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 2uy9_1_A DATA FIRST_RESID 6 DATA SEQUENCE DIPQPIRGDK GATVKIPRNI ERDRQNPDML VPPETDHGTV SNMKFSFSDT DATA SEQUENCE HNRLEKGGYA REVTVRELPI SENLASVNMR LKPGAIRELH WHKEAEWAYM DATA SEQUENCE IYGSARVTIV DEKGRSFIDD VGEGDLWYFP SGLPHSIQAL EEGAEFLLVF DATA SEQUENCE DDGSFSANST FQLTDWLAHT PKEVIAANFG VTKEEISNLP GKEKYIFENQ DATA SEQUENCE LPGSLKDDIV EGPNGEVPYP FTYRLLEQEP IESEGGKVYI ADSTNFKVSK DATA SEQUENCE TIASALVTVE PGAMRELHWH PNTHEWQYYI SGKARMTVFA SDGHARTFNY DATA SEQUENCE QAGDVGYVPF AMGHYVENIG DEPLVFLEIF KDDHYADVSL NQWLAMLPET DATA SEQUENCE FVQAHLDLGK DFTDVLSKEK HPVVKKK 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 6 D HA 0.000 nan 4.640 nan 0.000 0.175 6 D C 0.000 176.295 176.300 -0.008 0.000 2.045 6 D CA 0.000 53.997 54.000 -0.006 0.000 0.868 6 D CB 0.000 40.797 40.800 -0.005 0.000 0.688 7 I N 2.729 123.293 120.570 -0.009 0.000 2.405 7 I HA 0.265 4.436 4.170 0.001 0.000 0.280 7 I C -1.976 174.133 176.117 -0.012 0.000 1.027 7 I CA -1.483 59.811 61.300 -0.011 0.000 1.161 7 I CB 1.702 39.696 38.000 -0.010 0.000 1.300 7 I HN 0.050 nan 8.210 nan 0.000 0.463 8 P HA 0.200 nan 4.420 nan 0.000 0.275 8 P C -1.097 176.192 177.300 -0.018 0.000 1.228 8 P CA -0.385 62.705 63.100 -0.017 0.000 0.786 8 P CB 1.150 32.839 31.700 -0.020 0.000 0.927 9 Q N 2.067 121.856 119.800 -0.017 0.000 2.365 9 Q HA 0.360 4.700 4.340 0.001 0.000 0.269 9 Q C -2.313 173.675 176.000 -0.020 0.000 1.061 9 Q CA -2.158 53.635 55.803 -0.018 0.000 0.816 9 Q CB 1.965 30.695 28.738 -0.015 0.000 1.325 9 Q HN 0.351 nan 8.270 nan 0.000 0.446 10 P HA 0.280 nan 4.420 nan 0.000 0.237 10 P C -0.591 176.696 177.300 -0.021 0.000 1.788 10 P CA 0.244 63.329 63.100 -0.025 0.000 1.061 10 P CB -0.242 31.441 31.700 -0.028 0.000 1.967 11 I N 1.638 122.197 120.570 -0.018 0.000 2.498 11 I HA 0.430 4.601 4.170 0.001 0.000 0.290 11 I C 0.444 176.553 176.117 -0.014 0.000 1.032 11 I CA -0.781 60.510 61.300 -0.015 0.000 1.073 11 I CB 2.837 40.829 38.000 -0.013 0.000 1.251 11 I HN -0.031 nan 8.210 nan 0.000 0.426 12 R N 4.892 125.384 120.500 -0.013 0.000 2.467 12 R HA 0.548 4.889 4.340 0.001 0.000 0.299 12 R C 0.469 176.764 176.300 -0.009 0.000 1.120 12 R CA 0.290 56.383 56.100 -0.011 0.000 0.940 12 R CB 1.127 31.420 30.300 -0.012 0.000 1.161 12 R HN 0.895 nan 8.270 nan 0.000 0.506 13 G N 3.999 112.794 108.800 -0.008 0.000 2.634 13 G HA2 -0.443 3.517 3.960 0.001 0.000 0.318 13 G HA3 -0.443 3.517 3.960 0.001 0.000 0.318 13 G C 0.177 175.072 174.900 -0.008 0.000 1.207 13 G CA 0.774 45.869 45.100 -0.008 0.000 0.987 13 G HN 0.791 nan 8.290 nan 0.000 0.547 14 D N 1.311 121.706 120.400 -0.008 0.000 2.358 14 D HA 0.305 4.945 4.640 0.001 0.000 0.224 14 D C 0.686 176.981 176.300 -0.008 0.000 1.123 14 D CA 0.364 54.360 54.000 -0.008 0.000 0.833 14 D CB 0.155 40.950 40.800 -0.007 0.000 0.946 14 D HN 0.586 nan 8.370 nan 0.000 0.505 15 K N 0.049 120.443 120.400 -0.009 0.000 2.267 15 K HA 0.599 4.919 4.320 0.001 0.000 0.246 15 K C 0.414 177.007 176.600 -0.012 0.000 0.954 15 K CA -0.461 55.819 56.287 -0.010 0.000 0.824 15 K CB 2.159 34.653 32.500 -0.010 0.000 1.167 15 K HN 0.163 nan 8.250 nan 0.000 0.431 16 G N 0.375 109.167 108.800 -0.014 0.000 2.698 16 G HA2 0.157 4.118 3.960 0.001 0.000 0.225 16 G HA3 0.157 4.118 3.960 0.001 0.000 0.225 16 G C -1.252 173.640 174.900 -0.014 0.000 1.345 16 G CA -0.492 44.599 45.100 -0.016 0.000 0.871 16 G HN 0.905 nan 8.290 nan 0.000 0.540 17 A N -1.648 121.163 122.820 -0.015 0.000 2.601 17 A HA 1.022 5.343 4.320 0.001 0.000 0.291 17 A C 0.274 177.850 177.584 -0.014 0.000 1.075 17 A CA 0.840 52.869 52.037 -0.013 0.000 0.671 17 A CB 0.612 19.605 19.000 -0.013 0.000 1.277 17 A HN 2.649 nan 8.150 nan 0.000 0.417 18 T N -0.328 114.218 114.554 -0.013 0.000 2.940 18 T HA 0.447 4.798 4.350 0.001 0.000 0.309 18 T C 0.372 175.063 174.700 -0.014 0.000 1.056 18 T CA -0.244 61.848 62.100 -0.013 0.000 1.137 18 T CB 0.158 69.019 68.868 -0.011 0.000 0.976 18 T HN 1.138 nan 8.240 nan 0.000 0.547 19 V N 4.182 124.086 119.914 -0.015 0.000 2.655 19 V HA 0.134 4.254 4.120 0.001 0.000 0.300 19 V C 1.299 177.385 176.094 -0.013 0.000 1.044 19 V CA -0.006 62.285 62.300 -0.015 0.000 1.095 19 V CB 0.586 32.398 31.823 -0.017 0.000 0.952 19 V HN 0.923 nan 8.190 nan 0.000 0.485 20 K N 3.508 123.901 120.400 -0.012 0.000 2.412 20 K HA 0.337 4.658 4.320 0.001 0.000 0.202 20 K C 0.296 176.890 176.600 -0.010 0.000 1.102 20 K CA 0.120 56.401 56.287 -0.011 0.000 1.027 20 K CB 0.703 33.197 32.500 -0.010 0.000 0.931 20 K HN 0.796 nan 8.250 nan 0.000 0.557 21 I N -0.204 120.359 120.570 -0.011 0.000 2.783 21 I HA 0.446 4.616 4.170 0.001 0.000 0.312 21 I C -2.350 173.760 176.117 -0.011 0.000 0.988 21 I CA -2.514 58.780 61.300 -0.011 0.000 1.182 21 I CB 0.252 38.246 38.000 -0.011 0.000 1.368 21 I HN -0.267 nan 8.210 nan 0.000 0.511 22 P HA 0.176 nan 4.420 nan 0.000 0.267 22 P C -1.182 176.110 177.300 -0.013 0.000 1.200 22 P CA -0.034 63.060 63.100 -0.011 0.000 0.772 22 P CB 0.394 32.088 31.700 -0.010 0.000 0.855 23 R N 0.792 121.284 120.500 -0.015 0.000 2.795 23 R HA 0.536 4.876 4.340 0.001 0.000 0.268 23 R C -1.047 175.241 176.300 -0.019 0.000 1.041 23 R CA -0.998 55.091 56.100 -0.018 0.000 0.927 23 R CB 0.854 31.143 30.300 -0.019 0.000 1.235 23 R HN 0.158 nan 8.270 nan 0.000 0.463 24 N N 1.238 119.924 118.700 -0.023 0.000 2.816 24 N HA 0.126 4.866 4.740 0.001 0.000 0.236 24 N C 0.082 175.576 175.510 -0.027 0.000 1.076 24 N CA -0.381 52.654 53.050 -0.026 0.000 0.902 24 N CB 0.972 39.441 38.487 -0.030 0.000 1.149 24 N HN 0.738 nan 8.380 nan 0.000 0.506 25 I N 2.893 123.449 120.570 -0.023 0.000 2.286 25 I HA -0.187 3.984 4.170 0.001 0.000 0.248 25 I C 1.515 177.617 176.117 -0.026 0.000 1.115 25 I CA 1.509 62.795 61.300 -0.023 0.000 1.392 25 I CB 0.296 38.285 38.000 -0.018 0.000 1.065 25 I HN 0.457 nan 8.210 nan 0.000 0.418 26 E N 0.012 120.197 120.200 -0.025 0.000 2.110 26 E HA -0.186 4.164 4.350 0.001 0.000 0.193 26 E C 2.347 178.926 176.600 -0.035 0.000 0.988 26 E CA 1.146 57.531 56.400 -0.026 0.000 0.804 26 E CB -0.203 29.483 29.700 -0.023 0.000 0.745 26 E HN 0.392 nan 8.360 nan 0.000 0.458 27 R N 0.445 120.920 120.500 -0.041 0.000 2.090 27 R HA -0.096 4.244 4.340 0.001 0.000 0.228 27 R C 1.565 177.832 176.300 -0.056 0.000 1.110 27 R CA 1.293 57.360 56.100 -0.054 0.000 0.973 27 R CB -0.086 30.178 30.300 -0.060 0.000 0.869 27 R HN 0.173 nan 8.270 nan 0.000 0.440 28 D N 0.316 120.688 120.400 -0.047 0.000 2.123 28 D HA -0.157 4.484 4.640 0.001 0.000 0.196 28 D C 1.896 178.170 176.300 -0.044 0.000 0.992 28 D CA 1.226 55.198 54.000 -0.046 0.000 0.833 28 D CB -0.108 40.669 40.800 -0.037 0.000 0.954 28 D HN 0.188 nan 8.370 nan 0.000 0.455 29 R N 0.321 120.798 120.500 -0.037 0.000 2.120 29 R HA -0.065 4.275 4.340 0.001 0.000 0.234 29 R C 2.178 178.455 176.300 -0.039 0.000 1.123 29 R CA 0.820 56.900 56.100 -0.033 0.000 0.975 29 R CB -0.163 30.122 30.300 -0.025 0.000 0.866 29 R HN 0.395 nan 8.270 nan 0.000 0.446 30 Q N 0.068 119.839 119.800 -0.049 0.000 2.378 30 Q HA 0.007 4.347 4.340 0.001 0.000 0.205 30 Q C 0.010 175.960 176.000 -0.083 0.000 0.954 30 Q CA 0.536 56.302 55.803 -0.062 0.000 0.901 30 Q CB 0.307 29.004 28.738 -0.068 0.000 0.981 30 Q HN 0.242 nan 8.270 nan 0.000 0.483 31 N N 0.468 119.119 118.700 -0.082 0.000 2.660 31 N HA 0.119 4.859 4.740 0.001 0.000 0.316 31 N C -2.166 173.296 175.510 -0.081 0.000 1.774 31 N CA -1.261 51.730 53.050 -0.100 0.000 0.946 31 N CB 0.838 39.259 38.487 -0.110 0.000 1.322 31 N HN 0.078 nan 8.380 nan 0.000 0.492 32 P HA -0.091 nan 4.420 nan 0.000 0.218 32 P C 0.331 177.600 177.300 -0.052 0.000 1.148 32 P CA 1.244 64.316 63.100 -0.047 0.000 0.822 32 P CB 0.463 32.145 31.700 -0.030 0.000 0.784 33 D N -1.486 118.877 120.400 -0.062 0.000 2.328 33 D HA 0.120 4.760 4.640 0.001 0.000 0.226 33 D C 1.619 177.852 176.300 -0.111 0.000 1.066 33 D CA 0.591 54.552 54.000 -0.066 0.000 0.861 33 D CB 0.201 40.973 40.800 -0.047 0.000 0.912 33 D HN 0.307 nan 8.370 nan 0.000 0.521 34 M N -0.631 118.897 119.600 -0.120 0.000 2.925 34 M HA 0.045 4.526 4.480 0.001 0.000 0.249 34 M C 1.870 178.107 176.300 -0.106 0.000 1.439 34 M CA 0.039 55.250 55.300 -0.148 0.000 1.217 34 M CB 0.262 32.764 32.600 -0.164 0.000 1.245 34 M HN -0.091 nan 8.290 nan 0.000 0.552 35 L N 0.802 121.976 121.223 -0.082 0.000 2.079 35 L HA -0.024 4.316 4.340 0.001 0.000 0.210 35 L C 0.473 177.311 176.870 -0.054 0.000 1.081 35 L CA 1.305 56.108 54.840 -0.062 0.000 0.752 35 L CB 0.223 42.251 42.059 -0.051 0.000 0.896 35 L HN 0.059 nan 8.230 nan 0.000 0.433 36 V N 0.768 120.650 119.914 -0.052 0.000 2.383 36 V HA 0.342 4.463 4.120 0.001 0.000 0.264 36 V C -2.283 173.785 176.094 -0.043 0.000 1.001 36 V CA -1.409 60.866 62.300 -0.041 0.000 0.828 36 V CB 0.610 32.416 31.823 -0.029 0.000 1.069 36 V HN 0.098 nan 8.190 nan 0.000 0.451 37 P HA 0.243 nan 4.420 nan 0.000 0.270 37 P C -2.556 174.731 177.300 -0.022 0.000 1.223 37 P CA -1.031 62.037 63.100 -0.053 0.000 0.785 37 P CB -0.046 31.612 31.700 -0.071 0.000 0.923 38 P HA -0.010 nan 4.420 nan 0.000 0.269 38 P C 0.830 178.137 177.300 0.012 0.000 1.215 38 P CA 0.043 63.152 63.100 0.015 0.000 0.780 38 P CB 0.285 32.010 31.700 0.042 0.000 0.898 39 E N 0.224 120.431 120.200 0.010 0.000 2.268 39 E HA -0.158 4.192 4.350 0.001 0.000 0.195 39 E C 0.847 177.460 176.600 0.022 0.000 0.995 39 E CA 1.413 57.820 56.400 0.011 0.000 0.836 39 E CB -0.913 28.789 29.700 0.003 0.000 0.763 39 E HN 0.463 nan 8.360 nan 0.000 0.491 40 T N -1.368 113.202 114.554 0.027 0.000 3.072 40 T HA -0.050 4.300 4.350 0.001 0.000 0.266 40 T C 0.297 175.044 174.700 0.078 0.000 1.127 40 T CA 0.342 62.465 62.100 0.040 0.000 1.107 40 T CB -0.271 68.616 68.868 0.032 0.000 0.910 40 T HN -0.020 nan 8.240 nan 0.000 0.513 41 D N 1.597 122.040 120.400 0.071 0.000 2.382 41 D HA 0.299 4.940 4.640 0.001 0.000 0.240 41 D C -0.097 176.275 176.300 0.120 0.000 1.146 41 D CA 0.442 54.490 54.000 0.080 0.000 0.897 41 D CB 0.312 41.119 40.800 0.013 0.000 1.197 41 D HN 0.390 nan 8.370 nan 0.000 0.432 42 H N 0.003 119.065 119.070 -0.012 0.000 3.121 42 H HA 0.445 5.001 4.556 0.001 0.000 0.337 42 H C -0.016 175.222 175.328 -0.150 0.000 1.198 42 H CA 0.117 56.122 56.048 -0.072 0.000 1.274 42 H CB 1.138 30.856 29.762 -0.073 0.000 1.954 42 H HN 0.653 nan 8.280 nan 0.000 0.531 43 G N 2.001 110.278 108.800 -0.871 0.000 2.781 43 G HA2 -0.209 3.751 3.960 0.001 0.000 0.683 43 G HA3 -0.209 3.751 3.960 0.001 0.000 0.683 43 G C -0.649 174.137 174.900 -0.189 0.000 1.390 43 G CA -0.221 44.453 45.100 -0.710 0.000 0.850 43 G HN 0.657 