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 1ynh_1_C DATA FIRST_RESID 3 DATA SEQUENCE AWEVNFDGLV GLTHHYAGLS FGNEASTRHR FQVSNPRLAA KQGLLKMKAL DATA SEQUENCE ADAGFPQAVI PPHERPFIPV LRQLGFSGSD EQVLEKVARQ APHWLSSVSS DATA SEQUENCE ASPMWVANAA TIAPSADTLD GKVHLTVANL NNKFHRSLEA PVTESLLKAI DATA SEQUENCE FNDEEKFSVH SALPQVALLG DEGAANHNRL GGHYGEPGMQ LFVYGREEGN DATA SEQUENCE DTRPSRYPAR QTREASEAVA RLNQVNPQQV IFAQQNPDVI DQGVFHNDVI DATA SEQUENCE AVSNRQVLFC HQQAFARQSQ LLANLRARVN GFMAIEVPAT QVSVSDTVST DATA SEQUENCE YLFNSQLLSR DDGSMMLVLP QECREHAGVW GYLNELLAAD NPISELKVFD DATA SEQUENCE LRESMANGGG PACLRLRVVL TEEERRAVNP AVMMNDTLFN ALNDWVDRYY DATA SEQUENCE RDRLTAADLA DPQLLREGRE ALDVLSQLLN LGSVYPFQR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.746 177.584 0.270 0.000 1.274 3 A CA 0.000 52.044 52.037 0.012 0.000 0.836 3 A CB 0.000 19.051 19.000 0.085 0.000 0.831 4 W N 0.421 121.799 121.300 0.130 0.000 2.736 4 W HA 0.665 5.325 4.660 -0.001 0.000 0.355 4 W C 0.236 176.741 176.519 -0.024 0.000 1.102 4 W CA -0.945 56.478 57.345 0.130 0.000 1.164 4 W CB 1.105 30.627 29.460 0.104 0.000 1.422 4 W HN 0.902 nan 8.180 nan 0.000 0.572 5 E N 1.205 121.405 120.200 0.001 0.000 2.130 5 E HA 0.404 4.753 4.350 -0.001 0.000 0.284 5 E C -1.192 175.437 176.600 0.049 0.000 1.018 5 E CA -0.189 56.068 56.400 -0.238 0.000 0.817 5 E CB 1.032 30.256 29.700 -0.794 0.000 1.078 5 E HN 0.160 nan 8.360 nan 0.000 0.396 6 V N 5.377 125.381 119.914 0.151 0.000 2.398 6 V HA 0.228 4.347 4.120 -0.001 0.000 0.286 6 V C -0.072 176.156 176.094 0.222 0.000 1.026 6 V CA -1.039 61.374 62.300 0.188 0.000 0.868 6 V CB 1.433 33.414 31.823 0.264 0.000 0.982 6 V HN 0.666 nan 8.190 nan 0.000 0.443 7 N N 3.965 122.718 118.700 0.089 0.000 2.419 7 N HA 0.435 5.174 4.740 -0.001 0.000 0.264 7 N C -1.078 174.460 175.510 0.045 0.000 1.031 7 N CA -0.106 53.013 53.050 0.116 0.000 0.951 7 N CB 1.272 39.782 38.487 0.037 0.000 1.101 7 N HN 0.433 nan 8.380 nan 0.000 0.488 8 F N 1.096 121.069 119.950 0.039 0.000 2.388 8 F HA 0.281 4.807 4.527 -0.001 0.000 0.358 8 F C 0.435 176.251 175.800 0.027 0.000 1.122 8 F CA -0.856 57.166 58.000 0.037 0.000 1.056 8 F CB 1.060 40.102 39.000 0.069 0.000 1.155 8 F HN 0.223 nan 8.300 nan 0.000 0.461 9 D N 1.215 121.688 120.400 0.121 0.000 2.181 9 D HA 0.477 5.117 4.640 -0.001 0.000 0.248 9 D C 0.225 176.566 176.300 0.069 0.000 1.020 9 D CA -0.283 53.763 54.000 0.077 0.000 0.891 9 D CB 1.586 42.397 40.800 0.018 0.000 1.187 9 D HN 0.635 nan 8.370 nan 0.000 0.443 10 G N 0.862 109.687 108.800 0.042 0.000 2.339 10 G HA2 0.385 4.344 3.960 -0.001 0.000 0.287 10 G HA3 0.385 4.344 3.960 -0.001 0.000 0.287 10 G C -0.550 174.339 174.900 -0.019 0.000 1.163 10 G CA -0.419 44.687 45.100 0.010 0.000 0.872 10 G HN 0.353 nan 8.290 nan 0.000 0.464 11 L N 4.742 125.972 121.223 0.011 0.000 2.385 11 L HA 0.283 4.622 4.340 -0.001 0.000 0.281 11 L C 0.522 177.422 176.870 0.049 0.000 1.106 11 L CA -0.277 54.581 54.840 0.029 0.000 0.856 11 L CB 0.798 42.882 42.059 0.043 0.000 1.186 11 L HN 0.283 nan 8.230 nan 0.000 0.453 12 V N 5.708 125.625 119.914 0.005 0.000 2.720 12 V HA 0.152 4.272 4.120 -0.001 0.000 0.307 12 V C 1.358 177.573 176.094 0.202 0.000 1.071 12 V CA 0.536 62.827 62.300 -0.015 0.000 1.199 12 V CB -0.014 31.752 31.823 -0.095 0.000 0.900 12 V HN 0.987 nan 8.190 nan 0.000 0.494 13 G N 3.542 112.402 108.800 0.100 0.000 2.539 13 G HA2 0.407 4.367 3.960 -0.001 0.000 0.258 13 G HA3 0.407 4.367 3.960 -0.001 0.000 0.258 13 G C 0.573 175.474 174.900 0.001 0.000 1.202 13 G CA -0.479 44.686 45.100 0.108 0.000 0.851 13 G HN 1.011 nan 8.290 nan 0.000 0.556 14 L N -0.314 120.669 121.223 -0.401 0.000 2.610 14 L HA 0.188 4.528 4.340 -0.001 0.000 0.232 14 L C 1.895 178.588 176.870 -0.296 0.000 1.149 14 L CA 1.562 55.964 54.840 -0.731 0.000 0.872 14 L CB -0.787 40.499 42.059 -1.287 0.000 0.992 14 L HN 0.447 nan 8.230 nan 0.000 0.447 15 T N -4.490 109.975 114.554 -0.148 0.000 3.145 15 T HA 0.120 4.470 4.350 -0.001 0.000 0.255 15 T C 0.657 175.390 174.700 0.055 0.000 1.039 15 T CA -0.194 61.862 62.100 -0.074 0.000 0.928 15 T CB -1.085 67.747 68.868 -0.059 0.000 1.029 15 T HN 0.504 nan 8.240 nan 0.000 0.554 16 H N 3.739 122.773 119.070 -0.060 0.000 3.192 16 H HA 0.183 4.739 4.556 -0.001 0.000 0.295 16 H C 0.298 175.567 175.328 -0.098 0.000 0.943 16 H CA 0.662 56.647 56.048 -0.106 0.000 1.416 16 H CB -0.195 29.490 29.762 -0.128 0.000 1.434 16 H HN 0.658 nan 8.280 nan 0.000 0.565 17 H N 3.080 121.688 119.070 -0.769 0.000 2.981 17 H HA 0.172 4.728 4.556 -0.001 0.000 0.327 17 H C -1.694 173.173 175.328 -0.769 0.000 1.342 17 H CA -1.039 54.527 56.048 -0.804 0.000 1.123 17 H CB 0.117 29.668 29.762 -0.352 0.000 1.851 17 H HN 0.606 nan 8.280 nan 0.000 0.531 18 Y N 0.621 120.742 120.300 -0.299 0.000 2.434 18 Y HA 0.564 5.114 4.550 -0.001 0.000 0.341 18 Y C 0.694 176.299 175.900 -0.491 0.000 0.965 18 Y CA -0.257 57.648 58.100 -0.326 0.000 1.205 18 Y CB 1.673 40.037 38.460 -0.159 0.000 1.121 18 Y HN 0.818 nan 8.280 nan 0.000 0.507 19 A N 2.398 124.911 122.820 -0.512 0.000 2.469 19 A HA 0.435 4.755 4.320 -0.001 0.000 0.245 19 A C 1.507 178.699 177.584 -0.653 0.000 1.221 19 A CA 0.110 51.691 52.037 -0.760 0.000 0.946 19 A CB -0.463 18.286 19.000 -0.419 0.000 1.049 19 A HN 1.118 nan 8.150 nan 0.000 0.529 20 G N 0.258 108.816 108.800 -0.403 0.000 2.393 20 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.299 20 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.299 20 G C 0.520 175.294 174.900 -0.209 0.000 0.990 20 G CA 0.693 45.648 45.100 -0.242 0.000 1.118 20 G HN 0.543 nan 8.290 nan 0.000 0.513 21 L N -0.542 120.526 121.223 -0.260 0.000 2.567 21 L HA 0.177 4.517 4.340 -0.001 0.000 0.225 21 L C 1.122 177.958 176.870 -0.057 0.000 1.119 21 L CA 0.544 55.243 54.840 -0.235 0.000 0.871 21 L CB 0.338 42.057 42.059 -0.566 0.000 1.036 21 L HN 0.276 nan 8.230 nan 0.000 0.459 22 S N 0.788 116.443 115.700 -0.075 0.000 2.457 22 S HA 0.249 4.718 4.470 -0.001 0.000 0.216 22 S C -0.340 174.170 174.600 -0.150 0.000 1.392 22 S CA -0.539 57.612 58.200 -0.082 0.000 1.102 22 S CB -0.019 63.055 63.200 -0.210 0.000 1.114 22 S HN 0.097 nan 8.310 nan 0.000 0.484 23 F N 2.936 122.778 119.950 -0.180 0.000 2.602 23 F HA 0.434 4.961 4.527 -0.001 0.000 0.385 23 F C 1.294 176.901 175.800 -0.322 0.000 1.063 23 F CA 1.142 59.031 58.000 -0.184 0.000 1.233 23 F CB -0.107 38.860 39.000 -0.055 0.000 1.067 23 F HN 0.696 nan 8.300 nan 0.000 0.564 24 G N 3.981 112.068 108.800 -1.188 0.000 2.253 24 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.209 24 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.209 24 G C -0.056 174.215 174.900 -1.048 0.000 0.997 24 G CA -0.000 44.192 45.100 -1.513 0.000 0.640 24 G HN 0.856 nan 8.290 nan 0.000 0.496 25 N N 1.541 119.721 118.700 -0.867 0.000 2.817 25 N HA 0.350 5.090 4.740 -0.001 0.000 0.234 25 N C 1.226 176.482 175.510 -0.422 0.000 1.066 25 N CA 0.083 52.627 53.050 -0.844 0.000 0.926 25 N CB 0.513 38.311 38.487 -1.149 0.000 1.176 25 N HN 0.526 nan 8.380 nan 0.000 0.506 26 E N 1.554 121.589 120.200 -0.275 0.000 2.130 26 E HA -0.235 4.115 4.350 -0.001 0.000 0.196 26 E C 1.431 177.992 176.600 -0.065 0.000 0.998 26 E CA 1.568 57.886 56.400 -0.137 0.000 0.806 26 E CB 0.034 29.713 29.700 -0.035 0.000 0.738 26 E HN 0.706 nan 8.360 nan 0.000 0.459 27 A N 1.306 124.117 122.820 -0.014 0.000 1.877 27 A HA -0.241 4.078 4.320 -0.001 0.000 0.216 27 A C 2.322 179.948 177.584 0.070 0.000 1.186 27 A CA 1.926 53.999 52.037 0.060 0.000 0.620 27 A CB -0.809 18.203 19.000 0.021 0.000 0.822 27 A HN 0.260 nan 8.150 nan 0.000 0.443 28 S N -0.906 114.768 115.700 -0.043 0.000 2.359 28 S HA -0.205 4.265 4.470 -0.001 0.000 0.223 28 S C 2.075 176.641 174.600 -0.057 0.000 1.039 28 S CA 2.567 60.734 58.200 -0.054 0.000 1.042 28 S CB -0.797 62.304 63.200 -0.165 0.000 0.915 28 S HN 0.623 nan 8.310 nan 0.000 0.439 29 T N 2.076 116.581 114.554 -0.083 0.000 2.708 29 T HA -0.030 4.320 4.350 -0.001 0.000 0.266 29 T C 1.995 176.658 174.700 -0.061 0.000 1.037 29 T CA 1.306 63.375 62.100 -0.052 0.000 1.146 29 T CB -0.308 68.548 68.868 -0.020 0.000 0.865 29 T HN 0.426 nan 8.240 nan 0.000 0.435 30 R N 0.252 120.688 120.500 -0.107 0.000 2.120 30 R HA -0.045 4.294 4.340 -0.001 0.000 0.234 30 R C 1.790 177.873 176.300 -0.361 0.000 1.123 30 R CA 0.994 56.959 56.100 -0.225 0.000 0.975 30 R CB -0.200 29.916 30.300 -0.305 0.000 0.866 30 R HN 0.536 nan 8.270 nan 0.000 0.446 31 H N 0.097 119.092 119.070 -0.125 0.000 2.517 31 H HA 0.162 4.717 4.556 -0.001 0.000 0.282 31 H C 0.044 175.287 175.328 -0.142 0.000 1.023 31 H CA -0.203 55.723 56.048 -0.204 0.000 1.169 31 H CB 0.173 29.681 29.762 -0.423 0.000 1.454 31 H HN -0.012 nan 8.280 nan 0.000 0.556 32 R N 0.603 121.088 120.500 -0.025 0.000 2.504 32 R HA -0.182 4.157 4.340 -0.001 0.000 0.302 32 R C 0.037 176.390 176.300 0.089 0.000 0.893 32 R CA 0.426 56.486 56.100 -0.068 0.000 1.138 32 R CB -0.413 29.925 30.300 0.063 0.000 0.880 32 R HN 0.290 nan 8.270 nan 0.000 0.415 33 F N -1.376 118.656 119.950 0.137 0.000 3.021 33 F HA -0.385 4.141 4.527 -0.001 0.000 0.294 33 F C 1.166 177.050 175.800 0.140 0.000 0.761 33 F CA 1.331 59.417 58.000 0.143 0.000 1.102 33 F CB -1.575 37.485 39.000 0.100 0.000 1.380 33 F HN 0.626 nan 8.300 nan 0.000 0.387 34 Q N 0.464 120.408 119.800 0.241 0.000 2.368 34 Q HA 0.528 4.867 4.340 -0.001 0.000 0.237 34 Q C 0.230 176.387 176.000 0.261 0.000 0.987 34 Q CA -0.680 55.236 55.803 0.189 0.000 0.896 34 Q CB 1.577 30.365 28.738 0.085 0.000 1.241 34 Q HN 0.115 nan 8.270 nan 0.000 0.485 35 V N 2.453 122.483 119.914 0.193 0.000 2.763 35 V HA 0.102 4.222 4.120 -0.001 0.000 0.306 35 V C 0.455 176.697 176.094 0.246 0.000 1.059 35 V CA 0.283 62.691 62.300 0.180 0.000 1.138 35 V CB 0.590 32.483 31.823 0.116 0.000 0.940 35 V HN 0.930 nan 8.190 nan 0.000 0.489 36 S N 2.880 118.676 115.700 0.159 0.000 2.704 36 S HA 0.523 4.992 4.470 -0.001 0.000 0.305 36 S C -0.486 174.179 174.600 0.108 0.000 1.107 36 S CA -0.877 57.389 58.200 0.111 0.000 0.993 36 S CB 1.525 64.483 63.200 -0.403 0.000 1.110 36 S HN 0.784 nan 8.310 nan 0.000 0.534 37 N N 0.976 119.789 118.700 0.190 0.000 2.716 37 N HA 0.375 5.115 4.740 -0.001 0.000 0.253 37 N C -2.390 173.266 175.510 0.244 0.000 1.170 37 N CA -2.067 51.087 53.050 0.174 0.000 0.807 37 N CB 1.311 39.886 38.487 0.146 0.000 1.183 37 N HN 0.284 nan 8.380 nan 0.000 0.524 38 P HA -0.199 nan 4.420 nan 0.000 0.215 38 P C 1.229 178.713 177.300 0.307 0.000 1.157 38 P CA 1.098 64.379 63.100 0.301 0.000 0.874 38 P CB 0.230 32.044 31.700 0.189 0.000 0.790 39 R N -0.526 120.126 120.500 0.253 0.000 2.083 39 R HA -0.163 4.176 4.340 -0.001 0.000 0.237 39 R C 2.124 178.437 176.300 0.023 0.000 1.137 39 R CA 1.383 57.553 56.100 0.116 0.000 0.951 39 R CB -1.107 29.243 30.300 0.084 0.000 0.851 39 R HN 0.067 nan 8.270 nan 0.000 0.434 40 L N 0.551 121.809 121.223 0.059 0.000 2.093 40 L HA -0.009 4.331 4.340 -0.001 0.000 0.208 40 L C 2.202 179.084 176.870 0.021 0.000 1.085 40 L CA 2.046 56.911 54.840 0.041 0.000 0.755 40 L CB -0.709 41.390 42.059 0.067 0.000 0.904 40 L HN 0.259 nan 8.230 nan 0.000 0.435 41 A N -0.293 122.537 122.820 0.016 0.000 1.865 41 A HA -0.152 4.168 4.320 -0.001 0.000 0.217 41 A C 2.469 180.002 177.584 -0.086 0.000 1.191 41 A CA 2.090 54.073 52.037 -0.090 0.000 0.623 41 A CB -1.275 17.523 19.000 -0.335 0.000 0.826 41 A HN 0.568 nan 8.150 nan 0.000 0.444 42 A N -0.580 122.198 122.820 -0.070 0.000 1.902 42 A HA -0.136 4.184 4.320 -0.001 0.000 0.217 42 A C 2.109 179.646 177.584 -0.080 0.000 1.181 42 A CA 1.850 53.829 52.037 -0.097 0.000 0.623 42 A CB -0.355 18.494 19.000 -0.252 0.000 0.818 42 A HN 0.363 nan 8.150 nan 0.000 0.443 43 K N -0.009 120.347 120.400 -0.074 0.000 2.002 43 K HA -0.173 4.147 4.320 -0.001 0.000 0.209 43 K C 2.156 178.774 176.600 0.029 0.000 1.048 43 K CA 1.765 58.033 56.287 -0.031 0.000 0.930 43 K CB -0.801 31.684 32.500 -0.024 0.000 0.714 43 K HN 0.700 nan 8.250 nan 0.000 0.438 44 Q N -0.398 119.419 119.800 0.029 0.000 2.096 44 Q HA -0.167 4.172 4.340 -0.001 0.000 0.208 44 Q C 2.185 178.212 176.000 0.044 0.000 0.993 44 Q CA 1.830 57.667 55.803 0.056 0.000 0.862 44 Q CB -0.480 28.286 28.738 0.047 0.000 0.915 44 Q HN 0.522 nan 8.270 nan 0.000 0.416 45 G N 0.559 109.364 108.800 0.007 0.000 2.418 45 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.217 45 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.217 45 G C 1.379 176.286 174.900 0.012 0.000 1.158 45 G CA 0.516 45.610 45.100 -0.011 0.000 0.771 45 G HN 0.183 nan 8.290 nan 0.000 0.545 46 L N -0.120 121.137 121.223 0.056 0.000 2.083 46 L HA 0.028 4.367 4.340 -0.001 0.000 0.209 46 L C 2.879 179.909 176.870 0.268 0.000 1.083 46 L CA 0.390 55.323 54.840 0.154 0.000 0.752 46 L CB -0.292 41.842 42.059 0.125 0.000 0.899 46 L HN 0.187 nan 8.230 nan 0.000 0.433 47 L N -0.291 121.070 121.223 0.229 0.000 2.046 47 L HA -0.241 4.098 4.340 -0.001 0.000 0.208 47 L C 2.790 179.717 176.870 0.095 0.000 1.077 47 L CA 1.231 56.202 54.840 0.218 0.000 0.747 47 L CB -0.519 41.670 42.059 0.217 0.000 0.896 47 L HN 0.253 nan 8.230 nan 0.000 0.432 48 K N 0.296 120.666 120.400 -0.050 0.000 2.057 48 K HA -0.154 4.165 4.320 -0.001 0.000 0.206 48 K C 2.099 178.545 176.600 -0.258 0.000 1.050 48 K CA 1.449 57.479 56.287 -0.428 0.000 0.935 48 K CB -0.070 32.053 32.500 -0.628 0.000 0.715 48 K HN 0.255 nan 8.250 nan 0.000 0.439 49 M N 0.661 120.193 119.600 -0.113 0.000 2.065 49 M HA -0.218 4.262 4.480 -0.001 0.000 0.259 49 M C 2.312 178.572 176.300 -0.066 0.000 1.071 49 M CA 1.868 57.128 55.300 -0.066 0.000 1.109 49 M CB -0.383 32.216 32.600 -0.001 0.000 1.313 49 M HN -0.036 nan 8.290 nan 0.000 0.408 50 K N 0.769 121.116 120.400 -0.089 0.000 2.063 50 K HA -0.105 4.215 4.320 -0.001 0.000 0.208 50 K C 1.777 178.279 176.600 -0.164 0.000 1.048 50 K CA 1.960 58.087 56.287 -0.268 0.000 0.928 50 K CB -0.604 31.415 32.500 -0.802 0.000 0.713 50 K HN 0.298 nan 8.250 nan 0.000 0.442 51 A N 0.655 123.448 122.820 -0.044 0.000 1.883 51 A HA -0.112 4.207 4.320 -0.001 0.000 0.217 51 A C 2.252 179.913 177.584 0.128 0.000 1.186 51 A CA 1.771 53.865 52.037 0.094 0.000 0.624 51 A CB -0.721 18.499 19.000 0.366 0.000 0.822 51 A HN 0.330 nan 8.150 nan 0.000 0.444 52 L N -1.009 120.280 121.223 0.110 0.000 2.093 52 L HA -0.134 4.206 4.340 -0.001 0.000 0.208 52 L C 3.077 180.063 176.870 0.193 0.000 1.085 52 L CA 0.891 55.857 54.840 0.211 0.000 0.755 52 L CB -0.664 41.447 42.059 0.086 0.000 0.904 52 L HN 0.444 nan 8.230 nan 0.000 0.435 53 A N 0.202 123.050 122.820 0.048 0.000 1.902 53 A HA -0.224 4.096 4.320 -0.001 0.000 0.217 53 A C 1.915 179.473 177.584 -0.044 0.000 1.181 53 A CA 1.980 54.012 52.037 -0.008 0.000 0.623 53 A CB -0.452 18.514 19.000 -0.056 0.000 0.818 53 A HN 0.354 nan 8.150 nan 0.000 0.443 54 D N 0.086 120.455 120.400 -0.050 0.000 2.144 54 D HA 0.007 4.647 4.640 -0.001 0.000 0.200 54 D C 1.988 178.245 176.300 -0.072 0.000 0.978 54 D CA 1.324 55.282 54.000 -0.070 0.000 0.833 54 D CB -0.420 40.335 40.800 -0.075 0.000 0.961 54 D HN 0.430 nan 8.370 nan 0.000 0.470 55 A N -0.009 122.803 122.820 -0.014 0.000 2.248 55 A HA 0.273 4.593 4.320 -0.001 0.000 0.210 55 A C 1.779 179.134 177.584 -0.383 0.000 1.174 55 A CA 1.374 53.380 52.037 -0.051 0.000 0.750 55 A CB -0.426 18.719 19.000 0.241 0.000 0.780 55 A HN 0.300 nan 8.150 nan 0.000 0.478 56 G N -2.492 106.101 108.800 -0.346 0.000 2.159 56 