 nan 0.000 0.523 243 A N 0.554 123.377 122.820 0.005 0.000 1.933 243 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 243 A C 2.136 179.657 177.584 -0.104 0.000 1.175 243 A CA 1.653 53.658 52.037 -0.053 0.000 0.628 243 A CB -0.157 18.840 19.000 -0.005 0.000 0.814 243 A HN 0.452 nan 8.150 nan 0.000 0.444 244 E N -0.032 120.103 120.200 -0.109 0.000 2.358 244 E HA 0.026 4.376 4.350 -0.000 0.000 0.195 244 E C 0.260 176.734 176.600 -0.211 0.000 1.010 244 E CA 0.136 56.456 56.400 -0.134 0.000 0.856 244 E CB -0.416 29.212 29.700 -0.118 0.000 0.795 244 E HN 0.315 nan 8.360 nan 0.000 0.504 245 V N 4.143 123.891 119.914 -0.277 0.000 2.479 245 V HA 0.034 4.154 4.120 -0.000 0.000 0.281 245 V C -2.136 173.782 176.094 -0.293 0.000 1.031 245 V CA -1.198 60.864 62.300 -0.398 0.000 1.038 245 V CB 0.289 31.875 31.823 -0.393 0.000 0.981 245 V HN -0.023 nan 8.190 nan 0.000 0.478 246 P HA -0.018 nan 4.420 nan 0.000 0.250 246 P C 0.722 178.024 177.300 0.004 0.000 1.161 246 P CA 0.423 63.479 63.100 -0.073 0.000 0.863 246 P CB 0.354 32.079 31.700 0.042 0.000 0.827 247 A N 4.522 127.327 122.820 -0.025 0.000 2.024 247 A HA -0.204 4.116 4.320 -0.000 0.000 0.220 247 A C 1.857 179.476 177.584 0.058 0.000 1.164 247 A CA 1.777 53.815 52.037 0.002 0.000 0.643 247 A CB -0.649 18.340 19.000 -0.017 0.000 0.806 247 A HN 0.553 nan 8.150 nan 0.000 0.451 248 D N -0.105 120.335 120.400 0.067 0.000 2.317 248 D HA -0.096 4.544 4.640 -0.000 0.000 0.211 248 D C 0.347 176.721 176.300 0.124 0.000 0.966 248 D CA 0.646 54.695 54.000 0.082 0.000 0.876 248 D CB -0.358 40.484 40.800 0.069 0.000 0.927 248 D HN 0.569 nan 8.370 nan 0.000 0.519 249 E N 1.018 121.323 120.200 0.174 0.000 2.280 249 E HA 0.186 4.536 4.350 -0.000 0.000 0.279 249 E C -0.405 176.383 176.600 0.314 0.000 1.325 249 E CA -0.371 56.178 56.400 0.248 0.000 1.486 249 E CB 0.508 30.390 29.700 0.303 0.000 1.466 249 E HN 0.248 nan 8.360 nan 0.000 0.473 250 S N -0.977 114.849 115.700 0.210 0.000 2.600 250 S HA 0.430 4.900 4.470 -0.000 0.000 0.300 250 S C -2.248 172.298 174.600 -0.090 0.000 1.087 250 S CA -1.703 56.582 58.200 0.141 0.000 0.965 250 S CB 2.117 65.388 63.200 0.119 0.000 1.089 250 S HN -0.154 nan 8.310 nan 0.000 0.496 251 P HA -0.095 nan 4.420 nan 0.000 0.218 251 P C 0.819 177.944 177.300 -0.293 0.000 1.148 251 P CA 1.318 63.935 63.100 -0.804 0.000 0.822 251 P CB -0.043 30.990 31.700 -1.112 0.000 0.784 252 E N -1.117 118.991 120.200 -0.155 0.000 2.118 252 E HA -0.099 4.251 4.350 -0.000 0.000 0.195 252 E C 1.700 178.290 176.600 -0.017 0.000 0.992 252 E CA 1.184 57.549 56.400 -0.058 0.000 0.804 252 E CB -0.583 29.111 29.700 -0.010 0.000 0.741 252 E HN 0.283 nan 8.360 nan 0.000 0.458 253 M N -0.192 119.410 119.600 0.004 0.000 2.356 253 M HA 0.165 4.645 4.480 -0.000 0.000 0.262 253 M C 0.261 176.602 176.300 0.069 0.000 1.097 253 M CA 0.174 55.498 55.300 0.041 0.000 0.991 253 M CB 0.998 33.631 32.600 0.054 0.000 1.450 253 M HN -0.100 nan 8.290 nan 0.000 0.495 254 T N 0.683 115.281 114.554 0.073 0.000 2.912 254 T HA 0.494 4.844 4.350 -0.000 0.000 0.288 254 T C -0.954 173.839 174.700 0.155 0.000 1.030 254 T CA -0.303 61.886 62.100 0.148 0.000 1.020 254 T CB 2.592 71.608 68.868 0.246 0.000 1.056 254 T HN 0.287 nan 8.240 nan 0.000 0.480 255 E N 0.981 121.291 120.200 0.183 0.000 2.446 255 E HA 0.605 4.955 4.350 -0.000 0.000 0.267 255 E C 1.022 177.721 176.600 0.164 0.000 0.955 255 E CA -0.172 56.316 56.400 0.146 0.000 0.842 255 E CB 1.227 30.988 29.700 0.101 0.000 1.504 255 E HN 0.825 nan 8.360 nan 0.000 0.438 256 G N 0.427 109.268 108.800 0.068 0.000 2.678 256 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.362 256 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.362 256 G C 0.628 175.477 174.900 -0.085 0.000 1.169 256 G CA 1.508 46.578 45.100 -0.050 0.000 0.933 256 G HN 0.604 nan 8.290 nan 0.000 0.587 257 Y N 2.991 123.357 120.300 0.110 0.000 2.457 257 Y HA 0.308 4.858 4.550 -0.000 0.000 0.263 257 Y C 1.321 177.495 175.900 0.456 0.000 1.164 257 Y CA 0.672 58.879 58.100 0.179 0.000 1.274 257 Y CB 0.312 38.742 38.460 -0.051 0.000 1.097 257 Y HN 0.498 nan 8.280 nan 0.000 0.523 258 E N 0.468 120.943 120.200 0.458 0.000 2.180 258 E HA 0.369 4.719 4.350 -0.000 0.000 0.283 258 E C 0.672 177.500 176.600 0.380 0.000 1.061 258 E CA -0.368 56.248 56.400 0.361 0.000 0.861 258 E CB 1.062 30.916 29.700 0.257 0.000 1.056 258 E HN 0.230 nan 8.360 nan 0.000 0.407 259 G N 2.978 111.920 108.800 0.237 0.000 2.611 259 G HA2 0.432 4.391 3.960 -0.000 0.000 0.273 259 G HA3 0.432 4.391 3.960 -0.000 0.000 0.273 259 G C -0.534 174.352 174.900 -0.023 0.000 1.305 259 G CA -0.550 44.516 45.100 -0.056 0.000 1.010 259 G HN 0.636 nan 8.290 nan 0.000 0.509 260 F N -3.342 116.450 119.950 -0.263 0.000 2.719 260 F HA 0.616 5.143 4.527 -0.000 0.000 0.309 260 F C -1.823 173.809 175.800 -0.280 0.000 1.138 260 F CA -1.969 55.925 58.000 -0.177 0.000 0.943 260 F CB 1.027 40.008 39.000 -0.032 0.000 1.304 260 F HN 0.437 nan 8.300 nan 0.000 0.445 261 Y N 0.534 121.023 120.300 0.315 0.000 2.376 261 Y HA 0.633 5.183 4.550 -0.000 0.000 0.325 261 Y C -0.315 175.906 175.900 0.535 0.000 1.199 261 Y CA -0.623 57.669 58.100 0.319 0.000 1.206 261 Y CB 1.270 39.834 38.460 0.172 0.000 1.229 261 Y HN 0.852 nan 8.280 nan 0.000 0.480 262 H N 1.724 121.140 119.070 0.576 0.000 3.042 262 H HA 0.382 4.938 4.556 -0.000 0.000 0.345 262 H C -2.181 173.282 175.328 0.225 0.000 1.052 262 H CA -0.951 55.318 56.048 0.368 0.000 1.311 262 H CB 1.153 31.092 29.762 0.296 0.000 1.810 262 H HN 0.632 nan 8.280 nan 0.000 0.505 263 L N 5.263 126.218 121.223 -0.448 0.000 2.268 263 L HA 0.592 4.932 4.340 -0.000 0.000 0.289 263 L C 0.524 176.910 176.870 -0.806 0.000 1.064 263 L CA 0.590 54.955 54.840 -0.792 0.000 0.824 263 L CB 0.149 41.756 42.059 -0.752 0.000 1.202 263 L HN 0.872 nan 8.230 nan 0.000 0.433 264 A N 3.384 