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 3dmf_1_A DATA FIRST_RESID 3 DATA SEQUENCE LTREAYHRLT PLPHPGGRLF IKPGARGYRD PVHDLLQKTV EPFGERALDL DATA SEQUENCE NPGVGWGSLP LEGRMAVERL ETSRAAFRCL TASGLQARLA LPWEAAAGAY DATA SEQUENCE DLVVLALPAG RGTAYVQASL VAAARALRMG GRLYLAGDKN KGFERYFKEA DATA SEQUENCE RALLGYGVVV RREGPYRVAL LEKEKEAPPL PSLWRAFSAR ILGAEYTFHH DATA SEQUENCE LPGVFSAGKV DPASLLLLEA LQERLGPEGV RGRQVLDLGA GYGALTLPLA DATA SEQUENCE RMGAEVVGVE DDLASVLSLQ KGLEANALKA QALHSDVDEA LTEEARFDII DATA SEQUENCE VTNPPFHVGG AVILDVAQAF VNVAAARLRP GGVFFLVSNP FLKYEPLLEE DATA SEQUENCE KFGAFQTLKV AEYKVLFAEK R VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.884 176.870 0.024 0.000 1.165 3 L CA 0.000 54.854 54.840 0.023 0.000 0.813 3 L CB 0.000 42.093 42.059 0.057 0.000 0.961 4 T N -2.289 112.279 114.554 0.024 0.000 2.748 4 T HA 0.260 4.609 4.350 -0.001 0.000 0.304 4 T C 1.062 175.798 174.700 0.061 0.000 1.041 4 T CA -0.229 61.888 62.100 0.027 0.000 1.033 4 T CB 0.935 69.816 68.868 0.022 0.000 0.995 4 T HN 0.669 nan 8.240 nan 0.000 0.536 5 R N 0.211 120.751 120.500 0.066 0.000 2.073 5 R HA -0.092 4.248 4.340 -0.001 0.000 0.234 5 R C 2.615 179.038 176.300 0.205 0.000 1.134 5 R CA 1.393 57.574 56.100 0.135 0.000 0.952 5 R CB -0.339 30.041 30.300 0.134 0.000 0.850 5 R HN 0.780 nan 8.270 nan 0.000 0.433 6 E N 1.088 121.370 120.200 0.137 0.000 2.085 6 E HA -0.190 4.160 4.350 -0.001 0.000 0.194 6 E C 1.817 178.471 176.600 0.089 0.000 0.994 6 E CA 1.568 58.040 56.400 0.120 0.000 0.801 6 E CB -0.007 29.730 29.700 0.062 0.000 0.743 6 E HN 0.336 nan 8.360 nan 0.000 0.453 7 A N 0.243 123.098 122.820 0.058 0.000 1.930 7 A HA -0.193 4.126 4.320 -0.001 0.000 0.217 7 A C 2.136 179.710 177.584 -0.018 0.000 1.175 7 A CA 1.407 53.455 52.037 0.018 0.000 0.627 7 A CB -0.975 18.033 19.000 0.013 0.000 0.815 7 A HN 0.497 nan 8.150 nan 0.000 0.443 8 Y N 0.155 120.412 120.300 -0.072 0.000 2.165 8 Y HA -0.253 4.297 4.550 -0.001 0.000 0.286 8 Y C 2.308 178.102 175.900 -0.177 0.000 1.155 8 Y CA 2.337 60.340 58.100 -0.162 0.000 1.164 8 Y CB -0.256 38.045 38.460 -0.263 0.000 0.978 8 Y HN 0.488 nan 8.280 nan 0.000 0.513 9 H N 0.078 119.105 119.070 -0.072 0.000 2.548 9 H HA 0.148 4.703 4.556 -0.001 0.000 0.265 9 H C 0.600 175.856 175.328 -0.121 0.000 0.969 9 H CA 0.257 56.248 56.048 -0.096 0.000 1.155 9 H CB -0.111 29.684 29.762 0.055 0.000 1.394 9 H HN 0.215 nan 8.280 nan 0.000 0.570 10 R N 1.296 121.784 120.500 -0.020 0.000 2.491 10 R HA 0.168 4.508 4.340 -0.001 0.000 0.283 10 R C -0.571 175.704 176.300 -0.041 0.000 1.072 10 R CA -0.232 55.859 56.100 -0.015 0.000 1.048 10 R CB 0.364 30.654 30.300 -0.016 0.000 0.983 10 R HN 0.061 nan 8.270 nan 0.000 0.450 11 L N 4.122 125.355 121.223 0.017 0.000 2.272 11 L HA 0.336 4.675 4.340 -0.001 0.000 0.289 11 L C -0.282 176.725 176.870 0.229 0.000 1.032 11 L CA -0.523 54.380 54.840 0.105 0.000 0.810 11 L CB 1.823 43.918 42.059 0.061 0.000 1.205 11 L HN 0.665 nan 8.230 nan 0.000 0.422 12 T N 4.303 118.919 114.554 0.103 0.000 2.786 12 T HA 0.392 4.742 4.350 -0.001 0.000 0.283 12 T C -2.543 171.968 174.700 -0.314 0.000 0.992 12 T CA -1.309 60.749 62.100 -0.070 0.000 0.954 12 T CB 1.790 70.574 68.868 -0.140 0.000 0.934 12 T HN 0.345 nan 8.240 nan 0.000 0.440 13 P HA 0.413 nan 4.420 nan 0.000 0.286 13 P C -0.935 176.086 177.300 -0.466 0.000 1.269 13 P CA -0.499 62.044 63.100 -0.928 0.000 0.787 13 P CB 0.936 31.919 31.700 -1.194 0.000 0.920 14 L N 5.417 126.418 121.223 -0.370 0.000 2.334 14 L HA 0.528 4.868 4.340 -0.001 0.000 0.273 14 L C -2.052 174.708 176.870 -0.183 0.000 1.013 14 L CA -2.629 52.065 54.840 -0.244 0.000 0.816 14 L CB 2.184 44.107 42.059 -0.227 0.000 1.278 14 L HN 0.194 nan 8.230 nan 0.000 0.431 15 P HA 0.248 nan 4.420 nan 0.000 0.278 15 P C -1.593 175.676 177.300 -0.051 0.000 1.238 15 P CA -0.061 62.954 63.100 -0.142 0.000 0.794 15 P CB 0.845 32.476 31.700 -0.114 0.000 0.955 16 H N -0.513 118.549 119.070 -0.014 0.000 2.985 16 H HA 0.649 5.204 4.556 -0.001 0.000 0.360 16 H C -2.835 172.541 175.328 0.081 0.000 1.221 16 H CA -2.777 53.316 56.048 0.076 0.000 1.121 16 H CB -0.396 29.515 29.762 0.247 0.000 1.854 16 H HN 0.098 nan 8.280 nan 0.000 0.551 17 P HA 0.102 nan 4.420 nan 0.000 0.260 17 P C 0.928 178.272 177.300 0.075 0.000 1.185 17 P CA 1.975 65.133 63.100 0.098 0.000 0.763 17 P CB 0.503 32.278 31.700 0.125 0.000 0.776 18 G N 1.866 110.651 108.800 -0.025 0.000 2.199 18 G HA2 -0.039 3.921 3.960 -0.001 0.000 0.254 18 G HA3 -0.039 3.921 3.960 -0.001 0.000 0.254 18 G C 0.424 175.258 174.900 -0.109 0.000 0.982 18 G CA -0.075 45.008 45.100 -0.027 0.000 0.632 18 G HN 0.979 nan 8.290 nan 0.000 0.529 19 G N -0.907 107.671 108.800 -0.369 0.000 2.500 19 G HA2 0.840 4.800 3.960 -0.001 0.000 0.299 19 G HA3 0.840 4.800 3.960 -0.001 0.000 0.299 19 G C -0.928 173.563 174.900 -0.681 0.000 1.242 19 G CA 0.347 45.186 45.100 -0.436 0.000 0.859 19 G HN 1.266 nan 8.290 nan 0.000 0.481 20 R N -1.536 118.738 120.500 -0.376 0.000 2.739 20 R HA 0.816 5.155 4.340 -0.001 0.000 0.271 20 R C -2.356 174.008 176.300 0.107 0.000 1.010 20 R CA -0.872 55.117 56.100 -0.185 0.000 0.897 20 R CB 1.898 32.062 30.300 -0.227 0.000 1.236 20 R HN 0.831 nan 8.270 nan 0.000 0.466 21 L N 1.820 123.057 121.223 0.024 0.000 2.470 21 L HA 0.513 4.853 4.340 -0.001 0.000 0.268 21 L C -1.579 175.225 176.870 -0.110 0.000 0.964 21 L CA -0.451 54.435 54.840 0.077 0.000 0.839 21 L CB 1.944 44.083 42.059 0.134 0.000 1.276 21 L HN 0.650 nan 8.230 nan 0.000 0.403 22 F N 5.547 125.474 119.950 -0.038 0.000 2.443 22 F HA 0.533 5.060 4.527 -0.001 0.000 0.353 22 F C 0.679 176.390 175.800 -0.149 0.000 1.101 22 F CA 0.032 57.975 58.000 -0.095 0.000 1.226 22 F CB 0.808 39.765 39.000 -0.071 0.000 1.140 22 F HN 0.420 nan 8.300 nan 0.000 0.557 23 I N 0.924 121.443 120.570 -0.085 0.000 3.108 23 I HA 0.780 4.950 4.170 -0.001 0.000 0.312 23 I C -1.306 174.700 176.117 -0.186 0.000 1.095 23 I CA -1.117 60.051 61.300 -0.218 0.000 1.000 23 I CB 2.617 40.268 38.000 -0.582 0.000 1.229 23 I HN 0.637 nan 8.210 nan 0.000 0.454 24 K N 1.361 121.635 120.400 -0.211 0.000 2.579 24 K HA 0.641 4.961 4.320 -0.001 0.000 0.284 24 K C -3.238 173.219 176.600 -0.238 0.000 0.990 24 K CA -1.655 54.497 56.287 -0.224 0.000 0.880 24 K CB 1.379 33.751 32.500 -0.214 0.000 1.488 24 K HN 0.300 nan 8.250 nan 0.000 0.425 25 P HA 0.066 nan 4.420 nan 0.000 0.266 25 P C 0.498 177.660 177.300 -0.230 0.000 1.195 25 P CA 1.438 64.399 63.100 -0.232 0.000 0.768 25 P CB 0.574 32.118 31.700 -0.260 0.000 0.838 26 G N 1.161 109.953 108.800 -0.013 0.000 2.179 26 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.260 26 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.260 26 G C 0.306 175.220 174.900 0.023 0.000 0.977 26 G CA 0.019 45.159 45.100 0.068 0.000 0.641 26 G HN 0.874 nan 8.290 nan 0.000 0.533 27 A N 0.402 123.209 122.820 -0.021 0.000 2.292 27 A HA 0.806 5.125 4.320 -0.001 0.000 0.319 27 A C 0.663 178.246 177.584 -0.001 0.000 1.206 27 A CA -0.401 51.627 52.037 -0.015 0.000 0.835 27 A CB 0.593 19.566 19.000 -0.045 0.000 1.164 27 A HN 0.444 nan 8.150 nan 0.000 0.505 28 R N 0.664 121.163 120.500 -0.002 0.000 2.738 28 R HA 0.431 4.770 4.340 -0.001 0.000 0.268 28 R C 1.157 177.393 176.300 -0.107 0.000 1.062 28 R CA 1.105 57.193 56.100 -0.020 0.000 1.158 28 R CB 0.423 30.727 30.300 0.007 0.000 1.046 28 R HN 1.532 nan 8.270 nan 0.000 0.493 29 G N 0.473 109.145 108.800 -0.213 0.000 2.179 29 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.220 29 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.220 29 G C -0.758 174.024 174.900 -0.197 0.000 0.990 29 G CA -0.138 44.620 45.100 -0.569 0.000 0.646 29 G HN 0.570 nan 8.290 nan 0.000 0.517 30 Y N 2.123 122.305 120.300 -0.197 0.000 2.328 30 Y HA 0.583 5.132 4.550 -0.001 0.000 0.337 30 Y C 1.293 177.111 175.900 -0.136 0.000 1.008 30 Y CA -1.083 56.912 58.100 -0.174 0.000 1.129 30 Y CB 0.618 38.985 38.460 -0.155 0.000 1.185 30 Y HN 0.328 nan 8.280 nan 0.000 0.476 31 R N 2.820 122.913 120.500 -0.678 0.000 3.516 31 R HA -0.236 4.104 4.340 -0.001 0.000 0.271 31 R C -1.152 174.985 176.300 -0.270 0.000 1.098 31 R CA 1.166 56.931 56.100 -0.558 0.000 0.732 31 R CB -1.402 28.442 30.300 -0.760 0.000 1.152 31 R HN 0.679 nan 8.270 nan 0.000 0.455 32 D N 0.081 120.397 120.400 -0.140 0.000 2.373 32 D HA 0.228 4.867 4.640 -0.001 0.000 0.227 32 D C -1.524 174.730 176.300 -0.077 0.000 1.091 32 D CA -2.598 51.375 54.000 -0.046 0.000 0.840 32 D CB 1.476 42.335 40.800 0.099 0.000 1.060 32 D HN -0.122 nan 8.370 nan 0.000 0.502 33 P HA -0.147 nan 4.420 nan 0.000 0.217 33 P C 1.542 178.573 177.300 -0.447 0.000 1.148 33 P CA 0.531 63.312 63.100 -0.532 0.000 0.828 33 P CB 0.472 31.407 31.700 -1.276 0.000 0.783 34 V N -0.900 118.837 119.914 -0.296 0.000 2.307 34 V HA -0.261 3.858 4.120 -0.001 0.000 0.245 34 V C 2.148 178.170 176.094 -0.121 0.000 1.045 34 V CA 2.048 64.264 62.300 -0.141 0.000 1.024 34 V CB -1.458 30.340 31.823 -0.042 0.000 0.651 34 V HN 0.171 nan 8.190 nan 0.000 0.449 35 H N -0.067 118.990 119.070 -0.023 0.000 2.389 35 H HA -0.111 4.445 4.556 -0.001 0.000 0.299 35 H C 2.158 177.508 175.328 0.037 0.000 1.081 35 H CA 1.573 57.641 56.048 0.032 0.000 1.345 35 H CB -0.229 29.614 29.762 0.134 0.000 1.393 35 H HN 0.403 nan 8.280 nan 0.000 0.520 36 D N 0.074 120.596 120.400 0.204 0.000 2.117 36 D HA -0.124 4.515 4.640 -0.001 0.000 0.197 36 D C 2.142 178.437 176.300 -0.007 0.000 0.987 36 D CA 0.582 54.702 54.000 0.199 0.000 0.829 36 D CB -0.339 40.542 40.800 0.136 0.000 0.961 36 D HN 0.188 nan 8.370 nan 0.000 0.460 37 L N 0.569 121.751 121.223 -0.068 0.000 2.056 37 L HA -0.066 4.274 4.340 -0.001 0.000 0.207 37 L C 2.271 179.055 176.870 -0.143 0.000 1.078 37 L CA 1.148 55.931 54.840 -0.095 0.000 0.749 37 L CB -0.510 41.496 42.059 -0.087 0.000 0.901 37 L HN 0.017 nan 8.230 nan 0.000 0.433 38 L N -0.895 120.228 121.223 -0.167 0.000 2.042 38 L HA -0.262 4.078 4.340 -0.001 0.000 0.210 38 L C 2.662 179.335 176.870 -0.328 0.000 1.076 38 L CA 1.546 56.244 54.840 -0.236 0.000 0.749 38 L CB -0.651 41.275 42.059 -0.221 0.000 0.893 38 L HN 0.436 nan 8.230 nan 0.000 0.432 39 Q N 0.803 120.362 119.800 -0.400 0.000 2.170 39 Q HA -0.218 4.122 4.340 -0.001 0.000 0.203 39 Q C 1.875 177.615 176.000 -0.434 0.000 0.976 39 Q CA 1.555 56.984 55.803 -0.625 0.000 0.858 39 Q CB 0.068 28.031 28.738 -1.291 0.000 0.907 39 Q HN 0.486 nan 8.270 nan 0.000 0.433 40 K N -0.946 119.287 120.400 -0.278 0.000 2.486 40 K HA 0.020 4.339 4.320 -0.001 0.000 0.194 40 K C 1.343 177.847 176.600 -0.160 0.000 1.033 40 K CA 1.028 57.210 56.287 -0.174 0.000 1.004 40 K CB 0.446 32.888 32.500 -0.096 0.000 0.798 40 K HN 0.130 nan 8.250 nan 0.000 0.495 41 T N 0.042 114.467 114.554 -0.215 0.000 3.075 41 T HA 0.033 4.382 4.350 -0.001 0.000 0.251 41 T C 0.505 175.013 174.700 -0.319 0.000 0.979 41 T CA -0.125 61.860 62.100 -0.192 0.000 1.033 41 T CB 0.296 69.073 68.868 -0.151 0.000 1.104 41 T HN 0.048 nan 8.240 nan 0.000 0.473 42 V N 1.915 121.504 119.914 -0.542 0.000 2.673 42 V HA 0.423 4.543 4.120 -0.001 0.000 0.303 42 V C -0.557 175.327 176.094 -0.350 0.000 1.046 42 V CA -0.478 61.323 62.300 -0.833 0.000 1.126 42 V CB 0.295 31.662 31.823 -0.759 0.000 0.934 42 V HN 0.333 nan 8.190 nan 0.000 0.487 43 E N 4.412 124.525 120.200 -0.146 0.000 2.343 43 E HA 0.526 4.875 4.350 -0.001 0.000 0.270 43 E C -2.814 173.880 176.600 0.158 0.000 0.895 43 E CA -2.272 54.154 56.400 0.043 0.000 0.767 43 E CB 2.156 31.921 29.700 0.109 0.000 1.248 43 E HN 0.578 nan 8.360 nan 0.000 0.440 44 P HA 0.024 nan 4.420 nan 0.000 0.267 44 P C -1.246 176.217 177.300 0.271 0.000 1.200 44 P CA 0.260 63.456 63.100 0.161 0.000 0.772 44 P CB 0.248 32.002 31.700 0.089 0.000 0.855 45 F N 2.167 122.176 119.950 0.097 0.000 2.630 45 F HA 0.533 5.059 4.527 -0.001 0.000 0.325 45 F C 0.422 176.263 175.800 0.069 0.000 1.184 45 F CA 0.577 58.625 58.000 0.080 0.000 1.011 45 F CB 1.182 40.233 39.000 0.085 0.000 1.268 45 F HN 0.719 nan 8.300 nan 0.000 0.480 46 G N 5.207 113.682 108.800 -0.543 0.000 2.598 46 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.244 46 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.244 46 G C 0.094 174.923 174.900 -0.119 0.000 1.302 46 G CA 0.553 45.429 45.100 -0.373 0.000 0.903 46 G HN 0.680 nan 8.290 nan 0.000 0.575 47 E N 0.116 120.278 120.200 -0.064 0.000 2.399 47 E HA 0.258 4.607 4.350 -0.001 0.000 0.205 47 E C 1.225 177.845 176.600 0.033 0.000 0.906 47 E CA 0.494 56.884 56.400 -0.016 0.000 0.998 47 E CB 0.468 30.149 29.700 -0.031 0.000 1.002 47 E HN 0.535 nan 8.360 nan 0.000 0.501 48 R N 0.318 120.857 120.500 0.065 0.000 2.439 48 R HA 0.768 5.107 4.340 -0.001 0.000 0.310 48 R C -0.996 175.476 176.300 0.287 0.000 0.955 48 R CA -0.511 55.674 56.100 0.142 0.000 0.853 48 R CB 2.121 32.447 30.300 0.043 0.000 1.171 48 R HN -0.004 nan 8.270 nan 0.000 0.449 49 A N 2.839 125.827 122.820 0.281 0.000 2.356 49 A HA 0.755 5.075 4.320 -0.001 0.000 0.323 49 A C -1.502 176.137 177.584 0.091 0.000 1.119 49 A CA -0.669 