nan 8.290 nan 0.000 0.557 44 T N 0.600 115.154 114.554 0.001 0.000 2.834 44 T HA 0.480 4.831 4.350 0.001 0.000 0.298 44 T C 0.481 175.291 174.700 0.184 0.000 0.966 44 T CA 0.175 62.326 62.100 0.085 0.000 1.141 44 T CB 1.123 70.037 68.868 0.077 0.000 0.905 44 T HN 1.045 nan 8.240 nan 0.000 0.535 45 V N 3.076 123.074 119.914 0.140 0.000 2.735 45 V HA 0.367 4.488 4.120 0.001 0.000 0.310 45 V C 0.456 176.656 176.094 0.176 0.000 1.061 45 V CA -1.005 61.397 62.300 0.170 0.000 0.913 45 V CB 2.291 34.246 31.823 0.221 0.000 1.005 45 V HN 0.903 nan 8.190 nan 0.000 0.428 46 S N 2.465 118.250 115.700 0.141 0.000 2.569 46 S HA 0.046 4.516 4.470 0.001 0.000 0.274 46 S C 0.324 175.021 174.600 0.162 0.000 1.353 46 S CA 0.036 58.302 58.200 0.110 0.000 1.023 46 S CB 0.053 63.285 63.200 0.053 0.000 0.876 46 S HN 0.857 nan 8.310 nan 0.000 0.540 47 N N 1.484 120.255 118.700 0.118 0.000 2.454 47 N HA 0.034 4.774 4.740 0.001 0.000 0.260 47 N C 0.126 175.561 175.510 -0.126 0.000 1.218 47 N CA 0.471 53.585 53.050 0.107 0.000 0.904 47 N CB 0.213 38.767 38.487 0.112 0.000 1.065 47 N HN 0.385 nan 8.380 nan 0.000 0.462 48 M N 2.363 121.633 119.600 -0.548 0.000 2.692 48 M HA 0.179 4.660 4.480 0.001 0.000 0.372 48 M C -0.368 175.716 176.300 -0.359 0.000 1.192 48 M CA -0.013 54.958 55.300 -0.548 0.000 0.928 48 M CB -0.798 31.317 32.600 -0.807 0.000 1.366 48 M HN 0.530 nan 8.290 nan 0.000 0.517 49 K N 0.706 121.000 120.400 -0.177 0.000 2.553 49 K HA 0.570 4.890 4.320 0.001 0.000 0.250 49 K C -2.327 174.352 176.600 0.130 0.000 0.953 49 K CA -0.305 55.979 56.287 -0.004 0.000 0.800 49 K CB 2.509 34.893 32.500 -0.194 0.000 1.243 49 K HN 0.026 nan 8.250 nan 0.000 0.435 50 F N 1.607 121.538 119.950 -0.031 0.000 2.628 50 F HA 0.326 4.856 4.527 0.004 0.000 0.309 50 F C -1.063 174.724 175.800 -0.021 0.000 1.108 50 F CA -0.399 57.574 58.000 -0.045 0.000 0.971 50 F CB 2.378 41.333 39.000 -0.074 0.000 1.279 50 F HN 0.450 nan 8.300 nan 0.000 0.441 51 S N 3.863 119.411 115.700 -0.255 0.000 2.489 51 S HA 0.371 4.842 4.470 0.001 0.000 0.291 51 S C 0.746 175.408 174.600 0.103 0.000 1.151 51 S CA -0.373 57.807 58.200 -0.033 0.000 1.082 51 S CB 0.556 63.690 63.200 -0.110 0.000 1.019 51 S HN 0.568 nan 8.310 nan 0.000 0.492 52 F N 2.874 122.962 119.950 0.230 0.000 2.269 52 F HA -0.036 4.493 4.527 0.003 0.000 0.301 52 F C 2.693 178.574 175.800 0.135 0.000 1.082 52 F CA 1.146 59.288 58.000 0.237 0.000 1.360 52 F CB -0.297 38.853 39.000 0.250 0.000 1.041 52 F HN 0.548 nan 8.300 nan 0.000 0.512 53 S N -0.788 115.061 115.700 0.249 0.000 2.440 53 S HA -0.174 4.296 4.470 0.001 0.000 0.238 53 S C 1.151 175.786 174.600 0.058 0.000 1.010 53 S CA 1.175 59.444 58.200 0.114 0.000 0.972 53 S CB -0.304 62.931 63.200 0.059 0.000 0.774 53 S HN 0.333 nan 8.310 nan 0.000 0.501 54 D N 1.849 122.258 120.400 0.014 0.000 2.325 54 D HA 0.079 4.719 4.640 0.001 0.000 0.234 54 D C 0.531 176.923 176.300 0.154 0.000 1.122 54 D CA 0.255 54.240 54.000 -0.024 0.000 0.850 54 D CB 0.155 40.767 40.800 -0.313 0.000 0.921 54 D HN 0.477 nan 8.370 nan 0.000 0.513 55 T N -2.679 112.000 114.554 0.207 0.000 2.912 55 T HA 0.295 4.646 4.350 0.001 0.000 0.288 55 T C -0.183 174.643 174.700 0.210 0.000 1.030 55 T CA -0.924 61.328 62.100 0.254 0.000 1.020 55 T CB 2.200 71.250 68.868 0.303 0.000 1.056 55 T HN 0.074 nan 8.240 nan 0.000 0.480 56 H N 1.969 121.100 119.070 0.103 0.000 2.886 56 H HA 0.322 4.879 4.556 0.001 0.000 0.329 56 H C -0.139 175.236 175.328 0.078 0.000 1.044 56 H CA 0.052 56.140 56.048 0.067 0.000 1.456 56 H CB 0.433 30.223 29.762 0.047 0.000 1.464 56 H HN 0.563 nan 8.280 nan 0.000 0.573 57 N N 3.998 122.484 118.700 -0.355 0.000 2.457 57 N HA 0.117 4.858 4.740 0.001 0.000 0.250 57 N C -0.990 174.317 175.510 -0.338 0.000 0.982 57 N CA -0.571 52.333 53.050 -0.244 0.000 0.941 57 N CB 0.533 38.863 38.487 -0.263 0.000 1.120 57 N HN 0.641 nan 8.380 nan 0.000 0.505 58 R N 4.577 125.051 120.500 -0.043 0.000 2.351 58 R HA 0.194 4.535 4.340 0.001 0.000 0.318 58 R C -0.564 175.812 176.300 0.127 0.000 1.055 58 R CA -0.136 56.000 56.100 0.060 0.000 0.968 58 R CB 0.131 30.525 30.300 0.156 0.000 0.974 58 R HN 0.517 nan 8.270 nan 0.000 0.439 59 L N 4.697 125.968 121.223 0.079 0.000 2.282 59 L HA 0.417 4.757 4.340 0.001 0.000 0.288 59 L C 0.138 177.096 176.870 0.147 0.000 1.033 59 L CA -0.591 54.327 54.840 0.131 0.000 0.807 59 L CB 1.446 43.547 42.059 0.069 0.000 1.209 59 L HN 0.537 nan 8.230 nan 0.000 0.423 60 E N 2.123 122.435 120.200 0.185 0.000 2.378 60 E HA 0.356 4.706 4.350 0.001 0.000 0.265 60 E C -0.923 175.766 176.600 0.147 0.000 0.932 60 E CA -1.033 55.476 56.400 0.181 0.000 0.795 60 E CB 1.937 31.793 29.700 0.259 0.000 1.296 60 E HN 0.319 nan 8.360 nan 0.000 0.438 61 K N 0.470 120.954 120.400 0.140 0.000 2.307 61 K HA 0.287 4.607 4.320 0.001 0.000 0.285 61 K C 0.636 177.304 176.600 0.114 0.000 1.073 61 K CA 0.771 57.130 56.287 0.119 0.000 0.996 61 K CB -0.149 32.425 32.500 0.123 0.000 0.994 61 K HN 0.788 nan 8.250 nan 0.000 0.452 62 G N 1.416 110.265 108.800 0.081 0.000 2.367 62 G HA2 -0.076 3.884 3.960 0.001 0.000 0.181 62 G HA3 -0.076 3.884 3.960 0.001 0.000 0.181 62 G C 0.361 175.270 174.900 0.014 0.000 1.000 62 G CA -0.401 44.723 45.100 0.039 0.000 0.693 62 G HN 0.971 nan 8.290 nan 0.000 0.480 63 G N -0.856 107.969 108.800 0.041 0.000 2.513 63 G HA2 0.692 4.652 3.960 0.001 0.000 0.182 63 G HA3 0.692 4.652 3.960 0.001 0.000 0.182 63 G C -1.024 173.930 174.900 0.091 0.000 1.190 63 G CA 0.485 45.568 45.100 -0.029 0.000 0.987 63 G HN 1.849 nan 8.290 nan 0.000 0.479 64 Y N -1.939 118.394 120.300 0.055 0.000 2.677 64 Y HA 0.885 5.435 4.550 0.000 0.000 0.334 64 Y C -0.567 175.377 175.900 0.074 0.000 1.196 64 Y CA -1.396 56.747 58.100 0.072 0.000 1.059 64 Y CB 1.121 39.599 38.460 0.031 0.000 1.315 64 Y HN 1.867 nan 8.280 nan 0.000 0.455 65 A N 2.387 125.462 122.820 0.426 0.000 2.488 65 A HA 0.889 5.209 4.320 0.001 0.000 0.298 65 A C -1.393 176.385 177.584 0.323 0.000 1.044 65 A CA -0.997 51.249 52.037 0.349 0.000 0.693 65 A CB 1.664 20.880 19.000 0.360 0.000 1.272 65 A HN 1.104 nan 8.150 nan 0.000 0.402 66 R N 1.531 122.221 120.500 0.317 0.000 2.673 66 R HA 0.734 5.074 4.340 0.001 0.000 0.281 66 R C -1.010 175.578 176.300 0.480 0.000 0.991 66 R CA -0.671 55.632 56.100 0.339 0.000 0.896 66 R CB 1.925 32.401 30.300 0.293 0.000 1.201 66 R HN 0.815 nan 8.270 nan 0.000 0.457 67 E N 1.701 122.161 120.200 0.433 0.000 2.312 67 E HA 0.496 4.847 4.350 0.001 0.000 0.267 67 E C -1.354 175.371 176.600 0.208 0.000 0.894 67 E CA -1.184 55.468 56.400 0.420 0.000 0.773 67 E CB 2.584 32.472 29.700 0.314 0.000 1.241 67 E HN 0.279 nan 8.360 nan 0.000 0.432 68 V N 2.409 122.372 119.914 0.082 0.000 2.376 68 V HA 0.378 4.499 4.120 0.001 0.000 0.287 68 V C 0.068 176.159 176.094 -0.004 0.000 1.015 68 V CA -0.158 62.071 62.300 -0.118 0.000 0.834 68 V CB 0.996 32.602 31.823 -0.363 0.000 1.001 68 V HN 0.940 nan 8.190 nan 0.000 0.428 69 T N 1.099 115.608 114.554 -0.075 0.000 2.807 69 T HA 0.394 4.745 4.350 0.001 0.000 0.277 69 T C 1.015 175.642 174.700 -0.121 0.000 1.006 69 T CA -0.193 61.885 62.100 -0.037 0.000 1.006 69 T CB 1.656 70.521 68.868 -0.005 0.000 1.274 69 T HN 0.087 nan 8.240 nan 0.000 0.569 70 V N 0.847 120.704 119.914 -0.095 0.000 2.828 70 V HA -0.106 4.015 4.120 0.001 0.000 0.260 70 V C 2.584 178.589 176.094 -0.148 0.000 1.101 70 V CA 1.781 64.004 62.300 -0.128 0.000 1.123 70 V CB -0.954 30.812 31.823 -0.096 0.000 0.704 70 V HN 0.782 nan 8.190 nan 0.000 0.493 71 R N -0.828 119.586 120.500 -0.144 0.000 2.236 71 R HA -0.034 4.307 4.340 0.001 0.000 0.208 71 R C 1.947 178.123 176.300 -0.206 0.000 1.036 71 R CA 1.119 57.134 56.100 -0.142 0.000 1.001 71 R CB 0.068 30.301 30.300 -0.112 0.000 0.896 71 R HN 0.492 nan 8.270 nan 0.000 0.464 72 E N -0.254 119.745 120.200 -0.336 0.000 2.206 72 E HA 0.074 4.425 4.350 0.001 0.000 0.195 72 E C -0.380 175.783 176.600 -0.729 0.000 0.935 72 E CA 0.388 56.381 56.400 -0.678 0.000 0.875 72 E CB 0.509 29.575 29.700 -1.056 0.000 0.841 72 E HN -0.074 nan 8.360 nan 0.000 0.477 73 L N 2.115 123.045 121.223 -0.489 0.000 2.457 73 L HA 0.358 4.698 4.340 0.001 0.000 0.252 73 L C -2.315 174.408 176.870 -0.245 0.000 1.132 73 L CA -1.879 52.769 54.840 -0.320 0.000 0.938 73 L CB 1.325 43.224 42.059 -0.267 0.000 1.246 73 L HN -0.118 nan 8.230 nan 0.000 0.476 74 P HA -0.153 nan 4.420 nan 0.000 0.220 74 P C 1.717 178.900 177.300 -0.195 0.000 1.148 74 P CA 0.797 63.800 63.100 -0.163 0.000 0.803 74 P CB 0.425 32.060 31.700 -0.109 0.000 0.782 75 I N 0.190 120.620 120.570 -0.232 0.000 2.248 75 I HA -0.167 4.003 4.170 0.001 0.000 0.248 75 I C 1.114 176.878 176.117 -0.588 0.000 1.107 75 I CA 1.367 62.480 61.300 -0.311 0.000 1.373 75 I CB -0.766 37.077 38.000 -0.261 0.000 1.055 75 I HN -0.155 nan 8.210 nan 0.000 0.418 76 S N 0.522 115.785 115.700 -0.728 0.000 3.483 76 S HA 0.141 4.612 4.470 0.001 0.000 0.274 76 S C 1.088 175.506 174.600 -0.303 0.000 1.289 76 S CA -0.355 57.377 58.200 -0.780 0.000 0.938 76 S CB -0.440 62.452 63.200 -0.514 0.000 1.453 76 S HN 0.396 nan 8.310 nan 0.000 0.494 77 E N 2.036 122.094 120.200 -0.236 0.000 2.371 77 E HA -0.046 4.304 4.350 0.001 0.000 0.194 77 E C 1.434 177.998 176.600 -0.060 0.000 1.012 77 E CA 0.415 56.742 56.400 -0.121 0.000 0.860 77 E CB 0.152 29.796 29.700 -0.095 0.000 0.811 77 E HN 0.779 nan 8.360 nan 0.000 0.502 78 N N 0.102 118.777 118.700 -0.042 0.000 2.220 78 N HA 0.034 4.774 4.740 0.001 0.000 0.195 78 N C 0.020 175.525 175.510 -0.008 0.000 1.123 78 N CA 0.164 53.218 53.050 0.006 0.000 0.874 78 N CB 0.630 39.146 38.487 0.048 0.000 0.995 78 N HN 0.013 nan 8.380 nan 0.000 0.498 79 L N 0.417 121.614 121.223 -0.044 0.000 2.464 79 L HA 0.774 5.114 4.340 0.001 0.000 0.266 79 L C -1.054 175.679 176.870 -0.228 0.000 0.965 79 L CA -0.883 53.846 54.840 -0.186 0.000 0.833 79 L CB 2.223 44.086 42.059 -0.327 0.000 1.296 79 L HN 0.074 nan 8.230 nan 0.000 0.405 80 A N 1.787 124.473 122.820 -0.222 0.000 2.479 80 A HA 0.927 5.248 4.320 0.001 0.000 0.296 80 A C -1.039 176.468 177.584 -0.128 0.000 1.121 80 A CA -0.551 51.429 52.037 -0.094 0.000 0.743 80 A CB 2.265 21.309 19.000 0.074 0.000 1.323 80 A HN 0.510 nan 8.150 nan 0.000 0.415 81 S N -0.667 115.085 115.700 0.087 0.000 2.564 81 S HA 0.718 5.188 4.470 0.001 0.000 0.274 81 S C -1.657 173.217 174.600 0.456 0.000 1.124 81 S CA -0.392 57.929 58.200 0.202 0.000 0.869 81 S CB 1.610 64.996 63.200 0.310 0.000 1.105 81 S HN 1.153 nan 8.310 nan 0.000 0.472 82 V N 4.007 124.195 119.914 0.457 0.000 2.588 82 V HA 0.495 4.615 4.120 0.001 0.000 0.304 82 V C -0.224 