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.227 56 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.227 56 G C -0.101 174.431 174.900 -0.614 0.000 0.986 56 G CA -0.007 44.795 45.100 -0.497 0.000 0.651 56 G HN 0.419 nan 8.290 nan 0.000 0.523 57 F N 1.403 121.289 119.950 -0.106 0.000 2.361 57 F HA 0.492 5.018 4.527 -0.001 0.000 0.364 57 F C -1.698 174.050 175.800 -0.088 0.000 1.120 57 F CA -2.483 55.458 58.000 -0.099 0.000 1.102 57 F CB 1.361 40.331 39.000 -0.049 0.000 1.183 57 F HN -0.182 nan 8.300 nan 0.000 0.476 58 P HA -0.112 nan 4.420 nan 0.000 0.259 58 P C -0.814 176.495 177.300 0.014 0.000 1.155 58 P CA 0.514 63.645 63.100 0.052 0.000 0.759 58 P CB 0.418 32.219 31.700 0.168 0.000 0.753 59 Q N 2.584 122.346 119.800 -0.063 0.000 2.359 59 Q HA 0.769 5.109 4.340 -0.001 0.000 0.274 59 Q C -1.700 174.137 176.000 -0.273 0.000 1.074 59 Q CA -0.779 54.940 55.803 -0.140 0.000 0.810 59 Q CB 2.056 30.751 28.738 -0.072 0.000 1.342 59 Q HN 0.448 nan 8.270 nan 0.000 0.427 60 A N 1.855 124.408 122.820 -0.445 0.000 2.552 60 A HA 0.915 5.235 4.320 -0.001 0.000 0.288 60 A C -1.597 175.806 177.584 -0.302 0.000 1.193 60 A CA -0.411 51.300 52.037 -0.545 0.000 0.713 60 A CB 1.664 19.907 19.000 -1.262 0.000 1.305 60 A HN 0.749 nan 8.150 nan 0.000 0.424 61 V N 0.201 120.017 119.914 -0.164 0.000 2.876 61 V HA 0.690 4.810 4.120 -0.001 0.000 0.312 61 V C -1.451 174.687 176.094 0.075 0.000 1.085 61 V CA -0.651 61.637 62.300 -0.019 0.000 0.945 61 V CB 1.737 33.535 31.823 -0.041 0.000 1.017 61 V HN 0.712 nan 8.190 nan 0.000 0.428 62 I N 7.494 128.127 120.570 0.104 0.000 2.433 62 I HA 0.479 4.648 4.170 -0.001 0.000 0.292 62 I C -2.344 173.820 176.117 0.080 0.000 1.001 62 I CA -2.017 59.352 61.300 0.114 0.000 1.119 62 I CB 2.654 40.746 38.000 0.153 0.000 1.289 62 I HN 0.510 nan 8.210 nan 0.000 0.438 63 P HA 0.246 nan 4.420 nan 0.000 0.274 63 P C -2.671 174.768 177.300 0.232 0.000 1.237 63 P CA -1.353 61.814 63.100 0.111 0.000 0.793 63 P CB 0.204 31.973 31.700 0.115 0.000 0.977 64 P HA 0.163 nan 4.420 nan 0.000 0.277 64 P C -0.181 177.371 177.300 0.420 0.000 1.276 64 P CA 0.069 63.318 63.100 0.248 0.000 0.788 64 P CB 0.795 32.614 31.700 0.200 0.000 1.114 65 H N -1.903 117.197 119.070 0.050 0.000 2.649 65 H HA 0.233 4.789 4.556 -0.001 0.000 0.337 65 H C 0.006 175.270 175.328 -0.107 0.000 1.282 65 H CA -0.884 55.190 56.048 0.044 0.000 1.333 65 H CB 1.137 30.894 29.762 -0.009 0.000 1.787 65 H HN 0.453 nan 8.280 nan 0.000 0.632 66 E N 1.899 122.124 120.200 0.042 0.000 2.238 66 E HA 0.009 4.358 4.350 -0.001 0.000 0.264 66 E C -0.721 175.941 176.600 0.103 0.000 1.136 66 E CA -0.169 56.245 56.400 0.022 0.000 0.929 66 E CB 0.171 30.052 29.700 0.301 0.000 1.010 66 E HN 0.277 nan 8.360 nan 0.000 0.440 67 R N 4.596 125.097 120.500 0.002 0.000 2.604 67 R HA 0.363 4.702 4.340 -0.001 0.000 0.281 67 R C -2.671 173.603 176.300 -0.043 0.000 1.020 67 R CA -2.219 53.899 56.100 0.030 0.000 0.899 67 R CB 1.389 31.694 30.300 0.008 0.000 1.205 67 R HN 0.447 nan 8.270 nan 0.000 0.450 68 P HA 0.075 nan 4.420 nan 0.000 0.269 68 P C -0.586 176.812 177.300 0.162 0.000 1.209 68 P CA -0.187 62.951 63.100 0.063 0.000 0.776 68 P CB 0.326 32.037 31.700 0.018 0.000 0.876 69 F N 3.975 123.946 119.950 0.035 0.000 2.384 69 F HA 0.182 4.709 4.527 -0.001 0.000 0.359 69 F C 1.102 176.953 175.800 0.085 0.000 1.143 69 F CA -0.479 57.560 58.000 0.064 0.000 1.216 69 F CB -0.369 38.683 39.000 0.086 0.000 1.512 69 F HN 0.165 nan 8.300 nan 0.000 0.573 70 I N 5.885 126.385 120.570 -0.117 0.000 2.264 70 I HA -0.177 3.993 4.170 -0.001 0.000 0.248 70 I C -0.474 175.517 176.117 -0.210 0.000 1.111 70 I CA 0.988 62.218 61.300 -0.117 0.000 1.382 70 I CB -2.042 35.909 38.000 -0.081 0.000 1.060 70 I HN 0.348 nan 8.210 nan 0.000 0.418 71 P HA -0.124 nan 4.420 nan 0.000 0.216 71 P C 2.230 179.415 177.300 -0.191 0.000 1.153 71 P CA 1.167 64.016 63.100 -0.418 0.000 0.858 71 P CB 0.034 31.283 31.700 -0.752 0.000 0.789 72 V N -0.881 118.945 119.914 -0.147 0.000 2.515 72 V HA -0.194 3.925 4.120 -0.001 0.000 0.250 72 V C 2.356 178.586 176.094 0.227 0.000 1.058 72 V CA 1.468 63.873 62.300 0.175 0.000 1.064 72 V CB -1.125 30.924 31.823 0.377 0.000 0.675 72 V HN 0.096 nan 8.190 nan 0.000 0.461 73 L N -0.609 120.728 121.223 0.190 0.000 2.093 73 L HA -0.145 4.195 4.340 -0.001 0.000 0.208 73 L C 2.751 179.775 176.870 0.257 0.000 1.085 73 L CA 1.520 56.524 54.840 0.274 0.000 0.755 73 L CB -0.559 41.611 42.059 0.185 0.000 0.904 73 L HN 0.240 nan 8.230 nan 0.000 0.435 74 R N -0.383 120.196 120.500 0.132 0.000 2.092 74 R HA -0.180 4.159 4.340 -0.001 0.000 0.231 74 R C 2.252 178.591 176.300 0.065 0.000 1.119 74 R CA 1.057 57.212 56.100 0.091 0.000 0.970 74 R CB -0.244 30.078 30.300 0.037 0.000 0.864 74 R HN 0.401 nan 8.270 nan 0.000 0.440 75 Q N 0.769 120.618 119.800 0.082 0.000 2.226 75 Q HA -0.084 4.256 4.340 -0.001 0.000 0.204 75 Q C 1.480 177.514 176.000 0.058 0.000 0.975 75 Q CA 0.988 56.838 55.803 0.079 0.000 0.866 75 Q CB 0.144 28.959 28.738 0.128 0.000 0.915 75 Q HN 0.348 nan 8.270 nan 0.000 0.440 76 L N -1.017 120.255 121.223 0.081 0.000 2.612 76 L HA 0.161 4.501 4.340 -0.001 0.000 0.230 76 L C 1.056 177.783 176.870 -0.239 0.000 1.140 76 L CA 0.506 55.335 54.840 -0.019 0.000 0.896 76 L CB 0.225 42.341 42.059 0.094 0.000 1.065 76 L HN 0.508 nan 8.230 nan 0.000 0.447 77 G N -0.558 108.130 108.800 -0.187 0.000 2.176 77 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.232 77 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.232 77 G C 0.120 174.804 174.900 -0.359 0.000 0.986 77 G CA -0.561 44.356 45.100 -0.305 0.000 0.643 77 G HN 0.188 nan 8.290 nan 0.000 0.522 78 F N 2.079 122.011 119.950 -0.029 0.000 2.424 78 F HA 0.674 5.201 4.527 -0.001 0.000 0.356 78 F C 0.874 176.665 175.800 -0.015 0.000 1.110 78 F CA 0.203 58.190 58.000 -0.023 0.000 1.161 78 F CB 1.766 40.758 39.000 -0.013 0.000 1.115 78 F HN 0.095 nan 8.300 nan 0.000 0.507 79 S N 2.012 117.795 115.700 0.138 0.000 2.689 79 S HA 0.934 5.404 4.470 -0.001 0.000 0.306 79 S C -0.012 174.630 174.600 0.070 0.000 1.104 79 S CA 0.246 58.492 58.200 0.077 0.000 0.973 79 S CB 1.556 64.775 63.200 0.031 0.000 1.121 79 S HN 1.180 nan 8.310 nan 0.000 0.523 80 G N 1.289 110.115 108.800 0.043 0.000 2.306 80 G HA2 0.086 4.046 3.960 -0.001 0.000 0.262 80 G HA3 0.086 4.046 3.960 -0.001 0.000 0.262 80 G C -0.365 174.549 174.900 0.023 0.000 1.263 80 G CA -0.154 44.964 45.100 0.031 0.000 1.088 80 G HN 1.673 nan 8.290 nan 0.000 0.489 81 S N -0.190 115.520 115.700 0.015 0.000 2.652 81 S HA 0.521 4.990 4.470 -0.001 0.000 0.270 81 S C 0.970 175.573 174.600 0.004 0.000 1.243 81 S CA 0.724 58.929 58.200 0.009 0.000 0.999 81 S CB 1.564 64.767 63.200 0.006 0.000 0.973 81 S HN 0.579 nan 8.310 nan 0.000 0.544 82 D N 1.230 121.629 120.400 -0.001 0.000 2.160 82 D HA -0.179 4.460 4.640 -0.001 0.000 0.189 82 D C 1.809 178.097 176.300 -0.020 0.000 1.003 82 D CA 2.161 56.154 54.000 -0.012 0.000 0.846 82 D CB -0.452 40.336 40.800 -0.019 0.000 0.949 82 D HN 0.822 nan 8.370 nan 0.000 0.446 83 E N 0.248 120.436 120.200 -0.020 0.000 2.110 83 E HA -0.191 4.159 4.350 -0.001 0.000 0.193 83 E C 2.253 178.838 176.600 -0.024 0.000 0.988 83 E CA 0.762 57.146 56.400 -0.026 0.000 0.804 83 E CB -0.096 29.591 29.700 -0.023 0.000 0.745 83 E HN 0.458 nan 8.360 nan 0.000 0.458 84 Q N 0.334 120.127 119.800 -0.012 0.000 2.020 84 Q HA -0.138 4.202 4.340 -0.001 0.000 0.202 84 Q C 2.473 178.468 176.000 -0.009 0.000 0.982 84 Q CA 1.441 57.241 55.803 -0.005 0.000 0.838 84 Q CB -0.138 28.606 28.738 0.009 0.000 0.899 84 Q HN 0.154 nan 8.270 nan 0.000 0.423 85 V N 1.150 121.064 119.914 -0.001 0.000 2.255 85 V HA -0.269 3.850 4.120 -0.001 0.000 0.247 85 V C 2.246 178.284 176.094 -0.093 0.000 1.051 85 V CA 1.515 63.811 62.300 -0.006 0.000 1.018 85 V CB -0.587 31.252 31.823 0.026 0.000 0.641 85 V HN 0.273 nan 8.190 nan 0.000 0.445 86 L N -0.004 121.176 121.223 -0.072 0.000 2.043 86 L HA -0.184 4.156 4.340 -0.001 0.000 0.212 86 L C 2.542 179.349 176.870 -0.104 0.000 1.075 86 L CA 2.031 56.818 54.840 -0.088 0.000 0.752 86 L CB -0.784 41.238 42.059 -0.062 0.000 0.891 86 L HN 0.388 nan 8.230 nan 0.000 0.432 87 E N -0.018 120.135 120.200 -0.079 0.000 2.015 87 E HA -0.230 4.120 4.350 -0.001 0.000 0.191 87 E C 2.169 178.714 176.600 -0.092 0.000 0.991 87 E CA 1.454 57.812 56.400 -0.069 0.000 0.802 87 E CB -0.018 29.657 29.700 -0.041 0.000 0.759 87 E HN 0.487 nan 8.360 nan 0.000 0.447 88 K N 0.169 120.515 120.400 -0.090 0.000 2.020 88 K HA -0.147 4.172 4.320 -0.001 0.000 0.212 88 K C 2.290 178.736 176.600 -0.257 0.000 1.050 88 K CA 1.765 57.997 56.287 -0.091 0.000 0.929 88 K CB -0.322 32.193 32.500 0.025 0.000 0.714 88 K HN 0.028 nan 8.250 nan 0.000 0.443 89 V N 1.396 120.999 119.914 -0.519 0.000 2.392 89 V HA -0.267 3.852 4.120 -0.001 0.000 0.249 89 V C 2.377 178.314 176.094 -0.261 0.000 1.059 89 V CA 1.980 63.883 62.300 -0.662 0.000 1.051 89 V CB -0.803 30.645 31.823 -0.626 0.000 0.658 89 V HN 0.391 nan 8.190 nan 0.000 0.455 90 A N 0.082 122.798 122.820 -0.173 0.000 1.933 90 A HA -0.195 4.125 4.320 -0.001 0.000 0.218 90 A C 2.384 179.919 177.584 -0.082 0.000 1.175 90 A CA 1.742 53.718 52.037 -0.102 0.000 0.628 90 A CB -0.371 18.578 19.000 -0.084 0.000 0.814 90 A HN 0.546 nan 8.150 nan 0.000 0.444 91 R N -1.315 119.140 120.500 -0.075 0.000 2.254 91 R HA 0.097 4.436 4.340 -0.001 0.000 0.195 91 R C 1.973 178.259 176.300 -0.023 0.000 0.957 91 R CA 0.875 56.949 56.100 -0.045 0.000 1.024 91 R CB 0.020 30.302 30.300 -0.030 0.000 0.952 91 R HN 0.648 nan 8.270 nan 0.000 0.484 92 Q N -0.571 119.217 119.800 -0.020 0.000 2.462 92 Q HA 0.245 4.585 4.340 -0.001 0.000 0.224 92 Q C 0.266 176.305 176.000 0.066 0.000 0.911 92 Q CA 0.534 56.364 55.803 0.045 0.000 0.925 92 Q CB 1.042 29.869 28.738 0.148 0.000 1.063 92 Q HN 0.137 nan 8.270 nan 0.000 0.572 93 A N 1.233 124.077 122.820 0.038 0.000 3.453 93 A HA 0.261 4.580 4.320 -0.001 0.000 0.262 93 A C -2.175 175.522 177.584 0.188 0.000 1.026 93 A CA -0.925 51.214 52.037 0.169 0.000 0.938 93 A CB 0.365 19.493 19.000 0.214 0.000 1.246 93 A HN -0.020 nan 8.150 nan 0.000 0.546 94 P HA -0.247 nan 4.420 nan 0.000 0.217 94 P C 0.841 178.194 177.300 0.088 0.000 1.148 94 P CA 1.421 64.514 63.100 -0.012 0.000 0.834 94 P CB -0.051 31.568 31.700 -0.135 0.000 0.783 95 H N -2.229 116.977 119.070 0.227 0.000 2.491 95 H HA -0.042 4.514 4.556 -0.001 0.000 0.290 95 H C 1.966 177.311 175.328 0.028 0.000 1.050 95 H CA 0.633 56.754 56.048 0.122 0.000 1.309 95 H CB -0.547 29.234 29.762 0.032 0.000 1.392 95 H HN 0.371 nan 8.280 nan 0.000 0.554 96 W N 0.465 121.897 121.300 0.220 0.000 2.770 96 W HA 0.008 4.668 4.660 -0.000 0.000 0.256 96 W C 1.926 178.551 176.519 0.177 0.000 1.291 96 W CA 0.016 57.494 57.345 0.221 0.000 1.396 96 W CB -0.136 29.450 29.460 0.209 0.000 1.114 96 W HN 0.188 nan 8.180 nan 0.000 0.637 97 L N -0.135 121.238 121.223 0.250 0.000 2.017 97 L HA -0.233 4.107 4.340 -0.001 0.000 0.208 97 L C 2.537 179.485 176.870 0.130 0.000 1.073 97 L CA 1.279 56.199 54.840 0.134 0.000 0.745 97 L CB -0.765 41.322 42.059 0.046 0.000 0.894 97 L HN -0.231 nan 8.230 nan 0.000 0.432 98 S N -0.753 115.040 115.700 0.156 0.000 2.368 98 S HA -0.180 4.289 4.470 -0.001 0.000 0.225 98 S C 2.109 176.817 174.600 0.180 0.000 1.030 98 S CA 1.544 59.880 58.200 0.226 0.000 0.999 98 S CB -0.134 63.251 63.200 0.309 0.000 0.844 98 S HN 0.380 nan 8.310 nan 0.000 0.459 99 S N 1.032 116.810 115.700 0.130 0.000 2.400 99 S HA -0.099 4.371 4.470 -0.001 0.000 0.232 99 S C 1.745 176.456 174.600 0.185 0.000 1.025 99 S CA 1.392 59.685 58.200 0.155 0.000 0.993 99 S CB -0.285 63.041 63.200 0.208 0.000 0.808 99 S HN 0.602 nan 8.310 nan 0.000 0.478 100 V N -1.952 118.093 119.914 0.218 0.000 3.376 100 V HA 0.434 4.554 4.120 -0.001 0.000 0.313 100 V C 0.505 176.707 176.094 0.180 0.000 1.393 100 V CA 0.047 62.479 62.300 0.219 0.000 1.125 100 V CB 0.437 32.435 31.823 0.292 0.000 1.037 100 V HN 0.220 nan 8.190 nan 0.000 0.440 101 S N -0.048 115.746 115.700 0.157 0.000 2.846 101 S HA 0.309 4.779 4.470 -0.001 0.000 0.249 101 S C 0.613 175.328 174.600 0.191 0.000 1.028 101 S CA 0.153 58.428 58.200 0.125 0.000 1.043 101 S CB 0.426 63.648 63.200 0.037 0.000 0.990 101 S HN 0.574 nan 8.310 nan 0.000 0.564 102 S N 1.734 117.528 115.700 0.157 0.000 2.565 102 S HA 0.549 5.018 4.470 -0.001 0.000 0.276 102 S C 0.841 175.446 174.600 0.007 0.000 1.326 102 S CA -0.331 57.915 58.200 0.076 0.000 1.045 102 S CB 0.926 64.169 63.200 0.072 0.000 0.918 102 S HN 0.445 nan 8.310 nan 0.000 0.505 103 A N 3.472 126.260 122.820 -0.053 0.000 2.411 103 A HA 0.233 4.553 4.320 -0.001 0.000 0.251 103 A C 1.809 179.201 177.584 -0.321 0.000 1.317 103 A CA 0.402 52.354 52.037 -0.142 0.000 0.904 103 A CB -0.843 18.100 19.000 -0.096 0.000 0.993 103 A HN 1.049 nan 8.150 nan 0.000 0.504 104 S N 1.372 116.967 115.700 -0.176 0.000 2.420 104 S HA -0.104 4.366 4.470 -0.001 0.000 0.237 104 S C -0.297 174.196 174.600 -0.178 0.000 1.023 104 S CA 1.356 59.507 58.200 -0.082 0.000 0.991 104 S CB -1.380 62.024 63.200 0.341 0.000 0.792 104 S HN 0.529 nan 8.310 nan 0.000 0.488 105 P HA -0.093 nan 4.420 nan 0.000 0.231 105 P C 1.697 178.838 177.300 -0.266 0.000 1.158 105 P CA 0.911 63.803 63.100 -0.347 0.000 0.763 105 P CB -0.499 30.657 31.700 -0.906 0.000 0.805 106 M N -3.765 115.582 119.600 -0.421 0.000 2.213 106 M HA -0.049 4.431 4.480 -0.001 0.000 0.263 106 M C 0.535 176.633 176.300 -0.338 0.000 1.062 106 M CA 1.405 56.437 55.300 -0.446 0.000 1.105 106 M CB -0.850 31.323 32.600 -0.712 0.000 1.385 106 M HN -0.168 nan 8.290 nan 0.000 0.417 107 W N 3.791 125.105 121.300 0.024 0.000 1.864 107 W HA 0.342 5.002 4.660 -0.001 0.000 0.425 107 W C 1.187 177.720 176.519 0.024 0.000 0.791 107 W CA -0.755 56.617 57.345 0.045 0.000 1.650 107 W CB -0.572 28.940 29.460 0.087 0.000 1.791 107 W HN 0.156 nan 8.180 nan 0.000 0.266 108 V N 0.436 120.446 119.914 0.159 0.000 3.444 108 V HA -0.084 4.035 4.120 -0.001 0.000 0.271 108 V C 1.850 177.998 176.094 0.089 0.000 1.188 108 V CA 1.562 63.926 62.300 0.106 0.000 1.168 108 V CB -0.916 30.965 31.823 0.096 0.000 0.810 108 V HN 0.297 nan 8.190 nan 0.000 0.500 109 A N 1.185 124.072 122.820 0.111 0.000 2.121 109 A HA -0.074 4.245 4.320 -0.001 0.000 0.218 109 A C 1.791 179.367 177.584 -0.013 0.000 1.154 109 A CA 1.829 53.893 52.037 0.045 0.000 0.679 109 A CB -0.792 18.233 19.000 0.041 0.000 0.795 109 A HN 0.709 nan 8.150 nan 0.000 0.458 110 N N -0.828 117.882 118.700 0.017 0.000 2.205 110 N HA 0.329 5.069 4.740 -0.001 0.000 0.201 110 N C 1.397 176.919 175.510 0.021 0.000 1.128 110 N CA 0.487 53.529 53.050 -0.013 0.000 0.867 110 N CB 0.274 38.771 38.487 0.018 0.000 0.996 110 N HN 0.381 nan 8.380 nan 0.000 0.503 111 A N 0.464 123.300 122.820 0.027 0.000 1.930 111 A HA 0.446 4.765 4.320 -0.001 0.000 0.217 111 A C 1.017 178.601 177.584 -0.001 0.000 1.175 111 A CA 1.489 53.541 52.037 0.024 0.000 0.627 111 A CB -0.006 19.011 19.000 0.028 0.000 0.815 111 A HN 0.319 nan 8.150 nan 0.000 0.443 112 A N -3.413 119.390 122.820 -0.029 0.000 2.483 112 A HA 0.579 4.899 4.320 -0.001 0.000 0.294 112 A C -0.658 176.879 177.584 -0.078 0.000 1.077 112 A CA -0.031 51.978 52.037 -0.046 0.000 0.633 112 A CB -0.071 18.881 19.000 -0.082 0.000 1.318 112 A HN 0.187 nan 8.150 nan 0.000 0.455 113 T N 1.554 116.055 114.554 -0.087 0.000 2.797 113 T HA 0.610 4.959 4.350 -0.001 0.000 0.279 113 