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 1yni_1_D DATA FIRST_RESID 2 DATA SEQUENCE NAWEVNFDGL VGLTHHYAGL SFGNEASTRH RFQVSNPRLA AKQGLLKMKA DATA SEQUENCE LADAGFPQAV IPPHERPFIP VLRQLGFSGS DEQVLEKVAR QAPHWLSSVS DATA SEQUENCE SASPMWVANA ATIAPSADTL DGKVHLTVAN LNNKFHRSLE APVTESLLKA DATA SEQUENCE IFNDEEKFSV HSALPQVALL GDEGAANHNR LGGHYGEPGM QLFVYGREEG DATA SEQUENCE NDTRPSRYPA RQTREASEAV ARLNQVNPQQ VIFAQQNPDV IDQGVFHNDV DATA SEQUENCE IAVSNRQVLF CHQQAFARQS QLLANLRARV NGFMAIEVPA TQVSVSDTVS DATA SEQUENCE TYLFNSQLLS RDDGSMMLVL PQECREHAGV WGYLNELLAA DNPISELKVF DATA SEQUENCE DLRESMANGG GPASLRLRVV LTEEERRAVN PAVMMNDTLF NALNDWVDRY DATA SEQUENCE YRDRLTAADL ADPQLLREGR EALDVLSQLL NLGSVYPFQR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.538 175.510 0.047 0.000 1.280 2 N CA 0.000 53.095 53.050 0.075 0.000 0.885 2 N CB 0.000 38.516 38.487 0.049 0.000 1.341 3 A N 0.578 123.483 122.820 0.143 0.000 2.313 3 A HA 0.992 5.312 4.320 -0.000 0.000 0.323 3 A C -1.087 176.734 177.584 0.394 0.000 1.133 3 A CA -0.582 51.532 52.037 0.127 0.000 0.847 3 A CB 0.937 20.026 19.000 0.149 0.000 1.308 3 A HN 0.670 nan 8.150 nan 0.000 0.475 4 W N -0.120 121.265 121.300 0.143 0.000 2.706 4 W HA 0.529 5.189 4.660 0.000 0.000 0.346 4 W C 0.078 176.555 176.519 -0.070 0.000 1.071 4 W CA -1.015 56.394 57.345 0.106 0.000 1.206 4 W CB 0.963 30.475 29.460 0.087 0.000 1.413 4 W HN 0.820 nan 8.180 nan 0.000 0.542 5 E N 1.391 121.508 120.200 -0.139 0.000 2.194 5 E HA 0.408 4.758 4.350 -0.000 0.000 0.284 5 E C -1.158 175.433 176.600 -0.016 0.000 1.035 5 E CA -0.163 56.037 56.400 -0.333 0.000 0.836 5 E CB 0.979 30.132 29.700 -0.912 0.000 1.070 5 E HN 0.170 nan 8.360 nan 0.000 0.401 6 V N 5.279 125.256 119.914 0.105 0.000 2.398 6 V HA 0.233 4.353 4.120 -0.000 0.000 0.286 6 V C -0.101 176.074 176.094 0.136 0.000 1.026 6 V CA -1.086 61.287 62.300 0.123 0.000 0.868 6 V CB 1.445 33.375 31.823 0.178 0.000 0.982 6 V HN 0.664 nan 8.190 nan 0.000 0.443 7 N N 3.765 122.477 118.700 0.020 0.000 2.444 7 N HA 0.437 5.177 4.740 -0.000 0.000 0.271 7 N C -1.058 174.440 175.510 -0.021 0.000 1.069 7 N CA -0.060 53.022 53.050 0.054 0.000 0.965 7 N CB 1.198 39.682 38.487 -0.005 0.000 1.092 7 N HN 0.470 nan 8.380 nan 0.000 0.476 8 F N 1.118 121.091 119.950 0.038 0.000 2.375 8 F HA 0.261 4.788 4.527 -0.000 0.000 0.361 8 F C 0.461 176.275 175.800 0.024 0.000 1.117 8 F CA -0.812 57.209 58.000 0.036 0.000 1.037 8 F CB 1.052 40.097 39.000 0.075 0.000 1.192 8 F HN 0.228 nan 8.300 nan 0.000 0.452 9 D N 1.334 121.809 120.400 0.125 0.000 2.229 9 D HA 0.464 5.104 4.640 -0.000 0.000 0.249 9 D C 0.237 176.580 176.300 0.072 0.000 1.027 9 D CA -0.196 53.849 54.000 0.076 0.000 0.923 9 D CB 1.498 42.304 40.800 0.011 0.000 1.174 9 D HN 0.615 nan 8.370 nan 0.000 0.443 10 G N 0.711 109.536 108.800 0.041 0.000 2.353 10 G HA2 0.394 4.354 3.960 -0.000 0.000 0.284 10 G HA3 0.394 4.354 3.960 -0.000 0.000 0.284 10 G C -0.656 174.235 174.900 -0.016 0.000 1.172 10 G CA -0.433 44.672 45.100 0.007 0.000 0.854 10 G HN 0.363 nan 8.290 nan 0.000 0.485 11 L N 4.621 125.853 121.223 0.015 0.000 2.325 11 L HA 0.294 4.634 4.340 -0.000 0.000 0.284 11 L C 0.484 177.387 176.870 0.055 0.000 1.089 11 L CA -0.279 54.585 54.840 0.040 0.000 0.836 11 L CB 0.826 42.924 42.059 0.064 0.000 1.184 11 L HN 0.289 nan 8.230 nan 0.000 0.444 12 V N 5.767 125.684 119.914 0.005 0.000 2.644 12 V HA 0.127 4.247 4.120 -0.000 0.000 0.305 12 V C 1.404 177.622 176.094 0.206 0.000 1.053 12 V CA 0.517 62.810 62.300 -0.012 0.000 1.186 12 V CB -0.225 31.537 31.823 -0.101 0.000 0.895 12 V HN 0.959 nan 8.190 nan 0.000 0.490 13 G N 3.652 112.520 108.800 0.113 0.000 2.572 13 G HA2 0.382 4.342 3.960 -0.000 0.000 0.261 13 G HA3 0.382 4.342 3.960 -0.000 0.000 0.261 13 G C 0.530 175.432 174.900 0.004 0.000 1.197 13 G CA -0.811 44.365 45.100 0.126 0.000 0.870 13 G HN 0.669 nan 8.290 nan 0.000 0.548 14 L N 0.500 121.494 121.223 -0.381 0.000 2.456 14 L HA 0.071 4.410 4.340 -0.000 0.000 0.224 14 L C 2.671 179.370 176.870 -0.286 0.000 1.148 14 L CA 1.733 56.137 54.840 -0.728 0.000 0.825 14 L CB -0.803 40.708 42.059 -0.913 0.000 0.937 14 L HN 0.663 nan 8.230 nan 0.000 0.450 15 T N -5.166 109.312 114.554 -0.127 0.000 3.145 15 T HA 0.080 4.430 4.350 -0.000 0.000 0.255 15 T C 0.676 175.445 174.700 0.114 0.000 1.039 15 T CA -0.453 61.624 62.100 -0.039 0.000 0.928 15 T CB -0.923 67.925 68.868 -0.033 0.000 1.029 15 T HN 0.304 nan 8.240 nan 0.000 0.554 16 H N 3.752 122.810 119.070 -0.020 0.000 3.192 16 H HA 0.170 4.726 4.556 -0.000 0.000 0.295 16 H C 0.364 175.657 175.328 -0.057 0.000 0.943 16 H CA 0.730 56.735 56.048 -0.072 0.000 1.416 16 H CB -0.159 29.544 29.762 -0.098 0.000 1.434 16 H HN 0.643 nan 8.280 nan 0.000 0.565 17 H N 2.975 121.589 119.070 -0.760 0.000 2.948 17 H HA 0.182 4.738 4.556 -0.000 0.000 0.315 17 H C -1.672 173.207 175.328 -0.748 0.000 1.360 17 H CA -1.056 54.548 56.048 -0.740 0.000 1.125 17 H CB 0.183 29.783 29.762 -0.270 0.000 1.844 17 H HN 0.587 nan 8.280 nan 0.000 0.529 18 Y N 0.233 120.456 120.300 -0.129 0.000 2.342 18 Y HA 0.585 5.135 4.550 -0.000 0.000 0.338 18 Y C 0.621 176.508 175.900 -0.021 0.000 0.965 18 Y CA -0.215 57.823 58.100 -0.105 0.000 1.159 18 Y CB 1.896 40.358 38.460 0.004 0.000 1.157 18 Y HN 0.830 nan 8.280 nan 0.000 0.486 19 A N 2.226 125.013 122.820 -0.054 0.000 2.508 19 A HA 0.451 4.771 4.320 -0.000 0.000 0.250 19 A C 1.443 178.873 177.584 -0.256 0.000 1.208 19 A CA 0.122 52.099 52.037 -0.100 0.000 0.960 19 A CB -0.389 18.627 19.000 0.027 0.000 1.099 19 A HN 1.183 nan 8.150 nan 0.000 0.542 20 G N 0.313 109.000 108.800 -0.189 0.000 2.366 20 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.299 20 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.299 20 G C 0.568 175.378 174.900 -0.150 0.000 1.020 20 G CA 0.699 45.697 45.100 -0.171 0.000 1.026 20 G HN 0.554 nan 8.290 nan 0.000 0.512 21 L N -0.469 120.644 121.223 -0.185 0.000 2.509 21 L HA 0.171 4.511 4.340 -0.000 0.000 0.222 21 L C 1.201 178.049 176.870 -0.036 0.000 1.123 21 L CA 0.686 55.417 54.840 -0.181 0.000 0.856 21 L CB 0.296 42.032 42.059 -0.538 0.000 0.985 21 L HN 0.262 nan 8.230 nan 0.000 0.456 22 S N 0.631 116.297 115.700 -0.057 0.000 2.475 22 S HA 0.258 4.728 4.470 -0.000 0.000 0.249 22 S C -0.354 174.174 174.600 -0.119 0.000 1.298 22 S CA -0.547 57.614 58.200 -0.064 0.000 1.125 22 S CB 0.030 63.105 63.200 -0.209 0.000 1.054 22 S HN 0.076 nan 8.310 nan 0.000 0.484 23 F N 2.875 122.728 119.950 -0.161 0.000 2.578 23 F HA 0.460 4.987 4.527 -0.000 0.000 0.376 23 F C 1.312 176.916 175.800 -0.328 0.000 1.085 23 F CA 1.108 58.994 58.000 -0.191 0.000 1.260 23 F CB 0.041 39.003 39.000 -0.064 0.000 1.095 23 F HN 0.701 nan 8.300 nan 0.000 0.573 24 G N 3.904 111.945 108.800 -1.265 0.000 2.259 24 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.217 24 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.217 24 G C -0.084 174.295 174.900 -0.868 0.000 1.001 24 G CA 0.025 44.258 45.100 -1.445 0.000 0.627 24 G HN 0.858 nan 8.290 nan 0.000 0.501 25 N N 1.525 119.806 118.700 -0.699 0.000 2.609 25 N HA 0.386 5.126 4.740 -0.000 0.000 0.234 25 N C 1.225 176.565 175.510 -0.283 0.000 1.001 25 N CA -0.004 52.722 53.050 -0.539 0.000 0.926 25 N CB 0.632 38.542 38.487 -0.961 0.000 1.130 25 N HN 0.494 nan 8.380 nan 0.000 0.510 26 E N 1.749 121.857 120.200 -0.154 0.000 2.160 26 E HA -0.201 4.149 4.350 -0.000 0.000 0.195 26 E C 1.336 177.933 176.600 -0.004 0.000 0.991 26 E CA 1.349 57.701 56.400 -0.080 0.000 0.810 26 E CB 0.063 29.764 29.700 0.001 0.000 0.742 26 E HN 0.713 nan 8.360 nan 0.000 0.466 27 A N 1.309 124.155 122.820 0.043 0.000 1.877 27 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 27 A C 2.327 180.001 177.584 0.150 0.000 1.186 27 A CA 1.816 53.920 52.037 0.112 0.000 0.620 27 A CB -0.680 18.326 19.000 0.010 0.000 0.822 27 A HN 0.244 nan 8.150 nan 0.000 0.443 28 S N -1.081 114.626 115.700 0.011 0.000 2.359 28 S HA -0.173 4.296 4.470 -0.000 0.000 0.224 28 S C 2.085 176.680 174.600 -0.008 0.000 1.035 28 S CA 2.394 60.592 58.200 -0.003 0.000 1.018 28 S CB -0.664 62.464 63.200 -0.121 0.000 0.876 28 S HN 0.593 nan 8.310 nan 0.000 0.448 29 T N 1.804 116.331 114.554 -0.046 0.000 2.777 29 T HA 0.002 4.352 4.350 -0.000 0.000 0.266 29 T C 1.927 176.590 174.700 -0.061 0.000 1.040 29 T CA 1.260 63.331 62.100 -0.049 0.000 1.141 29 T CB -0.211 68.639 68.868 -0.029 0.000 0.868 29 T HN 0.456 nan 8.240 nan 0.000 0.444 30 R N 0.001 120.462 120.500 -0.065 0.000 2.148 30 R HA -0.007 4.333 4.340 -0.000 0.000 0.227 30 R C 1.339 177.437 176.300 -0.336 0.000 1.103 30 R CA 1.028 57.017 56.100 -0.186 0.000 0.983 30 R CB -0.164 29.993 30.300 -0.238 0.000 0.874 30 R HN 0.507 nan 8.270 nan 0.000 0.451 31 H N -0.430 118.564 119.070 -0.128 0.000 2.505 31 H HA 0.243 4.799 4.556 -0.000 0.000 0.289 31 H C 0.952 176.198 175.328 -0.137 0.000 1.052 31 H CA -0.392 55.537 56.048 -0.198 0.000 1.156 31 H CB 0.218 29.742 29.762 -0.396 0.000 1.507 31 H HN 0.040 nan 8.280 nan 0.000 0.548 32 R N 0.087 120.546 120.500 -0.068 0.000 2.344 32 R HA -0.255 4.085 4.340 -0.000 0.000 0.210 32 R C 0.207 176.407 176.300 -0.167 0.000 1.089 32 R CA 2.259 58.237 56.100 -0.203 0.000 0.748 32 R CB -0.463 29.664 30.300 -0.289 0.000 0.934 32 R HN 0.247 nan 8.270 nan 0.000 0.364 33 F N 0.992 120.986 119.950 0.073 0.000 2.708 33 F HA 0.239 4.766 4.527 -0.000 0.000 0.300 33 F C 0.360 176.226 175.800 0.110 0.000 1.118 33 F CA -0.277 57.783 58.000 0.101 0.000 1.307 33 F CB -0.006 39.032 39.000 0.062 0.000 0.986 33 F HN 0.099 nan 8.300 nan 0.000 0.522 34 Q N 0.201 120.150 119.800 0.250 0.000 2.479 34 Q HA 0.175 4.514 4.340 -0.000 0.000 0.267 34 Q C 0.129 176.307 176.000 0.297 0.000 1.071 34 Q CA -0.082 55.825 55.803 0.173 0.000 0.935 34 Q CB 1.128 29.866 28.738 -0.000 0.000 1.295 34 Q HN -0.040 nan 8.270 nan 0.000 0.476 35 V N 1.875 121.918 119.914 0.216 0.000 2.686 35 V HA 0.115 4.235 4.120 -0.000 0.000 0.295 35 V C 0.315 176.599 176.094 0.316 0.000 1.055 35 V CA -0.035 62.394 62.300 0.215 0.000 1.050 35 V CB 1.113 33.013 31.823 0.129 0.000 0.984 35 V HN 0.904 nan 8.190 nan 0.000 0.482 36 S N 2.847 118.701 115.700 0.257 0.000 2.664 36 S HA 0.518 4.988 4.470 -0.000 0.000 0.304 36 S C -0.495 174.229 174.600 0.207 0.000 1.099 36 S CA -0.882 57.470 58.200 0.252 0.000 1.003 36 S CB 1.386 64.440 63.200 -0.243 0.000 1.092 36 S HN 0.748 nan 8.310 nan 0.000 0.525 37 N N 1.089 119.959 118.700 0.284 0.000 2.746 37 N HA 0.394 5.134 4.740 -0.000 0.000 0.250 37 N C -2.346 173.315 175.510 0.250 0.000 1.146 37 N CA -2.125 51.053 53.050 0.212 0.000 0.828 37 N CB 1.258 39.843 38.487 0.163 0.000 1.158 37 N HN 0.289 nan 8.380 nan 0.000 0.519 38 P HA -0.210 nan 4.420 nan 0.000 0.214 38 P C 1.234 178.708 177.300 0.290 0.000 1.163 38 P CA 1.091 64.360 63.100 0.281 0.000 0.889 38 P CB 0.236 32.050 31.700 0.189 0.000 0.790 39 R N -0.538 120.118 120.500 0.259 0.000 2.096 39 R HA -0.182 4.158 4.340 -0.000 0.000 0.240 39 R C 2.156 178.462 176.300 0.011 0.000 1.139 39 R CA 1.523 57.696 56.100 0.122 0.000 0.952 39 R CB -1.158 29.197 30.300 0.092 0.000 0.854 39 R HN 0.065 nan 8.270 nan 0.000 0.436 40 L N 0.640 121.890 121.223 0.046 0.000 2.046 40 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 40 L C 2.248 179.116 176.870 -0.003 0.000 1.077 40 L CA 2.148 57.004 54.840 0.026 0.000 0.747 40 L CB -0.829 41.265 42.059 0.058 0.000 0.896 40 L HN 0.269 nan 8.230 nan 0.000 0.432 41 A N -0.206 122.597 122.820 -0.029 0.000 1.873 41 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 41 A C 2.491 180.008 177.584 -0.111 0.000 1.193 41 A CA 2.464 54.413 52.037 -0.147 0.000 0.629 41 A CB -1.417 17.302 19.000 -0.470 0.000 0.826 41 A HN 0.609 nan 8.150 nan 0.000 0.447 42 A N -0.640 122.122 122.820 -0.096 0.000 1.883 42 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 42 A C 2.116 179.649 177.584 -0.084 0.000 1.186 42 A CA 1.988 53.955 52.037 -0.117 0.000 0.624 42 A CB -0.417 18.392 19.000 -0.318 0.000 0.822 42 A HN 0.396 nan 8.150 nan 0.000 0.444 43 K N -0.131 120.222 120.400 -0.080 0.000 2.026 43 K HA -0.174 4.146 4.320 -0.000 0.000 0.208 43 K C 2.185 178.806 176.600 0.035 0.000 1.048 43 K CA 1.741 58.012 56.287 -0.026 0.000 0.929 43 K CB -0.602 31.882 32.500 -0.027 0.000 0.713 43 K HN 0.725 nan 8.250 nan 0.000 0.439 44 Q N -0.429 119.386 119.800 0.026 0.000 2.030 44 Q HA -0.135 4.205 4.340 -0.000 0.000 0.204 44 Q C 2.242 178.268 176.000 0.044 0.000 0.986 44 Q CA 1.699 57.534 55.803 0.055 0.000 0.843 44 Q CB -0.453 28.311 28.738 0.043 0.000 0.904 44 Q HN 0.479 nan 8.270 nan 0.000 0.420 45 G N 0.861 109.665 108.800 0.006 0.000 2.418 45 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 45 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 45 G C 1.398 176.300 174.900 0.002 0.000 1.158 45 G CA 0.562 45.653 45.100 -0.016 0.000 0.771 45 G HN 0.175 nan 8.290 nan 0.000 0.545 46 L N -0.178 121.082 121.223 0.061 0.000 2.141 46 L HA 0.038 4.378 4.340 -0.000 0.000 0.209 46 L C 2.860 179.860 176.870 0.218 0.000 1.094 46 L CA 0.330 55.267 54.840 0.162 0.000 0.763 46 L CB -0.268 41.922 42.059 0.218 0.000 0.908 46 L HN 0.197 nan 8.230 nan 0.000 0.437 47 L N -0.303 121.037 121.223 0.196 0.000 2.056 47 L HA -0.233 4.107 4.340 -0.000 0.000 0.207 47 L C 2.734 179.638 176.870 0.056 0.000 1.078 47 L CA 1.305 56.252 54.840 0.179 0.000 0.749 47 L CB -0.458 41.732 42.059 0.218 0.000 0.901 47 L HN 0.244 nan 8.230 nan 0.000 0.433 48 K N 0.192 120.531 120.400 -0.101 0.000 2.057 48 K HA -0.189 4.131 4.320 -0.000 0.000 0.207 48 K C 2.179 178.553 176.600 -0.377 0.000 1.049 48 K CA 1.449 57.378 56.287 -0.597 0.000 0.931 48 K CB -0.031 32.040 32.500 -0.715 0.000 0.714 48 K HN 0.204 nan 8.250 nan 0.000 0.440 49 M N 0.528 120.011 119.600 -0.195 0.000 2.065 49 M HA -0.205 4.275 4.480 -0.000 0.000 0.259 49 M C 2.312 178.527 176.300 -0.140 0.000 1.071 49 M CA 1.685 56.904 55.300 -0.135 0.000 1.109 49 M CB -0.318 32.245 32.600 -0.061 0.000 1.313 49 M HN -0.040 nan 8.290 nan 0.000 0.408 50 K N 0.691 120.972 120.400 -0.198 0.000 2.063 50 K HA -0.075 4.245 4.320 -0.000 0.000 0.208 50 K C 1.823 178.296 176.600 -0.211 0.000 1.048 50 K CA 1.837 57.901 56.287 -0.371 0.000 0.928 50 K CB -0.602 31.297 32.500 -1.001 0.000 0.713 50 K HN 0.310 nan 8.250 nan 0.000 0.442 51 A N 0.619 123.393 122.820 -0.077 0.000 1.877 51 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 51 A C 2.227 179.879 177.584 0.113 0.000 1.186 51 A CA 1.722 53.810 52.037 0.086 0.000 0.620 51 A CB -0.754 18.484 19.000 0.397 0.000 0.822 51 A HN 0.309 nan 8.150 nan 0.000 0.443 52 L N -0.949 120.326 121.223 0.086 0.000 2.093 52 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 52 L C 3.104 180.074 176.870 0.166 0.000 1.085 52 L CA 0.982 55.921 54.840 0.165 0.000 0.755 52 L CB -0.744 41.325 42.059 0.017 0.000 0.904 52 L HN 0.475 nan 8.230 nan 0.000 0.435 53 A N 0.408 123.244 122.820 0.026 0.000 1.845 53 A HA -0.231 4.088 4.320 -0.000 0.000 0.215 53 A C 1.895 179.456 177.584 -0.038 0.000 1.195 53 A CA 2.008 54.033 52.037 -0.020 0.000 0.616 53 A CB -0.598 18.355 19.000 -0.078 0.000 0.832 53 A HN 0.358 nan 8.150 nan 0.000 0.443 54 D N 0.231 120.599 120.400 -0.053 0.000 2.221 54 D HA -0.046 4.594 4.640 -0.000 0.000 0.204 54 D C 1.856 178.127 176.300 -0.047 0.000 0.982 54 D CA 1.350 55.316 54.000 -0.058 0.000 0.857 54 D CB -0.383 40.377 40.800 -0.066 0.000 0.934 54 D HN 0.460 nan 8.370 nan 0.000 0.475 55 A N -0.230 122.592 122.820 0.002 0.000 2.235 55 A HA 0.359 4.679 4.320 -0.000 0.000 0.208 55 A C 1.785 