125.861 122.820 -0.571 0.000 1.911 264 A HA 0.308 4.628 4.320 -0.000 0.000 0.212 264 A C 0.804 178.298 177.584 -0.150 0.000 1.189 264 A CA 1.021 52.877 52.037 -0.302 0.000 0.639 264 A CB -0.228 18.746 19.000 -0.043 0.000 0.839 264 A HN 0.781 nan 8.150 nan 0.000 0.449 265 S N -1.878 113.768 115.700 -0.090 0.000 2.570 265 S HA 0.688 5.158 4.470 -0.000 0.000 0.270 265 S C -0.694 173.979 174.600 0.122 0.000 1.149 265 S CA -0.149 58.053 58.200 0.003 0.000 0.837 265 S CB 1.286 64.471 63.200 -0.025 0.000 1.124 265 S HN 1.170 nan 8.310 nan 0.000 0.465 266 M N 0.590 120.217 119.600 0.045 0.000 2.578 266 M HA 0.768 5.248 4.480 -0.000 0.000 0.276 266 M C -1.995 174.310 176.300 0.009 0.000 1.245 266 M CA -0.440 54.853 55.300 -0.010 0.000 0.871 266 M CB 2.247 34.767 32.600 -0.133 0.000 1.722 266 M HN 0.845 nan 8.290 nan 0.000 0.473 267 K N 1.372 121.770 120.400 -0.003 0.000 2.546 267 K HA 0.852 5.172 4.320 -0.000 0.000 0.264 267 K C -1.578 175.007 176.600 -0.024 0.000 0.937 267 K CA -0.362 55.925 56.287 0.001 0.000 0.833 267 K CB 2.588 35.111 32.500 0.039 0.000 1.378 267 K HN 1.180 nan 8.250 nan 0.000 0.432 268 G N 0.782 109.567 108.800 -0.025 0.000 2.368 268 G HA2 0.428 4.388 3.960 -0.000 0.000 0.293 268 G HA3 0.428 4.388 3.960 -0.000 0.000 0.293 268 G C -1.075 173.809 174.900 -0.027 0.000 1.467 268 G CA -0.272 44.809 45.100 -0.032 0.000 0.804 268 G HN 0.685 nan 8.290 nan 0.000 0.535 269 T N -3.295 111.242 114.554 -0.030 0.000 2.626 269 T HA 0.590 4.940 4.350 -0.000 0.000 0.279 269 T C 1.109 175.790 174.700 -0.031 0.000 0.983 269 T CA 0.262 62.347 62.100 -0.025 0.000 1.059 269 T CB 1.080 69.936 68.868 -0.020 0.000 1.396 269 T HN 0.791 nan 8.240 nan 0.000 0.519 270 V N 1.449 121.347 119.914 -0.026 0.000 2.515 270 V HA -0.084 4.036 4.120 -0.000 0.000 0.250 270 V C 2.568 178.637 176.094 -0.042 0.000 1.058 270 V CA 2.147 64.429 62.300 -0.030 0.000 1.064 270 V CB -1.172 30.638 31.823 -0.021 0.000 0.675 270 V HN 0.889 nan 8.190 nan 0.000 0.461 271 E N 0.221 120.396 120.200 -0.042 0.000 2.112 271 E HA 0.004 4.354 4.350 -0.000 0.000 0.190 271 E C 1.343 177.899 176.600 -0.073 0.000 0.979 271 E CA 0.416 56.785 56.400 -0.053 0.000 0.814 271 E CB 0.249 29.925 29.700 -0.041 0.000 0.762 271 E HN 0.336 nan 8.360 nan 0.000 0.460 272 R N 0.226 120.687 120.500 -0.065 0.000 2.522 272 R HA 0.556 4.896 4.340 -0.000 0.000 0.273 272 R C -2.041 174.221 176.300 -0.064 0.000 1.133 272 R CA -0.277 55.776 56.100 -0.078 0.000 0.969 272 R CB 1.948 32.208 30.300 -0.067 0.000 1.235 272 R HN 0.112 nan 8.270 nan 0.000 0.433 273 A N 3.210 125.984 122.820 -0.076 0.000 2.374 273 A HA 0.661 4.981 4.320 -0.000 0.000 0.317 273 A C -1.510 176.022 177.584 -0.086 0.000 1.094 273 A CA -0.716 51.279 52.037 -0.070 0.000 0.765 273 A CB 1.652 20.613 19.000 -0.066 0.000 1.268 273 A HN 0.719 nan 8.150 nan 0.000 0.438 274 D N 0.908 121.246 120.400 -0.104 0.000 2.787 274 D HA 0.597 5.237 4.640 -0.000 0.000 0.246 274 D C -0.721 175.372 176.300 -0.346 0.000 1.150 274 D CA -0.048 53.841 54.000 -0.185 0.000 0.864 274 D CB 1.709 42.424 40.800 -0.142 0.000 1.481 274 D HN 0.485 nan 8.370 nan 0.000 0.509 275 M N 1.531 120.893 119.600 -0.396 0.000 2.393 275 M HA 0.416 4.896 4.480 -0.000 0.000 0.316 275 M C -1.213 174.770 176.300 -0.527 0.000 1.087 275 M CA -0.760 54.306 55.300 -0.390 0.000 0.937 275 M CB 1.873 34.436 32.600 -0.063 0.000 1.668 275 M HN 0.402 nan 8.290 nan 0.000 0.438 276 H N 1.779 120.783 119.070 -0.110 0.000 2.725 276 H HA 0.421 4.977 4.556 -0.000 0.000 0.283 276 H C -1.623 173.616 175.328 -0.149 0.000 1.110 276 H CA -0.368 55.641 56.048 -0.065 0.000 1.289 276 H CB 0.236 29.963 29.762 -0.057 0.000 1.400 276 H HN 0.454 nan 8.280 nan 0.000 0.493 277 Y N 2.292 122.632 120.300 0.066 0.000 2.352 277 Y HA 0.341 4.891 4.550 -0.000 0.000 0.326 277 Y C 0.763 176.721 175.900 0.097 0.000 1.166 277 Y CA -1.075 57.068 58.100 0.071 0.000 1.182 277 Y CB 1.129 39.633 38.460 0.074 0.000 1.216 277 Y HN 0.533 nan 8.280 nan 0.000 0.474 278 I N 0.643 121.393 120.570 0.300 0.000 2.693 278 I HA 0.695 4.865 4.170 -0.000 0.000 0.303 278 I C -1.206 175.018 176.117 0.177 0.000 1.025 278 I CA -0.861 60.571 61.300 0.219 0.000 1.086 278 I CB 2.190 40.332 38.000 0.237 0.000 1.268 278 I HN 0.439 nan 8.210 nan 0.000 0.440 279 I N 4.163 124.726 120.570 -0.012 0.000 2.498 279 I HA 0.534 4.704 4.170 -0.000 0.000 0.290 279 I C -0.742 175.149 176.117 -0.377 0.000 1.032 279 I CA -0.751 60.434 61.300 -0.191 0.000 1.073 279 I CB 1.662 39.549 38.000 -0.189 0.000 1.251 279 I HN 0.572 nan 8.210 nan 0.000 0.426 280 R N 4.484 124.496 120.500 -0.814 0.000 2.538 280 R HA 0.528 4.868 4.340 -0.000 0.000 0.292 280 R C -1.596 174.004 176.300 -1.167 0.000 1.008 280 R CA -0.786 54.527 56.100 -1.312 0.000 0.896 280 R CB 2.176 30.980 30.300 -2.494 0.000 1.187 280 R HN 0.561 nan 8.270 nan 0.000 0.440 281 D N 2.106 122.076 120.400 -0.716 0.000 2.937 281 D HA 0.180 4.819 4.640 -0.000 0.000 0.215 281 D C 0.368 176.652 176.300 -0.027 0.000 1.274 281 D CA -0.363 53.475 54.000 -0.269 0.000 0.869 281 D CB 1.385 42.155 40.800 -0.051 0.000 1.675 281 D HN 0.210 nan 8.370 nan 0.000 0.538 282 F N 0.572 120.724 119.950 0.338 0.000 2.113 282 F HA -0.088 4.439 4.527 -0.000 0.000 0.297 282 F C 1.635 177.504 175.800 0.115 0.000 1.103 282 F CA 0.712 58.850 58.000 0.230 0.000 1.248 282 F CB 0.159 39.311 39.000 0.253 0.000 0.999 282 F HN 0.258 nan 8.300 nan 0.000 0.475 283 D N 0.152 120.723 120.400 0.283 0.000 2.350 283 D HA 0.009 4.649 4.640 -0.000 0.000 0.249 283 D C 1.126 177.502 176.300 0.126 0.000 1.119 283 D CA -0.087 54.012 54.000 0.165 0.000 0.886 283 D CB 1.326 42.209 40.800 0.139 0.000 1.195 283 D HN -0.047 nan 8.370 nan 0.000 0.437 284 R N 3.365 123.924 120.500 0.098 0.000 2.093 284 R HA -0.026 4.314 4.340 -0.000 0.000 0.224 284 R C 1.882 178.275 176.300 0.156 0.000 1.101 284 R CA 1.312 