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 3n2b_1_B DATA FIRST_RESID 1 DATA SEQUENCE MDYFNYQEDG QLWAEQVPLA DLANQYGTPL YVYSRATLER HWHAFDKSVG DATA SEQUENCE DYPHLICYAV KANSNLGVLN TLARLGSGFD IVSVGELERV LAAGGDPSKV DATA SEQUENCE VFSGVGKTEA EMKRALQLKI KCFNVESEPE LQRLNKVAGE LGVKAPISLR DATA SEQUENCE INPDVXXXXX XXXXXXXXXX XFGITFDRAA QVYRLAHSLP NLDVHGIDCH DATA SEQUENCE IGXXXXXLAP FIDATDRLLA LIDSLKAEGI HIRHLDVGGG LGVVYXXXXP DATA SEQUENCE PQPSEYAKAL LDRLERHRDL ELIFEPGRAI AANAGVLVTK VEFLKHTEHK DATA SEQUENCE NFAIIDAAMN DLIRPALYQA WQDIIPLRPR QGEAQTYDLV GPVCETSDFL DATA SEQUENCE GKDRDLVLQE GDLLAVRSSG AYGFTMSSNY NTRPRVAEVM VDGNKTYLVR DATA SEQUENCE QREELSSLWA LESVLPE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.382 176.300 0.137 0.000 1.140 1 M CA 0.000 55.369 55.300 0.114 0.000 0.988 1 M CB 0.000 32.686 32.600 0.143 0.000 1.302 2 D N -1.142 119.278 120.400 0.033 0.000 2.665 2 D HA 0.359 5.000 4.640 0.001 0.000 0.287 2 D C -0.781 175.441 176.300 -0.129 0.000 1.266 2 D CA -0.454 53.578 54.000 0.052 0.000 0.830 2 D CB 0.307 41.288 40.800 0.301 0.000 1.356 2 D HN 0.059 nan 8.370 nan 0.000 0.437 3 Y N -0.763 119.435 120.300 -0.170 0.000 2.583 3 Y HA 0.361 4.912 4.550 0.001 0.000 0.294 3 Y C -0.270 175.412 175.900 -0.363 0.000 1.170 3 Y CA -0.519 57.425 58.100 -0.260 0.000 1.265 3 Y CB 0.027 38.297 38.460 -0.315 0.000 1.119 3 Y HN 0.116 nan 8.280 nan 0.000 0.522 4 F N 0.928 120.946 119.950 0.113 0.000 2.303 4 F HA 0.357 4.885 4.527 0.001 0.000 0.368 4 F C -0.308 175.478 175.800 -0.022 0.000 1.105 4 F CA -0.780 57.249 58.000 0.049 0.000 1.153 4 F CB 0.288 39.308 39.000 0.033 0.000 1.362 4 F HN 0.007 nan 8.300 nan 0.000 0.511 5 N N 0.734 119.487 118.700 0.089 0.000 2.416 5 N HA 0.402 5.143 4.740 0.001 0.000 0.276 5 N C -1.581 173.925 175.510 -0.007 0.000 1.261 5 N CA -0.969 52.090 53.050 0.013 0.000 0.790 5 N CB 1.559 40.066 38.487 0.033 0.000 1.554 5 N HN 0.175 nan 8.380 nan 0.000 0.481 6 Y N 0.941 121.317 120.300 0.128 0.000 2.346 6 Y HA 0.219 4.770 4.550 0.002 0.000 0.330 6 Y C 0.723 176.638 175.900 0.024 0.000 1.178 6 Y CA 0.072 58.254 58.100 0.135 0.000 1.331 6 Y CB 0.585 39.111 38.460 0.109 0.000 1.253 6 Y HN 0.222 nan 8.280 nan 0.000 0.529 7 Q N 1.143 121.022 119.800 0.132 0.000 2.576 7 Q HA 0.137 4.477 4.340 0.001 0.000 0.249 7 Q C 1.229 177.220 176.000 -0.014 0.000 1.041 7 Q CA -0.544 55.164 55.803 -0.158 0.000 0.928 7 Q CB 0.709 28.960 28.738 -0.813 0.000 1.302 7 Q HN 0.852 nan 8.270 nan 0.000 0.504 8 E N 0.413 120.564 120.200 -0.081 0.000 2.219 8 E HA -0.234 4.117 4.350 0.001 0.000 0.198 8 E C 0.374 177.009 176.600 0.058 0.000 0.998 8 E CA 1.809 58.203 56.400 -0.010 0.000 0.818 8 E CB -0.058 29.620 29.700 -0.036 0.000 0.741 8 E HN 0.560 nan 8.360 nan 0.000 0.477 9 D N -0.057 120.419 120.400 0.126 0.000 2.349 9 D HA 0.042 4.683 4.640 0.001 0.000 0.224 9 D C 1.348 177.757 176.300 0.182 0.000 1.029 9 D CA 0.691 54.797 54.000 0.177 0.000 0.879 9 D CB 0.185 41.145 40.800 0.267 0.000 0.906 9 D HN 0.409 nan 8.370 nan 0.000 0.528 10 G N 0.344 109.256 108.800 0.186 0.000 2.157 10 G HA2 -0.288 3.673 3.960 0.001 0.000 0.248 10 G HA3 -0.288 3.673 3.960 0.001 0.000 0.248 10 G C 0.035 175.089 174.900 0.257 0.000 0.979 10 G CA 0.444 45.641 45.100 0.161 0.000 0.650 10 G HN 0.745 nan 8.290 nan 0.000 0.529 11 Q N -0.911 119.123 119.800 0.391 0.000 2.378 11 Q HA 0.847 5.187 4.340 0.001 0.000 0.276 11 Q C -0.511 175.824 176.000 0.559 0.000 1.083 11 Q CA -1.358 54.698 55.803 0.423 0.000 0.856 11 Q CB 1.888 30.759 28.738 0.222 0.000 1.383 11 Q HN 0.488 nan 8.270 nan 0.000 0.458 12 L N 1.505 122.904 121.223 0.295 0.000 2.305 12 L HA 0.451 4.792 4.340 0.001 0.000 0.281 12 L C -1.626 175.353 176.870 0.182 0.000 1.085 12 L CA 0.211 55.069 54.840 0.029 0.000 0.813 12 L CB 0.367 42.276 42.059 -0.251 0.000 1.157 12 L HN 0.642 nan 8.230 nan 0.000 0.436 13 W N 3.769 125.046 121.300 -0.038 0.000 2.689 13 W HA 0.742 5.403 4.660 0.001 0.000 0.340 13 W C -0.479 176.062 176.519 0.038 0.000 1.060 13 W CA -0.862 56.490 57.345 0.012 0.000 1.218 13 W CB 1.763 31.229 29.460 0.010 0.000 1.410 13 W HN 0.649 nan 8.180 nan 0.000 0.528 14 A N 2.601 125.570 122.820 0.249 0.000 2.253 14 A HA 0.616 4.937 4.320 0.001 0.000 0.316 14 A C 0.409 178.000 177.584 0.012 0.000 1.327 14 A CA -0.054 52.017 52.037 0.057 0.000 0.917 14 A CB 0.007 19.088 19.000 0.135 0.000 1.162 14 A HN 0.871 nan 8.150 nan 0.000 0.535 15 E N 0.679 120.852 120.200 -0.044 0.000 3.289 15 E HA -0.318 4.033 4.350 0.001 0.000 0.386 15 E C -0.108 176.573 176.600 0.134 0.000 1.526 15 E CA 1.907 58.312 56.400 0.007 0.000 1.519 15 E CB -0.598 29.014 29.700 -0.147 0.000 1.657 15 E HN 0.724 nan 8.360 nan 0.000 0.479 16 Q N 0.377 120.258 119.800 0.135 0.000 2.225 16 Q HA 0.343 4.684 4.340 0.001 0.000 0.259 16 Q C -1.113 175.148 176.000 0.435 0.000 0.872 16 Q CA 0.092 56.068 55.803 0.288 0.000 1.042 16 Q CB 1.348 30.167 28.738 0.136 0.000 1.142 16 Q HN 0.168 nan 8.270 nan 0.000 0.463 17 V N 1.433 121.541 119.914 0.324 0.000 2.483 17 V HA 0.451 4.572 4.120 0.001 0.000 0.297 17 V C -2.452 173.515 176.094 -0.211 0.000 1.027 17 V CA -2.478 59.838 62.300 0.027 0.000 0.855 17 V CB 2.032 33.834 31.823 -0.035 0.000 0.995 17 V HN 0.088 nan 8.190 nan 0.000 0.424 18 P HA 0.225 nan 4.420 nan 0.000 0.268 18 P C 0.918 177.983 177.300 -0.391 0.000 1.204 18 P CA 0.025 62.535 63.100 -0.983 0.000 0.768 18 P CB 0.830 31.861 31.700 -1.115 0.000 0.842 19 L N 2.592 123.671 121.223 -0.240 0.000 2.141 19 L HA -0.197 4.144 4.340 0.001 0.000 0.209 19 L C 2.343 179.144 176.870 -0.115 0.000 1.094 19 L CA 1.730 56.507 54.840 -0.105 0.000 0.763 19 L CB -0.752 41.282 42.059 -0.042 0.000 0.908 19 L HN 0.418 nan 8.230 nan 0.000 0.437 20 A N -0.081 122.649 122.820 -0.150 0.000 1.933 20 A HA -0.240 4.081 4.320 0.001 0.000 0.218 20 A C 1.840 179.354 177.584 -0.118 0.000 1.175 20 A CA 2.005 53.972 52.037 -0.116 0.000 0.628 20 A CB -0.470 18.464 19.000 -0.110 0.000 0.814 20 A HN 0.340 nan 8.150 nan 0.000 0.444 21 D N 0.121 120.424 120.400 -0.163 0.000 2.117 21 D HA -0.118 4.523 4.640 0.001 0.000 0.197 21 D C 1.923 178.176 176.300 -0.079 0.000 0.987 21 D CA 1.059 54.978 54.000 -0.136 0.000 0.829 21 D CB -0.338 40.356 40.800 -0.176 0.000 0.961 21 D HN 0.469 nan 8.370 nan 0.000 0.460 22 L N 0.512 121.711 121.223 -0.039 0.000 2.017 22 L HA -0.140 4.201 4.340 0.001 0.000 0.208 22 L C 2.537 179.455 176.870 0.079 0.000 1.073 22 L CA 1.167 56.056 54.840 0.083 0.000 0.745 22 L CB -0.560 41.534 42.059 0.059 0.000 0.894 22 L HN -0.012 nan 8.230 nan 0.000 0.432 23 A N 0.589 123.409 122.820 -0.001 0.000 1.917 23 A HA -0.306 4.015 4.320 0.001 0.000 0.219 23 A C 2.066 179.633 177.584 -0.029 0.000 1.182 23 A CA 2.460 54.487 52.037 -0.016 0.000 0.633 23 A CB -0.852 18.121 19.000 -0.045 0.000 0.819 23 A HN 0.520 nan 8.150 nan 0.000 0.448 24 N N -0.597 118.070 118.700 -0.056 0.000 2.120 24 N HA -0.208 4.533 4.740 0.001 0.000 0.188 24 N C 1.931 177.372 175.510 -0.115 0.000 1.024 24 N CA 2.023 55.027 53.050 -0.077 0.000 0.852 24 N CB -0.345 38.092 38.487 -0.085 0.000 1.003 24 N HN 0.666 nan 8.380 nan 0.000 0.424 25 Q N -1.737 117.964 119.800 -0.165 0.000 2.123 25 Q HA -0.088 4.253 4.340 0.001 0.000 0.199 25 Q C 0.665 176.383 176.000 -0.471 0.000 0.966 25 Q CA 1.198 56.785 55.803 -0.361 0.000 0.845 25 Q CB 0.023 28.435 28.738 -0.544 0.000 0.907 25 Q HN 0.550 nan 8.270 nan 0.000 0.439 26 Y N -0.786 119.481 120.300 -0.055 0.000 2.481 26 Y HA 0.369 4.920 4.550 0.001 0.000 0.247 26 Y C 0.754 176.626 175.900 -0.047 0.000 1.151 26 Y CA 0.259 58.329 58.100 -0.049 0.000 1.238 26 Y CB 1.147 39.574 38.460 -0.056 0.000 1.179 26 Y HN 0.242 nan 8.280 nan 0.000 0.524 27 G N 0.893 109.724 108.800 0.052 0.000 2.829 27 G HA2 -0.077 3.884 3.960 0.001 0.000 0.628 27 G HA3 -0.077 3.884 3.960 0.001 0.000 0.628 27 G C -0.245 174.661 174.900 0.009 0.000 1.412 27 G CA -0.353 44.756 45.100 0.016 0.000 0.864 27 G HN 0.419 nan 8.290 nan 0.000 0.544 28 T N -0.902 113.640 114.554 -0.019 0.000 2.907 28 T HA 0.807 5.158 4.350 0.001 0.000 0.292 28 T C -2.627 172.049 174.700 -0.039 0.000 1.043 28 T CA -1.258 60.817 62.100 -0.042 0.000 1.003 28 T CB 2.463 71.292 68.868 -0.064 0.000 1.084 28 T HN 0.606 nan 8.240 nan 0.000 0.483 29 P HA 0.600 nan 4.420 nan 0.000 0.274 29 P C -1.277 175.971 177.300 -0.086 0.000 1.246 29 P CA -0.741 62.303 63.100 -0.093 0.000 0.795 29 P CB 0.385 32.018 31.700 -0.112 0.000 1.006 30 L N 1.076 122.206 121.223 -0.156 0.000 2.526 30 L HA 0.433 4.774 4.340 0.001 0.000 0.263 30 L C -1.798 174.928 176.870 -0.239 0.000 0.943 30 L CA -0.631 54.128 54.840 -0.135 0.000 0.859 30 L CB 1.261 43.265 42.059 -0.091 0.000 1.313 30 L HN 0.197 nan 8.230 nan 0.000 0.406 31 Y N 3.807 123.988 120.300 -0.199 0.000 2.313 31 Y HA 0.643 5.194 4.550 0.002 0.000 0.332 31 Y C -0.106 175.464 175.900 -0.550 0.000 1.071 31 Y CA -0.187 57.711 58.100 -0.337 0.000 1.169 31 Y CB 1.728 39.976 38.460 -0.353 0.000 1.192 31 Y HN 0.337 nan 8.280 nan 0.000 0.487 32 V N 4.991 124.707 119.914 -0.330 0.000 2.483 32 V HA 0.344 4.465 4.120 0.001 0.000 0.297 32 V C -1.137 174.907 176.094 -0.083 0.000 1.027 32 V CA -1.217 60.928 62.300 -0.258 0.000 0.855 32 V CB 0.848 32.651 31.823 -0.033 0.000 0.995 32 V HN 0.470 nan 8.190 nan 0.000 0.424 33 Y N 1.598 121.999 120.300 0.168 0.000 2.446 33 Y HA 0.650 5.201 4.550 0.001 0.000 0.338 33 Y C 0.610 176.586 175.900 0.126 0.000 1.055 33 Y CA -1.337 56.880 58.100 0.196 0.000 1.101 33 Y CB 2.048 40.555 38.460 0.077 0.000 1.221 33 Y HN 0.548 nan 8.280 nan 0.000 0.460 34 S N 2.794 118.653 115.700 0.265 0.000 2.438 34 S HA 0.299 4.770 4.470 0.001 0.000 0.316 34 S C 1.125 175.690 174.600 -0.057 0.000 1.084 34 S CA -0.749 57.422 58.200 -0.048 0.000 1.107 34 S CB 0.525 63.539 63.200 -0.310 0.000 0.981 34 S HN 0.849 nan 8.310 nan 0.000 0.466 35 R N 3.937 124.378 120.500 -0.097 0.000 2.081 35 R HA -0.093 4.247 4.340 0.001 0.000 0.235 35 R C 2.070 178.271 176.300 -0.165 0.000 1.131 35 R CA 1.825 57.867 56.100 -0.096 0.000 0.960 35 R CB -0.655 29.607 30.300 -0.065 0.000 0.856 35 R HN 0.774 nan 8.270 nan 0.000 0.436 36 A N -0.116 122.520 122.820 -0.308 0.000 1.933 36 A HA -0.111 4.210 4.320 0.001 0.000 0.218 36 A C 2.112 179.536 177.584 -0.267 0.000 1.175 36 A CA 1.907 53.686 52.037 -0.431 0.000 0.628 36 A CB -0.679 17.704 19.000 -1.029 0.000 0.814 36 A HN 0.464 nan 8.150 nan 0.000 0.444 37 T N 0.499 114.942 114.554 -0.185 0.000 2.777 37 T HA -0.066 4.285 4.350 0.001 0.000 0.266 37 T C 1.820 176.409 174.700 -0.185 0.000 1.040 37 T CA 1.415 63.452 62.100 -0.104 0.000 1.141 37 T CB -0.374 68.512 68.868 0.030 0.000 0.868 37 T HN 0.367 nan 8.240 nan 0.000 0.444 38 L N 0.671 121.854 121.223 -0.067 0.000 2.017 38 L HA -0.119 4.222 4.340 0.001 0.000 0.208 38 L C 2.777 179.638 176.870 -0.014 0.000 1.073 38 L CA 1.505 56.329 54.840 -0.026 0.000 0.745 38 L CB -0.553 41.453 42.059 -0.088 0.000 0.894 38 L HN 0.323 nan 8.230 nan 0.000 0.432 39 E N -0.306 119.864 120.200 -0.051 0.000 2.051 39 E HA -0.258 4.093 4.350 0.001 0.000 0.192 39 E C 2.243 178.925 176.600 0.138 0.000 0.991 39 E CA 1.009 57.405 56.400 -0.007 0.000 0.799 39 E CB -0.127 29.575 29.700 0.003 0.000 0.748 39 E HN 0.326 nan 8.360 nan 0.000 0.449 40 R N 0.617 121.166 120.500 0.081 0.000 2.080 40 R HA -0.208 4.133 4.340 0.001 0.000 0.236 40 R C 2.002 178.392 176.300 0.150 0.000 1.137 40 R CA 2.009 58.167 56.100 0.096 0.000 0.943 40 R CB -0.319 29.975 30.300 -0.009 0.000 0.846 40 R HN 0.363 nan 8.270 nan 0.000 0.431 41 H N -1.940 117.230 119.070 0.166 0.000 2.353 41 H HA -0.181 4.376 4.556 0.001 0.000 0.300 41 H C 1.701 177.176 175.328 0.245 0.000 1.090 41 H CA 1.333 57.497 56.048 0.194 0.000 1.327 41 H CB -0.232 29.639 29.762 0.182 0.000 1.383 41 H HN 0.410 nan 8.280 nan 0.000 0.508 42 W N 1.531 122.894 121.300 0.106 0.000 2.355 42 W HA -0.199 4.462 4.660 0.001 0.000 0.309 42 W C 2.170 178.705 176.519 0.027 0.000 1.206 42 W CA 1.575 58.905 57.345 -0.024 0.000 1.284 42 W CB -0.193 29.130 29.460 -0.229 0.000 1.145 42 W HN 0.270 nan 8.180 nan 0.000 0.502 43 H N -0.323 118.957 119.070 0.350 0.000 2.423 43 H HA -0.047 4.510 4.556 0.002 0.000 0.297 43 H C 2.208 177.534 175.328 -0.003 0.000 1.075 43 H CA 1.678 57.831 56.048 0.174 0.000 1.342 43 H CB -1.024 28.863 29.762 0.209 0.000 1.395 43 H HN 0.296 nan 8.280 nan 0.000 0.530 44 A N 0.722 123.631 122.820 0.149 0.000 1.877 44 A HA -0.156 4.165 4.320 0.001 0.000 0.216 44 A C 2.224 179.723 177.584 -0.141 0.000 1.186 44 A CA 1.247 53.287 52.037 0.006 0.000 0.620 44 A CB -0.978 18.031 19.000 0.015 0.000 0.822 44 A HN 0.206 nan 8.150 nan 0.000 0.443 45 F N -0.002 119.800 119.950 -0.245 0.000 2.146 45 F HA -0.129 4.399 4.527 0.002 0.000 0.298 45 F C 2.165 177.648 175.800 -0.527 0.000 1.096 45 F CA 1.857 59.611 58.000 -0.411 0.000 1.275 45 F CB -0.409 38.319 39.000 -0.453 0.000 1.008 45 F HN 0.333 nan 8.300 nan 0.000 0.480 46 D N -0.023 120.124 120.400 -0.422 0.000 2.144 46 D HA -0.151 4.490 4.640 0.001 0.000 0.199 46 D C 1.858 178.048 176.300 -0.184 0.000 0.984 46 D CA 1.396 55.145 54.000 -0.419 0.000 0.834 46 D CB -0.024 40.352 40.800 -0.707 0.000 0.955 46 D HN 0.141 nan 8.370 nan 0.000 0.465 47 K N -0.442 119.887 120.400 -0.118 0.000 2.314 47 K HA 0.021 4.342 4.320 0.001 0.000 0.198 47 K C 2.117 178.647 176.600 -0.118 0.000 1.045 47 K CA 0.725 56.978 56.287 -0.056 0.000 0.988 47 K CB 0.184 32.688 32.500 0.007 0.000 0.783 47 K HN 0.134 nan 8.250 nan 0.000 0.484 48 S N 0.532 116.107 115.700 -0.208 0.000 2.419 48 S