179.218 177.584 -0.251 0.000 1.172 55 A CA 1.146 53.172 52.037 -0.017 0.000 0.786 55 A CB -0.231 18.889 19.000 0.200 0.000 0.804 55 A HN 0.276 nan 8.150 nan 0.000 0.479 56 G N -2.287 106.364 108.800 -0.248 0.000 2.144 56 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.218 56 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.218 56 G C -0.120 174.450 174.900 -0.549 0.000 0.988 56 G CA -0.067 44.787 45.100 -0.409 0.000 0.659 56 G HN 0.367 nan 8.290 nan 0.000 0.522 57 F N 1.415 121.290 119.950 -0.126 0.000 2.361 57 F HA 0.473 5.000 4.527 -0.001 0.000 0.364 57 F C -1.722 174.006 175.800 -0.120 0.000 1.120 57 F CA -2.389 55.534 58.000 -0.128 0.000 1.102 57 F CB 1.508 40.459 39.000 -0.081 0.000 1.183 57 F HN -0.178 nan 8.300 nan 0.000 0.476 58 P HA -0.129 nan 4.420 nan 0.000 0.257 58 P C -0.839 176.442 177.300 -0.031 0.000 1.153 58 P CA 0.547 63.659 63.100 0.019 0.000 0.762 58 P CB 0.380 32.151 31.700 0.118 0.000 0.743 59 Q N 2.777 122.517 119.800 -0.099 0.000 2.372 59 Q HA 0.765 5.105 4.340 -0.000 0.000 0.273 59 Q C -1.579 174.247 176.000 -0.289 0.000 1.078 59 Q CA -0.774 54.926 55.803 -0.170 0.000 0.806 59 Q CB 2.002 30.680 28.738 -0.100 0.000 1.332 59 Q HN 0.448 nan 8.270 nan 0.000 0.435 60 A N 2.036 124.592 122.820 -0.440 0.000 2.564 60 A HA 0.898 5.218 4.320 -0.000 0.000 0.288 60 A C -1.589 175.863 177.584 -0.220 0.000 1.164 60 A CA -0.339 51.403 52.037 -0.492 0.000 0.712 60 A CB 1.653 19.935 19.000 -1.196 0.000 1.303 60 A HN 0.825 nan 8.150 nan 0.000 0.418 61 V N 0.157 120.026 119.914 -0.076 0.000 2.914 61 V HA 0.778 4.898 4.120 -0.000 0.000 0.314 61 V C -1.440 174.720 176.094 0.110 0.000 1.084 61 V CA -0.768 61.550 62.300 0.028 0.000 0.963 61 V CB 1.659 33.476 31.823 -0.011 0.000 1.025 61 V HN 0.717 nan 8.190 nan 0.000 0.432 62 I N 7.394 128.031 120.570 0.112 0.000 2.418 62 I HA 0.463 4.632 4.170 -0.000 0.000 0.287 62 I C -2.358 173.806 176.117 0.078 0.000 1.008 62 I CA -1.971 59.391 61.300 0.104 0.000 1.104 62 I CB 2.605 40.681 38.000 0.128 0.000 1.264 62 I HN 0.555 nan 8.210 nan 0.000 0.438 63 P HA 0.222 nan 4.420 nan 0.000 0.272 63 P C -2.668 174.765 177.300 0.221 0.000 1.240 63 P CA -1.182 61.987 63.100 0.115 0.000 0.791 63 P CB 0.085 31.857 31.700 0.120 0.000 0.978 64 P HA 0.185 nan 4.420 nan 0.000 0.277 64 P C -0.179 177.355 177.300 0.389 0.000 1.276 64 P CA -0.005 63.226 63.100 0.219 0.000 0.788 64 P CB 0.778 32.588 31.700 0.183 0.000 1.114 65 H N -1.682 117.414 119.070 0.043 0.000 2.570 65 H HA 0.222 4.778 4.556 -0.000 0.000 0.342 65 H C 0.095 175.344 175.328 -0.131 0.000 1.245 65 H CA -0.847 55.213 56.048 0.021 0.000 1.318 65 H CB 1.100 30.836 29.762 -0.044 0.000 1.694 65 H HN 0.462 nan 8.280 nan 0.000 0.592 66 E N 1.842 122.029 120.200 -0.021 0.000 2.220 66 E HA 0.016 4.366 4.350 -0.000 0.000 0.272 66 E C -0.717 175.909 176.600 0.042 0.000 1.099 66 E CA -0.240 56.151 56.400 -0.015 0.000 0.907 66 E CB 0.200 30.044 29.700 0.241 0.000 1.022 66 E HN 0.282 nan 8.360 nan 0.000 0.428 67 R N 4.720 125.211 120.500 -0.014 0.000 2.564 67 R HA 0.358 4.698 4.340 -0.000 0.000 0.284 67 R C -2.672 173.598 176.300 -0.050 0.000 1.031 67 R CA -2.269 53.837 56.100 0.011 0.000 0.904 67 R CB 1.379 31.676 30.300 -0.004 0.000 1.199 67 R HN 0.453 nan 8.270 nan 0.000 0.443 68 P HA 0.079 nan 4.420 nan 0.000 0.269 68 P C -0.557 176.828 177.300 0.141 0.000 1.209 68 P CA -0.200 62.920 63.100 0.033 0.000 0.776 68 P CB 0.330 32.017 31.700 -0.021 0.000 0.876 69 F N 4.153 124.091 119.950 -0.021 0.000 2.384 69 F HA 0.176 4.703 4.527 -0.000 0.000 0.359 69 F C 1.043 176.843 175.800 -0.000 0.000 1.143 69 F CA -0.672 57.331 58.000 0.006 0.000 1.216 69 F CB -0.368 38.648 39.000 0.026 0.000 1.512 69 F HN 0.156 nan 8.300 nan 0.000 0.573 70 I N 5.941 126.430 120.570 -0.135 0.000 2.286 70 I HA -0.159 4.011 4.170 -0.000 0.000 0.248 70 I C -0.465 175.488 176.117 -0.272 0.000 1.115 70 I CA 0.831 62.031 61.300 -0.166 0.000 1.392 70 I CB -2.114 35.824 38.000 -0.103 0.000 1.065 70 I HN 0.326 nan 8.210 nan 0.000 0.418 71 P HA -0.128 nan 4.420 nan 0.000 0.216 71 P C 2.245 179.360 177.300 -0.308 0.000 1.153 71 P CA 1.211 64.041 63.100 -0.449 0.000 0.858 71 P CB 0.029 31.312 31.700 -0.695 0.000 0.789 72 V N -0.932 118.774 119.914 -0.347 0.000 2.515 72 V HA -0.192 3.928 4.120 -0.000 0.000 0.250 72 V C 2.362 178.432 176.094 -0.042 0.000 1.058 72 V CA 1.456 63.706 62.300 -0.083 0.000 1.064 72 V CB -1.126 30.740 31.823 0.072 0.000 0.675 72 V HN 0.096 nan 8.190 nan 0.000 0.461 73 L N -0.649 120.538 121.223 -0.060 0.000 2.093 73 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 73 L C 2.789 179.733 176.870 0.123 0.000 1.085 73 L CA 1.483 56.326 54.840 0.004 0.000 0.755 73 L CB -0.567 41.453 42.059 -0.066 0.000 0.904 73 L HN 0.239 nan 8.230 nan 0.000 0.435 74 R N -0.146 120.373 120.500 0.032 0.000 2.092 74 R HA -0.193 4.147 4.340 -0.000 0.000 0.231 74 R C 2.207 178.513 176.300 0.010 0.000 1.119 74 R CA 1.255 57.378 56.100 0.039 0.000 0.970 74 R CB -0.308 29.985 30.300 -0.013 0.000 0.864 74 R HN 0.438 nan 8.270 nan 0.000 0.440 75 Q N 1.076 120.867 119.800 -0.016 0.000 2.291 75 Q HA -0.088 4.252 4.340 -0.000 0.000 0.206 75 Q C 1.394 177.371 176.000 -0.038 0.000 0.976 75 Q CA 0.966 56.755 55.803 -0.024 0.000 0.875 75 Q CB 0.121 28.850 28.738 -0.015 0.000 0.927 75 Q HN 0.351 nan 8.270 nan 0.000 0.450 76 L N -0.773 120.437 121.223 -0.022 0.000 2.611 76 L HA 0.255 4.595 4.340 -0.000 0.000 0.229 76 L C 1.041 177.829 176.870 -0.137 0.000 1.137 76 L CA 0.468 55.267 54.840 -0.068 0.000 0.901 76 L CB 0.236 42.239 42.059 -0.094 0.000 1.098 76 L HN 0.532 nan 8.230 nan 0.000 0.456 77 G N -0.330 108.395 108.800 -0.125 0.000 2.176 77 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.232 77 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.232 77 G C 0.028 174.731 174.900 -0.329 0.000 0.986 77 G CA -0.554 44.393 45.100 -0.255 0.000 0.643 77 G HN 0.178 nan 8.290 nan 0.000 0.522 78 F N 2.786 122.722 119.950 -0.024 0.000 2.411 78 F HA 0.623 5.149 4.527 -0.000 0.000 0.355 78 F C 1.020 176.809 175.800 -0.019 0.000 1.117 78 F CA -0.098 57.896 58.000 -0.009 0.000 1.139 78 F CB 1.584 40.584 39.000 -0.000 0.000 1.120 78 F HN 0.264 nan 8.300 nan 0.000 0.493 79 S N 1.886 117.656 115.700 0.118 0.000 2.739 79 S HA 0.998 5.467 4.470 -0.000 0.000 0.306 79 S C 0.041 174.677 174.600 0.061 0.000 1.115 79 S CA -0.200 58.038 58.200 0.064 0.000 0.985 79 S CB 1.769 64.983 63.200 0.024 0.000 1.133 79 S HN 1.440 nan 8.310 nan 0.000 0.541 80 G N 0.573 109.394 108.800 0.035 0.000 2.422 80 G HA2 0.185 4.145 3.960 -0.000 0.000 0.607 80 G HA3 0.185 4.145 3.960 -0.000 0.000 0.607 80 G C -0.236 174.674 174.900 0.017 0.000 1.270 80 G CA -0.392 44.724 45.100 0.026 0.000 0.992 80 G HN 1.924 nan 8.290 nan 0.000 0.499 81 S N -0.106 115.601 115.700 0.012 0.000 2.596 81 S HA 0.391 4.861 4.470 -0.000 0.000 0.260 81 S C 1.087 175.686 174.600 -0.001 0.000 1.336 81 S CA 0.738 58.941 58.200 0.004 0.000 0.993 81 S CB 1.048 64.249 63.200 0.002 0.000 0.923 81 S HN 0.620 nan 8.310 nan 0.000 0.567 82 D N 1.214 121.608 120.400 -0.010 0.000 2.126 82 D HA -0.166 4.473 4.640 -0.000 0.000 0.190 82 D C 1.857 178.141 176.300 -0.026 0.000 1.001 82 D CA 1.948 55.934 54.000 -0.022 0.000 0.841 82 D CB -0.438 40.344 40.800 -0.030 0.000 0.949 82 D HN 0.797 nan 8.370 nan 0.000 0.446 83 E N 0.496 120.681 120.200 -0.024 0.000 2.153 83 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 83 E C 2.188 178.777 176.600 -0.018 0.000 0.988 83 E CA 0.598 56.982 56.400 -0.027 0.000 0.811 83 E CB -0.146 29.539 29.700 -0.024 0.000 0.746 83 E HN 0.463 nan 8.360 nan 0.000 0.466 84 Q N 0.410 120.207 119.800 -0.005 0.000 2.079 84 Q HA -0.102 4.238 4.340 -0.000 0.000 0.200 84 Q C 2.425 178.436 176.000 0.018 0.000 0.974 84 Q CA 1.148 56.957 55.803 0.009 0.000 0.840 84 Q CB 0.074 28.824 28.738 0.019 0.000 0.898 84 Q HN 0.151 nan 8.270 nan 0.000 0.430 85 V N 0.901 120.823 119.914 0.014 0.000 2.358 85 V HA -0.236 3.883 4.120 -0.000 0.000 0.246 85 V C 2.165 178.227 176.094 -0.053 0.000 1.047 85 V CA 1.185 63.496 62.300 0.018 0.000 1.035 85 V CB -0.491 31.340 31.823 0.013 0.000 0.658 85 V HN 0.267 nan 8.190 nan 0.000 0.452 86 L N 0.226 121.415 121.223 -0.057 0.000 2.012 86 L HA -0.197 4.142 4.340 -0.000 0.000 0.210 86 L C 2.464 179.289 176.870 -0.075 0.000 1.073 86 L CA 1.988 56.781 54.840 -0.079 0.000 0.748 86 L CB -0.700 41.320 42.059 -0.064 0.000 0.891 86 L HN 0.385 nan 8.230 nan 0.000 0.431 87 E N -0.794 119.381 120.200 -0.043 0.000 2.017 87 E HA -0.248 4.101 4.350 -0.000 0.000 0.193 87 E C 2.140 178.729 176.600 -0.018 0.000 0.997 87 E CA 1.480 57.863 56.400 -0.028 0.000 0.804 87 E CB -0.136 29.558 29.700 -0.010 0.000 0.757 87 E HN 0.483 nan 8.360 nan 0.000 0.448 88 K N 0.551 120.958 120.400 0.012 0.000 2.020 88 K HA -0.173 4.147 4.320 -0.000 0.000 0.212 88 K C 2.264 178.864 176.600 -0.000 0.000 1.050 88 K CA 1.602 57.933 56.287 0.073 0.000 0.929 88 K CB -0.360 32.258 32.500 0.197 0.000 0.714 88 K HN -0.002 nan 8.250 nan 0.000 0.443 89 V N 1.545 121.324 119.914 -0.224 0.000 2.343 89 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 89 V C 2.461 178.444 176.094 -0.186 0.000 1.051 89 V CA 2.031 64.051 62.300 -0.467 0.000 1.036 89 V CB -0.882 30.584 31.823 -0.596 0.000 0.654 89 V HN 0.398 nan 8.190 nan 0.000 0.451 90 A N 0.792 123.539 122.820 -0.121 0.000 1.917 90 A HA -0.271 4.049 4.320 -0.000 0.000 0.219 90 A C 2.338 179.900 177.584 -0.036 0.000 1.182 90 A CA 2.334 54.327 52.037 -0.073 0.000 0.633 90 A CB -0.429 18.532 19.000 -0.065 0.000 0.819 90 A HN 0.625 nan 8.150 nan 0.000 0.448 91 R N -0.817 119.676 120.500 -0.012 0.000 2.173 91 R HA 0.074 4.413 4.340 -0.000 0.000 0.208 91 R C 2.147 178.478 176.300 0.052 0.000 1.035 91 R CA 1.252 57.362 56.100 0.017 0.000 1.004 91 R CB -0.182 30.133 30.300 0.025 0.000 0.917 91 R HN 0.662 nan 8.270 nan 0.000 0.462 92 Q N -0.193 119.660 119.800 0.088 0.000 2.324 92 Q HA 0.285 4.625 4.340 -0.000 0.000 0.207 92 Q C 0.253 176.364 176.000 0.185 0.000 0.928 92 Q CA 0.779 56.683 55.803 0.170 0.000 0.890 92 Q CB 0.937 29.867 28.738 0.319 0.000 1.001 92 Q HN 0.263 nan 8.270 nan 0.000 0.517 93 A N 1.121 124.014 122.820 0.122 0.000 3.474 93 A HA 0.247 4.567 4.320 -0.000 0.000 0.251 93 A C -2.228 175.305 177.584 -0.085 0.000 1.062 93 A CA -0.817 51.270 52.037 0.084 0.000 0.945 93 A CB 0.384 19.526 19.000 0.236 0.000 1.296 93 A HN -0.052 nan 8.150 nan 0.000 0.592 94 P HA -0.248 nan 4.420 nan 0.000 0.222 94 P C 1.080 178.374 177.300 -0.009 0.000 1.142 94 P CA 1.899 64.980 63.100 -0.031 0.000 0.788 94 P CB -0.328 31.365 31.700 -0.011 0.000 0.767 95 H N -3.437 115.581 119.070 -0.088 0.000 2.462 95 H HA -0.032 4.523 4.556 -0.000 0.000 0.292 95 H C 2.016 177.363 175.328 0.032 0.000 1.049 95 H CA 0.699 56.697 56.048 -0.084 0.000 1.334 95 H CB -1.341 28.276 29.762 -0.241 0.000 1.404 95 H HN 0.173 nan 8.280 nan 0.000 0.544 96 W N 0.699 121.665 121.300 -0.556 0.000 2.388 96 W HA -0.013 4.647 4.660 -0.000 0.000 0.294 96 W C 2.096 178.530 176.519 -0.141 0.000 1.212 96 W CA 0.119 57.275 57.345 -0.316 0.000 1.271 96 W CB -0.006 29.246 29.460 -0.347 0.000 1.126 96 W HN 0.203 nan 8.180 nan 0.000 0.535 97 L N -0.223 121.048 121.223 0.081 0.000 2.043 97 L HA -0.303 4.037 4.340 -0.000 0.000 0.212 97 L C 2.655 179.554 176.870 0.049 0.000 1.075 97 L CA 1.464 56.313 54.840 0.015 0.000 0.752 97 L CB -0.624 41.406 42.059 -0.047 0.000 0.891 97 L HN -0.100 nan 8.230 nan 0.000 0.432 98 S N -1.243 114.516 115.700 0.098 0.000 2.383 98 S HA -0.151 4.318 4.470 -0.000 0.000 0.227 98 S C 2.018 176.739 174.600 0.203 0.000 1.026 98 S CA 1.410 59.722 58.200 0.187 0.000 0.981 98 S CB -0.026 63.341 63.200 0.277 0.000 0.818 98 S HN 0.488 nan 8.310 nan 0.000 0.472 99 S N 0.870 116.687 115.700 0.194 0.000 2.442 99 S HA -0.067 4.403 4.470 -0.000 0.000 0.236 99 S C 1.578 176.206 174.600 0.048 0.000 1.007 99 S CA 1.205 59.500 58.200 0.158 0.000 0.965 99 S CB -0.090 63.303 63.200 0.322 0.000 0.773 99 S HN 0.647 nan 8.310 nan 0.000 0.504 100 V N -2.214 117.748 119.914 0.081 0.000 3.427 100 V HA 0.430 4.549 4.120 -0.000 0.000 0.305 100 V C 0.559 176.718 176.094 0.109 0.000 1.412 100 V CA -0.014 62.335 62.300 0.082 0.000 1.086 100 V CB 0.398 32.275 31.823 0.090 0.000 0.964 100 V HN 0.215 nan 8.190 nan 0.000 0.439 101 S N 0.086 115.854 115.700 0.114 0.000 2.846 101 S HA 0.317 4.787 4.470 -0.000 0.000 0.249 101 S C 0.616 175.352 174.600 0.227 0.000 1.028 101 S CA 0.168 58.429 58.200 0.101 0.000 1.043 101 S CB 0.423 63.613 63.200 -0.016 0.000 0.990 101 S HN 0.562 nan 8.310 nan 0.000 0.564 102 S N 1.687 117.515 115.700 0.213 0.000 2.565 102 S HA 0.556 5.026 4.470 -0.000 0.000 0.274 102 S C 0.875 175.507 174.600 0.053 0.000 1.309 102 S CA -0.362 57.926 58.200 0.147 0.000 1.043 102 S CB 0.956 64.245 63.200 0.148 0.000 0.939 102 S HN 0.439 nan 8.310 nan 0.000 0.504 103 A N 3.494 126.303 122.820 -0.018 0.000 2.370 103 A HA 0.213 4.532 4.320 -0.000 0.000 0.238 103 A C 1.868 179.285 177.584 -0.277 0.000 1.289 103 A CA 0.471 52.444 52.037 -0.107 0.000 0.885 103 A CB -0.883 18.077 19.000 -0.067 0.000 0.961 103 A HN 1.065 nan 8.150 nan 0.000 0.499 104 S N 1.550 117.177 115.700 -0.122 0.000 2.392 104 S HA -0.132 4.338 4.470 -0.000 0.000 0.232 104 S C -0.202 174.316 174.600 -0.136 0.000 1.041 104 S CA 1.487 59.676 58.200 -0.018 0.000 1.026 104 S CB -1.569 61.871 63.200 0.399 0.000 0.845 104 S HN 0.538 nan 8.310 nan 0.000 0.465 105 P HA -0.139 nan 4.420 nan 0.000 0.226 105 P C 1.757 178.893 177.300 -0.273 0.000 1.146 105 P CA 1.167 64.071 63.100 -0.328 0.000 0.773 105 P CB -0.541 30.627 31.700 -0.887 0.000 0.772 106 M N -3.737 115.610 119.600 -0.422 0.000 2.267 106 M HA -0.075 4.405 4.480 -0.000 0.000 0.263 106 M C 0.593 176.683 176.300 -0.350 0.000 1.063 106 M CA 1.490 56.521 55.300 -0.448 0.000 1.090 106 M CB -0.926 31.258 32.600 -0.695 0.000 1.392 106 M HN -0.158 nan 8.290 nan 0.000 0.422 107 W N 3.707 125.028 121.300 0.035 0.000 1.664 107 W HA 0.331 4.991 4.660 -0.000 0.000 0.428 107 W C 1.311 177.856 176.519 0.044 0.000 0.726 107 W CA -0.687 56.697 57.345 0.065 0.000 1.774 107 W CB -0.675 28.854 29.460 0.115 0.000 1.801 107 W HN 0.179 nan 8.180 nan 0.000 0.243 108 V N 0.248 120.262 119.914 0.166 0.000 3.186 108 V HA -0.181 3.939 4.120 -0.000 0.000 0.270 108 V C 1.939 178.099 176.094 0.109 0.000 1.149 108 V CA 1.825 64.194 62.300 0.115 0.000 1.160 108 V CB -1.031 30.849 31.823 0.096 0.000 0.758 108 V HN 0.277 nan 8.190 nan 0.000 0.516 109 A N 1.062 123.966 122.820 0.140 0.000 2.125 109 A HA -0.100 4.219 4.320 -0.000 0.000 0.219 109 A C 1.799 179.396 177.584 0.021 0.000 1.156 109 A CA 1.884 53.969 52.037 0.079 0.000 0.671 109 A CB -0.833 18.219 19.000 0.087 0.000 0.794 109 A HN 0.713 nan 8.150 nan 0.000 0.459 110 N N -0.869 117.862 118.700 0.051 0.000 2.230 110 N HA 0.352 5.092 4.740 -0.000 0.000 0.202 110 N C 1.363 176.896 175.510 0.039 0.000 1.119 110 N CA 0.468 53.523 53.050 0.008 0.000 0.851 110 N CB 0.310 38.823 38.487 0.044 0.000 0.990 110 N HN 0.394 nan 8.380 nan 0.000 0.497 111 A N 0.457 123.303 122.820 0.044 0.000 1.898 111 A HA 0.456 4.776 4.320 -0.000 0.000 0.216 111 A C 1.042 178.634 177.584 0.014 0.000 1.181 111 A CA 1.484 53.544 52.037 0.038 0.000 0.620 111 A CB -0.013 19.010 19.000 0.038 0.000 0.819 111 A HN 0.314 nan 8.150 nan 0.000 0.442 112 A N -3.202 119.608 122.820 -0.016 0.000 2.536 112 A HA 0.607 4.927 4.320 -0.000 0.000 0.293 112 A C -0.722 176.818 177.584 -0.073 0.000 1.119 112 A CA -0.023 51.993 52.037 -0.036 0.000 