175.969 176.094 0.166 0.000 1.042 82 V CA -0.935 61.635 62.300 0.450 0.000 0.877 82 V CB 1.767 33.884 31.823 0.491 0.000 0.996 82 V HN 0.917 nan 8.190 nan 0.000 0.425 83 N N 5.165 123.831 118.700 -0.057 0.000 2.439 83 N HA 0.549 5.290 4.740 0.001 0.000 0.249 83 N C -0.728 174.674 175.510 -0.181 0.000 1.003 83 N CA -0.432 52.381 53.050 -0.395 0.000 0.942 83 N CB 0.880 38.805 38.487 -0.936 0.000 1.115 83 N HN 0.721 nan 8.380 nan 0.000 0.505 84 M N 3.095 122.443 119.600 -0.420 0.000 2.528 84 M HA 0.446 4.926 4.480 0.001 0.000 0.321 84 M C -1.104 174.706 176.300 -0.815 0.000 1.153 84 M CA -0.810 54.176 55.300 -0.524 0.000 0.951 84 M CB 1.531 33.816 32.600 -0.525 0.000 1.705 84 M HN 0.521 nan 8.290 nan 0.000 0.451 85 R N 3.901 123.987 120.500 -0.690 0.000 2.574 85 R HA 0.728 5.068 4.340 0.001 0.000 0.288 85 R C -2.499 173.585 176.300 -0.359 0.000 1.004 85 R CA -0.334 55.357 56.100 -0.681 0.000 0.895 85 R CB 1.388 30.833 30.300 -1.425 0.000 1.191 85 R HN 0.790 nan 8.270 nan 0.000 0.444 86 L N 4.126 125.283 121.223 -0.109 0.000 2.385 86 L HA 0.566 4.906 4.340 0.001 0.000 0.273 86 L C -0.118 176.759 176.870 0.012 0.000 0.990 86 L CA -1.111 53.721 54.840 -0.012 0.000 0.821 86 L CB 2.307 44.426 42.059 0.099 0.000 1.279 86 L HN 0.588 nan 8.230 nan 0.000 0.412 87 K N 2.337 122.736 120.400 -0.001 0.000 2.120 87 K HA 0.304 4.625 4.320 0.001 0.000 0.245 87 K C -2.388 174.228 176.600 0.026 0.000 1.024 87 K CA -1.532 54.769 56.287 0.024 0.000 0.906 87 K CB 0.158 32.670 32.500 0.021 0.000 1.051 87 K HN 0.244 nan 8.250 nan 0.000 0.491 88 P HA -0.099 nan 4.420 nan 0.000 0.262 88 P C 0.482 177.781 177.300 -0.001 0.000 1.182 88 P CA 1.182 64.295 63.100 0.022 0.000 0.761 88 P CB 0.404 32.122 31.700 0.029 0.000 0.795 89 G N 2.395 111.184 108.800 -0.017 0.000 2.302 89 G HA2 -0.304 3.656 3.960 0.001 0.000 0.263 89 G HA3 -0.304 3.656 3.960 0.001 0.000 0.263 89 G C 0.543 175.392 174.900 -0.085 0.000 0.995 89 G CA 0.149 45.225 45.100 -0.041 0.000 0.622 89 G HN 0.867 nan 8.290 nan 0.000 0.538 90 A N 0.017 122.789 122.820 -0.081 0.000 2.498 90 A HA 0.597 4.917 4.320 0.001 0.000 0.239 90 A C 0.385 177.825 177.584 -0.239 0.000 1.068 90 A CA 0.491 52.440 52.037 -0.147 0.000 0.766 90 A CB 0.185 19.139 19.000 -0.078 0.000 1.003 90 A HN 0.845 nan 8.150 nan 0.000 0.497 91 I N 1.647 121.916 120.570 -0.502 0.000 2.404 91 I HA 0.332 4.503 4.170 0.001 0.000 0.293 91 I C 0.405 176.276 176.117 -0.410 0.000 0.992 91 I CA -0.760 60.201 61.300 -0.566 0.000 1.149 91 I CB 1.672 39.103 38.000 -0.948 0.000 1.315 91 I HN 0.677 nan 8.210 nan 0.000 0.446 92 R N 5.983 126.391 120.500 -0.152 0.000 2.242 92 R HA 0.104 4.444 4.340 0.001 0.000 0.334 92 R C -0.020 176.326 176.300 0.078 0.000 1.071 92 R CA -0.172 55.907 56.100 -0.034 0.000 0.922 92 R CB 0.086 30.453 30.300 0.112 0.000 1.023 92 R HN 0.563 nan 8.270 nan 0.000 0.458 93 E N 3.969 124.270 120.200 0.169 0.000 2.608 93 E HA -0.112 4.238 4.350 0.001 0.000 0.259 93 E C -0.367 176.417 176.600 0.308 0.000 0.951 93 E CA -0.025 56.575 56.400 0.333 0.000 0.945 93 E CB 0.457 30.370 29.700 0.355 0.000 0.916 93 E HN 0.560 nan 8.360 nan 0.000 0.477 94 L N 6.355 127.703 121.223 0.209 0.000 2.678 94 L HA -0.117 4.224 4.340 0.001 0.000 0.285 94 L C 0.608 177.594 176.870 0.193 0.000 1.233 94 L CA 1.020 55.921 54.840 0.101 0.000 0.920 94 L CB -0.347 41.775 42.059 0.104 0.000 1.176 94 L HN 0.603 nan 8.230 nan 0.000 0.495 95 H N 1.906 120.964 119.070 -0.020 0.000 2.902 95 H HA 0.494 5.050 4.556 0.000 0.000 0.297 95 H C -1.552 173.745 175.328 -0.052 0.000 1.406 95 H CA -1.132 54.938 56.048 0.037 0.000 1.134 95 H CB 1.076 30.831 29.762 -0.013 0.000 1.833 95 H HN 0.599 nan 8.280 nan 0.000 0.527 96 W N 0.456 121.727 121.300 -0.049 0.000 3.042 96 W HA 0.648 5.308 4.660 0.000 0.000 0.342 96 W C -1.970 174.590 176.519 0.068 0.000 1.240 96 W CA -0.923 56.279 57.345 -0.239 0.000 1.166 96 W CB 0.851 30.184 29.460 -0.213 0.000 1.469 96 W HN 1.016 nan 8.180 nan 0.000 0.579 97 H N -1.492 117.857 119.070 0.464 0.000 3.014 97 H HA 0.458 5.014 4.556 0.001 0.000 0.337 97 H C 0.353 175.900 175.328 0.365 0.000 1.320 97 H CA -1.289 55.003 56.048 0.406 0.000 1.128 97 H CB 1.474 31.513 29.762 0.462 0.000 1.862 97 H HN 0.433 nan 8.280 nan 0.000 0.536 98 K N -0.043 120.627 120.400 0.450 0.000 2.063 98 K HA -0.095 4.226 4.320 0.001 0.000 0.208 98 K C -0.214 176.595 176.600 0.348 0.000 1.048 98 K CA 1.599 58.077 56.287 0.318 0.000 0.928 98 K CB -0.095 32.548 32.500 0.240 0.000 0.713 98 K HN 0.534 nan 8.250 nan 0.000 0.442 99 E N 0.378 120.845 120.200 0.445 0.000 2.383 99 E HA 0.202 4.552 4.350 0.001 0.000 0.264 99 E C -0.609 176.254 176.600 0.439 0.000 1.050 99 E CA -0.201 56.437 56.400 0.396 0.000 0.896 99 E CB 0.847 30.794 29.700 0.412 0.000 0.982 99 E HN 0.225 nan 8.360 nan 0.000 0.424 100 A N 2.292 125.257 122.820 0.241 0.000 2.371 100 A HA 0.286 4.606 4.320 0.001 0.000 0.257 100 A C -0.169 177.402 177.584 -0.022 0.000 1.089 100 A CA -0.265 51.806 52.037 0.057 0.000 0.794 100 A CB 0.404 19.385 19.000 -0.031 0.000 1.029 100 A HN 0.650 nan 8.150 nan 0.000 0.488 101 E N 0.971 121.046 120.200 -0.208 0.000 2.199 101 E HA 0.432 4.782 4.350 0.001 0.000 0.265 101 E C -1.640 174.754 176.600 -0.343 0.000 0.882 101 E CA -0.448 55.775 56.400 -0.296 0.000 0.759 101 E CB 1.048 30.775 29.700 0.046 0.000 1.148 101 E HN 0.676 nan 8.360 nan 0.000 0.412 102 W N 4.255 125.274 121.300 -0.468 0.000 2.689 102 W HA 0.719 5.379 4.660 0.001 0.000 0.340 102 W C -1.592 174.633 176.519 -0.490 0.000 1.060 102 W CA -0.412 56.759 57.345 -0.290 0.000 1.218 102 W CB 1.684 31.094 29.460 -0.083 0.000 1.410 102 W HN 0.582 nan 8.180 nan 0.000 0.528 103 A N 4.438 126.480 122.820 -1.298 0.000 2.515 103 A HA 0.605 4.926 4.320 0.001 0.000 0.298 103 A C -2.628 174.024 177.584 -1.553 0.000 1.059 103 A CA -0.589 50.601 52.037 -1.412 0.000 0.698 103 A CB 1.272 18.996 19.000 -2.126 0.000 1.289 103 A HN 0.746 nan 8.150 nan 0.000 0.404 104 Y N 1.721 121.416 120.300 -1.007 0.000 2.350 104 Y HA 0.633 5.183 4.550 0.001 0.000 0.338 104 Y C -0.349 175.352 175.900 -0.331 0.000 0.961 104 Y CA -1.056 56.680 58.100 -0.607 0.000 1.100 104 Y CB 1.969 40.317 38.460 -0.187 0.000 1.179 104 Y HN 0.677 nan 8.280 nan 0.000 0.454 105 M N 7.772 126.887 119.600 -0.809 0.000 2.094 105 M HA 0.344 4.825 4.480 0.001 0.000 0.348 105 M C -0.795 175.233 176.300 -0.453 0.000 1.267 105 M CA 0.530 55.553 55.300 -0.462 0.000 1.125 105 M CB -0.173 32.185 32.600 -0.403 0.000 1.527 105 M HN 0.828 nan 8.290 nan 0.000 0.447 106 I N 3.627 124.161 120.570 -0.061 0.000 2.270 106 I HA -0.014 4.157 4.170 0.001 0.000 0.239 106 I C 0.013 176.205 176.117 0.125 0.000 1.080 106 I CA 0.597 61.969 61.300 0.119 0.000 1.383 106 I CB -0.055 38.114 38.000 0.281 0.000 1.097 106 I HN 0.607 nan 8.210 nan 0.000 0.420 107 Y N 1.010 121.332 120.300 0.036 0.000 2.429 107 Y HA 0.585 5.135 4.550 0.000 0.000 0.342 107 Y C 0.415 176.333 175.900 0.029 0.000 1.004 107 Y CA -0.236 57.883 58.100 0.031 0.000 1.075 107 Y CB 1.162 39.649 38.460 0.046 0.000 1.214 107 Y HN 0.319 nan 8.280 nan 0.000 0.455 108 G N 2.591 110.808 108.800 -0.971 0.000 2.512 108 G HA2 0.186 4.146 3.960 0.001 0.000 0.240 108 G HA3 0.186 4.146 3.960 0.001 0.000 0.240 108 G C -0.906 173.810 174.900 -0.306 0.000 1.246 108 G CA -0.252 44.409 45.100 -0.732 0.000 0.919 108 G HN 1.765 nan 8.290 nan 0.000 0.577 109 S N -1.390 114.205 115.700 -0.176 0.000 2.552 109 S HA 0.988 5.459 4.470 0.001 0.000 0.272 109 S C -0.481 174.086 174.600 -0.056 0.000 1.150 109 S CA 0.473 58.607 58.200 -0.110 0.000 0.849 109 S CB 1.406 64.538 63.200 -0.113 0.000 1.113 109 S HN 2.725 nan 8.310 nan 0.000 0.458 110 A N 1.100 123.894 122.820 -0.044 0.000 2.612 110 A HA 0.853 5.173 4.320 0.001 0.000 0.293 110 A C -1.064 176.483 177.584 -0.061 0.000 1.075 110 A CA -0.890 51.121 52.037 -0.043 0.000 0.680 110 A CB 1.583 20.558 19.000 -0.042 0.000 1.279 110 A HN 1.008 nan 8.150 nan 0.000 0.411 111 R N 0.610 121.059 120.500 -0.085 0.000 2.407 111 R HA 0.664 5.005 4.340 0.001 0.000 0.303 111 R C -0.748 175.461 176.300 -0.152 0.000 0.981 111 R CA -0.351 55.688 56.100 -0.101 0.000 0.905 111 R CB 1.286 31.531 30.300 -0.092 0.000 1.099 111 R HN 1.070 nan 8.270 nan 0.000 0.459 112 V N 0.556 120.378 119.914 -0.153 0.000 2.667 112 V HA 0.720 4.841 4.120 0.001 0.000 0.308 112 V C -0.267 175.747 176.094 -0.133 0.000 1.048 112 V CA -0.639 61.540 62.300 -0.203 0.000 0.928 112 V CB 1.646 33.324 31.823 -0.243 0.000 1.004 112 V HN 0.933 nan 8.190 nan 0.000 0.444 113 T N 1.819 116.259 114.554 -0.189 0.000 2.908 113 T HA 0.830 5.181 4.350 0.001 0.000 0.290 113 T C -0.773 173.763 174.700 -0.273 0.000 1.034 113 T CA -0.592 61.416 62.100 -0.153 0.000 1.010 113 T CB 1.808 70.598 68.868 -0.131 0.000 1.068 113 T HN 1.321 nan 8.240 nan 0.000 0.481 114 I N 1.777 122.232 120.570 -0.191 0.000 2.680 114 I HA 0.611 4.781 4.170 0.001 0.000 0.291 114 I C -1.842 174.173 176.117 -0.169 0.000 1.244 114 I CA -1.004 60.089 61.300 -0.345 0.000 1.042 114 I CB 1.907 39.510 38.000 -0.662 0.000 1.277 114 I HN 0.625 nan 8.210 nan 0.000 0.423 115 V N 6.711 126.521 119.914 -0.174 0.000 2.459 115 V HA 0.381 4.501 4.120 0.001 0.000 0.295 115 V C -0.373 175.662 176.094 -0.099 0.000 1.029 115 V CA -0.436 61.813 62.300 -0.085 0.000 0.874 115 V CB 1.736 33.517 31.823 -0.070 0.000 0.985 115 V HN 0.860 nan 8.190 nan 0.000 0.438 116 D N 3.744 124.131 120.400 -0.021 0.000 2.511 116 D HA 0.117 4.758 4.640 0.001 0.000 0.276 116 D C 0.966 177.259 176.300 -0.012 0.000 1.220 116 D CA -0.426 53.575 54.000 0.000 0.000 1.077 116 D CB 0.501 41.371 40.800 0.116 0.000 1.126 116 D HN 0.534 nan 8.370 nan 0.000 0.583 117 E N -0.503 119.699 120.200 0.003 0.000 2.489 117 E HA -0.076 4.274 4.350 0.001 0.000 0.193 117 E C 0.294 176.891 176.600 -0.004 0.000 1.057 117 E CA 0.325 56.714 56.400 -0.018 0.000 0.866 117 E CB -0.171 29.519 29.700 -0.016 0.000 0.916 117 E HN 0.446 nan 8.360 nan 0.000 0.500 118 K N 0.650 121.059 120.400 0.015 0.000 2.397 118 K HA 0.198 4.519 4.320 0.001 0.000 0.202 118 K C 0.697 177.304 176.600 0.012 0.000 1.022 118 K CA 0.334 56.629 56.287 0.013 0.000 1.141 118 K CB 0.702 33.216 32.500 0.023 0.000 0.857 118 K HN 0.222 nan 8.250 nan 0.000 0.514 119 G N 2.761 111.565 108.800 0.005 0.000 2.221 119 G HA2 -0.310 3.650 3.960 0.001 0.000 0.265 119 G HA3 -0.310 3.650 3.960 0.001 0.000 0.265 119 G C -0.396 174.517 174.900 0.022 0.000 1.041 119 G CA 0.015 45.117 45.100 0.003 0.000 0.807 119 G HN 0.336 nan 8.290 nan 0.000 0.502 120 R N 0.371 120.898 120.500 0.044 0.000 2.346 120 R HA 0.573 4.913 4.340 