HA -0.085 4.386 4.470 0.001 0.000 0.233 48 S C 1.959 176.425 174.600 -0.223 0.000 1.016 48 S CA 0.806 58.872 58.200 -0.223 0.000 0.974 48 S CB -0.414 62.587 63.200 -0.332 0.000 0.786 48 S HN -0.001 nan 8.310 nan 0.000 0.492 49 V N 1.663 121.386 119.914 -0.318 0.000 2.970 49 V HA 0.239 4.360 4.120 0.001 0.000 0.260 49 V C 1.874 177.926 176.094 -0.070 0.000 1.100 49 V CA 0.617 62.752 62.300 -0.273 0.000 1.122 49 V CB -1.928 29.521 31.823 -0.624 0.000 0.721 49 V HN 0.916 nan 8.190 nan 0.000 0.483 50 G N 0.945 109.721 108.800 -0.040 0.000 2.525 50 G HA2 -0.294 3.667 3.960 0.001 0.000 0.248 50 G HA3 -0.294 3.667 3.960 0.001 0.000 0.248 50 G C 0.032 175.013 174.900 0.135 0.000 1.238 50 G CA 0.259 45.392 45.100 0.055 0.000 0.926 50 G HN 0.360 nan 8.290 nan 0.000 0.574 51 D N -0.298 120.190 120.400 0.147 0.000 2.355 51 D HA 0.175 4.816 4.640 0.001 0.000 0.218 51 D C 0.917 177.326 176.300 0.182 0.000 1.004 51 D CA 0.453 54.541 54.000 0.147 0.000 0.880 51 D CB -0.054 40.800 40.800 0.091 0.000 0.911 51 D HN 0.417 nan 8.370 nan 0.000 0.528 52 Y N 2.456 122.844 120.300 0.146 0.000 2.620 52 Y HA 0.095 4.645 4.550 0.001 0.000 0.330 52 Y C -1.927 174.144 175.900 0.285 0.000 1.186 52 Y CA -2.123 56.080 58.100 0.171 0.000 1.467 52 Y CB 0.442 38.987 38.460 0.143 0.000 1.262 52 Y HN -0.064 nan 8.280 nan 0.000 0.550 53 P HA 0.016 nan 4.420 nan 0.000 0.263 53 P C -1.105 176.404 177.300 0.349 0.000 1.195 53 P CA 0.901 64.033 63.100 0.054 0.000 0.762 53 P CB 0.372 32.002 31.700 -0.116 0.000 0.799 54 H N 1.633 120.819 119.070 0.194 0.000 2.932 54 H HA 0.676 5.233 4.556 0.001 0.000 0.307 54 H C -2.123 173.306 175.328 0.168 0.000 1.391 54 H CA -1.115 55.078 56.048 0.241 0.000 1.130 54 H CB 1.188 31.164 29.762 0.357 0.000 1.836 54 H HN 0.299 nan 8.280 nan 0.000 0.522 55 L N 1.575 122.945 121.223 0.245 0.000 2.543 55 L HA 0.396 4.737 4.340 0.001 0.000 0.265 55 L C -1.650 175.368 176.870 0.246 0.000 0.945 55 L CA -0.666 54.255 54.840 0.135 0.000 0.869 55 L CB 1.671 43.760 42.059 0.049 0.000 1.294 55 L HN 0.564 nan 8.230 nan 0.000 0.405 56 I N 4.314 125.007 120.570 0.206 0.000 2.312 56 I HA 0.226 4.397 4.170 0.001 0.000 0.291 56 I C -0.305 175.874 176.117 0.103 0.000 1.031 56 I CA -0.130 61.252 61.300 0.136 0.000 1.293 56 I CB 0.701 38.632 38.000 -0.115 0.000 1.403 56 I HN 0.602 nan 8.210 nan 0.000 0.484 57 C N 7.735 127.076 119.300 0.068 0.000 2.184 57 C HA 0.201 4.662 4.460 0.001 0.000 0.328 57 C C 0.350 175.357 174.990 0.029 0.000 1.081 57 C CA -0.791 58.235 59.018 0.013 0.000 1.533 57 C CB -1.164 26.589 27.740 0.021 0.000 1.905 57 C HN 0.610 nan 8.230 nan 0.000 0.439 58 Y N 2.710 122.936 120.300 -0.124 0.000 2.717 58 Y HA 0.309 4.860 4.550 0.002 0.000 0.330 58 Y C 0.644 176.570 175.900 0.043 0.000 1.217 58 Y CA -0.111 57.957 58.100 -0.054 0.000 1.506 58 Y CB 0.550 38.973 38.460 -0.062 0.000 1.268 58 Y HN 0.743 nan 8.280 nan 0.000 0.561 59 A N 7.003 129.448 122.820 -0.625 0.000 2.544 59 A HA 0.303 4.623 4.320 0.001 0.000 0.301 59 A C 0.921 178.026 177.584 -0.799 0.000 1.368 59 A CA -0.200 51.543 52.037 -0.489 0.000 1.045 59 A CB -0.580 18.252 19.000 -0.280 0.000 1.129 59 A HN 0.915 nan 8.150 nan 0.000 0.540 60 V N 3.860 123.528 119.914 -0.409 0.000 2.380 60 V HA -0.349 3.772 4.120 0.001 0.000 0.251 60 V C 2.692 178.665 176.094 -0.202 0.000 1.063 60 V CA 2.568 64.739 62.300 -0.214 0.000 1.055 60 V CB -0.751 31.051 31.823 -0.034 0.000 0.657 60 V HN 1.068 nan 8.190 nan 0.000 0.455 61 K N 1.361 121.657 120.400 -0.173 0.000 2.211 61 K HA -0.146 4.175 4.320 0.001 0.000 0.204 61 K C 2.095 178.536 176.600 -0.264 0.000 1.047 61 K CA 1.677 57.900 56.287 -0.108 0.000 0.935 61 K CB -0.570 31.943 32.500 0.023 0.000 0.728 61 K HN 0.370 nan 8.250 nan 0.000 0.452 62 A N 1.722 124.253 122.820 -0.482 0.000 1.908 62 A HA -0.167 4.154 4.320 0.001 0.000 0.218 62 A C 0.971 178.253 177.584 -0.504 0.000 1.181 62 A CA 1.600 53.113 52.037 -0.873 0.000 0.627 62 A CB -0.354 18.279 19.000 -0.611 0.000 0.818 62 A HN 0.567 nan 8.150 nan 0.000 0.445 63 N N -1.880 116.693 118.700 -0.210 0.000 2.905 63 N HA 0.150 4.891 4.740 0.001 0.000 0.255 63 N C -0.827 174.683 175.510 -0.000 0.000 1.199 63 N CA 0.223 53.203 53.050 -0.115 0.000 0.911 63 N CB 0.935 39.312 38.487 -0.183 0.000 1.550 63 N HN -0.057 nan 8.380 nan 0.000 0.599 64 S N 1.077 116.763 115.700 -0.023 0.000 2.557 64 S HA 0.097 4.568 4.470 0.001 0.000 0.223 64 S C 0.651 175.232 174.600 -0.032 0.000 0.969 64 S CA -0.604 57.591 58.200 -0.007 0.000 0.927 64 S CB -0.263 62.925 63.200 -0.021 0.000 0.806 64 S HN 0.646 nan 8.310 nan 0.000 0.489 65 N N 2.255 120.922 118.700 -0.055 0.000 2.356 65 N HA 0.014 4.755 4.740 0.001 0.000 0.252 65 N C 0.961 176.424 175.510 -0.078 0.000 1.241 65 N CA 0.146 53.155 53.050 -0.069 0.000 0.861 65 N CB 0.458 38.897 38.487 -0.079 0.000 1.075 65 N HN 0.238 nan 8.380 nan 0.000 0.461 66 L N 3.335 124.512 121.223 -0.077 0.000 2.127 66 L HA -0.146 4.195 4.340 0.001 0.000 0.211 66 L C 2.382 179.197 176.870 -0.091 0.000 1.089 66 L CA 1.508 56.293 54.840 -0.092 0.000 0.757 66 L CB -0.673 41.334 42.059 -0.087 0.000 0.899 66 L HN 0.719 nan 8.230 nan 0.000 0.434 67 G N -0.444 108.315 108.800 -0.069 0.000 2.402 67 G HA2 -0.153 3.808 3.960 0.001 0.000 0.216 67 G HA3 -0.153 3.808 3.960 0.001 0.000 0.216 67 G C 1.604 176.464 174.900 -0.067 0.000 1.162 67 G CA 0.745 45.815 45.100 -0.050 0.000 0.777 67 G HN 0.173 nan 8.290 nan 0.000 0.539 68 V N 1.069 120.927 119.914 -0.094 0.000 2.270 68 V HA -0.117 4.004 4.120 0.001 0.000 0.245 68 V C 2.924 178.920 176.094 -0.162 0.000 1.043 68 V CA 1.454 63.658 62.300 -0.160 0.000 1.014 68 V CB -0.490 31.187 31.823 -0.243 0.000 0.645 68 V HN 0.331 nan 8.190 nan 0.000 0.447 69 L N 0.308 121.462 121.223 -0.115 0.000 2.046 69 L HA -0.221 4.120 4.340 0.001 0.000 0.208 69 L C 2.502 179.326 176.870 -0.078 0.000 1.077 69 L CA 2.108 56.900 54.840 -0.081 0.000 0.747 69 L CB -0.882 41.074 42.059 -0.171 0.000 0.896 69 L HN 0.506 nan 8.230 nan 0.000 0.432 70 N N -0.365 118.270 118.700 -0.109 0.000 2.166 70 N HA -0.180 4.560 4.740 0.001 0.000 0.186 70 N C 1.641 177.083 175.510 -0.114 0.000 1.019 70 N CA 1.883 54.870 53.050 -0.104 0.000 0.856 70 N CB 0.124 38.547 38.487 -0.107 0.000 0.993 70 N HN 0.267 nan 8.380 nan 0.000 0.426 71 T N 1.892 116.368 114.554 -0.130 0.000 2.684 71 T HA -0.113 4.238 4.350 0.001 0.000 0.267 71 T C 1.999 176.547 174.700 -0.252 0.000 1.036 71 T CA 1.132 63.134 62.100 -0.164 0.000 1.148 71 T CB -0.203 68.571 68.868 -0.157 0.000 0.863 71 T HN 0.213 nan 8.240 nan 0.000 0.436 72 L N 0.588 121.642 121.223 -0.281 0.000 2.109 72 L HA 0.035 4.376 4.340 0.001 0.000 0.207 72 L C 3.082 179.734 176.870 -0.363 0.000 1.086 72 L CA 0.963 55.524 54.840 -0.465 0.000 0.760 72 L CB -0.732 41.054 42.059 -0.455 0.000 0.910 72 L HN 0.228 nan 8.230 nan 0.000 0.437 73 A N 0.429 123.229 122.820 -0.033 0.000 1.940 73 A HA -0.205 4.116 4.320 0.001 0.000 0.219 73 A C 2.371 179.886 177.584 -0.116 0.000 1.176 73 A CA 1.451 53.513 52.037 0.041 0.000 0.631 73 A CB -0.474 18.569 19.000 0.071 0.000 0.814 73 A HN 0.343 nan 8.150 nan 0.000 0.446 74 R N -0.606 119.796 120.500 -0.164 0.000 2.189 74 R HA 0.065 4.406 4.340 0.001 0.000 0.223 74 R C 1.432 177.604 176.300 -0.214 0.000 1.092 74 R CA 0.947 56.954 56.100 -0.156 0.000 0.989 74 R CB -0.334 29.885 30.300 -0.134 0.000 0.876 74 R HN 0.513 nan 8.270 nan 0.000 0.457 75 L N -0.629 120.359 121.223 -0.393 0.000 2.554 75 L HA 0.170 4.511 4.340 0.001 0.000 0.226 75 L C 1.101 177.680 176.870 -0.485 0.000 1.137 75 L CA 0.463 54.973 54.840 -0.549 0.000 0.863 75 L CB 0.078 41.455 42.059 -1.137 0.000 0.985 75 L HN 0.410 nan 8.230 nan 0.000 0.451 76 G N 0.106 108.705 108.800 -0.335 0.000 2.132 76 G HA2 -0.274 3.687 3.960 0.001 0.000 0.234 76 G HA3 -0.274 3.687 3.960 0.001 0.000 0.234 76 G C 0.354 175.179 174.900 -0.124 0.000 0.989 76 G CA 0.373 45.384 45.100 -0.148 0.000 0.676 76 G HN 0.302 nan 8.290 nan 0.000 0.522 77 S N -0.312 115.177 115.700 -0.353 0.000 2.576 77 S HA 0.570 5.041 4.470 0.001 0.000 0.272 77 S C 1.299 175.698 174.600 -0.336 0.000 1.352 77 S CA 0.924 58.982 58.200 -0.237 0.000 1.021 77 S CB 0.525 63.348 63.200 -0.628 0.000 0.887 77 S HN 1.552 nan 8.310 nan 0.000 0.542 78 G N 1.162 109.804 108.800 -0.263 0.000 2.531 78 G HA2 0.676 4.637 3.960 0.001 0.000 0.313 78 G HA3 0.676 4.637 3.960 0.001 0.000 0.313 78 G C -1.479 173.016 174.900 -0.674 0.000 1.238 78 G CA -0.595 44.351 45.100 -0.256 0.000 0.994 78 G HN 0.567 nan 8.290 nan 0.000 0.493 79 F N -1.276 118.718 119.950 0.073 0.000 2.608 79 F HA 0.343 4.871 4.527 0.002 0.000 0.309 79 F C -0.895 174.905 175.800 0.000 0.000 1.103 79 F CA -0.899 57.136 58.000 0.059 0.000 0.954 79 F CB 2.762 41.781 39.000 0.031 0.000 1.267 79 F HN 0.405 nan 8.300 nan 0.000 0.444 80 D N 3.567 124.054 120.400 0.144 0.000 2.349 80 D HA 0.569 5.210 4.640 0.001 0.000 0.232 80 D C -0.813 175.508 176.300 0.034 0.000 1.071 80 D CA -0.250 53.789 54.000 0.065 0.000 0.832 80 D CB 0.857 41.675 40.800 0.030 0.000 1.086 80 D HN 0.502 nan 8.370 nan 0.000 0.504 81 I N 0.854 121.424 120.570 -0.000 0.000 2.750 81 I HA 0.540 4.711 4.170 0.001 0.000 0.308 81 I C 0.429 176.536 176.117 -0.017 0.000 1.016 81 I CA -1.051 60.199 61.300 -0.083 0.000 1.098 81 I CB 2.190 40.042 38.000 -0.246 0.000 1.279 81 I HN 0.214 nan 8.210 nan 0.000 0.454 82 V N 0.319 120.223 119.914 -0.016 0.000 3.346 82 V HA 0.459 4.580 4.120 0.001 0.000 0.309 82 V C 0.242 176.435 176.094 0.166 0.000 1.457 82 V CA 0.634 63.017 62.300 0.140 0.000 1.069 82 V CB -1.029 30.849 31.823 0.092 0.000 0.944 82 V HN 1.005 nan 8.190 nan 0.000 0.449 83 S N -1.905 113.747 115.700 -0.080 0.000 2.611 83 S HA 0.507 4.978 4.470 0.001 0.000 0.268 83 S C 0.055 174.489 174.600 -0.277 0.000 1.156 83 S CA 0.230 58.395 58.200 -0.058 0.000 0.817 83 S CB 1.591 64.783 63.200 -0.012 0.000 1.122 83 S HN 0.529 nan 8.310 nan 0.000 0.466 84 V N 1.808 121.639 119.914 -0.138 0.000 2.515 84 V HA 0.113 4.234 4.120 0.001 0.000 0.250 84 V C 2.219 178.232 176.094 -0.135 0.000 1.058 84 V CA 2.800 65.008 62.300 -0.154 0.000 1.064 84 V CB -1.163 30.641 31.823 -0.031 0.000 0.675 84 V HN 1.105 nan 8.190 nan 0.000 0.461 85 G N -0.754 107.991 108.800 -0.091 0.000 2.446 85 G HA2 -0.260 3.700 3.960 0.001 0.000 0.217 85 G HA3 -0.260 3.700 3.960 0.001 0.000 0.217 85 G C 1.417 176.250 174.900 -0.113 0.000 1.168 85 G CA 0.997 46.049 45.100 -0.080 0.000 0.771 85 G HN 0.602 nan 8.290 nan 0.000 0.551 86 E N -0.364 119.754 120.200 -0.137 0.000 2.106 86 E HA -0.079 4.272 4.350 0.001 0.000 0.192 86 E C 2.394 178.870 176.600 -0.207 0.000 0.984 86 E CA 0.609 56.916 56.400 -0.156 0.000 0.806 86 E CB -0.157 29.456 29.700 -0.145 0.000 0.750 86 E HN 0.340 nan 8.360 nan 0.000 0.458 87 L N 1.694 122.763 121.223 -0.255 0.000 2.046 87 L HA -0.182 4.159 4.340 0.001 0.000 0.208 87 L C 1.954 178.707 176.870 -0.196 0.000 1.077 87 L CA 1.814 56.500 54.840 -0.257 0.000 0.747 87 L CB -0.254 41.622 42.059 -0.304 0.000 0.896 87 L HN -0.028 nan 8.230 nan 0.000 0.432 88 E N -0.187 119.919 120.200 -0.158 0.000 2.106 88 E HA -0.196 4.155 4.350 0.001 0.000 0.192 88 E C 2.338 178.857 176.600 -0.135 0.000 0.984 88 E CA 0.957 57.283 56.400 -0.124 0.000 0.806 88 E CB -0.228 29.418 29.700 -0.091 0.000 0.750 88 E HN 0.560 nan 8.360 nan 0.000 0.458 89 R N 0.423 120.834 120.500 -0.148 0.000 2.073 89 R HA -0.085 4.256 4.340 0.001 0.000 0.234 89 R C 2.536 178.701 176.300 -0.226 0.000 1.134 89 R CA 1.151 57.157 56.100 -0.157 0.000 0.952 89 R CB -0.442 29.772 30.300 -0.143 0.000 0.850 89 R HN 0.007 nan 8.270 nan 0.000 0.433 90 V N 1.312 121.044 119.914 -0.303 0.000 2.287 90 V HA -0.258 3.863 4.120 0.001 0.000 0.248 90 V C 2.182 178.085 176.094 -0.320 0.000 1.053 90 V CA 1.624 63.641 62.300 -0.471 0.000 1.027 90 V CB -0.400 31.085 31.823 -0.564 0.000 0.646 90 V HN 0.188 nan 8.190 nan 0.000 0.447 91 L N 0.356 121.451 121.223 -0.214 0.000 2.017 91 L HA -0.112 4.229 4.340 0.001 0.000 0.208 91 L C 2.603 179.396 176.870 -0.129 0.000 1.073 91 L CA 2.325 57.078 54.840 -0.145 0.000 0.745 91 L CB -1.244 40.749 42.059 -0.109 0.000 0.894 91 L HN 0.292 nan 8.230 nan 0.000 0.432 92 A N -0.866 121.876 122.820 -0.129 0.000 2.019 92 A HA -0.062 4.259 4.320 0.001 0.000 0.219 92 A C 2.229 179.743 177.584 -0.117 0.000 1.164 92 A CA 1.533 53.505 52.037 -0.108 0.000 0.644 92 A CB -0.738 18.203 19.000 -0.099 0.000 0.805 92 A HN 0.365 nan 8.150 nan 0.000 0.449 93 A N -1.871 120.857 122.820 -0.154 0.000 2.278 93 A HA 0.439 4.760 4.320 0.001 0.000 0.212 93 A C 1.628 179.131 177.584 -0.135 0.000 1.213 93 A CA 1.039 52.984 52.037 -0.154 0.000 0.840 93 A CB -0.865 18.015 19.000 -0.200 0.000 0.866 93 A HN 1.839 nan 8.150 nan 0.000 0.489 94 G N -1.483 107.245 108.800 -0.121 0.000 2.136 94 G HA2 -0.038 3.923 3.960 0.001 0.000 0.242 94 G HA3 -0.038 3.923 3.960 0.001 0.000 0.242 94 G C 0.660 175.520 174.900 -0.066 0.000 0.989 94 G CA 0.212 45.260 45.100 -0.086 0.000 0.682 94 G HN 1.349 nan 8.290 nan 0.000 0.522 95 G N -0.563 108.173 108.800 -0.108 0.000 2.539 95 G HA2 0.452 4.413 3.960 0.001 0.000 0.258 95 G HA3 0.452 4.413 3.960 0.001 0.000 0.258 95 G C -0.425 174.482 174.900 0.012 0.000 1.202 95 G CA 0.351 45.434 45.100 -0.029 0.000 0.851 95 G HN 0.283 nan 8.290 nan 0.000 0.556 96 D N 1.277 121.739 120.400 0.104 0.000 2.347 96 D HA 0.270 4.911 4.640 0.001 0.000 0.235 96 D C -1.077 175.263 176.300 0.067 0.000 1.149 96 D CA -2.376 51.663 54.000 0.065 0.000 0.850 96 D CB 1.878 42.719 40.800 0.068 0.000 1.061 96 