T C -0.401 174.173 174.700 -0.211 0.000 0.991 113 T CA -0.263 61.727 62.100 -0.184 0.000 0.979 113 T CB 0.711 69.507 68.868 -0.119 0.000 0.943 113 T HN 0.448 nan 8.240 nan 0.000 0.444 114 I N 2.308 122.696 120.570 -0.303 0.000 2.460 114 I HA 0.687 4.856 4.170 -0.001 0.000 0.298 114 I C 0.085 176.107 176.117 -0.159 0.000 0.989 114 I CA -1.214 59.962 61.300 -0.208 0.000 1.173 114 I CB 1.364 39.257 38.000 -0.179 0.000 1.338 114 I HN 0.733 nan 8.210 nan 0.000 0.456 115 A N 7.726 130.530 122.820 -0.026 0.000 2.410 115 A HA 0.757 5.076 4.320 -0.001 0.000 0.289 115 A C -2.672 174.967 177.584 0.093 0.000 1.200 115 A CA -1.380 50.694 52.037 0.061 0.000 0.751 115 A CB 0.902 19.967 19.000 0.108 0.000 1.161 115 A HN 0.394 nan 8.150 nan 0.000 0.459 116 P HA 0.054 nan 4.420 nan 0.000 0.271 116 P C 1.229 178.596 177.300 0.112 0.000 1.233 116 P CA 0.231 63.390 63.100 0.099 0.000 0.789 116 P CB 0.710 32.474 31.700 0.106 0.000 0.951 117 S N 0.441 116.200 115.700 0.098 0.000 2.442 117 S HA -0.144 4.326 4.470 -0.001 0.000 0.236 117 S C 1.716 176.365 174.600 0.081 0.000 1.007 117 S CA 0.979 59.231 58.200 0.087 0.000 0.965 117 S CB -1.174 62.053 63.200 0.045 0.000 0.773 117 S HN 0.485 nan 8.310 nan 0.000 0.504 118 A N 1.247 124.118 122.820 0.084 0.000 2.167 118 A HA 0.101 4.421 4.320 -0.001 0.000 0.214 118 A C 1.354 178.983 177.584 0.075 0.000 1.151 118 A CA 1.000 53.084 52.037 0.077 0.000 0.735 118 A CB -0.193 18.860 19.000 0.089 0.000 0.802 118 A HN 0.459 nan 8.150 nan 0.000 0.467 119 D N -0.841 119.610 120.400 0.085 0.000 2.407 119 D HA 0.084 4.724 4.640 -0.001 0.000 0.208 119 D C 0.860 177.201 176.300 0.068 0.000 1.083 119 D CA 0.972 55.018 54.000 0.078 0.000 0.844 119 D CB 0.237 41.093 40.800 0.093 0.000 0.967 119 D HN 0.493 nan 8.370 nan 0.000 0.506 120 T N -1.965 112.638 114.554 0.082 0.000 2.934 120 T HA 0.390 4.740 4.350 -0.001 0.000 0.283 120 T C 1.468 176.200 174.700 0.053 0.000 1.005 120 T CA -0.681 61.460 62.100 0.067 0.000 1.041 120 T CB 1.483 70.453 68.868 0.170 0.000 1.042 120 T HN -0.141 nan 8.240 nan 0.000 0.505 121 L N 0.850 122.087 121.223 0.022 0.000 2.217 121 L HA 0.057 4.397 4.340 -0.001 0.000 0.211 121 L C 2.033 178.932 176.870 0.049 0.000 1.107 121 L CA 1.187 56.042 54.840 0.024 0.000 0.783 121 L CB -0.334 41.725 42.059 0.000 0.000 0.919 121 L HN 0.827 nan 8.230 nan 0.000 0.442 122 D N -1.096 119.359 120.400 0.092 0.000 2.369 122 D HA 0.058 4.697 4.640 -0.001 0.000 0.211 122 D C 1.354 177.706 176.300 0.086 0.000 1.077 122 D CA 0.580 54.639 54.000 0.098 0.000 0.842 122 D CB 0.328 41.212 40.800 0.141 0.000 0.947 122 D HN 0.166 nan 8.370 nan 0.000 0.509 123 G N 0.594 109.448 108.800 0.091 0.000 2.153 123 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.252 123 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.252 123 G C 0.147 175.074 174.900 0.044 0.000 0.994 123 G CA 0.499 45.635 45.100 0.061 0.000 0.698 123 G HN 0.478 nan 8.290 nan 0.000 0.521 124 K N -0.834 119.613 120.400 0.078 0.000 2.211 124 K HA 0.669 4.988 4.320 -0.001 0.000 0.237 124 K C 0.071 176.679 176.600 0.014 0.000 1.002 124 K CA -0.974 55.291 56.287 -0.036 0.000 0.885 124 K CB 2.220 34.619 32.500 -0.168 0.000 1.136 124 K HN -0.011 nan 8.250 nan 0.000 0.448 125 V N 2.700 122.584 119.914 -0.051 0.000 2.406 125 V HA 0.107 4.226 4.120 -0.001 0.000 0.272 125 V C -0.124 175.921 176.094 -0.081 0.000 1.043 125 V CA -0.323 62.007 62.300 0.050 0.000 0.915 125 V CB 0.391 32.337 31.823 0.205 0.000 0.988 125 V HN 0.570 nan 8.190 nan 0.000 0.466 126 H N 5.368 124.448 119.070 0.017 0.000 2.457 126 H HA 0.587 5.143 4.556 -0.001 0.000 0.335 126 H C -1.108 174.169 175.328 -0.084 0.000 1.115 126 H CA -0.614 55.436 56.048 0.004 0.000 1.219 126 H CB 2.150 31.997 29.762 0.142 0.000 1.471 126 H HN 0.360 nan 8.280 nan 0.000 0.491 127 L N 2.669 123.850 121.223 -0.070 0.000 2.404 127 L HA 0.227 4.567 4.340 -0.001 0.000 0.272 127 L C 0.107 176.955 176.870 -0.036 0.000 0.980 127 L CA -0.298 54.450 54.840 -0.153 0.000 0.836 127 L CB 1.926 43.756 42.059 -0.380 0.000 1.238 127 L HN 0.515 nan 8.230 nan 0.000 0.408 128 T N 2.385 116.964 114.554 0.041 0.000 2.772 128 T HA 0.471 4.821 4.350 -0.001 0.000 0.288 128 T C 0.142 174.863 174.700 0.035 0.000 0.994 128 T CA -0.463 61.699 62.100 0.102 0.000 0.951 128 T CB 1.281 70.233 68.868 0.141 0.000 0.933 128 T HN 0.170 nan 8.240 nan 0.000 0.447 129 V N 3.267 123.199 119.914 0.030 0.000 2.655 129 V HA 0.358 4.477 4.120 -0.001 0.000 0.300 129 V C 0.880 176.998 176.094 0.040 0.000 1.044 129 V CA -0.623 61.689 62.300 0.019 0.000 1.095 129 V CB 0.349 32.184 31.823 0.020 0.000 0.952 129 V HN 1.032 nan 8.190 nan 0.000 0.485 130 A N 4.040 126.882 122.820 0.037 0.000 2.366 130 A HA 0.398 4.718 4.320 -0.001 0.000 0.272 130 A C 1.140 178.757 177.584 0.054 0.000 1.135 130 A CA -0.332 51.736 52.037 0.052 0.000 0.804 130 A CB 0.089 19.119 19.000 0.049 0.000 1.064 130 A HN 1.014 nan 8.150 nan 0.000 0.499 131 N N 2.520 121.257 118.700 0.062 0.000 2.331 131 N HA -0.121 4.618 4.740 -0.001 0.000 0.180 131 N C 0.450 175.994 175.510 0.057 0.000 1.019 131 N CA 1.022 54.108 53.050 0.060 0.000 0.881 131 N CB -0.822 37.704 38.487 0.065 0.000 0.972 131 N HN 0.733 nan 8.380 nan 0.000 0.435 132 L N 0.032 121.295 121.223 0.067 0.000 3.660 132 L HA -0.270 4.070 4.340 -0.001 0.000 0.440 132 L C 1.199 178.102 176.870 0.056 0.000 1.262 132 L CA 0.403 55.282 54.840 0.065 0.000 0.837 132 L CB -1.974 40.105 42.059 0.033 0.000 1.689 132 L HN 0.472 nan 8.230 nan 0.000 0.890 133 N N 0.938 119.685 118.700 0.078 0.000 2.223 133 N HA -0.198 4.541 4.740 -0.001 0.000 0.185 133 N C 1.507 177.078 175.510 0.102 0.000 1.016 133 N CA 1.537 54.642 53.050 0.092 0.000 0.863 133 N CB 0.066 38.608 38.487 0.093 0.000 0.983 133 N HN 0.669 nan 8.380 nan 0.000 0.429 134 N N 0.615 119.372 118.700 0.095 0.000 2.061 134 N HA -0.120 4.620 4.740 -0.001 0.000 0.193 134 N C -0.392 175.178 175.510 0.100 0.000 1.030 134 N CA 1.066 54.175 53.050 0.097 0.000 0.856 134 N CB 0.113 38.655 38.487 0.092 0.000 1.023 134 N HN 0.110 nan 8.380 nan 0.000 0.424 135 K N 0.898 121.332 120.400 0.057 0.000 2.240 135 K HA 0.061 4.381 4.320 -0.001 0.000 0.271 135 K C 0.493 177.122 176.600 0.047 0.000 1.018 135 K CA -0.549 55.765 56.287 0.045 0.000 0.874 135 K CB 0.855 33.296 32.500 -0.098 0.000 1.098 135 K HN 0.079 nan 8.250 nan 0.000 0.458 136 F N 4.574 124.551 119.950 0.045 0.000 2.065 136 F HA -0.335 4.191 4.527 -0.001 0.000 0.298 136 F C 2.513 178.357 175.800 0.073 0.000 1.112 136 F CA 1.967 60.015 58.000 0.080 0.000 1.212 136 F CB 0.095 39.168 39.000 0.123 0.000 0.975 136 F HN 0.794 nan 8.300 nan 0.000 0.476 137 H N 0.293 119.316 119.070 -0.079 0.000 2.422 137 H HA -0.133 4.423 4.556 -0.001 0.000 0.298 137 H C 1.894 177.131 175.328 -0.152 0.000 1.098 137 H CA 1.735 57.671 56.048 -0.187 0.000 1.315 137 H CB -0.809 28.933 29.762 -0.033 0.000 1.382 137 H HN 0.362 nan 8.280 nan 0.000 0.523 138 R N 0.844 120.965 120.500 -0.632 0.000 2.161 138 R HA -0.013 4.327 4.340 -0.001 0.000 0.213 138 R C 2.729 178.920 176.300 -0.182 0.000 1.055 138 R CA 0.942 56.822 56.100 -0.366 0.000 0.996 138 R CB -0.057 30.028 30.300 -0.359 0.000 0.901 138 R HN 0.505 nan 8.270 nan 0.000 0.456 139 S N 1.345 116.951 115.700 -0.157 0.000 2.442 139 S HA -0.076 4.394 4.470 -0.001 0.000 0.236 139 S C 2.022 176.577 174.600 -0.076 0.000 1.007 139 S CA 0.809 58.974 58.200 -0.058 0.000 0.965 139 S CB -0.419 62.799 63.200 0.030 0.000 0.773 139 S HN 0.235 nan 8.310 nan 0.000 0.504 140 L N 0.883 121.997 121.223 -0.181 0.000 2.275 140 L HA -0.035 4.304 4.340 -0.001 0.000 0.215 140 L C 2.711 179.521 176.870 -0.099 0.000 1.119 140 L CA 1.211 55.965 54.840 -0.144 0.000 0.790 140 L CB -0.616 41.314 42.059 -0.215 0.000 0.919 140 L HN 0.426 nan 8.230 nan 0.000 0.443 141 E N 0.524 120.684 120.200 -0.066 0.000 2.047 141 E HA -0.196 4.154 4.350 -0.001 0.000 0.191 141 E C 2.390 179.037 176.600 0.078 0.000 0.987 141 E CA 1.011 57.428 56.400 0.030 0.000 0.799 141 E CB -0.193 29.501 29.700 -0.009 0.000 0.752 141 E HN 0.475 nan 8.360 nan 0.000 0.449 142 A N 2.013 124.858 122.820 0.042 0.000 1.906 142 A HA -0.244 4.076 4.320 -0.001 0.000 0.222 142 A C -0.220 177.383 177.584 0.031 0.000 1.282 142 A CA 2.321 54.384 52.037 0.044 0.000 0.675 142 A CB -1.882 17.143 19.000 0.042 0.000 0.838 142 A HN 0.183 nan 8.150 nan 0.000 0.469 143 P HA -0.099 nan 4.420 nan 0.000 0.215 143 P C 1.596 178.878 177.300 -0.031 0.000 1.157 143 P CA 1.566 64.676 63.100 0.017 0.000 0.868 143 P CB -0.136 31.597 31.700 0.054 0.000 0.788 144 V N -0.941 118.923 119.914 -0.084 0.000 2.548 144 V HA -0.173 3.947 4.120 -0.001 0.000 0.249 144 V C 2.280 178.231 176.094 -0.239 0.000 1.055 144 V CA 2.234 64.402 62.300 -0.221 0.000 1.065 144 V CB -1.708 29.859 31.823 -0.427 0.000 0.681 144 V HN 0.179 nan 8.190 nan 0.000 0.462 145 T N -0.425 114.089 114.554 -0.067 0.000 2.788 145 T HA -0.225 4.125 4.350 -0.001 0.000 0.268 145 T C 1.865 176.548 174.700 -0.027 0.000 1.044 145 T CA 1.796 63.909 62.100 0.023 0.000 1.139 145 T CB -0.120 68.820 68.868 0.120 0.000 0.867 145 T HN 0.651 nan 8.240 nan 0.000 0.454 146 E N 0.571 120.751 120.200 -0.032 0.000 2.106 146 E HA -0.103 4.246 4.350 -0.001 0.000 0.192 146 E C 2.268 178.831 176.600 -0.060 0.000 0.984 146 E CA 1.105 57.483 56.400 -0.036 0.000 0.806 146 E CB -0.013 29.677 29.700 -0.018 0.000 0.750 146 E HN 0.336 nan 8.360 nan 0.000 0.458 147 S N 0.785 116.431 115.700 -0.090 0.000 2.356 147 S HA -0.125 4.344 4.470 -0.001 0.000 0.223 147 S C 1.964 176.479 174.600 -0.142 0.000 1.032 147 S CA 1.002 59.129 58.200 -0.120 0.000 1.005 147 S CB -0.249 62.853 63.200 -0.163 0.000 0.867 147 S HN 0.273 nan 8.310 nan 0.000 0.449 148 L N 1.058 122.182 121.223 -0.165 0.000 2.046 148 L HA -0.103 4.236 4.340 -0.001 0.000 0.208 148 L C 2.265 179.097 176.870 -0.063 0.000 1.077 148 L CA 1.072 55.826 54.840 -0.144 0.000 0.747 148 L CB -0.592 41.397 42.059 -0.118 0.000 0.896 148 L HN 0.290 nan 8.230 nan 0.000 0.432 149 L N -0.468 120.743 121.223 -0.020 0.000 2.093 149 L HA -0.190 4.149 4.340 -0.001 0.000 0.208 149 L C 2.504 179.417 176.870 0.072 0.000 1.085 149 L CA 1.264 56.145 54.840 0.067 0.000 0.755 149 L CB -0.395 41.656 42.059 -0.014 0.000 0.904 149 L HN 0.227 nan 8.230 nan 0.000 0.435 150 K N -0.165 120.228 120.400 -0.011 0.000 2.288 150 K HA -0.027 4.293 4.320 -0.001 0.000 0.201 150 K C 2.015 178.598 176.600 -0.027 0.000 1.048 150 K CA 0.943 57.223 56.287 -0.012 0.000 0.956 150 K CB 0.031 32.512 32.500 -0.032 0.000 0.746 150 K HN 0.259 nan 8.250 nan 0.000 0.461 151 A N 0.688 123.469 122.820 -0.066 0.000 2.030 151 A HA 0.062 4.382 4.320 -0.001 0.000 0.215 151 A C 1.894 179.405 177.584 -0.121 0.000 1.164 151 A CA 0.539 52.521 52.037 -0.092 0.000 0.697 151 A CB -0.089 18.835 19.000 -0.127 0.000 0.827 151 A HN 0.089 nan 8.150 nan 0.000 0.457 152 I N -2.000 118.471 120.570 -0.165 0.000 2.429 152 I HA -0.013 4.157 4.170 -0.001 0.000 0.247 152 I C 0.155 175.928 176.117 -0.573 0.000 1.099 152 I CA 0.763 61.850 61.300 -0.355 0.000 1.422 152 I CB -0.020 37.717 38.000 -0.438 0.000 1.112 152 I HN 0.211 nan 8.210 nan 0.000 0.430 153 F N 1.203 120.954 119.950 -0.332 0.000 2.508 153 F HA 0.223 4.749 4.527 -0.001 0.000 0.329 153 F C 1.149 176.875 175.800 -0.123 0.000 1.198 153 F CA -0.401 57.232 58.000 -0.611 0.000 1.268 153 F CB -0.587 37.762 39.000 -1.085 0.000 1.584 153 F HN -0.060 nan 8.300 nan 0.000 0.570 154 N N 0.682 119.438 118.700 0.093 0.000 2.409 154 N HA -0.154 4.585 4.740 -0.001 0.000 0.179 154 N C 0.188 175.803 175.510 0.175 0.000 1.032 154 N CA 0.466 53.582 53.050 0.110 0.000 0.898 154 N CB 0.046 38.551 38.487 0.031 0.000 0.971 154 N HN 0.274 nan 8.380 nan 0.000 0.441 155 D N 0.433 121.014 120.400 0.302 0.000 2.359 155 D HA 0.020 4.659 4.640 -0.001 0.000 0.250 155 D C 0.436 176.791 176.300 0.093 0.000 1.264 155 D CA 0.175 54.266 54.000 0.152 0.000 0.911 155 D CB 0.377 41.220 40.800 0.072 0.000 1.056 155 D HN 0.210 nan 8.370 nan 0.000 0.499 156 E N 2.374 122.598 120.200 0.041 0.000 2.401 156 E HA -0.155 4.195 4.350 -0.001 0.000 0.199 156 E C 0.945 177.505 176.600 -0.068 0.000 1.023 156 E CA 0.662 57.062 56.400 -0.001 0.000 0.859 156 E CB 0.244 29.942 29.700 -0.002 0.000 0.780 156 E HN 0.676 nan 8.360 nan 0.000 0.523 157 E N 0.407 120.548 120.200 -0.099 0.000 2.371 157 E HA -0.055 4.294 4.350 -0.001 0.000 0.194 157 E C 1.330 177.804 176.600 -0.209 0.000 1.012 157 E CA 0.580 56.907 56.400 -0.123 0.000 0.860 157 E CB 0.229 29.869 29.700 -0.100 0.000 0.811 157 E HN 0.145 nan 8.360 nan 0.000 0.502 158 K N -0.576 119.606 120.400 -0.363 0.000 2.464 158 K HA 0.194 4.513 4.320 -0.001 0.000 0.206 158 K C -0.141 176.010 176.600 -0.747 0.000 1.186 158 K CA 0.027 55.941 56.287 -0.620 0.000 0.990 158 K CB 0.928 32.888 32.500 -0.900 0.000 1.003 158 K HN -0.088 nan 8.250 nan 0.000 0.562 159 F N 0.436 120.334 119.950 -0.088 0.000 2.540 159 F HA 0.365 4.891 4.527 -0.001 0.000 0.317 159 F C -0.223 175.434 175.800 -0.238 0.000 1.104 159 F CA -1.168 56.742 58.000 -0.150 0.000 0.913 159 F CB 2.313 41.290 39.000 -0.038 0.000 1.170 159 F HN -0.339 nan 8.300 nan 0.000 0.450 160 S N 2.196 117.771 115.700 -0.208 0.000 2.718 160 S HA 0.448 4.918 4.470 -0.001 0.000 0.294 160 S C -0.732 173.543 174.600 -0.541 0.000 1.157 160 S CA -0.623 57.336 58.200 -0.401 0.000 1.121 160 S CB 1.239 64.062 63.200 -0.628 0.000 1.015 160 S HN 0.317 nan 8.310 nan 0.000 0.479 161 V N 5.765 125.442 119.914 -0.395 0.000 2.364 161 V HA 0.327 4.447 4.120 -0.001 0.000 0.272 161 V C -0.119 175.761 176.094 -0.356 0.000 1.036 161 V CA -0.545 61.548 62.300 -0.344 0.000 0.880 161 V CB 0.350 32.069 31.823 -0.173 0.000 0.991 161 V HN 0.743 nan 8.190 nan 0.000 0.460 162 H N 2.212 121.289 119.070 0.011 0.000 2.458 162 H HA 0.427 4.983 4.556 -0.001 0.000 0.330 162 H C 0.262 175.598 175.328 0.014 0.000 1.111 162 H CA -0.551 55.513 56.048 0.027 0.000 1.245 162 H CB 1.690 31.483 29.762 0.051 0.000 1.456 162 H HN 0.562 nan 8.280 nan 0.000 0.488 163 S N 1.057 116.837 115.700 0.133 0.000 2.576 163 S HA 0.249 4.719 4.470 -0.001 0.000 0.272 163 S C 0.756 175.405 174.600 0.081 0.000 1.352 163 S CA -0.500 57.748 58.200 0.080 0.000 1.021 163 S CB 0.638 63.878 63.200 0.066 0.000 0.887 163 S HN 0.779 nan 8.310 nan 0.000 0.542 164 A N 2.054 124.911 122.820 0.061 0.000 2.448 164 A HA 0.354 4.674 4.320 -0.001 0.000 0.239 164 A C 0.358 177.975 177.584 0.055 0.000 1.080 164 A CA -0.309 51.763 52.037 0.059 0.000 0.779 164 A CB -0.182 18.850 19.000 0.054 0.000 1.026 164 A HN 0.763 nan 8.150 nan 0.000 0.499 165 L N 1.052 122.306 121.223 0.052 0.000 2.476 165 L HA 0.200 4.539 4.340 -0.001 0.000 0.264 165 L C -1.837 175.060 176.870 0.044 0.000 1.224 165 L CA -1.539 53.325 54.840 0.041 0.000 0.821 165 L CB -0.101 41.981 42.059 0.038 0.000 1.101 165 L HN 0.455 nan 8.230 nan 0.000 0.488 166 P HA -0.069 nan 4.420 nan 0.000 0.265 166 P C -0.989 176.342 177.300 0.052 0.000 1.187 166 P CA 0.114 63.239 63.100 0.042 0.000 0.766 166 P CB 0.278 31.997 31.700 0.031 0.000 0.820 167 Q N 2.102 121.939 119.800 0.062 0.000 2.664 167 Q HA 0.240 4.579 4.340 -0.001 0.000 0.223 167 Q C -0.287 175.758 176.000 0.074 0.000 1.298 167 Q CA 0.051 55.899 55.803 0.076 0.000 0.965 167 Q CB -0.088 28.706 28.738 0.093 0.000 1.510 167 Q HN 0.261 nan 8.270 nan 0.000 0.567 168 V N -2.882 117.071 119.914 0.064 0.000 2.971 168 V HA 0.644 4.763 4.120 -0.001 0.000 0.309 168 V C 0.873 