0.654 112 A CB 0.108 19.068 19.000 -0.066 0.000 1.291 112 A HN 0.198 nan 8.150 nan 0.000 0.439 113 T N 1.575 116.075 114.554 -0.091 0.000 2.807 113 T HA 0.591 4.940 4.350 -0.000 0.000 0.279 113 T C -0.450 174.125 174.700 -0.208 0.000 0.993 113 T CA -0.271 61.706 62.100 -0.205 0.000 0.970 113 T CB 0.724 69.494 68.868 -0.163 0.000 0.950 113 T HN 0.442 nan 8.240 nan 0.000 0.441 114 I N 2.354 122.754 120.570 -0.284 0.000 2.437 114 I HA 0.685 4.855 4.170 -0.000 0.000 0.298 114 I C 0.193 176.246 176.117 -0.106 0.000 0.984 114 I CA -1.357 59.840 61.300 -0.172 0.000 1.214 114 I CB 1.171 39.090 38.000 -0.135 0.000 1.365 114 I HN 0.754 nan 8.210 nan 0.000 0.469 115 A N 8.230 131.055 122.820 0.008 0.000 2.466 115 A HA 0.696 5.015 4.320 -0.000 0.000 0.291 115 A C -2.602 175.048 177.584 0.110 0.000 1.234 115 A CA -1.320 50.767 52.037 0.083 0.000 0.752 115 A CB 0.798 19.860 19.000 0.103 0.000 1.153 115 A HN 0.456 nan 8.150 nan 0.000 0.458 116 P HA 0.040 nan 4.420 nan 0.000 0.269 116 P C 1.077 178.450 177.300 0.121 0.000 1.209 116 P CA 0.261 63.433 63.100 0.120 0.000 0.776 116 P CB 1.011 32.791 31.700 0.132 0.000 0.876 117 S N 2.164 117.932 115.700 0.113 0.000 2.441 117 S HA -0.225 4.245 4.470 -0.000 0.000 0.242 117 S C 1.822 176.471 174.600 0.081 0.000 1.018 117 S CA 1.253 59.511 58.200 0.095 0.000 0.988 117 S CB -1.219 62.015 63.200 0.056 0.000 0.778 117 S HN 0.586 nan 8.310 nan 0.000 0.498 118 A N 1.256 124.128 122.820 0.087 0.000 2.206 118 A HA 0.062 4.382 4.320 -0.000 0.000 0.211 118 A C 1.347 178.975 177.584 0.073 0.000 1.158 118 A CA 0.991 53.075 52.037 0.078 0.000 0.761 118 A CB -0.128 18.927 19.000 0.092 0.000 0.801 118 A HN 0.502 nan 8.150 nan 0.000 0.473 119 D N -0.790 119.657 120.400 0.079 0.000 2.469 119 D HA 0.074 4.714 4.640 -0.000 0.000 0.213 119 D C 0.561 176.888 176.300 0.045 0.000 1.135 119 D CA 0.816 54.856 54.000 0.067 0.000 0.834 119 D CB 0.154 41.007 40.800 0.088 0.000 1.009 119 D HN 0.474 nan 8.370 nan 0.000 0.507 120 T N -1.580 113.001 114.554 0.044 0.000 2.922 120 T HA 0.416 4.765 4.350 -0.000 0.000 0.285 120 T C 1.639 176.344 174.700 0.008 0.000 1.005 120 T CA -0.673 61.427 62.100 0.000 0.000 1.061 120 T CB 1.790 70.674 68.868 0.028 0.000 1.007 120 T HN -0.172 nan 8.240 nan 0.000 0.502 121 L N 0.954 122.164 121.223 -0.022 0.000 2.093 121 L HA -0.014 4.326 4.340 -0.000 0.000 0.208 121 L C 2.196 179.083 176.870 0.029 0.000 1.085 121 L CA 1.467 56.307 54.840 0.000 0.000 0.755 121 L CB -0.419 41.631 42.059 -0.015 0.000 0.904 121 L HN 0.821 nan 8.230 nan 0.000 0.435 122 D N -0.871 119.568 120.400 0.064 0.000 2.339 122 D HA 0.041 4.681 4.640 -0.000 0.000 0.217 122 D C 1.378 177.729 176.300 0.084 0.000 1.050 122 D CA 0.635 54.688 54.000 0.087 0.000 0.856 122 D CB 0.123 41.005 40.800 0.136 0.000 0.922 122 D HN 0.224 nan 8.370 nan 0.000 0.518 123 G N 0.403 109.253 108.800 0.083 0.000 2.153 123 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.252 123 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.252 123 G C 0.134 175.073 174.900 0.065 0.000 0.994 123 G CA 0.492 45.630 45.100 0.063 0.000 0.698 123 G HN 0.486 nan 8.290 nan 0.000 0.521 124 K N -0.919 119.558 120.400 0.129 0.000 2.211 124 K HA 0.665 4.985 4.320 -0.000 0.000 0.237 124 K C 0.181 176.873 176.600 0.153 0.000 1.002 124 K CA -0.977 55.344 56.287 0.058 0.000 0.885 124 K CB 2.150 34.623 32.500 -0.046 0.000 1.136 124 K HN -0.002 nan 8.250 nan 0.000 0.448 125 V N 2.636 122.578 119.914 0.046 0.000 2.432 125 V HA 0.112 4.232 4.120 -0.000 0.000 0.271 125 V C -0.107 176.021 176.094 0.056 0.000 1.046 125 V CA -0.283 62.096 62.300 0.132 0.000 0.945 125 V CB 0.208 32.187 31.823 0.260 0.000 0.992 125 V HN 0.585 nan 8.190 nan 0.000 0.471 126 H N 5.319 124.405 119.070 0.025 0.000 2.457 126 H HA 0.619 5.175 4.556 -0.000 0.000 0.335 126 H C -1.168 174.123 175.328 -0.063 0.000 1.115 126 H CA -0.699 55.357 56.048 0.015 0.000 1.219 126 H CB 2.246 32.100 29.762 0.154 0.000 1.471 126 H HN 0.375 nan 8.280 nan 0.000 0.491 127 L N 2.561 123.758 121.223 -0.043 0.000 2.404 127 L HA 0.241 4.581 4.340 -0.000 0.000 0.272 127 L C 0.055 176.922 176.870 -0.005 0.000 0.980 127 L CA -0.355 54.417 54.840 -0.113 0.000 0.836 127 L CB 1.970 43.834 42.059 -0.324 0.000 1.238 127 L HN 0.525 nan 8.230 nan 0.000 0.408 128 T N 2.266 116.862 114.554 0.070 0.000 2.758 128 T HA 0.505 4.855 4.350 -0.000 0.000 0.285 128 T C 0.167 174.898 174.700 0.053 0.000 0.981 128 T CA -0.476 61.700 62.100 0.127 0.000 0.965 128 T CB 1.405 70.371 68.868 0.165 0.000 0.927 128 T HN 0.192 nan 8.240 nan 0.000 0.448 129 V N 3.101 123.044 119.914 0.049 0.000 2.740 129 V HA 0.381 4.501 4.120 -0.000 0.000 0.303 129 V C 0.861 176.988 176.094 0.054 0.000 1.054 129 V CA -0.614 61.708 62.300 0.036 0.000 1.106 129 V CB 0.477 32.322 31.823 0.037 0.000 0.957 129 V HN 1.042 nan 8.190 nan 0.000 0.486 130 A N 3.742 126.593 122.820 0.051 0.000 2.331 130 A HA 0.421 4.741 4.320 -0.000 0.000 0.283 130 A C 1.079 178.707 177.584 0.073 0.000 1.142 130 A CA -0.328 51.747 52.037 0.064 0.000 0.812 130 A CB 0.124 19.157 19.000 0.056 0.000 1.074 130 A HN 1.012 nan 8.150 nan 0.000 0.497 131 N N 2.372 121.120 118.700 0.080 0.000 2.331 131 N HA -0.107 4.633 4.740 -0.000 0.000 0.180 131 N C 0.485 176.049 175.510 0.089 0.000 1.019 131 N CA 0.942 54.042 53.050 0.084 0.000 0.881 131 N CB -0.760 37.777 38.487 0.083 0.000 0.972 131 N HN 0.708 nan 8.380 nan 0.000 0.435 132 L N 0.066 121.345 121.223 0.093 0.000 3.742 132 L HA -0.266 4.074 4.340 -0.000 0.000 0.431 132 L C 1.182 178.111 176.870 0.098 0.000 1.220 132 L CA 0.473 55.370 54.840 0.095 0.000 0.863 132 L CB -1.840 40.262 42.059 0.072 0.000 1.751 132 L HN 0.489 nan 8.230 nan 0.000 0.922 133 N N 1.009 119.775 118.700 0.110 0.000 2.381 133 N HA -0.182 4.558 4.740 -0.000 0.000 0.182 133 N C 1.446 177.034 175.510 0.130 0.000 1.025 133 N CA 1.437 54.560 53.050 0.120 0.000 0.888 133 N CB 0.055 38.606 38.487 0.106 0.000 0.965 133 N HN 0.671 nan 8.380 nan 0.000 0.438 134 N N 0.600 119.374 118.700 0.123 0.000 2.120 134 N HA -0.109 4.631 4.740 -0.000 0.000 0.188 134 N C -0.434 175.163 175.510 0.145 0.000 1.024 134 N CA 0.990 54.117 53.050 0.127 0.000 0.852 134 N CB 0.122 38.681 38.487 0.120 0.000 1.003 134 N HN 0.067 nan 8.380 nan 0.000 0.424 135 K N 1.012 121.484 120.400 0.120 0.000 2.240 135 K HA 0.070 4.389 4.320 -0.000 0.000 0.271 135 K C 0.512 177.225 176.600 0.189 0.000 1.018 135 K CA -0.574 55.799 56.287 0.144 0.000 0.874 135 K CB 0.757 33.258 32.500 0.001 0.000 1.098 135 K HN 0.106 nan 8.250 nan 0.000 0.458 136 F N 4.337 124.387 119.950 0.167 0.000 2.065 136 F HA -0.359 4.168 4.527 -0.000 0.000 0.298 136 F C 2.470 178.374 175.800 0.174 0.000 1.112 136 F CA 1.804 59.913 58.000 0.182 0.000 1.212 136 F CB 0.173 39.331 39.000 0.263 0.000 0.975 136 F HN 0.782 nan 8.300 nan 0.000 0.476 137 H N 0.103 119.135 119.070 -0.063 0.000 2.422 137 H HA -0.112 4.444 4.556 -0.000 0.000 0.298 137 H C 1.881 177.172 175.328 -0.062 0.000 1.098 137 H CA 1.381 57.320 56.048 -0.183 0.000 1.315 137 H CB -0.706 29.038 29.762 -0.031 0.000 1.382 137 H HN 0.281 nan 8.280 nan 0.000 0.523 138 R N 0.965 121.145 120.500 -0.533 0.000 2.100 138 R HA -0.024 4.316 4.340 -0.000 0.000 0.220 138 R C 2.667 178.924 176.300 -0.072 0.000 1.091 138 R CA 1.063 56.984 56.100 -0.298 0.000 0.986 138 R CB -0.452 29.662 30.300 -0.310 0.000 0.888 138 R HN 0.570 nan 8.270 nan 0.000 0.444 139 S N 0.973 116.676 115.700 0.004 0.000 2.469 139 S HA -0.050 4.420 4.470 -0.000 0.000 0.238 139 S C 1.987 176.649 174.600 0.103 0.000 0.998 139 S CA 0.763 59.023 58.200 0.100 0.000 0.957 139 S CB -0.427 62.896 63.200 0.203 0.000 0.764 139 S HN 0.235 nan 8.310 nan 0.000 0.514 140 L N 0.582 121.835 121.223 0.050 0.000 2.395 140 L HA 0.081 4.421 4.340 -0.000 0.000 0.218 140 L C 2.586 179.480 176.870 0.040 0.000 1.130 140 L CA 0.832 55.711 54.840 0.065 0.000 0.826 140 L CB -0.517 41.550 42.059 0.013 0.000 0.941 140 L HN 0.383 nan 8.230 nan 0.000 0.451 141 E N 0.789 121.021 120.200 0.053 0.000 2.072 141 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 141 E C 2.385 179.071 176.600 0.143 0.000 0.985 141 E CA 1.002 57.483 56.400 0.136 0.000 0.801 141 E CB -0.164 29.582 29.700 0.077 0.000 0.750 141 E HN 0.459 nan 8.360 nan 0.000 0.452 142 A N 2.065 124.943 122.820 0.097 0.000 1.893 142 A HA -0.249 4.071 4.320 -0.000 0.000 0.222 142 A C -0.230 177.386 177.584 0.053 0.000 1.309 142 A CA 2.352 54.436 52.037 0.078 0.000 0.681 142 A CB -1.922 17.124 19.000 0.076 0.000 0.842 142 A HN 0.171 nan 8.150 nan 0.000 0.468 143 P HA -0.121 nan 4.420 nan 0.000 0.214 143 P C 1.646 178.923 177.300 -0.038 0.000 1.163 143 P CA 1.684 64.797 63.100 0.023 0.000 0.889 143 P CB -0.158 31.579 31.700 0.061 0.000 0.790 144 V N -0.875 118.974 119.914 -0.108 0.000 2.427 144 V HA -0.197 3.923 4.120 -0.000 0.000 0.248 144 V C 2.286 178.231 176.094 -0.248 0.000 1.051 144 V CA 2.335 64.473 62.300 -0.269 0.000 1.048 144 V CB -1.701 29.782 31.823 -0.567 0.000 0.666 144 V HN 0.199 nan 8.190 nan 0.000 0.456 145 T N -0.579 113.934 114.554 -0.069 0.000 2.746 145 T HA -0.245 4.105 4.350 -0.000 0.000 0.267 145 T C 1.869 176.563 174.700 -0.011 0.000 1.039 145 T CA 1.830 63.963 62.100 0.055 0.000 1.142 145 T CB -0.171 68.778 68.868 0.135 0.000 0.866 145 T HN 0.596 nan 8.240 nan 0.000 0.444 146 E N 0.549 120.736 120.200 -0.022 0.000 2.077 146 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 146 E C 2.401 178.965 176.600 -0.060 0.000 0.989 146 E CA 1.119 57.501 56.400 -0.030 0.000 0.800 146 E CB -0.045 29.647 29.700 -0.015 0.000 0.746 146 E HN 0.332 nan 8.360 nan 0.000 0.452 147 S N 0.636 116.281 115.700 -0.093 0.000 2.368 147 S HA -0.130 4.340 4.470 -0.000 0.000 0.225 147 S C 1.957 176.464 174.600 -0.154 0.000 1.030 147 S CA 0.882 59.004 58.200 -0.130 0.000 0.999 147 S CB -0.166 62.928 63.200 -0.177 0.000 0.844 147 S HN 0.264 nan 8.310 nan 0.000 0.459 148 L N 0.803 121.928 121.223 -0.163 0.000 2.056 148 L HA -0.036 4.304 4.340 -0.000 0.000 0.207 148 L C 2.216 179.033 176.870 -0.088 0.000 1.078 148 L CA 0.952 55.702 54.840 -0.150 0.000 0.749 148 L CB -0.520 41.475 42.059 -0.106 0.000 0.901 148 L HN 0.283 nan 8.230 nan 0.000 0.433 149 L N -0.289 120.913 121.223 -0.036 0.000 2.141 149 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 149 L C 2.469 179.368 176.870 0.048 0.000 1.094 149 L CA 1.272 56.140 54.840 0.046 0.000 0.763 149 L CB -0.314 41.750 42.059 0.009 0.000 0.908 149 L HN 0.239 nan 8.230 nan 0.000 0.437 150 K N -0.337 120.047 120.400 -0.026 0.000 2.296 150 K HA 0.005 4.325 4.320 -0.000 0.000 0.200 150 K C 1.993 178.560 176.600 -0.055 0.000 1.048 150 K CA 0.872 57.141 56.287 -0.029 0.000 0.966 150 K CB 0.049 32.522 32.500 -0.045 0.000 0.754 150 K HN 0.234 nan 8.250 nan 0.000 0.466 151 A N 0.565 123.327 122.820 -0.097 0.000 2.081 151 A HA 0.067 4.387 4.320 -0.000 0.000 0.214 151 A C 1.828 179.317 177.584 -0.158 0.000 1.158 151 A CA 0.655 52.619 52.037 -0.122 0.000 0.724 151 A CB -0.098 18.810 19.000 -0.153 0.000 0.826 151 A HN 0.107 nan 8.150 nan 0.000 0.463 152 I N -2.411 118.023 120.570 -0.227 0.000 2.729 152 I HA 0.073 4.243 4.170 -0.000 0.000 0.256 152 I C 0.019 175.760 176.117 -0.627 0.000 1.115 152 I CA 0.511 61.551 61.300 -0.434 0.000 1.446 152 I CB 0.135 37.778 38.000 -0.595 0.000 1.176 152 I HN 0.197 nan 8.210 nan 0.000 0.446 153 F N 1.543 121.278 119.950 -0.358 0.000 2.560 153 F HA 0.248 4.775 4.527 -0.000 0.000 0.338 153 F C 1.266 176.980 175.800 -0.143 0.000 1.201 153 F CA -0.131 57.492 58.000 -0.628 0.000 1.291 153 F CB -0.604 37.781 39.000 -1.026 0.000 1.627 153 F HN 0.017 nan 8.300 nan 0.000 0.588 154 N N 0.292 119.043 118.700 0.085 0.000 2.416 154 N HA -0.137 4.603 4.740 -0.000 0.000 0.177 154 N C 0.403 176.026 175.510 0.189 0.000 1.036 154 N CA 0.024 53.141 53.050 0.111 0.000 0.901 154 N CB 0.159 38.664 38.487 0.029 0.000 0.976 154 N HN 0.254 nan 8.380 nan 0.000 0.444 155 D N 1.779 122.380 120.400 0.335 0.000 2.398 155 D HA -0.028 4.612 4.640 -0.000 0.000 0.250 155 D C 0.504 176.868 176.300 0.106 0.000 1.287 155 D CA 0.318 54.422 54.000 0.173 0.000 0.992 155 D CB 0.387 41.237 40.800 0.083 0.000 1.071 155 D HN 0.243 nan 8.370 nan 0.000 0.514 156 E N 1.664 121.900 120.200 0.060 0.000 2.331 156 E HA -0.175 4.174 4.350 -0.000 0.000 0.199 156 E C 0.950 177.519 176.600 -0.052 0.000 1.008 156 E CA 0.745 57.153 56.400 0.012 0.000 0.843 156 E CB 0.352 30.053 29.700 0.001 0.000 0.761 156 E HN 0.623 nan 8.360 nan 0.000 0.507 157 E N -0.114 120.039 120.200 -0.078 0.000 2.435 157 E HA -0.055 4.295 4.350 -0.000 0.000 0.195 157 E C 1.342 177.833 176.600 -0.182 0.000 1.029 157 E CA 0.516 56.854 56.400 -0.103 0.000 0.865 157 E CB 0.267 29.917 29.700 -0.083 0.000 0.833 157 E HN 0.108 nan 8.360 nan 0.000 0.510 158 K N -0.552 119.658 120.400 -0.317 0.000 2.435 158 K HA 0.189 4.509 4.320 -0.000 0.000 0.199 158 K C -0.098 176.084 176.600 -0.697 0.000 1.153 158 K CA 0.100 56.040 56.287 -0.579 0.000 0.974 158 K CB 0.852 32.826 32.500 -0.877 0.000 0.997 158 K HN -0.097 nan 8.250 nan 0.000 0.547 159 F N 0.381 120.288 119.950 -0.072 0.000 2.551 159 F HA 0.382 4.909 4.527 -0.000 0.000 0.316 159 F C -0.296 175.360 175.800 -0.240 0.000 1.089 159 F CA -1.157 56.759 58.000 -0.140 0.000 0.915 159 F CB 2.298 41.274 39.000 -0.040 0.000 1.186 159 F HN -0.347 nan 8.300 nan 0.000 0.456 160 S N 2.121 117.686 115.700 -0.225 0.000 2.718 160 S HA 0.464 4.934 4.470 -0.000 0.000 0.294 160 S C -0.742 173.507 174.600 -0.586 0.000 1.157 160 S CA -0.655 57.269 58.200 -0.460 0.000 1.121 160 S CB 1.275 63.993 63.200 -0.803 0.000 1.015 160 S HN 0.317 nan 8.310 nan 0.000 0.479 161 V N 5.660 125.319 119.914 -0.424 0.000 2.383 161 V HA 0.335 4.455 4.120 -0.000 0.000 0.275 161 V C -0.062 175.795 176.094 -0.394 0.000 1.036 161 V CA -0.518 61.565 62.300 -0.361 0.000 0.889 161 V CB 0.391 32.111 31.823 -0.173 0.000 0.985 161 V HN 0.760 nan 8.190 nan 0.000 0.459 162 H N 2.010 121.080 119.070 -0.000 0.000 2.479 162 H HA 0.470 5.025 4.556 -0.000 0.000 0.335 162 H C 0.147 175.484 175.328 0.015 0.000 1.142 162 H CA -0.579 55.482 56.048 0.021 0.000 1.234 162 H CB 1.773 31.566 29.762 0.051 0.000 1.503 162 H HN 0.558 nan 8.280 nan 0.000 0.510 163 S N 0.655 116.441 115.700 0.143 0.000 2.593 163 S HA 0.336 4.806 4.470 -0.000 0.000 0.269 163 S C 0.602 175.256 174.600 0.089 0.000 1.334 163 S CA -0.658 57.593 58.200 0.086 0.000 1.015 163 S CB 0.834 64.076 63.200 0.068 0.000 0.912 163 S HN 0.768 nan 8.310 nan 0.000 0.541 164 A N 1.811 124.673 122.820 0.071 0.000 2.466 164 A HA 0.349 4.669 4.320 -0.000 0.000 0.238 164 A C 0.184 177.806 177.584 0.063 0.000 1.074 164 A CA -0.372 51.707 52.037 0.070 0.000 0.774 164 A CB -0.187 18.854 19.000 0.068 0.000 1.015 164 A HN 0.598 nan 8.150 nan 0.000 0.498 165 L N 1.543 122.803 121.223 0.061 0.000 2.479 165 L HA 0.221 4.561 4.340 -0.000 0.000 0.270 165 L C -1.743 175.157 176.870 0.049 0.000 1.236 165 L CA -0.970 53.899 54.840 0.049 0.000 0.823 165 L CB -0.800 41.289 42.059 0.050 0.000 1.098 165 L HN 0.465 nan 8.230 nan 0.000 0.500 166 P HA 0.003 nan 4.420 nan 0.000 0.267 166 P C -0.957 176.373 177.300 0.049 0.000 1.200 166 P CA -0.082 63.042 63.100 0.040 0.000 0.772 166 P CB 0.263 31.980 31.700 0.028 0.000 0.855 167 Q N 1.884 121.717 119.800 0.055 0.000 2.837 167 Q HA 0.243 4.583 4.340 -0.000 0.000 0.235 167 Q C -0.247 175.787 176.000 0.058 0.000 1.348 167 Q CA 0.070 55.913 55.803 0.066 0.000 0.990 167 Q CB -0.194 28.591 28.738 0.078 0.000 1.570 167 Q HN 0.282 nan 8.270 nan 