D HN 0.017 nan 8.370 nan 0.000 0.487 97 P HA -0.141 nan 4.420 nan 0.000 0.220 97 P C 1.141 178.452 177.300 0.018 0.000 1.148 97 P CA 0.758 63.862 63.100 0.007 0.000 0.803 97 P CB 0.044 31.735 31.700 -0.014 0.000 0.782 98 S N -0.523 115.194 115.700 0.029 0.000 2.507 98 S HA -0.036 4.435 4.470 0.001 0.000 0.235 98 S C 1.446 176.066 174.600 0.034 0.000 0.988 98 S CA 0.625 58.843 58.200 0.031 0.000 0.944 98 S CB -0.770 62.451 63.200 0.035 0.000 0.762 98 S HN 0.206 nan 8.310 nan 0.000 0.526 99 K N 0.876 121.306 120.400 0.051 0.000 2.455 99 K HA 0.347 4.668 4.320 0.001 0.000 0.206 99 K C -0.884 175.761 176.600 0.074 0.000 1.027 99 K CA -0.149 56.170 56.287 0.054 0.000 1.113 99 K CB 1.140 33.678 32.500 0.064 0.000 0.850 99 K HN 0.208 nan 8.250 nan 0.000 0.503 100 V N 2.267 122.215 119.914 0.057 0.000 2.472 100 V HA 0.269 4.390 4.120 0.001 0.000 0.290 100 V C -0.052 176.031 176.094 -0.017 0.000 1.037 100 V CA -0.973 61.356 62.300 0.048 0.000 0.908 100 V CB 1.581 33.404 31.823 0.002 0.000 0.985 100 V HN 0.014 nan 8.190 nan 0.000 0.454 101 V N 2.335 122.249 119.914 -0.001 0.000 2.628 101 V HA 0.636 4.757 4.120 0.001 0.000 0.306 101 V C -0.861 175.262 176.094 0.049 0.000 1.045 101 V CA -0.739 61.557 62.300 -0.006 0.000 0.905 101 V CB 1.824 33.652 31.823 0.008 0.000 0.997 101 V HN 0.732 nan 8.190 nan 0.000 0.436 102 F N 3.042 122.884 119.950 -0.179 0.000 2.375 102 F HA 0.699 5.227 4.527 0.001 0.000 0.361 102 F C 0.280 176.051 175.800 -0.047 0.000 1.117 102 F CA -0.332 57.576 58.000 -0.153 0.000 1.037 102 F CB 1.575 40.372 39.000 -0.339 0.000 1.192 102 F HN 0.732 nan 8.300 nan 0.000 0.452 103 S N 2.865 118.789 115.700 0.373 0.000 2.747 103 S HA 0.959 5.430 4.470 0.001 0.000 0.300 103 S C -0.274 174.405 174.600 0.131 0.000 1.121 103 S CA -0.219 58.077 58.200 0.159 0.000 0.995 103 S CB 1.786 65.056 63.200 0.118 0.000 1.113 103 S HN 1.122 nan 8.310 nan 0.000 0.547 104 G N -0.539 108.259 108.800 -0.004 0.000 2.627 104 G HA2 0.011 3.972 3.960 0.001 0.000 0.680 104 G HA3 0.011 3.972 3.960 0.001 0.000 0.680 104 G C 0.091 174.920 174.900 -0.119 0.000 1.341 104 G CA -0.337 44.739 45.100 -0.039 0.000 0.835 104 G HN 1.268 nan 8.290 nan 0.000 0.643 105 V N -0.542 119.276 119.914 -0.160 0.000 3.129 105 V HA 0.522 4.643 4.120 0.001 0.000 0.259 105 V C 1.586 177.618 176.094 -0.103 0.000 1.116 105 V CA 2.094 64.284 62.300 -0.183 0.000 1.127 105 V CB 0.412 32.042 31.823 -0.321 0.000 0.742 105 V HN 2.027 nan 8.190 nan 0.000 0.474 106 G N 0.404 109.162 108.800 -0.070 0.000 4.222 106 G HA2 0.270 4.231 3.960 0.001 0.000 0.301 106 G HA3 0.270 4.231 3.960 0.001 0.000 0.301 106 G C 0.173 175.060 174.900 -0.022 0.000 1.171 106 G CA -0.651 44.428 45.100 -0.035 0.000 0.937 106 G HN 0.453 nan 8.290 nan 0.000 0.557 107 K N 1.718 122.079 120.400 -0.065 0.000 2.484 107 K HA 0.190 4.510 4.320 0.001 0.000 0.280 107 K C 0.925 177.512 176.600 -0.021 0.000 1.013 107 K CA 0.264 56.511 56.287 -0.066 0.000 1.029 107 K CB 0.576 32.909 32.500 -0.278 0.000 0.902 107 K HN 0.370 nan 8.250 nan 0.000 0.481 108 T N -0.734 113.845 114.554 0.041 0.000 2.874 108 T HA 0.110 4.461 4.350 0.001 0.000 0.281 108 T C 1.095 175.815 174.700 0.033 0.000 0.994 108 T CA -0.773 61.347 62.100 0.034 0.000 1.015 108 T CB 1.185 70.082 68.868 0.049 0.000 1.028 108 T HN 0.553 nan 8.240 nan 0.000 0.523 109 E N 0.690 120.900 120.200 0.016 0.000 2.085 109 E HA -0.150 4.201 4.350 0.001 0.000 0.194 109 E C 2.442 179.067 176.600 0.042 0.000 0.994 109 E CA 1.206 57.613 56.400 0.011 0.000 0.801 109 E CB -0.427 29.273 29.700 -0.001 0.000 0.743 109 E HN 0.809 nan 8.360 nan 0.000 0.453 110 A N 1.635 124.485 122.820 0.051 0.000 1.902 110 A HA -0.255 4.066 4.320 0.001 0.000 0.217 110 A C 1.961 179.606 177.584 0.103 0.000 1.181 110 A CA 1.578 53.652 52.037 0.062 0.000 0.623 110 A CB -0.423 18.606 19.000 0.049 0.000 0.818 110 A HN 0.182 nan 8.150 nan 0.000 0.443 111 E N -0.677 119.611 120.200 0.146 0.000 2.051 111 E HA -0.180 4.171 4.350 0.001 0.000 0.192 111 E C 2.124 178.946 176.600 0.370 0.000 0.991 111 E CA 1.463 58.017 56.400 0.256 0.000 0.799 111 E CB -0.294 29.630 29.700 0.374 0.000 0.748 111 E HN 0.662 nan 8.360 nan 0.000 0.449 112 M N 0.718 120.494 119.600 0.294 0.000 2.108 112 M HA -0.205 4.276 4.480 0.001 0.000 0.261 112 M C 2.156 178.608 176.300 0.252 0.000 1.066 112 M CA 1.562 57.047 55.300 0.307 0.000 1.107 112 M CB -0.205 32.407 32.600 0.022 0.000 1.356 112 M HN -0.037 nan 8.290 nan 0.000 0.406 113 K N -0.328 120.158 120.400 0.143 0.000 2.026 113 K HA -0.187 4.134 4.320 0.001 0.000 0.208 113 K C 2.093 178.769 176.600 0.125 0.000 1.048 113 K CA 1.304 57.654 56.287 0.105 0.000 0.929 113 K CB -0.238 32.299 32.500 0.061 0.000 0.713 113 K HN 0.059 nan 8.250 nan 0.000 0.439 114 R N 1.346 121.921 120.500 0.125 0.000 2.081 114 R HA -0.066 4.275 4.340 0.001 0.000 0.235 114 R C 1.932 178.298 176.300 0.109 0.000 1.131 114 R CA 1.762 57.916 56.100 0.090 0.000 0.960 114 R CB -0.692 29.643 30.300 0.057 0.000 0.856 114 R HN 0.205 nan 8.270 nan 0.000 0.436 115 A N 0.379 123.316 122.820 0.195 0.000 1.898 115 A HA -0.056 4.265 4.320 0.001 0.000 0.216 115 A C 2.271 179.997 177.584 0.237 0.000 1.181 115 A CA 1.414 53.564 52.037 0.188 0.000 0.620 115 A CB -0.573 18.614 19.000 0.313 0.000 0.819 115 A HN 0.354 nan 8.150 nan 0.000 0.442 116 L N -0.883 120.546 121.223 0.343 0.000 2.046 116 L HA -0.250 4.090 4.340 0.001 0.000 0.208 116 L C 2.864 179.817 176.870 0.139 0.000 1.077 116 L CA 1.563 56.560 54.840 0.261 0.000 0.747 116 L CB -0.542 41.624 42.059 0.180 0.000 0.896 116 L HN 0.473 nan 8.230 nan 0.000 0.432 117 Q N -0.263 119.600 119.800 0.105 0.000 2.170 117 Q HA -0.159 4.182 4.340 0.001 0.000 0.203 117 Q C 2.130 178.160 176.000 0.050 0.000 0.976 117 Q CA 1.156 56.998 55.803 0.064 0.000 0.858 117 Q CB -0.049 28.719 28.738 0.049 0.000 0.907 117 Q HN 0.518 nan 8.270 nan 0.000 0.433 118 L N 0.292 121.545 121.223 0.049 0.000 2.599 118 L HA 0.024 4.365 4.340 0.001 0.000 0.230 118 L C -0.060 176.827 176.870 0.029 0.000 1.141 118 L CA 0.140 54.994 54.840 0.024 0.000 0.877 118 L CB 0.076 42.134 42.059 -0.002 0.000 1.009 118 L HN 0.119 nan 8.230 nan 0.000 0.447 119 K N 1.348 121.781 120.400 0.056 0.000 3.393 119 K HA -0.192 4.129 4.320 0.001 0.000 0.272 119 K C 0.179 176.799 176.600 0.033 0.000 1.004 119 K CA 0.356 56.678 56.287 0.059 0.000 0.764 119 K CB -1.813 30.717 32.500 0.049 0.000 1.373 119 K HN 0.480 nan 8.250 nan 0.000 0.458 120 I N -2.672 117.902 120.570 0.007 0.000 3.194 120 I HA 0.019 4.190 4.170 0.001 0.000 0.283 120 I C 1.770 177.866 176.117 -0.034 0.000 1.199 120 I CA -0.385 60.885 61.300 -0.051 0.000 1.328 120 I CB 0.685 38.589 38.000 -0.160 0.000 1.404 120 I HN 0.172 nan 8.210 nan 0.000 0.618 121 K N 1.298 121.676 120.400 -0.036 0.000 2.001 121 K HA -0.016 4.305 4.320 0.001 0.000 0.208 121 K C 0.022 176.622 176.600 0.001 0.000 1.048 121 K CA 1.442 57.727 56.287 -0.005 0.000 0.932 121 K CB 0.027 32.520 32.500 -0.013 0.000 0.715 121 K HN 0.775 nan 8.250 nan 0.000 0.437 122 C N -0.722 118.559 119.300 -0.033 0.000 3.241 122 C HA 0.448 4.909 4.460 0.001 0.000 0.348 122 C C -1.688 173.282 174.990 -0.034 0.000 1.180 122 C CA -1.265 57.782 59.018 0.048 0.000 1.273 122 C CB 0.488 28.333 27.740 0.176 0.000 1.620 122 C HN 0.305 nan 8.230 nan 0.000 0.510 123 F N 4.328 124.313 119.950 0.057 0.000 2.405 123 F HA 0.379 4.907 4.527 0.001 0.000 0.355 123 F C 0.709 176.516 175.800 0.013 0.000 1.121 123 F CA -0.156 57.854 58.000 0.016 0.000 1.112 123 F CB 0.871 39.833 39.000 -0.064 0.000 1.126 123 F HN 0.481 nan 8.300 nan 0.000 0.481 124 N N 3.549 122.333 118.700 0.140 0.000 2.521 124 N HA 0.195 4.936 4.740 0.001 0.000 0.236 124 N C -0.660 174.869 175.510 0.031 0.000 1.067 124 N CA -0.136 52.972 53.050 0.097 0.000 0.939 124 N CB 1.165 39.710 38.487 0.097 0.000 1.201 124 N HN 0.202 nan 8.380 nan 0.000 0.511 125 V N 2.020 121.942 119.914 0.013 0.000 2.583 125 V HA 0.113 4.234 4.120 0.001 0.000 0.287 125 V C 1.339 177.393 176.094 -0.067 0.000 1.051 125 V CA -0.137 62.135 62.300 -0.046 0.000 1.010 125 V CB 1.549 33.334 31.823 -0.063 0.000 0.988 125 V HN 0.514 nan 8.190 nan 0.000 0.478 126 E N 2.000 122.153 120.200 -0.079 0.000 2.473 126 E HA 0.151 4.502 4.350 0.001 0.000 0.204 126 E C 0.469 177.055 176.600 -0.024 0.000 0.994 126 E CA 0.316 56.674 56.400 -0.071 0.000 0.945 126 E CB 1.109 30.730 29.700 -0.131 0.000 0.990 126 E HN 0.797 nan 8.360 nan 0.000 0.493 127 S N -1.061 114.618 115.700 -0.036 0.000 2.596 127 S HA 0.325 4.796 4.470 0.001 0.000 0.270 127 S C 0.524 175.098 174.600 -0.043 0.000 1.155 127 S CA -0.774 57.417 58.200 -0.014 0.000 0.827 127 S CB 1.865 65.079 63.200 0.022 0.000 1.130 127 S HN -0.124 nan 8.310 nan 0.000 0.467 128 E N 0.545 120.724 120.200 -0.036 0.000 2.072 128 E HA -0.020 4.331 4.350 0.001 0.000 0.191 128 E C -1.067 175.508 176.600 -0.042 0.000 0.985 128 E CA 1.168 57.541 56.400 -0.045 0.000 0.801 128 E CB -1.030 28.649 29.700 -0.035 0.000 0.750 128 E HN 0.513 nan 8.360 nan 0.000 0.452 129 P HA -0.173 nan 4.420 nan 0.000 0.218 129 P C 1.161 178.433 177.300 -0.047 0.000 1.149 129 P CA 1.154 64.235 63.100 -0.032 0.000 0.817 129 P CB 0.035 31.724 31.700 -0.019 0.000 0.785 130 E N -0.416 119.751 120.200 -0.054 0.000 2.072 130 E HA -0.177 4.174 4.350 0.001 0.000 0.191 130 E C 1.873 178.414 176.600 -0.098 0.000 0.985 130 E CA 0.726 57.079 56.400 -0.079 0.000 0.801 130 E CB -0.533 29.116 29.700 -0.086 0.000 0.750 130 E HN 0.005 nan 8.360 nan 0.000 0.452 131 L N 1.351 122.520 121.223 -0.090 0.000 2.042 131 L HA -0.251 4.090 4.340 0.001 0.000 0.210 131 L C 2.405 179.221 176.870 -0.091 0.000 1.076 131 L CA 1.735 56.517 54.840 -0.098 0.000 0.749 131 L CB -0.360 41.646 42.059 -0.087 0.000 0.893 131 L HN 0.165 nan 8.230 nan 0.000 0.432 132 Q N -0.599 119.158 119.800 -0.072 0.000 2.050 132 Q HA -0.256 4.085 4.340 0.001 0.000 0.202 132 Q C 2.407 178.364 176.000 -0.072 0.000 0.980 132 Q CA 1.894 57.660 55.803 -0.062 0.000 0.840 132 Q CB -0.472 28.238 28.738 -0.046 0.000 0.898 132 Q HN 0.564 nan 8.270 nan 0.000 0.424 133 R N 0.436 120.889 120.500 -0.077 0.000 2.081 133 R HA -0.148 4.193 4.340 0.001 0.000 0.235 133 R C 2.284 178.514 176.300 -0.116 0.000 1.131 133 R CA 0.993 57.044 56.100 -0.082 0.000 0.960 133 R CB -0.256 29.998 30.300 -0.076 0.000 0.856 133 R HN 0.179 nan 8.270 nan 0.000 0.436 134 L N 1.572 122.698 121.223 -0.162 0.000 2.083 134 L HA -0.130 4.211 4.340 0.001 0.000 0.209 134 L C 1.827 178.579 176.870 -0.195 0.000 1.083 134 L CA 2.056 56.746 54.840 -0.249 0.000 0.752 134 L CB -0.883 40.963 42.059 -0.355 0.000 0.899 134 L HN 0.252 nan 8.230 nan 0.000 0.433 135 N N -0.221 118.396 118.700 -0.138 0.000 2.120 135 N HA -0.273 4.468 4.740 0.001 0.000 0.188 135 N C 1.982 177.444 175.510 -0.080 0.000 1.024 135 N CA 1.859 54.850 53.050 -0.099 0.000 0.852 135 N CB -0.217 38.227 38.487 -0.072 0.000 1.003 135 N HN 0.421 nan 8.380 nan 0.000 0.424 136 K N -0.078 120.278 120.400 -0.073 0.000 2.009 136 K HA -0.109 4.212 4.320 0.001 0.000 0.210 136 K C 1.747 178.314 176.600 -0.055 0.000 1.049 136 K CA 1.584 57.839 56.287 -0.055 0.000 0.929 136 K CB -0.301 32.170 32.500 -0.048 0.000 0.714 136 K HN 0.056 nan 8.250 nan 0.000 0.440 137 V N 1.319 121.191 119.914 -0.070 0.000 2.343 137 V HA -0.249 3.872 4.120 0.001 0.000 0.247 137 V C 2.475 178.533 176.094 -0.061 0.000 1.051 137 V CA 2.032 64.294 62.300 -0.063 0.000 1.036 137 V CB -0.734 31.042 31.823 -0.078 0.000 0.654 137 V HN 0.552 nan 8.190 nan 0.000 0.451 138 A N 0.341 123.108 122.820 -0.088 0.000 1.972 138 A HA -0.065 4.256 4.320 0.001 0.000 0.219 138 A C 2.390 179.950 177.584 -0.040 0.000 1.169 138 A CA 1.834 53.829 52.037 -0.070 0.000 0.635 138 A CB -1.076 17.867 19.000 -0.095 0.000 0.810 138 A HN 0.534 nan 8.150 nan 0.000 0.446 139 G N -0.400 108.375 108.800 -0.041 0.000 2.402 139 G HA2 -0.190 3.771 3.960 0.001 0.000 0.216 139 G HA3 -0.190 3.771 3.960 0.001 0.000 0.216 139 G C 1.402 176.291 174.900 -0.019 0.000 1.162 139 G CA 0.932 46.015 45.100 -0.027 0.000 0.777 139 G HN 0.646 nan 8.290 nan 0.000 0.539 140 E N -0.311 119.876 120.200 -0.021 0.000 2.110 140 E HA -0.068 4.283 4.350 0.001 0.000 0.193 140 E C 2.156 178.752 176.600 -0.007 0.000 0.988 140 E CA 0.534 56.926 56.400 -0.013 0.000 0.804 140 E CB -0.080 29.611 29.700 -0.014 0.000 0.745 140 E HN 0.270 nan 8.360 nan 0.000 0.458 141 L N -0.688 120.531 121.223 -0.007 0.000 2.554 141 L HA 0.149 4.490 4.340 0.001 0.000 0.226 141 L C 1.319 178.192 176.870 0.004 0.000 1.137 141 L CA 1.001 55.842 54.840 0.002 0.000 0.863 141 L CB -0.288 41.776 42.059 0.007 0.000 0.985 141 L HN 0.217 nan 8.230 nan 0.000 0.451 142 G N 0.167 108.966 108.800 -0.002 0.000 2.246 142 G HA2 -0.173 3.788 3.960 0.001 0.000 0.273 142 G HA3 -0.173 3.788 3.960 0.001 0.000 0.273 142 G C 0.225 175.128 174.900 0.007 0.000 1.055 142 G CA 0.471 45.572 45.100 0.001 0.000 0.851 142 G HN 0.432 nan 8.290 nan 0.000 0.500 143 V N -4.984 114.933 119.914 0.005 0.000 3.164 143 V HA 0.980 5.101 4.120 0.001 0.000 0.313 143 V C -0.473 175.625 176.094 0.008 0.000 1.188 143 V CA -1.784 60.524 62.300 0.014 0.000 1.058 143 V CB 2.171 34.010 31.823 0.026 0.000 1.110 143 V HN 0.090 nan 8.190 nan 0.000 0.453 144 K N 1.579 121.992 120.400 0.023 0.000 2.307 144 K HA 0.767 5.087 4.320 0.001 0.000 0.263 144 K C -0.335 176.279 176.600 0.024 0.000 0.973 144 K CA -0.153 56.148 56.287 0.023 0.000 0.846 144 K CB 1.505 34.035 32.500 0.050 0.000 1.100 144 K HN 1.136 nan 8.250 nan 0.000 0.438 145 A N 