0.001 0.000 0.311 120 R C 0.564 176.922 176.300 0.097 0.000 0.983 120 R CA 0.142 56.285 56.100 0.071 0.000 0.880 120 R CB 1.470 31.824 30.300 0.090 0.000 1.100 120 R HN 0.447 nan 8.270 nan 0.000 0.453 121 S N 2.510 118.267 115.700 0.095 0.000 2.608 121 S HA 0.567 5.037 4.470 0.001 0.000 0.291 121 S C -0.674 174.056 174.600 0.216 0.000 1.146 121 S CA -0.721 57.543 58.200 0.107 0.000 1.043 121 S CB 1.188 64.410 63.200 0.037 0.000 1.037 121 S HN 0.541 nan 8.310 nan 0.000 0.520 122 F N 1.604 121.591 119.950 0.062 0.000 2.539 122 F HA 0.729 5.256 4.527 0.001 0.000 0.318 122 F C -1.422 174.407 175.800 0.048 0.000 1.135 122 F CA -0.957 57.115 58.000 0.120 0.000 0.915 122 F CB 1.197 40.388 39.000 0.319 0.000 1.176 122 F HN 0.615 nan 8.300 nan 0.000 0.440 123 I N 5.271 125.539 120.570 -0.503 0.000 2.534 123 I HA 0.410 4.580 4.170 0.001 0.000 0.288 123 I C -1.604 174.184 176.117 -0.548 0.000 1.077 123 I CA -0.527 60.557 61.300 -0.360 0.000 1.051 123 I CB 2.131 40.009 38.000 -0.203 0.000 1.234 123 I HN 0.529 nan 8.210 nan 0.000 0.425 124 D N 3.631 123.832 120.400 -0.332 0.000 2.654 124 D HA 0.352 4.992 4.640 0.001 0.000 0.231 124 D C -1.796 174.454 176.300 -0.084 0.000 1.239 124 D CA -0.354 53.500 54.000 -0.243 0.000 0.790 124 D CB 2.382 43.054 40.800 -0.213 0.000 1.480 124 D HN 0.249 nan 8.370 nan 0.000 0.442 125 D N 0.346 120.708 120.400 -0.064 0.000 2.168 125 D HA 0.517 5.157 4.640 0.001 0.000 0.246 125 D C -0.667 175.623 176.300 -0.016 0.000 1.050 125 D CA -0.213 53.760 54.000 -0.046 0.000 0.857 125 D CB 1.982 42.746 40.800 -0.060 0.000 1.169 125 D HN -0.007 nan 8.370 nan 0.000 0.453 126 V N 1.735 121.643 119.914 -0.010 0.000 2.531 126 V HA 0.703 4.823 4.120 0.001 0.000 0.301 126 V C 0.652 176.706 176.094 -0.067 0.000 1.034 126 V CA -0.576 61.722 62.300 -0.003 0.000 0.865 126 V CB 1.865 33.756 31.823 0.114 0.000 0.995 126 V HN 0.603 nan 8.190 nan 0.000 0.424 127 G N 2.945 111.678 108.800 -0.111 0.000 2.601 127 G HA2 0.571 4.532 3.960 0.001 0.000 0.317 127 G HA3 0.571 4.532 3.960 0.001 0.000 0.317 127 G C -0.489 174.286 174.900 -0.208 0.000 1.246 127 G CA -0.664 44.348 45.100 -0.146 0.000 1.012 127 G HN 0.685 nan 8.290 nan 0.000 0.494 128 E N -0.589 119.484 120.200 -0.211 0.000 2.529 128 E HA 0.307 4.658 4.350 0.001 0.000 0.259 128 E C 1.193 177.622 176.600 -0.284 0.000 0.966 128 E CA 1.292 57.543 56.400 -0.248 0.000 0.937 128 E CB 0.456 30.057 29.700 -0.165 0.000 0.923 128 E HN 1.036 nan 8.360 nan 0.000 0.468 129 G N 2.963 111.484 108.800 -0.466 0.000 2.176 129 G HA2 -0.229 3.731 3.960 0.001 0.000 0.253 129 G HA3 -0.229 3.731 3.960 0.001 0.000 0.253 129 G C -0.173 174.503 174.900 -0.372 0.000 0.979 129 G CA 0.088 44.953 45.100 -0.393 0.000 0.641 129 G HN 0.554 nan 8.290 nan 0.000 0.530 130 D N 0.216 120.363 120.400 -0.420 0.000 2.253 130 D HA 0.685 5.326 4.640 0.001 0.000 0.249 130 D C 0.927 176.990 176.300 -0.395 0.000 1.049 130 D CA -0.107 53.705 54.000 -0.313 0.000 0.929 130 D CB 1.274 41.941 40.800 -0.221 0.000 1.176 130 D HN 0.319 nan 8.370 nan 0.000 0.437 131 L N 0.440 121.476 121.223 -0.312 0.000 2.319 131 L HA 0.691 5.031 4.340 0.001 0.000 0.267 131 L C -0.723 176.010 176.870 -0.229 0.000 1.011 131 L CA -1.154 53.415 54.840 -0.451 0.000 0.818 131 L CB 1.272 43.111 42.059 -0.366 0.000 1.316 131 L HN 0.493 nan 8.230 nan 0.000 0.432 132 W N 0.606 121.691 121.300 -0.358 0.000 2.975 132 W HA 0.684 5.344 4.660 -0.000 0.000 0.342 132 W C -1.951 174.442 176.519 -0.210 0.000 1.168 132 W CA -1.507 55.730 57.345 -0.181 0.000 1.141 132 W CB 0.582 29.786 29.460 -0.427 0.000 1.445 132 W HN 0.337 nan 8.180 nan 0.000 0.560 133 Y N 2.658 123.029 120.300 0.118 0.000 2.361 133 Y HA 0.602 5.152 4.550 -0.000 0.000 0.328 133 Y C -1.967 173.939 175.900 0.011 0.000 1.044 133 Y CA -1.860 56.192 58.100 -0.080 0.000 1.085 133 Y CB 1.047 39.353 38.460 -0.256 0.000 1.194 133 Y HN 0.333 nan 8.280 nan 0.000 0.438 134 F N 7.469 127.222 119.950 -0.328 0.000 2.375 134 F HA 0.519 5.046 4.527 -0.000 0.000 0.361 134 F C -2.311 173.211 175.800 -0.463 0.000 1.117 134 F CA -3.508 54.261 58.000 -0.385 0.000 1.037 134 F CB 0.999 39.656 39.000 -0.572 0.000 1.192 134 F HN 0.365 nan 8.300 nan 0.000 0.452 135 P HA 0.018 nan 4.420 nan 0.000 0.266 135 P C -0.215 177.140 177.300 0.091 0.000 1.193 135 P CA -0.197 62.960 63.100 0.095 0.000 0.770 135 P CB 0.385 32.240 31.700 0.259 0.000 0.836 136 S N 1.649 117.429 115.700 0.132 0.000 2.715 136 S HA 0.136 4.607 4.470 0.001 0.000 0.318 136 S C 1.470 176.160 174.600 0.150 0.000 1.242 136 S CA 0.315 58.626 58.200 0.184 0.000 1.044 136 S CB -1.097 62.206 63.200 0.172 0.000 0.760 136 S HN 1.056 nan 8.310 nan 0.000 0.501 137 G N 2.176 111.090 108.800 0.190 0.000 2.205 137 G HA2 -0.241 3.719 3.960 0.001 0.000 0.261 137 G HA3 -0.241 3.719 3.960 0.001 0.000 0.261 137 G C -0.019 174.890 174.900 0.014 0.000 0.980 137 G CA 0.222 45.399 45.100 0.128 0.000 0.632 137 G HN 0.817 nan 8.290 nan 0.000 0.533 138 L N 2.679 123.913 121.223 0.019 0.000 2.305 138 L HA 0.442 4.783 4.340 0.001 0.000 0.281 138 L C -1.639 175.191 176.870 -0.067 0.000 1.085 138 L CA -2.110 52.682 54.840 -0.080 0.000 0.813 138 L CB 1.230 43.218 42.059 -0.119 0.000 1.157 138 L HN -0.016 nan 8.230 nan 0.000 0.436 139 P HA 0.232 nan 4.420 nan 0.000 0.278 139 P C -1.321 175.774 177.300 -0.342 0.000 1.238 139 P CA 0.058 63.032 63.100 -0.211 0.000 0.794 139 P CB 1.010 32.609 31.700 -0.168 0.000 0.955 140 H N -0.714 118.042 119.070 -0.524 0.000 2.981 140 H HA 0.670 5.226 4.556 -0.000 0.000 0.327 140 H C -1.269 173.734 175.328 -0.542 0.000 1.342 140 H CA -0.965 54.645 56.048 -0.730 0.000 1.123 140 H CB 1.120 30.033 29.762 -1.416 0.000 1.851 140 H HN 0.512 nan 8.280 nan 0.000 0.531 141 S N 0.337 115.848 115.700 -0.316 0.000 2.618 141 S HA 0.734 5.205 4.470 0.001 0.000 0.277 141 S C -1.184 173.322 174.600 -0.157 0.000 1.138 141 S CA -0.861 57.239 58.200 -0.166 0.000 0.844 141 S CB 1.902 65.035 63.200 -0.111 0.000 1.127 141 S HN 0.551 nan 8.310 nan 0.000 0.474 142 I N 1.023 121.549 120.570 -0.074 0.000 2.533 142 I HA 0.528 4.699 4.170 0.001 0.000 0.290 142 I C -0.702 175.364 176.117 -0.084 0.000 1.056 142 I CA -0.273 60.954 61.300 -0.121 0.000 1.057 142 I CB 2.222 40.193 38.000 -0.048 0.000 1.240 142 I HN 0.776 nan 8.210 nan 0.000 0.423 143 Q N 4.766 124.505 119.800 -0.102 0.000 2.292 143 Q HA 0.766 5.107 4.340 0.001 0.000 0.270 143 Q C -1.195 174.770 176.000 -0.059 0.000 1.024 143 Q CA -0.735 55.013 55.803 -0.093 0.000 0.768 143 Q CB 2.186 30.860 28.738 -0.106 0.000 1.250 143 Q HN 0.819 nan 8.270 nan 0.000 0.447 144 A N 4.353 127.158 122.820 -0.025 0.000 2.371 144 A HA 0.460 4.780 4.320 0.001 0.000 0.257 144 A C -0.193 177.380 177.584 -0.018 0.000 1.089 144 A CA -0.360 51.680 52.037 0.005 0.000 0.794 144 A CB 0.329 19.359 19.000 0.050 0.000 1.029 144 A HN 0.853 nan 8.150 nan 0.000 0.488 145 L N 0.754 121.964 121.223 -0.022 0.000 2.855 145 L HA 0.236 4.576 4.340 0.001 0.000 0.204 145 L C 2.249 179.110 176.870 -0.015 0.000 1.206 145 L CA -0.467 54.356 54.840 -0.029 0.000 0.942 145 L CB -0.057 41.976 42.059 -0.043 0.000 1.832 145 L HN 0.977 nan 8.230 nan 0.000 0.522 146 E N 0.175 120.365 120.200 -0.018 0.000 2.209 146 E HA -0.233 4.118 4.350 0.001 0.000 0.196 146 E C 1.114 177.722 176.600 0.013 0.000 0.993 146 E CA 1.472 57.871 56.400 -0.003 0.000 0.819 146 E CB -0.213 29.482 29.700 -0.009 0.000 0.745 146 E HN 0.512 nan 8.360 nan 0.000 0.477 147 E N 1.048 121.245 120.200 -0.005 0.000 2.478 147 E HA 0.147 4.498 4.350 0.001 0.000 0.194 147 E C 1.059 177.735 176.600 0.127 0.000 1.045 147 E CA 0.699 57.115 56.400 0.026 0.000 0.868 147 E CB 0.207 29.838 29.700 -0.114 0.000 0.885 147 E HN 0.429 nan 8.360 nan 0.000 0.505 148 G N 1.075 109.929 108.800 0.091 0.000 2.693 148 G HA2 -0.017 3.943 3.960 0.001 0.000 0.226 148 G HA3 -0.017 3.943 3.960 0.001 0.000 0.226 148 G C -0.468 174.522 174.900 0.151 0.000 1.354 148 G CA -0.308 44.879 45.100 0.144 0.000 0.873 148 G HN 0.585 nan 8.290 nan 0.000 0.562 149 A N -0.575 122.389 122.820 0.240 0.000 2.566 149 A HA 0.841 5.162 4.320 0.001 0.000 0.297 149 A C -0.618 177.177 177.584 0.352 0.000 1.059 149 A CA 0.816 53.031 52.037 0.297 0.000 0.691 149 A CB 1.904 21.077 19.000 0.288 0.000 1.282 149 A HN 1.586 nan 8.150 nan 0.000 0.401 150 E N 0.955 121.389 120.200 0.390 0.000 2.278 150 E HA 0.720 5.070 4.350 0.001 0.000 0.272 150 E C -1.519 175.182 176.600 0.167 0.000 0.890 150 E CA -0.519 55.946 56.400 0.108 0.000 0.770 150 E CB 1.315 31.045 29.700 0.051 0.000 1.212 150 E HN 0.962 nan 8.360 nan 0.000 0.415 151 F N 1.983 121.925 119.950 -0.013 0.000 2.686 151 F HA 0.582 5.109 4.527 0.000 0.000 0.311 151 F C -2.116 173.622 175.800 -0.104 0.000 1.128 151 F CA -1.334 56.618 58.000 -0.080 0.000 0.946 151 F CB 0.844 39.742 39.000 -0.170 0.000 1.336 151 F HN 0.313 nan 8.300 nan 0.000 0.457 152 L N 2.999 124.255 121.223 0.055 0.000 2.296 152 L HA 0.699 5.039 4.340 0.001 0.000 0.286 152 L C -1.430 175.452 176.870 0.019 0.000 1.023 152 L CA -0.425 54.395 54.840 -0.033 0.000 0.812 152 L CB 1.299 43.334 42.059 -0.041 0.000 1.223 152 L HN 0.709 nan 8.230 nan 0.000 0.421 153 L N 5.650 126.884 121.223 0.020 0.000 2.325 153 L HA 0.708 5.049 4.340 0.001 0.000 0.278 153 L C -0.849 175.868 176.870 -0.255 0.000 1.023 153 L CA -0.927 53.834 54.840 -0.133 0.000 0.811 153 L CB 1.951 44.007 42.059 -0.006 0.000 1.249 153 L HN 0.318 nan 8.230 nan 0.000 0.431 154 V N 2.411 122.046 119.914 -0.465 0.000 2.656 154 V HA 0.503 4.624 4.120 0.001 0.000 0.307 154 V C -0.830 174.778 176.094 -0.810 0.000 1.051 154 V CA -0.537 61.436 62.300 -0.545 0.000 0.893 154 V CB 1.927 33.488 31.823 -0.437 0.000 0.999 154 V HN 0.379 nan 8.190 nan 0.000 0.426 155 F N 2.107 121.813 119.950 -0.407 0.000 2.520 155 F HA 0.422 4.950 4.527 0.000 0.000 0.322 155 F C 0.715 176.375 175.800 -0.233 0.000 1.103 155 F CA -1.071 56.710 58.000 -0.364 0.000 0.926 155 F CB 1.616 40.183 39.000 -0.722 0.000 1.154 155 F HN 0.675 nan 8.300 nan 0.000 0.453 156 D N -0.356 120.075 120.400 0.050 0.000 2.400 156 D HA 0.006 4.646 4.640 0.001 0.000 0.243 156 D C -0.544 175.798 176.300 0.070 0.000 1.184 156 D CA 0.311 54.332 54.000 0.034 0.000 0.853 156 D CB -0.286 40.551 40.800 0.061 0.000 0.944 156 D HN 0.313 nan 8.370 nan 0.000 0.501 157 D N -1.086 119.370 120.400 0.093 0.000 2.936 157 D HA 0.334 4.974 4.640 0.001 0.000 0.238 157 D C 1.173 177.520 176.300 0.079 0.000 1.248 157 D CA -0.785 53.268 54.000 0.088 0.000 0.903 157 D CB 1.760 42.633 40.800 0.123 0.000 1.544 157 D HN 0.004 nan 8.370 nan 0.000 0.543 158 G N 1.514 110.330 108.800 0.028 