57.480 56.100 0.114 0.000 0.979 284 R CB 0.052 30.380 30.300 0.046 0.000 0.877 284 R HN 0.391 nan 8.270 nan 0.000 0.441 285 K N -0.215 120.242 120.400 0.095 0.000 2.057 285 K HA -0.124 4.196 4.320 -0.000 0.000 0.207 285 K C 2.136 178.777 176.600 0.068 0.000 1.049 285 K CA 1.543 57.871 56.287 0.069 0.000 0.931 285 K CB -0.000 32.527 32.500 0.045 0.000 0.714 285 K HN 0.161 nan 8.250 nan 0.000 0.440 286 Q N -0.203 119.645 119.800 0.080 0.000 2.084 286 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 286 Q C 2.022 178.049 176.000 0.045 0.000 0.978 286 Q CA 1.442 57.278 55.803 0.055 0.000 0.844 286 Q CB -0.298 28.476 28.738 0.060 0.000 0.898 286 Q HN 0.353 nan 8.270 nan 0.000 0.426 287 F N 2.183 122.082 119.950 -0.085 0.000 2.063 287 F HA -0.286 4.241 4.527 0.000 0.000 0.298 287 F C 2.139 177.885 175.800 -0.091 0.000 1.109 287 F CA 1.517 59.443 58.000 -0.123 0.000 1.212 287 F CB 0.212 39.159 39.000 -0.089 0.000 0.973 287 F HN 0.061 nan 8.300 nan 0.000 0.480 288 E N 0.616 120.775 120.200 -0.068 0.000 2.072 288 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 288 E C 2.390 178.917 176.600 -0.121 0.000 0.985 288 E CA 1.053 57.361 56.400 -0.153 0.000 0.801 288 E CB -0.890 28.791 29.700 -0.031 0.000 0.750 288 E HN 0.529 nan 8.360 nan 0.000 0.452 289 A N 1.677 124.463 122.820 -0.057 0.000 1.940 289 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 289 A C 2.197 179.764 177.584 -0.028 0.000 1.176 289 A CA 1.380 53.399 52.037 -0.030 0.000 0.631 289 A CB -0.431 18.569 19.000 0.001 0.000 0.814 289 A HN 0.094 nan 8.150 nan 0.000 0.446 290 R N -0.307 120.145 120.500 -0.079 0.000 2.075 290 R HA -0.095 4.245 4.340 -0.000 0.000 0.232 290 R C 2.179 178.475 176.300 -0.006 0.000 1.126 290 R CA 1.554 57.625 56.100 -0.048 0.000 0.963 290 R CB -0.263 29.832 30.300 -0.342 0.000 0.858 290 R HN 0.530 nan 8.270 nan 0.000 0.435 291 K N 0.223 120.517 120.400 -0.176 0.000 2.032 291 K HA -0.153 4.167 4.320 -0.000 0.000 0.209 291 K C 2.183 178.726 176.600 -0.094 0.000 1.048 291 K CA 1.224 57.407 56.287 -0.174 0.000 0.927 291 K CB -0.163 32.175 32.500 -0.269 0.000 0.712 291 K HN 0.129 nan 8.250 nan 0.000 0.441 292 R N 1.061 121.515 120.500 -0.077 0.000 2.105 292 R HA -0.161 4.179 4.340 -0.000 0.000 0.239 292 R C 2.300 178.575 176.300 -0.043 0.000 1.135 292 R CA 1.436 57.504 56.100 -0.053 0.000 0.967 292 R CB -0.125 30.151 30.300 -0.040 0.000 0.861 292 R HN -0.019 nan 8.270 nan 0.000 0.442 293 K N 0.529 120.919 120.400 -0.017 0.000 2.032 293 K HA -0.110 4.210 4.320 -0.000 0.000 0.209 293 K C 1.957 178.492 176.600 -0.109 0.000 1.048 293 K CA 1.548 57.811 56.287 -0.040 0.000 0.927 293 K CB -0.105 32.405 32.500 0.017 0.000 0.712 293 K HN -0.024 nan 8.250 nan 0.000 0.441 294 M N -0.127 119.408 119.600 -0.108 0.000 2.149 294 M HA -0.122 4.358 4.480 -0.000 0.000 0.261 294 M C 2.238 178.458 176.300 -0.133 0.000 1.064 294 M CA 1.672 56.866 55.300 -0.177 0.000 1.102 294 M CB -0.810 31.692 32.600 -0.164 0.000 1.369 294 M HN 0.259 nan 8.290 nan 0.000 0.408 295 M N -0.605 118.939 119.600 -0.093 0.000 2.175 295 M HA -0.194 4.285 4.480 -0.000 0.000 0.264 295 M C 1.920 178.181 176.300 -0.065 0.000 1.063 295 M CA 1.495 56.753 55.300 -0.070 0.000 1.119 295 M CB -0.413 32.153 32.600 -0.058 0.000 1.377 295 M HN 0.275 nan 8.290 nan 0.000 0.415 296 E N 0.588 120.748 120.200 -0.068 0.000 2.077 296 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 296 E C 1.836 178.393 176.600 -0.071 0.000 0.989 296 E CA 1.209 57.572 56.400 -0.061 0.000 0.800 296 E CB -0.152 29.514 29.700 -0.058 0.000 0.746 296 E HN 0.506 nan 8.360 nan 0.000 0.452 297 I N 0.822 121.332 120.570 -0.099 0.000 2.315 297 I HA -0.234 3.936 4.170 -0.000 0.000 0.248 297 I C 2.451 178.521 176.117 -0.080 0.000 1.117 297 I CA 0.789 62.025 61.300 -0.107 0.000 1.404 297 I CB -0.233 37.667 38.000 -0.167 0.000 1.071 297 I HN 0.097 nan 8.210 nan 0.000 0.419 298 A N 1.667 124.441 122.820 -0.077 0.000 1.930 298 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 298 A C 2.392 179.959 177.584 -0.028 0.000 1.175 298 A CA 1.923 53.931 52.037 -0.049 0.000 0.627 298 A CB -0.494 18.479 19.000 -0.044 0.000 0.815 298 A HN 0.517 nan 8.150 nan 0.000 0.443 299 K N -0.078 120.303 120.400 -0.031 0.000 2.076 299 K HA -0.093 4.227 4.320 -0.000 0.000 0.204 299 K C 2.046 178.634 176.600 -0.020 0.000 1.051 299 K CA 1.439 57.714 56.287 -0.021 0.000 0.949 299 K CB -0.380 32.106 32.500 -0.024 0.000 0.726 299 K HN 0.350 nan 8.250 nan 0.000 0.443 300 K N 1.319 121.702 120.400 -0.029 0.000 2.009 300 K HA -0.126 4.194 4.320 -0.000 0.000 0.210 300 K C 2.028 178.616 176.600 -0.020 0.000 1.049 300 K CA 1.809 58.080 56.287 -0.026 0.000 0.929 300 K CB -0.114 32.364 32.500 -0.036 0.000 0.714 300 K HN 0.078 nan 8.250 nan 0.000 0.440 301 V N 0.740 120.640 119.914 -0.022 0.000 2.515 301 V HA -0.145 3.975 4.120 -0.000 0.000 0.250 301 V C 2.406 178.498 176.094 -0.002 0.000 1.058 301 V CA 2.007 64.299 62.300 -0.013 0.000 1.064 301 V CB -0.667 31.145 31.823 -0.017 0.000 0.675 301 V HN 0.627 nan 8.190 nan 0.000 0.461 302 G N -0.710 108.090 108.800 0.001 0.000 2.448 302 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.218 302 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.218 302 G C 0.866 175.775 174.900 0.016 0.000 1.135 302 G CA -0.133 44.977 45.100 0.016 0.000 0.784 302 G HN 0.417 nan 8.290 nan 0.000 0.543 303 K N 0.593 120.996 120.400 0.003 0.000 2.466 303 K HA 0.311 4.631 4.320 -0.000 0.000 0.278 303 K C 1.216 177.819 176.600 0.004 0.000 1.048 303 K CA 0.806 57.093 56.287 -0.002 0.000 1.088 303 K CB 0.162 32.657 32.500 -0.008 0.000 0.884 303 K HN 0.274 nan 8.250 nan 0.000 0.478 304 G N 2.758 111.557 108.800 -0.001 0.000 2.253 304 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.209 304 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.209 304 G C -0.027 174.897 174.900 