177.002 176.094 0.058 0.000 1.130 168 V CA -0.611 61.725 62.300 0.059 0.000 0.964 168 V CB 1.454 33.303 31.823 0.043 0.000 1.029 168 V HN 0.363 nan 8.190 nan 0.000 0.427 169 A N 2.072 124.928 122.820 0.060 0.000 1.948 169 A HA -0.149 4.171 4.320 -0.001 0.000 0.220 169 A C 1.765 179.379 177.584 0.050 0.000 1.177 169 A CA 2.389 54.463 52.037 0.062 0.000 0.636 169 A CB -0.668 18.369 19.000 0.061 0.000 0.815 169 A HN 1.342 nan 8.150 nan 0.000 0.449 170 L N -1.119 120.125 121.223 0.036 0.000 2.187 170 L HA 0.000 4.340 4.340 -0.001 0.000 0.213 170 L C 1.165 178.043 176.870 0.013 0.000 1.100 170 L CA 1.590 56.441 54.840 0.018 0.000 0.765 170 L CB -0.143 41.921 42.059 0.008 0.000 0.904 170 L HN 0.375 nan 8.230 nan 0.000 0.437 171 L N -0.226 121.013 121.223 0.027 0.000 3.209 171 L HA 0.381 4.720 4.340 -0.001 0.000 0.279 171 L C 0.728 177.630 176.870 0.053 0.000 1.301 171 L CA -0.437 54.419 54.840 0.027 0.000 1.004 171 L CB -0.011 42.060 42.059 0.021 0.000 1.402 171 L HN 0.141 nan 8.230 nan 0.000 0.577 172 G N 0.001 108.841 108.800 0.067 0.000 2.313 172 G HA2 0.196 4.155 3.960 -0.001 0.000 0.250 172 G HA3 0.196 4.155 3.960 -0.001 0.000 0.250 172 G C -0.921 174.044 174.900 0.109 0.000 1.281 172 G CA 0.177 45.332 45.100 0.091 0.000 0.917 172 G HN 0.231 nan 8.290 nan 0.000 0.501 173 D N 1.004 121.472 120.400 0.113 0.000 2.757 173 D HA 0.299 4.939 4.640 -0.001 0.000 0.249 173 D C 0.487 176.865 176.300 0.130 0.000 1.168 173 D CA -0.624 53.453 54.000 0.128 0.000 0.870 173 D CB 1.506 42.371 40.800 0.109 0.000 1.411 173 D HN 0.232 nan 8.370 nan 0.000 0.525 174 E N 2.256 122.546 120.200 0.149 0.000 2.501 174 E HA 0.300 4.650 4.350 -0.001 0.000 0.201 174 E C 1.111 177.726 176.600 0.024 0.000 1.016 174 E CA 0.110 56.581 56.400 0.118 0.000 0.920 174 E CB 0.586 30.422 29.700 0.226 0.000 1.023 174 E HN 0.785 nan 8.360 nan 0.000 0.474 175 G N 1.732 110.568 108.800 0.059 0.000 2.569 175 G HA2 -0.396 3.564 3.960 -0.001 0.000 0.259 175 G HA3 -0.396 3.564 3.960 -0.001 0.000 0.259 175 G C 1.097 175.993 174.900 -0.006 0.000 1.263 175 G CA 0.552 45.664 45.100 0.020 0.000 0.928 175 G HN 0.337 nan 8.290 nan 0.000 0.572 176 A N -0.757 122.036 122.820 -0.045 0.000 1.997 176 A HA 0.123 4.443 4.320 -0.001 0.000 0.221 176 A C 3.036 180.613 177.584 -0.012 0.000 1.172 176 A CA 3.724 55.743 52.037 -0.029 0.000 0.645 176 A CB -1.072 17.905 19.000 -0.038 0.000 0.813 176 A HN 2.472 nan 8.150 nan 0.000 0.454 177 A N -0.354 122.413 122.820 -0.088 0.000 2.084 177 A HA -0.208 4.112 4.320 -0.001 0.000 0.221 177 A C 1.617 179.163 177.584 -0.063 0.000 1.161 177 A CA 1.752 53.700 52.037 -0.148 0.000 0.653 177 A CB -0.637 18.089 19.000 -0.457 0.000 0.802 177 A HN 0.740 nan 8.150 nan 0.000 0.457 178 N N -1.773 116.931 118.700 0.005 0.000 2.214 178 N HA 0.084 4.823 4.740 -0.001 0.000 0.214 178 N C 0.030 175.584 175.510 0.073 0.000 1.132 178 N CA -0.138 52.960 53.050 0.079 0.000 0.856 178 N CB 0.282 38.866 38.487 0.163 0.000 1.020 178 N HN 0.573 nan 8.380 nan 0.000 0.509 179 H N 0.659 119.662 119.070 -0.112 0.000 2.573 179 H HA 0.439 4.994 4.556 -0.001 0.000 0.351 179 H C -0.937 174.291 175.328 -0.166 0.000 1.163 179 H CA -0.288 55.606 56.048 -0.256 0.000 1.205 179 H CB 1.101 30.653 29.762 -0.350 0.000 1.605 179 H HN 0.075 nan 8.280 nan 0.000 0.525 180 N N 2.078 120.330 118.700 -0.746 0.000 2.494 180 N HA 0.245 4.985 4.740 -0.001 0.000 0.270 180 N C -1.306 173.900 175.510 -0.505 0.000 1.285 180 N CA -0.714 52.097 53.050 -0.398 0.000 0.812 180 N CB 3.119 41.483 38.487 -0.206 0.000 1.557 180 N HN 0.532 nan 8.380 nan 0.000 0.487 181 R N 1.417 121.810 120.500 -0.178 0.000 2.510 181 R HA 0.499 4.839 4.340 -0.001 0.000 0.287 181 R C -1.786 174.531 176.300 0.028 0.000 1.084 181 R CA -0.382 55.670 56.100 -0.080 0.000 0.934 181 R CB 0.982 31.299 30.300 0.028 0.000 1.201 181 R HN 0.510 nan 8.270 nan 0.000 0.431 182 L N 3.410 124.645 121.223 0.020 0.000 2.354 182 L HA 0.917 5.257 4.340 -0.001 0.000 0.269 182 L C 0.387 177.297 176.870 0.068 0.000 1.005 182 L CA -0.518 54.366 54.840 0.074 0.000 0.819 182 L CB 2.426 44.535 42.059 0.083 0.000 1.311 182 L HN 0.927 nan 8.230 nan 0.000 0.423 183 G N 0.312 109.163 108.800 0.085 0.000 2.336 183 G HA2 0.401 4.360 3.960 -0.001 0.000 0.286 183 G HA3 0.401 4.360 3.960 -0.001 0.000 0.286 183 G C -0.376 174.545 174.900 0.035 0.000 1.269 183 G CA -0.117 45.018 45.100 0.058 0.000 0.873 183 G HN 0.822 nan 8.290 nan 0.000 0.494 184 G N -1.277 107.524 108.800 0.003 0.000 3.197 184 G HA2 0.415 4.374 3.960 -0.001 0.000 0.167 184 G HA3 0.415 4.374 3.960 -0.001 0.000 0.167 184 G C 0.189 175.085 174.900 -0.007 0.000 1.914 184 G CA -0.136 44.928 45.100 -0.059 0.000 0.956 184 G HN 0.787 nan 8.290 nan 0.000 0.480 185 H N -0.545 118.505 119.070 -0.033 0.000 2.848 185 H HA 0.095 4.651 4.556 -0.001 0.000 0.341 185 H C 1.060 176.413 175.328 0.041 0.000 1.060 185 H CA -0.294 55.725 56.048 -0.049 0.000 1.444 185 H CB 0.924 30.699 29.762 0.021 0.000 1.446 185 H HN 0.453 nan 8.280 nan 0.000 0.583 186 Y N 1.884 122.323 120.300 0.230 0.000 2.132 186 Y HA -0.289 4.261 4.550 -0.001 0.000 0.280 186 Y C 2.638 178.632 175.900 0.156 0.000 1.193 186 Y CA 0.600 58.806 58.100 0.176 0.000 1.157 186 Y CB -0.149 38.423 38.460 0.187 0.000 0.966 186 Y HN 0.840 nan 8.280 nan 0.000 0.511 187 G N -0.294 108.701 108.800 0.325 0.000 2.559 187 G HA2 -0.081 3.879 3.960 -0.001 0.000 0.216 187 G HA3 -0.081 3.879 3.960 -0.001 0.000 0.216 187 G C 0.215 175.214 174.900 0.164 0.000 1.126 187 G CA 0.121 45.349 45.100 0.212 0.000 0.778 187 G HN 0.359 nan 8.290 nan 0.000 0.543 188 E N 0.558 120.860 120.200 0.169 0.000 2.318 188 E HA 0.278 4.628 4.350 -0.001 0.000 0.265 188 E C -2.486 174.173 176.600 0.099 0.000 1.069 188 E CA -2.156 54.311 56.400 0.112 0.000 0.893 188 E CB 0.668 30.416 29.700 0.080 0.000 1.076 188 E HN -0.053 nan 8.360 nan 0.000 0.414 189 P HA -0.010 nan 4.420 nan 0.000 0.262 189 P C -0.518 176.819 177.300 0.062 0.000 1.182 189 P CA 0.383 63.521 63.100 0.063 0.000 0.761 189 P CB 0.525 32.251 31.700 0.043 0.000 0.795 190 G N 2.237 111.078 108.800 0.070 0.000 2.537 190 G HA2 0.596 4.555 3.960 -0.001 0.000 0.323 190 G HA3 0.596 4.555 3.960 -0.001 0.000 0.323 190 G C -1.199 173.719 174.900 0.029 0.000 1.207 190 G CA -0.585 44.551 45.100 0.061 0.000 0.976 190 G HN 0.329 nan 8.290 nan 0.000 0.487 191 M N 1.006 120.606 119.600 0.001 0.000 2.080 191 M HA 0.318 4.798 4.480 -0.001 0.000 0.350 191 M C 0.067 176.322 176.300 -0.076 0.000 1.173 191 M CA -0.273 55.003 55.300 -0.040 0.000 1.052 191 M CB 1.078 33.635 32.600 -0.072 0.000 1.577 191 M HN 0.445 nan 8.290 nan 0.000 0.455 192 Q N 3.245 123.001 119.800 -0.074 0.000 2.256 192 Q HA 0.515 4.854 4.340 -0.001 0.000 0.254 192 Q C -1.359 174.502 176.000 -0.232 0.000 0.916 192 Q CA -0.710 54.988 55.803 -0.175 0.000 0.932 192 Q CB 1.827 30.579 28.738 0.023 0.000 1.207 192 Q HN 0.593 nan 8.270 nan 0.000 0.426 193 L N 3.548 124.519 121.223 -0.420 0.000 2.316 193 L HA 0.466 4.806 4.340 -0.001 0.000 0.280 193 L C -1.720 174.953 176.870 -0.329 0.000 1.006 193 L CA -0.223 54.440 54.840 -0.295 0.000 0.836 193 L CB 0.601 42.506 42.059 -0.257 0.000 1.221 193 L HN 0.405 nan 8.230 nan 0.000 0.418 194 F N 4.925 124.756 119.950 -0.198 0.000 2.405 194 F HA 0.523 5.050 4.527 -0.001 0.000 0.355 194 F C 0.215 176.116 175.800 0.168 0.000 1.121 194 F CA -0.457 57.570 58.000 0.046 0.000 1.112 194 F CB 1.519 40.601 39.000 0.137 0.000 1.126 194 F HN 0.139 nan 8.300 nan 0.000 0.481 195 V N 5.004 125.095 119.914 0.294 0.000 2.472 195 V HA 0.443 4.562 4.120 -0.001 0.000 0.290 195 V C -0.663 175.603 176.094 0.288 0.000 1.037 195 V CA -0.855 61.576 62.300 0.219 0.000 0.908 195 V CB 1.131 33.066 31.823 0.187 0.000 0.985 195 V HN 0.625 nan 8.190 nan 0.000 0.454 196 Y N 1.209 121.639 120.300 0.217 0.000 2.581 196 Y HA 0.834 5.384 4.550 -0.001 0.000 0.345 196 Y C 0.814 176.788 175.900 0.124 0.000 1.036 196 Y CA -0.650 57.554 58.100 0.174 0.000 1.042 196 Y CB 1.602 40.165 38.460 0.172 0.000 1.289 196 Y HN 0.509 nan 8.280 nan 0.000 0.471 197 G N 0.875 109.846 108.800 0.286 0.000 2.510 197 G HA2 0.234 4.194 3.960 -0.001 0.000 0.212 197 G HA3 0.234 4.194 3.960 -0.001 0.000 0.212 197 G C 0.030 175.072 174.900 0.236 0.000 1.151 197 G CA -0.073 45.130 45.100 0.173 0.000 0.817 197 G HN 0.742 nan 8.290 nan 0.000 0.534 198 R N -0.850 119.841 120.500 0.319 0.000 2.817 198 R HA 0.781 5.121 4.340 -0.001 0.000 0.268 198 R C -1.644 174.749 176.300 0.155 0.000 1.027 198 R CA -0.923 55.316 56.100 0.231 0.000 0.928 198 R CB 1.623 32.000 30.300 0.128 0.000 1.228 198 R HN 0.072 nan 8.270 nan 0.000 0.469 199 E N 0.927 121.166 120.200 0.066 0.000 2.335 199 E HA 0.126 4.475 4.350 -0.001 0.000 0.280 199 E C -1.242 175.339 176.600 -0.032 0.000 0.918 199 E CA -0.587 55.775 56.400 -0.063 0.000 0.765 199 E CB 2.384 32.001 29.700 -0.137 0.000 1.218 199 E HN 0.626 nan 8.360 nan 0.000 0.425 200 E N 1.254 121.420 120.200 -0.056 0.000 2.558 200 E HA 0.125 4.475 4.350 -0.001 0.000 0.255 200 E C 0.582 177.165 176.600 -0.029 0.000 0.968 200 E CA 1.571 57.950 56.400 -0.035 0.000 0.939 200 E CB 0.404 30.076 29.700 -0.046 0.000 0.921 200 E HN 0.838 nan 8.360 nan 0.000 0.477 201 G N 3.551 112.344 108.800 -0.012 0.000 2.143 201 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.249 201 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.249 201 G C 0.004 174.906 174.900 0.003 0.000 0.981 201 G CA 0.076 45.172 45.100 -0.007 0.000 0.665 201 G HN 0.533 nan 8.290 nan 0.000 0.528 202 N N 0.784 119.492 118.700 0.014 0.000 2.479 202 N HA 0.411 5.150 4.740 -0.001 0.000 0.261 202 N C 0.837 176.369 175.510 0.036 0.000 0.979 202 N CA 0.075 53.145 53.050 0.032 0.000 0.930 202 N CB 1.294 39.816 38.487 0.058 0.000 1.172 202 N HN 0.180 nan 8.380 nan 0.000 0.499 203 D N 0.607 121.025 120.400 0.029 0.000 2.371 203 D HA -0.039 4.600 4.640 -0.001 0.000 0.221 203 D C -0.022 176.297 176.300 0.031 0.000 0.986 203 D CA 0.605 54.621 54.000 0.026 0.000 0.899 203 D CB -0.187 40.624 40.800 0.019 0.000 0.902 203 D HN 0.272 nan 8.370 nan 0.000 0.530 204 T N 1.632 116.209 114.554 0.039 0.000 2.743 204 T HA 0.366 4.715 4.350 -0.001 0.000 0.290 204 T C 0.235 174.964 174.700 0.050 0.000 0.908 204 T CA -0.469 61.654 62.100 0.039 0.000 1.092 204 T CB 0.036 68.930 68.868 0.044 0.000 0.882 204 T HN 0.376 nan 8.240 nan 0.000 0.531 205 R N 2.465 122.987 120.500 0.036 0.000 2.728 205 R HA 0.495 4.835 4.340 -0.001 0.000 0.274 205 R C -3.405 172.910 176.300 0.025 0.000 1.032 205 R CA -1.952 54.174 56.100 0.043 0.000 0.866 205 R CB 0.318 30.653 30.300 0.057 0.000 1.263 205 R HN 0.182 nan 8.270 nan 0.000 0.475 206 P HA 0.100 nan 4.420 nan 0.000 0.269 206 P C -0.421 176.886 177.300 0.012 0.000 1.209 206 P CA -0.229 62.877 63.100 0.010 0.000 0.776 206 P CB 1.410 33.126 31.700 0.027 0.000 0.876 207 S N 1.382 117.072 115.700 -0.017 0.000 2.505 207 S HA 0.104 4.573 4.470 -0.001 0.000 0.216 207 S C 1.664 176.250 174.600 -0.022 0.000 1.018 207 S CA -0.131 58.063 58.200 -0.010 0.000 0.911 207 S CB 0.159 63.347 63.200 -0.020 0.000 0.818 207 S HN 0.508 nan 8.310 nan 0.000 0.497 208 R N -0.203 120.238 120.500 -0.098 0.000 2.084 208 R HA 0.252 4.592 4.340 -0.001 0.000 0.209 208 R C -0.295 175.926 176.300 -0.133 0.000 1.173 208 R CA 0.379 56.361 56.100 -0.196 0.000 1.053 208 R CB 0.158 30.165 30.300 -0.488 0.000 0.948 208 R HN 0.320 nan 8.270 nan 0.000 0.460 209 Y N 1.754 121.994 120.300 -0.101 0.000 2.453 209 Y HA 0.416 4.965 4.550 -0.001 0.000 0.326 209 Y C -1.914 173.946 175.900 -0.066 0.000 1.186 209 Y CA -3.136 54.832 58.100 -0.220 0.000 1.200 209 Y CB 1.271 39.554 38.460 -0.295 0.000 1.247 209 Y HN 0.200 nan 8.280 nan 0.000 0.482 210 P HA 0.168 nan 4.420 nan 0.000 0.277 210 P C -1.351 176.003 177.300 0.090 0.000 1.240 210 P CA -0.396 62.778 63.100 0.124 0.000 0.798 210 P CB 1.265 33.048 31.700 0.140 0.000 0.979 211 A N 3.577 126.454 122.820 0.095 0.000 2.341 211 A HA 0.256 4.575 4.320 -0.001 0.000 0.326 211 A C 1.339 178.989 177.584 0.110 0.000 1.402 211 A CA -0.674 51.422 52.037 0.098 0.000 0.957 211 A CB -0.168 18.896 19.000 0.106 0.000 1.151 211 A HN 0.439 nan 8.150 nan 0.000 0.533 212 R N 0.741 121.307 120.500 0.110 0.000 2.189 212 R HA -0.059 4.280 4.340 -0.001 0.000 0.218 212 R C 0.465 176.858 176.300 0.155 0.000 1.074 212 R CA 0.776 56.952 56.100 0.127 0.000 0.991 212 R CB 0.069 30.450 30.300 0.135 0.000 0.883 212 R HN 0.717 nan 8.270 nan 0.000 0.457 213 Q N 1.533 121.441 119.800 0.180 0.000 2.290 213 Q HA 0.123 4.463 4.340 -0.001 0.000 0.259 213 Q C -0.916 175.211 176.000 0.211 0.000 0.941 213 Q CA -0.340 55.588 55.803 0.208 0.000 0.912 213 Q CB 1.619 30.511 28.738 0.257 0.000 1.244 213 Q HN 0.109 nan 8.270 nan 0.000 0.441 214 T N 0.194 114.839 114.554 0.151 0.000 2.918 214 T HA 0.407 4.757 4.350 -0.001 0.000 0.286 214 T C 0.724 175.399 174.700 -0.043 0.000 1.026 214 T CA -0.839 61.303 62.100 0.070 0.000 1.031 214 T CB 1.547 70.423 68.868 0.013 0.000 1.046 214 T HN 0.788 nan 8.240 nan 0.000 0.479 215 R N 0.493 120.778 120.500 -0.359 0.000 2.096 215 R HA -0.126 4.214 4.340 -0.001 0.000 0.235 215 R C 1.669 177.726 176.300 -0.406 0.000 1.127 215 R CA 1.700 57.382 56.100 -0.697 0.000 0.968 215 R CB -0.286 29.240 30.300 -1.289 0.000 0.861 215 R HN 0.770 nan 8.270 nan 0.000 0.440 216 E N 0.415 120.446 120.200 -0.282 0.000 2.085 216 E HA -0.187 4.162 4.350 -0.001 0.000 0.194 216 E C 1.809 178.324 176.600 -0.141 0.000 0.994 216 E CA 1.731 58.008 56.400 -0.205 0.000 0.801 216 E CB -0.313 29.308 29.700 -0.131 0.000 0.743 216 E HN 0.487 nan 8.360 nan 0.000 0.453 217 A N 0.294 123.073 122.820 -0.069 0.000 1.873 217 A HA -0.173 4.147 4.320 -0.001 0.000 0.215 217 A C 2.367 179.959 177.584 0.013 0.000 1.186 217 A CA 1.800 53.835 52.037 -0.004 0.000 0.616 217 A CB -0.710 18.323 19.000 0.055 0.000 0.823 217 A HN 0.213 nan 8.150 nan 0.000 0.442 218 S N 0.057 115.786 115.700 0.048 0.000 2.359 218 S HA -0.209 4.261 4.470 -0.001 0.000 0.224 218 S C 1.820 176.364 174.600 -0.093 0.000 1.035 218 S CA 1.717 59.994 58.200 0.128 0.000 1.018 218 S CB -0.400 63.020 63.200 0.366 0.000 0.876 218 S HN 0.715 nan 8.310 nan 0.000 0.448 219 E N 1.259 121.325 120.200 -0.222 0.000 2.110 219 E HA -0.084 4.266 4.350 -0.001 0.000 0.193 219 E C 2.356 178.856 176.600 -0.167 0.000 0.988 219 E CA 0.961 57.181 56.400 -0.301 0.000 0.804 219 E CB -0.258 29.134 29.700 -0.514 0.000 0.745 219 E HN 0.530 nan 8.360 nan 0.000 0.458 220 A N 1.079 123.820 122.820 -0.132 0.000 1.898 220 A HA -0.119 4.201 4.320 -0.001 0.000 0.216 220 A C 2.515 180.056 177.584 -0.071 0.000 1.181 220 A CA 1.018 53.001 52.037 -0.090 0.000 0.620 220 A CB -0.594 18.369 19.000 -0.062 0.000 0.819 220 A HN 0.110 nan 8.150 nan 0.000 0.442 221 V N -0.022 119.870 119.914 -0.037 0.000 2.407 221 V HA -0.243 3.877 4.120 -0.001 0.000 0.248 221 V C 3.039 179.129 176.094 -0.007 0.000 1.055 221 V CA 1.806 64.120 62.300 0.023 0.000 1.049 221 V CB -1.219 30.702 31.823 0.163 0.000 0.662 221 V HN 0.611 nan 8.190 nan 0.000 0.455 222 A N -0.026 122.708 122.820 -0.142 0.000 1.908 222 A HA -0.243 4.076 4.320 -0.001 0.000 0.218 222 A C 2.404 179.944 177.584 -0.073 0.000 1.181 222 A CA 1.924 53.877 52.037 -0.139 0.000 0.627 222 A CB -0.459 18.377 19.000 -0.274 0.000 0.818 222 A HN 0.519 nan 8.150 nan 0.000 0.445 223 R N -0.771 119.674 120.500 -0.092 0.000 2.062 223 R HA 0.035 4.374 4.340 -0.001 0.000 0.229 223 R C 2.136 178.339 176.300 -0.161 0.000 1.128 223 R CA 1.289 57.327 56.100 -0.104 0.000 0.960 223 R CB -0.535 29.707 30.300 -0.096 0.000 0.855 223 R HN 0.495 nan 8.270 nan 0.000 0.432 224 L N 1.026 122.140 121.223 -0.183 0.000 2.042 224 L HA -0.208 4.131 4.340 -0.001 0.000 0.210 224 L C 1.480 178.095 176.870 -0.425 0.000 1.076 224 L CA 1.142 55.774 54.840 -0.347 0.000 0.749 224 L CB -0.430 41.458 42.059 -0.284 0.000 0.893 224 L HN 0.187 nan 8.230 nan 0.000 0.432 225 N N 0.283 118.867 118.700 -0.193 0.000 2.521 225 N HA -0.066 4.673 4.740 -0.001 0.000 0.188 225 N C -0.113 175.109 175.510 -0.480 0.000 1.146 225 N CA 0.194 53.135 53.050 -0.182 0.000 0.893 225 N CB -0.012 38.503 38.487 0.045 0.000 0.975 225 N HN 0.270 nan 8.380 nan 0.000 0.451 226 Q N -0.768 118.813 119.800 -0.366 0.000 2.439 226 Q HA -0.157 4.182 4.340 -0.001 0.000 0.325 226 Q C -0.902 175.009 176.000 -0.148 0.000 1.372 226 Q CA 0.179 55.819 55.803 -0.271 0.000 0.909 226 Q CB -1.906 26.620 28.738 -0.354 0.000 1.167 226 Q HN 0.062 nan 8.270 nan 0.000 0.418 227 V N 1.546 121.420 119.914 -0.065 0.000 2.530 227 V HA 0.094 4.213 4.120 -0.001 0.000 0.282 227 V C 0.860 176.959 176.094 0.008 0.000 1.048 227 V CA -0.614 61.693 62.300 0.010 0.000 0.997 227 V CB 1.177 33.054 31.823 0.089 0.000 0.987 227 V HN 0.347 nan 8.190 nan 0.000 0.477 228 N N 6.851 125.562 118.700 0.018 0.000 2.414 228 N HA 0.032 4.771 4.740 -0.001 0.000 0.268 228 N C -1.660 173.859 175.510 0.015 0.000 1.286 228 N CA -1.035 52.024 53.050 0.014 0.000 0.896 228 N CB 0.786 39.284 38.487 0.019 0.000 1.093 228 N HN 0.409 nan 8.380 nan 0.000 0.480 229 P HA -0.192 nan 4.420 nan 0.000 0.218 229 P C 0.749 178.058 177.300 0.015 0.000 1.147 229 P CA 1.454 64.564 63.100 0.018 0.000 0.827 229 P CB 0.267 31.975 31.700 0.014 0.000 0.778 230 Q N -1.404 118.401 119.800 0.009 0.000 2.451 230 Q HA -0.003 4.336 4.340 -0.001 0.000 0.206 230 Q C 1.088 177.085 176.000 -0.005 0.000 0.947 230 Q CA 0.594 56.398 55.803 0.002 0.000 0.937 230 Q CB 0.007 28.746 28.738 0.002 0.000 1.025 230 Q HN 0.491 nan 8.270 nan 0.000 0.511 231 Q N 0.141 119.942 119.800 0.001 0.000 2.175 231 Q HA 0.223 4.562 4.340 -0.001 0.000 0.225 231 Q C -0.834 175.160 176.000 -0.010 0.000 0.837 231 Q CA -0.139 55.663 55.803 -0.003 0.000 1.032 231 Q CB 1.382 30.131 28.738 0.018 0.000 1.137 231 Q HN -0.012 nan 8.270 nan 0.000 0.483 232 V N 1.408 121.301 119.914 -0.035 0.000 2.540 232 V HA 0.534 4.653 4.120 -0.001 0.000 0.302 232 V C -0.412 175.562 176.094 -0.199 0.000 1.035 232 V CA -0.632 61.605 62.300 -0.105 0.000 0.873 232 V CB 2.130 33.866 31.823 -0.145 0.000 0.992 232 V HN 0.206 nan 8.190 nan 0.000 0.428 233 I N 4.034 124.433 120.570 -0.285 0.000 2.647 233 I HA 0.550 4.719 4.170 -0.001 0.000 0.295 233 I C -1.379 174.537 176.117 -0.336 0.000 1.078 233 I CA -0.389 60.775 61.300 -0.228 0.000 1.048 233 I CB 2.406 40.318 38.000 -0.147 0.000 1.239 233 I HN 0.433 nan 8.210 nan 0.000 0.421 234 F N 4.073 124.094 119.950 0.118 0.000 2.482 234 F HA 0.772 5.298 4.527 -0.001 0.000 0.331 234 F C 0.260 176.162 175.800 0.170 0.000 1.115 234 F CA -0.582 57.552 58.000 0.223 0.000 0.955 234 F CB 2.002 41.145 39.000 0.239 0.000 1.136 234 F HN 0.404 nan 8.300 nan 0.000 0.452 235 A N 3.071 126.038 122.820 0.244 0.000 2.449 235 A HA 0.605 4.924 4.320 -0.001 0.000 0.302 235 A C -1.220 176.131 177.584 -0.388 0.000 1.048 235 A CA -0.774 51.245 52.037 -0.029 0.000 0.708 235 A CB 1.711 20.613 19.000 -0.163 0.000 1.274 235 A HN 0.732 nan 8.150 nan 0.000 0.410 236 Q N 1.206 120.711 119.800 -0.493 0.000 2.261 236 Q HA 0.428 4.767 4.340 -0.001 0.000 0.252 236 Q C -0.192 175.679 176.000 -0.214 0.000 0.915 236 Q CA -0.429 54.936 55.803 -0.730 0.000 0.915 236 Q CB 0.859 29.348 28.738 -0.415 0.000 1.204 236 Q HN 0.731 nan 8.270 nan 0.000 0.421 237 Q N 2.357 122.040 119.800 -0.196 0.000 2.352 237 Q HA 0.071 4.411 4.340 -0.001 0.000 0.260 237 Q C -0.730 175.207 176.000 -0.106 0.000 0.976 237 Q CA -0.127 55.608 55.803 -0.114 0.000 0.881 237 Q CB 0.684 29.347 28.738 -0.125 0.000 1.235 237 Q HN 0.636 nan 8.270 nan 0.000 0.419 238 N N 5.275 123.895 118.700 -0.132 0.000 2.434 238 N HA 0.014 4.754 4.740 -0.001 0.000 0.268 238 N C -1.926 173.525 175.510 -0.099 0.000 1.256 238 N CA -1.188 51.800 53.050 -0.103 0.000 0.914 238 N CB 0.828 39.235 38.487 -0.132 0.000 1.088 238 N HN 0.424 nan 8.380 nan 0.000 0.478 239 P HA -0.139 nan 4.420 nan 0.000 0.219 239 P C 0.085 177.350 177.300 -0.059 0.000 1.146 239 P CA 1.140 64.214 63.100 -0.043 0.000 0.808 239 P CB 0.360 32.048 31.700 -0.019 0.000 0.779 240 D N -0.153 120.203 120.400 -0.073 0.000 2.178 240 D HA -0.078 4.562 4.640 -0.001 0.000 0.202 240 D C 2.105 178.342 176.300 -0.105 0.000 0.974 240 D CA 0.782 54.732 54.000 -0.084 0.000 0.841 240 D CB -0.573 40.178 40.800 -0.082 0.000 0.953 240 D HN 0.064 nan 8.370 nan 0.000 0.478 241 V N 1.223 121.056 119.914 -0.136 0.000 2.548 241 V HA -0.150 3.969 4.120 -0.001 0.000 0.249 241 V C 2.423 178.449 176.094 -0.114 0.000 1.055 241 V CA 0.837 63.032 62.300 -0.176 0.000 1.065 241 V CB -0.145 31.518 31.823 -0.266 0.000 0.681 241 V HN 0.166 nan 8.190 nan 0.000 0.462 242 I N -0.243 120.282 120.570 -0.075 0.000 2.353 242 I HA -0.163 4.006 4.170 -0.001 0.000 0.248 242 I C 1.872 178.048 176.117 0.098 0.000 1.119 242 I CA 1.241 62.539 61.300 -0.004 0.000 1.417 242 I CB -0.397 37.606 38.000 0.004 0.000 1.078 242 I HN 0.288 nan 8.210 nan 0.000 0.421 243 D N 0.753 121.155 120.400 0.003 0.000 2.392 243 D HA -0.122 4.518 4.640 -0.001 0.000 0.228 243 D C 1.520 177.764 176.300 -0.093 0.000 1.003 243 D CA 0.882 54.816 54.000 -0.110 0.000 0.917 243 D CB 0.043 40.743 40.800 -0.167 0.000 0.890 243 D HN 0.524 nan 8.370 nan 0.000 0.532 244 Q N -1.218 118.621 119.800 0.065 0.000 2.194 244 Q HA 0.309 4.648 4.340 -0.001 0.000 0.214 244 Q C 0.923 177.035 176.000 0.188 0.000 0.838 244 Q CA 0.118 55.977 55.803 0.094 0.000 0.972 244 Q CB 1.683 30.411 28.738 -0.016 0.000 1.131 244 Q HN 0.223 nan 8.270 nan 0.000 0.498 245 G N 0.323 109.269 108.800 0.244 0.000 2.205 245 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.180 245 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.180 245 G C 0.151 175.095 174.900 0.073 0.000 1.004 245 G CA -0.384 44.775 45.100 0.098 0.000 0.670 245 G HN 0.160 nan 8.290 nan 0.000 0.496 246 V N 3.551 123.442 119.914 -0.038 0.000 2.229 246 V HA 0.325 4.445 4.120 -0.001 0.000 0.245 246 V C 1.492 177.477 176.094 -0.182 0.000 1.243 246 V CA 0.548 62.722 62.300 -0.209 0.000 1.176 246 V CB -1.311 30.364 31.823 -0.247 0.000 1.323 246 V HN 0.496 nan 8.190 nan 0.000 0.499 247 F N 0.731 120.535 119.950 -0.243 0.000 2.748 247 F HA 0.307 4.834 4.527 -0.001 0.000 0.299 247 F C 0.842 176.396 175.800 -0.409 0.000 1.154 247 F CA -0.140 57.656 58.000 -0.339 0.000 1.446 247 F CB -0.469 38.256 39.000 -0.458 0.000 1.112 247 F HN 0.407 nan 8.300 nan 0.000 0.584 248 H N -0.675 118.123 119.070 -0.453 0.000 3.012 248 H HA 0.184 4.740 4.556 -0.001 0.000 0.367 248 H C 0.570 175.707 175.328 -0.318 0.000 1.211 248 H CA -0.728 55.139 56.048 -0.301 0.000 1.139 248 H CB 1.192 30.743 29.762 -0.351 0.000 1.838 248 H HN -0.119 nan 8.280 nan 0.000 0.550 249 N N 1.197 119.866 118.700 -0.051 0.000 2.205 249 N HA -0.164 4.576 4.740 -0.001 0.000 0.186 249 N C 0.581 175.990 175.510 -0.168 0.000 1.015 249 N CA 1.529 54.503 53.050 -0.126 0.000 0.862 249 N CB 0.089 38.563 38.487 -0.022 0.000 0.986 249 N HN 0.707 nan 8.380 nan 0.000 0.429 250 D N 0.171 120.489 120.400 -0.137 0.000 2.348 250 D HA -0.042 4.598 4.640 -0.001 0.000 0.248 250 D C 1.223 177.383 176.300 -0.232 0.000 1.142 250 D CA 0.179 54.101 54.000 -0.130 0.000 0.904 250 D CB -0.016 40.733 40.800 -0.084 0.000 0.901 250 D HN 0.114 nan 8.370 nan 0.000 0.523 251 V N -0.300 119.402 119.914 -0.352 0.000 3.605 251 V HA 0.263 4.383 4.120 -0.001 0.000 0.284 251 V C 1.559 177.465 176.094 -0.313 0.000 1.386 251 V CA 0.099 62.100 62.300 -0.498 0.000 1.053 251 V CB 0.274 31.672 31.823 -0.707 0.000 0.857 251 V HN 0.251 nan 8.190 nan 0.000 0.436 252 I N -0.467 119.899 120.570 -0.340 0.000 4.541 252 I HA 0.653 4.823 4.170 -0.001 0.000 0.337 252 I C 0.191 175.817 176.117 -0.818 0.000 1.338 252 I CA 0.345 61.293 61.300 -0.587 0.000 1.244 252 I CB 0.933 38.571 38.000 -0.604 0.000 1.417 252 I HN 0.200 nan 8.210 nan 0.000 0.501 253 A N 0.291 122.892 122.820 -0.364 0.000 2.594 253 A HA 0.714 5.033 4.320 -0.001 0.000 0.296 253 A C -1.938 175.683 177.584 0.063 0.000 1.061 253 A CA -0.406 51.524 52.037 -0.178 0.000 0.689 253 A CB 1.932 20.849 19.000 -0.138 0.000 1.280 253 A HN -0.030 nan 8.150 nan 0.000 0.406 254 V N 1.555 121.583 119.914 0.190 0.000 2.891 254 V HA 0.782 4.902 4.120 -0.001 0.000 0.304 254 V C -0.452 175.778 176.094 0.227 0.000 1.171 254 V CA 0.393 62.815 62.300 0.203 0.000 0.943 254 V CB 2.245 34.215 31.823 0.246 0.000 1.037 254 V HN 2.008 nan 8.190 nan 0.000 0.427 255 S N 4.500 120.298 115.700 0.163 0.000 2.648 255 S HA 0.865 5.334 4.470 -0.001 0.000 0.305 255 S C -0.750 173.939 174.600 0.149 0.000 1.094 255 S CA -0.695 57.601 58.200 0.159 0.000 0.983 255 S CB 1.939 65.213 63.200 0.124 0.000 1.101 255 S HN 1.278 nan 8.310 nan 0.000 0.514 256 N N 0.085 118.877 118.700 0.153 0.000 2.718 256 N HA 0.305 5.045 4.740 -0.001 0.000 0.260 256 N C -0.076 175.515 175.510 0.134 0.000 1.089 256 N CA -0.314 52.843 53.050 0.179 0.000 1.021 256 N CB 0.736 39.318 38.487 0.159 0.000 1.618 256 N HN 0.741 nan 8.380 nan 0.000 0.554 257 R N 0.620 121.205 120.500 0.142 0.000 3.934 257 R HA -0.245 4.095 4.340 -0.001 0.000 0.384 257 R C 0.814 177.159 176.300 0.075 0.000 0.241 257 R CA 1.824 57.943 56.100 0.032 0.000 1.241 257 R CB -1.567 28.690 30.300 -0.071 0.000 0.999 257 R HN 0.864 nan 8.270 nan 0.000 0.562 258 Q N 2.190 122.020 119.800 0.050 0.000 2.360 258 Q HA 0.170 4.510 4.340 -0.001 0.000 0.202 258 Q C 0.264 176.293 176.000 0.049 0.000 0.915 258 Q CA 0.539 56.395 55.803 0.088 0.000 0.943 258 Q CB 0.512 29.276 28.738 0.044 0.000 1.064 258 Q HN 0.300 nan 8.270 nan 0.000 0.511 259 V N 2.197 122.125 119.914 0.023 0.000 2.472 259 V HA 0.401 4.520 4.120 -0.001 0.000 0.290 259 V C -0.356 175.781 176.094 0.071 0.000 1.037 259 V CA -0.794 61.483 62.300 -0.037 0.000 0.908 259 V CB 1.807 33.612 31.823 -0.029 0.000 0.985 259 V HN 0.360 nan 8.190 nan 0.000 0.454 260 L N 5.373 126.622 121.223 0.043 0.000 2.342 260 L HA 0.562 4.901 4.340 -0.001 0.000 0.276 260 L C -1.498 175.527 176.870 0.258 0.000 0.997 260 L CA -0.513 54.450 54.840 0.206 0.000 0.838 260 L CB 1.157 43.419 42.059 0.339 0.000 1.224 260 L HN 0.641 nan 8.230 nan 0.000 0.416 261 F N 6.867 126.902 119.950 0.142 0.000 2.385 261 F HA 0.614 5.140 4.527 -0.001 0.000 0.360 261 F C -0.099 175.878 175.800 0.296 0.000 1.122 261 F CA -1.056 57.072 58.000 0.214 0.000 1.090 261 F CB 0.596 39.721 39.000 0.208 0.000 1.150 261 F HN 0.639 nan 8.300 nan 0.000 0.472 262 C N 4.690 123.968 119.300 -0.037 0.000 3.318 262 C HA 0.512 4.972 4.460 -0.001 0.000 0.322 262 C C -0.751 173.871 174.990 -0.612 0.000 1.398 262 C CA -0.866 57.878 59.018 -0.456 0.000 1.339 262 C CB 1.534 29.186 27.740 -0.146 0.000 1.668 262 C HN 0.896 nan 8.230 nan 0.000 0.462 263 H N 1.124 119.538 119.070 -1.093 0.000 2.505 263 H HA 0.253 4.809 4.556 -0.001 0.000 0.351 263 H C 1.190 176.309 175.328 -0.348 0.000 1.151 263 H CA 1.068 56.717 56.048 -0.664 0.000 1.339 263 H CB 1.734 31.055 29.762 -0.735 0.000 1.483 263 H HN 0.938 nan 8.280 nan 0.000 0.558 264 Q N 1.995 121.709 119.800 -0.144 0.000 2.226 264 Q HA -0.130 4.210 4.340 -0.001 0.000 0.204 264 Q C 0.648 176.713 176.000 0.108 0.000 0.975 264 Q CA 1.348 57.155 55.803 0.007 0.000 0.866 264 Q CB 0.061 28.765 28.738 -0.057 0.000 0.915 264 Q HN 0.643 nan 8.270 nan 0.000 0.440 265 Q N -0.256 119.697 119.800 0.254 0.000 2.222 265 Q HA 0.268 4.607 4.340 -0.001 0.000 0.206 265 Q C 1.444 177.299 176.000 -0.241 0.000 0.877 265 Q CA 0.181 55.950 55.803 -0.056 0.000 0.958 265 Q CB 0.524 29.151 28.738 -0.184 0.000 1.075 265 Q HN 0.512 nan 8.270 nan 0.000 0.483 266 A N 0.698 123.324 122.820 -0.324 0.000 1.851 266 A HA -0.105 4.215 4.320 -0.001 0.000 0.216 266 A C 0.498 177.593 177.584 -0.815 0.000 1.195 266 A CA 1.320 52.916 52.037 -0.736 0.000 0.622 266 A CB -0.086 18.275 19.000 -1.065 0.000 0.831 266 A HN 0.284 nan 8.150 nan 0.000 0.444 267 F N -2.302 117.576 119.950 -0.121 0.000 2.594 267 F HA 0.688 5.215 4.527 -0.001 0.000 0.335 267 F C 0.500 176.247 175.800 -0.088 0.000 1.058 267 F CA -0.961 56.971 58.000 -0.113 0.000 0.981 267 F CB 1.189 40.127 39.000 -0.104 0.000 1.289 267 F HN 0.174 nan 8.300 nan 0.000 0.490 268 A N 0.391 123.284 122.820 0.122 0.000 2.331 268 A HA 0.607 4.926 4.320 -0.001 0.000 0.283 268 A C 0.274 177.894 177.584 0.059 0.000 1.142 268 A CA -0.690 51.377 52.037 0.050 0.000 0.812 268 A CB -0.069 18.940 19.000 0.016 0.000 1.074 268 A HN 0.891 nan 8.150 nan 0.000 0.497 269 R N 1.073 121.598 120.500 0.041 0.000 3.264 269 R HA -0.224 4.115 4.340 -0.001 0.000 0.251 269 R C 0.892 177.210 176.300 0.030 0.000 0.971 269 R CA 0.923 57.040 56.100 0.028 0.000 0.658 269 R CB -1.817 28.493 30.300 0.017 0.000 1.095 269 R HN 0.976 nan 8.270 nan 0.000 0.443 270 Q N 1.001 120.840 119.800 0.066 0.000 2.020 270 Q HA -0.203 4.136 4.340 -0.001 0.000 0.202 270 Q C 2.106 178.125 176.000 0.031 0.000 0.982 270 Q CA 2.299 58.154 55.803 0.087 0.000 0.838 270 Q CB 0.030 28.858 28.738 0.150 0.000 0.899 270 Q HN 0.657 nan 8.270 nan 0.000 0.423 271 S N -0.274 115.446 115.700 0.033 0.000 2.400 271 S HA -0.293 4.177 4.470 -0.001 0.000 0.232 271 S C 1.913 176.512 174.600 -0.001 0.000 1.025 271 S CA 1.532 59.746 58.200 0.024 0.000 0.993 271 S CB -0.426 62.788 63.200 0.024 0.000 0.808 271 S HN 0.505 nan 8.310 nan 0.000 0.478 272 Q N 0.195 119.988 119.800 -0.012 0.000 2.046 272 Q HA -0.090 4.249 4.340 -0.001 0.000 0.200 272 Q C 2.248 178.208 176.000 -0.066 0.000 0.975 272 Q CA 1.531 57.317 55.803 -0.029 0.000 0.836 272 Q CB -0.260 28.466 28.738 -0.020 0.000 0.896 272 Q HN 0.593 nan 8.270 nan 0.000 0.428 273 L N 0.696 121.862 121.223 -0.096 0.000 2.017 273 L HA -0.167 4.172 4.340 -0.001 0.000 0.208 273 L C 2.049 178.801 176.870 -0.197 0.000 1.073 273 L CA 1.632 56.364 54.840 -0.179 0.000 0.745 273 L CB -0.604 41.279 42.059 -0.292 0.000 0.894 273 L HN 0.282 nan 8.230 nan 0.000 0.432 274 L N -0.440 120.716 121.223 -0.112 0.000 2.046 274 L HA -0.192 4.147 4.340 -0.001 0.000 0.208 274 L C 2.677 179.502 176.870 -0.076 0.000 1.077 274 L CA 1.252 56.069 54.840 -0.037 0.000 0.747 274 L CB -1.008 41.119 42.059 0.113 0.000 0.896 274 L HN 0.423 nan 8.230 nan 0.000 0.432 275 A N 0.058 122.847 122.820 -0.051 0.000 1.930 275 A HA -0.226 4.093 4.320 -0.001 0.000 0.217 275 A C 2.091 179.611 177.584 -0.106 0.000 1.175 275 A CA 1.858 53.869 52.037 -0.044 0.000 0.627 275 A CB -0.602 18.385 19.000 -0.022 0.000 0.815 275 A HN 0.454 nan 8.150 nan 0.000 0.443 276 N N 0.405 119.020 118.700 -0.142 0.000 2.084 276 N HA -0.087 4.652 4.740 -0.001 0.000 0.190 276 N C 1.568 176.928 175.510 -0.250 0.000 1.030 276 N CA 1.671 54.626 53.050 -0.159 0.000 0.849 276 N CB -0.430 37.970 38.487 -0.146 0.000 1.012 276 N HN 0.485 nan 8.380 nan 0.000 0.423 277 L N 0.011 120.980 121.223 -0.423 0.000 2.056 277 L HA -0.026 4.313 4.340 -0.001 0.000 0.207 277 L C 2.637 179.089 176.870 -0.696 0.000 1.078 277 L CA 0.822 55.243 54.840 -0.698 0.000 0.749 277 L CB -0.373 40.934 42.059 -1.253 0.000 0.901 277 L HN 0.164 nan 8.230 nan 0.000 0.433 