0.000 0.575 168 V N -2.965 116.982 119.914 0.055 0.000 3.012 168 V HA 0.668 4.788 4.120 -0.000 0.000 0.307 168 V C 0.864 176.990 176.094 0.054 0.000 1.166 168 V CA -0.484 61.845 62.300 0.048 0.000 0.974 168 V CB 1.504 33.348 31.823 0.034 0.000 1.040 168 V HN 0.352 nan 8.190 nan 0.000 0.428 169 A N 2.297 125.150 122.820 0.055 0.000 1.958 169 A HA -0.172 4.148 4.320 -0.000 0.000 0.221 169 A C 1.780 179.396 177.584 0.054 0.000 1.178 169 A CA 2.498 54.573 52.037 0.062 0.000 0.642 169 A CB -0.736 18.300 19.000 0.061 0.000 0.816 169 A HN 1.450 nan 8.150 nan 0.000 0.453 170 L N -1.017 120.229 121.223 0.038 0.000 2.187 170 L HA -0.030 4.310 4.340 -0.000 0.000 0.213 170 L C 1.172 178.054 176.870 0.020 0.000 1.100 170 L CA 1.660 56.514 54.840 0.023 0.000 0.765 170 L CB -0.146 41.919 42.059 0.010 0.000 0.904 170 L HN 0.390 nan 8.230 nan 0.000 0.437 171 L N -0.151 121.092 121.223 0.033 0.000 3.154 171 L HA 0.383 4.723 4.340 -0.000 0.000 0.266 171 L C 0.748 177.657 176.870 0.064 0.000 1.300 171 L CA -0.416 54.445 54.840 0.036 0.000 1.028 171 L CB -0.132 41.944 42.059 0.028 0.000 1.412 171 L HN 0.141 nan 8.230 nan 0.000 0.564 172 G N 0.151 108.999 108.800 0.079 0.000 2.254 172 G HA2 0.162 4.122 3.960 -0.000 0.000 0.253 172 G HA3 0.162 4.122 3.960 -0.000 0.000 0.253 172 G C -0.878 174.095 174.900 0.122 0.000 1.246 172 G CA 0.222 45.384 45.100 0.104 0.000 0.946 172 G HN 0.262 nan 8.290 nan 0.000 0.474 173 D N 1.041 121.514 120.400 0.123 0.000 2.757 173 D HA 0.318 4.957 4.640 -0.000 0.000 0.249 173 D C 0.429 176.805 176.300 0.126 0.000 1.168 173 D CA -0.618 53.462 54.000 0.133 0.000 0.870 173 D CB 1.431 42.302 40.800 0.117 0.000 1.411 173 D HN 0.231 nan 8.370 nan 0.000 0.525 174 E N 2.327 122.602 120.200 0.126 0.000 2.558 174 E HA 0.313 4.662 4.350 -0.000 0.000 0.205 174 E C 1.070 177.661 176.600 -0.017 0.000 1.006 174 E CA 0.002 56.447 56.400 0.075 0.000 0.961 174 E CB 0.582 30.354 29.700 0.120 0.000 1.044 174 E HN 0.786 nan 8.360 nan 0.000 0.465 175 G N 1.789 110.608 108.800 0.031 0.000 2.569 175 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.259 175 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.259 175 G C 1.084 175.965 174.900 -0.032 0.000 1.263 175 G CA 0.472 45.570 45.100 -0.002 0.000 0.928 175 G HN 0.347 nan 8.290 nan 0.000 0.572 176 A N -0.717 122.070 122.820 -0.055 0.000 2.032 176 A HA 0.185 4.505 4.320 -0.000 0.000 0.221 176 A C 2.971 180.549 177.584 -0.010 0.000 1.165 176 A CA 3.435 55.453 52.037 -0.031 0.000 0.645 176 A CB -0.975 18.009 19.000 -0.027 0.000 0.807 176 A HN 2.431 nan 8.150 nan 0.000 0.453 177 A N -0.484 122.288 122.820 -0.080 0.000 2.131 177 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 177 A C 1.554 179.098 177.584 -0.066 0.000 1.158 177 A CA 1.625 53.587 52.037 -0.125 0.000 0.665 177 A CB -0.584 18.188 19.000 -0.381 0.000 0.795 177 A HN 0.724 nan 8.150 nan 0.000 0.460 178 N N -1.899 116.792 118.700 -0.017 0.000 2.187 178 N HA 0.094 4.834 4.740 -0.000 0.000 0.212 178 N C 0.032 175.569 175.510 0.045 0.000 1.152 178 N CA -0.151 52.931 53.050 0.053 0.000 0.872 178 N CB 0.329 38.891 38.487 0.124 0.000 1.025 178 N HN 0.563 nan 8.380 nan 0.000 0.514 179 H N 0.705 119.692 119.070 -0.139 0.000 2.567 179 H HA 0.437 4.993 4.556 -0.000 0.000 0.345 179 H C -0.886 174.344 175.328 -0.163 0.000 1.169 179 H CA -0.226 55.651 56.048 -0.286 0.000 1.227 179 H CB 1.033 30.578 29.762 -0.362 0.000 1.607 179 H HN 0.087 nan 8.280 nan 0.000 0.534 180 N N 2.026 120.311 118.700 -0.691 0.000 2.484 180 N HA 0.199 4.939 4.740 -0.000 0.000 0.269 180 N C -1.355 173.899 175.510 -0.426 0.000 1.237 180 N CA -0.696 52.145 53.050 -0.348 0.000 0.838 180 N CB 3.044 41.428 38.487 -0.171 0.000 1.593 180 N HN 0.519 nan 8.380 nan 0.000 0.485 181 R N 1.719 122.134 120.500 -0.142 0.000 2.510 181 R HA 0.480 4.820 4.340 -0.000 0.000 0.294 181 R C -1.687 174.638 176.300 0.041 0.000 1.056 181 R CA -0.395 55.674 56.100 -0.052 0.000 0.918 181 R CB 0.958 31.286 30.300 0.046 0.000 1.187 181 R HN 0.511 nan 8.270 nan 0.000 0.437 182 L N 3.720 124.966 121.223 0.039 0.000 2.346 182 L HA 0.875 5.214 4.340 -0.000 0.000 0.276 182 L C 0.396 177.313 176.870 0.077 0.000 1.006 182 L CA -0.529 54.363 54.840 0.087 0.000 0.817 182 L CB 2.264 44.408 42.059 0.142 0.000 1.272 182 L HN 0.928 nan 8.230 nan 0.000 0.421 183 G N 0.820 109.664 108.800 0.074 0.000 2.325 183 G HA2 0.410 4.370 3.960 -0.000 0.000 0.295 183 G HA3 0.410 4.370 3.960 -0.000 0.000 0.295 183 G C -0.309 174.609 174.900 0.030 0.000 1.274 183 G CA -0.064 45.074 45.100 0.063 0.000 0.857 183 G HN 0.762 nan 8.290 nan 0.000 0.499 184 G N -0.997 107.835 108.800 0.054 0.000 2.948 184 G HA2 0.412 4.371 3.960 -0.000 0.000 0.174 184 G HA3 0.412 4.371 3.960 -0.000 0.000 0.174 184 G C -0.028 174.853 174.900 -0.031 0.000 1.839 184 G CA 0.108 45.244 45.100 0.060 0.000 0.908 184 G HN 0.738 nan 8.290 nan 0.000 0.419 185 H N -0.678 118.359 119.070 -0.056 0.000 2.683 185 H HA 0.283 4.839 4.556 -0.000 0.000 0.339 185 H C 0.952 176.275 175.328 -0.010 0.000 1.081 185 H CA -0.222 55.777 56.048 -0.082 0.000 1.432 185 H CB 0.538 30.302 29.762 0.005 0.000 1.462 185 H HN 0.440 nan 8.280 nan 0.000 0.557 186 Y N 1.549 121.959 120.300 0.185 0.000 2.133 186 Y HA -0.327 4.223 4.550 -0.000 0.000 0.279 186 Y C 2.608 178.605 175.900 0.163 0.000 1.209 186 Y CA 1.133 59.333 58.100 0.166 0.000 1.152 186 Y CB -0.317 38.257 38.460 0.190 0.000 0.961 186 Y HN 0.857 nan 8.280 nan 0.000 0.512 187 G N -0.420 108.579 108.800 0.331 0.000 2.509 187 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.218 187 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.218 187 G C 0.316 175.308 174.900 0.153 0.000 1.124 187 G CA 0.207 45.437 45.100 0.217 0.000 0.776 187 G HN 0.357 nan 8.290 nan 0.000 0.547 188 E N 0.997 121.288 120.200 0.152 0.000 2.345 188 E HA 0.236 4.586 4.350 -0.000 0.000 0.259 188 E C -2.255 174.407 176.600 0.104 0.000 1.117 188 E CA -2.020 54.443 56.400 0.106 0.000 0.913 188 E CB 0.722 30.482 29.700 0.100 0.000 1.057 188 E HN 0.049 nan 8.360 nan 0.000 0.432 189 P HA 0.005 nan 4.420 nan 0.000 0.267 189 P C -0.515 176.830 177.300 0.075 0.000 1.205 189 P CA 0.096 63.240 63.100 0.073 0.000 0.765 189 P CB 0.816 32.547 31.700 0.052 0.000 0.828 190 G N 2.265 111.114 108.800 0.082 0.000 2.644 190 G HA2 0.588 4.547 3.960 -0.000 0.000 0.307 190 G HA3 0.588 4.547 3.960 -0.000 0.000 0.307 190 G C -1.168 173.761 174.900 0.049 0.000 1.250 190 G CA -0.745 44.400 45.100 0.075 0.000 0.996 190 G HN 0.486 nan 8.290 nan 0.000 0.489 191 M N 0.816 120.433 119.600 0.028 0.000 2.088 191 M HA 0.377 4.857 4.480 -0.000 0.000 0.346 191 M C -0.174 176.104 176.300 -0.036 0.000 1.111 191 M CA -0.458 54.837 55.300 -0.008 0.000 1.017 191 M CB 0.946 33.526 32.600 -0.032 0.000 1.568 191 M HN 0.442 nan 8.290 nan 0.000 0.445 192 Q N 3.663 123.445 119.800 -0.029 0.000 2.274 192 Q HA 0.480 4.820 4.340 -0.000 0.000 0.256 192 Q C -1.391 174.522 176.000 -0.144 0.000 0.927 192 Q CA -0.599 55.140 55.803 -0.107 0.000 0.939 192 Q CB 1.641 30.454 28.738 0.125 0.000 1.201 192 Q HN 0.692 nan 8.270 nan 0.000 0.426 193 L N 4.006 125.044 121.223 -0.309 0.000 2.294 193 L HA 0.441 4.780 4.340 -0.000 0.000 0.283 193 L C -1.629 175.113 176.870 -0.213 0.000 1.015 193 L CA -0.204 54.514 54.840 -0.203 0.000 0.831 193 L CB 0.448 42.389 42.059 -0.197 0.000 1.217 193 L HN 0.404 nan 8.230 nan 0.000 0.420 194 F N 4.934 124.783 119.950 -0.168 0.000 2.404 194 F HA 0.458 4.984 4.527 -0.000 0.000 0.358 194 F C 0.255 176.169 175.800 0.190 0.000 1.120 194 F CA -0.431 57.615 58.000 0.076 0.000 1.144 194 F CB 1.338 40.460 39.000 0.204 0.000 1.133 194 F HN 0.112 nan 8.300 nan 0.000 0.495 195 V N 5.368 125.457 119.914 0.292 0.000 2.427 195 V HA 0.393 4.513 4.120 -0.000 0.000 0.286 195 V C -0.591 175.677 176.094 0.290 0.000 1.034 195 V CA -0.815 61.620 62.300 0.225 0.000 0.893 195 V CB 0.920 32.853 31.823 0.184 0.000 0.982 195 V HN 0.611 nan 8.190 nan 0.000 0.452 196 Y N 1.538 121.974 120.300 0.226 0.000 2.576 196 Y HA 0.838 5.387 4.550 -0.000 0.000 0.346 196 Y C 0.864 176.846 175.900 0.138 0.000 1.018 196 Y CA -0.722 57.489 58.100 0.185 0.000 1.050 196 Y CB 1.720 40.289 38.460 0.182 0.000 1.280 196 Y HN 0.495 nan 8.280 nan 0.000 0.474 197 G N 0.804 109.775 108.800 0.284 0.000 2.545 197 G HA2 0.248 4.208 3.960 -0.000 0.000 0.212 197 G HA3 0.248 4.208 3.960 -0.000 0.000 0.212 197 G C 0.030 175.067 174.900 0.229 0.000 1.144 197 G CA 0.061 45.263 45.100 0.171 0.000 0.813 197 G HN 0.821 nan 8.290 nan 0.000 0.531 198 R N -0.318 120.391 120.500 0.349 0.000 2.752 198 R HA 0.648 4.988 4.340 -0.000 0.000 0.271 198 R C -1.753 174.668 176.300 0.201 0.000 1.026 198 R CA -0.922 55.337 56.100 0.264 0.000 0.901 198 R CB 1.039 31.429 30.300 0.150 0.000 1.243 198 R HN 0.230 nan 8.270 nan 0.000 0.463 199 E N 0.443 120.704 120.200 0.102 0.000 2.372 199 E HA 0.256 4.605 4.350 -0.000 0.000 0.279 199 E C -1.303 175.291 176.600 -0.009 0.000 0.946 199 E CA -1.082 55.299 56.400 -0.031 0.000 0.769 199 E CB 2.048 31.655 29.700 -0.154 0.000 1.230 199 E HN 0.582 nan 8.360 nan 0.000 0.442 200 E N 0.440 120.618 120.200 -0.036 0.000 2.413 200 E HA 0.216 4.566 4.350 -0.000 0.000 0.263 200 E C 0.712 177.301 176.600 -0.017 0.000 1.015 200 E CA 1.410 57.797 56.400 -0.020 0.000 0.916 200 E CB 0.597 30.278 29.700 -0.032 0.000 0.947 200 E HN 0.889 nan 8.360 nan 0.000 0.440 201 G N 3.204 112.002 108.800 -0.003 0.000 2.184 201 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.264 201 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.264 201 G C 0.160 175.066 174.900 0.010 0.000 0.975 201 G CA 0.215 45.315 45.100 -0.001 0.000 0.642 201 G HN 0.535 nan 8.290 nan 0.000 0.536 202 N N 0.671 119.384 118.700 0.022 0.000 2.424 202 N HA 0.431 5.170 4.740 -0.000 0.000 0.271 202 N C 0.531 176.066 175.510 0.042 0.000 0.985 202 N CA -0.075 52.999 53.050 0.040 0.000 0.921 202 N CB 1.265 39.794 38.487 0.069 0.000 1.149 202 N HN 0.128 nan 8.380 nan 0.000 0.492 203 D N 0.471 120.892 120.400 0.035 0.000 2.317 203 D HA -0.026 4.614 4.640 -0.000 0.000 0.211 203 D C -0.020 176.301 176.300 0.035 0.000 0.966 203 D CA 0.949 54.968 54.000 0.031 0.000 0.876 203 D CB 0.169 40.982 40.800 0.022 0.000 0.927 203 D HN 0.388 nan 8.370 nan 0.000 0.519 204 T N 2.102 116.682 114.554 0.044 0.000 2.743 204 T HA 0.371 4.720 4.350 -0.000 0.000 0.290 204 T C 0.121 174.854 174.700 0.055 0.000 0.908 204 T CA -0.296 61.830 62.100 0.043 0.000 1.092 204 T CB -0.011 68.885 68.868 0.048 0.000 0.882 204 T HN 0.260 nan 8.240 nan 0.000 0.531 205 R N 2.085 122.610 120.500 0.042 0.000 2.739 205 R HA 0.477 4.817 4.340 -0.000 0.000 0.266 205 R C -3.555 172.764 176.300 0.032 0.000 1.044 205 R CA -2.008 54.122 56.100 0.049 0.000 0.885 205 R CB -0.199 30.142 30.300 0.067 0.000 1.260 205 R HN 0.177 nan 8.270 nan 0.000 0.477 206 P HA -0.004 nan 4.420 nan 0.000 0.266 206 P C 0.055 177.367 177.300 0.020 0.000 1.193 206 P CA -0.069 63.041 63.100 0.016 0.000 0.770 206 P CB 0.704 32.427 31.700 0.037 0.000 0.836 207 S N 0.546 116.241 115.700 -0.007 0.000 2.632 207 S HA 0.206 4.676 4.470 -0.000 0.000 0.237 207 S C 1.333 175.932 174.600 -0.002 0.000 1.037 207 S CA -0.376 57.826 58.200 0.003 0.000 1.009 207 S CB 0.206 63.401 63.200 -0.008 0.000 0.974 207 S HN 0.292 nan 8.310 nan 0.000 0.544 208 R N -0.152 120.312 120.500 -0.060 0.000 2.125 208 R HA 0.401 4.741 4.340 -0.000 0.000 0.195 208 R C -0.430 175.867 176.300 -0.006 0.000 1.138 208 R CA 0.314 56.342 56.100 -0.120 0.000 1.123 208 R CB 0.211 30.263 30.300 -0.413 0.000 1.049 208 R HN 0.443 nan 8.270 nan 0.000 0.503 209 Y N 1.573 121.838 120.300 -0.058 0.000 2.453 209 Y HA 0.381 4.931 4.550 -0.000 0.000 0.326 209 Y C -1.916 173.968 175.900 -0.027 0.000 1.186 209 Y CA -2.921 55.078 58.100 -0.169 0.000 1.200 209 Y CB 1.260 39.565 38.460 -0.257 0.000 1.247 209 Y HN 0.158 nan 8.280 nan 0.000 0.482 210 P HA 0.144 nan 4.420 nan 0.000 0.274 210 P C -1.306 176.069 177.300 0.125 0.000 1.231 210 P CA -0.459 62.733 63.100 0.153 0.000 0.790 210 P CB 0.786 32.580 31.700 0.158 0.000 0.951 211 A N 3.100 125.994 122.820 0.122 0.000 2.444 211 A HA 0.230 4.550 4.320 -0.000 0.000 0.332 211 A C 1.263 178.932 177.584 0.141 0.000 1.430 211 A CA -0.574 51.538 52.037 0.126 0.000 0.975 211 A CB -0.251 18.824 19.000 0.125 0.000 1.147 211 A HN 0.439 nan 8.150 nan 0.000 0.524 212 R N 0.730 121.322 120.500 0.153 0.000 2.115 212 R HA -0.102 4.238 4.340 -0.000 0.000 0.230 212 R C 0.597 177.007 176.300 0.183 0.000 1.111 212 R CA 0.999 57.200 56.100 0.168 0.000 0.976 212 R CB 0.015 30.436 30.300 0.200 0.000 0.870 212 R HN 0.734 nan 8.270 nan 0.000 0.445 213 Q N 1.436 121.360 119.800 0.207 0.000 2.257 213 Q HA 0.109 4.449 4.340 -0.000 0.000 0.255 213 Q C -0.895 175.244 176.000 0.232 0.000 0.920 213 Q CA -0.270 55.667 55.803 0.224 0.000 0.927 213 Q CB 1.617 30.514 28.738 0.264 0.000 1.229 213 Q HN 0.115 nan 8.270 nan 0.000 0.433 214 T N 0.218 114.878 114.554 0.177 0.000 2.888 214 T HA 0.400 4.750 4.350 -0.000 0.000 0.284 214 T C 0.678 175.375 174.700 -0.005 0.000 1.017 214 T CA -0.834 61.328 62.100 0.104 0.000 1.022 214 T CB 1.521 70.413 68.868 0.040 0.000 1.013 214 T HN 0.800 nan 8.240 nan 0.000 0.465 215 R N 0.770 121.078 120.500 -0.321 0.000 2.096 215 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 215 R C 1.710 177.771 176.300 -0.399 0.000 1.127 215 R CA 1.839 57.520 56.100 -0.698 0.000 0.968 215 R CB -0.304 29.179 30.300 -1.362 0.000 0.861 215 R HN 0.822 nan 8.270 nan 0.000 0.440 216 E N 0.418 120.457 120.200 -0.269 0.000 2.058 216 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 216 E C 1.884 178.409 176.600 -0.126 0.000 0.997 216 E CA 1.780 58.064 56.400 -0.193 0.000 0.801 216 E CB -0.288 29.341 29.700 -0.119 0.000 0.746 216 E HN 0.490 nan 8.360 nan 0.000 0.450 217 A N 0.488 123.278 122.820 -0.050 0.000 1.858 217 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 217 A C 2.376 179.988 177.584 0.047 0.000 1.190 217 A CA 1.931 53.979 52.037 0.019 0.000 0.617 217 A CB -0.874 18.171 19.000 0.076 0.000 0.827 217 A HN 0.208 nan 8.150 nan 0.000 0.443 218 S N -0.367 115.393 115.700 0.100 0.000 2.374 218 S HA -0.224 4.246 4.470 -0.000 0.000 0.227 218 S C 1.866 176.465 174.600 -0.001 0.000 1.037 218 S CA 1.735 60.075 58.200 0.233 0.000 1.024 218 S CB -0.351 63.123 63.200 0.457 0.000 0.861 218 S HN 0.682 nan 8.310 nan 0.000 0.456 219 E N 0.658 120.732 120.200 -0.210 0.000 2.106 219 E HA -0.069 4.281 4.350 -0.000 0.000 0.192 219 E C 2.329 178.838 176.600 -0.151 0.000 0.984 219 E CA 0.883 57.092 56.400 -0.319 0.000 0.806 219 E CB -0.194 29.204 29.700 -0.503 0.000 0.750 219 E HN 0.523 nan 8.360 nan 0.000 0.458 220 A N 0.610 123.367 122.820 -0.105 0.000 1.898 220 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 220 A C 2.418 179.982 177.584 -0.033 0.000 1.181 220 A CA 0.960 52.959 52.037 -0.064 0.000 0.620 220 A CB -0.458 18.517 19.000 -0.041 0.000 0.819 220 A HN 0.114 nan 8.150 nan 0.000 0.442 221 V N -0.026 119.900 119.914 0.020 0.000 2.358 221 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 221 V C 3.046 179.171 176.094 0.053 0.000 1.047 221 V CA 1.786 64.136 62.300 0.084 0.000 1.035 221 V CB -1.282 30.680 31.823 0.232 0.000 0.658 221 V HN 0.598 nan 8.190 nan 0.000 0.452 222 A N -0.107 122.674 122.820 -0.066 0.000 1.940 222 A HA -0.261 4.059 4.320 -0.000 0.000 0.219 222 A C 2.407 179.956 177.584 -0.059 0.000 1.176 222 A CA 2.055 54.020 52.037 -0.121 0.000 0.631 222 A CB -0.476 18.346 19.000 -0.297 0.000 0.814 222 A HN 0.517 nan 