0.040 0.000 0.997 304 G CA -0.552 44.552 45.100 0.007 0.000 0.640 304 G HN 0.488 nan 8.290 nan 0.000 0.496 305 L N 2.501 123.756 121.223 0.055 0.000 2.313 305 L HA 0.470 4.809 4.340 -0.000 0.000 0.282 305 L C 0.871 177.811 176.870 0.117 0.000 1.092 305 L CA -1.098 53.812 54.840 0.117 0.000 0.831 305 L CB 0.362 42.476 42.059 0.091 0.000 1.159 305 L HN 0.153 nan 8.230 nan 0.000 0.442 306 H N 4.451 123.537 119.070 0.026 0.000 2.972 306 H HA -0.005 4.551 4.556 -0.000 0.000 0.343 306 H C -1.407 173.951 175.328 0.049 0.000 1.054 306 H CA -1.225 54.839 56.048 0.028 0.000 1.412 306 H CB 0.068 29.842 29.762 0.019 0.000 1.385 306 H HN 0.374 nan 8.280 nan 0.000 0.600 307 P HA -0.281 nan 4.420 nan 0.000 0.221 307 P C 1.086 178.477 177.300 0.152 0.000 1.153 307 P CA 2.016 65.174 63.100 0.097 0.000 0.858 307 P CB 0.208 31.942 31.700 0.056 0.000 0.783 308 D N -2.003 118.492 120.400 0.159 0.000 2.269 308 D HA -0.077 4.563 4.640 -0.000 0.000 0.208 308 D C 0.134 176.546 176.300 0.186 0.000 0.963 308 D CA 0.505 54.602 54.000 0.161 0.000 0.864 308 D CB -0.783 40.072 40.800 0.092 0.000 0.936 308 D HN 0.129 nan 8.370 nan 0.000 0.505 309 C N 0.961 120.362 119.300 0.168 0.000 2.376 309 C HA 0.736 5.196 4.460 -0.000 0.000 0.335 309 C C -0.698 174.401 174.990 0.181 0.000 1.229 309 C CA -0.774 58.287 59.018 0.072 0.000 1.867 309 C CB -0.147 27.613 27.740 0.033 0.000 2.319 309 C HN 0.453 nan 8.230 nan 0.000 0.515 310 Y N -0.176 120.130 120.300 0.010 0.000 2.662 310 Y HA 0.773 5.322 4.550 -0.000 0.000 0.334 310 Y C -1.488 174.409 175.900 -0.004 0.000 1.185 310 Y CA -1.518 56.584 58.100 0.002 0.000 1.074 310 Y CB 0.395 38.855 38.460 0.000 0.000 1.330 310 Y HN 0.467 nan 8.280 nan 0.000 0.458 311 I N 2.133 122.801 120.570 0.164 0.000 2.406 311 I HA 0.404 4.574 4.170 -0.000 0.000 0.290 311 I C -0.813 175.394 176.117 0.150 0.000 0.999 311 I CA -0.488 60.863 61.300 0.085 0.000 1.124 311 I CB 1.948 39.965 38.000 0.029 0.000 1.289 311 I HN 0.719 nan 8.210 nan 0.000 0.441 312 E N 6.388 126.668 120.200 0.134 0.000 2.218 312 E HA 0.523 4.873 4.350 -0.000 0.000 0.263 312 E C -1.717 174.916 176.600 0.055 0.000 0.879 312 E CA -0.777 55.696 56.400 0.121 0.000 0.762 312 E CB 1.558 31.378 29.700 0.199 0.000 1.166 312 E HN 0.364 nan 8.360 nan 0.000 0.415 313 L N 4.634 125.875 121.223 0.029 0.000 2.296 313 L HA 0.378 4.718 4.340 -0.000 0.000 0.286 313 L C -0.973 175.903 176.870 0.009 0.000 1.023 313 L CA -0.683 54.163 54.840 0.009 0.000 0.812 313 L CB 1.854 43.904 42.059 -0.015 0.000 1.223 313 L HN 0.373 nan 8.230 nan 0.000 0.421 314 V N 5.495 125.419 119.914 0.015 0.000 2.357 314 V HA 0.496 4.616 4.120 -0.000 0.000 0.284 314 V C 0.100 176.200 176.094 0.010 0.000 1.018 314 V CA -0.500 61.809 62.300 0.014 0.000 0.841 314 V CB 1.369 33.208 31.823 0.026 0.000 0.991 314 V HN 0.498 nan 8.190 nan 0.000 0.437 315 I N 4.000 124.566 120.570 -0.006 0.000 2.441 315 I HA 0.601 4.771 4.170 -0.000 0.000 0.295 315 I C -0.137 175.972 176.117 -0.012 0.000 0.994 315 I CA -0.361 60.926 61.300 -0.021 0.000 1.144 315 I CB 1.961 39.927 38.000 -0.057 0.000 1.314 315 I HN 0.648 nan 8.210 nan 0.000 0.445 316 E N 4.580 124.774 120.200 -0.010 0.000 2.378 316 E HA 0.185 4.535 4.350 -0.000 0.000 0.282 316 E C -1.622 174.976 176.600 -0.005 0.000 0.910 316 E CA -0.707 55.693 56.400 0.000 0.000 0.816 316 E CB 1.291 30.994 29.700 0.006 0.000 1.359 316 E HN 0.480 nan 8.360 nan 0.000 0.397 317 D N 1.772 122.180 120.400 0.014 0.000 2.443 317 D HA 0.077 4.717 4.640 -0.000 0.000 0.239 317 D C 0.361 176.572 176.300 -0.149 0.000 1.136 317 D CA 0.359 54.355 54.000 -0.007 0.000 0.879 317 D CB 1.690 42.535 40.800 0.075 0.000 1.195 317 D HN 0.287 nan 8.370 nan 0.000 0.443 318 S N 0.801 116.342 115.700 -0.265 0.000 2.591 318 S HA 0.140 4.610 4.470 -0.000 0.000 0.235 318 S C -0.157 174.290 174.600 -0.255 0.000 1.074 318 S CA 0.113 58.178 58.200 -0.225 0.000 0.925 318 S CB 0.303 63.391 63.200 -0.187 0.000 0.818 318 S HN 0.631 nan 8.310 nan 0.000 0.535 319 Y N -1.606 118.405 120.300 -0.481 0.000 2.677 319 Y HA 0.707 5.257 4.550 -0.000 0.000 0.334 319 Y C -1.558 173.913 175.900 -0.715 0.000 1.196 319 Y CA -2.029 55.698 58.100 -0.622 0.000 1.059 319 Y CB 0.461 38.734 38.460 -0.311 0.000 1.315 319 Y HN -0.009 nan 8.280 nan 0.000 0.455 320 Y N 0.058 120.242 120.300 -0.193 0.000 2.587 320 Y HA 0.377 4.926 4.550 -0.000 0.000 0.337 320 Y C 0.008 175.892 175.900 -0.027 0.000 1.065 320 Y CA -1.531 56.370 58.100 -0.331 0.000 1.126 320 Y CB 1.450 39.498 38.460 -0.686 0.000 1.279 320 Y HN 0.686 nan 8.280 nan 0.000 0.489 321 N N 2.597 121.431 118.700 0.223 0.000 2.431 321 N HA -0.009 4.731 4.740 -0.000 0.000 0.265 321 N C 0.530 176.308 175.510 0.447 0.000 1.184 321 N CA 0.039 53.264 53.050 0.292 0.000 0.943 321 N CB 0.724 39.353 38.487 0.237 0.000 1.080 321 N HN 0.826 nan 8.380 nan 0.000 0.477 322 M N 2.766 122.609 119.600 0.405 0.000 2.557 322 M HA -0.019 4.461 4.480 -0.000 0.000 0.259 322 M C 1.723 178.128 176.300 0.174 0.000 1.086 322 M CA 0.664 56.162 55.300 0.330 0.000 1.096 322 M CB 0.059 32.789 32.600 0.218 0.000 1.424 322 M HN 0.409 nan 8.290 nan 0.000 0.488 323 R N 1.870 122.497 120.500 0.212 0.000 2.168 323 R HA -0.266 4.074 4.340 -0.000 0.000 0.242 323 R C 2.165 178.544 176.300 0.132 0.000 1.123 323 R CA 3.154 59.396 56.100 0.236 0.000 0.928 323 R CB -0.657 29.773 30.300 0.216 0.000 0.873 323 R HN 0.813 nan 8.270 nan 0.000 0.434 324 E N 0.165 120.416 120.200 0.085 0.000 2.114 324 E HA -0.239 4.111 4.350 -0.000 0.000 0.199 324 E C 1.465 178.011 176.600 -0.091 0.000 1.008 324 E CA 1.365 57.765 56.400 0.000 0.000 0.810 324 E CB -0.244 29.467 29.700 0.018 0.000 0.739 324 E HN 0.255 nan 8.360 nan 0.000 0.456 325 K N 0.587 120.894 120.400 -0.154 0.000 2.486 325 K HA 0.046 4.366 4.320 -0.000 0.000 0.194 325 K C 1.909 178.456 176.600 -0.090 0.000 1.033 325 K CA 0.472 