5.460 128.268 122.820 -0.021 0.000 2.309 145 A HA 0.395 4.716 4.320 0.001 0.000 0.290 145 A C -2.133 175.456 177.584 0.008 0.000 1.206 145 A CA -1.396 50.614 52.037 -0.046 0.000 0.850 145 A CB -0.079 18.759 19.000 -0.270 0.000 1.118 145 A HN 0.340 nan 8.150 nan 0.000 0.523 146 P HA 0.342 nan 4.420 nan 0.000 0.276 146 P C -0.519 176.836 177.300 0.091 0.000 1.253 146 P CA 0.291 63.310 63.100 -0.135 0.000 0.766 146 P CB 0.607 32.054 31.700 -0.422 0.000 0.845 147 I N -0.407 120.235 120.570 0.120 0.000 3.002 147 I HA 0.795 4.966 4.170 0.001 0.000 0.310 147 I C -0.810 175.426 176.117 0.198 0.000 1.087 147 I CA -1.099 60.299 61.300 0.163 0.000 1.017 147 I CB 2.547 40.598 38.000 0.085 0.000 1.226 147 I HN 0.222 nan 8.210 nan 0.000 0.443 148 S N 3.735 119.541 115.700 0.177 0.000 2.549 148 S HA 0.694 5.165 4.470 0.001 0.000 0.280 148 S C -1.112 173.532 174.600 0.073 0.000 1.109 148 S CA -0.737 57.574 58.200 0.186 0.000 0.905 148 S CB 1.563 64.914 63.200 0.250 0.000 1.081 148 S HN 0.636 nan 8.310 nan 0.000 0.477 149 L N 3.334 124.567 121.223 0.017 0.000 2.309 149 L HA 0.604 4.945 4.340 0.001 0.000 0.282 149 L C 0.095 176.952 176.870 -0.022 0.000 1.036 149 L CA -0.981 53.783 54.840 -0.127 0.000 0.806 149 L CB 1.440 43.213 42.059 -0.477 0.000 1.220 149 L HN 0.623 nan 8.230 nan 0.000 0.429 150 R N 3.848 124.323 120.500 -0.040 0.000 2.242 150 R HA 0.387 4.728 4.340 0.001 0.000 0.334 150 R C -0.854 175.403 176.300 -0.072 0.000 1.071 150 R CA -0.064 56.019 56.100 -0.028 0.000 0.922 150 R CB -0.016 30.252 30.300 -0.053 0.000 1.023 150 R HN 0.347 nan 8.270 nan 0.000 0.458 151 I N 3.426 123.937 120.570 -0.098 0.000 2.525 151 I HA 0.347 4.518 4.170 0.001 0.000 0.301 151 I C -0.240 175.731 176.117 -0.242 0.000 0.992 151 I CA -1.025 60.136 61.300 -0.232 0.000 1.162 151 I CB 1.653 39.418 38.000 -0.391 0.000 1.332 151 I HN 0.584 nan 8.210 nan 0.000 0.458 152 N N 5.565 124.105 118.700 -0.266 0.000 2.421 152 N HA 0.438 5.179 4.740 0.001 0.000 0.285 152 N C -2.533 172.917 175.510 -0.100 0.000 1.027 152 N CA -1.660 51.315 53.050 -0.126 0.000 0.918 152 N CB 0.991 39.458 38.487 -0.033 0.000 1.152 152 N HN 0.202 nan 8.380 nan 0.000 0.485 153 P HA -0.020 nan 4.420 nan 0.000 0.266 153 P C -0.380 177.122 177.300 0.337 0.000 1.195 153 P CA -0.030 63.272 63.100 0.337 0.000 0.768 153 P CB 0.443 32.270 31.700 0.211 0.000 0.838 154 D N 2.644 123.299 120.400 0.424 0.000 2.363 154 D HA 0.182 4.823 4.640 0.001 0.000 0.263 154 D C -0.201 176.166 176.300 0.112 0.000 1.258 154 D CA 0.367 54.498 54.000 0.217 0.000 0.907 154 D CB -0.031 40.787 40.800 0.029 0.000 1.107 154 D HN 0.092 nan 8.370 nan 0.000 0.495 173 G N 2.478 111.366 108.800 0.147 0.000 2.606 173 G HA2 -0.235 3.726 3.960 0.001 0.000 0.285 173 G HA3 -0.235 3.726 3.960 0.001 0.000 0.285 173 G C -0.454 174.484 174.900 0.062 0.000 1.311 173 G CA 0.248 45.384 45.100 0.060 0.000 0.922 173 G HN 0.570 nan 8.290 nan 0.000 0.559 174 I N 0.917 121.472 120.570 -0.025 0.000 2.530 174 I HA 0.420 4.591 4.170 0.001 0.000 0.297 174 I C 1.183 177.255 176.117 -0.076 0.000 1.011 174 I CA -0.240 61.034 61.300 -0.044 0.000 1.107 174 I CB 2.116 40.074 38.000 -0.070 0.000 1.285 174 I HN 0.906 nan 8.210 nan 0.000 0.436 175 T N 1.156 115.687 114.554 -0.038 0.000 2.900 175 T HA 0.133 4.484 4.350 0.001 0.000 0.307 175 T C 1.002 175.701 174.700 -0.002 0.000 1.065 175 T CA 0.057 62.150 62.100 -0.013 0.000 1.105 175 T CB 0.519 69.406 68.868 0.032 0.000 0.979 175 T HN 0.389 nan 8.240 nan 0.000 0.544 176 F N 1.608 121.574 119.950 0.027 0.000 2.120 176 F HA -0.119 4.409 4.527 0.002 0.000 0.300 176 F C 2.402 178.219 175.800 0.029 0.000 1.095 176 F CA 1.878 59.897 58.000 0.031 0.000 1.249 176 F CB -0.218 38.794 39.000 0.020 0.000 0.995 176 F HN 0.767 nan 8.300 nan 0.000 0.480 177 D N -0.444 120.084 120.400 0.213 0.000 2.350 177 D HA -0.139 4.502 4.640 0.001 0.000 0.216 177 D C 1.502 177.855 176.300 0.088 0.000 0.968 177 D CA 0.916 54.991 54.000 0.126 0.000 0.894 177 D CB -0.563 40.287 40.800 0.084 0.000 0.909 177 D HN 0.284 nan 8.370 nan 0.000 0.520 178 R N -0.315 120.230 120.500 0.075 0.000 2.437 178 R HA 0.458 4.799 4.340 0.001 0.000 0.257 178 R C 1.913 178.245 176.300 0.053 0.000 0.927 178 R CA 0.418 56.547 56.100 0.048 0.000 1.078 178 R CB 0.374 30.686 30.300 0.020 0.000 1.161 178 R HN 0.162 nan 8.270 nan 0.000 0.529 179 A N 1.957 124.827 122.820 0.083 0.000 1.873 179 A HA -0.196 4.125 4.320 0.001 0.000 0.218 179 A C 2.391 180.106 177.584 0.217 0.000 1.193 179 A CA 2.053 54.163 52.037 0.122 0.000 0.629 179 A CB -0.641 18.453 19.000 0.155 0.000 0.826 179 A HN 0.337 nan 8.150 nan 0.000 0.447 180 A N -0.890 122.042 122.820 0.187 0.000 1.908 180 A HA -0.280 4.041 4.320 0.001 0.000 0.218 180 A C 2.250 179.913 177.584 0.132 0.000 1.181 180 A CA 2.085 54.218 52.037 0.159 0.000 0.627 180 A CB -0.685 18.368 19.000 0.089 0.000 0.818 180 A HN 0.722 nan 8.150 nan 0.000 0.445 181 Q N -0.256 119.596 119.800 0.087 0.000 2.050 181 Q HA -0.134 4.207 4.340 0.001 0.000 0.202 181 Q C 1.917 177.944 176.000 0.046 0.000 0.980 181 Q CA 2.141 57.979 55.803 0.058 0.000 0.840 181 Q CB -0.217 28.543 28.738 0.037 0.000 0.898 181 Q HN 0.419 nan 8.270 nan 0.000 0.424 182 V N 0.172 120.097 119.914 0.018 0.000 2.427 182 V HA -0.235 3.886 4.120 0.001 0.000 0.248 182 V C 1.804 177.854 176.094 -0.074 0.000 1.051 182 V CA 1.656 63.925 62.300 -0.053 0.000 1.048 182 V CB -0.823 30.929 31.823 -0.119 0.000 0.666 182 V HN 0.412 nan 8.190 nan 0.000 0.456 183 Y N 0.578 120.883 120.300 0.008 0.000 2.224 183 Y HA -0.181 4.370 4.550 0.002 0.000 0.289 183 Y C 2.748 178.667 175.900 0.031 0.000 1.146 183 Y CA 1.555 59.662 58.100 0.011 0.000 1.182 183 Y CB -0.164 38.289 38.460 -0.012 0.000 0.983 183 Y HN 0.116 nan 8.280 nan 0.000 0.524 184 R N -0.745 119.859 120.500 0.172 0.000 2.115 184 R HA -0.145 4.196 4.340 0.001 0.000 0.230 184 R C 2.044 178.421 176.300 0.128 0.000 1.111 184 R CA 1.170 57.352 56.100 0.137 0.000 0.976 184 R CB -0.470 29.883 30.300 0.087 0.000 0.870 184 R HN 0.258 nan 8.270 nan 0.000 0.445 185 L N 0.745 122.013 121.223 0.076 0.000 2.027 185 L HA -0.038 4.303 4.340 0.001 0.000 0.206 185 L C 2.205 179.101 176.870 0.043 0.000 1.074 185 L CA 1.967 56.831 54.840 0.040 0.000 0.745 185 L CB -0.784 41.277 42.059 0.004 0.000 0.898 185 L HN 0.113 nan 8.230 nan 0.000 0.433 186 A N -1.408 121.439 122.820 0.045 0.000 1.908 186 A HA -0.310 4.011 4.320 0.001 0.000 0.218 186 A C 2.436 180.089 177.584 0.115 0.000 1.181 186 A CA 1.897 53.965 52.037 0.052 0.000 0.627 186 A CB -1.227 17.798 19.000 0.042 0.000 0.818 186 A HN 0.748 nan 8.150 nan 0.000 0.445 187 H N -0.345 118.759 119.070 0.057 0.000 2.387 187 H HA -0.061 4.496 4.556 0.002 0.000 0.299 187 H C 1.852 177.199 175.328 0.032 0.000 1.090 187 H CA 1.576 57.656 56.048 0.053 0.000 1.332 187 H CB 0.248 30.041 29.762 0.053 0.000 1.386 187 H HN 0.491 nan 8.280 nan 0.000 0.516 188 S N 0.384 116.099 115.700 0.025 0.000 2.496 188 S HA 0.094 4.565 4.470 0.001 0.000 0.224 188 S C 0.861 175.437 174.600 -0.039 0.000 0.996 188 S CA -0.137 58.044 58.200 -0.031 0.000 0.927 188 S CB 0.195 63.404 63.200 0.014 0.000 0.774 188 S HN 0.201 nan 8.310 nan 0.000 0.524 189 L N 3.320 124.528 121.223 -0.024 0.000 2.360 189 L HA 0.156 4.497 4.340 0.001 0.000 0.276 189 L C -1.238 175.608 176.870 -0.039 0.000 1.121 189 L CA -1.550 53.273 54.840 -0.029 0.000 0.845 189 L CB 0.502 42.545 42.059 -0.026 0.000 1.143 189 L HN 0.012 nan 8.230 nan 0.000 0.452 190 P HA -0.109 nan 4.420 nan 0.000 0.220 190 P C 0.321 177.605 177.300 -0.028 0.000 1.148 190 P CA 1.248 64.326 63.100 -0.037 0.000 0.803 190 P CB 0.164 31.846 31.700 -0.030 0.000 0.782 191 N N -0.923 117.759 118.700 -0.030 0.000 2.251 191 N HA 0.201 4.942 4.740 0.001 0.000 0.217 191 N C -0.009 175.484 175.510 -0.029 0.000 1.124 191 N CA -0.112 52.921 53.050 -0.029 0.000 0.843 191 N CB 0.138 38.601 38.487 -0.040 0.000 1.024 191 N HN 0.124 nan 8.380 nan 0.000 0.501 192 L N 0.100 121.314 121.223 -0.014 0.000 2.354 192 L HA 0.511 4.852 4.340 0.001 0.000 0.269 192 L C -0.900 176.012 176.870 0.069 0.000 1.005 192 L CA -0.987 53.858 54.840 0.008 0.000 0.819 192 L CB 1.798 43.856 42.059 -0.002 0.000 1.311 192 L HN -0.057 nan 8.230 nan 0.000 0.423 193 D N 1.561 122.039 120.400 0.131 0.000 2.391 193 D HA 0.324 4.965 4.640 0.001 0.000 0.245 193 D C -0.550 175.966 176.300 0.361 0.000 1.069 193 D CA -0.253 53.897 54.000 0.250 0.000 0.831 193 D CB 2.768 43.789 40.800 0.369 0.000 1.204 193 D HN -0.007 nan 8.370 nan 0.000 0.503 194 V N 3.344 123.446 119.914 0.312 0.000 2.470 194 V HA 0.079 4.200 4.120 0.001 0.000 0.276 194 V C 0.511 176.765 176.094 0.266 0.000 1.040 194 V CA 0.331 62.811 62.300 0.300 0.000 1.008 194 V CB 0.873 32.859 31.823 0.272 0.000 0.990 194 V HN 0.594 nan 8.190 nan 0.000 0.477 195 H N 2.429 121.531 119.070 0.052 0.000 2.735 195 H HA 0.477 5.034 4.556 0.002 0.000 0.250 195 H C 0.889 175.983 175.328 -0.390 0.000 0.948 195 H CA 0.751 56.741 56.048 -0.096 0.000 1.137 195 H CB 1.005 30.759 29.762 -0.014 0.000 1.440 195 H HN 0.753 nan 8.280 nan 0.000 0.444 196 G N -0.502 108.216 108.800 -0.137 0.000 2.866 196 G HA2 0.540 4.501 3.960 0.001 0.000 0.289 196 G HA3 0.540 4.501 3.960 0.001 0.000 0.289 196 G C -1.570 173.407 174.900 0.128 0.000 1.396 196 G CA -0.547 44.426 45.100 -0.213 0.000 0.848 196 G HN 0.142 nan 8.290 nan 0.000 0.515 197 I N 0.060 120.714 120.570 0.141 0.000 2.619 197 I HA 0.475 4.645 4.170 0.001 0.000 0.292 197 I C -1.885 174.324 176.117 0.154 0.000 1.100 197 I CA -0.810 60.604 61.300 0.191 0.000 1.043 197 I CB 2.429 40.498 38.000 0.115 0.000 1.239 197 I HN 0.407 nan 8.210 nan 0.000 0.420 198 D N 6.968 127.452 120.400 0.139 0.000 2.440 198 D HA 0.352 4.993 4.640 0.001 0.000 0.239 198 D C -1.662 174.706 176.300 0.114 0.000 1.084 198 D CA -0.040 54.038 54.000 0.130 0.000 0.843 198 D CB 1.582 42.476 40.800 0.156 0.000 1.097 198 D HN 0.518 nan 8.370 nan 0.000 0.531 199 C N 5.575 124.933 119.300 0.097 0.000 2.407 199 C HA 0.358 4.819 4.460 0.001 0.000 0.328 199 C C -0.542 174.528 174.990 0.132 0.000 1.137 199 C CA -0.646 58.425 59.018 0.089 0.000 1.390 199 C CB -0.678 27.070 27.740 0.013 0.000 1.989 199 C HN 0.632 nan 8.230 nan 0.000 0.432 200 H N 5.622 124.696 119.070 0.005 0.000 3.460 200 H HA 0.179 4.736 4.556 0.002 0.000 0.238 200 H C 1.117 176.486 175.328 0.069 0.000 1.752 200 H CA 0.022 56.090 56.048 0.033 0.000 1.503 200 H CB -0.270 29.508 29.762 0.026 0.000 1.830 200 H HN 0.733 nan 8.280 nan 0.000 0.614 201 I N -0.604 120.053 120.570 0.146 0.000 2.293 201 I HA 0.474 4.645 4.170 0.001 0.000 0.280 201 I C 0.575 176.912 176.117 0.366 0.000 1.075 201 I CA -0.123 61.312 61.300 0.225 0.000 1.702 201 I CB -0.198 37.797 38.000 -0.009 0.000 1.477 201 I HN 0.358 nan 8.210 nan 0.000 0.733 209 A N 1.558 124.410 122.820 0.054 0.000 1.877 209 A HA -0.019 4.302 4.320 0.001 0.000 0.216 209 A C -0.474 177.171 177.584 0.101 0.000 1.186 209 A CA 1.938 54.012 52.037 0.061 0.000 0.620 209 A CB -1.651 17.369 19.000 0.033 0.000 0.822 209 A HN 0.464 nan 8.150 nan 0.000 0.443 210 P HA -0.149 nan 4.420 nan 0.000 0.217 210 P C 1.631 179.030 177.300 0.164 0.000 1.151 210 P CA 1.050 64.223 63.100 0.121 0.000 0.828 210 P CB -0.285 31.491 31.700 0.125 0.000 0.788 211 F N 1.240 121.248 119.950 0.096 0.000 2.065 211 F HA -0.236 4.292 4.527 0.001 0.000 0.298 211 F C 2.208 178.055 175.800 0.078 0.000 1.112 211 F CA 1.726 59.803 58.000 0.128 0.000 1.212 211 F CB -0.895 38.244 39.000 0.231 0.000 0.975 211 F HN -0.293 nan 8.300 nan 0.000 0.476 212 I N 0.147 120.883 120.570 0.276 0.000 2.226 212 I HA -0.274 3.897 4.170 0.001 0.000 0.245 212 I C 2.170 178.268 176.117 -0.032 0.000 1.100 212 I CA 1.658 63.021 61.300 0.104 0.000 1.374 212 I CB -0.667 37.426 38.000 0.156 0.000 1.057 212 I HN 0.213 nan 8.210 nan 0.000 0.413 213 D N 1.063 121.461 120.400 -0.004 0.000 2.117 213 D HA -0.143 4.498 4.640 0.001 0.000 0.197 213 D C 2.156 178.399 176.300 -0.095 0.000 0.987 213 D CA 1.534 55.509 54.000 -0.042 0.000 0.829 213 D CB 0.128 40.917 40.800 -0.019 0.000 0.961 213 D HN 0.303 nan 8.370 nan 0.000 0.460 214 A N -0.636 122.136 122.820 -0.080 0.000 1.968 214 A HA -0.083 4.238 4.320 0.001 0.000 0.217 214 A C 2.332 179.858 177.584 -0.096 0.000 1.169 214 A CA 1.811 53.808 52.037 -0.067 0.000 0.638 214 A CB -0.681 18.355 19.000 0.060 0.000 0.812 214 A HN 0.255 nan 8.150 nan 0.000 0.446 215 T N 0.377 114.805 114.554 -0.210 0.000 2.746 215 T HA -0.122 4.229 4.350 0.001 0.000 0.267 215 T C 1.493 176.096 174.700 -0.162 0.000 1.039 215 T CA 1.539 63.496 62.100 -0.238 0.000 1.142 215 T CB -0.362 68.287 68.868 -0.366 0.000 0.866 215 T HN 0.453 nan 8.240 nan 0.000 0.444 216 D N 1.099 121.414 120.400 -0.141 0.000 2.097 216 D HA -0.040 4.601 4.640 0.001 0.000 0.195 216 D C 2.391 178.613 176.300 -0.130 0.000 0.989 216 D CA 0.969 54.899 54.000 -0.117 0.000 0.827 216 D CB -0.243 40.506 40.800 -0.086 0.000 0.966 216 D HN 0.335 nan 8.370 nan 0.000 0.456 217 R N -0.030 120.357 120.500 -0.189 0.000 2.120 217 R HA -0.102 4.239 4.340 0.001 0.000 0.234 217 R C 2.239 178.442 176.300 -0.162 0.000 1.123 217 R CA 0.440 56.367 56.100 -0.287 0.000 0.975 217 R CB -0.298 29.624 30.300 -0.630 0.000 0.866 217 R HN 0.127 nan 8.270 nan 0.000 0.446 218 L N 0.757 121.964 121.223 -0.026 0.000 2.027 218 L HA -0.096 4.245 4.340 0.001 0.000 0.206 218 L C 1.995 178.864 176.870 -0.001 0.000 1.074 218 L CA 1.568 56.493 54.840 0.141 0.000 0.745 218 L CB -0.270 41.865 42.059 0.128 0.000 0.898 218 