278 R N 0.444 120.612 120.500 -0.553 0.000 2.105 278 R HA -0.167 4.172 4.340 -0.001 0.000 0.239 278 R C 2.102 178.370 176.300 -0.054 0.000 1.135 278 R CA 1.527 57.574 56.100 -0.088 0.000 0.967 278 R CB -0.202 30.157 30.300 0.099 0.000 0.861 278 R HN 0.354 nan 8.270 nan 0.000 0.442 279 A N -0.296 122.465 122.820 -0.099 0.000 2.208 279 A HA 0.048 4.367 4.320 -0.001 0.000 0.209 279 A C 1.600 179.143 177.584 -0.067 0.000 1.161 279 A CA 0.506 52.507 52.037 -0.060 0.000 0.782 279 A CB 0.024 18.991 19.000 -0.055 0.000 0.816 279 A HN 0.292 nan 8.150 nan 0.000 0.477 280 R N -1.493 118.943 120.500 -0.107 0.000 2.369 280 R HA 0.225 4.565 4.340 -0.001 0.000 0.210 280 R C -0.702 175.559 176.300 -0.064 0.000 0.881 280 R CA 0.247 56.295 56.100 -0.086 0.000 1.031 280 R CB 0.838 31.073 30.300 -0.109 0.000 1.184 280 R HN 0.235 nan 8.270 nan 0.000 0.581 281 V N 3.035 122.909 119.914 -0.067 0.000 2.334 281 V HA 0.192 4.311 4.120 -0.001 0.000 0.281 281 V C -0.367 175.768 176.094 0.068 0.000 1.016 281 V CA -1.177 61.126 62.300 0.006 0.000 0.832 281 V CB 1.353 33.197 31.823 0.035 0.000 0.999 281 V HN 0.177 nan 8.190 nan 0.000 0.439 282 N N 3.488 122.212 118.700 0.039 0.000 2.357 282 N HA 0.074 4.813 4.740 -0.001 0.000 0.257 282 N C 1.376 176.923 175.510 0.060 0.000 1.250 282 N CA 1.423 54.495 53.050 0.037 0.000 0.862 282 N CB 1.069 39.558 38.487 0.002 0.000 1.066 282 N HN 1.168 nan 8.380 nan 0.000 0.468 283 G N 2.173 111.010 108.800 0.062 0.000 2.168 283 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.257 283 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.257 283 G C 0.177 175.121 174.900 0.073 0.000 0.997 283 G CA 0.077 45.206 45.100 0.048 0.000 0.708 283 G HN 0.647 nan 8.290 nan 0.000 0.520 284 F N 0.605 120.549 119.950 -0.011 0.000 2.623 284 F HA 0.452 4.979 4.527 -0.001 0.000 0.383 284 F C 0.660 176.463 175.800 0.005 0.000 1.077 284 F CA 0.454 58.452 58.000 -0.004 0.000 1.268 284 F CB 0.365 39.359 39.000 -0.010 0.000 1.053 284 F HN 0.196 nan 8.300 nan 0.000 0.571 285 M N 7.341 126.393 119.600 -0.914 0.000 2.197 285 M HA 0.617 5.097 4.480 -0.001 0.000 0.301 285 M C -1.594 174.160 176.300 -0.910 0.000 0.987 285 M CA -0.568 54.310 55.300 -0.703 0.000 0.921 285 M CB 1.456 33.873 32.600 -0.305 0.000 1.569 285 M HN 0.709 nan 8.290 nan 0.000 0.431 286 A N 6.545 128.974 122.820 -0.651 0.000 2.249 286 A HA 0.645 4.965 4.320 -0.001 0.000 0.314 286 A C -0.745 176.809 177.584 -0.050 0.000 1.290 286 A CA -0.606 51.259 52.037 -0.286 0.000 0.893 286 A CB 0.099 19.092 19.000 -0.012 0.000 1.165 286 A HN 0.920 nan 8.150 nan 0.000 0.530 287 I N 3.234 123.850 120.570 0.077 0.000 2.313 287 I HA 0.158 4.327 4.170 -0.001 0.000 0.286 287 I C -0.149 176.121 176.117 0.255 0.000 1.091 287 I CA 0.058 61.482 61.300 0.206 0.000 1.216 287 I CB 0.622 38.820 38.000 0.330 0.000 1.434 287 I HN 0.672 nan 8.210 nan 0.000 0.487 288 E N 5.175 125.454 120.200 0.133 0.000 2.200 288 E HA 0.332 4.682 4.350 -0.001 0.000 0.283 288 E C -0.756 175.835 176.600 -0.016 0.000 1.015 288 E CA -0.635 55.789 56.400 0.040 0.000 0.819 288 E CB 2.336 32.042 29.700 0.011 0.000 1.081 288 E HN 0.252 nan 8.360 nan 0.000 0.397 289 V N 6.166 125.993 119.914 -0.145 0.000 2.385 289 V HA 0.199 4.319 4.120 -0.001 0.000 0.269 289 V C -1.760 174.012 176.094 -0.537 0.000 1.043 289 V CA -1.733 60.367 62.300 -0.334 0.000 0.906 289 V CB 0.544 32.161 31.823 -0.344 0.000 0.995 289 V HN 0.598 nan 8.190 nan 0.000 0.467 290 P HA 0.180 nan 4.420 nan 0.000 0.274 290 P C 0.540 177.667 177.300 -0.289 0.000 1.237 290 P CA -0.203 62.727 63.100 -0.284 0.000 0.793 290 P CB 1.510 33.130 31.700 -0.132 0.000 0.977 291 A N 2.615 125.362 122.820 -0.122 0.000 1.933 291 A HA -0.136 4.183 4.320 -0.001 0.000 0.218 291 A C 2.127 179.711 177.584 0.001 0.000 1.175 291 A CA 2.227 54.284 52.037 0.035 0.000 0.628 291 A CB -2.017 17.044 19.000 0.103 0.000 0.814 291 A HN 0.585 nan 8.150 nan 0.000 0.444 292 T N 0.111 114.654 114.554 -0.018 0.000 2.699 292 T HA -0.223 4.127 4.350 -0.001 0.000 0.268 292 T C 2.043 176.739 174.700 -0.006 0.000 1.036 292 T CA 1.859 63.957 62.100 -0.004 0.000 1.147 292 T CB -0.241 68.624 68.868 -0.004 0.000 0.862 292 T HN 0.611 nan 8.240 nan 0.000 0.446 293 Q N -0.205 119.564 119.800 -0.051 0.000 2.089 293 Q HA 0.112 4.452 4.340 -0.001 0.000 0.195 293 Q C 0.165 176.130 176.000 -0.059 0.000 0.963 293 Q CA 0.797 56.568 55.803 -0.052 0.000 0.834 293 Q CB 0.413 29.078 28.738 -0.122 0.000 0.906 293 Q HN 0.298 nan 8.270 nan 0.000 0.452 294 V N 1.621 121.464 119.914 -0.119 0.000 2.569 294 V HA 0.169 4.288 4.120 -0.001 0.000 0.301 294 V C -0.300 175.838 176.094 0.073 0.000 1.044 294 V CA -0.734 61.535 62.300 -0.052 0.000 0.874 294 V CB 1.721 33.459 31.823 -0.143 0.000 1.002 294 V HN 0.240 nan 8.190 nan 0.000 0.424 295 S N 3.541 119.301 115.700 0.100 0.000 2.617 295 S HA 0.412 4.881 4.470 -0.001 0.000 0.269 295 S C 1.161 175.821 174.600 0.099 0.000 1.292 295 S CA -0.470 57.806 58.200 0.128 0.000 1.010 295 S CB 1.722 64.967 63.200 0.075 0.000 0.944 295 S HN 0.388 nan 8.310 nan 0.000 0.536 296 V N 1.767 121.664 119.914 -0.028 0.000 2.332 296 V HA -0.167 3.953 4.120 -0.001 0.000 0.248 296 V C 2.903 178.968 176.094 -0.049 0.000 1.055 296 V CA 2.355 64.550 62.300 -0.175 0.000 1.038 296 V CB -1.270 30.387 31.823 -0.276 0.000 0.651 296 V HN 1.045 nan 8.190 nan 0.000 0.450 297 S N -0.253 115.444 115.700 -0.006 0.000 2.359 297 S HA -0.248 4.222 4.470 -0.001 0.000 0.224 297 S C 1.760 176.393 174.600 0.056 0.000 1.035 297 S CA 1.964 60.183 58.200 0.032 0.000 1.018 297 S CB -0.438 62.789 63.200 0.044 0.000 0.876 297 S HN 0.656 nan 8.310 nan 0.000 0.448 298 D N 0.444 120.875 120.400 0.051 0.000 2.178 298 D HA -0.026 4.613 4.640 -0.001 0.000 0.202 298 D C 2.050 178.334 176.300 -0.027 0.000 0.974 298 D CA 1.284 55.282 54.000 -0.004 0.000 0.841 298 D CB -0.787 39.972 40.800 -0.068 0.000 0.953 298 D HN 0.421 nan 8.370 nan 0.000 0.478 299 T N 0.207 114.784 114.554 0.039 0.000 2.746 299 T HA -0.082 4.267 4.350 -0.001 0.000 0.267 299 T C 2.202 176.965 174.700 0.105 0.000 1.039 299 T CA 0.682 62.842 62.100 0.100 0.000 1.142 299 T CB -0.227 68.742 68.868 0.168 0.000 0.866 299 T HN -0.008 nan 8.240 nan 0.000 0.444 300 V N 2.082 122.049 119.914 0.089 0.000 2.548 300 V HA -0.124 3.996 4.120 -0.001 0.000 0.249 300 V C 2.772 179.042 176.094 0.293 0.000 1.055 300 V CA 1.866 64.262 62.300 0.161 0.000 1.065 300 V CB -0.667 31.221 31.823 0.108 0.000 0.681 300 V HN 0.654 nan 8.190 nan 0.000 0.462 301 S N 0.435 116.244 115.700 0.183 0.000 2.414 301 S HA -0.138 4.331 4.470 -0.001 0.000 0.227 301 S C 1.935 176.627 174.600 0.153 0.000 1.022 301 S CA 1.359 59.653 58.200 0.156 0.000 0.958 301 S CB -0.400 62.880 63.200 0.133 0.000 0.797 301 S HN 0.702 nan 8.310 nan 0.000 0.493 302 T N -4.300 110.349 114.554 0.158 0.000 3.037 302 T HA 0.179 4.529 4.350 -0.001 0.000 0.252 302 T C 0.272 175.128 174.700 0.261 0.000 1.073 302 T CA 0.048 62.233 62.100 0.142 0.000 1.091 302 T CB -0.696 68.193 68.868 0.035 0.000 0.935 302 T HN 0.244 nan 8.240 nan 0.000 0.488 303 Y N 0.356 120.675 120.300 0.030 0.000 3.689 303 Y HA -0.164 4.385 4.550 -0.001 0.000 0.221 303 Y C 1.168 177.087 175.900 0.032 0.000 1.247 303 Y CA -0.260 57.864 58.100 0.041 0.000 1.671 303 Y CB -2.357 36.132 38.460 0.047 0.000 1.521 303 Y HN 0.360 nan 8.280 nan 0.000 0.632 304 L N -0.746 120.514 121.223 0.062 0.000 2.043 304 L HA -0.174 4.165 4.340 -0.001 0.000 0.212 304 L C 1.890 178.636 176.870 -0.207 0.000 1.075 304 L CA 2.265 57.042 54.840 -0.105 0.000 0.752 304 L CB -0.644 41.221 42.059 -0.324 0.000 0.891 304 L HN 0.239 nan 8.230 nan 0.000 0.432 305 F N -0.942 119.003 119.950 -0.009 0.000 2.797 305 F HA 0.101 4.627 4.527 -0.001 0.000 0.302 305 F C 1.869 177.642 175.800 -0.046 0.000 1.130 305 F CA 0.393 58.358 58.000 -0.057 0.000 1.387 305 F CB -0.532 38.333 39.000 -0.225 0.000 1.107 305 F HN 0.259 nan 8.300 nan 0.000 0.577 306 N N 0.799 119.529 118.700 0.050 0.000 2.346 306 N HA -0.009 4.730 4.740 -0.001 0.000 0.225 306 N C 0.018 175.599 175.510 0.118 0.000 1.144 306 N CA -0.105 52.960 53.050 0.024 0.000 0.837 306 N CB 0.214 38.676 38.487 -0.042 0.000 1.069 306 N HN 0.177 nan 8.380 nan 0.000 0.487 307 S N -0.557 115.226 115.700 0.139 0.000 2.669 307 S HA 0.287 4.757 4.470 -0.001 0.000 0.270 307 S C -0.066 174.599 174.600 0.109 0.000 1.225 307 S CA -0.658 57.622 58.200 0.135 0.000 0.991 307 S CB 1.753 65.039 63.200 0.143 0.000 0.987 307 S HN 0.182 nan 8.310 nan 0.000 0.552 308 Q N 0.137 119.977 119.800 0.068 0.000 2.257 308 Q HA 0.508 4.848 4.340 -0.001 0.000 0.255 308 Q C -1.400 174.600 176.000 0.000 0.000 0.920 308 Q CA -0.677 55.141 55.803 0.025 0.000 0.927 308 Q CB 1.543 30.264 28.738 -0.029 0.000 1.229 308 Q HN 0.559 nan 8.270 nan 0.000 0.433 309 L N 4.873 126.105 121.223 0.015 0.000 2.301 309 L HA 0.399 4.738 4.340 -0.001 0.000 0.278 309 L C -1.475 175.384 176.870 -0.017 0.000 1.022 309 L CA -0.005 54.833 54.840 -0.004 0.000 0.854 309 L CB 0.468 42.555 42.059 0.048 0.000 1.226 309 L HN 0.525 nan 8.230 nan 0.000 0.429 310 L N 2.688 123.843 121.223 -0.113 0.000 2.360 310 L HA 0.608 4.948 4.340 -0.001 0.000 0.271 310 L C 0.270 177.152 176.870 0.020 0.000 1.057 310 L CA -0.600 54.145 54.840 -0.157 0.000 0.803 310 L CB 1.591 43.208 42.059 -0.736 0.000 1.207 310 L HN 0.455 nan 8.230 nan 0.000 0.445 311 S N 0.990 116.806 115.700 0.193 0.000 2.449 311 S HA 0.508 4.978 4.470 -0.001 0.000 0.310 311 S C -0.322 174.460 174.600 0.303 0.000 1.096 311 S CA -0.789 57.529 58.200 0.197 0.000 1.095 311 S CB 1.368 64.635 63.200 0.111 0.000 1.007 311 S HN 0.451 nan 8.310 nan 0.000 0.474 312 R N 1.190 121.810 120.500 0.200 0.000 2.528 312 R HA 0.245 4.585 4.340 -0.001 0.000 0.271 312 R C 0.319 176.623 176.300 0.006 0.000 1.056 312 R CA -0.722 55.440 56.100 0.103 0.000 1.117 312 R CB 0.434 30.777 30.300 0.073 0.000 1.085 312 R HN 0.583 nan 8.270 nan 0.000 0.530 313 D N 1.257 121.617 120.400 -0.067 0.000 2.265 313 D HA -0.167 4.472 4.640 -0.001 0.000 0.208 313 D C 1.007 177.282 176.300 -0.043 0.000 0.977 313 D CA 1.333 55.288 54.000 -0.074 0.000 0.871 313 D CB 0.014 40.749 40.800 -0.108 0.000 0.925 313 D HN 0.581 nan 8.370 nan 0.000 0.485 314 D N -0.613 119.769 120.400 -0.030 0.000 2.349 314 D HA 0.005 4.644 4.640 -0.001 0.000 0.224 314 D C 1.598 177.894 176.300 -0.007 0.000 1.029 314 D CA 0.977 54.966 54.000 -0.018 0.000 0.879 314 D CB 0.211 40.999 40.800 -0.019 0.000 0.906 314 D HN 0.264 nan 8.370 nan 0.000 0.528 315 G N 0.436 109.234 108.800 -0.004 0.000 2.232 315 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.226 315 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.226 315 G C 0.494 175.393 174.900 -0.001 0.000 0.996 315 G CA 0.378 45.479 45.100 0.001 0.000 0.626 315 G HN 0.770 nan 8.290 nan 0.000 0.509 316 S N 0.169 115.869 115.700 0.000 0.000 2.596 316 S HA 0.747 5.217 4.470 -0.001 0.000 0.260 316 S C 0.296 174.904 174.600 0.013 0.000 1.336 316 S CA 0.120 58.317 58.200 -0.005 0.000 0.993 316 S CB 1.221 64.416 63.200 -0.007 0.000 0.923 316 S HN 0.488 nan 8.310 nan 0.000 0.567 317 M N 1.299 120.894 119.600 -0.009 0.000 2.530 317 M HA 0.461 4.940 4.480 -0.001 0.000 0.307 317 M C -0.713 175.572 176.300 -0.025 0.000 1.161 317 M CA -0.371 54.924 55.300 -0.008 0.000 0.903 317 M CB 2.347 34.924 32.600 -0.039 0.000 1.711 317 M HN 0.771 nan 8.290 nan 0.000 0.451 318 M N 3.093 122.676 119.600 -0.028 0.000 2.311 318 M HA 0.540 5.019 4.480 -0.001 0.000 0.325 318 M C -2.016 174.236 176.300 -0.080 0.000 1.061 318 M CA -0.702 54.573 55.300 -0.042 0.000 0.957 318 M CB 1.438 34.035 32.600 -0.005 0.000 1.646 318 M HN 0.675 nan 8.290 nan 0.000 0.434 319 L N 5.504 126.687 121.223 -0.066 0.000 2.265 319 L HA 0.435 4.775 4.340 -0.001 0.000 0.289 319 L C -0.910 175.977 176.870 0.028 0.000 1.033 319 L CA -0.804 54.006 54.840 -0.050 0.000 0.814 319 L CB 1.623 43.622 42.059 -0.100 0.000 1.203 319 L HN 0.478 nan 8.230 nan 0.000 0.423 320 V N 6.140 126.084 119.914 0.050 0.000 2.368 320 V HA 0.342 4.462 4.120 -0.001 0.000 0.266 320 V C 0.204 176.404 176.094 0.175 0.000 1.045 320 V CA -0.231 62.161 62.300 0.153 0.000 0.899 320 V CB 1.133 33.016 31.823 0.100 0.000 1.006 320 V HN 0.520 nan 8.190 nan 0.000 0.470 321 L N 7.654 129.014 121.223 0.228 0.000 2.319 321 L HA 0.660 4.999 4.340 -0.001 0.000 0.267 321 L C -2.369 174.638 176.870 0.227 0.000 1.011 321 L CA -1.977 52.988 54.840 0.209 0.000 0.818 321 L CB 2.699 44.882 42.059 0.207 0.000 1.316 321 L HN 0.375 nan 8.230 nan 0.000 0.432 322 P HA 0.059 nan 4.420 nan 0.000 0.282 322 P C -0.222 177.136 177.300 0.096 0.000 1.249 322 P CA -0.488 62.707 63.100 0.159 0.000 0.806 322 P CB 1.390 33.176 31.700 0.143 0.000 0.984 323 Q N 1.668 121.505 119.800 0.062 0.000 2.182 323 Q HA -0.282 4.057 4.340 -0.001 0.000 0.213 323 Q C 1.219 177.202 176.000 -0.029 0.000 1.000 323 Q CA 2.320 58.114 55.803 -0.014 0.000 0.889 323 Q CB -0.294 28.440 28.738 -0.007 0.000 0.932 323 Q HN 0.373 nan 8.270 nan 0.000 0.415 324 E N -0.268 119.942 120.200 0.018 0.000 2.219 324 E HA -0.187 4.162 4.350 -0.001 0.000 0.198 324 E C 1.922 178.567 176.600 0.076 0.000 0.998 324 E CA 1.373 57.798 56.400 0.041 0.000 0.818 324 E CB -0.494 29.238 29.700 0.053 0.000 0.741 324 E HN 0.419 nan 8.360 nan 0.000 0.477 325 C N -0.102 119.248 119.300 0.083 0.000 2.435 325 C HA -0.021 4.438 4.460 -0.001 0.000 0.279 325 C C 2.561 177.647 174.990 0.159 0.000 1.321 325 C CA 0.749 59.862 59.018 0.160 0.000 1.752 325 C CB -0.658 27.213 27.740 0.219 0.000 1.959 325 C HN 0.405 nan 8.230 nan 0.000 0.500 326 R N 0.971 121.359 120.500 -0.187 0.000 2.127 326 R HA -0.043 4.296 4.340 -0.001 0.000 0.217 326 R C 1.919 178.004 176.300 -0.357 0.000 1.074 326 R CA 1.065 56.720 56.100 -0.743 0.000 0.991 326 R CB -0.152 29.383 30.300 -1.276 0.000 0.895 326 R HN 0.568 nan 8.270 nan 0.000 0.450 327 E N -0.429 119.676 120.200 -0.158 0.000 2.268 327 E HA -0.162 4.188 4.350 -0.001 0.000 0.195 327 E C 0.096 176.719 176.600 0.038 0.000 0.995 327 E CA 0.433 56.794 56.400 -0.065 0.000 0.836 327 E CB -0.048 29.632 29.700 -0.032 0.000 0.763 327 E HN 0.295 nan 8.360 nan 0.000 0.491 328 H N 0.284 119.374 119.070 0.034 0.000 2.820 328 H HA 0.298 4.854 4.556 -0.001 0.000 0.278 328 H C 0.825 176.243 175.328 0.150 0.000 1.142 328 H CA 0.036 56.138 56.048 0.089 0.000 1.346 328 H CB 0.803 30.629 29.762 0.107 0.000 1.438 328 H HN 0.063 nan 8.280 nan 0.000 0.473 329 A N 4.605 127.454 122.820 0.048 0.000 1.896 329 A HA -0.271 4.048 4.320 -0.001 0.000 0.220 329 A C 2.464 180.209 177.584 0.269 0.000 1.206 329 A CA 2.153 54.274 52.037 0.140 0.000 0.647 329 A CB -1.243 17.770 19.000 0.020 0.000 0.828 329 A HN 0.795 nan 8.150 nan 0.000 0.455 330 G N -1.254 107.734 108.800 0.312 0.000 2.421 330 G HA2 -0.070 3.890 3.960 -0.001 0.000 0.216 330 G HA3 -0.070 3.890 3.960 -0.001 0.000 0.216 330 G C 1.523 176.650 174.900 0.379 0.000 1.171 330 G CA 1.288 46.605 45.100 0.362 0.000 0.775 330 G HN 0.388 nan 8.290 nan 0.000 0.543 331 V N -0.177 120.020 119.914 0.472 0.000 2.307 331 V HA -0.119 4.001 4.120 -0.001 0.000 0.245 331 V C 2.255 178.557 176.094 0.347 0.000 1.045 331 V CA 1.562 64.015 62.300 0.256 0.000 1.024 331 V CB -0.612 31.230 31.823 0.033 0.000 0.651 331 V HN 0.638 nan 8.190 nan 0.000 0.449 332 W N 1.086 122.485 121.300 0.165 0.000 2.363 332 W HA -0.150 4.510 4.660 -0.001 0.000 0.296 332 W C 2.136 178.697 176.519 0.070 0.000 1.212 332 W CA 1.312 58.714 