56.635 56.287 -0.206 0.000 1.004 325 K CB 0.578 32.820 32.500 -0.430 0.000 0.798 325 K HN 0.173 nan 8.250 nan 0.000 0.495 326 V N 0.461 120.335 119.914 -0.067 0.000 2.627 326 V HA -0.112 4.008 4.120 -0.000 0.000 0.239 326 V C 2.265 178.258 176.094 -0.168 0.000 1.077 326 V CA 0.933 63.184 62.300 -0.081 0.000 1.103 326 V CB -0.227 31.588 31.823 -0.013 0.000 0.802 326 V HN 0.050 nan 8.190 nan 0.000 0.482 327 V N -1.005 118.817 119.914 -0.155 0.000 2.688 327 V HA -0.233 3.887 4.120 -0.000 0.000 0.256 327 V C 2.003 177.952 176.094 -0.240 0.000 1.084 327 V CA 2.149 64.325 62.300 -0.207 0.000 1.103 327 V CB -1.033 30.715 31.823 -0.125 0.000 0.688 327 V HN 0.629 nan 8.190 nan 0.000 0.480 328 E N -0.005 120.028 120.200 -0.278 0.000 2.333 328 E HA -0.168 4.182 4.350 -0.000 0.000 0.200 328 E C 0.115 176.269 176.600 -0.744 0.000 1.010 328 E CA 1.311 57.427 56.400 -0.473 0.000 0.841 328 E CB -0.115 29.258 29.700 -0.545 0.000 0.757 328 E HN 0.935 nan 8.360 nan 0.000 0.508 329 H N -1.747 117.142 119.070 -0.302 0.000 2.488 329 H HA 0.120 4.676 4.556 -0.000 0.000 0.237 329 H C -1.970 172.955 175.328 -0.672 0.000 1.395 329 H CA -1.633 54.115 56.048 -0.500 0.000 1.491 329 H CB 1.007 30.370 29.762 -0.664 0.000 1.567 329 H HN 0.025 nan 8.280 nan 0.000 0.508 330 P HA -0.343 nan 4.420 nan 0.000 0.219 330 P C 1.561 178.677 177.300 -0.307 0.000 1.153 330 P CA 1.734 64.673 63.100 -0.269 0.000 0.865 330 P CB 0.138 31.759 31.700 -0.132 0.000 0.788 331 H N -0.744 118.178 119.070 -0.246 0.000 2.387 331 H HA -0.087 4.469 4.556 -0.000 0.000 0.299 331 H C 2.047 177.129 175.328 -0.410 0.000 1.099 331 H CA 1.055 56.922 56.048 -0.301 0.000 1.315 331 H CB -1.499 28.066 29.762 -0.329 0.000 1.380 331 H HN 0.166 nan 8.280 nan 0.000 0.513 332 I N 1.139 121.199 120.570 -0.850 0.000 2.091 332 I HA -0.308 3.862 4.170 -0.000 0.000 0.239 332 I C 2.773 178.774 176.117 -0.195 0.000 1.061 332 I CA 1.537 62.391 61.300 -0.744 0.000 1.317 332 I CB -0.348 37.123 38.000 -0.883 0.000 1.031 332 I HN 0.132 nan 8.210 nan 0.000 0.401 333 L N -0.135 120.948 121.223 -0.234 0.000 2.240 333 L HA -0.131 4.209 4.340 -0.000 0.000 0.211 333 L C 2.087 178.918 176.870 -0.066 0.000 1.106 333 L CA 0.739 55.502 54.840 -0.128 0.000 0.793 333 L CB -0.593 41.277 42.059 -0.316 0.000 0.927 333 L HN 0.261 nan 8.230 nan 0.000 0.446 334 D N 0.579 120.925 120.400 -0.090 0.000 2.097 334 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 334 D C 2.292 178.606 176.300 0.024 0.000 0.984 334 D CA 1.305 55.283 54.000 -0.036 0.000 0.826 334 D CB 0.037 40.812 40.800 -0.041 0.000 0.973 334 D HN 0.269 nan 8.370 nan 0.000 0.460 335 I N 1.414 122.019 120.570 0.059 0.000 2.179 335 I HA -0.256 3.914 4.170 -0.000 0.000 0.242 335 I C 2.540 178.722 176.117 0.107 0.000 1.088 335 I CA 1.052 62.422 61.300 0.116 0.000 1.357 335 I CB -0.208 37.922 38.000 0.216 0.000 1.051 335 I HN -0.092 nan 8.210 nan 0.000 0.409 336 A N -0.017 122.878 122.820 0.125 0.000 1.917 336 A HA -0.292 4.028 4.320 -0.000 0.000 0.219 336 A C 2.271 179.907 177.584 0.086 0.000 1.182 336 A CA 1.870 53.962 52.037 0.091 0.000 0.633 336 A CB -0.615 18.496 19.000 0.185 0.000 0.819 336 A HN 0.505 nan 8.150 nan 0.000 0.448 337 Q N -1.852 117.992 119.800 0.074 0.000 2.137 337 Q HA -0.155 4.185 4.340 -0.000 0.000 0.198 337 Q C 2.338 178.370 176.000 0.053 0.000 0.960 337 Q CA 1.277 57.118 55.803 0.063 0.000 0.847 337 Q CB -0.100 28.662 28.738 0.040 0.000 0.915 337 Q HN 0.707 nan 8.270 nan 0.000 0.448 338 Q N 0.907 120.735 119.800 0.048 0.000 2.050 338 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 338 Q C 1.842 177.873 176.000 0.051 0.000 0.980 338 Q CA 1.877 57.707 55.803 0.045 0.000 0.840 338 Q CB -0.432 28.334 28.738 0.045 0.000 0.898 338 Q HN 0.363 nan 8.270 nan 0.000 0.424 339 A N 0.295 123.151 122.820 0.059 0.000 1.859 339 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 339 A C 2.191 179.814 177.584 0.065 0.000 1.198 339 A CA 2.189 54.261 52.037 0.057 0.000 0.629 339 A CB -0.786 18.244 19.000 0.050 0.000 0.830 339 A HN 0.531 nan 8.150 nan 0.000 0.446 340 M N -1.538 118.113 119.600 0.085 0.000 2.080 340 M HA -0.208 4.272 4.480 -0.000 0.000 0.260 340 M C 2.485 178.820 176.300 0.059 0.000 1.068 340 M CA 1.887 57.246 55.300 0.099 0.000 1.109 340 M CB -0.408 32.260 32.600 0.113 0.000 1.342 340 M HN 0.373 nan 8.290 nan 0.000 0.405 341 R N 0.271 120.799 120.500 0.046 0.000 2.081 341 R HA -0.151 4.189 4.340 -0.000 0.000 0.235 341 R C 1.719 178.037 176.300 0.030 0.000 1.131 341 R CA 1.496 57.615 56.100 0.032 0.000 0.960 341 R CB -0.400 29.917 30.300 0.028 0.000 0.856 341 R HN 0.403 nan 8.270 nan 0.000 0.436 342 D N 0.022 120.443 120.400 0.035 0.000 2.149 342 D HA -0.145 4.495 4.640 -0.000 0.000 0.198 342 D C 1.284 177.603 176.300 0.032 0.000 0.990 342 D CA 1.048 55.067 54.000 0.032 0.000 0.839 342 D CB -0.205 40.616 40.800 0.035 0.000 0.948 342 D HN 0.290 nan 8.370 nan 0.000 0.460 343 C N 1.149 120.473 119.300 0.040 0.000 2.454 343 C HA 0.080 4.540 4.460 -0.000 0.000 0.321 343 C C 0.514 175.523 174.990 0.033 0.000 1.299 343 C CA -0.804 58.239 59.018 0.041 0.000 1.683 343 C CB -1.260 26.516 27.740 0.061 0.000 1.772 343 C HN 0.304 nan 8.230 nan 0.000 0.596 344 D N 0.812 121.227 120.400 0.025 0.000 2.911 344 D HA -0.141 4.499 4.640 -0.000 0.000 0.227 344 D C -0.072 176.230 176.300 0.004 0.000 1.164 344 D CA 0.940 54.949 54.000 0.015 0.000 0.782 344 D CB -0.515 40.293 40.800 0.013 0.000 1.094 344 D HN 0.427 nan 8.370 nan 0.000 0.425 345 I N 0.660 121.233 120.570 0.005 0.000 2.353 345 I HA 0.259 4.429 4.170 -0.000 0.000 0.293 345 I C 0.873 176.977 176.117 -0.022 0.000 0.992 345 I CA -0.545 60.738 61.300 -0.029 0.000 1.268 345 I CB 1.483 39.454 38.000 -0.047 0.000 1.387 345 I HN -0.170 nan 8.210 nan 0.000 0.478 346 E N 8.257 128.435 120.200 -0.037 0.000 2.105 346 E HA 0.339 4.689 4.350 -0.000 0.000 0.285 