8.150 nan 0.000 0.446 223 R N -0.913 119.545 120.500 -0.070 0.000 2.057 223 R HA 0.045 4.385 4.340 -0.000 0.000 0.229 223 R C 2.160 178.386 176.300 -0.123 0.000 1.136 223 R CA 1.295 57.345 56.100 -0.083 0.000 0.952 223 R CB -0.540 29.713 30.300 -0.079 0.000 0.848 223 R HN 0.497 nan 8.270 nan 0.000 0.430 224 L N 1.123 122.264 121.223 -0.138 0.000 2.051 224 L HA -0.246 4.094 4.340 -0.000 0.000 0.214 224 L C 1.491 178.179 176.870 -0.304 0.000 1.076 224 L CA 1.199 55.872 54.840 -0.279 0.000 0.758 224 L CB -0.412 41.515 42.059 -0.220 0.000 0.890 224 L HN 0.220 nan 8.230 nan 0.000 0.433 225 N N 0.090 118.727 118.700 -0.105 0.000 2.521 225 N HA -0.071 4.669 4.740 -0.000 0.000 0.188 225 N C 0.076 175.357 175.510 -0.383 0.000 1.146 225 N CA 0.219 53.219 53.050 -0.083 0.000 0.893 225 N CB 0.073 38.602 38.487 0.071 0.000 0.975 225 N HN 0.257 nan 8.380 nan 0.000 0.451 226 Q N -0.677 118.944 119.800 -0.299 0.000 2.453 226 Q HA -0.161 4.178 4.340 -0.000 0.000 0.294 226 Q C -0.947 174.957 176.000 -0.160 0.000 1.295 226 Q CA 0.141 55.790 55.803 -0.257 0.000 0.853 226 Q CB -1.506 27.006 28.738 -0.377 0.000 1.193 226 Q HN 0.070 nan 8.270 nan 0.000 0.461 227 V N 1.699 121.567 119.914 -0.077 0.000 2.555 227 V HA 0.055 4.175 4.120 -0.000 0.000 0.286 227 V C 0.864 176.953 176.094 -0.008 0.000 1.044 227 V CA -0.414 61.882 62.300 -0.007 0.000 1.026 227 V CB 1.008 32.874 31.823 0.072 0.000 0.981 227 V HN 0.306 nan 8.190 nan 0.000 0.480 228 N N 6.979 125.680 118.700 0.002 0.000 2.411 228 N HA 0.020 4.760 4.740 -0.000 0.000 0.265 228 N C -1.587 173.924 175.510 0.002 0.000 1.266 228 N CA -0.959 52.092 53.050 0.002 0.000 0.889 228 N CB 0.903 39.396 38.487 0.010 0.000 1.069 228 N HN 0.406 nan 8.380 nan 0.000 0.476 229 P HA -0.224 nan 4.420 nan 0.000 0.218 229 P C 1.145 178.446 177.300 0.001 0.000 1.150 229 P CA 1.538 64.640 63.100 0.004 0.000 0.841 229 P CB 0.177 31.881 31.700 0.006 0.000 0.784 230 Q N -0.942 118.857 119.800 -0.000 0.000 2.444 230 Q HA -0.044 4.296 4.340 -0.000 0.000 0.206 230 Q C 1.054 177.048 176.000 -0.010 0.000 0.948 230 Q CA 0.623 56.423 55.803 -0.004 0.000 0.946 230 Q CB -0.379 28.358 28.738 -0.001 0.000 1.027 230 Q HN 0.380 nan 8.270 nan 0.000 0.513 231 Q N 0.731 120.527 119.800 -0.006 0.000 2.175 231 Q HA 0.285 4.625 4.340 -0.000 0.000 0.225 231 Q C -0.945 175.046 176.000 -0.016 0.000 0.837 231 Q CA -0.198 55.603 55.803 -0.003 0.000 1.032 231 Q CB 1.636 30.388 28.738 0.023 0.000 1.137 231 Q HN 0.088 nan 8.270 nan 0.000 0.483 232 V N 1.311 121.189 119.914 -0.060 0.000 2.656 232 V HA 0.560 4.679 4.120 -0.000 0.000 0.307 232 V C -0.444 175.497 176.094 -0.254 0.000 1.051 232 V CA -0.644 61.559 62.300 -0.161 0.000 0.893 232 V CB 2.337 34.021 31.823 -0.232 0.000 0.999 232 V HN 0.180 nan 8.190 nan 0.000 0.426 233 I N 3.877 124.236 120.570 -0.351 0.000 2.619 233 I HA 0.522 4.692 4.170 -0.000 0.000 0.292 233 I C -1.462 174.442 176.117 -0.354 0.000 1.100 233 I CA -0.308 60.830 61.300 -0.271 0.000 1.043 233 I CB 2.421 40.331 38.000 -0.150 0.000 1.239 233 I HN 0.437 nan 8.210 nan 0.000 0.420 234 F N 4.265 124.281 119.950 0.111 0.000 2.458 234 F HA 0.789 5.315 4.527 -0.000 0.000 0.336 234 F C 0.363 176.273 175.800 0.184 0.000 1.114 234 F CA -0.585 57.550 58.000 0.225 0.000 0.987 234 F CB 1.946 41.088 39.000 0.237 0.000 1.130 234 F HN 0.410 nan 8.300 nan 0.000 0.458 235 A N 2.904 125.881 122.820 0.262 0.000 2.475 235 A HA 0.629 4.949 4.320 -0.000 0.000 0.301 235 A C -1.269 176.113 177.584 -0.335 0.000 1.059 235 A CA -0.780 51.254 52.037 -0.005 0.000 0.710 235 A CB 1.736 20.655 19.000 -0.135 0.000 1.288 235 A HN 0.728 nan 8.150 nan 0.000 0.408 236 Q N 1.024 120.572 119.800 -0.421 0.000 2.256 236 Q HA 0.428 4.768 4.340 -0.000 0.000 0.254 236 Q C -0.182 175.709 176.000 -0.183 0.000 0.916 236 Q CA -0.531 54.880 55.803 -0.653 0.000 0.932 236 Q CB 0.964 29.439 28.738 -0.438 0.000 1.207 236 Q HN 0.747 nan 8.270 nan 0.000 0.426 237 Q N 2.168 121.865 119.800 -0.173 0.000 2.395 237 Q HA 0.015 4.354 4.340 -0.000 0.000 0.271 237 Q C -0.647 175.293 176.000 -0.100 0.000 1.026 237 Q CA 0.163 55.903 55.803 -0.105 0.000 0.900 237 Q CB 0.571 29.243 28.738 -0.110 0.000 1.266 237 Q HN 0.570 nan 8.270 nan 0.000 0.430 238 N N 4.620 123.237 118.700 -0.138 0.000 2.416 238 N HA 0.052 4.792 4.740 -0.000 0.000 0.265 238 N C -1.977 173.478 175.510 -0.092 0.000 1.195 238 N CA -1.565 51.424 53.050 -0.102 0.000 0.943 238 N CB 0.823 39.232 38.487 -0.131 0.000 1.115 238 N HN 0.415 nan 8.380 nan 0.000 0.481 239 P HA -0.172 nan 4.420 nan 0.000 0.217 239 P C 0.274 177.540 177.300 -0.057 0.000 1.148 239 P CA 1.221 64.298 63.100 -0.038 0.000 0.828 239 P CB 0.439 32.130 31.700 -0.015 0.000 0.783 240 D N -0.277 120.081 120.400 -0.069 0.000 2.144 240 D HA -0.096 4.544 4.640 -0.000 0.000 0.199 240 D C 2.040 178.278 176.300 -0.104 0.000 0.984 240 D CA 0.741 54.693 54.000 -0.081 0.000 0.834 240 D CB -0.780 39.976 40.800 -0.074 0.000 0.955 240 D HN 0.048 nan 8.370 nan 0.000 0.465 241 V N 0.855 120.692 119.914 -0.129 0.000 2.719 241 V HA -0.108 4.012 4.120 -0.000 0.000 0.252 241 V C 2.169 178.193 176.094 -0.117 0.000 1.065 241 V CA 0.688 62.888 62.300 -0.166 0.000 1.086 241 V CB -0.137 31.533 31.823 -0.254 0.000 0.700 241 V HN 0.119 nan 8.190 nan 0.000 0.467 242 I N -0.118 120.403 120.570 -0.081 0.000 2.252 242 I HA -0.138 4.032 4.170 -0.000 0.000 0.245 242 I C 1.775 177.935 176.117 0.071 0.000 1.102 242 I CA 1.468 62.763 61.300 -0.008 0.000 1.385 242 I CB -0.497 37.508 38.000 0.009 0.000 1.064 242 I HN 0.278 nan 8.210 nan 0.000 0.414 243 D N 0.764 121.139 120.400 -0.040 0.000 2.390 243 D HA -0.095 4.545 4.640 -0.000 0.000 0.235 243 D C 1.547 177.706 176.300 -0.235 0.000 1.040 243 D CA 0.709 54.583 54.000 -0.210 0.000 0.923 243 D CB 0.097 40.764 40.800 -0.222 0.000 0.886 243 D HN 0.392 nan 8.370 nan 0.000 0.532 244 Q N -1.228 118.563 119.800 -0.015 0.000 2.189 244 Q HA 0.269 4.608 4.340 -0.000 0.000 0.223 244 Q C 1.237 177.336 176.000 0.165 0.000 0.828 244 Q CA 0.140 55.962 55.803 0.031 0.000 0.967 244 Q CB 1.724 30.433 28.738 -0.049 0.000 1.139 244 Q HN 0.285 nan 8.270 nan 0.000 0.497 245 G N -0.008 108.953 108.800 0.268 0.000 2.229 245 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.189 245 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.189 245 G C 0.128 175.044 174.900 0.026 0.000 1.000 245 G CA -0.095 45.097 45.100 0.153 0.000 0.663 245 G HN 0.138 nan 8.290 nan 0.000 0.493 246 V N 3.681 123.550 119.914 -0.075 0.000 2.229 246 V HA 0.325 4.445 4.120 -0.000 0.000 0.245 246 V C 1.499 177.458 176.094 -0.225 0.000 1.243 246 V CA 0.554 62.694 62.300 -0.266 0.000 1.176 246 V CB -1.297 30.364 31.823 -0.269 0.000 1.323 246 V HN 0.489 nan 8.190 nan 0.000 0.499 247 F N 0.798 120.633 119.950 -0.192 0.000 2.710 247 F HA 0.299 4.826 4.527 -0.000 0.000 0.298 247 F C 0.863 176.509 175.800 -0.258 0.000 1.137 247 F CA -0.187 57.658 58.000 -0.259 0.000 1.444 247 F CB -0.577 38.185 39.000 -0.397 0.000 1.111 247 F HN 0.399 nan 8.300 nan 0.000 0.580 248 H N -0.378 118.462 119.070 -0.383 0.000 2.895 248 H HA 0.200 4.756 4.556 -0.000 0.000 0.373 248 H C 0.627 175.792 175.328 -0.272 0.000 1.174 248 H CA -0.737 55.184 56.048 -0.212 0.000 1.144 248 H CB 1.364 31.009 29.762 -0.195 0.000 1.793 248 H HN -0.102 nan 8.280 nan 0.000 0.551 249 N N 1.309 119.996 118.700 -0.021 0.000 2.223 249 N HA -0.156 4.584 4.740 -0.000 0.000 0.185 249 N C 0.555 175.976 175.510 -0.148 0.000 1.016 249 N CA 1.434 54.421 53.050 -0.106 0.000 0.863 249 N CB 0.103 38.583 38.487 -0.011 0.000 0.983 249 N HN 0.696 nan 8.380 nan 0.000 0.429 250 D N 0.085 120.420 120.400 -0.107 0.000 2.348 250 D HA -0.035 4.604 4.640 -0.000 0.000 0.248 250 D C 1.169 177.338 176.300 -0.219 0.000 1.142 250 D CA 0.161 54.098 54.000 -0.105 0.000 0.904 250 D CB 0.018 40.789 40.800 -0.049 0.000 0.901 250 D HN 0.091 nan 8.370 nan 0.000 0.523 251 V N -0.408 119.299 119.914 -0.346 0.000 3.528 251 V HA 0.221 4.341 4.120 -0.000 0.000 0.294 251 V C 1.109 176.998 176.094 -0.342 0.000 1.404 251 V CA 0.095 62.078 62.300 -0.528 0.000 1.065 251 V CB 0.248 31.631 31.823 -0.733 0.000 0.904 251 V HN 0.169 nan 8.190 nan 0.000 0.435 252 I N -0.424 119.940 120.570 -0.342 0.000 4.620 252 I HA 0.703 4.873 4.170 -0.000 0.000 0.347 252 I C 0.224 175.824 176.117 -0.863 0.000 1.302 252 I CA 0.435 61.389 61.300 -0.576 0.000 1.277 252 I CB 0.967 38.616 38.000 -0.585 0.000 1.566 252 I HN 0.104 nan 8.210 nan 0.000 0.547 253 A N -0.364 122.213 122.820 -0.404 0.000 2.599 253 A HA 0.776 5.096 4.320 -0.000 0.000 0.294 253 A C -1.934 175.676 177.584 0.043 0.000 1.055 253 A CA -0.293 51.604 52.037 -0.233 0.000 0.683 253 A CB 1.414 20.307 19.000 -0.178 0.000 1.278 253 A HN 0.201 nan 8.150 nan 0.000 0.412 254 V N 1.244 121.264 119.914 0.176 0.000 2.969 254 V HA 0.820 4.939 4.120 -0.000 0.000 0.304 254 V C -0.468 175.755 176.094 0.214 0.000 1.192 254 V CA 0.375 62.793 62.300 0.196 0.000 0.962 254 V CB 2.375 34.346 31.823 0.247 0.000 1.045 254 V HN 2.044 nan 8.190 nan 0.000 0.428 255 S N 4.276 120.067 115.700 0.152 0.000 2.648 255 S HA 0.871 5.341 4.470 -0.000 0.000 0.305 255 S C -0.752 173.924 174.600 0.127 0.000 1.094 255 S CA -0.733 57.550 58.200 0.139 0.000 0.983 255 S CB 1.920 65.185 63.200 0.108 0.000 1.101 255 S HN 1.265 nan 8.310 nan 0.000 0.514 256 N N -0.063 118.703 118.700 0.111 0.000 3.270 256 N HA 0.298 5.038 4.740 -0.000 0.000 0.227 256 N C -0.225 175.311 175.510 0.043 0.000 1.071 256 N CA -0.227 52.893 53.050 0.117 0.000 1.073 256 N CB 0.676 39.230 38.487 0.112 0.000 1.633 256 N HN 0.730 nan 8.380 nan 0.000 0.664 257 R N 0.421 120.927 120.500 0.009 0.000 3.982 257 R HA -0.211 4.129 4.340 -0.000 0.000 0.360 257 R C 0.719 177.005 176.300 -0.022 0.000 0.241 257 R CA 1.778 57.818 56.100 -0.099 0.000 1.177 257 R CB -1.437 28.755 30.300 -0.180 0.000 1.024 257 R HN 0.860 nan 8.270 nan 0.000 0.550 258 Q N 1.959 121.731 119.800 -0.047 0.000 2.360 258 Q HA 0.178 4.517 4.340 -0.000 0.000 0.202 258 Q C 0.358 176.291 176.000 -0.111 0.000 0.915 258 Q CA 0.526 56.321 55.803 -0.013 0.000 0.943 258 Q CB 0.381 29.103 28.738 -0.027 0.000 1.064 258 Q HN 0.277 nan 8.270 nan 0.000 0.511 259 V N 2.262 122.119 119.914 -0.094 0.000 2.481 259 V HA 0.318 4.438 4.120 -0.000 0.000 0.286 259 V C -0.603 175.476 176.094 -0.025 0.000 1.042 259 V CA -0.848 61.372 62.300 -0.134 0.000 0.928 259 V CB 1.495 33.274 31.823 -0.074 0.000 0.986 259 V HN 0.317 nan 8.190 nan 0.000 0.462 260 L N 6.272 127.462 121.223 -0.055 0.000 2.366 260 L HA 0.538 4.878 4.340 -0.000 0.000 0.266 260 L C -1.004 175.999 176.870 0.221 0.000 1.010 260 L CA -0.232 54.692 54.840 0.141 0.000 0.879 260 L CB 0.936 43.159 42.059 0.272 0.000 1.228 260 L HN 0.528 nan 8.230 nan 0.000 0.439 261 F N 6.536 126.554 119.950 0.114 0.000 2.421 261 F HA 0.611 5.138 4.527 -0.001 0.000 0.358 261 F C 0.053 176.010 175.800 0.261 0.000 1.115 261 F CA -0.859 57.261 58.000 0.200 0.000 1.160 261 F CB 0.232 39.360 39.000 0.212 0.000 1.123 261 F HN 0.729 nan 8.300 nan 0.000 0.508 262 C N 4.993 124.228 119.300 -0.108 0.000 3.285 262 C HA 0.449 4.909 4.460 -0.000 0.000 0.325 262 C C -0.456 174.164 174.990 -0.616 0.000 1.304 262 C CA -0.969 57.739 59.018 -0.516 0.000 1.319 262 C CB 1.287 28.934 27.740 -0.155 0.000 1.640 262 C HN 0.891 nan 8.230 nan 0.000 0.477 263 H N 0.908 119.258 119.070 -1.199 0.000 2.679 263 H HA 0.138 4.694 4.556 -0.000 0.000 0.369 263 H C 0.942 176.063 175.328 -0.345 0.000 1.178 263 H CA 1.205 56.867 56.048 -0.644 0.000 1.419 263 H CB 1.308 30.659 29.762 -0.685 0.000 1.458 263 H HN 0.960 nan 8.280 nan 0.000 0.605 264 Q N 1.870 121.511 119.800 -0.265 0.000 2.226 264 Q HA -0.136 4.203 4.340 -0.000 0.000 0.204 264 Q C 0.525 176.555 176.000 0.050 0.000 0.975 264 Q CA 1.317 57.075 55.803 -0.075 0.000 0.866 264 Q CB 0.279 28.934 28.738 -0.137 0.000 0.915 264 Q HN 0.664 nan 8.270 nan 0.000 0.440 265 Q N -1.169 118.752 119.800 0.201 0.000 2.211 265 Q HA 0.257 4.597 4.340 -0.000 0.000 0.231 265 Q C 0.872 176.746 176.000 -0.210 0.000 0.865 265 Q CA 0.075 55.871 55.803 -0.012 0.000 0.997 265 Q CB 0.897 29.616 28.738 -0.032 0.000 1.101 265 Q HN 0.333 nan 8.270 nan 0.000 0.468 266 A N 0.342 122.958 122.820 -0.340 0.000 1.873 266 A HA 0.003 4.323 4.320 -0.000 0.000 0.215 266 A C 0.341 177.392 177.584 -0.888 0.000 1.186 266 A CA 1.095 52.661 52.037 -0.786 0.000 0.616 266 A CB 0.116 18.396 19.000 -1.199 0.000 0.823 266 A HN 0.311 nan 8.150 nan 0.000 0.442 267 F N -1.964 117.920 119.950 -0.112 0.000 2.575 267 F HA 0.684 5.211 4.527 -0.000 0.000 0.330 267 F C 0.472 176.224 175.800 -0.080 0.000 1.056 267 F CA -1.025 56.913 58.000 -0.103 0.000 0.964 267 F CB 1.396 40.339 39.000 -0.096 0.000 1.258 267 F HN 0.126 nan 8.300 nan 0.000 0.484 268 A N 1.147 124.037 122.820 0.116 0.000 2.363 268 A HA 0.576 4.896 4.320 -0.000 0.000 0.270 268 A C 0.489 178.111 177.584 0.064 0.000 1.121 268 A CA -0.567 51.501 52.037 0.051 0.000 0.800 268 A CB 0.135 19.146 19.000 0.019 0.000 1.052 268 A HN 0.824 nan 8.150 nan 0.000 0.493 269 R N 1.067 121.593 120.500 0.044 0.000 3.422 269 R HA -0.213 4.127 4.340 -0.000 0.000 0.267 269 R C 0.889 177.209 176.300 0.033 0.000 1.074 269 R CA 1.139 57.257 56.100 0.030 0.000 0.718 269 R CB -2.223 28.088 30.300 0.018 0.000 1.157 269 R HN 1.038 nan 8.270 nan 0.000 0.440 270 Q N 0.423 120.267 119.800 0.073 0.000 2.112 270 Q HA -0.142 4.198 4.340 -0.000 0.000 0.206 270 Q C 1.423 177.443 176.000 0.033 0.000 0.987 270 Q CA 2.326 58.187 55.803 0.098 0.000 0.858 270 Q CB 0.048 28.887 28.738 0.168 0.000 0.905 270 Q HN 0.506 nan 8.270 nan 0.000 0.420 271 S N 0.647 116.364 115.700 0.029 0.000 2.368 271 S HA -0.263 4.206 4.470 -0.000 0.000 0.225 271 S C 1.833 176.427 174.600 -0.009 0.000 1.030 271 S CA 1.586 59.796 58.200 0.016 0.000 0.999 271 S CB -0.354 62.856 63.200 0.017 0.000 0.844 271 S HN 0.648 nan 8.310 nan 0.000 0.459 272 Q N 0.775 120.564 119.800 -0.018 0.000 2.119 272 Q HA -0.063 4.277 4.340 -0.000 0.000 0.201 272 Q C 2.162 178.117 176.000 -0.074 0.000 0.972 272 Q CA 1.167 56.949 55.803 -0.035 0.000 0.847 272 Q CB -0.465 28.260 28.738 -0.022 0.000 0.903 272 Q HN 0.429 nan 8.270 nan 0.000 0.433 273 L N 0.865 122.028 121.223 -0.100 0.000 2.017 273 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 273 L C 2.169 178.902 176.870 -0.228 0.000 1.073 273 L CA 1.637 56.365 54.840 -0.187 0.000 0.745 273 L CB -0.482 41.406 42.059 -0.285 0.000 0.894 273 L HN 0.351 nan 8.230 nan 0.000 0.432 274 L N -0.645 120.488 121.223 -0.151 0.000 2.131 274 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 274 L C 2.630 179.416 176.870 -0.140 0.000 1.092 274 L CA 1.062 55.835 54.840 -0.111 0.000 0.759 274 L CB -0.943 41.163 42.059 0.078 0.000 0.903 274 L HN 0.404 nan 8.230 nan 0.000 0.435 275 A N -0.151 122.616 122.820 -0.088 0.000 1.930 275 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 275 A C 2.138 179.647 177.584 -0.125 0.000 1.175 275 A CA 1.490 53.486 52.037 -0.069 0.000 0.627 275 A CB -0.523 18.455 19.000 -0.037 0.000 0.815 275 A HN 0.391 nan 8.150 nan 0.000 0.443 276 N N -0.147 118.458 118.700 -0.157 0.000 2.084 276 N HA -0.125 4.614 4.740 -0.000 0.000 0.190 276 N C 1.576 176.932 175.510 -0.256 0.000 1.030 276 N CA 1.325 54.274 53.050 -0.168 0.000 0.849 276 N CB -0.266 38.127 38.487 -0.156 0.000 1.012 276 N HN 0.267 nan 8.380 nan 0.000 0.423 277 L N 1.696 122.656 121.223 -0.439 0.000 2.056 277 L HA -0.028 4.312 4.340 -0.000 0.000 0.207 277 L C 2.421 178.899 176.870 -0.654 0.000 1.078 277 L CA 1.233 55.639 54.840 -0.724 