0.000 2.598 158 G HA2 -0.118 3.842 3.960 0.001 0.000 0.215 158 G HA3 -0.118 3.842 3.960 0.001 0.000 0.215 158 G C 1.132 176.045 174.900 0.022 0.000 1.131 158 G CA 0.247 45.351 45.100 0.006 0.000 0.785 158 G HN 0.432 nan 8.290 nan 0.000 0.539 159 S N -0.201 115.519 115.700 0.034 0.000 2.562 159 S HA 0.190 4.661 4.470 0.001 0.000 0.221 159 S C 0.654 175.260 174.600 0.009 0.000 0.975 159 S CA -0.841 57.362 58.200 0.006 0.000 0.918 159 S CB -0.220 62.976 63.200 -0.007 0.000 0.772 159 S HN 0.399 nan 8.310 nan 0.000 0.531 160 F N 3.193 123.081 119.950 -0.104 0.000 2.637 160 F HA 0.072 4.598 4.527 -0.002 0.000 0.372 160 F C 0.516 176.201 175.800 -0.192 0.000 1.107 160 F CA 0.308 58.198 58.000 -0.183 0.000 1.325 160 F CB 0.432 39.270 39.000 -0.270 0.000 1.016 160 F HN -0.027 nan 8.300 nan 0.000 0.593 161 S N 5.228 120.296 115.700 -1.053 0.000 2.707 161 S HA 0.637 5.108 4.470 0.001 0.000 0.303 161 S C 0.415 174.357 174.600 -1.097 0.000 1.132 161 S CA -0.337 57.404 58.200 -0.765 0.000 1.046 161 S CB 1.211 64.134 63.200 -0.461 0.000 1.004 161 S HN 1.099 nan 8.310 nan 0.000 0.483 162 A N 4.800 127.276 122.820 -0.574 0.000 1.978 162 A HA -0.082 4.239 4.320 0.001 0.000 0.220 162 A C 1.744 179.186 177.584 -0.237 0.000 1.170 162 A CA 1.927 53.823 52.037 -0.235 0.000 0.636 162 A CB -0.913 18.188 19.000 0.168 0.000 0.810 162 A HN 0.823 nan 8.150 nan 0.000 0.448 163 N N 0.215 118.739 118.700 -0.294 0.000 2.459 163 N HA -0.029 4.712 4.740 0.001 0.000 0.181 163 N C 0.615 175.924 175.510 -0.335 0.000 1.046 163 N CA 1.129 53.994 53.050 -0.309 0.000 0.904 163 N CB 0.005 38.330 38.487 -0.270 0.000 0.964 163 N HN 0.391 nan 8.380 nan 0.000 0.444 164 S N -0.520 114.929 115.700 -0.419 0.000 2.552 164 S HA 0.104 4.575 4.470 0.001 0.000 0.246 164 S C 0.339 174.634 174.600 -0.509 0.000 1.019 164 S CA -0.604 57.322 58.200 -0.457 0.000 1.045 164 S CB -0.380 62.553 63.200 -0.446 0.000 0.784 164 S HN 0.280 nan 8.310 nan 0.000 0.453 165 T N -0.215 114.123 114.554 -0.360 0.000 2.868 165 T HA 0.554 4.905 4.350 0.001 0.000 0.292 165 T C -0.268 174.175 174.700 -0.427 0.000 1.028 165 T CA -0.472 61.501 62.100 -0.212 0.000 1.059 165 T CB 0.124 68.983 68.868 -0.016 0.000 0.991 165 T HN 0.129 nan 8.240 nan 0.000 0.531 166 F N 1.515 121.121 119.950 -0.573 0.000 2.404 166 F HA 0.387 4.914 4.527 -0.002 0.000 0.358 166 F C 0.976 176.344 175.800 -0.720 0.000 1.120 166 F CA -0.475 56.919 58.000 -1.010 0.000 1.144 166 F CB 1.030 38.613 39.000 -2.360 0.000 1.133 166 F HN 0.525 nan 8.300 nan 0.000 0.495 167 Q N 2.584 122.288 119.800 -0.161 0.000 2.345 167 Q HA 0.298 4.638 4.340 0.001 0.000 0.268 167 Q C 0.750 176.941 176.000 0.318 0.000 1.054 167 Q CA -0.931 54.949 55.803 0.129 0.000 0.835 167 Q CB 2.562 31.384 28.738 0.141 0.000 1.339 167 Q HN 0.659 nan 8.270 nan 0.000 0.447 168 L N 2.042 123.503 121.223 0.396 0.000 1.997 168 L HA -0.266 4.074 4.340 0.001 0.000 0.216 168 L C 2.129 179.193 176.870 0.324 0.000 1.074 168 L CA 3.046 58.142 54.840 0.428 0.000 0.763 168 L CB -0.899 41.334 42.059 0.291 0.000 0.890 168 L HN 1.000 nan 8.230 nan 0.000 0.434 169 T N -4.324 110.357 114.554 0.211 0.000 2.857 169 T HA -0.152 4.198 4.350 0.001 0.000 0.266 169 T C 1.783 176.583 174.700 0.166 0.000 1.048 169 T CA 1.020 63.197 62.100 0.130 0.000 1.139 169 T CB -0.651 68.244 68.868 0.045 0.000 0.874 169 T HN 0.409 nan 8.240 nan 0.000 0.455 170 D N 0.070 120.599 120.400 0.216 0.000 2.117 170 D HA -0.108 4.533 4.640 0.001 0.000 0.197 170 D C 1.618 178.177 176.300 0.431 0.000 0.987 170 D CA 0.849 55.011 54.000 0.271 0.000 0.829 170 D CB -0.527 40.381 40.800 0.181 0.000 0.961 170 D HN 0.462 nan 8.370 nan 0.000 0.460 171 W N 1.402 122.824 121.300 0.204 0.000 2.315 171 W HA -0.160 4.502 4.660 0.004 0.000 0.323 171 W C 2.088 178.729 176.519 0.204 0.000 1.233 171 W CA 1.285 58.779 57.345 0.249 0.000 1.267 171 W CB -1.023 28.643 29.460 0.345 0.000 1.160 171 W HN 0.057 nan 8.180 nan 0.000 0.474 172 L N 0.568 121.915 121.223 0.206 0.000 2.083 172 L HA -0.170 4.171 4.340 0.001 0.000 0.209 172 L C 2.613 179.493 176.870 0.018 0.000 1.083 172 L CA 1.393 56.236 54.840 0.005 0.000 0.752 172 L CB -1.408 40.637 42.059 -0.023 0.000 0.899 172 L HN 0.028 nan 8.230 nan 0.000 0.433 173 A N -0.775 122.055 122.820 0.016 0.000 2.067 173 A HA -0.187 4.134 4.320 0.001 0.000 0.219 173 A C 1.407 178.784 177.584 -0.346 0.000 1.158 173 A CA 1.317 53.251 52.037 -0.171 0.000 0.661 173 A CB -0.694 18.170 19.000 -0.226 0.000 0.801 173 A HN 0.533 nan 8.150 nan 0.000 0.452 174 H N -1.153 117.991 119.070 0.123 0.000 2.528 174 H HA 0.255 4.812 4.556 0.002 0.000 0.282 174 H C -0.540 174.878 175.328 0.150 0.000 1.097 174 H CA 0.257 56.383 56.048 0.129 0.000 1.121 174 H CB 0.521 30.366 29.762 0.137 0.000 1.590 174 H HN 0.224 nan 8.280 nan 0.000 0.553 175 T N 1.951 116.604 114.554 0.165 0.000 2.823 175 T HA 0.272 4.622 4.350 0.001 0.000 0.279 175 T C -2.478 172.252 174.700 0.049 0.000 0.998 175 T CA -1.724 60.445 62.100 0.115 0.000 0.994 175 T CB 1.837 70.720 68.868 0.026 0.000 0.960 175 T HN -0.037 nan 8.240 nan 0.000 0.448 176 P HA 0.119 nan 4.420 nan 0.000 0.265 176 P C 0.914 178.220 177.300 0.009 0.000 1.193 176 P CA -0.309 62.807 63.100 0.027 0.000 0.765 176 P CB 0.616 32.334 31.700 0.030 0.000 0.823 177 K N 2.964 123.366 120.400 0.003 0.000 2.152 177 K HA -0.180 4.140 4.320 0.001 0.000 0.206 177 K C 1.585 178.188 176.600 0.004 0.000 1.048 177 K CA 1.695 57.981 56.287 -0.001 0.000 0.933 177 K CB -0.144 32.352 32.500 -0.007 0.000 0.721 177 K HN 0.659 nan 8.250 nan 0.000 0.447 178 E N 0.288 120.491 120.200 0.004 0.000 2.150 178 E HA -0.096 4.254 4.350 0.001 0.000 0.193 178 E C 1.902 178.502 176.600 -0.001 0.000 0.985 178 E CA 0.927 57.329 56.400 0.003 0.000 0.814 178 E CB -0.294 29.408 29.700 0.003 0.000 0.752 178 E HN -0.067 nan 8.360 nan 0.000 0.466 179 V N 1.762 121.674 119.914 -0.004 0.000 2.488 179 V HA -0.181 3.939 4.120 0.001 0.000 0.246 179 V C 2.346 178.418 176.094 -0.037 0.000 1.046 179 V CA 1.216 63.504 62.300 -0.020 0.000 1.053 179 V CB -0.392 31.425 31.823 -0.011 0.000 0.679 179 V HN 0.276 nan 8.190 nan 0.000 0.458 180 I N 0.752 121.315 120.570 -0.012 0.000 2.179 180 I HA -0.219 3.952 4.170 0.001 0.000 0.242 180 I C 2.773 178.955 176.117 0.108 0.000 1.088 180 I CA 1.509 62.830 61.300 0.035 0.000 1.357 180 I CB -0.767 37.267 38.000 0.056 0.000 1.051 180 I HN 0.288 nan 8.210 nan 0.000 0.409 181 A N 1.080 123.941 122.820 0.069 0.000 1.892 181 A HA -0.249 4.072 4.320 0.001 0.000 0.218 181 A C 2.550 180.164 177.584 0.049 0.000 1.188 181 A CA 2.333 54.411 52.037 0.069 0.000 0.631 181 A CB -0.904 18.114 19.000 0.031 0.000 0.822 181 A HN 0.472 nan 8.150 nan 0.000 0.447 182 A N -0.156 122.665 122.820 0.002 0.000 1.898 182 A HA -0.192 4.128 4.320 0.001 0.000 0.216 182 A C 1.941 179.478 177.584 -0.079 0.000 1.181 182 A CA 1.991 54.012 52.037 -0.028 0.000 0.620 182 A CB -0.800 18.180 19.000 -0.033 0.000 0.819 182 A HN 0.626 nan 8.150 nan 0.000 0.442 183 N N -1.652 116.952 118.700 -0.161 0.000 2.192 183 N HA -0.147 4.593 4.740 0.001 0.000 0.188 183 N C 0.907 176.130 175.510 -0.478 0.000 1.013 183 N CA 1.794 54.619 53.050 -0.375 0.000 0.863 183 N CB -0.245 37.887 38.487 -0.592 0.000 0.990 183 N HN 0.413 nan 8.380 nan 0.000 0.430 184 F N -1.490 118.425 119.950 -0.060 0.000 2.720 184 F HA 0.385 4.912 4.527 0.000 0.000 0.301 184 F C 1.602 177.377 175.800 -0.042 0.000 1.103 184 F CA 0.442 58.408 58.000 -0.055 0.000 1.291 184 F CB 0.333 39.294 39.000 -0.065 0.000 1.086 184 F HN 0.025 nan 8.300 nan 0.000 0.592 185 G N 1.679 110.541 108.800 0.103 0.000 2.212 185 G HA2 -0.112 3.848 3.960 0.001 0.000 0.255 185 G HA3 -0.112 3.848 3.960 0.001 0.000 0.255 185 G C -0.118 174.818 174.900 0.060 0.000 1.062 185 G CA 0.231 45.365 45.100 0.058 0.000 0.815 185 G HN 0.566 nan 8.290 nan 0.000 0.497 186 V N -3.255 116.702 119.914 0.071 0.000 3.181 186 V HA 0.993 5.114 4.120 0.001 0.000 0.314 186 V C 0.591 176.701 176.094 0.026 0.000 1.173 186 V CA -0.036 62.288 62.300 0.040 0.000 1.052 186 V CB 1.648 33.489 31.823 0.030 0.000 1.123 186 V HN 1.250 nan 8.190 nan 0.000 0.454 187 T N -1.601 112.959 114.554 0.009 0.000 2.918 187 T HA 0.444 4.795 4.350 0.001 0.000 0.283 187 T C 0.699 175.400 174.700 0.001 0.000 1.001 187 T CA -0.204 61.898 62.100 0.004 0.000 1.041 187 T CB 1.339 70.206 68.868 -0.002 0.000 1.028 187 T HN 0.772 nan 8.240 nan 0.000 0.511 188 K N 0.666 121.066 120.400 0.000 0.000 2.113 188 K HA -0.159 4.162 4.320 0.001 0.000 0.208 188 K C 2.139 178.732 176.600 -0.012 0.000 1.047 188 K CA 1.874 58.159 56.287 -0.004 0.000 0.928 188 K CB -0.149 32.349 32.500 -0.004 0.000 0.716 188 K HN 0.669 nan 8.250 nan 0.000 0.446 189 E N 0.902 121.095 120.200 -0.012 0.000 2.110 189 E HA -0.164 4.187 4.350 0.001 0.000 0.193 189 E C 1.528 178.115 176.600 -0.022 0.000 0.988 189 E CA 1.091 57.482 56.400 -0.016 0.000 0.804 189 E CB -0.035 29.657 29.700 -0.013 0.000 0.745 189 E HN 0.303 nan 8.360 nan 0.000 0.458 190 E N -0.036 120.150 120.200 -0.022 0.000 2.396 190 E HA -0.133 4.217 4.350 0.001 0.000 0.200 190 E C 1.240 177.812 176.600 -0.047 0.000 1.023 190 E CA 0.969 57.350 56.400 -0.032 0.000 0.857 190 E CB -0.130 29.552 29.700 -0.030 0.000 0.775 190 E HN 0.509 nan 8.360 nan 0.000 0.525 191 I N -3.430 117.115 120.570 -0.042 0.000 3.966 191 I HA 0.187 4.358 4.170 0.001 0.000 0.324 191 I C 1.437 177.527 176.117 -0.046 0.000 1.517 191 I CA -0.217 61.050 61.300 -0.054 0.000 1.117 191 I CB 0.727 38.696 38.000 -0.053 0.000 1.190 191 I HN -0.137 nan 8.210 nan 0.000 0.466 192 S N 0.480 116.157 115.700 -0.037 0.000 2.447 192 S HA -0.112 4.359 4.470 0.001 0.000 0.233 192 S C 1.545 176.122 174.600 -0.038 0.000 1.006 192 S CA 1.416 59.596 58.200 -0.033 0.000 0.957 192 S CB -0.671 62.513 63.200 -0.026 0.000 0.773 192 S HN 0.575 nan 8.310 nan 0.000 0.507 193 N N 0.826 119.500 118.700 -0.043 0.000 2.449 193 N HA 0.246 4.986 4.740 0.001 0.000 0.191 193 N C -0.173 175.303 175.510 -0.056 0.000 1.161 193 N CA -0.117 52.905 53.050 -0.046 0.000 0.863 193 N CB -0.599 37.861 38.487 -0.045 0.000 0.980 193 N HN 0.464 nan 8.380 nan 0.000 0.458 194 L N 1.539 122.726 121.223 -0.060 0.000 2.525 194 L HA 0.094 4.435 4.340 0.001 0.000 0.278 194 L C -1.567 175.266 176.870 -0.062 0.000 1.218 194 L CA -1.296 53.505 54.840 -0.065 0.000 0.878 194 L CB -0.131 41.890 42.059 -0.063 0.000 1.127 194 L HN 0.087 nan 8.230 nan 0.000 0.492 195 P HA -0.023 nan 4.420 nan 0.000 0.265 195 P C 0.599 177.863 177.300 -0.060 0.000 1.187 195 P CA 0.135 63.196 63.100 -0.065 0.000 0.766 195 P CB 0.659 32.313 31.700 -0.077 0.000 0.820 