346 E C -2.435 174.149 176.600 -0.027 0.000 1.055 346 E CA -1.846 54.542 56.400 -0.020 0.000 0.843 346 E CB 0.699 30.389 29.700 -0.016 0.000 1.067 346 E HN 0.269 nan 8.360 nan 0.000 0.398 347 P HA 0.018 nan 4.420 nan 0.000 0.264 347 P C -0.869 176.444 177.300 0.023 0.000 1.193 347 P CA 0.255 63.369 63.100 0.024 0.000 0.763 347 P CB 0.504 32.237 31.700 0.055 0.000 0.810 348 E N 3.550 123.761 120.200 0.018 0.000 2.173 348 E HA 0.202 4.552 4.350 -0.000 0.000 0.249 348 E C -0.483 176.148 176.600 0.053 0.000 0.923 348 E CA -0.535 55.878 56.400 0.022 0.000 0.754 348 E CB 0.344 30.038 29.700 -0.009 0.000 1.177 348 E HN 0.436 nan 8.360 nan 0.000 0.430 349 L N 3.872 125.144 121.223 0.082 0.000 2.462 349 L HA 0.206 4.546 4.340 -0.000 0.000 0.272 349 L C 0.477 177.360 176.870 0.021 0.000 1.166 349 L CA 0.676 55.580 54.840 0.107 0.000 0.880 349 L CB 0.225 42.397 42.059 0.188 0.000 1.142 349 L HN 0.205 nan 8.230 nan 0.000 0.473 350 K N 5.976 126.347 120.400 -0.049 0.000 2.553 350 K HA 0.413 4.733 4.320 -0.000 0.000 0.250 350 K C -2.780 173.660 176.600 -0.268 0.000 0.953 350 K CA -1.595 54.607 56.287 -0.143 0.000 0.800 350 K CB 2.902 35.354 32.500 -0.081 0.000 1.243 350 K HN 0.141 nan 8.250 nan 0.000 0.435 351 P HA 0.198 nan 4.420 nan 0.000 0.275 351 P C -0.210 176.908 177.300 -0.303 0.000 1.227 351 P CA -0.253 62.472 63.100 -0.625 0.000 0.781 351 P CB 0.704 31.511 31.700 -1.488 0.000 0.906 352 I N 4.051 124.541 120.570 -0.133 0.000 2.347 352 I HA 0.147 4.317 4.170 -0.000 0.000 0.294 352 I C 1.547 177.609 176.117 -0.091 0.000 1.090 352 I CA -0.127 61.143 61.300 -0.051 0.000 1.314 352 I CB 0.034 38.026 38.000 -0.012 0.000 1.423 352 I HN 0.063 nan 8.210 nan 0.000 0.503 353 R N 5.889 126.298 120.500 -0.151 0.000 4.902 353 R HA 0.314 4.653 4.340 -0.000 0.000 0.201 353 R C 0.532 176.792 176.300 -0.066 0.000 2.020 353 R CA -0.193 55.648 56.100 -0.432 0.000 1.674 353 R CB -0.401 29.874 30.300 -0.042 0.000 1.349 353 R HN 0.949 nan 8.270 nan 0.000 0.813 354 G N -0.945 107.843 108.800 -0.021 0.000 2.399 354 G HA2 0.241 4.201 3.960 -0.000 0.000 0.256 354 G HA3 0.241 4.201 3.960 -0.000 0.000 0.256 354 G C -1.145 173.848 174.900 0.156 0.000 1.236 354 G CA -0.418 44.845 45.100 0.273 0.000 0.914 354 G HN 0.295 nan 8.290 nan 0.000 0.482 355 G N -0.494 108.253 108.800 -0.088 0.000 2.417 355 G HA2 0.758 4.718 3.960 -0.000 0.000 0.334 355 G HA3 0.758 4.718 3.960 -0.000 0.000 0.334 355 G C -0.183 174.538 174.900 -0.299 0.000 1.150 355 G CA 0.570 45.329 45.100 -0.568 0.000 0.923 355 G HN 1.423 nan 8.290 nan 0.000 0.485 356 T N -1.155 113.236 114.554 -0.272 0.000 2.906 356 T HA 0.365 4.715 4.350 -0.000 0.000 0.295 356 T C 0.233 174.823 174.700 -0.183 0.000 1.075 356 T CA -0.667 61.333 62.100 -0.165 0.000 1.005 356 T CB 2.246 71.070 68.868 -0.073 0.000 1.136 356 T HN 0.222 nan 8.240 nan 0.000 0.498 357 D N 1.615 121.920 120.400 -0.159 0.000 2.149 357 D HA -0.071 4.568 4.640 -0.000 0.000 0.194 357 D C 2.282 178.474 176.300 -0.180 0.000 1.001 357 D CA 2.211 56.106 54.000 -0.174 0.000 0.849 357 D CB -0.703 40.000 40.800 -0.161 0.000 0.939 357 D HN 0.831 nan 8.370 nan 0.000 0.449 358 G N 0.373 109.091 108.800 -0.137 0.000 2.422 358 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.218 358 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.218 358 G C 1.691 176.553 174.900 -0.064 0.000 1.146 358 G CA 1.148 46.176 45.100 -0.122 0.000 0.769 358 G HN 0.407 nan 8.290 nan 0.000 0.547 359 A N 0.251 123.053 122.820 -0.031 0.000 2.019 359 A HA -0.056 4.264 4.320 -0.000 0.000 0.219 359 A C 2.320 179.972 177.584 0.114 0.000 1.164 359 A CA 1.874 53.947 52.037 0.060 0.000 0.644 359 A CB -0.283 18.732 19.000 0.025 0.000 0.805 359 A HN 0.490 nan 8.150 nan 0.000 0.449 360 Q N -0.583 119.210 119.800 -0.010 0.000 2.062 360 Q HA 0.051 4.391 4.340 -0.000 0.000 0.196 360 Q C 2.035 178.052 176.000 0.028 0.000 0.967 360 Q CA 1.094 56.901 55.803 0.007 0.000 0.832 360 Q CB -0.266 28.422 28.738 -0.085 0.000 0.899 360 Q HN 0.643 nan 8.270 nan 0.000 0.442 361 L N 0.468 121.640 121.223 -0.085 0.000 2.042 361 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 361 L C 2.441 179.281 176.870 -0.050 0.000 1.076 361 L CA 0.957 55.710 54.840 -0.144 0.000 0.749 361 L CB -0.416 41.442 42.059 -0.335 0.000 0.893 361 L HN 0.158 nan 8.230 nan 0.000 0.432 362 S N -0.403 115.286 115.700 -0.019 0.000 2.374 362 S HA -0.165 4.305 4.470 -0.000 0.000 0.227 362 S C 1.318 175.846 174.600 -0.120 0.000 1.037 362 S CA 1.432 59.597 58.200 -0.059 0.000 1.024 362 S CB -0.361 62.815 63.200 -0.042 0.000 0.861 362 S HN 0.283 nan 8.310 nan 0.000 0.456 363 F N 0.559 120.525 119.950 0.026 0.000 2.696 363 F HA 0.374 4.901 4.527 -0.000 0.000 0.296 363 F C 1.258 177.083 175.800 0.041 0.000 1.181 363 F CA 0.194 58.228 58.000 0.055 0.000 1.411 363 F CB -0.280 38.779 39.000 0.098 0.000 1.014 363 F HN 0.112 nan 8.300 nan 0.000 0.512 364 M N -1.082 118.587 119.600 0.116 0.000 2.327 364 M HA 0.296 4.776 4.480 -0.000 0.000 0.365 364 M C 1.268 177.607 176.300 0.066 0.000 0.992 364 M CA 0.277 55.632 55.300 0.091 0.000 0.985 364 M CB 1.111 33.752 32.600 0.069 0.000 1.673 364 M HN 0.204 nan 8.290 nan 0.000 0.586 365 G N 1.731 110.554 108.800 0.038 0.000 2.179 365 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.220 365 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.220 365 G C -0.407 174.509 174.900 0.028 0.000 0.990 365 G CA -0.260 44.862 45.100 0.035 0.000 0.646 365 G HN 0.329 nan 8.290 nan 0.000 0.517 366 L N 2.049 123.277 121.223 0.008 0.000 2.495 366 L HA 0.580 4.919 4.340 -0.000 0.000 0.248 366 L C -2.323 174.519 176.870 -0.047 0.000 1.229 366 L CA -2.217 52.624 54.840 0.001 0.000 0.942 366 L CB 1.098 43.163 42.059 0.011 0.000 1.242 366 L HN -0.159 nan 8.230 nan 0.000 0.484 367 P HA 0.004 nan 4.420 nan 0.000 0.261 367 P C -0.710 176.537 177.300 -0.088 