0.000 0.749 277 L CB -0.927 40.307 42.059 -1.375 0.000 0.901 277 L HN 0.111 nan 8.230 nan 0.000 0.433 278 R N -1.064 119.146 120.500 -0.484 0.000 2.105 278 R HA -0.143 4.197 4.340 -0.000 0.000 0.239 278 R C 2.089 178.365 176.300 -0.040 0.000 1.135 278 R CA 1.382 57.440 56.100 -0.069 0.000 0.967 278 R CB -0.251 30.092 30.300 0.071 0.000 0.861 278 R HN 0.389 nan 8.270 nan 0.000 0.442 279 A N 0.519 123.288 122.820 -0.084 0.000 2.016 279 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 279 A C 1.755 179.309 177.584 -0.051 0.000 1.162 279 A CA 0.702 52.710 52.037 -0.048 0.000 0.662 279 A CB 0.050 19.020 19.000 -0.049 0.000 0.812 279 A HN 0.148 nan 8.150 nan 0.000 0.450 280 R N -0.918 119.529 120.500 -0.089 0.000 2.308 280 R HA 0.219 4.559 4.340 -0.000 0.000 0.202 280 R C -0.616 175.654 176.300 -0.051 0.000 0.898 280 R CA 0.334 56.391 56.100 -0.071 0.000 1.046 280 R CB 0.338 30.582 30.300 -0.094 0.000 1.026 280 R HN 0.271 nan 8.270 nan 0.000 0.512 281 V N 2.623 122.508 119.914 -0.048 0.000 2.349 281 V HA 0.131 4.251 4.120 -0.000 0.000 0.284 281 V C -0.469 175.680 176.094 0.091 0.000 1.014 281 V CA -1.221 61.094 62.300 0.025 0.000 0.826 281 V CB 1.542 33.389 31.823 0.041 0.000 1.009 281 V HN 0.103 nan 8.190 nan 0.000 0.431 282 N N 3.559 122.302 118.700 0.071 0.000 2.454 282 N HA 0.352 5.092 4.740 -0.000 0.000 0.260 282 N C 1.232 176.796 175.510 0.091 0.000 1.218 282 N CA 1.829 54.923 53.050 0.073 0.000 0.904 282 N CB 0.879 39.397 38.487 0.052 0.000 1.065 282 N HN 1.038 nan 8.380 nan 0.000 0.462 283 G N 2.935 111.788 108.800 0.088 0.000 2.162 283 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.260 283 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.260 283 G C 0.220 175.164 174.900 0.073 0.000 0.976 283 G CA 0.144 45.282 45.100 0.064 0.000 0.655 283 G HN 0.693 nan 8.290 nan 0.000 0.533 284 F N 1.083 121.030 119.950 -0.004 0.000 2.623 284 F HA 0.437 4.964 4.527 -0.000 0.000 0.386 284 F C 0.697 176.499 175.800 0.004 0.000 1.068 284 F CA 0.659 58.657 58.000 -0.003 0.000 1.265 284 F CB 0.352 39.346 39.000 -0.009 0.000 1.026 284 F HN 0.188 nan 8.300 nan 0.000 0.568 285 M N 7.547 126.604 119.600 -0.905 0.000 2.093 285 M HA 0.591 5.071 4.480 -0.000 0.000 0.297 285 M C -1.473 174.295 176.300 -0.886 0.000 0.938 285 M CA -0.527 54.377 55.300 -0.661 0.000 0.920 285 M CB 1.190 33.607 32.600 -0.305 0.000 1.517 285 M HN 0.705 nan 8.290 nan 0.000 0.427 286 A N 6.522 128.964 122.820 -0.630 0.000 2.260 286 A HA 0.651 4.971 4.320 -0.000 0.000 0.308 286 A C -0.698 176.866 177.584 -0.034 0.000 1.254 286 A CA -0.569 51.315 52.037 -0.255 0.000 0.874 286 A CB 0.121 19.186 19.000 0.108 0.000 1.153 286 A HN 0.919 nan 8.150 nan 0.000 0.527 287 I N 2.979 123.594 120.570 0.076 0.000 2.347 287 I HA 0.194 4.364 4.170 -0.000 0.000 0.283 287 I C 0.058 176.319 176.117 0.241 0.000 1.058 287 I CA 0.054 61.475 61.300 0.201 0.000 1.202 287 I CB 0.886 39.088 38.000 0.337 0.000 1.386 287 I HN 0.701 nan 8.210 nan 0.000 0.475 288 E N 4.829 125.114 120.200 0.141 0.000 2.197 288 E HA 0.386 4.736 4.350 -0.000 0.000 0.281 288 E C -0.931 175.680 176.600 0.017 0.000 0.995 288 E CA -0.597 55.836 56.400 0.055 0.000 0.808 288 E CB 2.288 32.003 29.700 0.025 0.000 1.093 288 E HN 0.270 nan 8.360 nan 0.000 0.394 289 V N 6.590 126.438 119.914 -0.111 0.000 2.350 289 V HA 0.259 4.379 4.120 -0.000 0.000 0.276 289 V C -1.956 173.839 176.094 -0.499 0.000 1.028 289 V CA -1.772 60.360 62.300 -0.279 0.000 0.860 289 V CB 0.855 32.493 31.823 -0.308 0.000 0.990 289 V HN 0.611 nan 8.190 nan 0.000 0.453 290 P HA 0.195 nan 4.420 nan 0.000 0.274 290 P C 0.558 177.680 177.300 -0.298 0.000 1.231 290 P CA -0.257 62.674 63.100 -0.281 0.000 0.790 290 P CB 1.579 33.202 31.700 -0.128 0.000 0.951 291 A N 2.655 125.388 122.820 -0.145 0.000 2.024 291 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 291 A C 2.056 179.639 177.584 -0.002 0.000 1.164 291 A CA 2.470 54.525 52.037 0.030 0.000 0.643 291 A CB -1.998 17.060 19.000 0.096 0.000 0.806 291 A HN 0.691 nan 8.150 nan 0.000 0.451 292 T N -2.295 112.241 114.554 -0.031 0.000 2.759 292 T HA -0.231 4.119 4.350 -0.000 0.000 0.269 292 T C 1.838 176.529 174.700 -0.015 0.000 1.042 292 T CA 1.724 63.816 62.100 -0.013 0.000 1.140 292 T CB -0.356 68.505 68.868 -0.011 0.000 0.864 292 T HN 0.637 nan 8.240 nan 0.000 0.455 293 Q N 0.224 119.986 119.800 -0.065 0.000 2.204 293 Q HA 0.255 4.594 4.340 -0.000 0.000 0.198 293 Q C -0.038 175.918 176.000 -0.073 0.000 0.946 293 Q CA 0.476 56.239 55.803 -0.066 0.000 0.859 293 Q CB 0.584 29.241 28.738 -0.135 0.000 0.946 293 Q HN 0.401 nan 8.270 nan 0.000 0.474 294 V N 1.459 121.304 119.914 -0.114 0.000 2.567 294 V HA 0.184 4.303 4.120 -0.000 0.000 0.298 294 V C -0.332 175.828 176.094 0.109 0.000 1.047 294 V CA -0.902 61.382 62.300 -0.027 0.000 0.880 294 V CB 1.646 33.401 31.823 -0.113 0.000 1.009 294 V HN 0.226 nan 8.190 nan 0.000 0.429 295 S N 3.320 119.078 115.700 0.096 0.000 2.593 295 S HA 0.342 4.812 4.470 -0.000 0.000 0.269 295 S C 1.175 175.806 174.600 0.051 0.000 1.334 295 S CA -0.334 57.925 58.200 0.098 0.000 1.015 295 S CB 1.646 64.878 63.200 0.052 0.000 0.912 295 S HN 0.436 nan 8.310 nan 0.000 0.541 296 V N 1.878 121.751 119.914 -0.068 0.000 2.407 296 V HA -0.148 3.972 4.120 -0.000 0.000 0.248 296 V C 2.862 178.896 176.094 -0.101 0.000 1.055 296 V CA 2.283 64.444 62.300 -0.232 0.000 1.049 296 V CB -1.165 30.493 31.823 -0.275 0.000 0.662 296 V HN 1.032 nan 8.190 nan 0.000 0.455 297 S N -0.305 115.369 115.700 -0.045 0.000 2.359 297 S HA -0.236 4.234 4.470 -0.000 0.000 0.224 297 S C 1.750 176.344 174.600 -0.010 0.000 1.035 297 S CA 1.919 60.112 58.200 -0.011 0.000 1.018 297 S CB -0.387 62.819 63.200 0.009 0.000 0.876 297 S HN 0.646 nan 8.310 nan 0.000 0.448 298 D N 0.214 120.598 120.400 -0.027 0.000 2.219 298 D HA -0.002 4.638 4.640 -0.000 0.000 0.205 298 D C 1.987 178.230 176.300 -0.095 0.000 0.970 298 D CA 0.932 54.860 54.000 -0.120 0.000 0.851 298 D CB -0.589 40.097 40.800 -0.189 0.000 0.943 298 D HN 0.369 nan 8.370 nan 0.000 0.488 299 T N -0.043 114.502 114.554 -0.016 0.000 2.777 299 T HA -0.068 4.282 4.350 -0.000 0.000 0.266 299 T C 2.142 176.887 174.700 0.076 0.000 1.040 299 T CA 0.659 62.790 62.100 0.051 0.000 1.141 299 T CB -0.058 68.870 68.868 0.100 0.000 0.868 299 T HN -0.007 nan 8.240 nan 0.000 0.444 300 V N 2.090 122.036 119.914 0.054 0.000 2.548 300 V HA -0.112 4.008 4.120 -0.000 0.000 0.249 300 V C 2.725 178.965 176.094 0.242 0.000 1.055 300 V CA 1.782 64.167 62.300 0.141 0.000 1.065 300 V CB -0.730 31.140 31.823 0.078 0.000 0.681 300 V HN 0.625 nan 8.190 nan 0.000 0.462 301 S N 0.771 116.538 115.700 0.111 0.000 2.425 301 S HA -0.148 4.322 4.470 -0.000 0.000 0.225 301 S C 2.005 176.636 174.600 0.052 0.000 1.024 301 S CA 1.367 59.605 58.200 0.064 0.000 0.951 301 S CB -0.501 62.720 63.200 0.034 0.000 0.796 301 S HN 0.700 nan 8.310 nan 0.000 0.498 302 T N -3.991 110.600 114.554 0.063 0.000 3.044 302 T HA 0.126 4.476 4.350 -0.000 0.000 0.255 302 T C 0.383 175.212 174.700 0.214 0.000 1.073 302 T CA 0.354 62.496 62.100 0.071 0.000 1.125 302 T CB -0.737 68.126 68.868 -0.009 0.000 0.908 302 T HN 0.278 nan 8.240 nan 0.000 0.480 303 Y N 0.704 121.001 120.300 -0.004 0.000 3.790 303 Y HA -0.161 4.389 4.550 -0.001 0.000 0.226 303 Y C 1.121 177.033 175.900 0.021 0.000 1.257 303 Y CA -0.260 57.852 58.100 0.019 0.000 1.765 303 Y CB -2.406 36.072 38.460 0.029 0.000 1.552 303 Y HN 0.452 nan 8.280 nan 0.000 0.650 304 L N -2.445 118.812 121.223 0.057 0.000 2.191 304 L HA -0.051 4.289 4.340 -0.000 0.000 0.212 304 L C 1.717 178.497 176.870 -0.150 0.000 1.103 304 L CA 1.925 56.730 54.840 -0.059 0.000 0.769 304 L CB -0.794 41.153 42.059 -0.188 0.000 0.908 304 L HN 0.154 nan 8.230 nan 0.000 0.438 305 F N -0.479 119.490 119.950 0.032 0.000 2.776 305 F HA 0.174 4.701 4.527 -0.000 0.000 0.300 305 F C 1.820 177.589 175.800 -0.052 0.000 1.116 305 F CA 0.172 58.155 58.000 -0.029 0.000 1.375 305 F CB -0.270 38.614 39.000 -0.193 0.000 1.109 305 F HN 0.249 nan 8.300 nan 0.000 0.585 306 N N 0.885 119.605 118.700 0.033 0.000 2.389 306 N HA 0.004 4.744 4.740 -0.000 0.000 0.237 306 N C -0.072 175.506 175.510 0.113 0.000 1.148 306 N CA -0.111 52.934 53.050 -0.009 0.000 0.854 306 N CB 0.226 38.620 38.487 -0.156 0.000 1.115 306 N HN 0.154 nan 8.380 nan 0.000 0.492 307 S N -0.539 115.247 115.700 0.143 0.000 2.693 307 S HA 0.314 4.784 4.470 -0.000 0.000 0.276 307 S C -0.125 174.542 174.600 0.111 0.000 1.192 307 S CA -0.702 57.582 58.200 0.139 0.000 0.994 307 S CB 1.697 64.989 63.200 0.153 0.000 1.012 307 S HN 0.181 nan 8.310 nan 0.000 0.550 308 Q N 0.276 120.116 119.800 0.065 0.000 2.271 308 Q HA 0.490 4.830 4.340 -0.000 0.000 0.258 308 Q C -1.468 174.530 176.000 -0.005 0.000 0.936 308 Q CA -0.773 55.041 55.803 0.019 0.000 0.909 308 Q CB 1.589 30.301 28.738 -0.044 0.000 1.253 308 Q HN 0.521 nan 8.270 nan 0.000 0.440 309 L N 4.881 126.110 121.223 0.010 0.000 2.283 309 L HA 0.396 4.736 4.340 -0.000 0.000 0.281 309 L C -1.367 175.486 176.870 -0.029 0.000 1.033 309 L CA -0.081 54.752 54.840 -0.011 0.000 0.848 309 L CB 0.440 42.522 42.059 0.038 0.000 1.226 309 L HN 0.531 nan 8.230 nan 0.000 0.429 310 L N 2.840 123.998 121.223 -0.109 0.000 2.344 310 L HA 0.575 4.915 4.340 -0.000 0.000 0.272 310 L C 0.381 177.276 176.870 0.042 0.000 1.035 310 L CA -0.642 54.111 54.840 -0.146 0.000 0.807 310 L CB 1.619 43.264 42.059 -0.691 0.000 1.237 310 L HN 0.447 nan 8.230 nan 0.000 0.442 311 S N 1.664 117.493 115.700 0.216 0.000 2.457 311 S HA 0.437 4.907 4.470 -0.000 0.000 0.289 311 S C -0.127 174.656 174.600 0.306 0.000 1.163 311 S CA -0.731 57.589 58.200 0.200 0.000 1.078 311 S CB 1.149 64.423 63.200 0.124 0.000 0.987 311 S HN 0.353 nan 8.310 nan 0.000 0.482 312 R N 1.585 122.188 120.500 0.172 0.000 2.528 312 R HA 0.201 4.541 4.340 -0.000 0.000 0.271 312 R C 0.450 176.747 176.300 -0.005 0.000 1.056 312 R CA -0.488 55.669 56.100 0.096 0.000 1.117 312 R CB 0.414 30.758 30.300 0.073 0.000 1.085 312 R HN 0.602 nan 8.270 nan 0.000 0.530 313 D N 0.356 120.710 120.400 -0.077 0.000 2.203 313 D HA -0.222 4.418 4.640 -0.000 0.000 0.199 313 D C 0.861 177.139 176.300 -0.036 0.000 0.997 313 D CA 1.719 55.674 54.000 -0.075 0.000 0.863 313 D CB 0.065 40.804 40.800 -0.102 0.000 0.928 313 D HN 0.570 nan 8.370 nan 0.000 0.458 314 D N -1.317 119.065 120.400 -0.030 0.000 2.325 314 D HA 0.133 4.773 4.640 -0.000 0.000 0.225 314 D C 1.586 177.871 176.300 -0.025 0.000 1.096 314 D CA 0.596 54.583 54.000 -0.021 0.000 0.844 314 D CB -0.063 40.725 40.800 -0.021 0.000 0.925 314 D HN 0.246 nan 8.370 nan 0.000 0.513 315 G N 0.228 109.008 108.800 -0.034 0.000 2.284 315 G HA2 -0.323 3.636 3.960 -0.000 0.000 0.247 315 G HA3 -0.323 3.636 3.960 -0.000 0.000 0.247 315 G C 0.568 175.439 174.900 -0.049 0.000 1.012 315 G CA 0.501 45.567 45.100 -0.058 0.000 0.618 315 G HN 0.855 nan 8.290 nan 0.000 0.521 316 S N 0.204 115.886 115.700 -0.030 0.000 2.617 316 S HA 0.750 5.220 4.470 -0.000 0.000 0.259 316 S C 0.334 174.926 174.600 -0.014 0.000 1.301 316 S CA 0.160 58.342 58.200 -0.031 0.000 0.984 316 S CB 1.122 64.305 63.200 -0.028 0.000 0.954 316 S HN 0.524 nan 8.310 nan 0.000 0.572 317 M N 1.112 120.695 119.600 -0.029 0.000 2.591 317 M HA 0.480 4.959 4.480 -0.000 0.000 0.306 317 M C -0.664 175.618 176.300 -0.031 0.000 1.190 317 M CA -0.446 54.842 55.300 -0.021 0.000 0.889 317 M CB 2.322 34.890 32.600 -0.054 0.000 1.728 317 M HN 0.786 nan 8.290 nan 0.000 0.458 318 M N 2.398 121.985 119.600 -0.023 0.000 2.456 318 M HA 0.561 5.041 4.480 -0.000 0.000 0.324 318 M C -2.014 174.245 176.300 -0.068 0.000 1.124 318 M CA -0.709 54.572 55.300 -0.032 0.000 0.959 318 M CB 1.712 34.323 32.600 0.018 0.000 1.692 318 M HN 0.675 nan 8.290 nan 0.000 0.444 319 L N 5.198 126.386 121.223 -0.058 0.000 2.276 319 L HA 0.447 4.787 4.340 -0.000 0.000 0.286 319 L C -1.049 175.840 176.870 0.032 0.000 1.024 319 L CA -0.824 53.989 54.840 -0.045 0.000 0.826 319 L CB 1.673 43.677 42.059 -0.092 0.000 1.211 319 L HN 0.493 nan 8.230 nan 0.000 0.422 320 V N 6.189 126.133 119.914 0.050 0.000 2.368 320 V HA 0.314 4.434 4.120 -0.000 0.000 0.266 320 V C 0.211 176.401 176.094 0.160 0.000 1.045 320 V CA -0.161 62.223 62.300 0.140 0.000 0.899 320 V CB 1.103 32.987 31.823 0.101 0.000 1.006 320 V HN 0.516 nan 8.190 nan 0.000 0.470 321 L N 7.738 129.077 121.223 0.194 0.000 2.319 321 L HA 0.670 5.010 4.340 -0.000 0.000 0.267 321 L C -2.394 174.585 176.870 0.181 0.000 1.011 321 L CA -1.996 52.949 54.840 0.176 0.000 0.818 321 L CB 2.580 44.740 42.059 0.169 0.000 1.316 321 L HN 0.366 nan 8.230 nan 0.000 0.432 322 P HA 0.155 nan 4.420 nan 0.000 0.281 322 P C -0.420 176.912 177.300 0.054 0.000 1.249 322 P CA -0.476 62.700 63.100 0.127 0.000 0.810 322 P CB 1.266 33.041 31.700 0.125 0.000 1.008 323 Q N 0.976 120.790 119.800 0.024 0.000 2.156 323 Q HA -0.234 4.106 4.340 -0.000 0.000 0.211 323 Q C 1.713 177.669 176.000 -0.073 0.000 0.995 323 Q CA 1.920 57.691 55.803 -0.053 0.000 0.877 323 Q CB -0.188 28.529 28.738 -0.037 0.000 0.920 323 Q HN 0.588 nan 8.270 nan 0.000 0.416 324 E N -0.089 120.100 120.200 -0.019 0.000 2.396 324 E HA -0.177 4.173 4.350 -0.000 0.000 0.200 324 E C 1.763 178.382 176.600 0.032 0.000 1.023 324 E CA 0.892 57.294 56.400 0.004 0.000 0.857 324 E CB -0.590 29.120 29.700 0.016 0.000 0.775 324 E HN 0.388 nan 8.360 nan 0.000 0.525 325 C N 0.710 120.023 119.300 0.021 0.000 2.464 325 C HA 0.090 4.550 4.460 -0.000 0.000 0.278 325 C C 2.687 177.689 174.990 0.021 0.000 1.375 325 C CA 0.586 59.659 59.018 0.093 0.000 1.761 325 C CB -0.947 26.880 27.740 0.145 0.000 1.944 325 C HN 0.448 nan 8.230 nan 0.000 0.509 326 R N 0.965 121.262 120.500 -0.338 0.000 2.223 326 R HA 0.029 4.369 4.340 -0.000 0.000 0.198 326 R C 1.644 177.643 176.300 -0.502 0.000 0.984 326 R CA 0.865 56.392 56.100 -0.955 0.000 1.018 326 R CB -0.069 29.499 30.300 -1.219 0.000 0.945 326 R HN 0.523 nan 8.270 nan 0.000 0.479 327 E N -0.906 119.169 120.200 -0.208 0.000 2.502 327 E HA -0.080 4.270 4.350 -0.000 0.000 0.194 327 E C -0.560 176.049 176.600 0.015 0.000 1.062 327 E CA 0.162 56.506 56.400 -0.093 0.000 0.867 327 E CB 0.239 29.906 29.700 -0.055 0.000 0.888 327 E HN 0.295 nan 8.360 nan 0.000 0.510 328 H N -0.417 118.657 119.070 0.005 0.000 2.623 328 H HA 0.357 4.913 4.556 -0.000 0.000 0.299 328 H C 0.812 176.229 175.328 0.149 0.000 1.052 328 H CA -0.223 55.870 56.048 0.074 0.000 1.231 328 H CB 1.018 30.834 29.762 0.090 0.000 1.389 328 H HN 0.028 nan 8.280 nan 0.000 0.469 329 A N 3.816 126.582 122.820 -0.090 0.000 1.903 329 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 329 A C 2.431 180.116 177.584 0.168 0.000 1.191 329 A CA 2.002 54.075 52.037 0.060 0.000 0.638 329 A CB -1.288 17.696 19.000 -0.026 0.000 0.823 329 A HN 0.869 nan 8.150 nan 0.000 0.451 330 G N -0.804 108.083 108.800 0.145 0.000 2.480 330 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.216 330 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.216 330 G C 1.546 176.685 174.900 0.397 0.000 1.200 330 G CA 1.410 46.691 45.100 0.301 0.000 0.782 330 G HN 0.368 nan 8.290 nan 0.000 0.554 331 V N -0.119 120.140 119.914 0.575 0.000 2.295 331 V HA -0.175 3.945 4.120 -0.000 0.000 0.246 331 V C 2.267 178.619 176.094 0.430 0.000 1.049 331 V CA 1.843 64.374 62.300 0.386 0.000 1.024 331 V CB -0.674 31.286 31.823 0.228 0.000 0.648 331 V HN 0.627 nan 8.190 nan 0.000 0.447 332 W N 0.953 122.361 121.300 0.181 0.000 2.338 332 W HA -0.176 4.484 4.660 -0.000 0.000 0.304 332 W C 