L HN 0.114 nan 8.230 nan 0.000 0.433 219 L N -1.035 120.119 121.223 -0.114 0.000 2.083 219 L HA -0.169 4.172 4.340 0.001 0.000 0.209 219 L C 2.608 179.455 176.870 -0.038 0.000 1.083 219 L CA 1.067 55.773 54.840 -0.225 0.000 0.752 219 L CB -0.843 40.899 42.059 -0.529 0.000 0.899 219 L HN 0.331 nan 8.230 nan 0.000 0.433 220 A N -0.069 122.737 122.820 -0.023 0.000 1.933 220 A HA -0.215 4.106 4.320 0.001 0.000 0.218 220 A C 2.200 179.788 177.584 0.006 0.000 1.175 220 A CA 1.552 53.594 52.037 0.009 0.000 0.628 220 A CB -0.602 18.380 19.000 -0.030 0.000 0.814 220 A HN 0.318 nan 8.150 nan 0.000 0.444 221 L N 0.011 121.238 121.223 0.006 0.000 2.056 221 L HA -0.067 4.274 4.340 0.001 0.000 0.207 221 L C 2.179 179.021 176.870 -0.047 0.000 1.078 221 L CA 1.601 56.447 54.840 0.011 0.000 0.749 221 L CB -0.434 41.687 42.059 0.103 0.000 0.901 221 L HN 0.436 nan 8.230 nan 0.000 0.433 222 I N -0.451 120.096 120.570 -0.039 0.000 2.286 222 I HA -0.279 3.892 4.170 0.001 0.000 0.248 222 I C 1.962 178.063 176.117 -0.027 0.000 1.115 222 I CA 1.232 62.497 61.300 -0.059 0.000 1.392 222 I CB -0.512 37.484 38.000 -0.006 0.000 1.065 222 I HN 0.298 nan 8.210 nan 0.000 0.418 223 D N 0.548 120.968 120.400 0.032 0.000 2.084 223 D HA -0.135 4.505 4.640 0.001 0.000 0.196 223 D C 2.419 178.703 176.300 -0.027 0.000 0.985 223 D CA 1.903 55.919 54.000 0.026 0.000 0.826 223 D CB -0.316 40.522 40.800 0.062 0.000 0.978 223 D HN 0.333 nan 8.370 nan 0.000 0.456 224 S N 0.690 116.371 115.700 -0.033 0.000 2.368 224 S HA -0.121 4.350 4.470 0.001 0.000 0.225 224 S C 2.319 176.864 174.600 -0.091 0.000 1.030 224 S CA 0.689 58.860 58.200 -0.049 0.000 0.999 224 S CB -0.803 62.377 63.200 -0.033 0.000 0.844 224 S HN 0.221 nan 8.310 nan 0.000 0.459 225 L N 1.553 122.699 121.223 -0.129 0.000 2.083 225 L HA -0.073 4.268 4.340 0.001 0.000 0.209 225 L C 2.888 179.599 176.870 -0.265 0.000 1.083 225 L CA 1.736 56.451 54.840 -0.208 0.000 0.752 225 L CB -0.532 41.352 42.059 -0.291 0.000 0.899 225 L HN 0.402 nan 8.230 nan 0.000 0.433 226 K N 0.713 120.985 120.400 -0.215 0.000 2.103 226 K HA -0.214 4.107 4.320 0.001 0.000 0.207 226 K C 2.088 178.574 176.600 -0.189 0.000 1.048 226 K CA 1.470 57.617 56.287 -0.233 0.000 0.930 226 K CB -0.110 32.361 32.500 -0.049 0.000 0.716 226 K HN 0.264 nan 8.250 nan 0.000 0.444 227 A N 1.216 123.969 122.820 -0.113 0.000 1.972 227 A HA -0.147 4.174 4.320 0.001 0.000 0.219 227 A C 1.458 178.986 177.584 -0.093 0.000 1.169 227 A CA 1.562 53.556 52.037 -0.071 0.000 0.635 227 A CB -0.311 18.660 19.000 -0.047 0.000 0.810 227 A HN 0.527 nan 8.150 nan 0.000 0.446 228 E N -1.370 118.741 120.200 -0.148 0.000 2.489 228 E HA 0.283 4.634 4.350 0.001 0.000 0.193 228 E C 0.935 177.401 176.600 -0.224 0.000 1.057 228 E CA 0.213 56.523 56.400 -0.151 0.000 0.866 228 E CB -0.082 29.526 29.700 -0.154 0.000 0.916 228 E HN 0.718 nan 8.360 nan 0.000 0.500 229 G N 1.820 110.428 108.800 -0.319 0.000 2.137 229 G HA2 -0.269 3.691 3.960 0.001 0.000 0.237 229 G HA3 -0.269 3.691 3.960 0.001 0.000 0.237 229 G C 0.081 174.608 174.900 -0.622 0.000 1.002 229 G CA -0.206 44.681 45.100 -0.356 0.000 0.702 229 G HN 0.248 nan 8.290 nan 0.000 0.515 230 I N 2.141 122.255 120.570 -0.759 0.000 2.390 230 I HA 0.305 4.476 4.170 0.001 0.000 0.283 230 I C -0.149 175.641 176.117 -0.546 0.000 1.016 230 I CA -0.820 60.115 61.300 -0.608 0.000 1.151 230 I CB 0.867 38.563 38.000 -0.507 0.000 1.293 230 I HN 0.070 nan 8.210 nan 0.000 0.458 231 H N 7.468 126.467 119.070 -0.118 0.000 2.685 231 H HA 0.412 4.969 4.556 0.001 0.000 0.286 231 H C -0.123 175.133 175.328 -0.121 0.000 1.102 231 H CA -0.506 55.479 56.048 -0.105 0.000 1.254 231 H CB 1.349 31.064 29.762 -0.078 0.000 1.397 231 H HN 0.442 nan 8.280 nan 0.000 0.473 232 I N 3.648 124.185 120.570 -0.055 0.000 2.396 232 I HA 0.052 4.223 4.170 0.001 0.000 0.289 232 I C 1.358 177.443 176.117 -0.053 0.000 1.056 232 I CA 0.086 61.331 61.300 -0.092 0.000 1.365 232 I CB 0.825 38.742 38.000 -0.138 0.000 1.407 232 I HN 0.449 nan 8.210 nan 0.000 0.509 233 R N 3.916 124.351 120.500 -0.107 0.000 2.237 233 R HA 0.113 4.454 4.340 0.001 0.000 0.195 233 R C -0.315 176.022 176.300 0.062 0.000 0.956 233 R CA 0.217 56.297 56.100 -0.034 0.000 1.029 233 R CB 0.054 30.330 30.300 -0.040 0.000 0.972 233 R HN 0.733 nan 8.270 nan 0.000 0.493 234 H N -1.629 117.499 119.070 0.096 0.000 3.012 234 H HA 0.537 5.094 4.556 0.001 0.000 0.367 234 H C -1.662 173.708 175.328 0.070 0.000 1.211 234 H CA -1.490 54.615 56.048 0.094 0.000 1.139 234 H CB 1.210 31.035 29.762 0.104 0.000 1.838 234 H HN -0.094 nan 8.280 nan 0.000 0.550 235 L N 1.787 123.148 121.223 0.230 0.000 2.349 235 L HA 0.463 4.804 4.340 0.001 0.000 0.278 235 L C -1.217 175.676 176.870 0.038 0.000 0.996 235 L CA -0.382 54.523 54.840 0.109 0.000 0.825 235 L CB 1.705 43.776 42.059 0.020 0.000 1.243 235 L HN 0.867 nan 8.230 nan 0.000 0.412 236 D N 3.613 124.035 120.400 0.038 0.000 2.349 236 D HA 0.241 4.882 4.640 0.001 0.000 0.232 236 D C 0.643 176.864 176.300 -0.132 0.000 1.071 236 D CA -0.219 53.743 54.000 -0.063 0.000 0.832 236 D CB 1.841 42.651 40.800 0.016 0.000 1.086 236 D HN 0.461 nan 8.370 nan 0.000 0.504 237 V N 1.901 121.660 119.914 -0.257 0.000 3.647 237 V HA 0.474 4.595 4.120 0.001 0.000 0.279 237 V C 1.174 177.104 176.094 -0.274 0.000 1.314 237 V CA 0.546 62.716 62.300 -0.217 0.000 1.125 237 V CB -0.751 30.946 31.823 -0.210 0.000 0.907 237 V HN 0.744 nan 8.190 nan 0.000 0.434 238 G N 0.143 108.678 108.800 -0.442 0.000 2.598 238 G HA2 0.116 4.077 3.960 0.001 0.000 0.244 238 G HA3 0.116 4.077 3.960 0.001 0.000 0.244 238 G C 0.296 175.073 174.900 -0.205 0.000 1.302 238 G CA -0.045 44.647 45.100 -0.681 0.000 0.903 238 G HN 1.321 nan 8.290 nan 0.000 0.575 239 G N -2.605 106.123 108.800 -0.121 0.000 2.849 239 G HA2 0.665 4.625 3.960 0.001 0.000 0.174 239 G HA3 0.665 4.625 3.960 0.001 0.000 0.174 239 G C 1.609 176.535 174.900 0.043 0.000 1.370 239 G CA 1.189 46.296 45.100 0.012 0.000 1.040 239 G HN 2.633 nan 8.290 nan 0.000 0.582 240 G N -2.014 106.813 108.800 0.045 0.000 2.168 240 G HA2 -0.165 3.796 3.960 0.001 0.000 0.263 240 G HA3 -0.165 3.796 3.960 0.001 0.000 0.263 240 G C 0.095 174.988 174.900 -0.012 0.000 0.977 240 G CA 0.910 46.019 45.100 0.014 0.000 0.659 240 G HN 0.560 nan 8.290 nan 0.000 0.533 241 L N -0.776 120.494 121.223 0.078 0.000 2.331 241 L HA 0.860 5.201 4.340 0.001 0.000 0.268 241 L C 1.144 178.130 176.870 0.193 0.000 1.015 241 L CA 0.478 55.360 54.840 0.070 0.000 0.807 241 L CB 1.799 43.950 42.059 0.154 0.000 1.293 241 L HN 0.902 nan 8.230 nan 0.000 0.451 242 G N 0.266 109.062 108.800 -0.007 0.000 2.500 242 G HA2 0.119 4.080 3.960 0.001 0.000 0.227 242 G HA3 0.119 4.080 3.960 0.001 0.000 0.227 242 G C -1.224 173.502 174.900 -0.291 0.000 1.157 242 G CA -0.515 44.508 45.100 -0.128 0.000 0.945 242 G HN 0.338 nan 8.290 nan 0.000 0.518 243 V N 0.855 120.529 119.914 -0.400 0.000 2.398 243 V HA 0.657 4.778 4.120 0.001 0.000 0.286 243 V C 0.325 176.310 176.094 -0.181 0.000 1.026 243 V CA -0.838 61.200 62.300 -0.437 0.000 0.868 243 V CB 1.905 33.316 31.823 -0.688 0.000 0.982 243 V HN 0.223 nan 8.190 nan 0.000 0.443 244 V N 5.760 125.605 119.914 -0.115 0.000 2.370 244 V HA 0.476 4.597 4.120 0.001 0.000 0.283 244 V C -0.665 175.453 176.094 0.040 0.000 1.023 244 V CA -0.477 61.803 62.300 -0.033 0.000 0.857 244 V CB 1.072 32.868 31.823 -0.045 0.000 0.985 244 V HN 0.802 nan 8.190 nan 0.000 0.443 251 P HA 0.193 nan 4.420 nan 0.000 0.268 251 P C -0.465 176.839 177.300 0.007 0.000 1.205 251 P CA 0.310 63.499 63.100 0.149 0.000 0.771 251 P CB 1.503 33.258 31.700 0.093 0.000 0.858 252 Q N 2.588 122.373 119.800 -0.026 0.000 2.351 252 Q HA 0.495 4.836 4.340 0.001 0.000 0.273 252 Q C -2.316 173.614 176.000 -0.117 0.000 1.077 252 Q CA -2.096 53.667 55.803 -0.067 0.000 0.843 252 Q CB 1.876 30.582 28.738 -0.052 0.000 1.367 252 Q HN 0.406 nan 8.270 nan 0.000 0.449 253 P HA -0.005 nan 4.420 nan 0.000 0.274 253 P C -0.596 176.645 177.300 -0.099 0.000 1.256 253 P CA -0.250 62.758 63.100 -0.153 0.000 0.795 253 P CB 0.682 32.313 31.700 -0.115 0.000 1.038 254 S N -0.187 115.464 115.700 -0.082 0.000 2.608 254 S HA 0.041 4.512 4.470 0.001 0.000 0.261 254 S C 1.441 176.034 174.600 -0.012 0.000 1.314 254 S CA -0.444 57.746 58.200 -0.016 0.000 0.992 254 S CB 0.101 63.333 63.200 0.053 0.000 0.935 254 S HN 0.587 nan 8.310 nan 0.000 0.564 255 E N 0.857 121.034 120.200 -0.038 0.000 2.160 255 E HA -0.246 4.105 4.350 0.001 0.000 0.195 255 E C 1.490 177.958 176.600 -0.220 0.000 0.991 255 E CA 1.556 57.869 56.400 -0.146 0.000 0.810 255 E CB -0.963 28.598 29.700 -0.231 0.000 0.742 255 E HN 0.853 nan 8.360 nan 0.000 0.466 256 Y N 1.924 122.036 120.300 -0.313 0.000 2.089 256 Y HA -0.113 4.438 4.550 0.002 0.000 0.282 256 Y C 3.011 178.775 175.900 -0.228 0.000 1.139 256 Y CA 1.456 59.151 58.100 -0.675 0.000 1.123 256 Y CB -0.743 37.158 38.460 -0.931 0.000 0.980 256 Y HN 0.157 nan 8.280 nan 0.000 0.493 257 A N 0.266 123.149 122.820 0.106 0.000 1.902 257 A HA -0.254 4.067 4.320 0.001 0.000 0.217 257 A C 2.206 179.856 177.584 0.110 0.000 1.181 257 A CA 1.988 54.131 52.037 0.177 0.000 0.623 257 A CB -0.756 18.308 19.000 0.106 0.000 0.818 257 A HN 0.463 nan 8.150 nan 0.000 0.443 258 K N -0.211 120.211 120.400 0.037 0.000 2.063 258 K HA -0.132 4.188 4.320 0.001 0.000 0.208 258 K C 2.099 178.722 176.600 0.040 0.000 1.048 258 K CA 1.389 57.685 56.287 0.014 0.000 0.928 258 K CB -0.367 32.121 32.500 -0.019 0.000 0.713 258 K HN 0.355 nan 8.250 nan 0.000 0.442 259 A N 1.137 123.997 122.820 0.067 0.000 1.933 259 A HA -0.141 4.179 4.320 0.001 0.000 0.218 259 A C 2.012 179.684 177.584 0.146 0.000 1.175 259 A CA 1.324 53.429 52.037 0.114 0.000 0.628 259 A CB -0.504 18.600 19.000 0.172 0.000 0.814 259 A HN 0.404 nan 8.150 nan 0.000 0.444 260 L N -0.381 120.964 121.223 0.204 0.000 2.023 260 L HA 0.020 4.361 4.340 0.001 0.000 0.205 260 L C 2.263 179.128 176.870 -0.008 0.000 1.073 260 L CA 1.543 56.448 54.840 0.108 0.000 0.745 260 L CB -0.662 41.499 42.059 0.170 0.000 0.900 260 L HN 0.372 nan 8.230 nan 0.000 0.435 261 L N -0.206 121.004 121.223 -0.022 0.000 2.081 261 L HA -0.263 4.078 4.340 0.001 0.000 0.212 261 L C 2.153 178.995 176.870 -0.047 0.000 1.080 261 L CA 1.464 56.237 54.840 -0.111 0.000 0.754 261 L CB -0.861 41.158 42.059 -0.066 0.000 0.893 261 L HN 0.333 nan 8.230 nan 0.000 0.433 262 D N -0.119 120.283 120.400 0.003 0.000 2.219 262 D HA -0.128 4.513 4.640 0.001 0.000 0.205 262 D C 2.101 178.425 176.300 0.039 0.000 0.970 262 D CA 1.045 55.061 54.000 0.026 0.000 0.851 262 D CB -0.100 40.716 40.800 0.026 0.000 0.943 262 D HN 0.327 nan 8.370 nan 0.000 0.488 263 R N -0.134 120.383 120.500 0.028 0.000 2.310 263 R HA 0.232 4.573 4.340 0.001 0.000 0.202 263 R C 1.223 177.573 176.300 0.083 0.000 0.933 263 R CA 0.072 56.199 56.100 0.046 0.000 1.054 263 R CB 0.345 30.646 30.300 0.002 0.000 0.985 263 R HN 0.159 nan 8.270 nan 0.000 0.489 264 L N 0.463 121.721 121.223 0.058 0.000 2.910 264 L HA 0.142 4.483 4.340 0.001 0.000 0.252 264 L C 1.120 178.154 176.870 0.272 0.000 1.195 264 L CA -0.146 54.773 54.840 0.132 0.000 1.003 264 L CB 0.292 42.296 42.059 -0.091 0.000 1.328 264 L HN 0.030 nan 8.230 nan 0.000 0.540 265 E N 1.303 121.623 120.200 0.200 0.000 2.016 265 E HA -0.143 4.208 4.350 0.001 0.000 0.190 265 E C 2.185 178.879 176.600 0.155 0.000 0.985 265 E CA 0.876 57.392 56.400 0.193 0.000 0.802 265 E CB -0.162 29.612 29.700 0.124 0.000 0.762 265 E HN 0.406 nan 8.360 nan 0.000 0.448 266 R N 1.317 121.886 120.500 0.116 0.000 2.075 266 R HA -0.084 4.257 4.340 0.001 0.000 0.232 266 R C 0.645 176.945 176.300 0.000 0.000 1.126 266 R CA 1.117 57.237 56.100 0.034 0.000 0.963 266 R CB -1.366 28.926 30.300 -0.012 0.000 0.858 266 R HN 0.265 nan 8.270 nan 0.000 0.435 267 H N 1.789 120.909 119.070 0.083 0.000 3.224 267 H HA 0.317 4.873 4.556 0.001 0.000 0.265 267 H C 0.009 175.421 175.328 0.141 0.000 1.461 267 H CA 0.125 56.227 56.048 0.089 0.000 1.509 267 H CB 0.361 30.168 29.762 0.075 0.000 1.686 267 H HN 0.097 nan 8.280 nan 0.000 0.514 268 R N 1.094 121.687 120.500 0.156 0.000 2.855 268 R HA 0.074 4.415 4.340 0.001 0.000 0.266 268 R C -0.309 176.027 176.300 0.060 0.000 1.034 268 R CA -0.830 55.342 56.100 0.120 0.000 0.944 268 R CB 1.454 31.789 30.300 0.058 0.000 1.219 268 R HN 0.504 nan 8.270 nan 0.000 0.474 269 D N 1.821 122.240 120.400 0.032 0.000 3.134 269 D HA 0.053 4.694 4.640 0.001 0.000 0.248 269 D C 0.085 176.417 176.300 0.054 0.000 1.273 269 D CA -0.170 53.828 54.000 -0.002 0.000 0.904 269 D CB -0.295 40.476 40.800 -0.048 0.000 1.089 269 D HN 0.277 nan 8.370 nan 0.000 0.478 270 L N 1.072 122.390 121.223 0.159 0.000 2.745 270 L HA -0.066 4.275 4.340 0.001 0.000 0.273 270 L C 1.164 178.216 176.870 0.304 0.000 1.156 270 L CA 0.507 55.479 54.840 0.220 0.000 0.982 270 L CB -0.084 42.120 42.059 0.242 0.000 1.295 270 L HN 0.280 nan 8.230 nan 0.000 0.483 271 E N 4.377 124.721 120.200 0.240 0.000 2.384 271 E HA 0.180 4.531 4.350 0.001 0.000 0.266 271 E C -0.809 175.964 176.600 0.289 0.000 1.012 271 E CA -0.500 56.055 56.400 0.258 0.000 0.901 271 E CB 0.737 30.555 29.700 0.195 0.000 0.967 271 E HN 0.469 nan 8.360 nan 0.000 0.435 272 L N 6.116 127.537 121.223 0.329 0.000 2.275 272 L HA 0.410 4.751 4.340 0.001 0.000 0.288 272 L C -0.164 176.721 176.870 0.025 0.000 1.046 272 L CA -0.589 54.315 54.840 0.106 0.000 0.805 272 L CB 1.036 43.134 42.059 0.065 0.000 1.193 272 L HN 0.524 nan 8.230 nan 0.000 