0.000 1.183 367 P CA 0.179 63.236 63.100 -0.072 0.000 0.761 367 P CB 0.304 31.963 31.700 -0.068 0.000 0.785 368 C N 6.518 125.756 119.300 -0.102 0.000 3.296 368 C HA 0.392 4.852 4.460 -0.000 0.000 0.317 368 C C -2.630 172.315 174.990 -0.074 0.000 1.040 368 C CA -2.066 56.872 59.018 -0.133 0.000 1.352 368 C CB -0.021 27.631 27.740 -0.147 0.000 1.797 368 C HN 0.451 nan 8.230 nan 0.000 0.552 369 P HA 0.250 nan 4.420 nan 0.000 0.277 369 P C -0.895 176.489 177.300 0.140 0.000 1.276 369 P CA -0.145 63.001 63.100 0.077 0.000 0.788 369 P CB 0.584 32.365 31.700 0.134 0.000 1.114 370 N N -0.213 118.596 118.700 0.182 0.000 2.417 370 N HA 0.331 5.071 4.740 -0.000 0.000 0.274 370 N C -1.162 174.474 175.510 0.211 0.000 0.987 370 N CA -0.330 52.823 53.050 0.171 0.000 0.912 370 N CB 0.012 38.568 38.487 0.115 0.000 1.177 370 N HN 0.233 nan 8.380 nan 0.000 0.490 371 L N 3.664 125.004 121.223 0.196 0.000 2.357 371 L HA 0.465 4.805 4.340 -0.000 0.000 0.273 371 L C 0.659 177.557 176.870 0.048 0.000 1.080 371 L CA -1.167 53.743 54.840 0.116 0.000 0.803 371 L CB 0.441 42.503 42.059 0.005 0.000 1.174 371 L HN 0.514 nan 8.230 nan 0.000 0.443 372 F N 0.368 120.340 119.950 0.037 0.000 2.527 372 F HA 0.168 4.695 4.527 -0.000 0.000 0.316 372 F C 0.897 176.679 175.800 -0.030 0.000 1.258 372 F CA -0.133 57.861 58.000 -0.009 0.000 1.314 372 F CB 0.010 38.988 39.000 -0.036 0.000 1.200 372 F HN 0.366 nan 8.300 nan 0.000 0.577 373 T N -1.000 113.627 114.554 0.122 0.000 3.010 373 T HA 0.335 4.685 4.350 -0.000 0.000 0.253 373 T C 1.089 175.803 174.700 0.023 0.000 0.939 373 T CA 0.319 62.403 62.100 -0.027 0.000 0.910 373 T CB -0.106 68.750 68.868 -0.020 0.000 1.226 373 T HN 1.331 nan 8.240 nan 0.000 0.508 374 G N 0.922 109.767 108.800 0.075 0.000 2.176 374 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.232 374 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.232 374 G C 0.344 175.039 174.900 -0.342 0.000 0.986 374 G CA -0.083 44.973 45.100 -0.075 0.000 0.643 374 G HN 0.854 nan 8.290 nan 0.000 0.522 375 G N -0.810 107.769 108.800 -0.368 0.000 2.434 375 G HA2 0.716 4.676 3.960 -0.000 0.000 0.330 375 G HA3 0.716 4.676 3.960 -0.000 0.000 0.330 375 G C -0.850 173.412 174.900 -1.063 0.000 1.155 375 G CA -0.868 43.979 45.100 -0.421 0.000 0.917 375 G HN 0.338 nan 8.290 nan 0.000 0.493 376 Y N -0.874 118.894 120.300 -0.887 0.000 2.609 376 Y HA 0.341 4.891 4.550 -0.000 0.000 0.342 376 Y C 0.462 175.844 175.900 -0.863 0.000 1.058 376 Y CA -1.098 56.392 58.100 -1.016 0.000 1.055 376 Y CB 1.921 39.758 38.460 -1.038 0.000 1.292 376 Y HN 0.533 nan 8.280 nan 0.000 0.476 377 N N -0.226 118.195 118.700 -0.465 0.000 2.738 377 N HA -0.221 4.518 4.740 -0.000 0.000 0.249 377 N C -1.376 174.052 175.510 -0.137 0.000 1.047 377 N CA 0.390 53.282 53.050 -0.263 0.000 0.707 377 N CB -1.614 36.681 38.487 -0.321 0.000 0.937 377 N HN 0.470 nan 8.380 nan 0.000 0.545 378 Y N 0.217 120.399 120.300 -0.197 0.000 2.426 378 Y HA 0.069 4.619 4.550 -0.000 0.000 0.344 378 Y C 1.939 177.629 175.900 -0.350 0.000 1.256 378 Y CA 0.436 58.306 58.100 -0.383 0.000 1.451 378 Y CB 0.090 38.136 38.460 -0.690 0.000 1.342 378 Y HN 0.442 nan 8.280 nan 0.000 0.600 379 H N -2.248 116.961 119.070 0.231 0.000 3.415 379 H HA -0.142 4.414 4.556 -0.000 0.000 0.213 379 H C 0.488 175.889 175.328 0.121 0.000 1.091 379 H CA 0.470 56.602 56.048 0.140 0.000 1.182 379 H CB -1.379 28.458 29.762 0.125 0.000 1.160 379 H HN 0.838 nan 8.280 nan 0.000 0.319 380 G N 0.074 108.991 108.800 0.195 0.000 2.818 380 G HA2 0.448 4.408 3.960 -0.000 0.000 0.286 380 G HA3 0.448 4.408 3.960 -0.000 0.000 0.286 380 G C 0.455 175.411 174.900 0.094 0.000 1.364 380 G CA -0.481 44.715 45.100 0.161 0.000 0.938 380 G HN 0.198 nan 8.290 nan 0.000 0.490 381 K N -1.354 119.057 120.400 0.020 0.000 2.486 381 K HA 0.047 4.367 4.320 -0.000 0.000 0.194 381 K C 0.533 176.986 176.600 -0.246 0.000 1.033 381 K CA 0.912 57.125 56.287 -0.124 0.000 1.004 381 K CB -0.075 32.310 32.500 -0.192 0.000 0.798 381 K HN 0.528 nan 8.250 nan 0.000 0.495 382 H N 0.923 120.039 119.070 0.076 0.000 2.505 382 H HA 0.189 4.745 4.556 -0.000 0.000 0.289 382 H C -0.557 174.778 175.328 0.011 0.000 1.052 382 H CA -0.429 55.631 56.048 0.021 0.000 1.156 382 H CB 0.375 30.158 29.762 0.036 0.000 1.507 382 H HN 0.319 nan 8.280 nan 0.000 0.548 383 E N 1.502 121.782 120.200 0.134 0.000 2.384 383 E HA 0.185 4.535 4.350 -0.000 0.000 0.266 383 E C -0.732 176.026 176.600 0.264 0.000 1.012 383 E CA -0.236 56.252 56.400 0.148 0.000 0.901 383 E CB 0.497 30.287 29.700 0.150 0.000 0.967 383 E HN 0.296 nan 8.360 nan 0.000 0.435 384 F N 1.878 121.838 119.950 0.016 0.000 2.869 384 F HA 0.753 5.280 4.527 -0.000 0.000 0.325 384 F C -1.600 174.255 175.800 0.092 0.000 1.184 384 F CA -1.086 56.936 58.000 0.038 0.000 0.951 384 F CB 1.031 40.007 39.000 -0.040 0.000 1.421 384 F HN 0.191 nan 8.300 nan 0.000 0.501 385 V N 0.415 120.400 119.914 0.117 0.000 3.077 385 V HA 0.637 4.757 4.120 -0.000 0.000 0.299 385 V C -1.191 174.966 176.094 0.106 0.000 1.276 385 V CA 0.105 62.392 62.300 -0.021 0.000 0.993 385 V CB 2.275 34.040 31.823 -0.097 0.000 1.076 385 V HN 1.365 nan 8.190 nan 0.000 0.434 386 T N 3.502 118.103 114.554 0.078 0.000 2.837 386 T HA 0.408 4.758 4.350 -0.000 0.000 0.285 386 T C 0.851 175.558 174.700 0.011 0.000 0.984 386 T CA -0.138 62.017 62.100 0.092 0.000 1.049 386 T CB 1.444 70.396 68.868 0.140 0.000 0.947 386 T HN 0.768 nan 8.240 nan 0.000 0.472 387 L N 2.350 123.582 121.223 0.015 0.000 2.127 387 L HA 0.037 4.376 4.340 -0.000 0.000 0.211 387 L C 2.274 179.142 176.870 -0.003 0.000 1.089 387 L CA 1.896 56.727 54.840 -0.015 0.000 0.757 387 L CB -0.808 41.260 42.059 0.015 0.000 0.899 387 L HN 0.829 nan 8.230 nan 0.000 0.434 388 E N -0.878 119.339 120.200 0.029 0.000 2.152 388 E HA -0.032 4.318 4.350 -0.000 0.000 0.192 388 E C 2.145 178.774 