196 G N 1.812 110.577 108.800 -0.057 0.000 2.777 196 G HA2 0.022 3.982 3.960 0.001 0.000 0.211 196 G HA3 0.022 3.982 3.960 0.001 0.000 0.211 196 G C 0.174 175.031 174.900 -0.072 0.000 1.149 196 G CA 0.102 45.159 45.100 -0.071 0.000 0.785 196 G HN 0.599 nan 8.290 nan 0.000 0.536 197 K N 0.291 120.672 120.400 -0.033 0.000 2.533 197 K HA 0.433 4.754 4.320 0.001 0.000 0.272 197 K C -0.525 176.092 176.600 0.028 0.000 0.985 197 K CA -1.002 55.291 56.287 0.011 0.000 0.876 197 K CB 1.246 33.756 32.500 0.018 0.000 1.452 197 K HN 0.129 nan 8.250 nan 0.000 0.439 198 E N 1.209 121.448 120.200 0.066 0.000 2.458 198 E HA -0.045 4.306 4.350 0.001 0.000 0.264 198 E C -0.240 176.404 176.600 0.073 0.000 1.097 198 E CA -0.092 56.358 56.400 0.084 0.000 0.973 198 E CB 0.741 30.500 29.700 0.099 0.000 0.963 198 E HN 0.602 nan 8.360 nan 0.000 0.451 199 K N 0.873 121.327 120.400 0.090 0.000 2.240 199 K HA -0.039 4.281 4.320 0.001 0.000 0.202 199 K C 0.421 177.213 176.600 0.320 0.000 1.053 199 K CA 0.562 56.907 56.287 0.097 0.000 0.973 199 K CB -0.109 32.290 32.500 -0.168 0.000 0.924 199 K HN 0.674 nan 8.250 nan 0.000 0.477 200 Y N -0.008 120.410 120.300 0.196 0.000 2.762 200 Y HA -0.367 4.183 4.550 0.000 0.000 0.475 200 Y C -0.529 175.520 175.900 0.248 0.000 1.163 200 Y CA 1.423 59.630 58.100 0.179 0.000 2.761 200 Y CB -0.750 37.772 38.460 0.104 0.000 1.095 200 Y HN -0.010 nan 8.280 nan 0.000 0.592 201 I N 1.174 121.895 120.570 0.251 0.000 2.533 201 I HA 0.474 4.645 4.170 0.001 0.000 0.290 201 I C -1.322 174.983 176.117 0.313 0.000 1.056 201 I CA -0.647 60.730 61.300 0.127 0.000 1.057 201 I CB 1.820 39.844 38.000 0.039 0.000 1.240 201 I HN 0.203 nan 8.210 nan 0.000 0.423 202 F N 3.019 122.998 119.950 0.050 0.000 2.608 202 F HA 0.567 5.094 4.527 0.000 0.000 0.309 202 F C -0.402 175.423 175.800 0.043 0.000 1.103 202 F CA -1.155 56.877 58.000 0.054 0.000 0.954 202 F CB 0.789 39.821 39.000 0.053 0.000 1.267 202 F HN 0.249 nan 8.300 nan 0.000 0.444 203 E N 2.575 122.862 120.200 0.145 0.000 2.414 203 E HA 0.112 4.463 4.350 0.001 0.000 0.263 203 E C -0.836 175.815 176.600 0.084 0.000 1.000 203 E CA 0.244 56.683 56.400 0.064 0.000 0.914 203 E CB 0.799 30.550 29.700 0.084 0.000 0.948 203 E HN 0.737 nan 8.360 nan 0.000 0.444 204 N N 1.477 120.179 118.700 0.005 0.000 2.484 204 N HA -0.006 4.734 4.740 0.001 0.000 0.269 204 N C -1.123 174.392 175.510 0.009 0.000 1.237 204 N CA -0.510 52.560 53.050 0.033 0.000 0.838 204 N CB 2.249 40.724 38.487 -0.021 0.000 1.593 204 N HN 0.390 nan 8.380 nan 0.000 0.485 205 Q N 1.932 121.747 119.800 0.024 0.000 2.349 205 Q HA 0.098 4.439 4.340 0.001 0.000 0.287 205 Q C -0.136 175.861 176.000 -0.005 0.000 1.044 205 Q CA 0.061 55.871 55.803 0.012 0.000 0.918 205 Q CB 0.569 29.316 28.738 0.016 0.000 1.242 205 Q HN 0.476 nan 8.270 nan 0.000 0.405 206 L N 6.428 127.646 121.223 -0.008 0.000 2.593 206 L HA -0.024 4.316 4.340 0.001 0.000 0.287 206 L C -1.613 175.246 176.870 -0.018 0.000 1.243 206 L CA -0.810 54.021 54.840 -0.016 0.000 0.890 206 L CB -0.272 41.780 42.059 -0.012 0.000 1.134 206 L HN 0.684 nan 8.230 nan 0.000 0.502 207 P HA 0.182 nan 4.420 nan 0.000 0.277 207 P C -0.128 177.156 177.300 -0.027 0.000 1.271 207 P CA -0.462 62.622 63.100 -0.028 0.000 0.795 207 P CB 0.639 32.316 31.700 -0.039 0.000 1.101 208 G N -0.304 108.480 108.800 -0.027 0.000 2.563 208 G HA2 0.244 4.204 3.960 0.001 0.000 0.283 208 G HA3 0.244 4.204 3.960 0.001 0.000 0.283 208 G C -0.186 174.694 174.900 -0.034 0.000 1.309 208 G CA -0.464 44.620 45.100 -0.027 0.000 1.022 208 G HN 0.495 nan 8.290 nan 0.000 0.501 209 S N -0.947 114.733 115.700 -0.033 0.000 2.559 209 S HA -0.066 4.404 4.470 0.001 0.000 0.282 209 S C 1.619 176.191 174.600 -0.047 0.000 1.336 209 S CA -0.380 57.797 58.200 -0.038 0.000 1.037 209 S CB 0.814 63.994 63.200 -0.033 0.000 0.853 209 S HN 0.579 nan 8.310 nan 0.000 0.523 210 L N 4.400 125.590 121.223 -0.055 0.000 2.083 210 L HA -0.119 4.221 4.340 0.001 0.000 0.209 210 L C 2.235 179.062 176.870 -0.070 0.000 1.083 210 L CA 1.845 56.643 54.840 -0.070 0.000 0.752 210 L CB -0.681 41.329 42.059 -0.081 0.000 0.899 210 L HN 0.826 nan 8.230 nan 0.000 0.433 211 K N -1.658 118.707 120.400 -0.058 0.000 2.283 211 K HA -0.145 4.176 4.320 0.001 0.000 0.202 211 K C 1.062 177.634 176.600 -0.047 0.000 1.048 211 K CA 1.552 57.807 56.287 -0.054 0.000 0.948 211 K CB -0.475 31.999 32.500 -0.043 0.000 0.742 211 K HN 0.311 nan 8.250 nan 0.000 0.458 212 D N 1.175 121.550 120.400 -0.043 0.000 2.347 212 D HA -0.056 4.584 4.640 0.001 0.000 0.213 212 D C 0.702 176.978 176.300 -0.040 0.000 0.985 212 D CA 0.687 54.665 54.000 -0.036 0.000 0.879 212 D CB 0.162 40.944 40.800 -0.031 0.000 0.919 212 D HN 0.299 nan 8.370 nan 0.000 0.526 213 D N -0.067 120.303 120.400 -0.050 0.000 2.301 213 D HA 0.008 4.649 4.640 0.001 0.000 0.206 213 D C 0.697 176.961 176.300 -0.060 0.000 0.979 213 D CA -0.102 53.866 54.000 -0.055 0.000 0.874 213 D CB 0.407 41.167 40.800 -0.065 0.000 0.968 213 D HN 0.053 nan 8.370 nan 0.000 0.510 214 I N 2.068 122.598 120.570 -0.068 0.000 2.943 214 I HA -0.109 4.061 4.170 0.001 0.000 0.296 214 I C 0.219 176.307 176.117 -0.047 0.000 1.220 214 I CA 0.205 61.462 61.300 -0.071 0.000 1.409 214 I CB -0.604 37.353 38.000 -0.070 0.000 1.374 214 I HN -0.255 nan 8.210 nan 0.000 0.545 215 V N 7.649 127.538 119.914 -0.041 0.000 2.348 215 V HA 0.158 4.278 4.120 0.001 0.000 0.270 215 V C 0.606 176.692 176.094 -0.013 0.000 1.037 215 V CA -0.824 61.461 62.300 -0.025 0.000 0.872 215 V CB 1.006 32.816 31.823 -0.022 0.000 1.002 215 V HN 0.569 nan 8.190 nan 0.000 0.464 216 E N 3.102 123.296 120.200 -0.011 0.000 2.398 216 E HA 0.531 4.881 4.350 0.001 0.000 0.263 216 E C 0.408 177.008 176.600 -0.000 0.000 1.046 216 E CA 0.261 56.658 56.400 -0.005 0.000 0.908 216 E CB 1.567 31.263 29.700 -0.007 0.000 0.963 216 E HN 0.859 nan 8.360 nan 0.000 0.431 217 G N 1.913 110.716 108.800 0.005 0.000 2.696 217 G HA2 0.384 4.344 3.960 0.001 0.000 0.295 217 G HA3 0.384 4.344 3.960 0.001 0.000 0.295 217 G C -1.915 172.989 174.900 0.007 0.000 1.398 217 G CA -0.997 44.107 45.100 0.007 0.000 0.920 217 G HN 0.330 nan 8.290 nan 0.000 0.492 218 P HA -0.058 nan 4.420 nan 0.000 0.228 218 P C 0.566 177.870 177.300 0.006 0.000 1.151 218 P CA 0.779 63.881 63.100 0.004 0.000 0.770 218 P CB 0.376 32.077 31.700 0.003 0.000 0.786 219 N N -0.758 117.948 118.700 0.010 0.000 2.236 219 N HA 0.308 5.049 4.740 0.001 0.000 0.196 219 N C 0.581 176.100 175.510 0.016 0.000 1.114 219 N CA 0.695 53.752 53.050 0.013 0.000 0.859 219 N CB 0.613 39.109 38.487 0.015 0.000 0.982 219 N HN 0.177 nan 8.380 nan 0.000 0.493 220 G N -0.238 108.572 108.800 0.017 0.000 2.662 220 G HA2 0.089 4.049 3.960 0.001 0.000 0.686 220 G HA3 0.089 4.049 3.960 0.001 0.000 0.686 220 G C -0.486 174.434 174.900 0.033 0.000 1.271 220 G CA -0.518 44.592 45.100 0.017 0.000 0.816 220 G HN 0.296 nan 8.290 nan 0.000 0.608 221 E N -0.132 120.087 120.200 0.031 0.000 2.415 221 E HA 0.615 4.965 4.350 0.001 0.000 0.262 221 E C 1.363 177.996 176.600 0.054 0.000 1.038 221 E CA 0.185 56.618 56.400 0.055 0.000 0.921 221 E CB 0.777 30.499 29.700 0.038 0.000 0.950 221 E HN 2.288 nan 8.360 nan 0.000 0.438 222 V N 0.153 120.134 119.914 0.111 0.000 2.811 222 V HA 0.321 4.441 4.120 0.001 0.000 0.302 222 V C -1.111 174.953 176.094 -0.050 0.000 1.063 222 V CA -0.535 61.813 62.300 0.080 0.000 1.088 222 V CB 1.078 33.017 31.823 0.193 0.000 0.982 222 V HN 0.757 nan 8.190 nan 0.000 0.485 223 P HA 0.027 nan 4.420 nan 0.000 0.221 223 P C -0.247 176.620 177.300 -0.721 0.000 1.150 223 P CA 1.195 64.044 63.100 -0.420 0.000 0.800 223 P CB -0.000 31.447 31.700 -0.422 0.000 0.787 224 Y N 0.022 120.212 120.300 -0.183 0.000 2.457 224 Y HA 0.391 4.941 4.550 0.001 0.000 0.343 224 Y C -2.192 173.401 175.900 -0.511 0.000 0.994 224 Y CA -2.889 55.058 58.100 -0.254 0.000 1.031 224 Y CB 1.758 40.075 38.460 -0.237 0.000 1.246 224 Y HN -0.182 nan 8.280 nan 0.000 0.449 225 P HA 0.054 nan 4.420 nan 0.000 0.269 225 P C -0.278 176.665 177.300 -0.595 0.000 1.215 225 P CA 0.092 62.932 63.100 -0.433 0.000 0.780 225 P CB 0.880 32.606 31.700 0.044 0.000 0.898 226 F N -0.307 119.250 119.950 -0.654 0.000 2.693 226 F HA 0.113 4.640 4.527 0.000 0.000 0.303 226 F C 1.544 177.565 175.800 0.369 0.000 1.097 226 F CA 0.188 58.159 58.000 -0.048 0.000 1.330 226 F CB -0.161 38.802 39.000 -0.063 0.000 1.067 226 F HN 0.247 nan 8.300 nan 0.000 0.565 227 T N -3.391 111.415 114.554 0.420 0.000 2.916 227 T HA 0.602 4.952 4.350 0.001 0.000 0.292 227 T C -1.594 173.057 174.700 -0.082 0.000 1.064 227 T CA -0.825 61.454 62.100 0.298 0.000 1.011 227 T CB 2.548 71.630 68.868 0.357 0.000 1.152 227 T HN -0.021 nan 8.240 nan 0.000 0.510 228 Y N 0.379 120.371 120.300 -0.514 0.000 2.442 228 Y HA 0.488 5.039 4.550 0.002 0.000 0.330 228 Y C -0.837 174.846 175.900 -0.362 0.000 1.100 228 Y CA -1.108 56.597 58.100 -0.659 0.000 1.034 228 Y CB 1.724 39.298 38.460 -1.476 0.000 1.285 228 Y HN 0.631 nan 8.280 nan 0.000 0.440 229 R N 6.838 126.953 120.500 -0.642 0.000 2.608 229 R HA 0.130 4.470 4.340 0.001 0.000 0.277 229 R C 0.737 176.798 176.300 -0.398 0.000 1.341 229 R CA -0.289 55.565 56.100 -0.411 0.000 1.199 229 R CB 0.077 30.191 30.300 -0.310 0.000 1.156 229 R HN 0.872 nan 8.270 nan 0.000 0.558 230 L N 2.632 123.750 121.223 -0.174 0.000 2.046 230 L HA -0.091 4.249 4.340 0.001 0.000 0.208 230 L C 1.554 178.384 176.870 -0.066 0.000 1.077 230 L CA 1.845 56.700 54.840 0.025 0.000 0.747 230 L CB -0.189 41.965 42.059 0.159 0.000 0.896 230 L HN 0.540 nan 8.230 nan 0.000 0.432 231 L N -0.837 120.263 121.223 -0.206 0.000 2.610 231 L HA -0.057 4.283 4.340 0.001 0.000 0.232 231 L C 1.884 178.717 176.870 -0.062 0.000 1.149 231 L CA 0.453 55.107 54.840 -0.310 0.000 0.872 231 L CB -0.420 41.456 42.059 -0.306 0.000 0.992 231 L HN 0.382 nan 8.230 nan 0.000 0.447 232 E N -0.921 119.239 120.200 -0.066 0.000 2.442 232 E HA -0.020 4.330 4.350 0.001 0.000 0.195 232 E C 0.401 177.011 176.600 0.017 0.000 1.030 232 E CA -0.132 56.247 56.400 -0.035 0.000 0.869 232 E CB 0.404 30.044 29.700 -0.101 0.000 0.857 232 E HN 0.343 nan 8.360 nan 0.000 0.505 233 Q N 0.526 120.371 119.800 0.075 0.000 2.417 233 Q HA 0.163 4.503 4.340 0.001 0.000 0.241 233 Q C 0.058 176.141 176.000 0.139 0.000 1.008 233 Q CA 0.164 56.032 55.803 0.109 0.000 0.901 233 Q CB 0.156 29.003 28.738 0.182 0.000 1.259 233 Q HN 0.249 nan 8.270 nan 0.000 0.489 234 E N 2.821 123.046 120.200 0.043 0.000 2.324 234 E HA 0.335 4.685 4.350 0.001 0.000 0.271 234 E C -2.197 174.312 176.600 -0.152 0.000 1.028 234 E CA -1.553 54.828 56.400 -0.031 0.000 0.890 234 E CB -0.587 29.095 29.700 -0.030 0.000 1.004 234 E HN 0.303 nan 8.360 nan 0.000 0.431 235 P HA 0.421 nan 4.420 nan 0.000 0.281 235 P C -0.362 176.734 177.300 -0.340 0.000 1.264 235 P CA -0.733 61.978 63.100 -0.649 0.000 0.824 235 P CB 0.796 31.779 31.700 -1.195 0.000 1.092 236 I N 1.058 121.452 120.570 -0.293 0.000 2.436 236 I HA 0.092 4.263 4.170 0.001 0.000 0.289 236 I C 0.898 176.926 176.117 -0.149 0.000 1.083 236 I CA 0.218 61.415 61.300 -0.172 0.000 1.372 236 I CB -0.138 37.778 38.000 -0.141 0.000 1.408 236 I HN 0.249 nan 8.210 nan 0.000 0.516 237 E N 5.237 125.378 120.200 -0.098 0.000 2.146 237 E HA 0.301 4.652 4.350 0.001 0.000 0.282 237 E C -0.450 176.145 176.600 -0.008 0.000 0.989 237 E CA -0.312 56.051 56.400 -0.063 0.000 0.799 237 E CB 1.145 30.811 29.700 -0.055 0.000 1.088 237 E HN 0.695 nan 8.360 nan 0.000 0.397 238 S N 2.092 117.793 115.700 0.002 0.000 2.795 238 S HA 0.293 4.763 4.470 0.001 0.000 0.308 238 S C 0.952 175.545 174.600 -0.012 0.000 1.098 238 S CA -0.898 57.318 58.200 0.027 0.000 0.934 238 S CB 1.095 64.344 63.200 0.082 0.000 1.300 238 S HN 0.556 nan 8.310 nan 0.000 0.566 239 E N 0.370 120.546 120.200 -0.040 0.000 2.072 239 E HA -0.007 4.343 4.350 0.001 0.000 0.190 239 E C 1.410 178.004 176.600 -0.010 0.000 0.982 239 E CA 0.969 57.342 56.400 -0.045 0.000 0.803 239 E CB -0.435 29.215 29.700 -0.083 0.000 0.755 239 E HN 0.833 nan 8.360 nan 0.000 0.453 240 G N -0.269 108.537 108.800 0.009 0.000 3.453 240 G HA2 0.401 4.361 3.960 0.001 0.000 0.263 240 G HA3 0.401 4.361 3.960 0.001 0.000 0.263 240 G C 0.161 175.087 174.900 0.044 0.000 1.060 240 G CA 0.376 45.494 45.100 0.031 0.000 0.793 240 G HN 0.373 nan 8.290 nan 0.000 0.532 241 G N -0.375 108.443 108.800 0.030 0.000 2.340 241 G HA2 0.512 4.472 3.960 0.001 0.000 0.299 241 G HA3 0.512 4.472 3.960 0.001 0.000 0.299 241 G C -1.810 173.088 174.900 -0.003 0.000 1.291 241 G CA -0.899 44.218 45.100 0.029 0.000 0.841 241 G HN 0.188 nan 8.290 nan 0.000 0.500 242 K N -1.128 119.264 120.400 -0.014 0.000 2.443 242 K HA 0.764 5.085 4.320 0.001 0.000 0.251 242 K C -1.409 175.130 176.600 -0.103 0.000 0.972 242 K CA -0.864 55.369 56.287 -0.089 0.000 0.833 242 K CB 3.140 35.593 32.500 -0.079 0.000 1.317 242 K HN 0.339 nan 8.250 nan 0.000 0.441 243 V N 2.618 122.400 119.914 -0.221 0.000 2.567 243 V HA 0.306 4.426 4.120 0.001 0.000 0.298 243 V C -1.720 174.223 176.094 -0.252 0.000 1.047 243 V CA -0.905 61.296 62.300 -0.165 0.000 0.880 243 V CB 1.036 32.763 31.823 -0.161 0.000 1.009 243 V HN 0.604 nan 8.190 nan 0.000 0.429 244 Y N 4.904 125.147 120.300 -0.097 0.000 2.353 244 Y HA 0.638 5.188 4.550 0.000 0.000 0.340 244 Y C 0.237 176.088 175.900 -0.083 0.000 0.972 244 Y CA -0.801 57.267 58.100 -0.054 0.000 1.157 244 Y CB 1.269 39.735 38.460 0.011 0.000 1.157 244 Y HN 0.452 nan 8.280 nan 0.000 0.495 245 I N 3.455 124.032 120.570 0.011 0.000 2.336 245 I HA 0.657 4.827 4.170 0.001 0.000 0.292 245 I C -0.227 175.913 176.117 0.038 0.000 0.991 245 I CA -0.741 60.507 61.300 -0.086 0.000 1.227 245 I CB 1.341 39.164 38.000 -0.295 0.000 1.366 245 I HN 0.698 nan 8.210 nan 0.000 0.466 246 A N 5.476 128.332 122.820 0.060 0.000 2.375 246 A HA 0.705 5.025 4.320 0.001 0.000 0.291 246 A C -1.203 176.412 177.584 0.052 0.000 1.160 246 A CA -0.515 51.534 52.037 0.021 0.000 0.747 246 A CB 0.684 19.719 19.000 0.057 0.000 1.170 246 A HN 0.744 nan 8.150 nan 0.000 0.458 247 D N 0.525 120.919 120.400 -0.010 0.000 2.744 247 D HA 0.354 4.995 4.640 0.001 0.000 0.304 247 D C 1.065 177.307 176.300 -0.097 0.000 1.179 247 D CA 0.218 54.202 54.000 -0.026 0.000 1.024 247 D CB 0.350 41.162 40.800 0.020 0.000 1.453 247 D HN 0.421 nan 8.370 nan 0.000 0.529 248 S N -1.221 114.392 115.700 -0.144 0.000 2.461 248 S HA -0.251 4.219 4.470 0.001 0.000 0.246 248 S C 1.604 176.116 174.600 -0.147 0.000 1.007 248 S CA 2.219 60.300 58.200 -0.198 0.000 0.976 248 S CB -1.378 61.711 63.200 -0.186 0.000 0.763 248 S HN 0.731 nan 8.310 nan 0.000 0.508 249 T N -0.230 114.275 114.554 -0.082 0.000 3.014 249 T HA 0.031 4.381 4.350 0.001 0.000 0.263 249 T C 1.599 176.274 174.700 -0.042 0.000 1.078 249 T CA 0.903 62.967 62.100 -0.061 0.000 1.135 249 T CB -0.429 68.422 68.868 -0.029 0.000 0.895 249 T HN 0.674 nan 8.240 nan 0.000 0.480 250 N N 0.348 119.028 118.700 -0.032 0.000 2.684 250 N HA 0.107 4.847 4.740 0.001 0.000 0.220 250 N C 0.270 175.785 175.510 0.007 0.000 1.037 250 N CA -0.267 52.797 53.050 0.022 0.000 0.975 250 N CB -0.767 37.771 38.487 0.085 0.000 1.426 250 N HN 0.306 nan 8.380 nan 0.000 0.450 251 F N 3.679 123.355 119.950 -0.456 0.000 2.600 251 F HA 0.333 4.861 4.527 0.002 0.000 0.345 251 F C 1.059 176.669 175.800 -0.316 0.000 1.271 251 F CA -1.126 56.559 58.000 -0.525 0.000 1.138 251 F CB -0.069 38.478 39.000 -0.755 0.000 1.449 251 F HN -0.067 nan 8.300 nan 0.000 0.645 252 K N 2.953 123.303 120.400 -0.082 0.000 2.103 252 K HA -0.119 4.201 4.320 0.001 0.000 0.207 252 K C 2.127 178.436 176.600 -0.486 0.000 1.048 252 K CA 1.710 57.779 56.287 -0.364 0.000 0.930 252 K CB -0.806 31.315 32.500 -0.631 0.000 0.716 252 K HN 0.555 nan 8.250 nan 0.000 0.444 253 V N -1.301 118.305 119.914 -0.514 0.000 2.970 253 V HA -0.001 4.119 4.120 0.001 0.000 0.260 253 V C 1.489 177.134 176.094 -0.748 0.000 1.100 253 V CA 1.175 63.201 62.300 -0.457 0.000 1.122 253 V CB -0.398 31.275 31.823 -0.249 0.000 0.721 253 V HN 0.050 nan 8.190 nan 0.000 0.483 254 S N 0.908 115.915 115.700 -1.154 0.000 3.864 254 S HA 0.157 4.628 4.470 0.001 0.000 0.202 254 S C 1.439 175.455 174.600 -0.973 0.000 1.402 254 S CA -0.443 56.771 58.200 -1.643 0.000 1.072 254 S CB -0.615 61.883 63.200 -1.170 0.000 1.383 254 S HN 0.517 nan 8.310 nan 0.000 0.458 255 K N 0.935 120.908 120.400 -0.712 0.000 2.097 255 K HA -0.049 4.271 4.320 0.001 0.000 0.205 255 K C 2.076 178.579 176.600 -0.162 0.000 1.050 255 K CA 1.655 57.770 56.287 -0.286 0.000 0.938 255 K CB -0.869 31.564 32.500 -0.113 0.000 0.718 255 K HN 0.706 nan 8.250 nan 0.000 0.442 256 T N -1.912 112.594 114.554 -0.079 0.000 3.069 256 T HA 0.255 4.606 4.350 0.001 0.000 0.252 256 T C 0.504 175.219 174.700 0.025 0.000 1.053 256 T CA -0.265 61.865 62.100 0.049 0.000 0.964 256 T CB 0.194 69.161 68.868 0.165 0.000 1.005 256 T HN -0.165 nan 8.240 nan 0.000 0.532 257 I N 1.702 122.238 120.570 -0.057 0.000 2.548 257 I HA 0.631 4.801 4.170 0.001 0.000 0.287 257 I C -0.655 175.367 176.117 -0.158 0.000 1.103 257 I CA -1.137 60.103 61.300 -0.100 0.000 1.049 257 I CB 1.439 39.411 38.000 -0.046 0.000 1.232 257 I HN 0.231 nan 8.210 nan 0.000 0.429 258 A N 5.066 127.824 122.820 -0.104 0.000 2.330 258 A HA 0.891 5.212 4.320 0.001 0.000 0.327 258 A C -0.152 177.459 177.584 0.045 0.000 1.155 258 A CA -0.394 51.643 52.037 0.000 0.000 0.803 258 A CB 1.344 20.369 19.000 0.041 0.000 1.208 258 A HN 0.766 nan 8.150 nan 0.000 0.477 259 S N 0.300 116.043 115.700 0.071 0.000 2.595 259 S HA 0.907 5.378 4.470 0.001 0.000 0.281 259 S C -0.622 174.051 174.600 0.121 0.000 1.117 259 S CA -0.128 58.074 58.200 0.004 0.000 0.873 259 S CB 1.850 64.948 63.200 -0.170 0.000 1.108 259 S HN 2.216 nan 8.310 nan 0.000 0.477 260 A N 1.079 123.953 122.820 0.090 0.000 2.455 260 A HA 0.746 5.066 4.320 0.001 0.000 0.300 260 A C -1.406 176.149 177.584 -0.047 0.000 1.040 260 A CA -0.679 51.360 52.037 0.004 0.000 0.697 260 A CB 1.441 20.394 19.000 -0.077 0.000 1.265 260 A HN 1.178 nan 8.150 nan 0.000 0.407 261 L N 2.768 123.976 121.223 -0.025 0.000 2.289 261 L HA 0.748 5.088 4.340 0.001 0.000 0.285 261 L C -0.984 175.803 176.870 -0.138 0.000 1.049 261 L CA -0.161 54.606 54.840 -0.121 0.000 0.804 261 L CB 1.590 43.600 42.059 -0.081 0.000 1.195 261 L HN 0.440 nan 8.230 nan 0.000 0.428 262 V N 3.959 123.633 119.914 -0.400 0.000 2.487 262 V HA 0.533 4.654 4.120 0.001 0.000 0.298 262 V C -0.123 175.796 176.094 -0.292 0.000 1.028 262 V CA -0.494 61.536 62.300 -0.451 0.000 0.860 262 V CB 1.795 33.014 31.823 -1.007 0.000 0.991 262 V HN 0.848 nan 8.190 nan 0.000 0.427 263 T N 4.398 118.908 114.554 -0.074 0.000 2.779 263 T HA 0.620 4.970 4.350 0.001 0.000 0.280 263 T C -0.445 174.289 174.700 0.056 0.000 0.987 263 T CA -0.399 61.714 62.100 0.022 0.000 0.966 263 T CB 1.570 70.487 68.868 0.082 0.000 0.933 263 T HN 0.358 nan 8.240 nan 0.000 0.442 264 V N 3.747 123.730 119.914 0.115 0.000 2.407 264 V HA 0.348 4.469 4.120 0.001 0.000 0.291 264 V C 0.087 176.257 176.094 0.127 0.000 1.018 264 V CA -1.026 61.360 62.300 0.144 0.000 0.842 264 V CB 1.644 33.608 31.823 0.235 0.000 0.996 264 V HN 0.747 nan 8.190 nan 0.000 0.426 265 E N 4.965 125.223 120.200 0.098 0.000 2.392 265 E HA 0.266 4.616 4.350 0.001 0.000 0.259 265 E C -2.419 174.234 176.600 0.087 0.000 1.108 265 E CA -2.221 54.228 56.400 0.082 0.000 0.916 265 E CB 0.549 30.286 29.700 0.062 0.000 0.989 265 E HN 0.366 nan 8.360 nan 0.000 0.432 266 P HA -0.033 nan 4.420 nan 0.000 0.261 266 P C 0.521 177.860 177.300 0.066 0.000 1.173 266 P CA 1.240 64.383 63.100 0.072 0.000 0.760 266 P CB 0.296 32.031 31.700 0.058 0.000 0.783 267 G N 1.401 110.243 108.800 0.070 0.000 2.155 267 G HA2 -0.106 3.855 3.960 0.001 0.000 0.257 267 G HA3 -0.106 3.855 3.960 0.001 0.000 0.257 267 G C 0.328 175.269 174.900 0.069 0.000 0.983 267 G CA 0.132 45.270 45.100 0.063 0.000 0.676 267 G HN 0.865 nan 8.290 nan 0.000 0.528 268 A N -0.472 122.401 122.820 0.088 0.000 2.346 268 A HA 1.053 5.373 4.320 0.001 0.000 0.313 268 A C -0.025 177.641 177.584 0.138 0.000 1.140 268 A CA -0.094 52.001 52.037 0.096 0.000 0.826 268 A CB 1.227 20.280 19.000 0.088 0.000 1.332 268 A HN 1.643 nan 8.150 nan 0.000 0.457 269 M N -0.429 119.263 119.600 0.153 0.000 2.470 269 M HA 0.709 5.190 4.480 0.001 0.000 0.285 269 M C -0.578 175.860 176.300 0.230 0.000 1.213 269 M CA -0.813 54.619 55.300 0.220 0.000 0.901 269 M CB 1.822 34.568 32.600 0.243 0.000 1.718 269 M HN 0.556 nan 8.290 nan 0.000 0.469 270 R N 2.767 123.450 120.500 0.305 0.000 2.458 270 R HA 0.121 4.461 4.340 0.001 0.000 0.303 270 R C -0.130 176.354 176.300 0.308 0.000 1.013 270 R CA 0.346 56.624 56.100 0.297 0.000 1.026 270 R CB 0.353 30.921 30.300 0.447 0.000 0.948 270 R HN 0.835 nan 8.270 nan 0.000 0.417 271 E N 3.823 124.142 120.200 0.198 0.000 2.435 271 E HA -0.016 4.334 4.350 0.001 0.000 0.256 271 E C -0.666 176.152 176.600 0.364 0.000 1.245 271 E CA -0.526 56.004 56.400 0.217 0.000 0.989 271 E CB 0.452 30.231 29.700 0.132 0.000 0.983 271 E HN 0.499 nan 8.360 nan 0.000 0.480 272 L N 2.939 124.342 121.223 0.301 0.000 2.418 272 L HA 0.191 4.531 4.340 0.001 0.000 0.274 272 L C 0.254 177.304 176.870 