0.426 273 I N 3.224 123.695 120.570 -0.164 0.000 2.378 273 I HA 0.376 4.547 4.170 0.001 0.000 0.291 273 I C -0.761 175.169 176.117 -0.312 0.000 0.992 273 I CA -0.304 60.926 61.300 -0.117 0.000 1.154 273 I CB 1.360 39.298 38.000 -0.104 0.000 1.315 273 I HN 0.339 nan 8.210 nan 0.000 0.448 274 F N 3.688 123.654 119.950 0.026 0.000 2.508 274 F HA 0.404 4.932 4.527 0.001 0.000 0.325 274 F C 0.455 176.226 175.800 -0.047 0.000 1.090 274 F CA -0.589 57.411 58.000 0.001 0.000 0.945 274 F CB 1.596 40.626 39.000 0.050 0.000 1.156 274 F HN 0.388 nan 8.300 nan 0.000 0.463 275 E N 3.104 123.360 120.200 0.093 0.000 3.588 275 E HA 0.198 4.549 4.350 0.001 0.000 0.213 275 E C -2.526 174.042 176.600 -0.054 0.000 1.168 275 E CA -1.832 54.565 56.400 -0.004 0.000 1.254 275 E CB 0.391 30.067 29.700 -0.040 0.000 1.302 275 E HN 0.203 nan 8.360 nan 0.000 0.429 276 P HA 0.068 nan 4.420 nan 0.000 0.271 276 P C 0.182 177.384 177.300 -0.164 0.000 1.216 276 P CA 0.205 63.145 63.100 -0.266 0.000 0.776 276 P CB 2.093 33.282 31.700 -0.852 0.000 0.881 277 G N 2.553 111.282 108.800 -0.117 0.000 2.451 277 G HA2 0.010 3.971 3.960 0.001 0.000 0.188 277 G HA3 0.010 3.971 3.960 0.001 0.000 0.188 277 G C 1.417 176.324 174.900 0.011 0.000 1.512 277 G CA -0.064 44.956 45.100 -0.133 0.000 0.679 277 G HN 0.402 nan 8.290 nan 0.000 0.640 278 R N 0.471 121.004 120.500 0.055 0.000 2.103 278 R HA -0.077 4.264 4.340 0.001 0.000 0.242 278 R C 2.740 179.074 176.300 0.057 0.000 1.142 278 R CA 1.803 57.965 56.100 0.103 0.000 0.960 278 R CB -0.342 30.061 30.300 0.172 0.000 0.858 278 R HN 0.328 nan 8.270 nan 0.000 0.439 279 A N 0.368 123.198 122.820 0.015 0.000 2.024 279 A HA -0.137 4.184 4.320 0.001 0.000 0.220 279 A C 2.017 179.558 177.584 -0.072 0.000 1.164 279 A CA 1.288 53.323 52.037 -0.003 0.000 0.643 279 A CB -0.309 18.744 19.000 0.088 0.000 0.806 279 A HN 0.346 nan 8.150 nan 0.000 0.451 280 I N -1.673 118.883 120.570 -0.024 0.000 2.628 280 I HA -0.034 4.137 4.170 0.001 0.000 0.255 280 I C 2.665 178.912 176.117 0.218 0.000 1.119 280 I CA 0.964 62.328 61.300 0.107 0.000 1.448 280 I CB -0.111 37.954 38.000 0.109 0.000 1.133 280 I HN 0.319 nan 8.210 nan 0.000 0.438 281 A N 0.354 123.276 122.820 0.171 0.000 2.063 281 A HA 0.309 4.630 4.320 0.001 0.000 0.211 281 A C 2.395 180.064 177.584 0.142 0.000 1.177 281 A CA 0.844 52.962 52.037 0.135 0.000 0.759 281 A CB -0.356 18.706 19.000 0.103 0.000 0.857 281 A HN 0.301 nan 8.150 nan 0.000 0.468 282 A N 1.287 124.188 122.820 0.134 0.000 1.859 282 A HA -0.233 4.088 4.320 0.001 0.000 0.217 282 A C 1.690 179.395 177.584 0.202 0.000 1.198 282 A CA 1.968 54.096 52.037 0.151 0.000 0.629 282 A CB -0.644 18.439 19.000 0.138 0.000 0.830 282 A HN 0.481 nan 8.150 nan 0.000 0.446 283 N N -0.029 118.819 118.700 0.246 0.000 2.521 283 N HA 0.117 4.858 4.740 0.001 0.000 0.188 283 N C 1.217 177.003 175.510 0.459 0.000 1.146 283 N CA 0.901 54.147 53.050 0.325 0.000 0.893 283 N CB -0.264 38.422 38.487 0.333 0.000 0.975 283 N HN 0.491 nan 8.380 nan 0.000 0.451 284 A N -0.187 122.889 122.820 0.426 0.000 2.238 284 A HA 0.398 4.719 4.320 0.001 0.000 0.208 284 A C 1.020 178.966 177.584 0.603 0.000 1.177 284 A CA 0.328 52.639 52.037 0.456 0.000 0.804 284 A CB -0.122 19.035 19.000 0.261 0.000 0.823 284 A HN 0.196 nan 8.150 nan 0.000 0.482 285 G N -0.878 108.203 108.800 0.469 0.000 2.620 285 G HA2 0.564 4.525 3.960 0.001 0.000 0.301 285 G HA3 0.564 4.525 3.960 0.001 0.000 0.301 285 G C -0.892 174.000 174.900 -0.013 0.000 1.347 285 G CA 0.107 45.467 45.100 0.434 0.000 0.971 285 G HN 0.925 nan 8.290 nan 0.000 0.488 286 V N -0.695 119.091 119.914 -0.213 0.000 2.962 286 V HA 0.865 4.986 4.120 0.001 0.000 0.313 286 V C -1.114 174.864 176.094 -0.194 0.000 1.099 286 V CA -1.320 60.786 62.300 -0.323 0.000 0.971 286 V CB 1.849 33.292 31.823 -0.633 0.000 1.028 286 V HN 0.785 nan 8.190 nan 0.000 0.430 287 L N 3.517 124.590 121.223 -0.250 0.000 2.280 287 L HA 0.731 5.072 4.340 0.001 0.000 0.287 287 L C -0.409 176.288 176.870 -0.287 0.000 1.023 287 L CA -0.131 54.456 54.840 -0.421 0.000 0.819 287 L CB 1.453 43.209 42.059 -0.506 0.000 1.212 287 L HN 0.678 nan 8.230 nan 0.000 0.420 288 V N 4.340 124.100 119.914 -0.256 0.000 2.465 288 V HA 0.616 4.737 4.120 0.001 0.000 0.279 288 V C 0.334 176.330 176.094 -0.162 0.000 1.045 288 V CA -0.253 61.942 62.300 -0.174 0.000 0.938 288 V CB 1.269 33.012 31.823 -0.133 0.000 0.986 288 V HN 0.877 nan 8.190 nan 0.000 0.467 289 T N 4.529 119.004 114.554 -0.132 0.000 2.900 289 T HA 0.473 4.823 4.350 0.001 0.000 0.303 289 T C -0.985 173.655 174.700 -0.099 0.000 1.142 289 T CA -0.735 61.294 62.100 -0.117 0.000 1.007 289 T CB 1.731 70.528 68.868 -0.119 0.000 1.156 289 T HN 0.746 nan 8.240 nan 0.000 0.490 290 K N 2.877 123.217 120.400 -0.100 0.000 2.164 290 K HA 0.670 4.991 4.320 0.001 0.000 0.258 290 K C -0.930 175.597 176.600 -0.122 0.000 0.951 290 K CA -0.716 55.509 56.287 -0.102 0.000 0.844 290 K CB 1.434 33.873 32.500 -0.101 0.000 1.099 290 K HN 0.433 nan 8.250 nan 0.000 0.435 291 V N 5.107 124.948 119.914 -0.121 0.000 2.455 291 V HA 0.025 4.146 4.120 0.001 0.000 0.273 291 V C 0.955 176.936 176.094 -0.188 0.000 1.045 291 V CA -0.011 62.206 62.300 -0.138 0.000 0.976 291 V CB 1.080 32.829 31.823 -0.124 0.000 0.993 291 V HN 0.884 nan 8.190 nan 0.000 0.475 292 E N 3.617 123.641 120.200 -0.293 0.000 2.045 292 E HA 0.133 4.484 4.350 0.001 0.000 0.190 292 E C -0.285 175.943 176.600 -0.619 0.000 0.968 292 E CA 1.170 57.211 56.400 -0.598 0.000 0.813 292 E CB 0.258 29.410 29.700 -0.913 0.000 0.780 292 E HN 0.569 nan 8.360 nan 0.000 0.455 293 F N -0.356 119.586 119.950 -0.013 0.000 2.613 293 F HA 0.441 4.969 4.527 0.001 0.000 0.310 293 F C -0.309 175.487 175.800 -0.007 0.000 1.085 293 F CA -0.858 57.141 58.000 -0.002 0.000 0.945 293 F CB 1.182 40.185 39.000 0.004 0.000 1.298 293 F HN -0.246 nan 8.300 nan 0.000 0.455 294 L N 2.322 123.669 121.223 0.207 0.000 2.322 294 L HA 0.615 4.956 4.340 0.001 0.000 0.281 294 L C -0.564 176.313 176.870 0.012 0.000 1.014 294 L CA -0.668 54.225 54.840 0.088 0.000 0.815 294 L CB 2.119 44.248 42.059 0.116 0.000 1.247 294 L HN 0.598 nan 8.230 nan 0.000 0.421 295 K N 2.053 122.402 120.400 -0.085 0.000 2.371 295 K HA 0.532 4.853 4.320 0.001 0.000 0.251 295 K C -1.400 175.041 176.600 -0.264 0.000 0.934 295 K CA -0.675 55.570 56.287 -0.070 0.000 0.798 295 K CB 1.435 33.995 32.500 0.101 0.000 1.204 295 K HN 0.522 nan 8.250 nan 0.000 0.427 296 H N 1.427 120.599 119.070 0.170 0.000 2.589 296 H HA 0.260 4.817 4.556 0.002 0.000 0.351 296 H C -0.369 175.016 175.328 0.094 0.000 1.074 296 H CA -0.659 55.454 56.048 0.107 0.000 1.203 296 H CB 1.991 31.783 29.762 0.051 0.000 1.558 296 H HN 0.824 nan 8.280 nan 0.000 0.522 297 T N -1.632 113.031 114.554 0.181 0.000 2.919 297 T HA 0.161 4.512 4.350 0.001 0.000 0.282 297 T C 1.252 175.954 174.700 0.003 0.000 1.020 297 T CA -0.844 61.323 62.100 0.112 0.000 0.994 297 T CB 2.203 71.177 68.868 0.177 0.000 1.180 297 T HN 0.636 nan 8.240 nan 0.000 0.566 298 E N -0.195 119.941 120.200 -0.107 0.000 2.070 298 E HA -0.246 4.104 4.350 0.001 0.000 0.197 298 E C 1.171 177.536 176.600 -0.391 0.000 1.004 298 E CA 1.862 58.071 56.400 -0.318 0.000 0.805 298 E CB -0.144 29.232 29.700 -0.541 0.000 0.744 298 E HN 0.837 nan 8.360 nan 0.000 0.451 299 H N -1.882 117.194 119.070 0.011 0.000 3.058 299 H HA 0.339 4.896 4.556 0.001 0.000 0.266 299 H C -0.321 174.969 175.328 -0.062 0.000 1.135 299 H CA -0.343 55.693 56.048 -0.020 0.000 1.174 299 H CB 0.873 30.628 29.762 -0.013 0.000 1.581 299 H HN -0.154 nan 8.280 nan 0.000 0.553 300 K N 0.846 121.243 120.400 -0.005 0.000 2.433 300 K HA 0.400 4.720 4.320 0.001 0.000 0.252 300 K C -0.870 175.569 176.600 -0.267 0.000 1.015 300 K CA -1.093 55.079 56.287 -0.192 0.000 0.860 300 K CB 2.114 34.428 32.500 -0.309 0.000 1.359 300 K HN 0.024 nan 8.250 nan 0.000 0.452 301 N N 1.128 119.530 118.700 -0.498 0.000 2.249 301 N HA 0.452 5.193 4.740 0.001 0.000 0.296 301 N C -1.485 173.718 175.510 -0.512 0.000 1.051 301 N CA -0.449 52.356 53.050 -0.409 0.000 0.815 301 N CB 1.450 39.625 38.487 -0.520 0.000 1.487 301 N HN 0.293 nan 8.380 nan 0.000 0.475 302 F N 0.636 120.646 119.950 0.100 0.000 2.520 302 F HA 0.604 5.132 4.527 0.002 0.000 0.322 302 F C 0.194 176.075 175.800 0.136 0.000 1.103 302 F CA -0.960 57.127 58.000 0.145 0.000 0.926 302 F CB 1.828 40.863 39.000 0.059 0.000 1.154 302 F HN 0.407 nan 8.300 nan 0.000 0.453 303 A N 4.552 127.514 122.820 0.236 0.000 2.267 303 A HA 0.690 5.011 4.320 0.001 0.000 0.315 303 A C -0.754 176.873 177.584 0.072 0.000 1.297 303 A CA -0.580 51.463 52.037 0.011 0.000 0.865 303 A CB 0.100 18.942 19.000 -0.264 0.000 1.165 303 A HN 0.566 nan 8.150 nan 0.000 0.513 304 I N 4.834 125.451 120.570 0.079 0.000 2.379 304 I HA 0.203 4.374 4.170 0.001 0.000 0.290 304 I C 0.474 176.564 176.117 -0.044 0.000 1.063 304 I CA 0.126 61.460 61.300 0.057 0.000 1.351 304 I CB -0.145 37.933 38.000 0.129 0.000 1.410 304 I HN 0.645 nan 8.210 nan 0.000 0.505 305 I N 3.338 123.885 120.570 -0.037 0.000 2.947 305 I HA 0.499 4.670 4.170 0.001 0.000 0.314 305 I C 0.879 176.947 176.117 -0.082 0.000 1.028 305 I CA -0.739 60.515 61.300 -0.078 0.000 1.077 305 I CB 1.469 39.431 38.000 -0.062 0.000 1.274 305 I HN 0.453 nan 8.210 nan 0.000 0.485 306 D N 1.991 122.332 120.400 -0.098 0.000 2.349 306 D HA 0.119 4.760 4.640 0.001 0.000 0.215 306 D C 0.592 176.855 176.300 -0.062 0.000 1.016 306 D CA 0.056 54.004 54.000 -0.086 0.000 0.870 306 D CB 0.018 40.759 40.800 -0.098 0.000 0.917 306 D HN 0.651 nan 8.370 nan 0.000 0.524 307 A N 0.113 122.894 122.820 -0.065 0.000 2.301 307 A HA 0.694 5.015 4.320 0.001 0.000 0.298 307 A C 0.127 177.690 177.584 -0.035 0.000 1.185 307 A CA -0.213 51.789 52.037 -0.059 0.000 0.830 307 A CB 0.852 19.795 19.000 -0.094 0.000 1.112 307 A HN 0.349 nan 8.150 nan 0.000 0.508 308 A N 2.357 125.167 122.820 -0.017 0.000 2.312 308 A HA 0.611 4.932 4.320 0.001 0.000 0.310 308 A C 1.176 178.759 177.584 -0.003 0.000 1.139 308 A CA -0.160 51.877 52.037 -0.000 0.000 0.886 308 A CB 0.444 19.454 19.000 0.018 0.000 1.350 308 A HN 1.334 nan 8.150 nan 0.000 0.479 309 M N 0.602 120.203 119.600 0.002 0.000 2.260 309 M HA -0.171 4.310 4.480 0.001 0.000 0.261 309 M C 1.349 177.655 176.300 0.010 0.000 1.066 309 M CA 2.425 57.711 55.300 -0.023 0.000 1.082 309 M CB -0.908 31.675 32.600 -0.029 0.000 1.388 309 M HN 0.776 nan 8.290 nan 0.000 0.419 310 N N 0.377 119.115 118.700 0.063 0.000 2.459 310 N HA -0.162 4.579 4.740 0.001 0.000 0.181 310 N C 0.632 176.158 175.510 0.026 0.000 1.046 310 N CA 1.400 54.486 53.050 0.060 0.000 0.904 310 N CB -0.451 38.100 38.487 0.107 0.000 0.964 310 N HN 0.519 nan 8.380 nan 0.000 0.444 311 D N 0.201 120.625 120.400 0.041 0.000 2.262 311 D HA 0.084 4.725 4.640 0.001 0.000 0.212 311 D C 0.069 176.463 176.300 0.156 0.000 0.964 311 D CA 0.330 54.384 54.000 0.091 0.000 0.875 311 D CB 0.579 41.411 40.800 0.054 0.000 0.996 311 D HN 0.222 nan 8.370 nan 0.000 0.497 312 L N 0.764 122.035 121.223 0.080 0.000 2.596 312 L HA 0.325 4.666 4.340 0.001 0.000 0.265 312 L C -0.387 176.488 176.870 0.009 0.000 0.962 312 L CA -0.231 54.670 54.840 0.102 0.000 0.891 312 L CB 2.019 44.126 42.059 0.079 0.000 1.248 312 L HN -0.167 nan 8.230 nan 0.000 0.410 313 I N 3.034 123.609 120.570 0.008 0.000 3.854 313 I HA 0.130 4.301 4.170 0.001 0.000 0.312 313 I C 1.777 177.843 176.117 -0.085 0.000 1.273 313 I CA 0.133 61.391 61.300 -0.070 0.000 1.298 313 I CB 0.144 38.094 38.000 -0.084 0.000 1.071 313 I HN 0.804 nan 8.210 nan 0.000 0.428 314 R N 1.512 122.032 120.500 0.033 0.000 2.112 314 R HA -0.192 4.149 4.340 0.001 0.000 0.242 314 R C -0.617 175.722 176.300 0.065 0.000 1.137 314 R CA 2.213 58.400 56.100 0.145 0.000 0.944 314 R CB -1.854 28.582 30.300 0.226 0.000 0.857 314 R HN 0.357 nan 8.270 nan 0.000 0.435 315 P HA -0.118 nan 4.420 nan 0.000 0.217 315 P C 0.792 177.939 177.300 -0.255 0.000 1.150 315 P CA 1.771 64.815 63.100 -0.094 0.000 0.832 315 P CB 0.024 31.609 31.700 -0.192 0.000 0.787 316 A N -0.807 121.762 122.820 -0.418 0.000 1.854 316 A HA -0.115 4.206 4.320 0.001 0.000 0.214 316 A C 2.098 179.569 177.584 -0.189 0.000 1.192 316 A CA 1.241 53.038 52.037 -0.399 0.000 0.611 316 A CB -1.623 17.150 19.000 -0.378 0.000 0.832 316 A HN 0.126 nan 8.150 nan 0.000 0.442 317 L N -1.205 119.867 121.223 -0.252 0.000 1.961 317 L HA -0.012 4.329 4.340 0.001 0.000 0.210 317 L C 1.281 177.944 176.870 -0.345 0.000 1.072 317 L CA 1.545 56.154 54.840 -0.383 0.000 0.749 317 L CB -0.883 40.777 42.059 -0.664 0.000 0.889 317 L HN 0.435 nan 8.230 nan 0.000 0.432 318 Y N -0.880 119.416 120.300 -0.007 0.000 2.540 318 Y HA 0.395 4.945 4.550 0.001 0.000 0.371 318 Y C 0.842 176.776 175.900 0.057 0.000 1.337 318 Y CA -0.693 57.418 58.100 0.018 0.000 1.590 318 Y CB -0.161 38.303 38.460 0.006 0.000 1.676 318 Y HN 0.012 nan 8.280 nan 0.000 0.614 319 Q N 0.297 120.263 119.800 0.277 0.000 2.233 319 Q HA 0.423 4.763 4.340 0.001 0.000 0.340 319 Q C -0.651 175.492 176.000 0.237 0.000 0.899 319 Q CA -0.441 55.500 55.803 0.230 0.000 1.139 319 Q CB 0.688 29.541 28.738 0.192 0.000 1.273 319 Q HN 0.585 nan 8.270 nan 0.000 0.431 320 A N 0.593 123.553 122.820 0.234 0.000 2.440 320 A HA 0.286 4.607 4.320 0.001 0.000 0.251 320 A C -0.897 176.841 177.584 0.256 0.000 1.089 320 A CA -0.139 52.032 52.037 0.223 0.000 0.779 320 A CB 0.234 19.348 19.000 0.190 0.000 1.022 320 A HN 0.523 nan 8.150 nan 0.000 0.492 321 W N 2.456 123.820 121.300 