51.496 52.037 0.214 0.000 0.790 49 A CB 1.365 20.445 19.000 0.134 0.000 1.273 49 A HN 0.520 nan 8.150 nan 0.000 0.452 50 L N 1.276 122.416 121.223 -0.138 0.000 2.409 50 L HA 0.559 4.898 4.340 -0.001 0.000 0.272 50 L C -1.399 175.369 176.870 -0.171 0.000 0.980 50 L CA -0.234 54.378 54.840 -0.379 0.000 0.826 50 L CB 1.936 43.408 42.059 -0.978 0.000 1.268 50 L HN 0.678 nan 8.230 nan 0.000 0.407 51 D N 4.604 124.940 120.400 -0.107 0.000 2.349 51 D HA 0.267 4.906 4.640 -0.001 0.000 0.232 51 D C 0.551 176.822 176.300 -0.049 0.000 1.071 51 D CA -0.134 53.839 54.000 -0.046 0.000 0.832 51 D CB 1.268 42.065 40.800 -0.005 0.000 1.086 51 D HN 0.673 nan 8.370 nan 0.000 0.504 52 L N 3.223 124.421 121.223 -0.041 0.000 2.591 52 L HA 0.141 4.481 4.340 -0.001 0.000 0.228 52 L C 0.737 177.614 176.870 0.012 0.000 1.133 52 L CA 0.199 55.016 54.840 -0.039 0.000 0.880 52 L CB -0.029 42.002 42.059 -0.048 0.000 1.033 52 L HN 0.245 nan 8.230 nan 0.000 0.450 53 N N -0.463 118.266 118.700 0.049 0.000 2.679 53 N HA 0.110 4.849 4.740 -0.001 0.000 0.240 53 N C -2.023 173.584 175.510 0.161 0.000 1.537 53 N CA -0.927 52.187 53.050 0.106 0.000 0.793 53 N CB 0.773 39.334 38.487 0.124 0.000 1.391 53 N HN -0.200 nan 8.380 nan 0.000 0.524 54 P HA 0.140 nan 4.420 nan 0.000 0.222 54 P C 1.066 178.456 177.300 0.151 0.000 1.153 54 P CA 1.164 64.351 63.100 0.145 0.000 0.798 54 P CB 0.286 32.035 31.700 0.082 0.000 0.796 55 G N 0.901 109.760 108.800 0.099 0.000 2.611 55 G HA2 -0.364 3.595 3.960 -0.001 0.000 0.301 55 G HA3 -0.364 3.595 3.960 -0.001 0.000 0.301 55 G C 1.060 175.967 174.900 0.011 0.000 1.233 55 G CA 1.336 46.443 45.100 0.011 0.000 0.993 55 G HN 0.342 nan 8.290 nan 0.000 0.553 56 V N -0.924 118.979 119.914 -0.018 0.000 3.510 56 V HA 0.472 4.591 4.120 -0.001 0.000 0.270 56 V C 2.145 178.290 176.094 0.085 0.000 1.201 56 V CA 1.594 63.910 62.300 0.026 0.000 1.166 56 V CB -0.483 31.342 31.823 0.003 0.000 0.825 56 V HN 2.913 nan 8.190 nan 0.000 0.484 57 G N -1.180 107.683 108.800 0.106 0.000 2.141 57 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.231 57 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.231 57 G C 0.526 175.539 174.900 0.187 0.000 0.984 57 G CA 0.309 45.488 45.100 0.131 0.000 0.660 57 G HN 0.628 nan 8.290 nan 0.000 0.525 58 W N 0.827 122.123 121.300 -0.006 0.000 2.381 58 W HA -0.021 4.638 4.660 -0.001 0.000 0.301 58 W C 1.957 178.472 176.519 -0.006 0.000 1.205 58 W CA 1.477 58.804 57.345 -0.030 0.000 1.285 58 W CB -0.407 29.041 29.460 -0.020 0.000 1.133 58 W HN 0.265 nan 8.180 nan 0.000 0.521 59 G N 0.391 109.247 108.800 0.092 0.000 2.440 59 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.218 59 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.218 59 G C 1.428 176.202 174.900 -0.210 0.000 1.154 59 G CA 1.579 46.622 45.100 -0.095 0.000 0.767 59 G HN 0.353 nan 8.290 nan 0.000 0.552 60 S N -0.388 115.243 115.700 -0.115 0.000 2.556 60 S HA 0.229 4.699 4.470 -0.001 0.000 0.216 60 S C 1.906 176.425 174.600 -0.136 0.000 0.970 60 S CA 0.075 58.199 58.200 -0.127 0.000 0.912 60 S CB 0.275 63.446 63.200 -0.049 0.000 0.790 60 S HN 0.104 nan 8.310 nan 0.000 0.504 61 L N 2.732 123.848 121.223 -0.180 0.000 2.129 61 L HA 0.088 4.427 4.340 -0.001 0.000 0.212 61 L C -1.184 175.586 176.870 -0.167 0.000 1.087 61 L CA 1.617 56.363 54.840 -0.157 0.000 0.757 61 L CB -1.296 40.649 42.059 -0.191 0.000 0.896 61 L HN 0.177 nan 8.230 nan 0.000 0.434 62 P HA -0.163 nan 4.420 nan 0.000 0.221 62 P C 1.766 179.012 177.300 -0.090 0.000 1.145 62 P CA 1.283 64.279 63.100 -0.173 0.000 0.795 62 P CB -0.034 31.531 31.700 -0.226 0.000 0.775 63 L N -1.494 119.683 121.223 -0.076 0.000 2.313 63 L HA 0.008 4.347 4.340 -0.001 0.000 0.214 63 L C 1.193 178.066 176.870 0.004 0.000 1.119 63 L CA 0.238 55.066 54.840 -0.020 0.000 0.809 63 L CB -0.751 41.306 42.059 -0.003 0.000 0.933 63 L HN -0.034 nan 8.230 nan 0.000 0.449 64 E N 0.696 120.896 120.200 -0.000 0.000 2.376 64 E HA 0.230 4.579 4.350 -0.001 0.000 0.266 64 E C 1.091 177.710 176.600 0.032 0.000 1.009 64 E CA 0.931 57.346 56.400 0.025 0.000 0.902 64 E CB 0.554 30.275 29.700 0.036 0.000 0.972 64 E HN 0.290 nan 8.360 nan 0.000 0.439 65 G N 4.976 113.798 108.800 0.036 0.000 2.234 65 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.260 65 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.260 65 G C 1.091 176.008 174.900 0.028 0.000 0.987 65 G CA 0.589 45.710 45.100 0.034 0.000 0.625 65 G HN 0.552 nan 8.290 nan 0.000 0.532 66 R N -0.983 119.533 120.500 0.026 0.000 2.250 66 R HA 0.461 4.800 4.340 -0.001 0.000 0.194 66 R C 1.133 177.450 176.300 0.028 0.000 0.927 66 R CA 0.611 56.725 56.100 0.025 0.000 1.052 66 R CB 0.363 30.677 30.300 0.023 0.000 1.055 66 R HN 0.457 nan 8.270 nan 0.000 0.537 67 M N -0.416 119.205 119.600 0.036 0.000 2.658 67 M HA 0.445 4.924 4.480 -0.001 0.000 0.295 67 M C -1.063 175.266 176.300 0.049 0.000 1.248 67 M CA -0.954 54.373 55.300 0.044 0.000 0.843 67 M CB 2.385 35.023 32.600 0.063 0.000 1.749 67 M HN -0.101 nan 8.290 nan 0.000 0.464 68 A N 1.670 124.524 122.820 0.056 0.000 2.454 68 A HA 0.550 4.869 4.320 -0.001 0.000 0.260 68 A C -0.612 177.031 177.584 0.097 0.000 1.106 68 A CA -0.329 51.748 52.037 0.068 0.000 0.780 68 A CB -0.170 18.869 19.000 0.064 0.000 1.044 68 A HN 0.550 nan 8.150 nan 0.000 0.498 69 V N 3.053 123.018 119.914 0.085 0.000 2.487 69 V HA 0.454 4.573 4.120 -0.001 0.000 0.298 69 V C -0.155 175.989 176.094 0.083 0.000 1.028 69 V CA -0.575 61.776 62.300 0.084 0.000 0.860 69 V CB 1.472 33.327 31.823 0.053 0.000 0.991 69 V HN 1.015 nan 8.190 nan 0.000 0.427 70 E N 4.288 124.541 120.200 0.089 0.000 2.212 70 E HA 0.690 5.039 4.350 -0.001 0.000 0.270 70 E C -0.753 175.846 176.600 -0.003 0.000 0.956 70 E CA -0.690 55.749 56.400 0.065 0.000 0.825 70 E CB 1.557 31.336 29.700 0.131 0.000 1.167 70 E HN 0.594 nan 8.360 nan 0.000 0.400 71 R N 3.023 123.525 120.500 0.003 0.000 2.538 71 R HA 0.488 4.827 4.340 -0.001 0.000 0.292 71 R C -0.897 175.396 176.300 -0.012 0.000 1.008 71 R CA -0.632 55.463 56.100 -0.008 0.000 0.896 71 R CB 1.280 31.591 30.300 0.017 0.000 1.187 71 R HN 0.426 nan 8.270 nan 0.000 0.440 72 L N 2.351 123.555 121.223 -0.033 0.000 2.305 72 L HA 0.537 4.876 4.340 -0.001 0.000 0.284 72 L C -0.357 176.501 176.870 -0.020 0.000 1.013 72 L CA -0.772 54.045 54.840 -0.038 0.000 0.819 72 L CB 1.664 43.675 42.059 -0.081 0.000 1.227 72 L HN 0.541 nan 8.230 nan 0.000 0.417 73 E N 0.889 121.089 120.200 0.000 0.000 2.292 73 E HA 0.300 4.649 4.350 -0.001 0.000 0.272 73 E C 0.264 176.894 176.600 0.050 0.000 0.881 73 E CA -0.502 55.916 56.400 0.031 0.000 0.754 73 E CB 1.866 31.593 29.700 0.044 0.000 1.201 73 E HN 0.573 nan 8.360 nan 0.000 0.425 74 T N 0.146 114.737 114.554 0.061 0.000 3.051 74 T HA 0.121 4.470 4.350 -0.001 0.000 0.255 74 T C 0.925 175.741 174.700 0.194 0.000 1.085 74 T CA 0.325 62.473 62.100 0.079 0.000 1.109 74 T CB 0.044 68.938 68.868 0.043 0.000 0.921 74 T HN 0.237 nan 8.240 nan 0.000 0.488 75 S N 0.774 116.561 115.700 0.145 0.000 2.474 75 S HA 0.378 4.847 4.470 -0.001 0.000 0.276 75 S C 1.189 175.840 174.600 0.085 0.000 1.227 75 S CA -0.749 57.536 58.200 0.142 0.000 1.050 75 S CB 1.183 64.429 63.200 0.077 0.000 0.939 75 S HN 0.330 nan 8.310 nan 0.000 0.490 76 R N 4.448 124.944 120.500 -0.006 0.000 2.081 76 R HA -0.020 4.320 4.340 -0.001 0.000 0.235 76 R C 2.350 178.610 176.300 -0.067 0.000 1.131 76 R CA 2.082 58.058 56.100 -0.207 0.000 0.960 76 R CB -0.925 29.122 30.300 -0.423 0.000 0.856 76 R HN 0.812 nan 8.270 nan 0.000 0.436 77 A N -0.016 122.801 122.820 -0.005 0.000 1.908 77 A HA -0.112 4.207 4.320 -0.001 0.000 0.218 77 A C 2.322 179.897 177.584 -0.015 0.000 1.181 77 A CA 1.849 53.887 52.037 0.003 0.000 0.627 77 A CB -0.986 18.031 19.000 0.029 0.000 0.818 77 A HN 0.471 nan 8.150 nan 0.000 0.445 78 A N -1.208 121.613 122.820 0.001 0.000 1.898 78 A HA 0.079 4.399 4.320 -0.001 0.000 0.216 78 A C 1.892 179.476 177.584 -0.000 0.000 1.181 78 A CA 1.409 53.448 52.037 0.003 0.000 0.620 78 A CB -0.709 18.303 19.000 0.021 0.000 0.819 78 A HN 0.438 nan 8.150 nan 0.000 0.442 79 F N 0.198 120.146 119.950 -0.002 0.000 2.216 79 F HA -0.090 4.436 4.527 -0.001 0.000 0.300 79 F C 2.495 178.276 175.800 -0.033 0.000 1.085 79 F CA 1.252 59.247 58.000 -0.008 0.000 1.326 79 F CB -0.414 38.584 39.000 -0.003 0.000 1.027 79 F HN 0.123 nan 8.300 nan 0.000 0.497 80 R N -0.687 119.784 120.500 -0.047 0.000 2.091 80 R HA -0.199 4.140 4.340 -0.001 0.000 0.238 80 R C 2.218 178.464 176.300 -0.089 0.000 1.136 80 R CA 1.807 57.865 56.100 -0.071 0.000 0.959 80 R CB -1.227 29.035 30.300 -0.063 0.000 0.856 80 R HN 0.330 nan 8.270 nan 0.000 0.437 81 C N 0.635 119.905 119.300 -0.052 0.000 2.462 81 C HA -0.033 4.426 4.460 -0.001 0.000 0.278 81 C C 2.712 177.704 174.990 0.003 0.000 1.253 81 C CA 0.382 59.390 59.018 -0.017 0.000 1.713 81 C CB -0.947 26.801 27.740 0.014 0.000 2.049 81 C HN 0.421 nan 8.230 nan 0.000 0.477 82 L N 0.602 121.832 121.223 0.011 0.000 1.990 82 L HA -0.210 4.130 4.340 -0.001 0.000 0.213 82 L C 2.723 179.595 176.870 0.003 0.000 1.072 82 L CA 2.023 56.880 54.840 0.029 0.000 0.755 82 L CB -1.322 40.754 42.059 0.028 0.000 0.889 82 L HN 0.380 nan 8.230 nan 0.000 0.432 83 T N -0.115 114.418 114.554 -0.035 0.000 2.684 83 T HA -0.222 4.127 4.350 -0.001 0.000 0.267 83 T C 1.984 176.609 174.700 -0.125 0.000 1.036 83 T CA 1.440 63.503 62.100 -0.061 0.000 1.148 83 T CB -0.340 68.488 68.868 -0.067 0.000 0.863 83 T HN 0.473 nan 8.240 nan 0.000 0.436 84 A N 1.242 123.916 122.820 -0.244 0.000 1.972 84 A HA -0.074 4.245 4.320 -0.001 0.000 0.219 84 A C 2.480 179.849 177.584 -0.359 0.000 1.169 84 A CA 1.711 53.417 52.037 -0.551 0.000 0.635 84 A CB -0.664 17.671 19.000 -1.110 0.000 0.810 84 A HN 0.443 nan 8.150 nan 0.000 0.446 85 S N -1.352 114.349 115.700 0.003 0.000 2.607 85 S HA 0.298 4.767 4.470 -0.001 0.000 0.224 85 S C 1.401 176.090 174.600 0.148 0.000 0.969 85 S CA 0.810 59.168 58.200 0.263 0.000 0.927 85 S CB -0.274 63.084 63.200 0.264 0.000 0.772 85 S HN 1.632 nan 8.310 nan 0.000 0.533 86 G N 1.407 110.242 108.800 0.059 0.000 2.198 86 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.260 86 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.260 86 G C -0.146 174.787 174.900 0.054 0.000 1.025 86 G CA -0.052 45.076 45.100 0.047 0.000 0.769 86 G HN 0.483 nan 8.290 nan 0.000 0.507 87 L N 0.258 121.514 121.223 0.055 0.000 2.272 87 L HA 0.396 4.736 4.340 -0.001 0.000 0.289 87 L C 0.988 177.881 176.870 0.040 0.000 1.032 87 L CA -0.738 54.136 54.840 0.056 0.000 0.810 87 L CB 1.645 43.745 42.059 0.069 0.000 1.205 87 L HN 0.325 nan 8.230 nan 0.000 0.422 88 Q N 2.779 122.603 119.800 0.040 0.000 2.283 88 Q HA 0.372 4.711 4.340 -0.001 0.000 0.301 88 Q C -0.739 175.281 176.000 0.034 0.000 1.063 88 Q CA 0.126 55.950 55.803 0.036 0.000 0.952 88 Q CB 0.706 29.470 28.738 0.043 0.000 1.166 88 Q HN 0.755 nan 8.270 nan 0.000 0.381 89 A N 4.592 127.429 122.820 0.028 0.000 2.594 89 A HA 0.677 4.996 4.320 -0.001 0.000 0.296 89 A C -1.588 176.010 177.584 0.025 0.000 1.061 89 A CA -0.969 51.083 52.037 0.026 0.000 0.689 89 A CB 1.554 20.569 19.000 0.025 0.000 1.280 89 A HN 0.683 nan 8.150 nan 0.000 0.406 90 R N 0.929 121.443 120.500 0.023 0.000 2.711 90 R HA 0.541 4.880 4.340 -0.001 0.000 0.284 90 R C -1.101 175.216 176.300 0.028 0.000 0.968 90 R CA -0.873 55.242 56.100 0.025 0.000 0.924 90 R CB 1.149 31.462 30.300 0.022 0.000 1.162 90 R HN 0.662 nan 8.270 nan 0.000 0.465 91 L N 2.244 123.494 121.223 0.046 0.000 2.433 91 L HA 0.434 4.773 4.340 -0.001 0.000 0.284 91 L C 0.208 177.093 176.870 0.025 0.000 1.120 91 L CA 0.084 54.971 54.840 0.078 0.000 0.879 91 L CB 0.364 42.505 42.059 0.136 0.000 1.232 91 L HN 0.668 nan 8.230 nan 0.000 0.454 92 A N 3.979 126.787 122.820 -0.021 0.000 2.605 92 A HA 0.675 4.994 4.320 -0.001 0.000 0.294 92 A C -0.932 176.534 177.584 -0.196 0.000 1.062 92 A CA -0.717 51.262 52.037 -0.096 0.000 0.682 92 A CB 1.020 19.975 19.000 -0.076 0.000 1.278 92 A HN 0.442 nan 8.150 nan 0.000 0.410 93 L N 1.570 122.572 121.223 -0.368 0.000 2.418 93 L HA 0.321 4.660 4.340 -0.001 0.000 0.265 93 L C -1.392 175.051 176.870 -0.712 0.000 1.143 93 L CA -1.814 52.582 54.840 -0.739 0.000 0.809 93 L CB 0.815 42.082 42.059 -1.321 0.000 1.124 93 L HN 0.515 nan 8.230 nan 0.000 0.456 94 P HA -0.176 nan 4.420 nan 0.000 0.216 94 P C 0.857 178.031 177.300 -0.209 0.000 1.150 94 P CA 1.418 64.315 63.100 -0.338 0.000 0.837 94 P CB -0.058 31.510 31.700 -0.221 0.000 0.786 95 W N -0.326 120.921 121.300 -0.089 0.000 3.292 95 W HA 0.262 4.921 4.660 -0.001 0.000 0.263 95 W C 0.930 177.440 176.519 -0.014 0.000 1.318 95 W CA -0.096 57.212 57.345 -0.061 0.000 1.663 95 W CB -1.374 28.036 29.460 -0.083 0.000 1.114 95 W HN -0.012 nan 8.180 nan 0.000 0.706 96 E N 1.043 121.159 120.200 -0.141 0.000 2.489 96 E HA 0.179 4.528 4.350 -0.001 0.000 0.193 96 E C 1.123 177.733 176.600 0.017 0.000 1.057 96 E CA -0.105 56.272 56.400 -0.038 0.000 0.866 96 E CB 0.062 29.697 29.700 -0.109 0.000 