57.345 0.094 0.000 1.260 332 W CB -0.251 29.257 29.460 0.081 0.000 1.131 332 W HN 0.373 nan 8.180 nan 0.000 0.530 333 G N -0.358 108.526 108.800 0.140 0.000 2.421 333 G HA2 -0.402 3.558 3.960 -0.001 0.000 0.216 333 G HA3 -0.402 3.558 3.960 -0.001 0.000 0.216 333 G C 1.185 176.058 174.900 -0.044 0.000 1.171 333 G CA 1.170 46.275 45.100 0.008 0.000 0.775 333 G HN 0.423 nan 8.290 nan 0.000 0.543 334 Y N 1.327 121.609 120.300 -0.030 0.000 2.181 334 Y HA -0.035 4.515 4.550 -0.001 0.000 0.288 334 Y C 2.508 178.344 175.900 -0.107 0.000 1.146 334 Y CA 1.294 59.369 58.100 -0.041 0.000 1.164 334 Y CB -0.344 38.118 38.460 0.004 0.000 0.982 334 Y HN 0.118 nan 8.280 nan 0.000 0.515 335 L N 0.114 121.116 121.223 -0.368 0.000 2.046 335 L HA -0.264 4.075 4.340 -0.001 0.000 0.208 335 L C 1.883 178.392 176.870 -0.601 0.000 1.077 335 L CA 1.894 56.428 54.840 -0.511 0.000 0.747 335 L CB -0.649 41.200 42.059 -0.349 0.000 0.896 335 L HN 0.247 nan 8.230 nan 0.000 0.432 336 N N -0.508 117.812 118.700 -0.633 0.000 2.331 336 N HA -0.179 4.561 4.740 -0.001 0.000 0.180 336 N C 1.733 177.019 175.510 -0.373 0.000 1.019 336 N CA 0.716 53.446 53.050 -0.534 0.000 0.881 336 N CB 0.007 38.176 38.487 -0.530 0.000 0.972 336 N HN 0.327 nan 8.380 nan 0.000 0.435 337 E N 0.152 120.134 120.200 -0.363 0.000 2.072 337 E HA -0.122 4.228 4.350 -0.001 0.000 0.191 337 E C 1.683 178.087 176.600 -0.326 0.000 0.985 337 E CA 0.568 56.801 56.400 -0.278 0.000 0.801 337 E CB 0.009 29.584 29.700 -0.208 0.000 0.750 337 E HN 0.185 nan 8.360 nan 0.000 0.452 338 L N 0.856 121.769 121.223 -0.516 0.000 2.141 338 L HA -0.102 4.237 4.340 -0.001 0.000 0.209 338 L C 2.137 178.811 176.870 -0.327 0.000 1.094 338 L CA 1.167 55.730 54.840 -0.463 0.000 0.763 338 L CB -0.502 41.154 42.059 -0.672 0.000 0.908 338 L HN 0.248 nan 8.230 nan 0.000 0.437 339 L N -0.047 120.974 121.223 -0.336 0.000 2.017 339 L HA -0.072 4.267 4.340 -0.001 0.000 0.208 339 L C 2.467 179.222 176.870 -0.192 0.000 1.073 339 L CA 2.185 56.871 54.840 -0.257 0.000 0.745 339 L CB -1.157 40.739 42.059 -0.273 0.000 0.894 339 L HN 0.264 nan 8.230 nan 0.000 0.432 340 A N -0.105 122.602 122.820 -0.188 0.000 1.929 340 A HA 0.258 4.578 4.320 -0.001 0.000 0.216 340 A C 1.579 179.093 177.584 -0.117 0.000 1.176 340 A CA 0.733 52.688 52.037 -0.136 0.000 0.628 340 A CB -1.253 17.671 19.000 -0.127 0.000 0.816 340 A HN 0.548 nan 8.150 nan 0.000 0.444 341 A N 0.423 123.164 122.820 -0.132 0.000 2.536 341 A HA 0.267 4.587 4.320 -0.001 0.000 0.234 341 A C -0.001 177.529 177.584 -0.091 0.000 1.076 341 A CA 0.279 52.255 52.037 -0.102 0.000 0.769 341 A CB -0.146 18.790 19.000 -0.107 0.000 1.020 341 A HN 0.370 nan 8.150 nan 0.000 0.508 342 D N 0.836 121.195 120.400 -0.067 0.000 2.338 342 D HA 0.420 5.060 4.640 -0.001 0.000 0.255 342 D C -0.196 176.065 176.300 -0.064 0.000 1.237 342 D CA 0.541 54.505 54.000 -0.060 0.000 0.883 342 D CB -0.335 40.439 40.800 -0.045 0.000 1.087 342 D HN 0.720 nan 8.370 nan 0.000 0.485 343 N N 1.301 119.957 118.700 -0.073 0.000 3.717 343 N HA 0.243 4.982 4.740 -0.001 0.000 0.239 343 N C -2.634 172.826 175.510 -0.082 0.000 1.388 343 N CA -0.915 52.088 53.050 -0.079 0.000 0.828 343 N CB 0.140 38.571 38.487 -0.093 0.000 1.468 343 N HN -0.064 nan 8.380 nan 0.000 0.445 344 P HA 0.169 nan 4.420 nan 0.000 0.221 344 P C -0.197 177.052 177.300 -0.086 0.000 1.150 344 P CA 0.788 63.844 63.100 -0.072 0.000 0.800 344 P CB 0.154 31.816 31.700 -0.064 0.000 0.787 345 I N 0.727 121.221 120.570 -0.125 0.000 2.573 345 I HA -0.047 4.122 4.170 -0.001 0.000 0.295 345 I C 0.930 176.969 176.117 -0.131 0.000 1.141 345 I CA 0.460 61.669 61.300 -0.152 0.000 1.364 345 I CB -0.207 37.649 38.000 -0.240 0.000 1.447 345 I HN 0.027 nan 8.210 nan 0.000 0.571 346 S N 3.625 119.270 115.700 -0.092 0.000 2.578 346 S HA 0.273 4.742 4.470 -0.001 0.000 0.231 346 S C 0.154 174.713 174.600 -0.067 0.000 0.994 346 S CA -0.492 57.661 58.200 -0.078 0.000 0.956 346 S CB 0.268 63.436 63.200 -0.053 0.000 0.870 346 S HN 0.713 nan 8.310 nan 0.000 0.494 347 E N 0.595 120.754 120.200 -0.069 0.000 2.363 347 E HA 0.489 4.839 4.350 -0.001 0.000 0.281 347 E C -1.953 174.620 176.600 -0.045 0.000 0.953 347 E CA -0.721 55.653 56.400 -0.044 0.000 0.778 347 E CB 1.387 31.086 29.700 -0.002 0.000 1.220 347 E HN 0.299 nan 8.360 nan 0.000 0.431 348 L N 3.206 124.415 121.223 -0.024 0.000 2.333 348 L HA 0.588 4.927 4.340 -0.001 0.000 0.280 348 L C -0.571 176.342 176.870 0.072 0.000 1.004 348 L CA -0.987 53.866 54.840 0.022 0.000 0.820 348 L CB 1.636 43.704 42.059 0.015 0.000 1.247 348 L HN 0.322 nan 8.230 nan 0.000 0.416 349 K N 2.554 123.002 120.400 0.079 0.000 2.376 349 K HA 0.644 4.963 4.320 -0.001 0.000 0.257 349 K C -1.335 175.277 176.600 0.021 0.000 0.939 349 K CA -0.413 55.887 56.287 0.023 0.000 0.809 349 K CB 1.903 34.452 32.500 0.082 0.000 1.121 349 K HN 0.299 nan 8.250 nan 0.000 0.425 350 V N 4.938 124.755 119.914 -0.161 0.000 2.667 350 V HA 0.643 4.762 4.120 -0.001 0.000 0.308 350 V C -0.776 175.074 176.094 -0.406 0.000 1.048 350 V CA -0.657 61.568 62.300 -0.126 0.000 0.928 350 V CB 1.181 32.924 31.823 -0.133 0.000 1.004 350 V HN 0.652 nan 8.190 nan 0.000 0.444 351 F N 0.534 120.489 119.950 0.010 0.000 2.613 351 F HA 0.448 4.974 4.527 -0.001 0.000 0.314 351 F C -0.220 175.583 175.800 0.006 0.000 1.075 351 F CA -0.872 57.135 58.000 0.012 0.000 0.945 351 F CB 1.688 40.704 39.000 0.027 0.000 1.310 351 F HN 0.400 nan 8.300 nan 0.000 0.467 352 D N 2.359 122.893 120.400 0.222 0.000 2.380 352 D HA 0.362 5.001 4.640 -0.001 0.000 0.230 352 D C -0.414 175.966 176.300 0.134 0.000 1.154 352 D CA 0.266 54.341 54.000 0.124 0.000 0.859 352 D CB 0.498 41.348 40.800 0.084 0.000 1.045 352 D HN 0.510 nan 8.370 nan 0.000 0.495 353 L N 4.312 125.599 121.223 0.107 0.000 3.291 353 L HA 0.304 4.644 4.340 -0.001 0.000 0.307 353 L C 1.935 178.845 176.870 0.067 0.000 1.303 353 L CA -0.381 54.513 54.840 0.091 0.000 0.949 353 L CB 0.433 42.553 42.059 0.103 0.000 1.375 353 L HN 0.183 nan 8.230 nan 0.000 0.596 354 R N 0.331 120.862 120.500 0.052 0.000 2.103 354 R HA -0.169 4.171 4.340 -0.001 0.000 0.242 354 R C 1.714 178.049 176.300 0.059 0.000 1.142 354 R CA 1.427 57.543 56.100 0.027 0.000 0.960 354 R CB 0.113 30.426 30.300 0.022 0.000 0.858 354 R HN 0.371 nan 8.270 nan 0.000 0.439 355 E N 0.058 120.329 120.200 0.118 0.000 2.051 355 E HA -0.175 4.175 4.350 -0.001 0.000 0.192 355 E C 1.996 178.759 176.600 0.272 0.000 0.991 355 E CA 1.324 57.869 56.400 0.242 0.000 0.799 355 E CB -0.393 29.375 29.700 0.113 0.000 0.748 355 E HN 0.159 nan 8.360 nan 0.000 0.449 356 S N 0.023 115.823 115.700 0.166 0.000 2.355 356 S HA -0.091 4.379 4.470 -0.001 0.000 0.222 356 S C 1.911 176.670 174.600 0.265 0.000 1.031 356 S CA 0.833 59.221 58.200 0.314 0.000 0.993 356 S CB -0.008 63.375 63.200 0.304 0.000 0.859 356 S HN 0.086 nan 8.310 nan 0.000 0.453 357 M N 1.303 120.954 119.600 0.084 0.000 2.279 357 M HA 0.014 4.493 4.480 -0.001 0.000 0.264 357 M C 2.322 178.530 176.300 -0.153 0.000 1.062 357 M CA 1.244 56.483 55.300 -0.102 0.000 1.099 357 M CB -1.619 30.902 32.600 -0.132 0.000 1.394 357 M HN 0.513 nan 8.290 nan 0.000 0.426 358 A N -0.182 122.556 122.820 -0.136 0.000 2.067 358 A HA -0.105 4.215 4.320 -0.001 0.000 0.219 358 A C 1.745 179.242 177.584 -0.144 0.000 1.158 358 A CA 1.312 53.039 52.037 -0.518 0.000 0.661 358 A CB -0.465 18.068 19.000 -0.778 0.000 0.801 358 A HN 0.447 nan 8.150 nan 0.000 0.452 359 N N -1.098 117.726 118.700 0.206 0.000 2.238 359 N HA 0.222 4.962 4.740 -0.001 0.000 0.222 359 N C 0.817 176.277 175.510 -0.082 0.000 1.133 359 N CA 0.843 54.035 53.050 0.236 0.000 0.854 359 N CB 0.591 39.418 38.487 0.568 0.000 1.041 359 N HN 0.520 nan 8.380 nan 0.000 0.510 360 G N -0.705 108.028 108.800 -0.111 0.000 2.132 360 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.234 360 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.234 360 G C 0.249 175.111 174.900 -0.064 0.000 0.989 360 G CA -0.056 44.989 45.100 -0.092 0.000 0.676 360 G HN 0.552 nan 8.290 nan 0.000 0.522 361 G N -0.591 108.096 108.800 -0.189 0.000 2.544 361 G HA2 0.804 4.764 3.960 -0.001 0.000 0.313 361 G HA3 0.804 4.764 3.960 -0.001 0.000 0.313 361 G C 0.334 175.336 174.900 0.170 0.000 1.316 361 G CA 0.404 45.450 45.100 -0.090 0.000 0.944 361 G HN 1.038 nan 8.290 nan 0.000 0.489 362 G N 1.514 110.500 108.800 0.309 0.000 2.828 362 G HA2 0.626 4.586 3.960 -0.001 0.000 0.244 362 G HA3 0.626 4.586 3.960 -0.001 0.000 0.244 362 G C -1.374 173.660 174.900 0.223 0.000 1.365 362 G CA -1.168 44.104 45.100 0.286 0.000 1.041 362 G HN 0.336 nan 8.290 nan 0.000 0.560 363 P HA -0.123 nan 4.420 nan 0.000 0.215 363 P C 2.043 179.399 177.300 0.092 0.000 1.157 363 P CA 2.536 65.690 63.100 0.089 0.000 0.874 363 P CB 0.103 31.845 31.700 0.070 0.000 0.790 364 A N -1.243 121.642 122.820 0.109 0.000 1.898 364 A HA -0.186 4.133 4.320 -0.001 0.000 0.216 364 A C 2.372 180.025 177.584 0.116 0.000 1.181 364 A CA 1.581 53.672 52.037 0.090 0.000 0.620 364 A CB -1.726 17.318 19.000 0.074 0.000 0.819 364 A HN 0.212 nan 8.150 nan 0.000 0.442 365 C N -0.596 118.797 119.300 0.155 0.000 2.411 365 C HA -0.079 4.381 4.460 -0.001 0.000 0.279 365 C C 2.344 177.531 174.990 0.329 0.000 1.288 365 C CA 0.994 60.135 59.018 0.204 0.000 1.764 365 C CB -1.490 26.355 27.740 0.176 0.000 1.974 365 C HN 0.595 nan 8.230 nan 0.000 0.498 366 L N 0.402 121.805 121.223 0.300 0.000 2.599 366 L HA 0.047 4.386 4.340 -0.001 0.000 0.230 366 L C 0.889 177.839 176.870 0.132 0.000 1.141 366 L CA 0.420 55.397 54.840 0.227 0.000 0.877 366 L CB -0.358 41.796 42.059 0.158 0.000 1.009 366 L HN 0.484 nan 8.230 nan 0.000 0.447 367 R N -0.018 120.556 120.500 0.123 0.000 2.744 367 R HA 0.652 4.992 4.340 -0.001 0.000 0.279 367 R C -1.329 175.036 176.300 0.109 0.000 0.977 367 R CA -0.738 55.426 56.100 0.108 0.000 0.906 367 R CB 1.426 31.769 30.300 0.073 0.000 1.197 367 R HN -0.135 nan 8.270 nan 0.000 0.463 368 L N 1.746 123.052 121.223 0.139 0.000 2.342 368 L HA 0.545 4.884 4.340 -0.001 0.000 0.276 368 L C -0.805 176.144 176.870 0.133 0.000 0.997 368 L CA -0.560 54.339 54.840 0.098 0.000 0.838 368 L CB 1.490 43.582 42.059 0.055 0.000 1.224 368 L HN 0.675 nan 8.230 nan 0.000 0.416 369 R N 4.061 124.610 120.500 0.082 0.000 2.316 369 R HA 0.516 4.855 4.340 -0.001 0.000 0.314 369 R C -1.049 175.282 176.300 0.052 0.000 1.069 369 R CA -0.294 55.853 56.100 0.079 0.000 0.959 369 R CB 0.838 31.161 30.300 0.037 0.000 0.987 369 R HN 0.485 nan 8.270 nan 0.000 0.446 370 V N 4.690 124.674 119.914 0.116 0.000 2.357 370 V HA 0.134 4.254 4.120 -0.001 0.000 0.281 370 V C -0.024 176.141 176.094 0.119 0.000 1.015 370 V CA -0.888 61.458 62.300 0.076 0.000 0.827 370 V CB 1.600 33.453 31.823 0.049 0.000 1.018 370 V HN 0.483 nan 8.190 nan 0.000 0.432 371 V N 7.035 126.979 119.914 0.051 0.000 2.479 371 V HA 0.309 4.428 4.120 -0.001 0.000 0.281 371 V C 0.024 176.192 176.094 0.124 0.000 1.031 371 V CA 0.355 62.688 62.300 0.054 0.000 1.038 371 V CB 0.802 32.655 31.823 0.049 0.000 0.981 371 V HN 0.627 nan 8.190 nan 0.000 0.478 372 L N 4.693 126.004 121.223 0.147 0.000 2.422 372 L HA 0.559 4.898 4.340 -0.001 0.000 0.264 372 L C 0.456 177.353 176.870 0.045 0.000 0.984 372 L CA -0.643 54.286 54.840 0.147 0.000 0.819 372 L CB 2.540 44.738 42.059 0.233 0.000 1.330 372 L HN 0.708 nan 8.230 nan 0.000 0.410 373 T N -3.031 111.530 114.554 0.011 0.000 2.732 373 T HA 0.110 4.460 4.350 -0.001 0.000 0.287 373 T C 0.910 175.515 174.700 -0.158 0.000 0.993 373 T CA -0.145 61.908 62.100 -0.079 0.000 0.966 373 T CB 1.318 70.155 68.868 -0.051 0.000 1.047 373 T HN 0.800 nan 8.240 nan 0.000 0.527 374 E N 0.055 120.115 120.200 -0.234 0.000 2.031 374 E HA -0.233 4.116 4.350 -0.001 0.000 0.193 374 E C 2.063 178.579 176.600 -0.141 0.000 0.994 374 E CA 1.534 57.775 56.400 -0.265 0.000 0.800 374 E CB -0.193 29.357 29.700 -0.250 0.000 0.752 374 E HN 0.865 nan 8.360 nan 0.000 0.447 375 E N -0.043 120.095 120.200 -0.103 0.000 2.153 375 E HA -0.231 4.118 4.350 -0.001 0.000 0.194 375 E C 1.787 178.351 176.600 -0.060 0.000 0.988 375 E CA 1.326 57.681 56.400 -0.076 0.000 0.811 375 E CB 0.099 29.753 29.700 -0.076 0.000 0.746 375 E HN 0.379 nan 8.360 nan 0.000 0.466 376 E N -0.185 119.988 120.200 -0.044 0.000 2.076 376 E HA -0.117 4.233 4.350 -0.001 0.000 0.190 376 E C 2.234 178.942 176.600 0.180 0.000 0.979 376 E CA 0.489 56.901 56.400 0.021 0.000 0.807 376 E CB 0.019 29.758 29.700 0.064 0.000 0.761 376 E HN 0.105 nan 8.360 nan 0.000 0.454 377 R N 0.659 121.215 120.500 0.093 0.000 2.096 377 R HA -0.093 4.246 4.340 -0.001 0.000 0.235 377 R C 2.266 178.608 176.300 0.071 0.000 1.127 377 R CA 1.081 57.238 56.100 0.095 0.000 0.968 377 R CB -0.071 30.217 30.300 -0.020 0.000 0.861 377 R HN -0.118 nan 8.270 nan 0.000 0.440 378 R N 0.245 120.759 120.500 0.022 0.000 2.285 378 R HA 0.032 4.372 4.340 -0.001 0.000 0.213 378 R C 1.363 177.690 176.300 0.044 0.000 1.068 378 R CA 1.295 57.403 56.100 0.013 0.000 1.004 378 R CB -0.183 30.107 30.300 -0.017 0.000 0.873 378 R HN 0.256 nan 8.270 nan 0.000 0.467 379 A N -0.635 122.245 122.820 0.099 0.000 2.147 379 A HA 0.234 4.554 4.320 -0.001 0.000 0.211 379 A C 0.371 178.105 177.584 0.250 0.000 1.160 379 A CA -0.111 52.019 52.037 0.155 0.000 0.781 379 A CB 0.242 19.303 19.000 0.102 0.000 0.842 379 A HN 0.046 nan 8.150 nan 0.000 0.475 380 V N 2.039 122.074 119.914 0.202 0.000 2.715 380 V HA -0.007 4.113 4.120 -0.001 0.000 0.299 380 V C 0.739 176.799 176.094 -0.055 0.000 1.054 380 V CA -0.675 61.622 62.300 -0.004 0.000 1.077 380 V CB 0.482 32.281 31.823 -0.041 0.000 0.972 380 V HN 0.566 nan 8.190 nan 0.000 0.484 381 N N 5.840 124.455 118.700 -0.142 0.000 2.394 381 N HA -0.012 4.728 4.740 -0.001 0.000 0.277 381 N C -1.587 173.872 175.510 -0.085 0.000 1.346 381 N CA -0.921 52.067 53.050 -0.104 0.000 0.910 381 N CB 1.186 39.590 38.487 -0.139 0.000 1.201 381 N HN 0.376 nan 8.380 nan 0.000 0.488 382 P HA -0.133 nan 4.420 nan 0.000 0.218 382 P C 0.764 178.032 177.300 -0.053 0.000 1.146 382 P CA 1.158 64.232 63.100 -0.043 0.000 0.813 382 P CB 0.181 31.865 31.700 -0.026 0.000 0.778 383 A N -0.493 122.291 122.820 -0.059 0.000 2.067 383 A HA -0.101 4.218 4.320 -0.001 0.000 0.219 383 A C 1.987 179.525 177.584 -0.076 0.000 1.158 383 A CA 1.733 53.733 52.037 -0.062 0.000 0.661 383 A CB -1.389 17.573 19.000 -0.063 0.000 0.801 383 A HN 0.257 nan 8.150 nan 0.000 0.452 384 V N -3.988 115.871 119.914 -0.091 0.000 3.647 384 V HA 0.253 4.373 4.120 -0.001 0.000 0.279 384 V C 0.530 176.543 176.094 -0.136 0.000 1.314 384 V CA -0.247 61.992 62.300 -0.102 0.000 1.125 384 V CB -0.660 31.112 31.823 -0.086 0.000 0.907 384 V HN 0.310 nan 8.190 nan 0.000 0.434 385 M N 1.799 121.324 119.600 -0.124 0.000 2.200 385 M HA 0.424 4.904 4.480 -0.001 0.000 0.355 385 M C -0.120 176.125 176.300 -0.091 0.000 1.283 385 M CA -0.165 55.053 55.300 -0.138 0.000 1.124 385 M CB 0.683 33.228 32.600 -0.091 0.000 1.625 385 M HN 0.390 nan 8.290 nan 0.000 0.463 386 M N 5.008 124.550 119.600 -0.097 0.000 2.243 386 M HA 0.251 4.730 4.480 -0.001 0.000 0.341 386 M C -0.399 175.886 176.300 -0.025 0.000 1.130 386 M CA 0.617 55.891 55.300 -0.044 0.000 1.162 386 M CB 0.184 32.756 32.600 -0.047 0.000 1.497 386 M HN 0.840 nan 8.290 nan 0.000 0.456 387 N N 0.732 119.437 118.700 0.008 0.000 3.405 387 N HA 0.229 4.969 4.740 -0.001 0.000 0.292 387 N C -0.623 174.918 175.510 0.053 0.000 1.456 387 