0.106 0.000 2.329 321 W HA 0.499 5.160 4.660 0.001 0.000 0.312 321 W C -0.370 176.205 176.519 0.093 0.000 1.054 321 W CA -0.113 57.294 57.345 0.104 0.000 1.245 321 W CB 0.939 30.452 29.460 0.089 0.000 1.255 321 W HN 0.709 nan 8.180 nan 0.000 0.436 322 Q N 4.184 123.803 119.800 -0.301 0.000 2.340 322 Q HA 0.133 4.474 4.340 0.001 0.000 0.268 322 Q C -0.944 174.669 176.000 -0.646 0.000 1.031 322 Q CA -1.098 54.561 55.803 -0.240 0.000 0.804 322 Q CB 2.237 30.913 28.738 -0.103 0.000 1.286 322 Q HN 0.326 nan 8.270 nan 0.000 0.448 323 D N 2.183 122.361 120.400 -0.371 0.000 2.455 323 D HA 0.141 4.782 4.640 0.001 0.000 0.241 323 D C -0.969 175.208 176.300 -0.204 0.000 1.138 323 D CA 0.398 54.217 54.000 -0.302 0.000 0.877 323 D CB 0.549 41.409 40.800 0.100 0.000 1.187 323 D HN 0.368 nan 8.370 nan 0.000 0.451 324 I N 5.173 125.636 120.570 -0.179 0.000 2.418 324 I HA 0.332 4.503 4.170 0.001 0.000 0.287 324 I C -0.090 176.021 176.117 -0.011 0.000 1.008 324 I CA -0.820 60.419 61.300 -0.101 0.000 1.104 324 I CB 1.148 39.076 38.000 -0.121 0.000 1.264 324 I HN 0.311 nan 8.210 nan 0.000 0.438 325 I N 4.664 125.244 120.570 0.016 0.000 2.828 325 I HA 0.712 4.883 4.170 0.001 0.000 0.302 325 I C -2.835 173.339 176.117 0.096 0.000 1.101 325 I CA -2.619 58.738 61.300 0.095 0.000 1.031 325 I CB 2.513 40.618 38.000 0.174 0.000 1.231 325 I HN 0.155 nan 8.210 nan 0.000 0.427 326 P HA 0.193 nan 4.420 nan 0.000 0.275 326 P C 0.340 177.766 177.300 0.211 0.000 1.227 326 P CA -0.379 62.797 63.100 0.127 0.000 0.781 326 P CB 1.308 33.071 31.700 0.106 0.000 0.906 327 L N 1.796 123.092 121.223 0.121 0.000 2.131 327 L HA -0.029 4.312 4.340 0.001 0.000 0.210 327 L C 1.528 178.538 176.870 0.234 0.000 1.092 327 L CA 1.759 56.678 54.840 0.131 0.000 0.759 327 L CB -0.689 41.392 42.059 0.036 0.000 0.903 327 L HN 0.469 nan 8.230 nan 0.000 0.435 328 R N -0.225 120.377 120.500 0.171 0.000 2.576 328 R HA 0.299 4.639 4.340 0.001 0.000 0.283 328 R C -2.558 173.793 176.300 0.084 0.000 1.493 328 R CA -1.660 54.527 56.100 0.144 0.000 1.170 328 R CB 1.123 31.478 30.300 0.092 0.000 1.189 328 R HN -0.115 nan 8.270 nan 0.000 0.542 329 P HA 0.065 nan 4.420 nan 0.000 0.268 329 P C -0.769 176.531 177.300 -0.001 0.000 1.204 329 P CA 0.062 63.158 63.100 -0.007 0.000 0.768 329 P CB 0.646 32.275 31.700 -0.120 0.000 0.842 330 R N 2.065 122.573 120.500 0.013 0.000 2.598 330 R HA 0.361 4.702 4.340 0.001 0.000 0.279 330 R C 0.267 176.575 176.300 0.014 0.000 0.984 330 R CA -0.863 55.248 56.100 0.018 0.000 0.999 330 R CB 0.847 31.165 30.300 0.029 0.000 1.114 330 R HN 0.456 nan 8.270 nan 0.000 0.493 331 Q N 0.533 120.342 119.800 0.014 0.000 2.260 331 Q HA 0.547 4.888 4.340 0.001 0.000 0.242 331 Q C 0.447 176.460 176.000 0.022 0.000 0.932 331 Q CA -0.187 55.624 55.803 0.013 0.000 0.891 331 Q CB 1.819 30.563 28.738 0.010 0.000 1.222 331 Q HN 0.905 nan 8.270 nan 0.000 0.453 332 G N 0.544 109.357 108.800 0.021 0.000 2.343 332 G HA2 -0.118 3.843 3.960 0.001 0.000 0.465 332 G HA3 -0.118 3.843 3.960 0.001 0.000 0.465 332 G C -1.384 173.534 174.900 0.029 0.000 1.282 332 G CA -0.877 44.239 45.100 0.025 0.000 0.996 332 G HN 0.552 nan 8.290 nan 0.000 0.521 333 E N 0.129 120.346 120.200 0.028 0.000 2.316 333 E HA 0.544 4.895 4.350 0.001 0.000 0.275 333 E C 0.737 177.363 176.600 0.043 0.000 1.029 333 E CA 0.092 56.508 56.400 0.028 0.000 0.871 333 E CB 0.803 30.513 29.700 0.016 0.000 1.022 333 E HN 1.061 nan 8.360 nan 0.000 0.418 334 A N 4.513 127.361 122.820 0.046 0.000 2.322 334 A HA 0.266 4.587 4.320 0.001 0.000 0.269 334 A C -0.377 177.231 177.584 0.039 0.000 1.094 334 A CA -0.361 51.719 52.037 0.071 0.000 0.807 334 A CB 0.743 19.787 19.000 0.074 0.000 1.047 334 A HN 0.743 nan 8.150 nan 0.000 0.487 335 Q N -0.066 119.757 119.800 0.039 0.000 2.351 335 Q HA 0.491 4.832 4.340 0.001 0.000 0.273 335 Q C -0.977 174.894 176.000 -0.215 0.000 1.077 335 Q CA -0.744 54.977 55.803 -0.137 0.000 0.843 335 Q CB 1.933 30.512 28.738 -0.265 0.000 1.367 335 Q HN 0.677 nan 8.270 nan 0.000 0.449 336 T N 1.773 116.156 114.554 -0.284 0.000 2.771 336 T HA 0.442 4.793 4.350 0.001 0.000 0.291 336 T C -1.101 173.372 174.700 -0.377 0.000 0.954 336 T CA -0.102 61.881 62.100 -0.194 0.000 1.045 336 T CB 0.014 68.814 68.868 -0.114 0.000 0.917 336 T HN 0.253 nan 8.240 nan 0.000 0.484 337 Y N 0.856 121.127 120.300 -0.049 0.000 2.499 337 Y HA 0.429 4.980 4.550 0.001 0.000 0.347 337 Y C 0.043 175.892 175.900 -0.086 0.000 0.987 337 Y CA -1.343 56.700 58.100 -0.096 0.000 1.044 337 Y CB 1.521 39.958 38.460 -0.038 0.000 1.245 337 Y HN 0.480 nan 8.280 nan 0.000 0.461 338 D N 2.202 122.628 120.400 0.042 0.000 2.198 338 D HA 0.338 4.979 4.640 0.001 0.000 0.245 338 D C -0.948 175.475 176.300 0.205 0.000 1.079 338 D CA -0.290 53.765 54.000 0.092 0.000 0.854 338 D CB 1.338 42.193 40.800 0.091 0.000 1.148 338 D HN 0.207 nan 8.370 nan 0.000 0.456 339 L N 3.121 124.448 121.223 0.174 0.000 2.257 339 L HA 0.371 4.712 4.340 0.001 0.000 0.290 339 L C 0.113 177.104 176.870 0.202 0.000 1.044 339 L CA -0.790 54.136 54.840 0.143 0.000 0.810 339 L CB 0.505 42.604 42.059 0.068 0.000 1.193 339 L HN 0.164 nan 8.230 nan 0.000 0.425 340 V N 0.308 120.337 119.914 0.191 0.000 2.769 340 V HA 0.969 5.090 4.120 0.001 0.000 0.312 340 V C 0.499 176.658 176.094 0.108 0.000 1.061 340 V CA -0.678 61.738 62.300 0.193 0.000 0.931 340 V CB 1.407 33.343 31.823 0.189 0.000 1.010 340 V HN 0.713 nan 8.190 nan 0.000 0.433 341 G N 2.276 111.133 108.800 0.094 0.000 2.621 341 G HA2 0.552 4.513 3.960 0.001 0.000 0.271 341 G HA3 0.552 4.513 3.960 0.001 0.000 0.271 341 G C -1.564 173.358 174.900 0.036 0.000 1.236 341 G CA -0.691 44.435 45.100 0.044 0.000 0.958 341 G HN 0.725 nan 8.290 nan 0.000 0.512 342 P HA 0.088 nan 4.420 nan 0.000 0.261 342 P C 1.173 178.483 177.300 0.017 0.000 1.268 342 P CA 0.195 63.303 63.100 0.014 0.000 0.833 342 P CB 0.248 31.940 31.700 -0.013 0.000 1.231 343 V N -1.731 118.191 119.914 0.012 0.000 6.766 343 V HA 0.396 4.517 4.120 0.001 0.000 0.251 343 V C 0.561 176.660 176.094 0.009 0.000 1.654 343 V CA 0.077 62.374 62.300 -0.004 0.000 0.631 343 V CB -0.543 31.259 31.823 -0.034 0.000 1.566 343 V HN -0.055 nan 8.190 nan 0.000 0.354 344 C N 1.416 120.725 119.300 0.014 0.000 3.246 344 C HA 0.637 5.098 4.460 0.001 0.000 0.204 344 C C -0.448 174.575 174.990 0.056 0.000 1.879 344 C CA -0.468 58.564 59.018 0.023 0.000 1.318 344 C CB -1.528 26.216 27.740 0.007 0.000 2.288 344 C HN 0.739 nan 8.230 nan 0.000 0.530 345 E N -0.091 120.156 120.200 0.078 0.000 2.288 345 E HA 0.359 4.710 4.350 0.001 0.000 0.268 345 E C 0.440 177.101 176.600 0.101 0.000 0.885 345 E CA -0.323 56.138 56.400 0.100 0.000 0.767 345 E CB 1.664 31.448 29.700 0.139 0.000 1.220 345 E HN 0.117 nan 8.360 nan 0.000 0.427 346 T N 0.118 114.731 114.554 0.098 0.000 2.867 346 T HA -0.114 4.237 4.350 0.001 0.000 0.268 346 T C 1.479 176.317 174.700 0.229 0.000 1.057 346 T CA 1.620 63.790 62.100 0.116 0.000 1.136 346 T CB 0.005 68.923 68.868 0.084 0.000 0.874 346 T HN 0.480 nan 8.240 nan 0.000 0.466 347 S N 1.011 116.843 115.700 0.220 0.000 2.671 347 S HA 0.074 4.545 4.470 0.001 0.000 0.220 347 S C 0.366 175.038 174.600 0.120 0.000 0.951 347 S CA -0.303 58.068 58.200 0.286 0.000 0.932 347 S CB -0.282 62.981 63.200 0.106 0.000 0.777 347 S HN 0.237 nan 8.310 nan 0.000 0.508 348 D N 1.834 122.343 120.400 0.181 0.000 2.558 348 D HA 0.383 5.023 4.640 0.001 0.000 0.221 348 D C -0.549 175.864 176.300 0.188 0.000 1.143 348 D CA -0.547 53.508 54.000 0.092 0.000 1.010 348 D CB -0.734 40.125 40.800 0.098 0.000 1.068 348 D HN 0.470 nan 8.370 nan 0.000 0.511 349 F N -0.327 119.645 119.950 0.036 0.000 2.654 349 F HA 0.414 4.942 4.527 0.002 0.000 0.308 349 F C -0.502 175.310 175.800 0.020 0.000 1.108 349 F CA -1.068 56.956 58.000 0.039 0.000 0.957 349 F CB 0.966 40.004 39.000 0.063 0.000 1.309 349 F HN -0.116 nan 8.300 nan 0.000 0.446 350 L N 1.252 122.569 121.223 0.156 0.000 2.575 350 L HA 0.598 4.939 4.340 0.001 0.000 0.228 350 L C 0.633 177.572 176.870 0.116 0.000 1.075 350 L CA 0.431 55.289 54.840 0.030 0.000 0.867 350 L CB 0.840 42.885 42.059 -0.024 0.000 1.097 350 L HN 0.991 nan 8.230 nan 0.000 0.485 351 G N 0.104 109.052 108.800 0.246 0.000 2.667 351 G HA2 0.417 4.378 3.960 0.001 0.000 0.294 351 G HA3 0.417 4.378 3.960 0.001 0.000 0.294 351 G C -1.642 173.339 174.900 0.136 0.000 1.467 351 G CA -0.525 44.654 45.100 0.130 0.000 0.852 351 G HN -0.204 nan 8.290 nan 0.000 0.521 352 K N 0.690 121.142 120.400 0.087 0.000 2.328 352 K HA 0.500 4.821 4.320 0.001 0.000 0.246 352 K C -0.952 175.699 176.600 0.085 0.000 0.955 352 K CA -0.905 55.410 56.287 0.047 0.000 0.817 352 K CB 2.005 34.486 32.500 -0.032 0.000 1.208 352 K HN 0.485 nan 8.250 nan 0.000 0.432 353 D N 2.071 122.503 120.400 0.054 0.000 2.697 353 D HA -0.154 4.487 4.640 0.001 0.000 0.238 353 D C -0.788 175.580 176.300 0.113 0.000 1.152 353 D CA 0.987 55.025 54.000 0.063 0.000 0.666 353 D CB -0.400 40.440 40.800 0.067 0.000 1.037 353 D HN 0.317 nan 8.370 nan 0.000 0.423 354 R N 1.204 121.775 120.500 0.120 0.000 2.295 354 R HA 0.315 4.655 4.340 0.001 0.000 0.324 354 R C -0.214 176.184 176.300 0.163 0.000 0.968 354 R CA -0.696 55.490 56.100 0.144 0.000 0.837 354 R CB 0.856 31.224 30.300 0.112 0.000 1.133 354 R HN -0.078 nan 8.270 nan 0.000 0.450 355 D N 3.926 124.410 120.400 0.140 0.000 2.336 355 D HA 0.348 4.989 4.640 0.001 0.000 0.249 355 D C 0.088 176.483 176.300 0.159 0.000 1.213 355 D CA 0.129 54.207 54.000 0.129 0.000 0.870 355 D CB 0.781 41.634 40.800 0.088 0.000 1.076 355 D HN 0.247 nan 8.370 nan 0.000 0.483 356 L N 1.000 122.364 121.223 0.234 0.000 2.415 356 L HA 0.496 4.837 4.340 0.001 0.000 0.256 356 L C -0.687 176.322 176.870 0.233 0.000 1.010 356 L CA -1.235 53.725 54.840 0.200 0.000 0.826 356 L CB 2.346 44.496 42.059 0.151 0.000 1.405 356 L HN -0.058 nan 8.230 nan 0.000 0.410 357 V N 3.247 123.244 119.914 0.138 0.000 2.275 357 V HA 0.440 4.561 4.120 0.001 0.000 0.272 357 V C -0.182 175.961 176.094 0.081 0.000 1.028 357 V CA -0.224 62.151 62.300 0.126 0.000 0.810 357 V CB 0.913 32.783 31.823 0.080 0.000 1.043 357 V HN 0.412 nan 8.190 nan 0.000 0.453 358 L N 4.349 125.625 121.223 0.088 0.000 2.342 358 L HA 0.681 5.022 4.340 0.001 0.000 0.271 358 L C -0.262 176.629 176.870 0.034 0.000 1.008 358 L CA -0.562 54.273 54.840 -0.009 0.000 0.818 358 L CB 2.259 44.187 42.059 -0.219 0.000 1.296 358 L HN 0.516 nan 8.230 nan 0.000 0.427 359 Q N 0.768 120.574 119.800 0.010 0.000 2.413 359 Q HA 0.373 4.713 4.340 0.001 0.000 0.276 359 Q C -1.231 174.772 176.000 0.006 0.000 1.099 359 Q CA -0.936 54.886 55.803 0.031 0.000 0.814 359 Q CB 2.947 31.705 28.738 0.034 0.000 1.379 359 Q HN 0.485 nan 8.270 nan 0.000 0.436 360 E N -0.139 120.078 120.200 0.029 0.000 2.414 360 E HA 0.177 4.528 4.350 0.001 0.000 0.263 360 E C 0.572 177.166 176.600 -0.011 0.000 1.000 360 E CA 1.019 57.426 56.400 0.013 0.000 0.914 360 E CB 0.325 30.065 29.700 0.068 0.000 0.948 360 E HN 0.897 nan 8.360 nan 0.000 0.444 361 G N 3.036 111.807 108.800 -0.048 0.000 2.213 361 G HA2 -0.218 3.743 3.960 0.001 0.000 0.236 361 G HA3 -0.218 3.743 3.960 0.001 0.000 0.236 361 G C -0.122 174.749 174.900 -0.049 0.000 0.991 361 G CA -0.129 44.939 45.100 -0.052 0.000 0.629 361 G HN 0.568 nan 8.290 nan 0.000 0.517 362 D N 0.721 121.094 120.400 -0.046 0.000 2.443 362 D HA 0.462 5.103 4.640 0.001 0.000 0.239 362 D C 1.012 177.281 176.300 -0.053 0.000 1.136 362 D CA 0.274 54.250 54.000 -0.040 0.000 0.879 362 D CB 0.716 41.494 40.800 -0.037 0.000 1.195 362 D HN 0.349 nan 8.370 nan 0.000 0.443 363 L N 2.335 123.534 121.223 -0.040 0.000 2.322 363 L HA 0.485 4.826 4.340 0.001 0.000 0.279 363 L C -0.092 176.755 176.870 -0.038 0.000 1.036 363 L CA -0.711 54.100 54.840 -0.048 0.000 0.807 363 L CB 0.818 42.849 42.059 -0.046 0.000 1.226 363 L HN 0.111 nan 8.230 nan 0.000 0.433 364 L N 2.074 123.263 121.223 -0.056 0.000 2.354 364 L HA 0.820 5.161 4.340 0.001 0.000 0.264 364 L C -0.389 176.436 176.870 -0.075 0.000 1.008 364 L CA -0.725 54.084 54.840 -0.051 0.000 0.819 364 L CB 2.147 44.168 42.059 -0.063 0.000 1.339 364 L HN 0.655 nan 8.230 nan 0.000 0.420 365 A N 1.563 124.339 122.820 -0.072 0.000 2.331 365 A HA 0.742 5.063 4.320 0.001 0.000 0.320 365 A C -0.860 176.652 177.584 -0.120 0.000 1.138 365 A CA -0.499 51.467 52.037 -0.119 0.000 0.790 365 A CB 1.565 20.483 19.000 -0.137 0.000 1.206 365 A HN 0.361 nan 8.150 nan 0.000 0.470 366 V N 4.292 124.118 119.914 -0.147 0.000 2.333 366 V HA 0.264 4.385 4.120 0.001 0.000 0.274 366 V C 0.628 176.647 176.094 -0.125 0.000 1.028 366 V CA -0.436 61.786 62.300 -0.129 0.000 0.851 366 V CB 0.555 32.304 31.823 -0.123 0.000 1.000 366 V HN 0.966 nan 8.190 nan 0.000 0.456 367 R N 2.677 123.119 120.500 -0.096 0.000 2.707 367 R HA 0.343 4.684 4.340 0.001 0.000 0.270 367 R C 0.841 177.144 176.300 0.005 0.000 1.083 367 R CA 0.045 56.105 56.100 -0.067 0.000 1.182 367 R CB 0.262 30.564 30.300 0.003 0.000 1.084 367 R HN 0.783 nan 8.270 nan 0.000 0.528 368 S N -0.201 115.531 115.700 0.053 0.000 3.682 368 S HA -0.128 4.342 4.470 0.001 0.000 0.354 368 S C 0.124 174.805 174.600 0.136 0.000 1.034 368 S CA 0.933 59.204 58.200 0.118 0.000 1.084 368 S CB -1.057 62.224 63.200 0.135 0.000 0.903 368 S HN 0.714 nan 8.310 nan 0.000 0.470 369 S N -0.567 115.219 115.700 0.144 0.000 2.568 369 S HA 0.311 4.782 4.470 0.001 0.000 0.232 369 S C 1.793 176.597 174.600 0.341 0.000 0.975 369 S CA 0.078 58.426 58.200 0.248 0.000 0.949 369 S CB 