0.916 96 E HN 0.237 nan 8.360 nan 0.000 0.500 97 A N 1.597 124.429 122.820 0.019 0.000 2.498 97 A HA 0.355 4.674 4.320 -0.001 0.000 0.239 97 A C 0.449 178.116 177.584 0.139 0.000 1.068 97 A CA 0.063 52.140 52.037 0.067 0.000 0.766 97 A CB 0.173 19.186 19.000 0.021 0.000 1.003 97 A HN 0.235 nan 8.150 nan 0.000 0.497 98 A N 1.914 124.861 122.820 0.213 0.000 2.540 98 A HA 0.488 4.807 4.320 -0.001 0.000 0.239 98 A C 0.876 178.573 177.584 0.189 0.000 1.061 98 A CA 0.366 52.513 52.037 0.183 0.000 0.758 98 A CB -0.349 18.744 19.000 0.156 0.000 0.991 98 A HN 2.157 nan 8.150 nan 0.000 0.502 99 A N 2.050 124.941 122.820 0.118 0.000 2.363 99 A HA 0.546 4.865 4.320 -0.001 0.000 0.270 99 A C 1.499 179.130 177.584 0.078 0.000 1.121 99 A CA 0.390 52.489 52.037 0.104 0.000 0.800 99 A CB -0.423 18.623 19.000 0.076 0.000 1.052 99 A HN 2.745 nan 8.150 nan 0.000 0.493 100 G N 0.633 109.489 108.800 0.093 0.000 2.203 100 G HA2 -0.010 3.949 3.960 -0.001 0.000 0.263 100 G HA3 -0.010 3.949 3.960 -0.001 0.000 0.263 100 G C 0.789 175.696 174.900 0.010 0.000 1.012 100 G CA 0.824 45.960 45.100 0.060 0.000 0.749 100 G HN 2.000 nan 8.290 nan 0.000 0.512 101 A N -1.481 121.319 122.820 -0.033 0.000 2.348 101 A HA 0.675 4.994 4.320 -0.001 0.000 0.224 101 A C 0.422 177.687 177.584 -0.533 0.000 1.227 101 A CA 0.407 52.264 52.037 -0.301 0.000 0.885 101 A CB 0.361 19.090 19.000 -0.451 0.000 0.933 101 A HN 0.601 nan 8.150 nan 0.000 0.506 102 Y N -0.865 119.463 120.300 0.047 0.000 2.485 102 Y HA 0.385 4.934 4.550 -0.001 0.000 0.345 102 Y C 0.411 176.359 175.900 0.081 0.000 0.998 102 Y CA -1.124 57.011 58.100 0.059 0.000 1.059 102 Y CB 1.537 40.035 38.460 0.063 0.000 1.234 102 Y HN 0.110 nan 8.280 nan 0.000 0.461 103 D N 1.005 121.556 120.400 0.252 0.000 2.301 103 D HA 0.071 4.710 4.640 -0.001 0.000 0.206 103 D C -0.468 176.050 176.300 0.363 0.000 0.979 103 D CA 0.967 55.114 54.000 0.244 0.000 0.874 103 D CB 0.852 41.719 40.800 0.112 0.000 0.968 103 D HN 0.209 nan 8.370 nan 0.000 0.510 104 L N 0.761 122.174 121.223 0.315 0.000 2.455 104 L HA 0.370 4.709 4.340 -0.001 0.000 0.264 104 L C -1.425 175.549 176.870 0.172 0.000 0.968 104 L CA -0.743 54.258 54.840 0.267 0.000 0.827 104 L CB 2.471 44.720 42.059 0.317 0.000 1.317 104 L HN -0.355 nan 8.230 nan 0.000 0.407 105 V N 4.680 124.664 119.914 0.116 0.000 2.680 105 V HA 0.675 4.794 4.120 -0.001 0.000 0.309 105 V C -0.777 175.373 176.094 0.093 0.000 1.052 105 V CA -0.746 61.583 62.300 0.047 0.000 0.908 105 V CB 2.222 34.050 31.823 0.008 0.000 1.001 105 V HN 0.496 nan 8.190 nan 0.000 0.431 106 V N 5.237 125.187 119.914 0.059 0.000 2.448 106 V HA 0.558 4.677 4.120 -0.001 0.000 0.295 106 V C -0.792 175.321 176.094 0.031 0.000 1.025 106 V CA -0.521 61.825 62.300 0.076 0.000 0.859 106 V CB 1.610 33.453 31.823 0.034 0.000 0.988 106 V HN 0.625 nan 8.190 nan 0.000 0.431 107 L N 5.318 126.564 121.223 0.039 0.000 2.471 107 L HA 0.804 5.143 4.340 -0.001 0.000 0.263 107 L C 0.218 177.089 176.870 0.003 0.000 0.985 107 L CA -0.339 54.511 54.840 0.017 0.000 0.868 107 L CB 1.296 43.367 42.059 0.019 0.000 1.203 107 L HN 0.718 nan 8.230 nan 0.000 0.429 108 A N 5.583 128.370 122.820 -0.056 0.000 2.451 108 A HA 0.431 4.750 4.320 -0.001 0.000 0.266 108 A C 0.006 177.586 177.584 -0.006 0.000 1.119 108 A CA -0.277 51.690 52.037 -0.118 0.000 0.786 108 A CB -0.269 18.466 19.000 -0.441 0.000 1.061 108 A HN 0.766 nan 8.150 nan 0.000 0.503 109 L N 5.258 126.509 121.223 0.046 0.000 2.584 109 L HA 0.133 4.472 4.340 -0.001 0.000 0.272 109 L C -1.319 175.594 176.870 0.071 0.000 1.195 109 L CA -0.888 53.982 54.840 0.049 0.000 0.920 109 L CB 0.577 42.704 42.059 0.114 0.000 1.173 109 L HN 0.573 nan 8.230 nan 0.000 0.489 110 P HA 0.080 nan 4.420 nan 0.000 0.220 110 P C 0.496 177.858 177.300 0.102 0.000 1.806 110 P CA -0.122 63.056 63.100 0.130 0.000 0.976 110 P CB 0.709 32.571 31.700 0.270 0.000 1.952 111 A N 1.649 124.537 122.820 0.112 0.000 1.972 111 A HA -0.063 4.256 4.320 -0.001 0.000 0.219 111 A C 2.323 179.983 177.584 0.127 0.000 1.169 111 A CA 1.786 53.923 52.037 0.167 0.000 0.635 111 A CB -1.481 17.678 19.000 0.265 0.000 0.810 111 A HN 0.389 nan 8.150 nan 0.000 0.446 112 G N -0.915 107.933 108.800 0.081 0.000 2.509 112 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.218 112 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.218 112 G C 1.587 176.486 174.900 -0.003 0.000 1.124 112 G CA 0.644 45.764 45.100 0.033 0.000 0.776 112 G HN 0.559 nan 8.290 nan 0.000 0.547 113 R N -0.273 120.217 120.500 -0.017 0.000 2.317 113 R HA 0.353 4.692 4.340 -0.001 0.000 0.208 113 R C 1.141 177.464 176.300 0.037 0.000 0.914 113 R CA 0.421 56.472 56.100 -0.082 0.000 1.060 113 R CB 0.167 30.243 30.300 -0.374 0.000 1.015 113 R HN 0.394 nan 8.270 nan 0.000 0.498 114 G N -0.557 108.299 108.800 0.092 0.000 2.707 114 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.686 114 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.686 114 G C 0.520 175.520 174.900 0.166 0.000 1.315 114 G CA -0.376 44.799 45.100 0.125 0.000 0.832 114 G HN 0.070 nan 8.290 nan 0.000 0.573 115 T N 0.887 115.551 114.554 0.183 0.000 2.684 115 T HA -0.012 4.337 4.350 -0.001 0.000 0.267 115 T C 2.911 177.682 174.700 0.118 0.000 1.036 115 T CA 3.231 65.460 62.100 0.214 0.000 1.148 115 T CB -0.538 68.441 68.868 0.185 0.000 0.863 115 T HN 1.659 nan 8.240 nan 0.000 0.436 116 A N 0.106 122.982 122.820 0.093 0.000 1.898 116 A HA -0.073 4.246 4.320 -0.001 0.000 0.216 116 A C 2.109 179.713 177.584 0.032 0.000 1.181 116 A CA 1.419 53.480 52.037 0.039 0.000 0.620 116 A CB -0.979 18.039 19.000 0.029 0.000 0.819 116 A HN 0.585 nan 8.150 nan 0.000 0.442 117 Y N 0.352 120.651 120.300 -0.001 0.000 2.200 117 Y HA -0.156 4.394 4.550 -0.001 0.000 0.290 117 Y C 2.426 178.336 175.900 0.016 0.000 1.137 117 Y CA 1.848 59.978 58.100 0.050 0.000 1.163 117 Y CB -0.149 38.362 38.460 0.085 0.000 0.988 117 Y HN 0.080 nan 8.280 nan 0.000 0.518 118 V N 0.147 120.090 119.914 0.049 0.000 2.295 118 V HA -0.327 3.792 4.120 -0.001 0.000 0.246 118 V C 2.289 178.269 176.094 -0.191 0.000 1.049 118 V CA 2.182 64.369 62.300 -0.187 0.000 1.024 118 V CB -0.791 30.653 31.823 -0.631 0.000 0.648 118 V HN 0.354 nan 8.190 nan 0.000 0.447 119 Q N 0.602 120.332 119.800 -0.117 0.000 2.096 119 Q HA -0.165 4.174 4.340 -0.001 0.000 0.204 119 Q C 2.128 178.068 176.000 -0.101 0.000 0.982 119 Q CA 2.321 58.078 55.803 -0.077 0.000 0.850 119 Q CB -0.640 28.078 28.738 -0.033 0.000 0.901 119 Q HN 0.597 nan 8.270 nan 0.000 0.422 120 A N -0.719 122.009 122.820 -0.154 0.000 1.933 120 A HA -0.156 4.163 4.320 -0.001 0.000 0.218 120 A C 2.312 179.873 177.584 -0.039 0.000 1.175 120 A CA 1.785 53.714 52.037 -0.181 0.000 0.628 120 A CB -0.728 18.012 19.000 -0.433 0.000 0.814 120 A HN 0.423 nan 8.150 nan 0.000 0.444 121 S N -0.111 115.535 115.700 -0.090 0.000 2.368 121 S HA -0.076 4.393 4.470 -0.001 0.000 0.225 121 S C 1.825 176.402 174.600 -0.037 0.000 1.030 121 S CA 1.352 59.513 58.200 -0.064 0.000 0.999 121 S CB -0.432 62.698 63.200 -0.117 0.000 0.844 121 S HN 0.512 nan 8.310 nan 0.000 0.459 122 L N 0.953 122.143 121.223 -0.056 0.000 2.017 122 L HA -0.090 4.249 4.340 -0.001 0.000 0.208 122 L C 2.342 179.206 176.870 -0.010 0.000 1.073 122 L CA 0.975 55.796 54.840 -0.031 0.000 0.745 122 L CB -0.646 41.391 42.059 -0.036 0.000 0.894 122 L HN 0.208 nan 8.230 nan 0.000 0.432 123 V N -0.070 119.835 119.914 -0.014 0.000 2.358 123 V HA -0.255 3.864 4.120 -0.001 0.000 0.246 123 V C 2.735 178.845 176.094 0.027 0.000 1.047 123 V CA 1.647 63.947 62.300 -0.000 0.000 1.035 123 V CB -0.827 30.985 31.823 -0.019 0.000 0.658 123 V HN 0.472 nan 8.190 nan 0.000 0.452 124 A N 0.167 123.014 122.820 0.046 0.000 1.908 124 A HA -0.172 4.147 4.320 -0.001 0.000 0.218 124 A C 2.446 180.056 177.584 0.043 0.000 1.181 124 A CA 2.223 54.304 52.037 0.073 0.000 0.627 124 A CB -0.800 18.264 19.000 0.107 0.000 0.818 124 A HN 0.572 nan 8.150 nan 0.000 0.445 125 A N -0.106 122.727 122.820 0.021 0.000 1.883 125 A HA 0.113 4.432 4.320 -0.001 0.000 0.217 125 A C 2.549 180.156 177.584 0.037 0.000 1.186 125 A CA 2.348 54.394 52.037 0.016 0.000 0.624 125 A CB -1.155 17.850 19.000 0.009 0.000 0.822 125 A HN 1.135 nan 8.150 nan 0.000 0.444 126 A N -0.207 122.633 122.820 0.034 0.000 1.908 126 A HA -0.198 4.121 4.320 -0.001 0.000 0.218 126 A C 2.257 179.873 177.584 0.054 0.000 1.181 126 A CA 1.678 53.738 52.037 0.038 0.000 0.627 126 A CB -0.488 18.527 19.000 0.025 0.000 0.818 126 A HN 0.577 nan 8.150 nan 0.000 0.445 127 R N -0.629 119.906 120.500 0.058 0.000 2.092 127 R HA -0.005 4.335 4.340 -0.001 0.000 0.231 127 R C 2.434 178.795 176.300 0.101 0.000 1.119 127 R CA 1.066 57.208 56.100 0.071 0.000 0.970 127 R CB -0.447 29.896 30.300 0.070 0.000 0.864 127 R HN 0.503 nan 8.270 nan 0.000 0.440 128 A N 1.488 124.379 122.820 0.119 0.000 1.972 128 A HA -0.038 4.281 4.320 -0.001 0.000 0.219 128 A C 1.137 178.872 177.584 0.252 0.000 1.169 128 A CA 0.701 52.862 52.037 0.207 0.000 0.635 128 A CB -0.359 18.725 19.000 0.139 0.000 0.810 128 A HN 0.112 nan 8.150 nan 0.000 0.446 129 L N 0.868 122.191 121.223 0.167 0.000 2.426 129 L HA 0.207 4.547 4.340 -0.001 0.000 0.271 129 L C 0.942 177.885 176.870 0.121 0.000 1.169 129 L CA -0.665 54.271 54.840 0.160 0.000 0.836 129 L CB 0.657 42.787 42.059 0.118 0.000 1.112 129 L HN 0.525 nan 8.230 nan 0.000 0.465 130 R N 2.408 122.976 120.500 0.113 0.000 2.707 130 R HA 0.325 4.665 4.340 -0.001 0.000 0.270 130 R C -0.079 176.269 176.300 0.081 0.000 1.083 130 R CA -0.910 55.237 56.100 0.078 0.000 1.182 130 R CB 0.351 30.689 30.300 0.063 0.000 1.084 130 R HN 0.364 nan 8.270 nan 0.000 0.528 131 M N 1.650 121.287 119.600 0.062 0.000 2.260 131 M HA 0.112 4.592 4.480 -0.001 0.000 0.348 131 M C 1.049 177.397 176.300 0.080 0.000 1.342 131 M CA 1.813 57.148 55.300 0.060 0.000 1.040 131 M CB 0.215 32.841 32.600 0.044 0.000 1.810 131 M HN 0.957 nan 8.290 nan 0.000 0.453 132 G N 2.763 111.614 108.800 0.086 0.000 2.199 132 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.254 132 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.254 132 G C 0.461 175.476 174.900 0.192 0.000 0.982 132 G CA 0.134 45.305 45.100 0.119 0.000 0.632 132 G HN 1.224 nan 8.290 nan 0.000 0.529 133 G N -0.509 108.399 108.800 0.180 0.000 2.667 133 G HA2 0.551 4.511 3.960 -0.001 0.000 0.250 133 G HA3 0.551 4.511 3.960 -0.001 0.000 0.250 133 G C 0.106 175.052 174.900 0.077 0.000 1.212 133 G CA -0.171 45.073 45.100 0.240 0.000 0.874 133 G HN 0.576 nan 8.290 nan 0.000 0.561 134 R N -1.131 119.374 120.500 0.008 0.000 2.807 134 R HA 0.539 4.878 4.340 -0.001 0.000 0.276 134 R C -1.522 174.712 176.300 -0.110 0.000 0.979 134 R CA -0.898 55.089 56.100 -0.190 0.000 0.928 134 R CB 2.159 32.125 30.300 -0.558 0.000 1.191 134 R HN 0.363 nan 8.270 nan 0.000 0.471 135 L N 1.829 122.962 121.223 -0.149 0.000 2.349 135 L HA 0.428 4.768 4.340 -0.001 0.000 0.278 135 L C -1.653 175.128 176.870 -0.148 0.000 0.996 135 L CA -0.533 54.264 54.840 -0.072 0.000 0.825 135 L CB 1.157 43.208 42.059 -0.013 0.000 1.243 135 L HN 0.463 nan 8.230 nan 0.000 0.412 136 Y N 5.466 125.758 120.300 -0.013 0.000 2.350 136 Y HA 0.534 5.083 4.550 -0.001 0.000 0.340 136 Y C -0.359 175.535 175.900 -0.009 0.000 1.006 136 Y CA -0.005 58.082 58.100 -0.022 0.000 1.166 136 Y CB 1.481 39.920 38.460 -0.036 0.000 1.168 136 Y HN 0.550 nan 8.280 nan 0.000 0.502 137 L N 4.075 125.384 121.223 0.144 0.000 2.325 137 L HA 0.858 5.197 4.340 -0.001 0.000 0.281 137 L C -0.733 176.251 176.870 0.192 0.000 1.004 137 L CA -0.436 54.484 54.840 0.134 0.000 0.823 137 L CB 0.964 43.090 42.059 0.112 0.000 1.236 137 L HN 0.631 nan 8.230 nan 0.000 0.415 138 A N 3.094 126.006 122.820 0.153 0.000 2.374 138 A HA 1.012 5.331 4.320 -0.001 0.000 0.317 138 A C -0.202 177.494 177.584 0.186 0.000 1.094 138 A CA 0.182 52.284 52.037 0.107 0.000 0.765 138 A CB 1.565 20.544 19.000 -0.035 0.000 1.268 138 A HN 0.996 nan 8.150 nan 0.000 0.438 139 G N -0.218 108.663 108.800 0.136 0.000 2.494 139 G HA2 0.511 4.470 3.960 -0.001 0.000 0.308 139 G HA3 0.511 4.470 3.960 -0.001 0.000 0.308 139 G C -2.279 172.689 174.900 0.114 0.000 1.263 139 G CA -0.100 45.157 45.100 0.260 0.000 0.840 139 G HN 0.763 nan 8.290 nan 0.000 0.479 140 D N -0.573 119.951 120.400 0.206 0.000 2.696 140 D HA 0.363 5.002 4.640 -0.001 0.000 0.251 140 D C 0.826 177.180 176.300 0.089 0.000 1.188 140 D CA -0.600 53.448 54.000 0.080 0.000 0.876 140 D CB 2.228 43.130 40.800 0.170 0.000 1.334 140 D HN 0.328 nan 8.370 nan 0.000 0.540 141 K N 1.906 122.292 120.400 -0.024 0.000 2.211 141 K HA -0.117 4.202 4.320 -0.001 0.000 0.204 141 K C 1.087 177.702 176.600 0.024 0.000 1.047 141 K CA 1.226 57.544 56.287 0.053 0.000 0.935 141 K CB 0.031 32.524 32.500 -0.012 0.000 0.728 141 K HN 0.441 nan 8.250 nan 0.000 0.452 142 N N 0.491 119.177 118.700 -0.024 0.000 2.512 142 N HA -0.066 4.673 4.740 -0.001 0.000 0.183 142 N C -0.046 175.485 175.510 0.035 0.000 1.073 142 N CA 0.641 53.686 53.050 -0.008 0.000 0.911 142 N