2.221 178.782 176.519 0.070 0.000 1.212 332 W CA 1.198 58.601 57.345 0.098 0.000 1.264 332 W CB -0.290 29.214 29.460 0.073 0.000 1.142 332 W HN 0.375 nan 8.180 nan 0.000 0.512 333 G N -0.607 108.276 108.800 0.138 0.000 2.418 333 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.217 333 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.217 333 G C 1.146 176.022 174.900 -0.039 0.000 1.158 333 G CA 1.174 46.263 45.100 -0.019 0.000 0.771 333 G HN 0.446 nan 8.290 nan 0.000 0.545 334 Y N 0.814 121.112 120.300 -0.003 0.000 2.200 334 Y HA -0.001 4.549 4.550 -0.001 0.000 0.290 334 Y C 2.504 178.371 175.900 -0.055 0.000 1.137 334 Y CA 0.752 58.846 58.100 -0.008 0.000 1.163 334 Y CB -0.197 38.288 38.460 0.042 0.000 0.988 334 Y HN 0.025 nan 8.280 nan 0.000 0.518 335 L N 0.935 121.996 121.223 -0.271 0.000 2.042 335 L HA -0.273 4.067 4.340 -0.000 0.000 0.210 335 L C 2.061 178.628 176.870 -0.505 0.000 1.076 335 L CA 1.786 56.403 54.840 -0.373 0.000 0.749 335 L CB -1.554 40.434 42.059 -0.118 0.000 0.893 335 L HN 0.410 nan 8.230 nan 0.000 0.432 336 N N -0.096 118.262 118.700 -0.570 0.000 2.188 336 N HA -0.172 4.568 4.740 -0.000 0.000 0.184 336 N C 1.714 177.000 175.510 -0.373 0.000 1.018 336 N CA 0.960 53.696 53.050 -0.523 0.000 0.858 336 N CB 0.053 38.186 38.487 -0.589 0.000 0.989 336 N HN 0.482 nan 8.380 nan 0.000 0.426 337 E N 0.543 120.529 120.200 -0.356 0.000 2.072 337 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 337 E C 1.900 178.313 176.600 -0.312 0.000 0.985 337 E CA 0.518 56.755 56.400 -0.270 0.000 0.801 337 E CB -0.074 29.511 29.700 -0.191 0.000 0.750 337 E HN 0.111 nan 8.360 nan 0.000 0.452 338 L N 1.104 122.028 121.223 -0.498 0.000 2.083 338 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 338 L C 2.165 178.856 176.870 -0.299 0.000 1.083 338 L CA 1.213 55.796 54.840 -0.429 0.000 0.752 338 L CB -0.413 41.280 42.059 -0.610 0.000 0.899 338 L HN 0.127 nan 8.230 nan 0.000 0.433 339 L N -0.134 120.902 121.223 -0.311 0.000 2.046 339 L HA -0.054 4.286 4.340 -0.000 0.000 0.208 339 L C 2.407 179.167 176.870 -0.183 0.000 1.077 339 L CA 2.145 56.842 54.840 -0.239 0.000 0.747 339 L CB -1.094 40.813 42.059 -0.254 0.000 0.896 339 L HN 0.256 nan 8.230 nan 0.000 0.432 340 A N -0.252 122.458 122.820 -0.183 0.000 2.016 340 A HA 0.351 4.671 4.320 -0.000 0.000 0.217 340 A C 1.559 179.076 177.584 -0.111 0.000 1.162 340 A CA 0.619 52.575 52.037 -0.135 0.000 0.662 340 A CB -1.095 17.827 19.000 -0.130 0.000 0.812 340 A HN 0.529 nan 8.150 nan 0.000 0.450 341 A N 0.246 122.993 122.820 -0.121 0.000 2.475 341 A HA 0.307 4.627 4.320 -0.000 0.000 0.239 341 A C -0.110 177.426 177.584 -0.079 0.000 1.087 341 A CA 0.100 52.083 52.037 -0.089 0.000 0.779 341 A CB -0.061 18.887 19.000 -0.086 0.000 1.036 341 A HN 0.264 nan 8.150 nan 0.000 0.506 342 D N 0.713 121.078 120.400 -0.058 0.000 2.374 342 D HA 0.405 5.045 4.640 -0.000 0.000 0.240 342 D C -0.337 175.930 176.300 -0.054 0.000 1.229 342 D CA 0.372 54.340 54.000 -0.053 0.000 0.895 342 D CB -0.501 40.276 40.800 -0.039 0.000 1.046 342 D HN 0.658 nan 8.370 nan 0.000 0.498 343 N N 1.056 119.716 118.700 -0.067 0.000 3.261 343 N HA 0.348 5.088 4.740 -0.000 0.000 0.248 343 N C -2.559 172.901 175.510 -0.082 0.000 1.498 343 N CA -0.981 52.026 53.050 -0.073 0.000 0.884 343 N CB 0.348 38.788 38.487 -0.079 0.000 1.428 343 N HN -0.169 nan 8.380 nan 0.000 0.517 344 P HA 0.125 nan 4.420 nan 0.000 0.220 344 P C -0.235 177.005 177.300 -0.099 0.000 1.148 344 P CA 0.849 63.897 63.100 -0.087 0.000 0.803 344 P CB 0.137 31.783 31.700 -0.089 0.000 0.782 345 I N 0.101 120.591 120.570 -0.133 0.000 2.453 345 I HA -0.029 4.141 4.170 -0.000 0.000 0.300 345 I C 0.664 176.701 176.117 -0.133 0.000 1.159 345 I CA 0.573 61.777 61.300 -0.160 0.000 1.379 345 I CB -0.256 37.596 38.000 -0.248 0.000 1.460 345 I HN -0.114 nan 8.210 nan 0.000 0.601 346 S N 4.516 120.159 115.700 -0.095 0.000 2.568 346 S HA 0.184 4.653 4.470 -0.000 0.000 0.232 346 S C 0.231 174.791 174.600 -0.066 0.000 0.975 346 S CA -0.236 57.916 58.200 -0.079 0.000 0.949 346 S CB -0.026 63.139 63.200 -0.057 0.000 0.829 346 S HN 0.712 nan 8.310 nan 0.000 0.479 347 E N 0.906 121.066 120.200 -0.066 0.000 2.381 347 E HA 0.359 4.709 4.350 -0.000 0.000 0.286 347 E C -1.924 174.655 176.600 -0.035 0.000 0.960 347 E CA -0.480 55.896 56.400 -0.040 0.000 0.793 347 E CB 1.038 30.735 29.700 -0.005 0.000 1.225 347 E HN 0.103 nan 8.360 nan 0.000 0.420 348 L N 3.478 124.695 121.223 -0.011 0.000 2.322 348 L HA 0.593 4.933 4.340 -0.000 0.000 0.281 348 L C -0.425 176.488 176.870 0.072 0.000 1.014 348 L CA -0.818 54.047 54.840 0.041 0.000 0.815 348 L CB 1.747 43.856 42.059 0.083 0.000 1.247 348 L HN 0.406 nan 8.230 nan 0.000 0.421 349 K N 2.482 122.926 120.400 0.073 0.000 2.426 349 K HA 0.677 4.996 4.320 -0.000 0.000 0.254 349 K C -1.652 174.955 176.600 0.012 0.000 0.936 349 K CA -0.500 55.796 56.287 0.014 0.000 0.801 349 K CB 2.168 34.702 32.500 0.055 0.000 1.139 349 K HN 0.341 nan 8.250 nan 0.000 0.424 350 V N 5.092 124.917 119.914 -0.147 0.000 2.628 350 V HA 0.591 4.711 4.120 -0.000 0.000 0.306 350 V C -0.993 174.899 176.094 -0.337 0.000 1.045 350 V CA -0.621 61.608 62.300 -0.118 0.000 0.905 350 V CB 1.197 32.935 31.823 -0.142 0.000 0.997 350 V HN 0.654 nan 8.190 nan 0.000 0.436 351 F N 1.322 121.271 119.950 -0.003 0.000 2.577 351 F HA 0.464 4.991 4.527 0.000 0.000 0.318 351 F C -0.040 175.760 175.800 0.000 0.000 1.065 351 F CA -0.887 57.115 58.000 0.003 0.000 0.929 351 F CB 1.705 40.715 39.000 0.017 0.000 1.237 351 F HN 0.435 nan 8.300 nan 0.000 0.468 352 D N 2.753 123.271 120.400 0.197 0.000 2.411 352 D HA 0.308 4.948 4.640 -0.000 0.000 0.225 352 D C -0.501 175.873 176.300 0.124 0.000 1.156 352 D CA 0.205 54.272 54.000 0.111 0.000 0.874 352 D CB 0.376 41.218 40.800 0.070 0.000 1.034 352 D HN 0.505 nan 8.370 nan 0.000 0.502 353 L N 4.528 125.814 121.223 0.105 0.000 3.168 353 L HA 0.335 4.675 4.340 -0.000 0.000 0.277 353 L C 1.955 178.870 176.870 0.074 0.000 1.308 353 L CA -0.447 54.448 54.840 0.092 0.000 0.976 353 L CB 0.362 42.485 42.059 0.107 0.000 1.383 353 L HN 0.218 nan 8.230 nan 0.000 0.572 354 R N 0.218 120.755 120.500 0.061 0.000 2.091 354 R HA -0.152 4.188 4.340 -0.000 0.000 0.238 354 R C 1.657 178.006 176.300 0.081 0.000 1.136 354 R CA 1.300 57.428 56.100 0.046 0.000 0.959 354 R CB 0.136 30.462 30.300 0.042 0.000 0.856 354 R HN 0.399 nan 8.270 nan 0.000 0.437 355 E N 0.125 120.400 120.200 0.125 0.000 2.051 355 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 355 E C 1.970 178.744 176.600 0.290 0.000 0.991 355 E CA 1.280 57.825 56.400 0.242 0.000 0.799 355 E CB -0.353 29.409 29.700 0.102 0.000 0.748 355 E HN 0.147 nan 8.360 nan 0.000 0.449 356 S N -0.103 115.706 115.700 0.181 0.000 2.383 356 S HA -0.085 4.384 4.470 -0.000 0.000 0.227 356 S C 1.889 176.666 174.600 0.295 0.000 1.026 356 S CA 0.707 59.102 58.200 0.324 0.000 0.981 356 S CB 0.011 63.392 63.200 0.302 0.000 0.818 356 S HN 0.073 nan 8.310 nan 0.000 0.472 357 M N 1.371 121.037 119.600 0.111 0.000 2.213 357 M HA 0.036 4.516 4.480 -0.000 0.000 0.263 357 M C 2.374 178.575 176.300 -0.163 0.000 1.062 357 M CA 1.333 56.590 55.300 -0.073 0.000 1.105 357 M CB -1.735 30.799 32.600 -0.110 0.000 1.385 357 M HN 0.492 nan 8.290 nan 0.000 0.417 358 A N -0.126 122.591 122.820 -0.172 0.000 2.125 358 A HA -0.119 4.200 4.320 -0.000 0.000 0.219 358 A C 1.717 179.154 177.584 -0.245 0.000 1.156 358 A CA 1.359 53.009 52.037 -0.645 0.000 0.671 358 A CB -0.524 18.002 19.000 -0.791 0.000 0.794 358 A HN 0.475 nan 8.150 nan 0.000 0.459 359 N N -1.119 117.675 118.700 0.157 0.000 2.238 359 N HA 0.226 4.965 4.740 -0.000 0.000 0.222 359 N C 0.808 176.275 175.510 -0.072 0.000 1.133 359 N CA 0.855 54.021 53.050 0.194 0.000 0.854 359 N CB 0.640 39.421 38.487 0.490 0.000 1.041 359 N HN 0.530 nan 8.380 nan 0.000 0.510 360 G N -0.477 108.272 108.800 -0.086 0.000 2.132 360 G HA2 -0.159 3.800 3.960 -0.000 0.000 0.228 360 G HA3 -0.159 3.800 3.960 -0.000 0.000 0.228 360 G C 0.227 175.144 174.900 0.028 0.000 1.000 360 G CA -0.057 45.022 45.100 -0.036 0.000 0.693 360 G HN 0.539 nan 8.290 nan 0.000 0.515 361 G N -0.658 108.115 108.800 -0.045 0.000 2.609 361 G HA2 0.804 4.764 3.960 -0.000 0.000 0.308 361 G HA3 0.804 4.764 3.960 -0.000 0.000 0.308 361 G C 0.349 175.412 174.900 0.272 0.000 1.369 361 G CA 0.408 45.572 45.100 0.106 0.000 0.958 361 G HN 1.033 nan 8.290 nan 0.000 0.499 362 G N 1.635 110.672 108.800 0.396 0.000 2.736 362 G HA2 0.621 4.581 3.960 -0.000 0.000 0.229 362 G HA3 0.621 4.581 3.960 -0.000 0.000 0.229 362 G C -1.371 173.678 174.900 0.249 0.000 1.380 362 G CA -1.126 44.174 45.100 0.333 0.000 1.040 362 G HN 0.338 nan 8.290 nan 0.000 0.568 363 P HA -0.114 nan 4.420 nan 0.000 0.214 363 P C 2.116 179.476 177.300 0.101 0.000 1.163 363 P CA 2.565 65.726 63.100 0.102 0.000 0.889 363 P CB 0.069 31.818 31.700 0.081 0.000 0.790 364 A N -0.100 122.790 122.820 0.116 0.000 1.930 364 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 364 A C 2.352 180.016 177.584 0.134 0.000 1.175 364 A CA 2.207 54.304 52.037 0.100 0.000 0.627 364 A CB -1.707 17.342 19.000 0.083 0.000 0.815 364 A HN 0.333 nan 8.150 nan 0.000 0.443 365 S N -0.103 115.710 115.700 0.190 0.000 2.442 365 S HA -0.047 4.422 4.470 -0.000 0.000 0.236 365 S C 1.441 176.260 174.600 0.366 0.000 1.007 365 S CA 1.397 59.755 58.200 0.265 0.000 0.965 365 S CB -0.568 62.796 63.200 0.274 0.000 0.773 365 S HN 0.431 nan 8.310 nan 0.000 0.504 366 L N 0.903 122.302 121.223 0.294 0.000 2.611 366 L HA 0.331 4.670 4.340 -0.000 0.000 0.229 366 L C 0.628 177.572 176.870 0.123 0.000 1.137 366 L CA -0.299 54.665 54.840 0.207 0.000 0.901 366 L CB -0.218 41.922 42.059 0.136 0.000 1.098 366 L HN 0.367 nan 8.230 nan 0.000 0.456 367 R N 0.036 120.610 120.500 0.124 0.000 2.725 367 R HA 0.658 4.998 4.340 -0.000 0.000 0.277 367 R C -1.421 174.949 176.300 0.116 0.000 0.987 367 R CA -0.735 55.430 56.100 0.107 0.000 0.901 367 R CB 1.409 31.747 30.300 0.065 0.000 1.207 367 R HN -0.110 nan 8.270 nan 0.000 0.463 368 L N 1.776 123.088 121.223 0.148 0.000 2.316 368 L HA 0.550 4.890 4.340 -0.000 0.000 0.280 368 L C -0.758 176.210 176.870 0.164 0.000 1.006 368 L CA -0.520 54.392 54.840 0.121 0.000 0.836 368 L CB 1.465 43.574 42.059 0.083 0.000 1.221 368 L HN 0.674 nan 8.230 nan 0.000 0.418 369 R N 4.034 124.599 120.500 0.107 0.000 2.351 369 R HA 0.484 4.824 4.340 -0.000 0.000 0.318 369 R C -1.092 175.265 176.300 0.095 0.000 1.055 369 R CA -0.215 55.946 56.100 0.102 0.000 0.968 369 R CB 0.734 31.070 30.300 0.058 0.000 0.974 369 R HN 0.481 nan 8.270 nan 0.000 0.439 370 V N 4.789 124.802 119.914 0.165 0.000 2.380 370 V HA 0.143 4.262 4.120 -0.000 0.000 0.286 370 V C -0.047 176.141 176.094 0.156 0.000 1.015 370 V CA -0.878 61.504 62.300 0.136 0.000 0.834 370 V CB 1.769 33.686 31.823 0.157 0.000 1.009 370 V HN 0.459 nan 8.190 nan 0.000 0.428 371 V N 7.278 127.248 119.914 0.092 0.000 2.439 371 V HA 0.325 4.445 4.120 -0.000 0.000 0.271 371 V C 0.003 176.193 176.094 0.161 0.000 1.040 371 V CA 0.271 62.627 62.300 0.093 0.000 1.002 371 V CB 0.738 32.623 31.823 0.103 0.000 1.000 371 V HN 0.618 nan 8.190 nan 0.000 0.477 372 L N 4.766 126.102 121.223 0.188 0.000 2.381 372 L HA 0.587 4.927 4.340 -0.000 0.000 0.268 372 L C 0.537 177.461 176.870 0.090 0.000 0.997 372 L CA -0.617 54.336 54.840 0.188 0.000 0.818 372 L CB 2.543 44.770 42.059 0.279 0.000 1.310 372 L HN 0.685 nan 8.230 nan 0.000 0.416 373 T N -2.920 111.660 114.554 0.043 0.000 2.788 373 T HA 0.099 4.449 4.350 -0.000 0.000 0.287 373 T C 0.992 175.612 174.700 -0.134 0.000 1.007 373 T CA -0.134 61.935 62.100 -0.051 0.000 1.005 373 T CB 1.284 70.130 68.868 -0.035 0.000 1.012 373 T HN 0.817 nan 8.240 nan 0.000 0.530 374 E N 0.394 120.453 120.200 -0.235 0.000 2.070 374 E HA -0.294 4.056 4.350 -0.000 0.000 0.197 374 E C 1.966 178.480 176.600 -0.142 0.000 1.004 374 E CA 1.920 58.150 56.400 -0.282 0.000 0.805 374 E CB -0.270 29.263 29.700 -0.278 0.000 0.744 374 E HN 0.874 nan 8.360 nan 0.000 0.451 375 E N -0.069 120.072 120.200 -0.099 0.000 2.150 375 E HA -0.203 4.146 4.350 -0.000 0.000 0.193 375 E C 1.904 178.478 176.600 -0.042 0.000 0.985 375 E CA 1.349 57.709 56.400 -0.067 0.000 0.814 375 E CB 0.081 29.740 29.700 -0.069 0.000 0.752 375 E HN 0.432 nan 8.360 nan 0.000 0.466 376 E N -0.102 120.081 120.200 -0.028 0.000 2.107 376 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 376 E C 2.169 178.901 176.600 0.221 0.000 0.982 376 E CA 0.463 56.883 56.400 0.034 0.000 0.809 376 E CB -0.008 29.721 29.700 0.049 0.000 0.756 376 E HN 0.073 nan 8.360 nan 0.000 0.459 377 R N 0.941 121.521 120.500 0.134 0.000 2.103 377 R HA -0.184 4.155 4.340 -0.000 0.000 0.242 377 R C 2.361 178.731 176.300 0.116 0.000 1.142 377 R CA 1.725 57.908 56.100 0.140 0.000 0.960 377 R CB -0.062 30.244 30.300 0.010 0.000 0.858 377 R HN -0.066 nan 8.270 nan 0.000 0.439 378 R N -0.067 120.467 120.500 0.057 0.000 2.148 378 R HA -0.017 4.323 4.340 -0.000 0.000 0.227 378 R C 1.569 177.914 176.300 0.075 0.000 1.103 378 R CA 1.622 57.747 56.100 0.041 0.000 0.983 378 R CB -0.197 30.103 30.300 0.000 0.000 0.874 378 R HN 0.241 nan 8.270 nan 0.000 0.451 379 A N 0.229 123.129 122.820 0.135 0.000 2.208 379 A HA 0.228 4.548 4.320 -0.000 0.000 0.209 379 A C 0.397 178.155 177.584 0.289 0.000 1.161 379 A CA 0.012 52.163 52.037 0.190 0.000 0.782 379 A CB 0.111 19.197 19.000 0.144 0.000 0.816 379 A HN 0.112 nan 8.150 nan 0.000 0.477 380 V N 1.808 121.864 119.914 0.237 0.000 2.811 380 V HA 0.004 4.124 4.120 -0.000 0.000 0.302 380 V C 0.718 176.791 176.094 -0.035 0.000 1.063 380 V CA -0.704 61.614 62.300 0.030 0.000 1.088 380 V CB 0.668 32.507 31.823 0.027 0.000 0.982 380 V HN 0.565 nan 8.190 nan 0.000 0.485 381 N N 5.730 124.350 118.700 -0.133 0.000 2.386 381 N HA 0.004 4.744 4.740 -0.000 0.000 0.273 381 N C -1.635 173.833 175.510 -0.070 0.000 1.331 381 N CA -1.014 51.978 53.050 -0.097 0.000 0.891 381 N CB 1.300 39.704 38.487 -0.139 0.000 1.139 381 N HN 0.344 nan 8.380 nan 0.000 0.487 382 P HA -0.100 nan 4.420 nan 0.000 0.218 382 P C 0.748 178.023 177.300 -0.042 0.000 1.148 382 P CA 1.167 64.248 63.100 -0.031 0.000 0.822 382 P CB 0.136 31.827 31.700 -0.017 0.000 0.784 383 A N -0.447 122.344 122.820 -0.049 0.000 2.125 383 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 383 A C 1.879 179.426 177.584 -0.063 0.000 1.156 383 A CA 1.788 53.793 52.037 -0.052 0.000 0.671 383 A CB -1.352 17.614 19.000 -0.057 0.000 0.794 383 A HN 0.260 nan 8.150 nan 0.000 0.459 384 V N -4.379 115.492 119.914 -0.071 0.000 3.621 384 V HA 0.296 4.416 4.120 -0.000 0.000 0.285 384 V C 0.426 176.459 176.094 -0.101 0.000 1.346 384 V CA -0.436 61.820 62.300 -0.074 0.000 1.104 384 V CB -0.626 31.165 31.823 -0.053 0.000 0.913 384 V HN 0.286 nan 8.190 nan 0.000 0.432 385 M N 1.834 121.375 119.600 -0.097 0.000 2.217 385 M HA 0.450 4.930 4.480 -0.000 0.000 0.354 385 M C -0.116 176.136 176.300 -0.081 0.000 1.225 385 M CA -0.371 54.858 55.300 -0.118 0.000 1.137 385 M CB 0.647 33.202 32.600 -0.076 0.000 1.576 385 M HN 0.362 nan 8.290 nan 0.000 0.461 386 M N 4.990 124.533 119.600 -0.094 0.000 2.228 386 M HA 0.248 4.728 4.480 -0.000 0.000 0.351 386 M C -0.534 175.745 176.300 -0.034 0.000 1.233 386 M CA 0.393 55.661 55.300 -0.052 0.000 1.129 386 M CB -0.177 32.381 32.600 -0.071 0.000 1.604 386 M HN 0.815 nan 8.290 nan 0.000 0.457 387 N N 1.408 120.107 118.700 -0.000 0.000 3.356 387 N HA 0.308 5.048 4.740 -0.000 0.000 0.246 387 N C -0.614 174.932 