0.743 64.083 63.200 0.234 0.000 0.829 369 S HN 0.797 nan 8.310 nan 0.000 0.479 370 G N 1.057 110.010 108.800 0.256 0.000 2.712 370 G HA2 0.448 4.409 3.960 0.001 0.000 0.212 370 G HA3 0.448 4.409 3.960 0.001 0.000 0.212 370 G C 0.298 175.214 174.900 0.027 0.000 1.142 370 G CA 0.402 45.621 45.100 0.199 0.000 0.789 370 G HN 0.557 nan 8.290 nan 0.000 0.535 371 A N -1.002 121.850 122.820 0.053 0.000 2.386 371 A HA 0.623 4.944 4.320 0.001 0.000 0.311 371 A C -0.169 177.419 177.584 0.007 0.000 1.068 371 A CA -0.847 51.130 52.037 -0.099 0.000 0.743 371 A CB 0.636 19.611 19.000 -0.042 0.000 1.258 371 A HN 0.616 nan 8.150 nan 0.000 0.429 372 Y N 0.028 120.363 120.300 0.059 0.000 3.491 372 Y HA -0.310 4.241 4.550 0.001 0.000 0.215 372 Y C 1.372 177.333 175.900 0.101 0.000 1.219 372 Y CA 1.211 59.356 58.100 0.074 0.000 1.485 372 Y CB -1.554 36.957 38.460 0.086 0.000 1.450 372 Y HN 1.014 nan 8.280 nan 0.000 0.603 373 G N -0.911 107.970 108.800 0.135 0.000 2.529 373 G HA2 0.074 4.035 3.960 0.001 0.000 0.220 373 G HA3 0.074 4.035 3.960 0.001 0.000 0.220 373 G C 0.854 175.773 174.900 0.030 0.000 1.976 373 G CA 0.262 45.475 45.100 0.188 0.000 0.789 373 G HN 0.295 nan 8.290 nan 0.000 0.695 374 F N 1.710 121.378 119.950 -0.470 0.000 2.202 374 F HA -0.047 4.481 4.527 0.002 0.000 0.301 374 F C 2.885 178.606 175.800 -0.133 0.000 1.082 374 F CA 2.061 59.825 58.000 -0.394 0.000 1.313 374 F CB -0.141 38.513 39.000 -0.576 0.000 1.024 374 F HN 0.232 nan 8.300 nan 0.000 0.495 375 T N -0.085 114.448 114.554 -0.034 0.000 2.778 375 T HA -0.232 4.119 4.350 0.001 0.000 0.269 375 T C 1.657 176.314 174.700 -0.072 0.000 1.050 375 T CA 1.788 63.867 62.100 -0.034 0.000 1.137 375 T CB -0.231 68.614 68.868 -0.037 0.000 0.860 375 T HN 0.323 nan 8.240 nan 0.000 0.468 376 M N 0.886 120.454 119.600 -0.054 0.000 2.383 376 M HA 0.260 4.741 4.480 0.001 0.000 0.247 376 M C 0.784 177.017 176.300 -0.112 0.000 1.117 376 M CA -0.246 55.032 55.300 -0.037 0.000 0.995 376 M CB 0.473 33.105 32.600 0.054 0.000 1.480 376 M HN 0.062 nan 8.290 nan 0.000 0.485 377 S N 1.251 116.799 115.700 -0.254 0.000 2.564 377 S HA 0.298 4.769 4.470 0.001 0.000 0.278 377 S C 0.328 174.797 174.600 -0.219 0.000 1.333 377 S CA -0.406 57.628 58.200 -0.277 0.000 1.048 377 S CB 0.594 63.441 63.200 -0.589 0.000 0.900 377 S HN 0.472 nan 8.310 nan 0.000 0.505 378 S N 3.093 118.731 115.700 -0.105 0.000 2.810 378 S HA 0.485 4.956 4.470 0.001 0.000 0.315 378 S C -0.236 174.369 174.600 0.008 0.000 1.138 378 S CA -0.931 57.244 58.200 -0.042 0.000 0.889 378 S CB 0.822 64.022 63.200 -0.000 0.000 1.236 378 S HN 0.735 nan 8.310 nan 0.000 0.548 379 N N -0.572 118.159 118.700 0.052 0.000 2.273 379 N HA 0.218 4.959 4.740 0.001 0.000 0.231 379 N C -1.134 174.446 175.510 0.116 0.000 1.134 379 N CA -0.273 52.820 53.050 0.073 0.000 0.856 379 N CB 0.048 38.577 38.487 0.070 0.000 1.068 379 N HN 0.535 nan 8.380 nan 0.000 0.510 380 Y N 2.071 122.371 120.300 -0.001 0.000 2.811 380 Y HA -0.149 4.402 4.550 0.001 0.000 0.334 380 Y C 0.693 176.600 175.900 0.011 0.000 1.247 380 Y CA 0.505 58.606 58.100 0.001 0.000 1.526 380 Y CB -0.209 38.244 38.460 -0.012 0.000 1.284 380 Y HN 0.356 nan 8.280 nan 0.000 0.586 381 N N 2.080 120.434 118.700 -0.577 0.000 2.850 381 N HA -0.233 4.508 4.740 0.001 0.000 0.249 381 N C -0.346 175.074 175.510 -0.151 0.000 1.060 381 N CA 0.512 53.294 53.050 -0.446 0.000 0.825 381 N CB -1.304 36.907 38.487 -0.460 0.000 1.132 381 N HN 0.809 nan 8.380 nan 0.000 0.564 382 T N -0.455 114.069 114.554 -0.049 0.000 3.626 382 T HA -0.274 4.077 4.350 0.001 0.000 0.393 382 T C -0.066 174.671 174.700 0.061 0.000 0.765 382 T CA 1.097 63.231 62.100 0.057 0.000 2.006 382 T CB -0.970 67.948 68.868 0.084 0.000 1.739 382 T HN 0.375 nan 8.240 nan 0.000 0.720 383 R N 1.581 122.103 120.500 0.037 0.000 2.387 383 R HA 0.432 4.772 4.340 0.001 0.000 0.314 383 R C -2.615 173.718 176.300 0.054 0.000 0.958 383 R CA -2.275 53.847 56.100 0.037 0.000 0.846 383 R CB 1.248 31.557 30.300 0.015 0.000 1.147 383 R HN 0.123 nan 8.270 nan 0.000 0.447 384 P HA 0.067 nan 4.420 nan 0.000 0.271 384 P C -0.595 176.753 177.300 0.080 0.000 1.216 384 P CA -0.228 62.907 63.100 0.058 0.000 0.776 384 P CB 0.656 32.383 31.700 0.045 0.000 0.881 385 R N 0.903 121.466 120.500 0.104 0.000 2.641 385 R HA 0.258 4.599 4.340 0.001 0.000 0.269 385 R C 0.525 176.972 176.300 0.246 0.000 1.074 385 R CA -0.663 55.545 56.100 0.181 0.000 1.133 385 R CB 0.208 30.622 30.300 0.190 0.000 1.029 385 R HN 0.371 nan 8.270 nan 0.000 0.488 386 V N -0.163 119.956 119.914 0.340 0.000 3.336 386 V HA 0.579 4.699 4.120 0.001 0.000 0.304 386 V C 0.410 176.604 176.094 0.166 0.000 1.073 386 V CA -0.821 61.618 62.300 0.233 0.000 1.074 386 V CB 0.948 32.897 31.823 0.209 0.000 1.161 386 V HN 0.836 nan 8.190 nan 0.000 0.460 387 A N 0.821 123.669 122.820 0.047 0.000 2.322 387 A HA 0.605 4.926 4.320 0.001 0.000 0.269 387 A C 0.062 177.548 177.584 -0.164 0.000 1.094 387 A CA -0.561 51.431 52.037 -0.075 0.000 0.807 387 A CB 0.055 19.011 19.000 -0.075 0.000 1.047 387 A HN 0.955 nan 8.150 nan 0.000 0.487 388 E N 0.001 120.025 120.200 -0.293 0.000 2.210 388 E HA 0.506 4.856 4.350 0.001 0.000 0.266 388 E C -1.091 175.300 176.600 -0.349 0.000 0.883 388 E CA -0.767 55.414 56.400 -0.365 0.000 0.761 388 E CB 2.121 31.588 29.700 -0.388 0.000 1.156 388 E HN 0.611 nan 8.360 nan 0.000 0.412 389 V N 0.100 119.775 119.914 -0.397 0.000 2.789 389 V HA 0.679 4.800 4.120 0.001 0.000 0.311 389 V C -0.737 175.232 176.094 -0.209 0.000 1.073 389 V CA -1.085 61.009 62.300 -0.344 0.000 0.921 389 V CB 1.728 33.251 31.823 -0.500 0.000 1.009 389 V HN 0.686 nan 8.190 nan 0.000 0.426 390 M N 5.656 125.202 119.600 -0.090 0.000 2.336 390 M HA 0.777 5.258 4.480 0.001 0.000 0.342 390 M C -0.556 175.647 176.300 -0.162 0.000 1.128 390 M CA -0.468 54.829 55.300 -0.005 0.000 1.016 390 M CB 1.655 34.333 32.600 0.131 0.000 1.665 390 M HN 1.081 nan 8.290 nan 0.000 0.445 391 V N 1.312 121.139 119.914 -0.144 0.000 2.732 391 V HA 0.850 4.971 4.120 0.001 0.000 0.310 391 V C -1.145 174.797 176.094 -0.253 0.000 1.053 391 V CA -0.513 61.645 62.300 -0.238 0.000 0.957 391 V CB 1.802 33.537 31.823 -0.148 0.000 1.018 391 V HN 0.889 nan 8.190 nan 0.000 0.452 392 D N 1.656 121.875 120.400 -0.303 0.000 2.337 392 D HA 0.527 5.168 4.640 0.001 0.000 0.238 392 D C 0.467 176.667 176.300 -0.166 0.000 1.331 392 D CA 0.966 54.843 54.000 -0.206 0.000 0.967 392 D CB 0.994 41.720 40.800 -0.123 0.000 1.382 392 D HN 1.391 nan 8.370 nan 0.000 0.549 393 G N 4.427 113.135 108.800 -0.153 0.000 2.574 393 G HA2 -0.367 3.594 3.960 0.001 0.000 0.301 393 G HA3 -0.367 3.594 3.960 0.001 0.000 0.301 393 G C 0.673 175.540 174.900 -0.056 0.000 1.166 393 G CA 0.617 45.661 45.100 -0.093 0.000 0.971 393 G HN 0.768 nan 8.290 nan 0.000 0.542 394 N N 1.054 119.736 118.700 -0.030 0.000 2.235 394 N HA 0.246 4.987 4.740 0.001 0.000 0.209 394 N C 0.201 175.682 175.510 -0.048 0.000 1.122 394 N CA 0.345 53.396 53.050 0.000 0.000 0.845 394 N CB 0.501 39.015 38.487 0.045 0.000 1.004 394 N HN 0.507 nan 8.380 nan 0.000 0.499 395 K N 0.414 120.739 120.400 -0.124 0.000 2.118 395 K HA 0.434 4.755 4.320 0.001 0.000 0.254 395 K C -0.098 176.260 176.600 -0.403 0.000 0.961 395 K CA -0.352 55.816 56.287 -0.199 0.000 0.876 395 K CB 1.510 33.915 32.500 -0.158 0.000 1.077 395 K HN 0.304 nan 8.250 nan 0.000 0.440 396 T N -0.895 113.451 114.554 -0.348 0.000 2.848 396 T HA 0.648 4.999 4.350 0.001 0.000 0.285 396 T C -1.019 173.523 174.700 -0.263 0.000 0.995 396 T CA -0.735 61.164 62.100 -0.336 0.000 0.970 396 T CB 0.394 69.221 68.868 -0.069 0.000 0.976 396 T HN 0.299 nan 8.240 nan 0.000 0.441 397 Y N 2.023 122.300 120.300 -0.038 0.000 2.361 397 Y HA 0.599 5.150 4.550 0.001 0.000 0.337 397 Y C -0.218 175.606 175.900 -0.127 0.000 0.965 397 Y CA -2.027 56.043 58.100 -0.050 0.000 1.091 397 Y CB 1.329 39.759 38.460 -0.049 0.000 1.182 397 Y HN 0.720 nan 8.280 nan 0.000 0.450 398 L N 4.720 125.953 121.223 0.016 0.000 2.410 398 L HA 0.303 4.644 4.340 0.001 0.000 0.273 398 L C 0.664 177.499 176.870 -0.058 0.000 1.144 398 L CA 0.207 54.960 54.840 -0.145 0.000 0.863 398 L CB 0.674 42.681 42.059 -0.087 0.000 1.140 398 L HN 0.680 nan 8.230 nan 0.000 0.463 399 V N 1.946 121.803 119.914 -0.096 0.000 3.645 399 V HA 0.469 4.590 4.120 0.001 0.000 0.275 399 V C 0.582 176.613 176.094 -0.106 0.000 1.356 399 V CA -0.186 62.075 62.300 -0.064 0.000 1.051 399 V CB -0.349 31.469 31.823 -0.009 0.000 0.828 399 V HN 0.804 nan 8.190 nan 0.000 0.441 400 R N 0.904 121.311 120.500 -0.156 0.000 2.508 400 R HA 0.406 4.747 4.340 0.001 0.000 0.283 400 R C -1.033 175.187 176.300 -0.133 0.000 1.120 400 R CA -0.386 55.616 56.100 -0.163 0.000 0.958 400 R CB 1.756 31.887 30.300 -0.282 0.000 1.215 400 R HN 0.489 nan 8.270 nan 0.000 0.427 401 Q N 2.704 122.464 119.800 -0.067 0.000 2.352 401 Q HA 0.119 4.460 4.340 0.001 0.000 0.260 401 Q C -0.157 175.840 176.000 -0.004 0.000 0.976 401 Q CA 0.055 55.843 55.803 -0.024 0.000 0.881 401 Q CB 1.144 29.880 28.738 -0.003 0.000 1.235 401 Q HN 0.324 nan 8.270 nan 0.000 0.419 402 R N 1.983 122.495 120.500 0.021 0.000 2.570 402 R HA -0.045 4.296 4.340 0.001 0.000 0.277 402 R C -0.513 175.811 176.300 0.041 0.000 1.039 402 R CA 0.151 56.279 56.100 0.047 0.000 1.065 402 R CB 0.496 30.828 30.300 0.053 0.000 0.964 402 R HN 0.552 nan 8.270 nan 0.000 0.428 403 E N 2.580 122.813 120.200 0.056 0.000 2.392 403 E HA -0.030 4.321 4.350 0.001 0.000 0.264 403 E C -0.473 176.126 176.600 -0.001 0.000 1.024 403 E CA -0.061 56.355 56.400 0.027 0.000 0.903 403 E CB 0.676 30.399 29.700 0.038 0.000 0.963 403 E HN 0.428 nan 8.360 nan 0.000 0.432 404 E N 2.231 122.410 120.200 -0.035 0.000 2.316 404 E HA -0.039 4.312 4.350 0.001 0.000 0.275 404 E C 0.721 177.256 176.600 -0.108 0.000 1.029 404 E CA -0.087 56.276 56.400 -0.061 0.000 0.871 404 E CB 1.220 30.873 29.700 -0.078 0.000 1.022 404 E HN 0.389 nan 8.360 nan 0.000 0.418 405 L N 3.577 124.747 121.223 -0.089 0.000 1.990 405 L HA -0.251 4.090 4.340 0.001 0.000 0.213 405 L C 1.854 178.471 176.870 -0.423 0.000 1.072 405 L CA 2.063 56.840 54.840 -0.105 0.000 0.755 405 L CB -0.712 41.364 42.059 0.027 0.000 0.889 405 L HN 0.413 nan 8.230 nan 0.000 0.432 406 S N -0.730 114.648 115.700 -0.537 0.000 2.469 406 S HA -0.157 4.314 4.470 0.001 0.000 0.238 406 S C 1.993 175.947 174.600 -1.077 0.000 0.998 406 S CA 1.109 58.651 58.200 -1.096 0.000 0.957 406 S CB -0.636 62.274 63.200 -0.482 0.000 0.764 406 S HN 0.786 nan 8.310 nan 0.000 0.514 407 S N 1.410 116.770 115.700 -0.566 0.000 2.474 407 S HA 0.015 4.486 4.470 0.001 0.000 0.235 407 S C 1.587 175.985 174.600 -0.336 0.000 0.997 407 S CA 0.430 58.406 58.200 -0.374 0.000 0.949 407 S CB -0.437 62.645 63.200 -0.196 0.000 0.766 407 S HN 0.254 nan 8.310 nan 0.000 0.517 408 L N 0.493 121.493 121.223 -0.372 0.000 2.127 408 L HA 0.054 4.395 4.340 0.001 0.000 0.211 408 L C 2.007 178.921 176.870 0.073 0.000 1.089 408 L CA 1.214 56.006 54.840 -0.080 0.000 0.757 408 L CB -0.945 41.171 42.059 0.096 0.000 0.899 408 L HN 0.886 nan 8.230 nan 0.000 0.434 409 W N -3.767 117.537 121.300 0.007 0.000 2.818 409 W HA 0.671 5.331 4.660 0.000 0.000 0.403 409 W C 1.530 178.052 176.519 0.006 0.000 0.991 409 W CA -0.041 57.308 57.345 0.006 0.000 1.925 409 W CB -1.034 28.429 29.460 0.004 0.000 1.166 409 W HN -0.052 nan 8.180 nan 0.000 0.605 410 A N 1.206 123.934 122.820 -0.153 0.000 2.070 410 A HA -0.031 4.290 4.320 0.001 0.000 0.220 410 A C 1.707 179.293 177.584 0.004 0.000 1.159 410 A CA 1.123 53.098 52.037 -0.104 0.000 0.656 410 A CB -0.411 18.496 19.000 -0.156 0.000 0.800 410 A HN 0.515 nan 8.150 nan 0.000 0.453 411 L N -0.585 120.656 121.223 0.030 0.000 2.592 411 L HA 0.151 4.491 4.340 0.001 0.000 0.227 411 L C 0.326 177.234 176.870 0.064 0.000 1.127 411 L CA -0.096 54.767 54.840 0.038 0.000 0.884 411 L CB -0.097 41.980 42.059 0.029 0.000 1.065 411 L HN 0.384 nan 8.230 nan 0.000 0.457 412 E N -0.553 119.711 120.200 0.106 0.000 2.239 412 E HA 0.530 4.880 4.350 0.001 0.000 0.261 412 E C -0.613 176.044 176.600 0.095 0.000 1.016 412 E CA -0.428 56.036 56.400 0.107 0.000 0.882 412 E CB 1.874 31.663 29.700 0.148 0.000 1.190 412 E HN -0.074 nan 8.360 nan 0.000 0.415 413 S N 0.319 116.059 115.700 0.067 0.000 2.541 413 S HA 0.326 4.797 4.470 0.001 0.000 0.271 413 S C -0.418 174.201 174.600 0.032 0.000 1.133 413 S CA -0.938 57.292 58.200 0.050 0.000 0.876 413 S CB 1.560 64.782 63.200 0.038 0.000 1.105 413 S HN 0.446 nan 8.310 nan 0.000 0.470 414 V N 0.696 120.624 119.914 0.024 0.000 3.441 414 V HA 0.599 4.720 4.120 0.001 0.000 0.300 414 V C -0.053 176.047 176.094 0.009 0.000 1.062 414 V CA -0.868 61.437 62.300 0.008 0.000 1.064 414 V CB -0.071 31.752 31.823 0.001 0.000 1.197 414 V HN 0.768 nan 8.190 nan 0.000 0.451 415 L N 1.659 122.884 121.223 0.003 0.000 2.395 415 L HA 0.382 4.723 4.340 0.001 0.000 0.269 415 L C -0.859 176.013 176.870 0.004 0.000 1.133 415 L CA -1.334 53.509 54.840 0.004 0.000 0.812 415 L CB 0.962 43.022 42.059 0.001 0.000 1.125 415 L HN 0.628 nan 8.230 nan 0.000 0.452 416 P HA -0.061 nan 4.420 nan 0.000 0.224 416 P C 0.398 177.700 177.300 0.003 0.000 1.157 416 P CA 0.225 63.328 63.100 0.005 0.000 0.799 416 P CB 0.465 32.169 31.700 0.006 0.000 0.809 417 E N 0.000 120.201 120.200 0.002 0.000 2.725 417 E HA 0.000 4.351 4.350 0.001 0.000 0.291 417 E CA 0.000 56.401 56.400 0.001 0.000 0.976 417 E CB 0.000 29.700 29.700 -0.000 0.000 0.812 417 E HN 0.000 nan 8.360 nan 0.000 0.440