CB 0.244 38.712 38.487 -0.031 0.000 0.964 142 N HN 0.037 nan 8.380 nan 0.000 0.447 143 K N -0.240 120.207 120.400 0.079 0.000 3.271 143 K HA 0.252 4.571 4.320 -0.001 0.000 0.192 143 K C 0.108 176.805 176.600 0.162 0.000 1.108 143 K CA -0.199 56.162 56.287 0.122 0.000 0.902 143 K CB 1.147 33.743 32.500 0.159 0.000 0.889 143 K HN 0.099 nan 8.250 nan 0.000 0.520 144 G N 0.907 109.729 108.800 0.036 0.000 2.162 144 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.260 144 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.260 144 G C 0.609 175.447 174.900 -0.102 0.000 0.976 144 G CA 0.349 45.331 45.100 -0.196 0.000 0.655 144 G HN 0.511 nan 8.290 nan 0.000 0.533 145 F N 1.557 121.527 119.950 0.034 0.000 2.091 145 F HA -0.106 4.420 4.527 -0.001 0.000 0.299 145 F C 2.427 178.295 175.800 0.114 0.000 1.103 145 F CA 2.578 60.645 58.000 0.112 0.000 1.228 145 F CB 0.071 39.109 39.000 0.064 0.000 0.984 145 F HN 0.241 nan 8.300 nan 0.000 0.477 146 E N 0.281 120.520 120.200 0.065 0.000 2.077 146 E HA -0.248 4.101 4.350 -0.001 0.000 0.193 146 E C 2.355 178.886 176.600 -0.115 0.000 0.989 146 E CA 1.358 57.765 56.400 0.012 0.000 0.800 146 E CB -0.623 29.132 29.700 0.092 0.000 0.746 146 E HN 0.501 nan 8.360 nan 0.000 0.452 147 R N -0.026 120.361 120.500 -0.189 0.000 2.073 147 R HA -0.166 4.174 4.340 -0.001 0.000 0.234 147 R C 2.170 178.355 176.300 -0.191 0.000 1.134 147 R CA 1.310 57.264 56.100 -0.244 0.000 0.952 147 R CB -0.253 29.826 30.300 -0.368 0.000 0.850 147 R HN 0.128 nan 8.270 nan 0.000 0.433 148 Y N -0.420 119.823 120.300 -0.096 0.000 2.263 148 Y HA -0.129 4.420 4.550 -0.001 0.000 0.292 148 Y C 1.995 177.818 175.900 -0.127 0.000 1.130 148 Y CA 0.628 58.670 58.100 -0.097 0.000 1.179 148 Y CB -0.755 37.668 38.460 -0.062 0.000 0.998 148 Y HN 0.103 nan 8.280 nan 0.000 0.532 149 F N 1.436 121.173 119.950 -0.356 0.000 2.102 149 F HA -0.161 4.365 4.527 -0.001 0.000 0.298 149 F C 2.320 177.986 175.800 -0.223 0.000 1.105 149 F CA 1.678 59.417 58.000 -0.435 0.000 1.239 149 F CB -0.629 37.875 39.000 -0.826 0.000 0.991 149 F HN -0.013 nan 8.300 nan 0.000 0.474 150 K N 0.075 120.301 120.400 -0.289 0.000 2.063 150 K HA -0.282 4.037 4.320 -0.001 0.000 0.208 150 K C 2.156 178.640 176.600 -0.193 0.000 1.048 150 K CA 1.891 57.992 56.287 -0.309 0.000 0.928 150 K CB -0.315 32.064 32.500 -0.201 0.000 0.713 150 K HN 0.239 nan 8.250 nan 0.000 0.442 151 E N 0.398 120.544 120.200 -0.090 0.000 2.077 151 E HA -0.123 4.226 4.350 -0.001 0.000 0.193 151 E C 1.635 178.210 176.600 -0.041 0.000 0.989 151 E CA 1.537 57.915 56.400 -0.036 0.000 0.800 151 E CB -0.270 29.456 29.700 0.042 0.000 0.746 151 E HN 0.397 nan 8.360 nan 0.000 0.452 152 A N 0.715 123.519 122.820 -0.027 0.000 1.902 152 A HA -0.178 4.142 4.320 -0.001 0.000 0.217 152 A C 2.235 179.785 177.584 -0.058 0.000 1.181 152 A CA 1.649 53.681 52.037 -0.008 0.000 0.623 152 A CB -0.486 18.555 19.000 0.069 0.000 0.818 152 A HN 0.209 nan 8.150 nan 0.000 0.443 153 R N -0.687 119.713 120.500 -0.166 0.000 2.096 153 R HA -0.081 4.258 4.340 -0.001 0.000 0.235 153 R C 2.438 178.665 176.300 -0.122 0.000 1.127 153 R CA 1.177 57.154 56.100 -0.204 0.000 0.968 153 R CB -0.397 29.664 30.300 -0.398 0.000 0.861 153 R HN 0.526 nan 8.270 nan 0.000 0.440 154 A N 0.853 123.607 122.820 -0.109 0.000 1.930 154 A HA -0.081 4.238 4.320 -0.001 0.000 0.217 154 A C 2.098 179.657 177.584 -0.042 0.000 1.175 154 A CA 0.982 52.977 52.037 -0.070 0.000 0.627 154 A CB -0.333 18.628 19.000 -0.065 0.000 0.815 154 A HN 0.170 nan 8.150 nan 0.000 0.443 155 L N -1.300 119.902 121.223 -0.034 0.000 2.156 155 L HA -0.059 4.280 4.340 -0.001 0.000 0.208 155 L C 2.315 179.180 176.870 -0.008 0.000 1.095 155 L CA 0.844 55.675 54.840 -0.016 0.000 0.770 155 L CB -0.213 41.840 42.059 -0.009 0.000 0.914 155 L HN 0.360 nan 8.230 nan 0.000 0.439 156 L N -2.380 118.836 121.223 -0.012 0.000 2.453 156 L HA 0.403 4.742 4.340 -0.001 0.000 0.190 156 L C 1.086 177.960 176.870 0.008 0.000 1.093 156 L CA 0.551 55.392 54.840 0.002 0.000 0.834 156 L CB 0.222 42.284 42.059 0.005 0.000 1.090 156 L HN 0.321 nan 8.230 nan 0.000 0.489 157 G N -1.523 107.277 108.800 -0.001 0.000 2.292 157 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.194 157 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.194 157 G C -1.638 173.288 174.900 0.044 0.000 1.329 157 G CA -0.428 44.689 45.100 0.028 0.000 1.100 157 G HN -0.078 nan 8.290 nan 0.000 0.470 158 Y N 2.255 122.534 120.300 -0.035 0.000 2.717 158 Y HA 0.425 4.974 4.550 -0.002 0.000 0.330 158 Y C 0.655 176.552 175.900 -0.005 0.000 1.217 158 Y CA 1.219 59.302 58.100 -0.028 0.000 1.506 158 Y CB 0.554 39.001 38.460 -0.021 0.000 1.268 158 Y HN 1.083 nan 8.280 nan 0.000 0.561 159 G N 4.643 113.123 108.800 -0.532 0.000 2.667 159 G HA2 0.555 4.514 3.960 -0.001 0.000 0.298 159 G HA3 0.555 4.514 3.960 -0.001 0.000 0.298 159 G C -2.230 172.466 174.900 -0.339 0.000 1.377 159 G CA -0.650 44.269 45.100 -0.301 0.000 0.964 159 G HN 0.852 nan 8.290 nan 0.000 0.493 160 V N 1.822 121.678 119.914 -0.096 0.000 2.932 160 V HA 0.569 4.689 4.120 -0.001 0.000 0.307 160 V C -0.490 175.608 176.094 0.008 0.000 1.147 160 V CA -0.644 61.645 62.300 -0.017 0.000 0.951 160 V CB 2.085 33.813 31.823 -0.157 0.000 1.031 160 V HN 0.740 nan 8.190 nan 0.000 0.426 161 V N 6.695 126.613 119.914 0.007 0.000 2.599 161 V HA 0.104 4.223 4.120 -0.001 0.000 0.300 161 V C 1.161 177.238 176.094 -0.028 0.000 1.034 161 V CA 1.112 63.364 62.300 -0.081 0.000 1.115 161 V CB 1.272 33.068 31.823 -0.045 0.000 0.934 161 V HN 1.048 nan 8.190 nan 0.000 0.485 162 V N 2.115 122.012 119.914 -0.029 0.000 3.556 162 V HA 0.562 4.681 4.120 -0.001 0.000 0.287 162 V C 0.394 176.489 176.094 0.002 0.000 1.422 162 V CA -0.008 62.300 62.300 0.013 0.000 1.038 162 V CB 0.206 32.065 31.823 0.059 0.000 0.850 162 V HN 0.729 nan 8.190 nan 0.000 0.437 163 R N 1.403 121.882 120.500 -0.036 0.000 2.634 163 R HA 0.677 5.016 4.340 -0.001 0.000 0.263 163 R C -1.298 174.952 176.300 -0.083 0.000 1.060 163 R CA -0.458 55.615 56.100 -0.046 0.000 0.898 163 R CB 1.603 31.877 30.300 -0.043 0.000 1.253 163 R HN 0.632 nan 8.270 nan 0.000 0.461 164 R N 1.202 121.665 120.500 -0.062 0.000 2.651 164 R HA 0.728 5.067 4.340 -0.001 0.000 0.278 164 R C -1.385 174.899 176.300 -0.027 0.000 1.010 164 R CA -1.049 55.008 56.100 -0.072 0.000 0.896 164 R CB 2.325 32.579 30.300 -0.077 0.000 1.211 164 R HN 0.455 nan 8.270 nan 0.000 0.456 165 E N 1.627 121.829 120.200 0.002 0.000 2.334 165 E HA 0.368 4.717 4.350 -0.001 0.000 0.280 165 E C 0.306 176.958 176.600 0.087 0.000 0.899 165 E CA 0.581 57.012 56.400 0.052 0.000 0.813 165 E CB 1.329 31.074 29.700 0.075 0.000 1.318 165 E HN 0.958 nan 8.360 nan 0.000 0.399 166 G N 5.594 114.407 108.800 0.020 0.000 2.622 166 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.307 166 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.307 166 G C -1.212 173.586 174.900 -0.171 0.000 1.226 166 G CA 0.220 45.291 45.100 -0.048 0.000 0.997 166 G HN 0.622 nan 8.290 nan 0.000 0.551 167 P HA 0.210 nan 4.420 nan 0.000 0.249 167 P C -0.149 176.835 177.300 -0.526 0.000 1.229 167 P CA 0.540 63.366 63.100 -0.457 0.000 0.788 167 P CB 0.076 31.447 31.700 -0.549 0.000 1.072 168 Y N 0.735 120.954 120.300 -0.135 0.000 2.301 168 Y HA 0.512 5.061 4.550 -0.001 0.000 0.325 168 Y C 1.287 176.991 175.900 -0.325 0.000 1.203 168 Y CA -0.309 57.671 58.100 -0.200 0.000 1.255 168 Y CB 0.813 39.198 38.460 -0.125 0.000 1.232 168 Y HN -0.276 nan 8.280 nan 0.000 0.501 169 R N 1.067 121.342 120.500 -0.375 0.000 2.651 169 R HA 0.664 5.003 4.340 -0.001 0.000 0.278 169 R C -1.884 174.120 176.300 -0.493 0.000 1.010 169 R CA -1.046 54.663 56.100 -0.652 0.000 0.896 169 R CB 2.119 31.477 30.300 -1.569 0.000 1.211 169 R HN 0.485 nan 8.270 nan 0.000 0.456 170 V N 1.337 121.081 119.914 -0.284 0.000 2.540 170 V HA 0.776 4.895 4.120 -0.001 0.000 0.302 170 V C -0.139 175.900 176.094 -0.091 0.000 1.035 170 V CA -0.887 61.347 62.300 -0.111 0.000 0.873 170 V CB 1.752 33.556 31.823 -0.032 0.000 0.992 170 V HN 0.904 nan 8.190 nan 0.000 0.428 171 A N 4.298 127.090 122.820 -0.048 0.000 2.354 171 A HA 0.961 5.281 4.320 -0.001 0.000 0.321 171 A C -1.350 176.193 177.584 -0.069 0.000 1.125 171 A CA -0.642 51.296 52.037 -0.164 0.000 0.799 171 A CB 1.637 20.260 19.000 -0.628 0.000 1.293 171 A HN 0.765 nan 8.150 nan 0.000 0.452 172 L N 1.304 122.458 121.223 -0.115 0.000 2.341 172 L HA 0.787 5.126 4.340 -0.001 0.000 0.278 172 L C -1.371 175.418 176.870 -0.134 0.000 1.005 172 L CA -0.335 54.358 54.840 -0.245 0.000 0.818 172 L CB 1.206 43.064 42.059 -0.336 0.000 1.259 172 L HN 0.597 nan 8.230 nan 0.000 0.418 173 L N 3.578 124.721 121.223 -0.134 0.000 2.354 173 L HA 0.642 4.981 4.340 -0.001 0.000 0.264 173 L C -0.471 176.357 176.870 -0.070 0.000 1.008 173 L CA -0.455 54.355 54.840 -0.049 0.000 0.819 173 L CB 1.927 43.996 42.059 0.016 0.000 1.339 173 L HN 0.583 nan 8.230 nan 0.000 0.420 174 E N 1.465 121.666 120.200 0.002 0.000 2.199 174 E HA 0.281 4.630 4.350 -0.001 0.000 0.269 174 E C -1.109 175.504 176.600 0.022 0.000 0.899 174 E CA -0.893 55.503 56.400 -0.006 0.000 0.772 174 E CB 1.622 31.339 29.700 0.027 0.000 1.155 174 E HN 0.481 nan 8.360 nan 0.000 0.408 175 K N 3.793 124.206 120.400 0.023 0.000 2.338 175 K HA 0.065 4.384 4.320 -0.001 0.000 0.290 175 K C 0.005 176.628 176.600 0.038 0.000 1.069 175 K CA 0.365 56.673 56.287 0.035 0.000 0.941 175 K CB 0.473 33.001 32.500 0.047 0.000 1.023 175 K HN 0.547 nan 8.250 nan 0.000 0.477 176 E N 3.812 124.032 120.200 0.033 0.000 2.601 176 E HA 0.025 4.374 4.350 -0.001 0.000 0.219 176 E C -0.592 176.021 176.600 0.023 0.000 0.964 176 E CA -0.031 56.387 56.400 0.029 0.000 1.050 176 E CB 0.720 30.439 29.700 0.031 0.000 1.068 176 E HN 0.567 nan 8.360 nan 0.000 0.496 177 K N 0.396 120.809 120.400 0.021 0.000 2.509 177 K HA 0.472 4.791 4.320 -0.001 0.000 0.266 177 K C -0.841 175.771 176.600 0.019 0.000 0.987 177 K CA -0.893 55.404 56.287 0.016 0.000 0.868 177 K CB 1.852 34.358 32.500 0.010 0.000 1.421 177 K HN -0.320 nan 8.250 nan 0.000 0.444 178 E N 0.917 121.126 120.200 0.016 0.000 2.360 178 E HA 0.280 4.629 4.350 -0.001 0.000 0.269 178 E C -0.656 175.954 176.600 0.017 0.000 1.022 178 E CA 0.198 56.609 56.400 0.019 0.000 0.887 178 E CB 1.058 30.768 29.700 0.016 0.000 0.990 178 E HN 0.657 nan 8.360 nan 0.000 0.426 179 A N 5.520 128.353 122.820 0.022 0.000 2.407 179 A HA 0.397 4.716 4.320 -0.001 0.000 0.248 179 A C -1.931 175.662 177.584 0.015 0.000 1.082 179 A CA -1.007 51.042 52.037 0.020 0.000 0.785 179 A CB -0.307 18.711 19.000 0.029 0.000 1.020 179 A HN 0.579 nan 8.150 nan 0.000 0.489 180 P HA 0.430 nan 4.420 nan 0.000 0.277 180 P C -2.754 174.549 177.300 0.005 0.000 1.271 180 P CA -1.443 61.658 63.100 0.003 0.000 0.795 180 P CB -0.562 31.136 31.700 -0.005 0.000 1.101 181 P HA 0.170 nan 4.420 nan 0.000 0.272 181 P C -0.006 177.286 177.300 -0.014 0.000 1.230 181 P CA -0.137 62.963 63.100 0.001 0.000 0.788 181 P CB 0.244 31.942 31.700 -0.002 0.000 0.949 182 L N 2.967 124.180 121.223 -0.017 0.000 2.514 182 L HA 0.100 4.440 4.340 -0.001 0.000 0.280 182 L C -1.611 175.208 176.870 -0.084 0.000 1.223 182 L CA -1.301 53.504 54.840 -0.059 0.000 0.864 182 L CB -0.566 41.450 42.059 -0.072 0.000 1.118 182 L HN 0.340 nan 8.230 nan 0.000 0.494 183 P HA 0.029 nan 4.420 nan 0.000 0.272 183 P C -0.561 176.652 177.300 -0.144 0.000 1.240 183 P CA -0.467 62.562 63.100 -0.117 0.000 0.791 183 P CB 0.575 32.195 31.700 -0.133 0.000 0.978 184 S N 0.248 115.890 115.700 -0.096 0.000 2.546 184 S HA 0.065 4.534 4.470 -0.001 0.000 0.290 184 S C 0.982 175.494 174.600 -0.147 0.000 1.290 184 S CA -0.129 58.025 58.200 -0.076 0.000 1.069 184 S CB -0.603 62.581 63.200 -0.026 0.000 0.846 184 S HN 0.313 nan 8.310 nan 0.000 0.495 185 L N 3.706 124.819 121.223 -0.183 0.000 2.537 185 L HA 0.360 4.700 4.340 -0.001 0.000 0.224 185 L C 0.117 176.807 176.870 -0.300 0.000 1.065 185 L CA -0.232 54.382 54.840 -0.376 0.000 0.860 185 L CB 0.061 41.702 42.059 -0.697 0.000 1.086 185 L HN 0.573 nan 8.230 nan 0.000 0.482 186 W N 1.120 122.369 121.300 -0.086 0.000 2.315 186 W HA 0.471 5.130 4.660 -0.002 0.000 0.316 186 W C 0.419 176.876 176.519 -0.104 0.000 1.211 186 W CA -0.210 57.102 57.345 -0.055 0.000 1.201 186 W CB 0.783 30.242 29.460 -0.000 0.000 1.184 186 W HN -0.169 nan 8.180 nan 0.000 0.544 187 R N 1.889 122.421 120.500 0.053 0.000 2.854 187 R HA 0.895 5.234 4.340 -0.001 0.000 0.271 187 R C -0.847 175.339 176.300 -0.189 0.000 0.996 187 R CA -1.075 54.951 56.100 -0.123 0.000 0.961 187 R CB 1.965 32.104 30.300 -0.267 0.000 1.182 187 R HN 0.514 nan 8.270 nan 0.000 0.479 188 A N 1.764 124.485 122.820 -0.165 0.000 2.515 188 A HA 0.784 5.103 4.320 -0.001 0.000 0.298 188 A C -1.379 176.181 177.584 -0.041 0.000 1.059 188 A CA -0.661 51.188 52.037 -0.315 0.000 0.698 188 A CB 1.122 19.796 19.000 -0.543 0.000 1.289 188 A HN 0.650 nan 8.150 nan 0.000 0.404 189 F N -0.554 119.308 119.950 -0.147 0.000 2.645 189 F HA 0.832 5.359 4.527 -0.001 0.000 0.310 189 F C -0.353 175.477 175.800 0.051 0.000 1.102 189 F CA -0.717 57.269 58.000 -0.022 0.000 0.952 189 F CB 1.239 40.260 39.000 0.034 0.000 1.326 189 F HN 0.372 nan 8.300 nan 0.000 0.456 190 S N 1.030 116.834 115.700 0.173 0.000 2.608 190 S HA 0.935 5.404 4.470 -0.001 0.000 0.291 190 S C -0.663 174.129 174.600 0.320 0.000 1.146 190 S CA -0.256 58.010 58.200 0.110 0.000 1.043 190 S CB 1.524 64.765 63.200 0.068 0.000 1.037 190 S HN 1.099 nan 8.310 nan 0.000 0.520 191 A N 1.797 124.790 122.820 0.288 0.000 2.574 191 A HA 0.689 5.008 4.320 -0.001 0.000 0.297 191 A C -0.925 176.842 177.584 0.305 0.000 1.062 191 A CA -0.770 51.486 52.037 0.366 0.000 0.686 191 A CB 1.234 20.569 19.000 0.558 0.000 1.285 191 A HN 0.738 nan 8.150 nan 0.000 0.403 192 R N 1.809 122.454 120.500 0.241 0.000 2.229 192 R HA 0.682 5.021 4.340 -0.001 0.000 0.332 192 R C -1.473 174.973 176.300 0.243 0.000 0.989 192 R CA -0.282 55.944 56.100 0.210 0.000 0.842 192 R CB 0.366 30.741 30.300 0.125 0.000 1.119 192 R HN 0.647 nan 8.270 nan 0.000 0.456 193 I N 5.978 126.745 120.570 0.328 0.000 2.436 193 I HA 0.178 4.347 4.170 -0.001 0.000 0.289 193 I C 0.335 176.589 176.117 0.229 0.000 1.010 193 I CA -0.862 60.592 61.300 0.257 0.000 1.098 193 I CB 1.896 40.024 38.000 0.213 0.000 1.266 193 I HN 0.714 nan 8.210 nan 0.000 0.434 194 L N 6.978 128.282 121.223 0.135 0.000 3.833 194 L HA -0.306 4.033 4.340 -0.001 0.000 0.447 194 L C 1.196 178.127 176.870 0.100 0.000 1.213 194 L CA 0.888 55.787 54.840 0.099 0.000 0.801 194 L CB -1.717 40.392 42.059 0.082 0.000 1.676 194 L HN 1.183 nan 8.230 nan 0.000 0.883 195 G N -2.004 106.851 108.800 0.092 0.000 2.179 195 G HA2 -0.074 3.885 3.960 -0.001 0.000 0.260 195 G HA3 -0.074 3.885 3.960 -0.001 0.000 0.260 195 G C 0.202 175.125 174.900 0.039 0.000 0.977 195 G CA 0.080 45.215 45.100 0.058 0.000 0.641 195 G HN 1.409 nan 8.290 nan 0.000 0.533 196 A N -0.333 122.526 122.820 0.065 0.000 2.374 196 A HA 0.778 5.097 4.320 -0.001 0.000 0.317 196 A C -0.235 177.266 177.584 -0.138 0.000 1.094 196 A CA -0.553 51.442 52.037 -0.070 0.000 0.765 196 A CB 1.263 20.192 19.000 -0.118 0.000 1.268 196 A HN 0.153 nan 8.150 nan 0.000 0.438 197 E N 0.758 120.775 120.200 -0.305 0.000 2.227 197 E HA 0.471 4.820 4.350 -0.001 0.000 0.282 197 E C -1.613 174.655 176.600 -0.553 0.000 1.015 197 E CA 0.269 56.521 56.400 -0.247 0.000 0.823 197 E CB 1.189 30.796 29.700 -0.155 0.000 1.081 197 E HN 0.523 nan 8.360 nan 0.000 0.396 198 Y N -0.066 120.156 120.300 -0.130 0.000 2.477 198 Y HA 0.299 4.848 4.550 -0.001 0.000 0.347 198 Y C 0.227 175.877 175.900 -0.417 0.000 0.981 198 Y CA -0.791 57.100 58.100 -0.347 0.000 1.033 198 Y CB 2.257 40.376 38.460 -0.568 0.000 1.245 198 Y HN 0.140 nan 8.280 nan 0.000 0.455 199 T N 4.069 118.428 114.554 -0.326 0.000 2.809 199 T HA 0.461 4.810 4.350 -0.001 0.000 0.296 199 T C -0.864 173.565 174.700 -0.452 0.000 1.015 199 T CA -0.591 61.307 62.100 -0.336 0.000 0.954 199 T CB -0.201 68.574 68.868 -0.154 0.000 0.950 199 T HN 0.214 nan 8.240 nan 0.000 0.450 200 F N 2.262 121.923 119.950 -0.481 0.000 2.375 200 F HA 0.489 5.016 4.527 -0.001 0.000 0.333 200 F C 0.906 176.418 175.800 -0.479 0.000 1.104 200 F CA -0.513 57.234 58.000 -0.422 0.000 1.149 200 F CB 0.805 39.362 39.000 -0.739 0.000 1.190 200 F HN 0.531 nan 8.300 nan 0.000 0.533 201 H N -0.151 118.974 119.070 0.091 0.000 2.679 201 H HA 0.548 5.104 4.556 -0.001 0.000 0.360 201 H C -1.083 174.474 175.328 0.382 0.000 1.105 201 H CA -0.865 55.267 56.048 0.139 0.000 1.196 201 H CB 1.410 31.220 29.762 0.081 0.000 1.636 201 H HN 0.665 nan 8.280 nan 0.000 0.531 202 H N 0.514 119.884 119.070 0.499 0.000 3.042 202 H HA 0.499 5.054 4.556 -0.001 0.000 0.346 202 H C -1.570 173.762 175.328 0.006 0.000 1.294 202 H CA -0.994 55.241 56.048 0.311 0.000 1.141 202 H CB 0.640 30.468 29.762 0.111 0.000 1.872 202 H HN 0.402 nan 8.280 nan 0.000 0.541 203 L N 1.255 122.403 121.223 -0.124 0.000 2.469 203 L HA 0.483 4.822 4.340 -0.001 0.000 0.253 203 L C -2.029 174.909 176.870 0.113 0.000 1.143 203 L CA -2.178 52.481 54.840 -0.300 0.000 0.804 203 L CB 0.673 42.531 42.059 -0.334 0.000 1.214 203 L HN 0.526 nan 8.230 nan 0.000 0.476 204 P HA 0.125 nan 4.420 nan 0.000 0.269 204 P C 0.444 177.939 177.300 0.325 0.000 1.215 204 P CA 0.507 63.731 63.100 0.208 0.000 0.780 204 P CB 0.727 32.517 31.700 0.151 0.000 0.898 205 G N 0.167 109.075 108.800 0.181 0.000 2.194 205 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.236 205 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.236 205 G C 0.206 175.094 174.900 -0.020 0.000 0.987 205 G CA 0.098 45.202 45.100 0.008 0.000 0.635 205 G HN 0.692 nan 8.290 nan 0.000 0.520 206 V N -0.954 118.984 119.914 0.041 0.000 3.096 206 V HA 0.676 4.795 4.120 -0.001 0.000 0.306 206 V C 1.004 177.136 176.094 0.065 0.000 1.088 206 V CA -0.572 61.775 62.300 0.077 0.000 1.129 206 V CB 0.780 32.700 31.823 0.162 0.000 1.014 206 V HN 0.996 nan 8.190 nan 0.000 0.486 207 F N 3.443 123.373 119.950 -0.033 0.000 2.529 207 F HA 0.376 4.903 4.527 -0.001 0.000 0.365 207 F C 1.347 177.144 175.800 -0.004 0.000 1.102 207 F CA 1.034 58.997 58.000 -0.061 0.000 1.271 207 F CB 0.298 39.238 39.000 -0.100 0.000 1.120 207 F HN 1.118 nan 8.300 nan 0.000 0.579 208 S N 3.562 118.710 115.700 -0.920 0.000 3.628 208 S HA -0.193 4.276 4.470 -0.001 0.000 0.373 208 S C -0.017 174.426 174.600 -0.261 0.000 0.968 208 S CA 0.041 57.819 58.200 -0.704 0.000 1.215 208 S CB -1.712 60.975 63.200 -0.855 0.000 0.912 208 S HN 1.488 nan 8.310 nan 0.000 0.495 209 A N 0.798 123.439 122.820 -0.298 0.000 2.540 209 A HA 0.500 4.819 4.320 -0.001 0.000 0.239 209 A C 1.907 179.327 177.584 -0.273 0.000 1.061 209 A CA 0.652 52.442 52.037 -0.411 0.000 0.758 209 A CB -0.671 18.196 19.000 -0.222 0.000 0.991 209 A HN 2.328 nan 8.150 nan 0.000 0.502 210 G N 1.070 109.761 108.800 -0.182 0.000 2.205 210 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.261 210 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.261 210 G C 0.093 174.161 174.900 -1.388 0.000 0.980 210 G CA 0.973 45.764 45.100 -0.515 0.000 0.632 210 G HN 1.805 nan 8.290 nan 0.000 0.533 211 K N -1.267 118.319 120.400 -1.357 0.000 2.587 211 K HA 0.647 4.967 4.320 -0.001 0.000 0.276 211 K C -0.768 175.639 176.600 -0.322 0.000 0.956 211 K CA -1.022 54.696 56.287 -0.948 0.000 0.857 211 K CB 1.693 33.944 32.500 -0.415 0.000 1.431 211 K HN 0.292 nan 8.250 nan 0.000 0.420 212 V N 1.731 121.660 119.914 0.024 0.000 2.508 212 V HA 0.004 4.123 4.120 -0.001 0.000 0.281 212 V C 0.070 176.154 176.094 -0.016 0.000 1.041 212 V CA -0.007 62.341 62.300 0.081 0.000 1.016 212 V CB 0.774 32.672 31.823 0.124 0.000 0.984 212 V HN 0.849 nan 8.190 nan 0.000 0.478 213 D N 6.485 126.861 120.400 -0.040 0.000 2.458 213 D HA 0.109 4.749 4.640 -0.001 0.000 0.243 213 D C -1.472 174.791 176.300 -0.061 0.000 1.146 213 D CA -1.004 52.965 54.000 -0.051 0.000 0.877 213 D CB 1.438 42.282 40.800 0.074 0.000 1.176 213 D HN 0.275 nan 8.370 nan 0.000 0.461 214 P HA -0.178 nan 4.420 nan 0.000 0.217 214 P C 0.773 177.947 177.300 -0.209 0.000 1.148 214 P CA 1.379 64.461 63.100 -0.031 0.000 0.828 214 P CB 0.096 31.891 31.700 0.158 0.000 0.783 215 A N -0.675 121.763 122.820 -0.636 0.000 1.902 215 A HA -0.162 4.157 4.320 -0.001 0.000 0.217 215 A C 2.335 179.752 177.584 -0.279 0.000 1.181 215 A CA 2.100 53.684 52.037 -0.756 0.000 0.623 215 A CB -1.460 16.913 19.000 -1.045 0.000 0.818 215 A HN 0.142 nan 8.150 nan 0.000 0.443 216 S N 0.098 115.693 115.700 -0.176 0.000 2.368 216 S HA -0.113 4.356 4.470 -0.001 0.000 0.225 216 S C 1.827 176.376 174.600 -0.085 0.000 1.030 216 S CA 1.478 59.614 58.200 -0.107 0.000 0.999 216 S CB -0.508 62.649 63.200 -0.073 0.000 0.844 216 S HN 0.499 nan 8.310 nan 0.000 0.459 217 L N 0.659 121.846 121.223 -0.060 0.000 2.012 217 L HA -0.132 4.207 4.340 -0.001 0.000 0.210 217 L C 2.417 179.273 176.870 -0.023 0.000 1.073 217 L CA 0.884 55.711 54.840 -0.022 0.000 0.748 217 L CB -0.554 41.513 42.059 0.013 0.000 0.891 217 L HN 0.258 nan 8.230 nan 0.000 0.431 218 L N -0.248 120.961 121.223 -0.023 0.000 2.042 218 L HA -0.236 4.103 4.340 -0.001 0.000 0.210 218 L C 2.337 179.196 176.870 -0.019 0.000 1.076 218 L CA 1.556 56.398 54.840 0.004 0.000 0.749 218 L CB -0.420 41.668 42.059 0.049 0.000 0.893 218 L HN 0.155 nan 8.230 nan 0.000 0.432 219 L N -1.508 119.683 121.223 -0.054 0.000 2.017 219 L HA -0.236 4.103 4.340 -0.001 0.000 0.208 219 L C 2.367 179.158 176.870 -0.132 0.000 1.073 219 L CA 1.491 56.288 54.840 -0.073 0.000 0.745 219 L CB -0.188 41.814 42.059 -0.094 0.000 0.894 219 L HN 0.274 nan 8.230 nan 0.000 0.432 220 L N -0.506 120.646 121.223 -0.118 0.000 2.083 220 L HA -0.217 4.122 4.340 -0.001 0.000 0.209 220 L C 2.511 179.318 176.870 -0.104 0.000 1.083 220 L CA 1.415 56.177 54.840 -0.130 0.000 0.752 220 L CB -0.577 41.433 42.059 -0.082 0.000 0.899 220 L HN 0.333 nan 8.230 nan 0.000 0.433 221 E N 0.218 120.384 120.200 -0.056 0.000 2.051 221 E HA -0.227 4.123 4.350 -0.001 0.000 0.192 221 E C 2.316 178.893 176.600 -0.038 0.000 0.991 221 E CA 1.239 57.621 56.400 -0.029 0.000 0.799 221 E CB -0.197 29.503 29.700 -0.001 0.000 0.748 221 E HN 0.499 nan 8.360 nan 0.000 0.449 222 A N 1.246 124.045 122.820 -0.034 0.000 1.933 222 A HA -0.149 4.170 4.320 -0.001 0.000 0.218 222 A C 2.177 179.741 177.584 -0.034 0.000 1.175 222 A CA 0.954 52.993 52.037 0.004 0.000 0.628 222 A CB -0.582 18.462 19.000 0.074 0.000 0.814 222 A HN 0.267 nan 8.150 nan 0.000 0.444 223 L N -0.804 120.272 121.223 -0.245 0.000 2.027 223 L HA -0.224 4.115 4.340 -0.001 0.000 0.206 223 L C 2.741 179.486 176.870 -0.209 0.000 1.074 223 L CA 2.280 56.802 54.840 -0.530 0.000 0.745 223 L CB -0.355 41.198 42.059 -0.843 0.000 0.898 223 L HN 0.597 nan 8.230 nan 0.000 0.433 224 Q N -0.380 119.338 119.800 -0.137 0.000 2.119 224 Q HA -0.257 4.083 4.340 -0.001 0.000 0.201 224 Q C 1.974 177.957 176.000 -0.028 0.000 0.972 224 Q CA 1.873 57.639 55.803 -0.062 0.000 0.847 224 Q CB -0.010 28.706 28.738 -0.038 0.000 0.903 224 Q HN 0.603 nan 8.270 nan 0.000 0.433 225 E N -0.106 120.078 120.200 -0.026 0.000 2.077 225 E HA -0.227 4.123 4.350 -0.001 0.000 0.193 225 E C 2.059 178.653 176.600 -0.010 0.000 0.989 225 E CA 1.202 57.594 56.400 -0.012 0.000 0.800 225 E CB -0.038 29.657 29.700 -0.010 0.000 0.746 225 E HN 0.222 nan 8.360 nan 0.000 0.452 226 R N 0.587 121.087 120.500 0.001 0.000 2.073 226 R HA -0.044 4.296 4.340 -0.001 0.000 0.229 226 R C 1.921 178.238 176.300 0.029 0.000 1.120 226 R CA 1.051 57.150 56.100 -0.001 0.000 0.967 226 R CB 0.063 30.374 30.300 0.018 0.000 0.862 226 R HN 0.127 nan 8.270 nan 0.000 0.436 227 L N -0.505 120.752 121.223 0.056 0.000 2.513 227 L HA 0.379 4.718 4.340 -0.001 0.000 0.222 227 L C 0.692 177.584 176.870 0.038 0.000 1.096 227 L CA 0.082 54.964 54.840 0.070 0.000 0.857 227 L CB 0.214 42.335 42.059 0.103 0.000 1.026 227 L HN 0.497 nan 8.230 nan 0.000 0.469 228 G N 0.865 109.676 108.800 0.018 0.000 2.712 228 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.686 228 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.686 228 G C -2.191 172.717 174.900 0.013 0.000 1.321 228 G CA -0.400 44.709 45.100 0.014 0.000 0.813 228 G HN -0.023 nan 8.290 nan 0.000 0.599 229 P HA -0.014 nan 4.420 nan 0.000 0.222 229 P C 0.926 178.239 177.300 0.021 0.000 1.147 229 P CA 1.320 64.429 63.100 0.016 0.000 0.790 229 P CB 0.265 31.975 31.700 0.017 0.000 0.780 230 E N -0.827 119.386 120.200 0.023 0.000 2.481 230 E HA 0.128 4.477 4.350 -0.001 0.000 0.198 230 E C 1.927 178.547 176.600 0.033 0.000 1.027 230 E CA 0.184 56.600 56.400 0.027 0.000 0.900 230 E CB -0.416 29.298 29.700 0.024 0.000 0.993 230 E HN 0.258 nan 8.360 nan 0.000 0.482 231 G N 0.456 109.277 108.800 0.035 0.000 2.679 231 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.212 231 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.212 231 G C 1.400 176.336 174.900 0.061 0.000 1.137 231 G CA 0.195 45.326 45.100 0.050 0.000 0.787 231 G HN 0.151 nan 8.290 nan 0.000 0.534 232 V N -0.591 119.352 119.914 0.048 0.000 3.635 232 V HA 0.263 4.382 4.120 -0.001 0.000 0.266 232 V C 1.329 177.455 176.094 0.054 0.000 1.316 232 V CA -0.432 61.899 62.300 0.053 0.000 1.060 232 V CB 0.022 31.864 31.823 0.031 0.000 0.820 232 V HN 0.276 nan 8.190 nan 0.000 0.447 233 R N 0.688 121.216 120.500 0.046 0.000 2.484 233 R HA 0.296 4.635 4.340 -0.001 0.000 0.293 233 R C 1.357 177.683 176.300 0.045 0.000 1.023 233 R CA 1.197 57.322 56.100 0.043 0.000 1.037 233 R CB 0.099 30.420 30.300 0.035 0.000 0.951 233 R HN 0.435 nan 8.270 nan 0.000 0.418 234 G N 3.538 112.365 108.800 0.045 0.000 2.189 234 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.267 234 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.267 234 G C -0.095 174.835 174.900 0.051 0.000 0.975 234 G CA 0.153 45.279 45.100 0.043 0.000 0.644 234 G HN 0.532 nan 8.290 nan 0.000 0.537 235 R N 0.401 120.940 120.500 0.065 0.000 2.459 235 R HA 0.432 4.772 4.340 -0.001 0.000 0.281 235 R C 0.389 