N CA -0.575 52.478 53.050 0.006 0.000 0.861 387 N CB -0.020 38.469 38.487 0.004 0.000 1.643 387 N HN 0.485 nan 8.380 nan 0.000 0.474 388 D N -0.340 120.087 120.400 0.044 0.000 2.117 388 D HA -0.083 4.557 4.640 -0.001 0.000 0.197 388 D C 1.025 177.402 176.300 0.128 0.000 0.987 388 D CA 2.006 56.064 54.000 0.096 0.000 0.829 388 D CB -0.265 40.569 40.800 0.056 0.000 0.961 388 D HN 0.632 nan 8.370 nan 0.000 0.460 389 T N 1.538 116.136 114.554 0.074 0.000 2.674 389 T HA -0.161 4.189 4.350 -0.001 0.000 0.265 389 T C 1.979 176.713 174.700 0.057 0.000 1.039 389 T CA 0.634 62.768 62.100 0.056 0.000 1.150 389 T CB -0.387 68.498 68.868 0.030 0.000 0.864 389 T HN 0.037 nan 8.240 nan 0.000 0.427 390 L N 0.653 121.910 121.223 0.056 0.000 2.017 390 L HA 0.038 4.378 4.340 -0.001 0.000 0.208 390 L C 2.074 178.986 176.870 0.070 0.000 1.073 390 L CA 1.623 56.485 54.840 0.036 0.000 0.745 390 L CB -0.948 41.122 42.059 0.018 0.000 0.894 390 L HN 0.225 nan 8.230 nan 0.000 0.432 391 F N 0.704 120.641 119.950 -0.022 0.000 2.091 391 F HA -0.293 4.234 4.527 -0.001 0.000 0.299 391 F C 2.332 178.134 175.800 0.004 0.000 1.103 391 F CA 2.146 60.139 58.000 -0.012 0.000 1.228 391 F CB -0.519 38.476 39.000 -0.008 0.000 0.984 391 F HN 0.280 nan 8.300 nan 0.000 0.477 392 N N 0.577 119.272 118.700 -0.008 0.000 2.142 392 N HA -0.108 4.632 4.740 -0.001 0.000 0.186 392 N C 2.045 177.501 175.510 -0.090 0.000 1.023 392 N CA 1.373 54.366 53.050 -0.095 0.000 0.852 392 N CB -0.800 37.706 38.487 0.032 0.000 0.998 392 N HN 0.416 nan 8.380 nan 0.000 0.424 393 A N 1.034 123.835 122.820 -0.032 0.000 1.902 393 A HA -0.071 4.249 4.320 -0.001 0.000 0.217 393 A C 2.192 179.786 177.584 0.018 0.000 1.181 393 A CA 0.995 53.033 52.037 0.001 0.000 0.623 393 A CB -0.525 18.476 19.000 0.001 0.000 0.818 393 A HN 0.106 nan 8.150 nan 0.000 0.443 394 L N 0.398 121.594 121.223 -0.045 0.000 2.093 394 L HA -0.096 4.244 4.340 -0.001 0.000 0.208 394 L C 2.086 178.951 176.870 -0.009 0.000 1.085 394 L CA 1.447 56.278 54.840 -0.014 0.000 0.755 394 L CB -0.885 41.124 42.059 -0.084 0.000 0.904 394 L HN 0.361 nan 8.230 nan 0.000 0.435 395 N N -0.340 118.237 118.700 -0.206 0.000 2.188 395 N HA -0.164 4.576 4.740 -0.001 0.000 0.184 395 N C 1.346 176.793 175.510 -0.105 0.000 1.018 395 N CA 1.285 54.188 53.050 -0.245 0.000 0.858 395 N CB -0.100 38.126 38.487 -0.434 0.000 0.989 395 N HN 0.371 nan 8.380 nan 0.000 0.426 396 D N -0.268 120.108 120.400 -0.039 0.000 2.123 396 D HA -0.127 4.513 4.640 -0.001 0.000 0.200 396 D C 1.727 178.073 176.300 0.077 0.000 0.976 396 D CA 0.390 54.393 54.000 0.004 0.000 0.831 396 D CB -0.411 40.403 40.800 0.022 0.000 0.974 396 D HN 0.307 nan 8.370 nan 0.000 0.469 397 W N 2.028 123.314 121.300 -0.023 0.000 2.317 397 W HA -0.267 4.392 4.660 -0.001 0.000 0.318 397 W C 2.165 178.752 176.519 0.114 0.000 1.227 397 W CA 1.484 58.887 57.345 0.097 0.000 1.269 397 W CB -0.594 28.919 29.460 0.088 0.000 1.155 397 W HN -0.239 nan 8.180 nan 0.000 0.484 398 V N 1.178 121.112 119.914 0.033 0.000 2.255 398 V HA -0.360 3.759 4.120 -0.001 0.000 0.247 398 V C 2.178 178.146 176.094 -0.211 0.000 1.051 398 V CA 2.516 64.580 62.300 -0.393 0.000 1.018 398 V CB -1.008 30.548 31.823 -0.444 0.000 0.641 398 V HN 0.132 nan 8.190 nan 0.000 0.445 399 D N -0.453 119.866 120.400 -0.135 0.000 2.149 399 D HA -0.159 4.480 4.640 -0.001 0.000 0.198 399 D C 2.394 178.609 176.300 -0.142 0.000 0.990 399 D CA 1.207 55.144 54.000 -0.107 0.000 0.839 399 D CB -0.218 40.529 40.800 -0.089 0.000 0.948 399 D HN 0.438 nan 8.370 nan 0.000 0.460 400 R N -0.851 119.516 120.500 -0.222 0.000 2.092 400 R HA -0.094 4.246 4.340 -0.001 0.000 0.231 400 R C 1.550 177.464 176.300 -0.643 0.000 1.119 400 R CA 1.005 56.825 56.100 -0.467 0.000 0.970 400 R CB -0.037 29.875 30.300 -0.647 0.000 0.864 400 R HN 0.348 nan 8.270 nan 0.000 0.440 401 Y N -2.660 117.530 120.300 -0.184 0.000 2.467 401 Y HA 0.198 4.747 4.550 -0.001 0.000 0.259 401 Y C 0.022 175.836 175.900 -0.142 0.000 1.084 401 Y CA -0.706 57.273 58.100 -0.201 0.000 1.275 401 Y CB 0.357 38.584 38.460 -0.389 0.000 1.208 401 Y HN -0.156 nan 8.280 nan 0.000 0.511 402 Y N 1.972 122.180 120.300 -0.154 0.000 2.304 402 Y HA 0.370 4.920 4.550 -0.001 0.000 0.327 402 Y C 0.579 176.430 175.900 -0.081 0.000 1.209 402 Y CA -1.197 56.832 58.100 -0.119 0.000 1.299 402 Y CB 0.477 38.867 38.460 -0.116 0.000 1.249 402 Y HN -0.143 nan 8.280 nan 0.000 0.519 403 R N 1.004 121.529 120.500 0.042 0.000 2.573 403 R HA 0.209 4.548 4.340 -0.001 0.000 0.272 403 R C -0.134 176.201 176.300 0.059 0.000 1.009 403 R CA -0.527 55.586 56.100 0.021 0.000 1.059 403 R CB 0.715 31.002 30.300 -0.021 0.000 1.112 403 R HN 0.737 nan 8.270 nan 0.000 0.517 404 D N -0.222 120.204 120.400 0.043 0.000 2.340 404 D HA 0.061 4.701 4.640 -0.001 0.000 0.217 404 D C -0.201 176.132 176.300 0.055 0.000 1.081 404 D CA -0.029 54.004 54.000 0.056 0.000 0.842 404 D CB 0.445 41.269 40.800 0.040 0.000 0.934 404 D HN 0.100 nan 8.370 nan 0.000 0.511 405 R N -0.240 120.283 120.500 0.039 0.000 2.535 405 R HA 0.594 4.934 4.340 -0.001 0.000 0.274 405 R C -2.125 174.183 176.300 0.013 0.000 1.090 405 R CA -0.912 55.210 56.100 0.036 0.000 0.930 405 R CB 1.938 32.257 30.300 0.032 0.000 1.223 405 R HN 0.062 nan 8.270 nan 0.000 0.441 406 L N 1.160 122.389 121.223 0.011 0.000 2.506 406 L HA 0.631 4.971 4.340 -0.001 0.000 0.257 406 L C -1.213 175.655 176.870 -0.002 0.000 0.964 406 L CA -0.069 54.758 54.840 -0.021 0.000 0.836 406 L CB 2.628 44.653 42.059 -0.057 0.000 1.384 406 L HN 0.818 nan 8.230 nan 0.000 0.410 407 T N 0.515 115.061 114.554 -0.012 0.000 2.896 407 T HA 0.697 5.047 4.350 -0.001 0.000 0.297 407 T C 0.847 175.534 174.700 -0.021 0.000 1.108 407 T CA -0.157 61.965 62.100 0.037 0.000 1.004 407 T CB 1.599 70.502 68.868 0.058 0.000 1.159 407 T HN 0.888 nan 8.240 nan 0.000 0.499 408 A N 1.448 124.303 122.820 0.059 0.000 1.958 408 A HA 0.087 4.406 4.320 -0.001 0.000 0.221 408 A C 2.569 180.128 177.584 -0.042 0.000 1.178 408 A CA 2.409 54.437 52.037 -0.015 0.000 0.642 408 A CB -1.542 17.631 19.000 0.289 0.000 0.816 408 A HN 1.512 nan 8.150 nan 0.000 0.453 409 A N -0.152 122.666 122.820 -0.004 0.000 2.024 409 A HA -0.204 4.115 4.320 -0.001 0.000 0.220 409 A C 1.601 179.152 177.584 -0.054 0.000 1.164 409 A CA 1.819 53.837 52.037 -0.031 0.000 0.643 409 A CB -0.495 18.491 19.000 -0.022 0.000 0.806 409 A HN 0.535 nan 8.150 nan 0.000 0.451 410 D N -0.141 120.219 120.400 -0.066 0.000 2.347 410 D HA 0.006 4.645 4.640 -0.001 0.000 0.215 410 D C 1.647 177.887 176.300 -0.100 0.000 0.976 410 D CA 0.383 54.337 54.000 -0.076 0.000 0.884 410 D CB -0.187 40.568 40.800 -0.074 0.000 0.915 410 D HN 0.488 nan 8.370 nan 0.000 0.526 411 L N 0.638 121.783 121.223 -0.129 0.000 2.353 411 L HA -0.104 4.235 4.340 -0.001 0.000 0.220 411 L C 2.223 179.035 176.870 -0.097 0.000 1.133 411 L CA 0.656 55.413 54.840 -0.139 0.000 0.798 411 L CB -0.280 41.670 42.059 -0.181 0.000 0.922 411 L HN -0.020 nan 8.230 nan 0.000 0.445 412 A N -1.321 121.450 122.820 -0.081 0.000 2.195 412 A HA -0.058 4.262 4.320 -0.001 0.000 0.210 412 A C 0.717 178.262 177.584 -0.066 0.000 1.165 412 A CA -0.131 51.864 52.037 -0.071 0.000 0.806 412 A CB -0.259 18.701 19.000 -0.067 0.000 0.847 412 A HN 0.279 nan 8.150 nan 0.000 0.482 413 D N 1.194 121.553 120.400 -0.067 0.000 2.426 413 D HA 0.047 4.687 4.640 -0.001 0.000 0.261 413 D C -1.020 175.242 176.300 -0.063 0.000 1.245 413 D CA -1.605 52.359 54.000 -0.061 0.000 0.917 413 D CB 0.920 41.683 40.800 -0.062 0.000 1.123 413 D HN 0.151 nan 8.370 nan 0.000 0.508 414 P HA -0.228 nan 4.420 nan 0.000 0.219 414 P C 1.142 178.408 177.300 -0.056 0.000 1.146 414 P CA 0.945 64.014 63.100 -0.052 0.000 0.808 414 P CB 0.393 32.069 31.700 -0.040 0.000 0.779 415 Q N 0.111 119.879 119.800 -0.053 0.000 2.167 415 Q HA -0.106 4.234 4.340 -0.001 0.000 0.202 415 Q C 2.086 178.045 176.000 -0.069 0.000 0.970 415 Q CA 0.982 56.754 55.803 -0.052 0.000 0.855 415 Q CB -1.340 27.372 28.738 -0.044 0.000 0.911 415 Q HN 0.149 nan 8.270 nan 0.000 0.438 416 L N -0.290 120.884 121.223 -0.082 0.000 2.093 416 L HA -0.053 4.287 4.340 -0.001 0.000 0.208 416 L C 2.015 178.809 176.870 -0.127 0.000 1.085 416 L CA 1.387 56.163 54.840 -0.107 0.000 0.755 416 L CB -0.647 41.345 42.059 -0.111 0.000 0.904 416 L HN 0.432 nan 8.230 nan 0.000 0.435 417 L N -0.392 120.763 121.223 -0.114 0.000 2.056 417 L HA -0.171 4.169 4.340 -0.001 0.000 0.207 417 L C 2.715 179.491 176.870 -0.157 0.000 1.078 417 L CA 1.920 56.680 54.840 -0.132 0.000 0.749 417 L CB -0.630 41.367 42.059 -0.103 0.000 0.901 417 L HN 0.318 nan 8.230 nan 0.000 0.433 418 R N -0.416 120.015 120.500 -0.115 0.000 2.073 418 R HA -0.170 4.169 4.340 -0.001 0.000 0.234 418 R C 2.185 178.421 176.300 -0.107 0.000 1.134 418 R CA 1.853 57.894 56.100 -0.099 0.000 0.952 418 R CB -0.284 29.985 30.300 -0.053 0.000 0.850 418 R HN 0.515 nan 8.270 nan 0.000 0.433 419 E N -0.835 119.312 120.200 -0.089 0.000 2.085 419 E HA -0.163 4.186 4.350 -0.001 0.000 0.194 419 E C 1.892 178.370 176.600 -0.203 0.000 0.994 419 E CA 1.228 57.592 56.400 -0.060 0.000 0.801 419 E CB -0.228 29.445 29.700 -0.044 0.000 0.743 419 E HN 0.618 nan 8.360 nan 0.000 0.453 420 G N 1.192 109.843 108.800 -0.249 0.000 2.402 420 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.216 420 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.216 420 G C 1.580 176.249 174.900 -0.385 0.000 1.162 420 G CA 0.277 45.183 45.100 -0.322 0.000 0.777 420 G HN 0.014 nan 8.290 nan 0.000 0.539 421 R N 0.563 120.804 120.500 -0.433 0.000 2.073 421 R HA -0.041 4.298 4.340 -0.001 0.000 0.234 421 R C 2.335 178.469 176.300 -0.276 0.000 1.134 421 R CA 1.393 57.108 56.100 -0.642 0.000 0.952 421 R CB -1.012 28.933 30.300 -0.592 0.000 0.850 421 R HN 0.635 nan 8.270 nan 0.000 0.433 422 E N 0.585 120.671 120.200 -0.190 0.000 2.077 422 E HA -0.147 4.203 4.350 -0.001 0.000 0.193 422 E C 1.873 178.305 176.600 -0.279 0.000 0.989 422 E CA 1.226 57.562 56.400 -0.106 0.000 0.800 422 E CB -0.025 29.667 29.700 -0.014 0.000 0.746 422 E HN 0.285 nan 8.360 nan 0.000 0.452 423 A N 1.115 123.540 122.820 -0.659 0.000 1.908 423 A HA -0.160 4.159 4.320 -0.001 0.000 0.218 423 A C 2.223 179.877 177.584 0.117 0.000 1.181 423 A CA 1.282 52.826 52.037 -0.823 0.000 0.627 423 A CB -0.676 17.717 19.000 -1.011 0.000 0.818 423 A HN 0.345 nan 8.150 nan 0.000 0.445 424 L N -0.846 120.418 121.223 0.069 0.000 2.217 424 L HA -0.134 4.206 4.340 -0.001 0.000 0.211 424 L C 2.250 179.296 176.870 0.294 0.000 1.107 424 L CA 1.214 56.158 54.840 0.174 0.000 0.783 424 L CB -0.473 41.511 42.059 -0.125 0.000 0.919 424 L HN 0.348 nan 8.230 nan 0.000 0.442 425 D N -0.057 120.524 120.400 0.302 0.000 2.117 425 D HA -0.142 4.498 4.640 -0.001 0.000 0.197 425 D C 2.187 178.598 176.300 0.186 0.000 0.987 425 D CA 1.075 55.240 54.000 0.276 0.000 0.829 425 D CB 0.200 41.154 40.800 0.257 0.000 0.961 425 D HN 0.023 nan 8.370 nan 0.000 0.460 426 V N 0.657 120.686 119.914 0.192 0.000 2.358 426 V HA -0.176 3.943 4.120 -0.001 0.000 0.246 426 V C 2.546 178.711 176.094 0.118 0.000 1.047 426 V CA 1.000 63.422 62.300 0.203 0.000 1.035 426 V CB -0.391 31.636 31.823 0.340 0.000 0.658 426 V HN 0.194 nan 8.190 nan 0.000 0.452 427 L N 1.210 122.482 121.223 0.081 0.000 2.042 427 L HA -0.174 4.166 4.340 -0.001 0.000 0.210 427 L C 2.780 179.601 176.870 -0.083 0.000 1.076 427 L CA 2.503 57.199 54.840 -0.240 0.000 0.749 427 L CB -0.784 41.016 42.059 -0.432 0.000 0.893 427 L HN 0.531 nan 8.230 nan 0.000 0.432 428 S N -1.565 114.175 115.700 0.067 0.000 2.400 428 S HA -0.291 4.179 4.470 -0.001 0.000 0.232 428 S C 1.853 176.449 174.600 -0.005 0.000 1.025 428 S CA 1.523 59.752 58.200 0.050 0.000 0.993 428 S CB -0.605 62.658 63.200 0.104 0.000 0.808 428 S HN 0.686 nan 8.310 nan 0.000 0.478 429 Q N 0.193 119.999 119.800 0.010 0.000 2.062 429 Q HA 0.149 4.488 4.340 -0.001 0.000 0.196 429 Q C 2.273 178.259 176.000 -0.022 0.000 0.967 429 Q CA 1.128 56.932 55.803 0.002 0.000 0.832 429 Q CB -0.369 28.388 28.738 0.032 0.000 0.899 429 Q HN 0.509 nan 8.270 nan 0.000 0.442 430 L N 0.629 121.826 121.223 -0.043 0.000 2.042 430 L HA -0.142 4.197 4.340 -0.001 0.000 0.210 430 L C 1.572 178.390 176.870 -0.086 0.000 1.076 430 L CA 1.789 56.587 54.840 -0.070 0.000 0.749 430 L CB -0.195 41.786 42.059 -0.129 0.000 0.893 430 L HN 0.185 nan 8.230 nan 0.000 0.432 431 L N -0.363 120.797 121.223 -0.105 0.000 2.611 431 L HA 0.138 4.478 4.340 -0.001 0.000 0.229 431 L C 0.585 177.407 176.870 -0.079 0.000 1.137 431 L CA 0.162 54.942 54.840 -0.100 0.000 0.901 431 L CB -0.729 41.259 42.059 -0.118 0.000 1.098 431 L HN 0.454 nan 8.230 nan 0.000 0.456 432 N N 1.054 119.717 118.700 -0.063 0.000 2.667 432 N HA -0.227 4.513 4.740 -0.001 0.000 0.263 432 N C 0.214 175.683 175.510 -0.069 0.000 1.038 432 N CA 0.443 53.461 53.050 -0.054 0.000 0.749 432 N CB -0.869 37.590 38.487 -0.047 0.000 0.892 432 N HN 0.380 nan 8.380 nan 0.000 0.546 433 L N -0.353 120.822 121.223 -0.080 0.000 2.664 433 L HA 0.373 4.712 4.340 -0.001 0.000 0.233 433 L C 1.744 178.545 176.870 -0.115 0.000 1.113 433 L CA 0.211 54.984 54.840 -0.112 0.000 0.896 433 L CB -0.321 41.648 42.059 -0.149 0.000 1.163 433 L HN 0.613 nan 8.230 nan 0.000 0.497 434 G N 0.392 109.142 108.800 -0.084 0.000 2.645 434 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.239 434 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.239 434 G C -0.014 174.824 174.900 -0.104 0.000 1.331 434 G CA -0.192 44.861 45.100 -0.079 0.000 0.890 434 G HN 0.110 nan 8.290 nan 0.000 0.572 435 S N 0.170 115.805 115.700 -0.108 0.000 4.139 435 S HA 0.304 4.773 4.470 -0.001 0.000 0.215 435 S C 1.302 175.793 174.600 -0.181 0.000 1.390 435 S CA 0.434 58.550 58.200 -0.140 0.000 0.885 435 S CB 0.825 63.953 63.200 -0.120 0.000 1.560 435 S HN 1.296 nan 8.310 nan 0.000 0.449 436 V N 2.583 122.333 119.914 -0.274 0.000 3.406 436 V HA 0.182 4.302 4.120 -0.001 0.000 0.263 436 V C -0.266 175.557 176.094 -0.451 0.000 1.172 436 V CA 0.715 62.786 62.300 -0.381 0.000 1.140 436 V CB -0.191 31.331 31.823 -0.501 0.000 0.784 436 V HN 0.656 nan 8.190 nan 0.000 0.467 437 Y N 0.265 120.484 120.300 -0.135 0.000 2.320 437 Y HA 0.363 4.913 4.550 -0.001 0.000 0.324 437 Y C -1.152 174.699 175.900 -0.082 0.000 1.190 437 Y CA -2.044 56.014 58.100 -0.071 0.000 1.215 437 Y CB 0.735 39.216 38.460 0.035 0.000 1.221 437 Y HN 0.001 nan 8.280 nan 0.000 0.486 438 P HA -0.227 nan 4.420 nan 0.000 0.215 438 P C 1.297 178.700 177.300 0.172 0.000 1.153 438 P CA 1.613 64.853 63.100 0.233 0.000 0.853 438 P CB -0.084 31.863 31.700 0.412 0.000 0.788 439 F N -0.299 119.759 119.950 0.180 0.000 2.546 439 F HA -0.038 4.489 4.527 -0.001 0.000 0.298 439 F C 1.555 177.411 175.800 0.094 0.000 1.120 439 F CA 0.853 58.916 58.000 0.106 0.000 1.456 439 F CB -1.305 37.746 39.000 0.085 0.000 1.088 439 F HN -0.064 nan 8.300 nan 0.000 0.572 440 Q N 0.411 119.787 119.800 -0.707 0.000 2.408 440 Q HA 0.174 4.513 4.340 -0.001 0.000 0.205 440 Q C 0.652 176.525 176.000 -0.213 0.000 0.919 440 Q CA 0.079 55.542 55.803 -0.567 0.000 0.932 440 Q CB 0.253 28.628 28.738 -0.606 0.000 1.058 440 Q HN 0.443 nan 8.270 nan 0.000 0.517 441 R N 0.000 120.427 120.500 -0.122 0.000 2.786 441 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 441 R CA 0.000 56.067 56.100 -0.055 0.000 0.921 441 R CB 0.000 30.283 30.300 -0.029 0.000 0.687 441 R HN 0.000 nan 8.270 nan 0.000 0.535