176.600 0.049 0.000 0.983 388 E CA 0.925 57.348 56.400 0.038 0.000 0.818 388 E CB -0.609 29.122 29.700 0.051 0.000 0.758 388 E HN 0.558 nan 8.360 nan 0.000 0.467 389 G N 0.589 109.421 108.800 0.053 0.000 2.418 389 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 389 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 389 G C 1.549 176.506 174.900 0.095 0.000 1.158 389 G CA 0.863 46.011 45.100 0.080 0.000 0.771 389 G HN 0.142 nan 8.290 nan 0.000 0.545 390 M N 0.094 119.689 119.600 -0.008 0.000 2.159 390 M HA -0.005 4.475 4.480 -0.000 0.000 0.263 390 M C 2.397 178.674 176.300 -0.039 0.000 1.063 390 M CA 1.520 56.778 55.300 -0.070 0.000 1.110 390 M CB -0.204 32.293 32.600 -0.171 0.000 1.374 390 M HN 0.390 nan 8.290 nan 0.000 0.411 391 E N 0.838 121.033 120.200 -0.008 0.000 2.106 391 E HA -0.206 4.144 4.350 -0.000 0.000 0.192 391 E C 1.789 178.404 176.600 0.026 0.000 0.984 391 E CA 1.258 57.658 56.400 -0.000 0.000 0.806 391 E CB 0.152 29.858 29.700 0.010 0.000 0.750 391 E HN 0.419 nan 8.360 nan 0.000 0.458 392 K N -0.094 120.358 120.400 0.087 0.000 2.148 392 K HA -0.049 4.271 4.320 -0.000 0.000 0.204 392 K C 2.015 178.739 176.600 0.205 0.000 1.050 392 K CA 0.920 57.308 56.287 0.168 0.000 0.942 392 K CB -0.012 32.613 32.500 0.208 0.000 0.724 392 K HN 0.132 nan 8.250 nan 0.000 0.446 393 A N 0.721 123.590 122.820 0.083 0.000 1.968 393 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 393 A C 2.250 179.671 177.584 -0.272 0.000 1.169 393 A CA 1.069 52.890 52.037 -0.359 0.000 0.638 393 A CB -0.407 18.311 19.000 -0.469 0.000 0.812 393 A HN 0.048 nan 8.150 nan 0.000 0.446 394 V N -0.058 119.764 119.914 -0.154 0.000 2.261 394 V HA -0.327 3.793 4.120 -0.000 0.000 0.246 394 V C 2.559 178.574 176.094 -0.132 0.000 1.047 394 V CA 2.218 64.428 62.300 -0.151 0.000 1.015 394 V CB -1.066 30.699 31.823 -0.098 0.000 0.642 394 V HN 0.628 nan 8.190 nan 0.000 0.446 395 Q N -0.560 119.202 119.800 -0.064 0.000 2.248 395 Q HA -0.183 4.157 4.340 -0.000 0.000 0.208 395 Q C 2.245 178.224 176.000 -0.035 0.000 0.984 395 Q CA 1.717 57.501 55.803 -0.031 0.000 0.875 395 Q CB -0.251 28.495 28.738 0.013 0.000 0.910 395 Q HN 0.570 nan 8.270 nan 0.000 0.433 396 V N 0.190 120.073 119.914 -0.052 0.000 2.446 396 V HA -0.190 3.930 4.120 -0.000 0.000 0.244 396 V C 2.007 178.023 176.094 -0.130 0.000 1.039 396 V CA 1.151 63.422 62.300 -0.047 0.000 1.045 396 V CB -0.270 31.551 31.823 -0.002 0.000 0.681 396 V HN 0.312 nan 8.190 nan 0.000 0.459 397 I N -0.128 120.289 120.570 -0.255 0.000 2.127 397 I HA -0.243 3.927 4.170 -0.000 0.000 0.241 397 I C 2.415 178.353 176.117 -0.299 0.000 1.075 397 I CA 1.457 62.498 61.300 -0.432 0.000 1.334 397 I CB -0.500 37.058 38.000 -0.737 0.000 1.040 397 I HN 0.128 nan 8.210 nan 0.000 0.405 398 V N 0.688 120.470 119.914 -0.219 0.000 2.252 398 V HA -0.328 3.792 4.120 -0.000 0.000 0.249 398 V C 2.642 178.711 176.094 -0.041 0.000 1.056 398 V CA 2.099 64.324 62.300 -0.124 0.000 1.022 398 V CB -0.778 30.992 31.823 -0.088 0.000 0.641 398 V HN 0.374 nan 8.190 nan 0.000 0.445 399 R N 0.181 120.666 120.500 -0.024 0.000 2.091 399 R HA -0.102 4.238 4.340 -0.000 0.000 0.238 399 R C 1.980 178.309 176.300 0.049 0.000 1.136 399 R CA 1.722 57.833 56.100 0.018 0.000 0.959 399 R CB -0.900 29.413 30.300 0.021 0.000 0.856 399 R HN 0.569 nan 8.270 nan 0.000 0.437 400 I N -0.030 120.569 120.570 0.049 0.000 2.179 400 I HA -0.289 3.881 4.170 -0.000 0.000 0.242 400 I C 2.292 178.513 176.117 0.172 0.000 1.088 400 I CA 1.455 62.822 61.300 0.112 0.000 1.357 400 I CB -0.497 37.548 38.000 0.075 0.000 1.051 400 I HN 0.254 nan 8.210 nan 0.000 0.409 401 A N 0.330 123.250 122.820 0.167 0.000 1.892 401 A HA -0.321 3.999 4.320 -0.000 0.000 0.218 401 A C 2.290 179.954 177.584 0.132 0.000 1.188 401 A CA 2.311 54.439 52.037 0.152 0.000 0.631 401 A CB -0.806 18.237 19.000 0.072 0.000 0.822 401 A HN 0.520 nan 8.150 nan 0.000 0.447 402 E N -0.349 119.911 120.200 0.101 0.000 2.038 402 E HA -0.173 4.177 4.350 -0.000 0.000 0.195 402 E C 1.964 178.619 176.600 0.093 0.000 1.000 402 E CA 1.293 57.748 56.400 0.093 0.000 0.803 402 E CB -0.239 29.500 29.700 0.065 0.000 0.750 402 E HN 0.607 nan 8.360 nan 0.000 0.448 403 L N 0.359 121.641 121.223 0.099 0.000 2.131 403 L HA -0.149 4.190 4.340 -0.000 0.000 0.210 403 L C 2.521 179.471 176.870 0.134 0.000 1.092 403 L CA 1.331 56.234 54.840 0.105 0.000 0.759 403 L CB -0.335 41.787 42.059 0.106 0.000 0.903 403 L HN 0.248 nan 8.230 nan 0.000 0.435 404 T N -0.280 114.377 114.554 0.171 0.000 2.867 404 T HA -0.125 4.225 4.350 -0.000 0.000 0.268 404 T C 1.991 176.765 174.700 0.125 0.000 1.057 404 T CA 1.155 63.376 62.100 0.202 0.000 1.136 404 T CB -0.128 68.864 68.868 0.207 0.000 0.874 404 T HN 0.449 nan 8.240 nan 0.000 0.466 405 A N 1.577 124.455 122.820 0.097 0.000 1.930 405 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 405 A C 2.286 179.899 177.584 0.048 0.000 1.175 405 A CA 1.093 53.168 52.037 0.062 0.000 0.627 405 A CB -0.494 18.542 19.000 0.060 0.000 0.815 405 A HN 0.511 nan 8.150 nan 0.000 0.443 406 Q N -0.645 119.188 119.800 0.056 0.000 2.224 406 Q HA -0.178 4.162 4.340 -0.000 0.000 0.203 406 Q C 2.062 178.085 176.000 0.039 0.000 0.970 406 Q CA 1.490 57.319 55.803 0.042 0.000 0.865 406 Q CB -0.180 28.585 28.738 0.045 0.000 0.922 406 Q HN 0.892 nan 8.270 nan 0.000 0.445 407 R N 0.067 120.599 120.500 0.053 0.000 2.300 407 R HA 0.170 4.510 4.340 -0.000 0.000 0.199 407 R C 0.953 177.270 176.300 0.028 0.000 0.920 407 R CA 0.326 56.451 56.100 0.042 0.000 1.046 407 R CB -0.025 30.309 30.300 0.057 0.000 0.984 407 R HN -0.127 nan 8.270 nan 0.000 0.493 408 K N 0.000 120.418 120.400 0.030 0.000 2.780 408 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 408 K CA 0.000 56.296 56.287 0.015 0.000 0.838 408 K CB 0.000 nan 32.500 nan 0.000 1.064 408 K HN 0.000 nan 8.250 nan 0.000 0.543