176.751 176.300 0.103 0.000 1.050 235 R CA -0.409 55.740 56.100 0.082 0.000 1.055 235 R CB 0.493 30.850 30.300 0.096 0.000 1.045 235 R HN 0.513 nan 8.270 nan 0.000 0.495 236 Q N 1.107 120.981 119.800 0.122 0.000 2.294 236 Q HA 0.326 4.666 4.340 -0.001 0.000 0.257 236 Q C -0.596 175.602 176.000 0.330 0.000 0.955 236 Q CA -0.307 55.613 55.803 0.195 0.000 0.936 236 Q CB 1.598 30.398 28.738 0.103 0.000 1.188 236 Q HN 0.214 nan 8.270 nan 0.000 0.420 237 V N 3.814 123.910 119.914 0.303 0.000 2.555 237 V HA 0.386 4.505 4.120 -0.001 0.000 0.302 237 V C -0.847 175.236 176.094 -0.018 0.000 1.038 237 V CA -0.881 61.522 62.300 0.172 0.000 0.887 237 V CB 1.749 33.623 31.823 0.086 0.000 0.991 237 V HN 0.548 nan 8.190 nan 0.000 0.434 238 L N 3.864 124.876 121.223 -0.352 0.000 2.313 238 L HA 0.660 4.999 4.340 -0.001 0.000 0.283 238 L C -0.632 176.049 176.870 -0.314 0.000 1.013 238 L CA 0.060 54.506 54.840 -0.657 0.000 0.816 238 L CB 1.541 42.832 42.059 -1.279 0.000 1.236 238 L HN 0.694 nan 8.230 nan 0.000 0.419 239 D N 5.254 125.508 120.400 -0.243 0.000 2.427 239 D HA 0.257 4.896 4.640 -0.001 0.000 0.226 239 D C -0.873 175.282 176.300 -0.241 0.000 1.076 239 D CA -0.133 53.764 54.000 -0.173 0.000 0.849 239 D CB 0.560 41.298 40.800 -0.103 0.000 1.052 239 D HN 0.514 nan 8.370 nan 0.000 0.515 240 L N 3.596 124.619 121.223 -0.333 0.000 2.325 240 L HA 0.430 4.769 4.340 -0.001 0.000 0.284 240 L C 1.283 177.857 176.870 -0.493 0.000 1.089 240 L CA -0.282 54.168 54.840 -0.651 0.000 0.836 240 L CB 1.017 42.400 42.059 -1.128 0.000 1.184 240 L HN 0.740 nan 8.230 nan 0.000 0.444 241 G N 2.785 111.440 108.800 -0.241 0.000 2.470 241 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.286 241 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.286 241 G C 0.721 175.612 174.900 -0.015 0.000 1.115 241 G CA -0.001 45.136 45.100 0.062 0.000 1.122 241 G HN 0.874 nan 8.290 nan 0.000 0.522 242 A N -0.028 122.775 122.820 -0.029 0.000 2.119 242 A HA 0.520 4.839 4.320 -0.001 0.000 0.217 242 A C 2.800 180.356 177.584 -0.048 0.000 1.153 242 A CA 2.004 54.018 52.037 -0.040 0.000 0.692 242 A CB -0.501 18.493 19.000 -0.011 0.000 0.799 242 A HN 2.796 nan 8.150 nan 0.000 0.458 243 G N -0.475 108.315 108.800 -0.017 0.000 2.594 243 G HA2 -0.395 3.565 3.960 -0.001 0.000 0.297 243 G HA3 -0.395 3.565 3.960 -0.001 0.000 0.297 243 G C 0.529 175.456 174.900 0.044 0.000 1.273 243 G CA 0.994 46.077 45.100 -0.028 0.000 0.974 243 G HN 1.415 nan 8.290 nan 0.000 0.552 244 Y N 0.171 120.561 120.300 0.150 0.000 2.502 244 Y HA 0.441 4.991 4.550 -0.001 0.000 0.295 244 Y C 1.795 177.841 175.900 0.243 0.000 1.193 244 Y CA 0.010 58.244 58.100 0.223 0.000 1.295 244 Y CB -0.466 38.172 38.460 0.297 0.000 1.059 244 Y HN 2.104 nan 8.280 nan 0.000 0.514 245 G N -0.331 108.494 108.800 0.040 0.000 2.151 245 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.156 245 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.156 245 G C 1.041 176.011 174.900 0.118 0.000 1.017 245 G CA -0.054 45.137 45.100 0.151 0.000 0.686 245 G HN 0.854 nan 8.290 nan 0.000 0.503 246 A N -0.475 122.195 122.820 -0.250 0.000 1.972 246 A HA 0.265 4.584 4.320 -0.001 0.000 0.219 246 A C 2.348 179.870 177.584 -0.104 0.000 1.169 246 A CA 1.876 53.734 52.037 -0.299 0.000 0.635 246 A CB -0.200 18.565 19.000 -0.391 0.000 0.810 246 A HN 0.830 nan 8.150 nan 0.000 0.446 247 L N -1.575 119.592 121.223 -0.094 0.000 2.253 247 L HA -0.029 4.310 4.340 -0.001 0.000 0.205 247 L C 2.627 179.475 176.870 -0.037 0.000 1.078 247 L CA 1.229 56.025 54.840 -0.074 0.000 0.805 247 L CB -0.868 41.140 42.059 -0.086 0.000 0.963 247 L HN 0.282 nan 8.230 nan 0.000 0.459 248 T N 0.765 115.317 114.554 -0.003 0.000 2.708 248 T HA -0.156 4.193 4.350 -0.001 0.000 0.266 248 T C 1.929 176.660 174.700 0.051 0.000 1.037 248 T CA 1.286 63.403 62.100 0.028 0.000 1.146 248 T CB -0.229 68.672 68.868 0.054 0.000 0.865 248 T HN 0.008 nan 8.240 nan 0.000 0.435 249 L N 1.162 122.434 121.223 0.083 0.000 1.994 249 L HA 0.035 4.375 4.340 -0.001 0.000 0.208 249 L C -0.585 176.293 176.870 0.013 0.000 1.071 249 L CA 1.894 56.776 54.840 0.070 0.000 0.745 249 L CB -1.540 40.564 42.059 0.074 0.000 0.892 249 L HN 0.169 nan 8.230 nan 0.000 0.431 250 P HA -0.161 nan 4.420 nan 0.000 0.215 250 P C 2.076 179.402 177.300 0.044 0.000 1.153 250 P CA 1.346 64.394 63.100 -0.088 0.000 0.853 250 P CB 0.037 31.625 31.700 -0.187 0.000 0.788 251 L N -1.176 120.053 121.223 0.009 0.000 2.083 251 L HA -0.168 4.171 4.340 -0.001 0.000 0.209 251 L C 2.487 179.388 176.870 0.051 0.000 1.083 251 L CA 1.525 56.377 54.840 0.020 0.000 0.752 251 L CB -1.166 40.892 42.059 -0.001 0.000 0.899 251 L HN -0.044 nan 8.230 nan 0.000 0.433 252 A N 0.232 123.091 122.820 0.064 0.000 1.877 252 A HA -0.267 4.052 4.320 -0.001 0.000 0.216 252 A C 2.358 179.994 177.584 0.086 0.000 1.186 252 A CA 1.948 54.030 52.037 0.075 0.000 0.620 252 A CB -0.515 18.533 19.000 0.081 0.000 0.822 252 A HN 0.302 nan 8.150 nan 0.000 0.443 253 R N -0.503 120.073 120.500 0.128 0.000 2.096 253 R HA 0.020 4.359 4.340 -0.001 0.000 0.235 253 R C 1.850 178.205 176.300 0.091 0.000 1.127 253 R CA 1.779 57.958 56.100 0.131 0.000 0.968 253 R CB -0.473 29.974 30.300 0.245 0.000 0.861 253 R HN 0.543 nan 8.270 nan 0.000 0.440 254 M N -0.909 118.744 119.600 0.088 0.000 2.686 254 M HA 0.154 4.633 4.480 -0.001 0.000 0.246 254 M C 0.836 177.165 176.300 0.049 0.000 1.096 254 M CA 1.068 56.405 55.300 0.061 0.000 1.076 254 M CB 0.576 33.206 32.600 0.050 0.000 1.504 254 M HN 0.491 nan 8.290 nan 0.000 0.524 255 G N 0.293 109.124 108.800 0.051 0.000 2.144 255 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.218 255 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.218 255 G C 0.140 175.069 174.900 0.049 0.000 0.988 255 G CA -0.099 45.028 45.100 0.045 0.000 0.659 255 G HN 0.686 nan 8.290 nan 0.000 0.522 256 A N -0.066 122.786 122.820 0.054 0.000 2.386 256 A HA 0.614 4.934 4.320 -0.001 0.000 0.248 256 A C 0.549 178.173 177.584 0.067 0.000 1.082 256 A CA 0.560 52.634 52.037 0.063 0.000 0.789 256 A CB 0.431 19.469 19.000 0.063 0.000 1.025 256 A HN 0.669 nan 8.150 nan 0.000 0.490 257 E N 1.679 121.927 120.200 0.079 0.000 1.963 257 E HA 0.443 4.792 4.350 -0.001 0.000 0.274 257 E C -1.275 175.396 176.600 0.117 0.000 1.061 257 E CA -0.321 56.130 56.400 0.086 0.000 0.847 257 E CB 0.397 30.144 29.700 0.079 0.000 1.083 257 E HN 0.373 nan 8.360 nan 0.000 0.402 258 V N 4.630 124.603 119.914 0.098 0.000 2.483 258 V HA 0.309 4.428 4.120 -0.001 0.000 0.295 258 V C -0.083 176.067 176.094 0.093 0.000 1.035 258 V CA -0.839 61.514 62.300 0.089 0.000 0.896 258 V CB 1.746 33.602 31.823 0.055 0.000 0.986 258 V HN 0.424 nan 8.190 nan 0.000 0.447 259 V N 3.419 123.381 119.914 0.081 0.000 2.409 259 V HA 0.690 4.809 4.120 -0.001 0.000 0.291 259 V C 0.640 176.712 176.094 -0.036 0.000 1.020 259 V CA -0.341 61.993 62.300 0.058 0.000 0.848 259 V CB 1.671 33.575 31.823 0.135 0.000 0.990 259 V HN 0.990 nan 8.190 nan 0.000 0.430 260 G N 3.549 112.345 108.800 -0.006 0.000 2.332 260 G HA2 0.614 4.573 3.960 -0.001 0.000 0.310 260 G HA3 0.614 4.573 3.960 -0.001 0.000 0.310 260 G C -0.553 174.336 174.900 -0.018 0.000 1.123 260 G CA -0.439 44.644 45.100 -0.028 0.000 0.873 260 G HN 0.908 nan 8.290 nan 0.000 0.460 261 V N 0.024 119.901 119.914 -0.061 0.000 2.513 261 V HA 0.897 5.017 4.120 -0.001 0.000 0.299 261 V C -0.755 175.347 176.094 0.014 0.000 1.035 261 V CA -1.175 61.112 62.300 -0.020 0.000 0.889 261 V CB 1.596 33.383 31.823 -0.059 0.000 0.988 261 V HN 0.756 nan 8.190 nan 0.000 0.440 262 E N 2.294 122.550 120.200 0.093 0.000 2.311 262 E HA 0.335 4.684 4.350 -0.001 0.000 0.281 262 E C -0.287 176.447 176.600 0.223 0.000 0.905 262 E CA -0.260 56.222 56.400 0.136 0.000 0.778 262 E CB 2.183 31.953 29.700 0.118 0.000 1.240 262 E HN 0.788 nan 8.360 nan 0.000 0.410 263 D N 2.404 122.927 120.400 0.204 0.000 2.277 263 D HA -0.059 4.580 4.640 -0.001 0.000 0.208 263 D C -0.284 176.203 176.300 0.311 0.000 0.962 263 D CA 0.615 54.744 54.000 0.214 0.000 0.865 263 D CB 0.347 41.241 40.800 0.157 0.000 0.939 263 D HN 0.409 nan 8.370 nan 0.000 0.510 264 D N -0.243 120.288 120.400 0.218 0.000 2.317 264 D HA 0.025 4.664 4.640 -0.001 0.000 0.234 264 D C 1.067 177.369 176.300 0.002 0.000 1.112 264 D CA -0.510 53.570 54.000 0.132 0.000 0.840 264 D CB 0.987 41.823 40.800 0.060 0.000 1.078 264 D HN -0.039 nan 8.370 nan 0.000 0.486 265 L N 4.965 126.082 121.223 -0.176 0.000 2.043 265 L HA -0.085 4.254 4.340 -0.001 0.000 0.212 265 L C 1.978 178.770 176.870 -0.130 0.000 1.075 265 L CA 2.431 57.007 54.840 -0.442 0.000 0.752 265 L CB -0.778 41.056 42.059 -0.376 0.000 0.891 265 L HN 0.597 nan 8.230 nan 0.000 0.432 266 A N -1.746 121.065 122.820 -0.015 0.000 1.933 266 A HA -0.179 4.140 4.320 -0.001 0.000 0.218 266 A C 2.389 180.044 177.584 0.117 0.000 1.175 266 A CA 1.947 54.036 52.037 0.086 0.000 0.628 266 A CB -0.866 18.249 19.000 0.191 0.000 0.814 266 A HN 0.533 nan 8.150 nan 0.000 0.444 267 S N -0.471 115.294 115.700 0.108 0.000 2.368 267 S HA -0.107 4.362 4.470 -0.001 0.000 0.224 267 S C 1.899 176.599 174.600 0.167 0.000 1.029 267 S CA 1.300 59.597 58.200 0.161 0.000 0.988 267 S CB -0.432 62.845 63.200 0.130 0.000 0.838 267 S HN 0.346 nan 8.310 nan 0.000 0.462 268 V N 2.341 122.311 119.914 0.094 0.000 2.287 268 V HA -0.182 3.937 4.120 -0.001 0.000 0.248 268 V C 2.181 178.364 176.094 0.149 0.000 1.053 268 V CA 1.613 63.970 62.300 0.094 0.000 1.027 268 V CB -0.749 31.075 31.823 0.001 0.000 0.646 268 V HN 0.424 nan 8.190 nan 0.000 0.447 269 L N -0.311 121.007 121.223 0.157 0.000 2.083 269 L HA -0.148 4.192 4.340 -0.001 0.000 0.209 269 L C 2.616 179.751 176.870 0.442 0.000 1.083 269 L CA 1.505 56.505 54.840 0.267 0.000 0.752 269 L CB -0.619 41.606 42.059 0.276 0.000 0.899 269 L HN 0.305 nan 8.230 nan 0.000 0.433 270 S N 0.208 116.168 115.700 0.434 0.000 2.356 270 S HA -0.194 4.276 4.470 -0.001 0.000 0.223 270 S C 1.856 176.742 174.600 0.476 0.000 1.032 270 S CA 1.395 59.940 58.200 0.575 0.000 1.005 270 S CB -0.403 63.104 63.200 0.511 0.000 0.867 270 S HN 0.268 nan 8.310 nan 0.000 0.449 271 L N 1.938 123.380 121.223 0.366 0.000 2.012 271 L HA -0.159 4.181 4.340 -0.001 0.000 0.210 271 L C 2.227 179.231 176.870 0.223 0.000 1.073 271 L CA 1.807 56.825 54.840 0.296 0.000 0.748 271 L CB -0.913 41.274 42.059 0.214 0.000 0.891 271 L HN 0.285 nan 8.230 nan 0.000 0.431 272 Q N -0.556 119.360 119.800 0.194 0.000 2.096 272 Q HA -0.288 4.051 4.340 -0.001 0.000 0.204 272 Q C 2.318 178.364 176.000 0.077 0.000 0.982 272 Q CA 2.174 58.053 55.803 0.127 0.000 0.850 272 Q CB -0.254 28.556 28.738 0.120 0.000 0.901 272 Q HN 0.527 nan 8.270 nan 0.000 0.422 273 K N 0.063 120.517 120.400 0.091 0.000 2.057 273 K HA -0.130 4.189 4.320 -0.001 0.000 0.207 273 K C 2.054 178.577 176.600 -0.129 0.000 1.049 273 K CA 1.367 57.589 56.287 -0.108 0.000 0.931 273 K CB -0.330 31.995 32.500 -0.291 0.000 0.714 273 K HN 0.264 nan 8.250 nan 0.000 0.440 274 G N 1.270 110.119 108.800 0.083 0.000 2.418 274 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.217 274 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.217 274 G C 1.471 176.397 174.900 0.043 0.000 1.158 274 G CA 0.818 45.991 45.100 0.122 0.000 0.771 274 G HN 0.217 nan 8.290 nan 0.000 0.545 275 L N 0.078 121.342 121.223 0.067 0.000 2.012 275 L HA -0.106 4.233 4.340 -0.001 0.000 0.210 275 L C 2.937 179.804 176.870 -0.005 0.000 1.073 275 L CA 1.542 56.410 54.840 0.046 0.000 0.748 275 L CB -0.440 41.656 42.059 0.063 0.000 0.891 275 L HN 0.291 nan 8.230 nan 0.000 0.431 276 E N 0.012 120.189 120.200 -0.040 0.000 2.051 276 E HA -0.227 4.122 4.350 -0.001 0.000 0.192 276 E C 2.272 178.807 176.600 -0.108 0.000 0.991 276 E CA 1.242 57.597 56.400 -0.075 0.000 0.799 276 E CB -0.252 29.384 29.700 -0.107 0.000 0.748 276 E HN 0.498 nan 8.360 nan 0.000 0.449 277 A N 1.216 123.933 122.820 -0.172 0.000 2.019 277 A HA -0.135 4.185 4.320 -0.001 0.000 0.219 277 A C 1.647 179.174 177.584 -0.096 0.000 1.164 277 A CA 1.136 53.061 52.037 -0.187 0.000 0.644 277 A CB -0.183 18.608 19.000 -0.349 0.000 0.805 277 A HN 0.156 nan 8.150 nan 0.000 0.449 278 N N -0.798 117.862 118.700 -0.068 0.000 2.230 278 N HA 0.274 5.014 4.740 -0.001 0.000 0.202 278 N C 0.471 175.954 175.510 -0.045 0.000 1.119 278 N CA 0.709 53.724 53.050 -0.058 0.000 0.851 278 N CB 0.405 38.872 38.487 -0.032 0.000 0.990 278 N HN 0.506 nan 8.380 nan 0.000 0.497 279 A N 0.971 123.766 122.820 -0.041 0.000 2.610 279 A HA -0.198 4.122 4.320 -0.001 0.000 0.299 279 A C -0.235 177.344 177.584 -0.007 0.000 1.487 279 A CA 0.734 52.754 52.037 -0.028 0.000 0.743 279 A CB -2.159 16.820 19.000 -0.035 0.000 1.070 279 A HN 0.320 nan 8.150 nan 0.000 0.439 280 L N -0.767 120.461 121.223 0.009 0.000 2.354 280 L HA 0.580 4.919 4.340 -0.001 0.000 0.269 280 L C 0.288 177.179 176.870 0.034 0.000 1.005 280 L CA -0.965 53.895 54.840 0.033 0.000 0.819 280 L CB 2.360 44.457 42.059 0.063 0.000 1.311 280 L HN 0.131 nan 8.230 nan 0.000 0.423 281 