175.510 0.060 0.000 1.480 387 N CA -0.666 52.387 53.050 0.005 0.000 0.877 387 N CB 0.123 38.614 38.487 0.007 0.000 1.431 387 N HN 0.430 nan 8.380 nan 0.000 0.500 388 D N -0.137 120.298 120.400 0.059 0.000 2.116 388 D HA -0.135 4.505 4.640 -0.000 0.000 0.193 388 D C 1.171 177.557 176.300 0.144 0.000 0.998 388 D CA 2.332 56.406 54.000 0.124 0.000 0.836 388 D CB -0.617 40.233 40.800 0.083 0.000 0.951 388 D HN 0.673 nan 8.370 nan 0.000 0.449 389 T N 1.448 116.052 114.554 0.083 0.000 2.607 389 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 389 T C 1.951 176.689 174.700 0.064 0.000 1.049 389 T CA 0.902 63.038 62.100 0.061 0.000 1.162 389 T CB -0.496 68.393 68.868 0.035 0.000 0.863 389 T HN 0.031 nan 8.240 nan 0.000 0.424 390 L N 0.459 121.721 121.223 0.065 0.000 2.046 390 L HA 0.069 4.409 4.340 -0.000 0.000 0.208 390 L C 2.029 178.961 176.870 0.104 0.000 1.077 390 L CA 1.507 56.378 54.840 0.052 0.000 0.747 390 L CB -0.923 41.154 42.059 0.029 0.000 0.896 390 L HN 0.220 nan 8.230 nan 0.000 0.432 391 F N 0.709 120.652 119.950 -0.013 0.000 2.069 391 F HA -0.257 4.269 4.527 -0.000 0.000 0.298 391 F C 2.340 178.147 175.800 0.012 0.000 1.113 391 F CA 2.001 59.999 58.000 -0.003 0.000 1.214 391 F CB -0.620 38.380 39.000 -0.001 0.000 0.978 391 F HN 0.252 nan 8.300 nan 0.000 0.474 392 N N 0.777 119.459 118.700 -0.029 0.000 2.166 392 N HA -0.151 4.588 4.740 -0.000 0.000 0.186 392 N C 2.014 177.470 175.510 -0.090 0.000 1.019 392 N CA 1.494 54.464 53.050 -0.134 0.000 0.856 392 N CB -0.890 37.592 38.487 -0.009 0.000 0.993 392 N HN 0.434 nan 8.380 nan 0.000 0.426 393 A N 1.071 123.879 122.820 -0.020 0.000 1.898 393 A HA -0.055 4.265 4.320 -0.000 0.000 0.216 393 A C 2.134 179.744 177.584 0.043 0.000 1.181 393 A CA 0.917 52.963 52.037 0.015 0.000 0.620 393 A CB -0.522 18.486 19.000 0.013 0.000 0.819 393 A HN 0.096 nan 8.150 nan 0.000 0.442 394 L N 0.545 121.770 121.223 0.003 0.000 2.093 394 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 394 L C 1.982 178.895 176.870 0.071 0.000 1.085 394 L CA 1.484 56.356 54.840 0.053 0.000 0.755 394 L CB -1.259 40.803 42.059 0.006 0.000 0.904 394 L HN 0.366 nan 8.230 nan 0.000 0.435 395 N N -0.432 118.198 118.700 -0.116 0.000 2.216 395 N HA -0.143 4.597 4.740 -0.000 0.000 0.183 395 N C 1.403 176.870 175.510 -0.071 0.000 1.017 395 N CA 1.048 53.993 53.050 -0.176 0.000 0.861 395 N CB -0.063 38.191 38.487 -0.387 0.000 0.986 395 N HN 0.353 nan 8.380 nan 0.000 0.428 396 D N -0.429 119.963 120.400 -0.013 0.000 2.149 396 D HA -0.126 4.514 4.640 -0.000 0.000 0.201 396 D C 1.734 178.103 176.300 0.115 0.000 0.972 396 D CA 0.395 54.410 54.000 0.025 0.000 0.835 396 D CB -0.237 40.584 40.800 0.035 0.000 0.966 396 D HN 0.326 nan 8.370 nan 0.000 0.476 397 W N 1.908 123.215 121.300 0.011 0.000 2.358 397 W HA -0.217 4.443 4.660 -0.000 0.000 0.303 397 W C 2.029 178.650 176.519 0.171 0.000 1.208 397 W CA 1.193 58.621 57.345 0.139 0.000 1.274 397 W CB -0.408 29.121 29.460 0.116 0.000 1.138 397 W HN -0.252 nan 8.180 nan 0.000 0.515 398 V N 1.111 121.035 119.914 0.016 0.000 2.295 398 V HA -0.318 3.801 4.120 -0.000 0.000 0.246 398 V C 2.089 178.083 176.094 -0.167 0.000 1.049 398 V CA 2.402 64.489 62.300 -0.355 0.000 1.024 398 V CB -1.030 30.524 31.823 -0.448 0.000 0.648 398 V HN 0.075 nan 8.190 nan 0.000 0.447 399 D N -0.107 120.227 120.400 -0.110 0.000 2.182 399 D HA -0.142 4.498 4.640 -0.000 0.000 0.201 399 D C 2.407 178.633 176.300 -0.122 0.000 0.986 399 D CA 1.170 55.116 54.000 -0.090 0.000 0.847 399 D CB -0.196 40.558 40.800 -0.076 0.000 0.942 399 D HN 0.435 nan 8.370 nan 0.000 0.467 400 R N -0.957 119.435 120.500 -0.179 0.000 2.119 400 R HA -0.031 4.308 4.340 -0.000 0.000 0.222 400 R C 1.467 177.424 176.300 -0.572 0.000 1.088 400 R CA 0.791 56.657 56.100 -0.390 0.000 0.984 400 R CB 0.044 30.042 30.300 -0.503 0.000 0.884 400 R HN 0.325 nan 8.270 nan 0.000 0.447 401 Y N -2.316 117.858 120.300 -0.211 0.000 2.467 401 Y HA 0.193 4.743 4.550 -0.000 0.000 0.259 401 Y C 0.012 175.804 175.900 -0.180 0.000 1.084 401 Y CA -0.623 57.335 58.100 -0.237 0.000 1.275 401 Y CB 0.395 38.590 38.460 -0.440 0.000 1.208 401 Y HN -0.157 nan 8.280 nan 0.000 0.511 402 Y N 1.962 122.151 120.300 -0.184 0.000 2.309 402 Y HA 0.355 4.905 4.550 -0.000 0.000 0.327 402 Y C 0.633 176.479 175.900 -0.091 0.000 1.172 402 Y CA -1.220 56.797 58.100 -0.138 0.000 1.280 402 Y CB 0.470 38.847 38.460 -0.139 0.000 1.234 402 Y HN -0.154 nan 8.280 nan 0.000 0.512 403 R N 1.716 122.232 120.500 0.028 0.000 2.528 403 R HA 0.145 4.485 4.340 -0.000 0.000 0.271 403 R C -0.010 176.323 176.300 0.055 0.000 1.056 403 R CA -0.596 55.513 56.100 0.014 0.000 1.117 403 R CB 0.706 30.991 30.300 -0.024 0.000 1.085 403 R HN 0.674 nan 8.270 nan 0.000 0.530 404 D N 1.082 121.505 120.400 0.038 0.000 2.333 404 D HA -0.020 4.620 4.640 -0.000 0.000 0.208 404 D C 0.361 176.697 176.300 0.060 0.000 0.984 404 D CA 0.860 54.890 54.000 0.050 0.000 0.873 404 D CB 0.339 41.157 40.800 0.031 0.000 0.935 404 D HN 0.425 nan 8.370 nan 0.000 0.521 405 R N -0.361 120.166 120.500 0.045 0.000 2.740 405 R HA 0.667 5.007 4.340 -0.000 0.000 0.273 405 R C -1.771 174.546 176.300 0.028 0.000 0.998 405 R CA -0.916 55.214 56.100 0.050 0.000 0.900 405 R CB 1.752 32.075 30.300 0.038 0.000 1.223 405 R HN -0.085 nan 8.270 nan 0.000 0.466 406 L N 0.710 121.954 121.223 0.035 0.000 2.612 406 L HA 0.632 4.972 4.340 -0.000 0.000 0.256 406 L C -1.625 175.254 176.870 0.015 0.000 0.949 406 L CA 0.239 55.079 54.840 0.000 0.000 0.867 406 L CB 2.848 44.896 42.059 -0.018 0.000 1.417 406 L HN 1.062 nan 8.230 nan 0.000 0.414 407 T N 0.457 114.998 114.554 -0.021 0.000 2.883 407 T HA 0.667 5.017 4.350 -0.000 0.000 0.301 407 T C 0.831 175.482 174.700 -0.082 0.000 1.158 407 T CA -0.227 61.869 62.100 -0.005 0.000 1.007 407 T CB 1.508 70.365 68.868 -0.017 0.000 1.186 407 T HN 0.812 nan 8.240 nan 0.000 0.499 408 A N 0.983 123.770 122.820 -0.054 0.000 1.958 408 A HA 0.041 4.361 4.320 -0.000 0.000 0.221 408 A C 2.506 180.000 177.584 -0.151 0.000 1.178 408 A CA 2.411 54.379 52.037 -0.116 0.000 0.642 408 A CB -1.478 17.526 19.000 0.007 0.000 0.816 408 A HN 1.349 nan 8.150 nan 0.000 0.453 409 A N -0.144 122.588 122.820 -0.147 0.000 1.940 409 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 409 A C 1.691 179.208 177.584 -0.111 0.000 1.176 409 A CA 1.801 53.761 52.037 -0.128 0.000 0.631 409 A CB -0.516 18.411 19.000 -0.122 0.000 0.814 409 A HN 0.535 nan 8.150 nan 0.000 0.446 410 D N 0.111 120.443 120.400 -0.112 0.000 2.269 410 D HA -0.046 4.594 4.640 -0.000 0.000 0.208 410 D C 1.695 177.920 176.300 -0.125 0.000 0.963 410 D CA 0.601 54.538 54.000 -0.105 0.000 0.864 410 D CB -0.269 40.474 40.800 -0.094 0.000 0.936 410 D HN 0.499 nan 8.370 nan 0.000 0.505 411 L N 0.595 121.721 121.223 -0.162 0.000 2.447 411 L HA -0.108 4.231 4.340 -0.000 0.000 0.225 411 L C 2.221 179.016 176.870 -0.125 0.000 1.148 411 L CA 0.574 55.309 54.840 -0.174 0.000 0.808 411 L CB -0.380 41.537 42.059 -0.237 0.000 0.928 411 L HN -0.028 nan 8.230 nan 0.000 0.448 412 A N -1.471 121.285 122.820 -0.107 0.000 2.195 412 A HA -0.051 4.269 4.320 -0.000 0.000 0.210 412 A C 0.839 178.377 177.584 -0.077 0.000 1.165 412 A CA -0.120 51.864 52.037 -0.087 0.000 0.806 412 A CB -0.152 18.801 19.000 -0.078 0.000 0.847 412 A HN 0.246 nan 8.150 nan 0.000 0.482 413 D N 1.337 121.689 120.400 -0.080 0.000 2.402 413 D HA 0.035 4.675 4.640 -0.000 0.000 0.268 413 D C -1.158 175.099 176.300 -0.071 0.000 1.294 413 D CA -1.633 52.325 54.000 -0.071 0.000 0.945 413 D CB 0.974 41.731 40.800 -0.073 0.000 1.112 413 D HN 0.172 nan 8.370 nan 0.000 0.517 414 P HA -0.225 nan 4.420 nan 0.000 0.219 414 P C 1.201 178.464 177.300 -0.062 0.000 1.146 414 P CA 0.995 64.059 63.100 -0.058 0.000 0.808 414 P CB 0.443 32.116 31.700 -0.045 0.000 0.779 415 Q N 0.157 119.922 119.800 -0.059 0.000 2.119 415 Q HA -0.133 4.207 4.340 -0.000 0.000 0.201 415 Q C 2.169 178.126 176.000 -0.072 0.000 0.972 415 Q CA 1.010 56.779 55.803 -0.057 0.000 0.847 415 Q CB -1.276 27.432 28.738 -0.051 0.000 0.903 415 Q HN 0.116 nan 8.270 nan 0.000 0.433 416 L N -0.198 120.974 121.223 -0.085 0.000 2.042 416 L HA -0.127 4.213 4.340 -0.000 0.000 0.210 416 L C 2.063 178.859 176.870 -0.123 0.000 1.076 416 L CA 1.679 56.455 54.840 -0.107 0.000 0.749 416 L CB -0.832 41.159 42.059 -0.114 0.000 0.893 416 L HN 0.464 nan 8.230 nan 0.000 0.432 417 L N -0.390 120.764 121.223 -0.115 0.000 2.042 417 L HA -0.200 4.139 4.340 -0.000 0.000 0.210 417 L C 2.665 179.442 176.870 -0.155 0.000 1.076 417 L CA 1.736 56.497 54.840 -0.133 0.000 0.749 417 L CB -0.614 41.379 42.059 -0.109 0.000 0.893 417 L HN 0.259 nan 8.230 nan 0.000 0.432 418 R N -0.394 120.037 120.500 -0.115 0.000 2.066 418 R HA -0.147 4.193 4.340 -0.000 0.000 0.232 418 R C 2.088 178.328 176.300 -0.099 0.000 1.131 418 R CA 1.707 57.745 56.100 -0.102 0.000 0.955 418 R CB -0.523 29.742 30.300 -0.057 0.000 0.851 418 R HN 0.517 nan 8.270 nan 0.000 0.432 419 E N 0.011 120.169 120.200 -0.071 0.000 2.097 419 E HA -0.192 4.157 4.350 -0.000 0.000 0.196 419 E C 2.113 178.634 176.600 -0.132 0.000 1.000 419 E CA 1.322 57.710 56.400 -0.020 0.000 0.804 419 E CB -0.314 29.368 29.700 -0.030 0.000 0.740 419 E HN 0.508 nan 8.360 nan 0.000 0.454 420 G N 1.229 109.904 108.800 -0.208 0.000 2.421 420 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.216 420 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.216 420 G C 1.583 176.273 174.900 -0.351 0.000 1.171 420 G CA 0.344 45.275 45.100 -0.281 0.000 0.775 420 G HN 0.004 nan 8.290 nan 0.000 0.543 421 R N 0.515 120.760 120.500 -0.425 0.000 2.073 421 R HA -0.064 4.276 4.340 -0.000 0.000 0.234 421 R C 2.370 178.482 176.300 -0.314 0.000 1.134 421 R CA 1.497 57.185 56.100 -0.687 0.000 0.952 421 R CB -0.942 28.977 30.300 -0.635 0.000 0.850 421 R HN 0.626 nan 8.270 nan 0.000 0.433 422 E N 0.473 120.565 120.200 -0.179 0.000 2.077 422 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 422 E C 1.913 178.371 176.600 -0.236 0.000 0.989 422 E CA 1.161 57.517 56.400 -0.073 0.000 0.800 422 E CB -0.040 29.694 29.700 0.056 0.000 0.746 422 E HN 0.292 nan 8.360 nan 0.000 0.452 423 A N 1.291 123.761 122.820 -0.584 0.000 1.883 423 A HA -0.192 4.127 4.320 -0.000 0.000 0.217 423 A C 2.244 179.882 177.584 0.091 0.000 1.186 423 A CA 1.415 52.982 52.037 -0.783 0.000 0.624 423 A CB -0.771 17.732 19.000 -0.828 0.000 0.822 423 A HN 0.352 nan 8.150 nan 0.000 0.444 424 L N -0.853 120.402 121.223 0.053 0.000 2.093 424 L HA -0.182 4.157 4.340 -0.000 0.000 0.208 424 L C 2.420 179.445 176.870 0.259 0.000 1.085 424 L CA 1.697 56.622 54.840 0.142 0.000 0.755 424 L CB -0.688 41.339 42.059 -0.054 0.000 0.904 424 L HN 0.492 nan 8.230 nan 0.000 0.435 425 D N -0.029 120.548 120.400 0.296 0.000 2.117 425 D HA -0.155 4.485 4.640 -0.000 0.000 0.197 425 D C 2.163 178.555 176.300 0.154 0.000 0.987 425 D CA 1.373 55.528 54.000 0.257 0.000 0.829 425 D CB 0.360 41.314 40.800 0.256 0.000 0.961 425 D HN 0.107 nan 8.370 nan 0.000 0.460 426 V N 1.318 121.318 119.914 0.144 0.000 2.343 426 V HA -0.230 3.889 4.120 -0.000 0.000 0.247 426 V C 2.578 178.695 176.094 0.039 0.000 1.051 426 V CA 1.002 63.387 62.300 0.142 0.000 1.036 426 V CB -0.467 31.517 31.823 0.269 0.000 0.654 426 V HN 0.188 nan 8.190 nan 0.000 0.451 427 L N 1.210 122.411 121.223 -0.037 0.000 2.083 427 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 427 L C 2.752 179.552 176.870 -0.117 0.000 1.083 427 L CA 2.390 57.049 54.840 -0.302 0.000 0.752 427 L CB -0.750 41.003 42.059 -0.510 0.000 0.899 427 L HN 0.532 nan 8.230 nan 0.000 0.433 428 S N -1.460 114.257 115.700 0.030 0.000 2.383 428 S HA -0.295 4.175 4.470 -0.000 0.000 0.229 428 S C 1.912 176.496 174.600 -0.027 0.000 1.030 428 S CA 1.487 59.700 58.200 0.023 0.000 1.002 428 S CB -0.617 62.625 63.200 0.070 0.000 0.829 428 S HN 0.645 nan 8.310 nan 0.000 0.467 429 Q N 0.639 120.433 119.800 -0.010 0.000 2.083 429 Q HA 0.193 4.532 4.340 -0.000 0.000 0.198 429 Q C 2.320 178.299 176.000 -0.035 0.000 0.969 429 Q CA 1.251 57.046 55.803 -0.013 0.000 0.838 429 Q CB -0.361 28.386 28.738 0.015 0.000 0.900 429 Q HN 0.540 nan 8.270 nan 0.000 0.436 430 L N 0.419 121.607 121.223 -0.058 0.000 2.012 430 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 430 L C 1.530 178.347 176.870 -0.087 0.000 1.073 430 L CA 1.371 56.163 54.840 -0.080 0.000 0.748 430 L CB -0.055 41.915 42.059 -0.148 0.000 0.891 430 L HN 0.315 nan 8.230 nan 0.000 0.431 431 L N -0.311 120.848 121.223 -0.107 0.000 2.612 431 L HA 0.031 4.371 4.340 -0.000 0.000 0.230 431 L C 0.465 177.286 176.870 -0.082 0.000 1.140 431 L CA -0.074 54.706 54.840 -0.099 0.000 0.896 431 L CB -0.679 41.311 42.059 -0.114 0.000 1.065 431 L HN 0.448 nan 8.230 nan 0.000 0.447 432 N N 0.912 119.571 118.700 -0.068 0.000 2.688 432 N HA -0.218 4.522 4.740 -0.000 0.000 0.258 432 N C 0.279 175.742 175.510 -0.078 0.000 1.016 432 N CA 0.452 53.465 53.050 -0.061 0.000 0.747 432 N CB -0.909 37.547 38.487 -0.052 0.000 0.895 432 N HN 0.365 nan 8.380 nan 0.000 0.543 433 L N -0.797 120.371 121.223 -0.091 0.000 2.638 433 L HA 0.382 4.721 4.340 -0.000 0.000 0.232 433 L C 1.690 178.484 176.870 -0.126 0.000 1.099 433 L CA 0.199 54.965 54.840 -0.123 0.000 0.883 433 L CB -0.237 41.724 42.059 -0.163 0.000 1.136 433 L HN 0.537 nan 8.230 nan 0.000 0.492 434 G N 0.526 109.269 108.800 -0.096 0.000 2.645 434 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.239 434 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.239 434 G C -0.068 174.761 174.900 -0.119 0.000 1.331 434 G CA -0.213 44.833 45.100 -0.090 0.000 0.890 434 G HN 0.130 nan 8.290 nan 0.000 0.572 435 S N 0.130 115.758 115.700 -0.120 0.000 3.900 435 S HA 0.298 4.768 4.470 -0.000 0.000 0.248 435 S C 1.272 175.749 174.600 -0.206 0.000 1.310 435 S CA 0.383 58.489 58.200 -0.157 0.000 0.915 435 S CB 0.968 64.092 63.200 -0.127 0.000 1.588 435 S HN 1.336 nan 8.310 nan 0.000 0.472 436 V N 2.841 122.573 119.914 -0.303 0.000 3.174 436 V HA 0.179 4.299 4.120 -0.000 0.000 0.254 436 V C -0.255 175.551 176.094 -0.480 0.000 1.120 436 V CA 0.676 62.731 62.300 -0.409 0.000 1.114 436 V CB -0.112 31.395 31.823 -0.526 0.000 0.756 436 V HN 0.690 nan 8.190 nan 0.000 0.467 437 Y N 0.552 120.713 120.300 -0.230 0.000 2.310 437 Y HA 0.344 4.894 4.550 -0.000 0.000 0.326 437 Y C -1.079 174.690 175.900 -0.219 0.000 1.151 437 Y CA -2.005 55.968 58.100 -0.213 0.000 1.195 437 Y CB 0.598 38.931 38.460 -0.211 0.000 1.210 437 Y HN 0.042 nan 8.280 nan 0.000 0.483 438 P HA -0.274 nan 4.420 nan 0.000 0.216 438 P C 1.316 178.688 177.300 0.119 0.000 1.154 438 P CA 1.785 64.986 63.100 0.169 0.000 0.865 438 P CB -0.127 31.800 31.700 0.378 0.000 0.789 439 F N -0.457 119.597 119.950 0.172 0.000 2.546 439 F HA -0.047 4.480 4.527 -0.000 0.000 0.298 439 F C 1.578 177.429 175.800 0.085 0.000 1.120 439 F CA 0.872 58.933 58.000 0.103 0.000 1.456 439 F CB -1.420 37.631 39.000 0.086 0.000 1.088 439 F HN -0.042 nan 8.300 nan 0.000 0.572 440 Q N 0.290 119.718 119.800 -0.619 0.000 2.392 440 Q HA 0.169 4.508 4.340 -0.000 0.000 0.203 440 Q C 0.442 176.342 176.000 -0.166 0.000 0.917 440 Q CA 0.122 55.656 55.803 -0.448 0.000 0.939 440 Q CB 0.302 28.718 28.738 -0.538 0.000 1.063 440 Q HN 0.448 nan 8.270 nan 0.000 0.516 441 R N 0.000 120.437 120.500 -0.105 0.000 2.786 441 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 441 R CA 0.000 56.071 56.100 -0.048 0.000 0.921 441 R CB 0.000 30.275 30.300 -0.041 0.000 0.687 441 R HN 0.000 nan 8.270 nan 0.000 0.535