K N 1.306 121.730 120.400 0.039 0.000 2.274 281 K HA 0.922 5.241 4.320 -0.001 0.000 0.262 281 K C -0.696 175.936 176.600 0.052 0.000 0.961 281 K CA -0.580 55.731 56.287 0.041 0.000 0.833 281 K CB 1.807 34.327 32.500 0.033 0.000 1.102 281 K HN 0.779 nan 8.250 nan 0.000 0.436 282 A N 1.769 124.623 122.820 0.057 0.000 2.610 282 A HA 0.544 4.863 4.320 -0.001 0.000 0.291 282 A C -1.461 176.162 177.584 0.065 0.000 1.086 282 A CA -0.918 51.158 52.037 0.064 0.000 0.677 282 A CB 1.293 20.333 19.000 0.068 0.000 1.278 282 A HN 0.663 nan 8.150 nan 0.000 0.414 283 Q N 0.481 120.323 119.800 0.070 0.000 2.294 283 Q HA 0.532 4.871 4.340 -0.001 0.000 0.257 283 Q C -0.167 175.876 176.000 0.072 0.000 0.955 283 Q CA -0.189 55.657 55.803 0.071 0.000 0.936 283 Q CB 1.625 30.410 28.738 0.079 0.000 1.188 283 Q HN 0.863 nan 8.270 nan 0.000 0.420 284 A N 5.154 128.021 122.820 0.077 0.000 2.412 284 A HA 0.448 4.767 4.320 -0.001 0.000 0.334 284 A C -0.544 177.097 177.584 0.095 0.000 1.419 284 A CA -0.552 51.536 52.037 0.086 0.000 0.930 284 A CB 0.145 19.204 19.000 0.099 0.000 1.149 284 A HN 0.710 nan 8.150 nan 0.000 0.515 285 L N 2.569 123.848 121.223 0.094 0.000 2.295 285 L HA 0.334 4.673 4.340 -0.001 0.000 0.285 285 L C 0.458 177.428 176.870 0.166 0.000 1.035 285 L CA -0.537 54.370 54.840 0.113 0.000 0.806 285 L CB 1.397 43.506 42.059 0.083 0.000 1.214 285 L HN 0.756 nan 8.230 nan 0.000 0.426 286 H N 2.802 121.906 119.070 0.056 0.000 2.782 286 H HA 0.316 4.871 4.556 -0.001 0.000 0.285 286 H C -0.838 174.523 175.328 0.056 0.000 1.093 286 H CA -0.089 55.994 56.048 0.059 0.000 1.410 286 H CB 0.963 30.758 29.762 0.056 0.000 1.439 286 H HN 0.559 nan 8.280 nan 0.000 0.469 287 S N 4.175 119.904 115.700 0.047 0.000 2.543 287 S HA 0.027 4.496 4.470 -0.001 0.000 0.273 287 S C -1.530 173.105 174.600 0.057 0.000 1.152 287 S CA -1.004 57.201 58.200 0.009 0.000 0.910 287 S CB 1.572 64.802 63.200 0.049 0.000 1.105 287 S HN 0.814 nan 8.310 nan 0.000 0.465 288 D N 4.112 124.561 120.400 0.081 0.000 2.393 288 D HA 0.464 5.104 4.640 -0.001 0.000 0.232 288 D C 1.335 177.817 176.300 0.305 0.000 1.192 288 D CA 0.463 54.582 54.000 0.198 0.000 0.882 288 D CB -0.195 40.732 40.800 0.212 0.000 1.038 288 D HN 0.500 nan 8.370 nan 0.000 0.499 289 V N 3.350 123.418 119.914 0.257 0.000 0.690 289 V HA -0.424 3.696 4.120 -0.001 0.000 0.092 289 V C 1.348 177.511 176.094 0.114 0.000 0.791 289 V CA 2.076 64.488 62.300 0.186 0.000 3.101 289 V CB -1.148 30.760 31.823 0.141 0.000 0.196 289 V HN 0.819 nan 8.190 nan 0.000 0.102 290 D N 0.359 120.853 120.400 0.158 0.000 2.395 290 D HA 0.059 4.699 4.640 -0.001 0.000 0.226 290 D C 1.481 177.804 176.300 0.039 0.000 1.146 290 D CA 0.623 54.667 54.000 0.074 0.000 0.830 290 D CB 0.207 41.041 40.800 0.058 0.000 0.958 290 D HN 0.832 nan 8.370 nan 0.000 0.501 291 E N 1.352 121.586 120.200 0.058 0.000 2.160 291 E HA -0.208 4.141 4.350 -0.001 0.000 0.195 291 E C 1.498 178.072 176.600 -0.044 0.000 0.991 291 E CA 1.161 57.519 56.400 -0.070 0.000 0.810 291 E CB 0.007 29.711 29.700 0.008 0.000 0.742 291 E HN 0.309 nan 8.360 nan 0.000 0.466 292 A N 0.991 123.810 122.820 -0.000 0.000 2.167 292 A HA 0.128 4.447 4.320 -0.001 0.000 0.214 292 A C 1.411 179.007 177.584 0.020 0.000 1.151 292 A CA -0.012 52.030 52.037 0.008 0.000 0.735 292 A CB -0.161 18.856 19.000 0.027 0.000 0.802 292 A HN 0.179 nan 8.150 nan 0.000 0.467 293 L N 1.006 122.246 121.223 0.029 0.000 2.418 293 L HA 0.237 4.577 4.340 -0.001 0.000 0.265 293 L C 1.119 178.002 176.870 0.022 0.000 1.143 293 L CA -0.472 54.401 54.840 0.055 0.000 0.809 293 L CB 0.670 42.793 42.059 0.107 0.000 1.124 293 L HN 0.352 nan 8.230 nan 0.000 0.456 294 T N -2.671 111.896 114.554 0.021 0.000 2.855 294 T HA -0.026 4.323 4.350 -0.001 0.000 0.314 294 T C 0.940 175.637 174.700 -0.005 0.000 1.077 294 T CA -0.426 61.672 62.100 -0.002 0.000 1.095 294 T CB 0.998 69.860 68.868 -0.010 0.000 0.987 294 T HN 0.767 nan 8.240 nan 0.000 0.546 295 E N 0.723 120.913 120.200 -0.017 0.000 2.160 295 E HA -0.208 4.141 4.350 -0.001 0.000 0.195 295 E C 1.926 178.517 176.600 -0.015 0.000 0.991 295 E CA 1.445 57.834 56.400 -0.018 0.000 0.810 295 E CB 0.044 29.730 29.700 -0.023 0.000 0.742 295 E HN 0.837 nan 8.360 nan 0.000 0.466 296 E N 0.146 120.331 120.200 -0.025 0.000 2.447 296 E HA 0.076 4.426 4.350 -0.001 0.000 0.195 296 E C 0.271 176.832 176.600 -0.065 0.000 1.028 296 E CA 0.321 56.698 56.400 -0.038 0.000 0.876 296 E CB -0.059 29.617 29.700 -0.041 0.000 0.885 296 E HN 0.161 nan 8.360 nan 0.000 0.500 297 A N 2.410 125.192 122.820 -0.064 0.000 2.548 297 A HA 0.198 4.517 4.320 -0.001 0.000 0.247 297 A C 0.129 177.595 177.584 -0.196 0.000 1.067 297 A CA 0.048 51.991 52.037 -0.158 0.000 0.757 297 A CB 0.136 19.096 19.000 -0.067 0.000 0.996 297 A HN 0.058 nan 8.150 nan 0.000 0.504 298 R N 0.819 121.069 120.500 -0.417 0.000 2.867 298 R HA 0.760 5.100 4.340 -0.001 0.000 0.268 298 R C -1.534 174.347 176.300 -0.698 0.000 1.014 298 R CA -0.503 55.409 56.100 -0.314 0.000 0.946 298 R CB 1.283 31.508 30.300 -0.125 0.000 1.208 298 R HN 0.620 nan 8.270 nan 0.000 0.477 299 F N -0.788 119.168 119.950 0.010 0.000 2.613 299 F HA 0.311 4.837 4.527 -0.001 0.000 0.314 299 F C 1.073 176.897 175.800 0.040 0.000 1.075 299 F CA -0.747 57.268 58.000 0.025 0.000 0.945 299 F CB 1.772 40.787 39.000 0.025 0.000 1.310 299 F HN 0.360 nan 8.300 nan 0.000 0.467 300 D N 0.920 121.458 120.400 0.230 0.000 2.216 300 D HA 0.172 4.812 4.640 -0.001 0.000 0.208 300 D C 0.268 176.688 176.300 0.200 0.000 0.960 300 D CA 1.499 55.601 54.000 0.171 0.000 0.861 300 D CB 0.821 41.702 40.800 0.135 0.000 0.985 300 D HN 0.202 nan 8.370 nan 0.000 0.493 301 I N 0.988 121.698 120.570 0.234 0.000 2.582 301 I HA 0.331 4.500 4.170 -0.001 0.000 0.292 301 I C -0.753 175.488 176.117 0.207 0.000 1.066 301 I CA -0.618 60.827 61.300 0.241 0.000 1.053 301 I CB 2.928 41.069 38.000 0.236 0.000 1.241 301 I HN -0.319 nan 8.210 nan 0.000 0.421 302 I N 6.278 126.993 120.570 0.243 0.000 2.465 302 I HA 0.542 4.711 4.170 -0.001 0.000 0.291 302 I C -0.607 175.707 176.117 0.327 0.000 1.014 302 I CA -1.009 60.405 61.300 0.190 0.000 1.093 302 I CB 2.194 40.260 38.000 0.108 0.000 1.267 302 I HN 0.286 nan 8.210 nan 0.000 0.431 303 V N 1.711 121.719 119.914 0.157 0.000 2.823 303 V HA 0.880 4.999 4.120 -0.001 0.000 0.312 303 V C -0.607 175.506 176.094 0.032 0.000 1.072 303 V CA -0.315 62.044 62.300 0.098 0.000 0.937 303 V CB 1.929 33.754 31.823 0.004 0.000 1.013 303 V HN 0.821 nan 8.190 nan 0.000 0.430 304 T N 2.283 116.830 114.554 -0.012 0.000 3.097 304 T HA 0.377 4.726 4.350 -0.001 0.000 0.332 304 T C -1.617 173.054 174.700 -0.048 0.000 1.269 304 T CA -0.399 61.697 62.100 -0.007 0.000 1.076 304 T CB 1.456 70.395 68.868 0.117 0.000 1.209 304 T HN 1.100 nan 8.240 nan 0.000 0.474 305 N N 5.163 123.836 118.700 -0.046 0.000 2.699 305 N HA 0.457 5.196 4.740 -0.001 0.000 0.232 305 N C -2.593 172.906 175.510 -0.018 0.000 1.027 305 N CA -1.698 51.304 53.050 -0.079 0.000 0.920 305 N CB 0.973 39.378 38.487 -0.136 0.000 1.148 305 N HN 0.359 nan 8.380 nan 0.000 0.509 306 P HA 0.307 nan 4.420 nan 0.000 0.274 306 P C -2.560 174.748 177.300 0.013 0.000 1.246 306 P CA -1.022 62.142 63.100 0.106 0.000 0.795 306 P CB -0.089 31.681 31.700 0.115 0.000 1.006 307 P HA 0.176 nan 4.420 nan 0.000 0.272 307 P C -1.006 176.320 177.300 0.044 0.000 1.230 307 P CA 0.279 63.273 63.100 -0.176 0.000 0.788 307 P CB 0.184 31.745 31.700 -0.231 0.000 0.949 308 F N -2.701 117.225 119.950 -0.040 0.000 2.631 308 F HA 0.429 4.955 4.527 -0.001 0.000 0.308 308 F C -0.547 175.304 175.800 0.085 0.000 1.097 308 F CA -1.246 56.780 58.000 0.043 0.000 0.952 308 F CB 1.087 40.132 39.000 0.076 0.000 1.307 308 F HN 0.290 nan 8.300 nan 0.000 0.450 309 H N 2.411 121.585 119.070 0.174 0.000 2.723 309 H HA 0.389 4.945 4.556 -0.001 0.000 0.294 309 H C -0.667 174.790 175.328 0.214 0.000 1.079 309 H CA -0.251 55.857 56.048 0.099 0.000 1.411 309 H CB 1.591 31.397 29.762 0.074 0.000 1.439 309 H HN 0.648 nan 8.280 nan 0.000 0.474 310 V N 5.231 125.123 119.914 -0.037 0.000 2.509 310 V HA -0.016 4.103 4.120 -0.001 0.000 0.297 310 V C 1.532 177.703 176.094 0.127 0.000 1.014 310 V CA 1.281 63.656 62.300 0.126 0.000 1.127 310 V CB 0.489 32.331 31.823 0.030 0.000 0.925 310 V HN 1.154 nan 8.190 nan 0.000 0.480 311 G N 3.760 112.675 108.800 0.191 0.000 2.175 311 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.265 311 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.265 311 G C 0.562 175.579 174.900 0.195 0.000 0.979 311 G CA 0.072 45.266 45.100 0.157 0.000 0.663 311 G HN 1.364 nan 8.290 nan 0.000 0.533 312 G N -1.347 107.617 108.800 0.273 0.000 2.507 312 G HA2 0.675 4.634 3.960 -0.001 0.000 0.271 312 G HA3 0.675 4.634 3.960 -0.001 0.000 0.271 312 G C 0.815 175.812 174.900 0.161 0.000 1.189 312 G CA 0.320 45.575 45.100 0.259 0.000 0.859 312 G HN 1.333 nan 8.290 nan 0.000 0.542 313 A N 0.515 123.394 122.820 0.098 0.000 2.431 313 A HA 0.552 4.872 4.320 -0.001 0.000 0.239 313 A C 0.299 177.885 177.584 0.003 0.000 1.230 313 A CA 0.128 52.211 52.037 0.076 0.000 0.928 313 A CB 0.472 19.526 19.000 0.089 0.000 1.006 313 A HN 0.525 nan 8.150 nan 0.000 0.520 314 V N 1.301 121.207 119.914 -0.014 0.000 2.555 314 V HA 0.360 4.479 4.120 -0.001 0.000 0.302 314 V C -0.249 175.799 176.094 -0.077 0.000 1.038 314 V CA -0.660 61.598 62.300 -0.069 0.000 0.887 314 V CB 1.727 33.504 31.823 -0.077 0.000 0.991 314 V HN 0.366 nan 8.190 nan 0.000 0.434 315 I N 4.772 125.251 120.570 -0.150 0.000 2.556 315 I HA 0.151 4.320 4.170 -0.001 0.000 0.284 315 I C 0.206 176.258 176.117 -0.108 0.000 1.114 315 I CA 0.050 61.243 61.300 -0.178 0.000 1.418 315 I CB 0.552 38.316 38.000 -0.392 0.000 1.394 315 I HN 0.390 nan 8.210 nan 0.000 0.552 316 L N 5.935 127.121 121.223 -0.061 0.000 2.461 316 L HA 0.032 4.371 4.340 -0.001 0.000 0.272 316 L C 1.271 178.095 176.870 -0.076 0.000 1.197 316 L CA -0.209 54.598 54.840 -0.055 0.000 0.836 316 L CB 0.352 42.386 42.059 -0.041 0.000 1.105 316 L HN 0.616 nan 8.230 nan 0.000 0.477 317 D N 1.325 121.701 120.400 -0.041 0.000 2.133 317 D HA -0.173 4.466 4.640 -0.001 0.000 0.192 317 D C 2.037 178.292 176.300 -0.074 0.000 1.001 317 D CA 1.130 55.129 54.000 -0.003 0.000 0.844 317 D CB 0.029 40.881 40.800 0.087 0.000 0.944 317 D HN 0.352 nan 8.370 nan 0.000 0.447 318 V N 1.216 121.057 119.914 -0.122 0.000 2.332 318 V HA -0.259 3.861 4.120 -0.001 0.000 0.248 318 V C 2.505 178.228 176.094 -0.618 0.000 1.055 318 V CA 1.894 63.969 62.300 -0.375 0.000 1.038 318 V CB -0.807 30.818 31.823 -0.331 0.000 0.651 318 V HN 0.220 nan 8.190 nan 0.000 0.450 319 A N -0.890 121.655 122.820 -0.459 0.000 1.902 319 A HA -0.274 4.045 4.320 -0.001 0.000 0.217 319 A C 2.171 179.727 177.584 -0.048 0.000 1.181 319 A CA 1.860 53.701 52.037 -0.327 0.000 0.623 319 A CB -0.455 18.515 19.000 -0.050 0.000 0.818 319 A HN 0.638 nan 8.150 nan 0.000 0.443 320 Q N -0.622 119.137 119.800 -0.068 0.000 2.084 320 Q HA -0.099 4.240 4.340 -0.001 0.000 0.202 320 Q C 2.405 178.386 176.000 -0.032 0.000 0.978 320 Q CA 1.341 57.135 55.803 -0.015 0.000 0.844 320 Q CB -0.397 28.311 28.738 -0.050 0.000 0.898 320 Q HN 0.683 nan 8.270 nan 0.000 0.426 321 A N 0.614 123.337 122.820 -0.162 0.000 1.933 321 A HA -0.175 4.145 4.320 -0.001 0.000 0.218 321 A C 1.727 179.300 177.584 -0.019 0.000 1.175 321 A CA 1.033 52.924 52.037 -0.243 0.000 0.628 321 A CB -0.629 17.874 19.000 -0.830 0.000 0.814 321 A HN 0.260 nan 8.150 nan 0.000 0.444 322 F N 0.179 120.025 119.950 -0.175 0.000 2.091 322 F HA -0.176 4.350 4.527 -0.001 0.000 0.299 322 F C 2.576 178.329 175.800 -0.078 0.000 1.103 322 F CA 1.094 59.041 58.000 -0.089 0.000 1.228 322 F CB -1.182 37.824 39.000 0.010 0.000 0.984 322 F HN 0.051 nan 8.300 nan 0.000 0.477 323 V N 0.503 120.547 119.914 0.217 0.000 2.295 323 V HA -0.306 3.814 4.120 -0.001 0.000 0.246 323 V C 2.174 178.221 176.094 -0.079 0.000 1.049 323 V CA 2.008 64.374 62.300 0.111 0.000 1.024 323 V CB -0.742 31.247 31.823 0.276 0.000 0.648 323 V HN 0.285 nan 8.190 nan 0.000 0.447 324 N N 0.247 118.913 118.700 -0.056 0.000 2.120 324 N HA -0.120 4.619 4.740 -0.001 0.000 0.188 324 N C 1.755 177.178 175.510 -0.145 0.000 1.024 324 N CA 1.312 54.294 53.050 -0.114 0.000 0.852 324 N CB -0.681 37.765 38.487 -0.069 0.000 1.003 324 N HN 0.361 nan 8.380 nan 0.000 0.424 325 V N 1.565 121.413 119.914 -0.110 0.000 2.358 325 V HA -0.161 3.959 4.120 -0.001 0.000 0.246 325 V C 2.412 178.402 176.094 -0.173 0.000 1.047 325 V CA 1.644 63.884 62.300 -0.100 0.000 1.035 325 V CB -0.969 30.817 31.823 -0.062 0.000 0.658 325 V HN 0.299 nan 8.190 nan 0.000 0.452 326 A N 0.165 122.811 122.820 -0.291 0.000 1.883 326 A HA -0.196 4.123 4.320 -0.001 0.000 0.217 326 A C 2.438 179.842 177.584 -0.300 0.000 1.186 326 A CA 2.336 54.115 52.037 -0.430 0.000 0.624 326 A CB -0.885 17.426 19.000 -1.149 0.000 0.822 326 A HN 0.583 nan 8.150 nan 0.000 0.444 327 A N -0.433 122.132 122.820 -0.425 0.000 1.933 327 A HA 0.177 4.496 4.320 -0.001 0.000 0.218 327 A C 2.441 179.835 177.584 -0.317 0.000 1.175 327 A CA 2.070 53.722 52.037 -0.642 0.000 0.628 327 A CB -0.878 17.498 19.000 -1.040 0.000 0.814 327 A HN 1.108 nan 8.150 nan 0.000 0.444 328 A N -1.211 121.480 122.820 -0.216 0.000 2.016 328 A HA -0.008 4.311 4.320 -0.001 0.000 0.217 328 A C 2.100 179.656 177.584 -0.047 0.000 1.162 328 A CA 0.902 52.870 52.037 -0.116 0.000 0.662 328 A CB -0.207 18.745 19.000 -0.081 0.000 0.812 328 A HN 0.356 nan 8.150 nan 0.000 0.450 329 R N -0.892 119.597 120.500 -0.019 0.000 2.290 329 R HA 0.297 4.637 4.340 -0.001 0.000 0.197 329 R C -0.162 176.229 176.300 0.151 0.000 0.913 329 R CA -0.055 56.104 56.100 0.098 0.000 1.040 329 R CB -0.295 30.099 30.300 0.157 0.000 0.992 329 R HN 0.407 nan 8.270 nan 0.000 0.500 330 L N 2.168 123.440 121.223 0.080 0.000 2.349 330 L HA 0.205 4.545 4.340 -0.001 0.000 0.275 330 L C 0.772 177.681 176.870 0.065 0.000 1.115 330 L CA -0.199 54.706 54.840 0.109 0.000 0.820 330 L CB 0.764 42.897 42.059 0.123 0.000 1.135 330 L HN -0.138 nan 8.230 nan 0.000 0.445 331 R N 3.086 123.624 120.500 0.065 0.000 2.738 331 R HA 0.160 4.500 4.340 -0.001 0.000 0.268 331 R C -2.231 174.095 176.300 0.044 0.000 1.062 331 R CA -1.597 54.524 56.100 0.035 0.000 1.158 331 R CB -0.258 30.058 30.300 0.027 0.000 1.046 331 R HN 0.329 nan 8.270 nan 0.000 0.493 332 P HA -0.083 nan 4.420 nan 0.000 0.262 332 P C 0.490 177.818 177.300 0.048 0.000 1.182 332 P CA 1.214 64.335 63.100 0.035 0.000 0.761 332 P CB 0.434 32.148 31.700 0.023 0.000 0.795 333 G N 2.040 110.874 108.800 0.057 0.000 2.179 333 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.260 333 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.260 333 G C 0.678 175.625 174.900 0.078 0.000 0.977 333 G CA -0.102 45.037 45.100 0.066 0.000 0.641 333 G HN 0.891 nan 8.290 nan 0.000 0.533 334 G N -0.769 108.080 108.800 0.082 0.000 2.636 334 G HA2 0.641 4.600 3.960 -0.001 0.000 0.246 334 G HA3 0.641 4.600 3.960 -0.001 0.000 0.246 334 G C 0.263 175.200 174.900 0.062 0.000 1.216 334 G CA 0.639 45.799 45.100 0.099 0.000 0.854 334 G HN 1.668 nan 8.290 nan 0.000 0.572 335 V N -1.553 118.400 119.914 0.065 0.000 2.914 335 V HA 0.843 4.963 4.120 -0.001 0.000 0.314 335 V C -1.230 174.832 176.094 -0.053 0.000 1.084 335 V CA -1.360 60.866 62.300 -0.124 0.000 0.963 335 V CB 1.925 33.724 31.823 -0.039 0.000 1.025 335 V HN 0.642 nan 8.190 nan 0.000 0.432 336 F N 3.662 123.245 119.950 -0.613 0.000 2.507 336 F HA 0.866 5.392 4.527 -0.001 0.000 0.325 336 F C -1.475 173.982 175.800 -0.571 0.000 1.116 336 F CA -2.267 55.475 58.000 -0.431 0.000 0.930 336 F CB 1.768 40.455 39.000 -0.522 0.000 1.146 336 F HN 0.518 nan 8.300 nan 0.000 0.447 337 F N 6.899 126.564 119.950 -0.474 0.000 2.507 337 F HA 0.651 5.178 4.527 -0.001 0.000 0.325 337 F C -0.918 174.406 175.800 -0.792 0.000 1.116 337 F CA -0.858 56.856 58.000 -0.476 0.000 0.930 337 F CB 1.958 40.867 39.000 -0.153 0.000 1.146 337 F HN 0.452 nan 8.300 nan 0.000 0.447 338 L N 4.283 125.145 121.223 -0.602 0.000 2.408 338 L HA 0.847 5.186 4.340 -0.001 0.000 0.268 338 L C -1.813 174.865 176.870 -0.319 0.000 0.986 338 L CA -0.810 53.694 54.840 -0.561 0.000 0.820 338 L CB 2.010 43.592 42.059 -0.794 0.000 1.303 338 L HN 0.483 nan 8.230 nan 0.000 0.411 339 V N 4.316 124.084 119.914 -0.243 0.000 2.555 339 V HA 0.897 5.016 4.120 -0.001 0.000 0.302 339 V C -0.475 175.519 176.094 -0.167 0.000 1.038 339 V CA 0.504 62.708 62.300 -0.159 0.000 0.887 339 V CB 2.078 33.831 31.823 -0.117 0.000 0.991 339 V HN 1.014 nan 8.190 nan 0.000 0.434 340 S N 4.961 120.613 115.700 -0.081 0.000 2.656 340 S HA 0.558 5.027 4.470 -0.001 0.000 0.273 340 S C -0.993 173.662 174.600 0.093 0.000 1.168 340 S CA -1.022 57.165 58.200 -0.023 0.000 0.817 340 S CB 1.543 64.755 63.200 0.020 0.000 1.146 340 S HN 0.683 nan 8.310 nan 0.000 0.475 341 N N 1.884 120.599 118.700 0.025 0.000 2.407 341 N HA 0.207 4.946 4.740 -0.001 0.000 0.250 341 N C -1.920 173.631 175.510 0.067 0.000 1.236 341 N CA -1.243 51.818 53.050 0.019 0.000 0.879 341 N CB 0.150 38.577 38.487 -0.100 0.000 1.088 341 N HN 0.446 nan 8.380 nan 0.000 0.450 342 P HA -0.072 nan 4.420 nan 0.000 0.221 342 P C 0.562 177.980 177.300 0.197 0.000 1.145 342 P CA 1.023 64.182 63.100 0.098 0.000 0.795 342 P CB 0.099 31.831 31.700 0.053 0.000 0.775 343 F N -1.141 118.806 119.950 -0.004 0.000 2.661 343 F HA 0.284 4.810 4.527 -0.001 0.000 0.306 343 F C 0.507 176.305 175.800 -0.004 0.000 1.094 343 F CA -0.610 57.389 58.000 -0.002 0.000 1.254 343 F CB -0.062 38.931 39.000 -0.011 0.000 1.040 343 F HN -0.297 nan 8.300 nan 0.000 0.562 344 L N 1.544 122.770 121.223 0.005 0.000 2.380 344 L HA 0.166 4.505 4.340 -0.001 0.000 0.273 344 L C 0.671 177.424 176.870 -0.195 0.000 1.138 344 L CA -0.146 54.632 54.840 -0.103 0.000 0.832 344 L CB 0.728 42.787 42.059 0.001 0.000 1.124 344 L HN -0.044 nan 8.230 nan 0.000 0.454 345 K N 3.692 123.892 120.400 -0.332 0.000 3.006 345 K HA 0.051 4.370 4.320 -0.001 0.000 0.265 345 K C 0.080 176.508 176.600 -0.287 0.000 1.279 345 K CA 0.014 56.118 56.287 -0.304 0.000 1.229 345 K CB -0.054 32.268 32.500 -0.297 0.000 1.555 345 K HN 0.458 nan 8.250 nan 0.000 0.300 346 Y N 0.691 120.890 120.300 -0.168 0.000 2.457 346 Y HA -0.139 4.410 4.550 -0.001 0.000 0.292 346 Y C 1.715 177.449 175.900 -0.276 0.000 1.125 346 Y CA 0.855 58.857 58.100 -0.165 0.000 1.254 346 Y CB 0.197 38.575 38.460 -0.136 0.000 1.012 346 Y HN 0.336 nan 8.280 nan 0.000 0.555 347 E N 0.343 120.386 120.200 -0.262 0.000 2.038 347 E HA -0.204 4.145 4.350 -0.001 0.000 0.195 347 E C -0.447 175.945 176.600 -0.347 0.000 1.000 347 E CA 1.876 57.884 56.400 -0.653 0.000 0.803 347 E CB -1.615 27.776 29.700 -0.515 0.000 0.750 347 E HN 0.337 nan 8.360 nan 0.000 0.448 348 P HA -0.151 nan 4.420 nan 0.000 0.218 348 P C 1.236 178.529 177.300 -0.012 0.000 1.148 348 P CA 1.222 64.298 63.100 -0.040 0.000 0.822 348 P CB 0.009 31.681 31.700 -0.046 0.000 0.784 349 L N -1.660 119.550 121.223 -0.022 0.000 2.056 349 L HA -0.145 4.194 4.340 -0.001 0.000 0.207 349 L C 2.539 179.479 176.870 0.116 0.000 1.078 349 L CA 0.966 55.830 54.840 0.040 0.000 0.749 349 L CB -1.121 40.977 42.059 0.065 0.000 0.901 349 L HN -0.061 nan 8.230 nan 0.000 0.433 350 L N 0.024 121.314 121.223 0.112 0.000 2.056 350 L HA -0.181 4.158 4.340 -0.001 0.000 0.207 350 L C 2.545 179.598 176.870 0.305 0.000 1.078 350 L CA 1.560 56.550 54.840 0.250 0.000 0.749 350 L CB -0.754 41.330 42.059 0.042 0.000 0.901 350 L HN 0.196 nan 8.230 nan 0.000 0.433 351 E N -0.274 120.058 120.200 0.221 0.000 2.085 351 E HA -0.262 4.087 4.350 -0.001 0.000 0.194 351 E C 2.196 178.894 176.600 0.164 0.000 0.994 351 E CA 1.538 58.092 56.400 0.256 0.000 0.801 351 E CB -0.059 29.783 29.700 0.237 0.000 0.743 351 E HN 0.516 nan 8.360 nan 0.000 0.453 352 E N -0.424 119.841 120.200 0.108 0.000 2.047 352 E HA -0.199 4.150 4.350 -0.001 0.000 0.191 352 E C 1.464 178.074 176.600 0.016 0.000 0.987 352 E CA 1.065 57.496 56.400 0.051 0.000 0.799 352 E CB 0.112 29.827 29.700 0.024 0.000 0.752 352 E HN 0.006 nan 8.360 nan 0.000 0.449 353 K N -0.624 119.781 120.400 0.008 0.000 2.262 353 K HA 0.005 4.324 4.320 -0.001 0.000 0.200 353 K C 1.546 177.926 176.600 -0.368 0.000 1.049 353 K CA 0.698 56.871 56.287 -0.190 0.000 0.979 353 K CB 0.072 32.409 32.500 -0.273 0.000 0.773 353 K HN 0.217 nan 8.250 nan 0.000 0.474 354 F N -0.952 119.008 119.950 0.017 0.000 2.680 354 F HA 0.215 4.741 4.527 -0.001 0.000 0.290 354 F C 1.543 177.360 175.800 0.029 0.000 1.114 354 F CA 0.545 58.553 58.000 0.014 0.000 1.333 354 F CB 0.745 39.760 39.000 0.023 0.000 1.091 354 F HN 0.183 nan 8.300 nan 0.000 0.606 355 G N 0.541 109.472 108.800 0.219 0.000 2.254 355 G HA2 0.075 4.034 3.960 -0.001 0.000 0.225 355 G HA3 0.075 4.034 3.960 -0.001 0.000 0.225 355 G C 0.142 175.136 174.900 0.157 0.000 1.003 355 G CA -0.097 45.091 45.100 0.147 0.000 0.622 355 G HN 0.866 nan 8.290 nan 0.000 0.507 356 A N -1.012 121.932 122.820 0.206 0.000 2.601 356 A HA 1.003 5.322 4.320 -0.001 0.000 0.291 356 A C -0.911 176.803 177.584 0.218 0.000 1.075 356 A CA 0.104 52.230 52.037 0.147 0.000 0.671 356 A CB 0.937 19.966 19.000 0.049 0.000 1.277 356 A HN 1.955 nan 8.150 nan 0.000 0.417 357 F N -1.432 118.536 119.950 0.030 0.000 2.713 357 F HA 0.819 5.345 4.527 -0.001 0.000 0.311 357 F C -0.996 174.831 175.800 0.045 0.000 1.141 357 F CA -0.736 57.261 58.000 -0.004 0.000 0.939 357 F CB 1.122 40.114 39.000 -0.013 0.000 1.325 357 F HN 0.628 nan 8.300 nan 0.000 0.453 358 Q N 0.267 120.162 119.800 0.159 0.000 2.413 358 Q HA 0.591 4.930 4.340 -0.001 0.000 0.276 358 Q C -1.514 174.630 176.000 0.239 0.000 1.099 358 Q CA -1.309 54.533 55.803 0.065 0.000 0.814 358 Q CB 2.741 31.529 28.738 0.084 0.000 1.379 358 Q HN 0.735 nan 8.270 nan 0.000 0.436 359 T N 2.218 116.859 114.554 0.144 0.000 2.801 359 T HA 0.306 4.655 4.350 -0.001 0.000 0.306 359 T C 0.930 175.675 174.700 0.074 0.000 1.020 359 T CA -0.232 61.961 62.100 0.156 0.000 0.948 359 T CB 0.271 69.242 68.868 0.172 0.000 0.962 359 T HN 0.408 nan 8.240 nan 0.000 0.465 360 L N 1.386 122.651 121.223 0.070 0.000 2.209 360 L HA 0.252 4.591 4.340 -0.001 0.000 0.207 360 L C 0.971 177.865 176.870 0.040 0.000 1.094 360 L CA 0.724 55.584 54.840 0.033 0.000 0.790 360 L CB -0.041 42.047 42.059 0.048 0.000 0.932 360 L HN 0.297 nan 8.230 nan 0.000 0.447 361 K N 0.133 120.568 120.400 0.058 0.000 2.523 361 K HA 0.551 4.870 4.320 -0.001 0.000 0.257 361 K C -1.502 175.135 176.600 0.063 0.000 0.932 361 K CA -0.350 55.970 56.287 0.055 0.000 0.812 361 K CB 3.396 35.934 32.500 0.062 0.000 1.326 361 K HN -0.327 nan 8.250 nan 0.000 0.433 362 V N 1.420 121.365 119.914 0.053 0.000 2.614 362 V HA 0.647 4.766 4.120 -0.001 0.000 0.281 362 V C -0.959 175.152 176.094 0.029 0.000 1.031 362 V CA 0.071 62.401 62.300 0.051 0.000 0.899 362 V CB 1.048 32.906 31.823 0.058 0.000 1.037 362 V HN 1.021 nan 8.190 nan 0.000 0.456 363 A N 4.374 127.204 122.820 0.018 0.000 2.043 363 A HA 0.443 4.762 4.320 -0.001 0.000 0.183 363 A C 1.254 178.783 177.584 -0.091 0.000 1.568 363 A CA 0.674 52.700 52.037 -0.018 0.000 1.796 363 A CB -0.109 18.890 19.000 -0.001 0.000 1.908 363 A HN 0.631 nan 8.150 nan 0.000 0.851 364 E N -1.432 118.683 120.200 -0.142 0.000 2.110 364 E HA -0.093 4.256 4.350 -0.001 0.000 0.193 364 E C -0.536 175.601 176.600 -0.772 0.000 0.988 364 E CA 1.181 57.325 56.400 -0.427 0.000 0.804 364 E CB -0.061 29.400 29.700 -0.398 0.000 0.745 364 E HN 0.530 nan 8.360 nan 0.000 0.458 365 Y N -0.734 119.562 120.300 -0.007 0.000 2.605 365 Y HA 0.305 4.854 4.550 -0.001 0.000 0.343 365 Y C -0.564 175.333 175.900 -0.005 0.000 1.036 365 Y CA -1.313 56.775 58.100 -0.019 0.000 1.065 365 Y CB 1.235 39.675 38.460 -0.032 0.000 1.288 365 Y HN -0.263 nan 8.280 nan 0.000 0.481 366 K N 0.315 120.803 120.400 0.147 0.000 2.221 366 K HA 0.794 5.113 4.320 -0.001 0.000 0.258 366 K C -1.670 174.964 176.600 0.057 0.000 0.944 366 K CA -0.816 55.525 56.287 0.090 0.000 0.823 366 K CB 1.992 34.537 32.500 0.074 0.000 1.113 366 K HN 0.393 nan 8.250 nan 0.000 0.431 367 V N 4.866 124.813 119.914 0.056 0.000 2.347 367 V HA 0.300 4.419 4.120 -0.001 0.000 0.280 367 V C -0.211 175.909 176.094 0.043 0.000 1.021 367 V CA -0.791 61.531 62.300 0.036 0.000 0.847 367 V CB 0.784 32.654 31.823 0.078 0.000 0.990 367 V HN 0.666 nan 8.190 nan 0.000 0.444 368 L N 5.036 126.238 121.223 -0.036 0.000 2.331 368 L HA 0.671 5.010 4.340 -0.001 0.000 0.275 368 L C -0.753 176.063 176.870 -0.091 0.000 1.022 368 L CA -0.476 54.351 54.840 -0.023 0.000 0.812 368 L CB 1.805 43.791 42.059 -0.123 0.000 1.257 368 L HN 0.616 nan 8.230 nan 0.000 0.435 369 F N 1.853 121.673 119.950 -0.217 0.000 2.578 369 F HA 0.806 5.332 4.527 -0.001 0.000 0.311 369 F C -0.837 174.770 175.800 -0.322 0.000 1.094 369 F CA -0.408 57.338 58.000 -0.424 0.000 0.923 369 F CB 1.723 40.477 39.000 -0.409 0.000 1.230 369 F HN 0.482 nan 8.300 nan 0.000 0.450 370 A N 4.292 126.356 122.820 -1.259 0.000 2.539 370 A HA 0.649 4.968 4.320 -0.001 0.000 0.296 370 A C -1.712 175.112 177.584 -1.268 0.000 1.073 370 A CA -0.712 50.667 52.037 -1.097 0.000 0.700 370 A CB 1.803 20.099 19.000 -1.174 0.000 1.296 370 A HN 0.822 nan 8.150 nan 0.000 0.405 371 E N 0.716 120.525 120.200 -0.651 0.000 2.222 371 E HA 0.492 4.841 4.350 -0.001 0.000 0.267 371 E C -0.811 175.812 176.600 0.037 0.000 0.884 371 E CA -0.773 55.442 56.400 -0.309 0.000 0.764 371 E CB 1.285 30.921 29.700 -0.107 0.000 1.169 371 E HN 0.487 nan 8.360 nan 0.000 0.413 372 K N 1.853 122.330 120.400 0.129 0.000 2.379 372 K HA 0.127 4.447 4.320 -0.001 0.000 0.284 372 K C -0.254 176.408 176.600 0.103 0.000 1.044 372 K CA -0.098 56.303 56.287 0.191 0.000 0.974 372 K CB 0.653 33.241 32.500 0.147 0.000 0.962 372 K HN 0.217 nan 8.250 nan 0.000 0.474 373 R N 0.000 120.554 120.500 0.089 0.000 2.786 373 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 373 R CA 0.000 56.134 56.100 0.057 0.000 0.921 373 R CB 0.000 30.331 30.300 0.052 0.000 0.687 373 R HN 0.000 nan 8.270 nan 0.000 0.535