0.300 0.000 1.135 272 L CA 0.078 55.105 54.840 0.313 0.000 0.870 272 L CB -0.264 41.930 42.059 0.226 0.000 1.154 272 L HN 0.600 nan 8.230 nan 0.000 0.462 273 H N 1.786 120.847 119.070 -0.015 0.000 2.948 273 H HA 0.490 5.047 4.556 0.001 0.000 0.315 273 H C -1.571 173.659 175.328 -0.162 0.000 1.360 273 H CA -1.281 54.675 56.048 -0.152 0.000 1.125 273 H CB 1.019 30.619 29.762 -0.269 0.000 1.844 273 H HN 0.585 nan 8.280 nan 0.000 0.529 274 W N -0.115 120.923 121.300 -0.437 0.000 3.038 274 W HA 0.612 5.273 4.660 0.001 0.000 0.347 274 W C -1.630 174.593 176.519 -0.492 0.000 1.219 274 W CA -1.032 56.041 57.345 -0.454 0.000 1.142 274 W CB 0.934 30.309 29.460 -0.142 0.000 1.484 274 W HN 0.491 nan 8.180 nan 0.000 0.586 275 H N 1.820 121.069 119.070 0.300 0.000 2.541 275 H HA 0.218 4.774 4.556 0.000 0.000 0.316 275 H C -1.778 173.717 175.328 0.279 0.000 1.043 275 H CA -1.855 54.242 56.048 0.082 0.000 1.232 275 H CB 1.808 31.582 29.762 0.019 0.000 1.406 275 H HN 0.223 nan 8.280 nan 0.000 0.469 276 P HA -0.088 nan 4.420 nan 0.000 0.241 276 P C 0.796 178.304 177.300 0.347 0.000 1.191 276 P CA 0.617 63.931 63.100 0.357 0.000 0.771 276 P CB 0.543 32.332 31.700 0.147 0.000 0.929 277 N N -1.125 117.604 118.700 0.048 0.000 2.499 277 N HA 0.045 4.785 4.740 0.001 0.000 0.182 277 N C 0.554 175.580 175.510 -0.807 0.000 1.034 277 N CA 0.687 53.585 53.050 -0.253 0.000 0.882 277 N CB -0.219 38.059 38.487 -0.348 0.000 1.125 277 N HN 0.001 nan 8.380 nan 0.000 0.436 278 T N -1.020 113.135 114.554 -0.667 0.000 2.677 278 T HA 0.176 4.526 4.350 0.001 0.000 0.305 278 T C -1.810 172.735 174.700 -0.259 0.000 1.569 278 T CA -0.692 60.932 62.100 -0.793 0.000 0.984 278 T CB 0.313 68.928 68.868 -0.422 0.000 1.629 278 T HN 0.178 nan 8.240 nan 0.000 0.494 279 H N 1.428 120.480 119.070 -0.030 0.000 2.852 279 H HA 0.278 4.834 4.556 0.000 0.000 0.362 279 H C 0.227 175.459 175.328 -0.159 0.000 1.122 279 H CA 0.138 56.152 56.048 -0.056 0.000 1.419 279 H CB 0.590 30.294 29.762 -0.098 0.000 1.401 279 H HN 0.569 nan 8.280 nan 0.000 0.609 280 E N 2.112 122.144 120.200 -0.279 0.000 2.151 280 E HA 0.169 4.519 4.350 0.001 0.000 0.275 280 E C -1.304 174.910 176.600 -0.644 0.000 0.936 280 E CA -0.782 55.242 56.400 -0.627 0.000 0.777 280 E CB 1.056 30.486 29.700 -0.450 0.000 1.108 280 E HN 0.506 nan 8.360 nan 0.000 0.401 281 W N 4.146 125.058 121.300 -0.647 0.000 2.573 281 W HA 0.311 4.970 4.660 -0.002 0.000 0.326 281 W C -1.029 175.313 176.519 -0.295 0.000 1.049 281 W CA -0.362 56.810 57.345 -0.287 0.000 1.220 281 W CB 1.372 30.774 29.460 -0.097 0.000 1.373 281 W HN 0.489 nan 8.180 nan 0.000 0.507 282 Q N 4.614 124.011 119.800 -0.672 0.000 2.365 282 Q HA 0.314 4.654 4.340 0.001 0.000 0.269 282 Q C -1.827 173.710 176.000 -0.773 0.000 1.061 282 Q CA -1.142 54.312 55.803 -0.583 0.000 0.816 282 Q CB 3.109 31.483 28.738 -0.606 0.000 1.325 282 Q HN 0.502 nan 8.270 nan 0.000 0.446 283 Y N 1.198 121.200 120.300 -0.497 0.000 2.376 283 Y HA 0.376 4.926 4.550 0.000 0.000 0.340 283 Y C -1.731 174.054 175.900 -0.191 0.000 0.965 283 Y CA -1.125 56.831 58.100 -0.240 0.000 1.078 283 Y CB 1.015 39.547 38.460 0.120 0.000 1.193 283 Y HN 0.549 nan 8.280 nan 0.000 0.452 284 Y N 7.532 127.342 120.300 -0.816 0.000 2.535 284 Y HA 0.259 4.808 4.550 -0.000 0.000 0.349 284 Y C 1.065 176.523 175.900 -0.738 0.000 0.992 284 Y CA -0.214 57.562 58.100 -0.541 0.000 1.248 284 Y CB 0.317 38.603 38.460 -0.290 0.000 1.124 284 Y HN 0.676 nan 8.280 nan 0.000 0.520 285 I N 1.014 121.412 120.570 -0.287 0.000 2.163 285 I HA -0.176 3.994 4.170 0.001 0.000 0.240 285 I C 0.889 177.051 176.117 0.075 0.000 1.081 285 I CA 1.223 62.523 61.300 -0.000 0.000 1.353 285 I CB -0.039 38.051 38.000 0.150 0.000 1.054 285 I HN 0.565 nan 8.210 nan 0.000 0.407 286 S N -0.859 114.900 115.700 0.099 0.000 2.596 286 S HA 0.723 5.193 4.470 0.001 0.000 0.270 286 S C -0.318 174.365 174.600 0.137 0.000 1.155 286 S CA -0.149 58.119 58.200 0.114 0.000 0.827 286 S CB 1.725 64.993 63.200 0.114 0.000 1.130 286 S HN 0.741 nan 8.310 nan 0.000 0.467 287 G N 0.850 109.719 108.800 0.115 0.000 2.685 287 G HA2 0.079 4.039 3.960 0.001 0.000 0.387 287 G HA3 0.079 4.039 3.960 0.001 0.000 0.387 287 G C -1.450 173.510 174.900 0.099 0.000 1.324 287 G CA -0.573 44.597 45.100 0.117 0.000 0.878 287 G HN 0.869 nan 8.290 nan 0.000 0.527 288 K N -0.221 120.230 120.400 0.085 0.000 2.397 288 K HA 0.760 5.080 4.320 0.001 0.000 0.253 288 K C 0.094 176.726 176.600 0.053 0.000 0.932 288 K CA -0.025 56.286 56.287 0.040 0.000 0.795 288 K CB 2.112 34.627 32.500 0.025 0.000 1.159 288 K HN 1.284 nan 8.250 nan 0.000 0.424 289 A N 2.378 125.199 122.820 0.001 0.000 2.479 289 A HA 0.810 5.131 4.320 0.001 0.000 0.296 289 A C -1.310 176.288 177.584 0.024 0.000 1.121 289 A CA -0.946 51.111 52.037 0.034 0.000 0.743 289 A CB 1.376 20.394 19.000 0.029 0.000 1.323 289 A HN 0.866 nan 8.150 nan 0.000 0.415 290 R N 0.139 120.683 120.500 0.073 0.000 2.744 290 R HA 0.836 5.176 4.340 0.001 0.000 0.279 290 R C -1.033 175.284 176.300 0.027 0.000 0.977 290 R CA -0.630 55.514 56.100 0.074 0.000 0.906 290 R CB 1.697 32.041 30.300 0.073 0.000 1.197 290 R HN 0.871 nan 8.270 nan 0.000 0.463 291 M N 1.823 121.437 119.600 0.023 0.000 2.446 291 M HA 0.423 4.904 4.480 0.001 0.000 0.294 291 M C -1.619 174.611 176.300 -0.117 0.000 1.158 291 M CA -0.308 54.853 55.300 -0.232 0.000 0.899 291 M CB 3.098 35.674 32.600 -0.041 0.000 1.687 291 M HN 0.778 nan 8.290 nan 0.000 0.455 292 T N 3.496 117.858 114.554 -0.321 0.000 2.770 292 T HA 0.509 4.859 4.350 0.001 0.000 0.283 292 T C -0.717 174.121 174.700 0.229 0.000 0.988 292 T CA -0.508 61.668 62.100 0.126 0.000 0.957 292 T CB 1.275 70.363 68.868 0.367 0.000 0.930 292 T HN 0.493 nan 8.240 nan 0.000 0.443 293 V N 4.779 124.870 119.914 0.296 0.000 2.385 293 V HA 0.354 4.474 4.120 0.001 0.000 0.269 293 V C -0.324 175.969 176.094 0.332 0.000 1.043 293 V CA -0.799 61.681 62.300 0.300 0.000 0.906 293 V CB 0.211 32.198 31.823 0.272 0.000 0.995 293 V HN 0.797 nan 8.190 nan 0.000 0.467 294 F N 5.426 125.491 119.950 0.192 0.000 2.391 294 F HA 0.648 5.177 4.527 0.004 0.000 0.359 294 F C 0.707 176.574 175.800 0.112 0.000 1.122 294 F CA -0.990 57.102 58.000 0.153 0.000 1.120 294 F CB 1.262 40.344 39.000 0.136 0.000 1.142 294 F HN 0.490 nan 8.300 nan 0.000 0.483 295 A N 4.669 127.208 122.820 -0.469 0.000 2.423 295 A HA 0.468 4.788 4.320 0.001 0.000 0.246 295 A C 0.782 178.005 177.584 -0.601 0.000 1.278 295 A CA 0.526 52.326 52.037 -0.396 0.000 0.903 295 A CB -1.129 17.807 19.000 -0.108 0.000 0.997 295 A HN 1.689 nan 8.150 nan 0.000 0.510 296 S N -1.032 113.936 115.700 -1.220 0.000 3.849 296 S HA -0.186 4.284 4.470 0.001 0.000 0.654 296 S C -0.055 174.415 174.600 -0.216 0.000 1.808 296 S CA 0.911 58.671 58.200 -0.733 0.000 1.951 296 S CB -1.487 61.473 63.200 -0.400 0.000 0.330 296 S HN 1.575 nan 8.310 nan 0.000 1.627 297 D N 0.254 120.646 120.400 -0.013 0.000 2.737 297 D HA -0.099 4.541 4.640 0.001 0.000 0.233 297 D C 1.281 177.776 176.300 0.324 0.000 1.155 297 D CA 3.247 57.330 54.000 0.138 0.000 0.667 297 D CB -1.639 39.209 40.800 0.079 0.000 1.060 297 D HN 2.335 nan 8.370 nan 0.000 0.427 298 G N -0.369 108.623 108.800 0.321 0.000 2.225 298 G HA2 -0.351 3.610 3.960 0.001 0.000 0.267 298 G HA3 -0.351 3.610 3.960 0.001 0.000 0.267 298 G C 0.037 175.141 174.900 0.341 0.000 1.024 298 G CA 0.635 45.923 45.100 0.314 0.000 0.784 298 G HN 0.686 nan 8.290 nan 0.000 0.507 299 H N 0.188 119.377 119.070 0.199 0.000 2.489 299 H HA 0.745 5.302 4.556 0.002 0.000 0.322 299 H C 0.469 175.909 175.328 0.187 0.000 1.091 299 H CA 0.594 56.745 56.048 0.172 0.000 1.291 299 H CB 1.777 31.567 29.762 0.046 0.000 1.436 299 H HN 0.835 nan 8.280 nan 0.000 0.480 300 A N 3.091 126.082 122.820 0.284 0.000 2.594 300 A HA 0.706 5.026 4.320 0.001 0.000 0.296 300 A C -1.155 176.528 177.584 0.166 0.000 1.061 300 A CA -0.760 51.443 52.037 0.277 0.000 0.689 300 A CB 1.657 20.867 19.000 0.351 0.000 1.280 300 A HN 0.694 nan 8.150 nan 0.000 0.406 301 R N 0.563 121.153 120.500 0.149 0.000 2.604 301 R HA 0.650 4.991 4.340 0.001 0.000 0.270 301 R C -1.544 174.706 176.300 -0.084 0.000 1.052 301 R CA -0.195 55.891 56.100 -0.024 0.000 0.902 301 R CB 2.044 32.295 30.300 -0.082 0.000 1.233 301 R HN 0.723 nan 8.270 nan 0.000 0.455 302 T N 4.003 118.395 114.554 -0.270 0.000 2.794 302 T HA 0.540 4.890 4.350 0.001 0.000 0.280 302 T C -0.997 173.404 174.700 -0.499 0.000 0.987 302 T CA -0.155 61.839 62.100 -0.176 0.000 0.993 302 T CB 0.474 69.311 68.868 -0.052 0.000 0.939 302 T HN 0.265 nan 8.240 nan 0.000 0.449 303 F N 1.571 121.483 119.950 -0.065 0.000 2.561 303 F HA 0.502 5.029 4.527 0.001 0.000 0.321 303 F C 0.636 176.220 175.800 -0.361 0.000 1.065 303 F CA -1.054 56.801 58.000 -0.242 0.000 0.934 303 F CB 1.763 40.603 39.000 -0.266 0.000 1.215 303 F HN 0.441 nan 8.300 nan 0.000 0.471 304 N N 0.362 118.830 118.700 -0.387 0.000 2.370 304 N HA 0.600 5.340 4.740 0.001 0.000 0.303 304 N C -1.874 173.161 175.510 -0.791 0.000 1.103 304 N CA -0.659 52.154 53.050 -0.395 0.000 0.848 304 N CB 1.573 39.917 38.487 -0.238 0.000 1.235 304 N HN 0.412 nan 8.380 nan 0.000 0.496 305 Y N -0.114 119.968 120.300 -0.364 0.000 2.534 305 Y HA 0.363 4.913 4.550 -0.001 0.000 0.345 305 Y C -0.280 175.337 175.900 -0.471 0.000 1.031 305 Y CA -0.872 56.863 58.100 -0.608 0.000 1.022 305 Y CB 1.816 39.362 38.460 -1.524 0.000 1.292 305 Y HN 0.445 nan 8.280 nan 0.000 0.459 306 Q N 0.784 120.482 119.800 -0.170 0.000 2.693 306 Q HA 0.873 5.214 4.340 0.001 0.000 0.306 306 Q C -1.147 174.861 176.000 0.012 0.000 0.969 306 Q CA -1.639 54.129 55.803 -0.057 0.000 0.757 306 Q CB 1.845 30.566 28.738 -0.029 0.000 1.494 306 Q HN 0.793 nan 8.270 nan 0.000 0.459 307 A N 0.021 122.869 122.820 0.047 0.000 2.598 307 A HA 0.344 4.665 4.320 0.001 0.000 0.239 307 A C 1.263 178.906 177.584 0.099 0.000 1.032 307 A CA 1.364 53.435 52.037 0.057 0.000 0.760 307 A CB -1.352 17.699 19.000 0.084 0.000 0.946 307 A HN 1.715 nan 8.150 nan 0.000 0.512 308 G N 2.006 110.881 108.800 0.125 0.000 2.176 308 G HA2 -0.175 3.785 3.960 0.001 0.000 0.253 308 G HA3 -0.175 3.785 3.960 0.001 0.000 0.253 308 G C -0.153 175.056 174.900 0.515 0.000 0.979 308 G CA 0.322 45.690 45.100 0.447 0.000 0.641 308 G HN 0.863 nan 8.290 nan 0.000 0.530 309 D N 0.080 120.633 120.400 0.254 0.000 2.210 309 D HA 0.557 5.198 4.640 0.001 0.000 0.249 309 D C 0.433 176.934 176.300 0.335 0.000 1.062 309 D CA -0.200 53.957 54.000 0.263 0.000 0.891 309 D CB 1.966 42.868 40.800 0.170 0.000 1.186 309 D HN 0.093 nan 8.370 nan 0.000 0.432 310 V N 1.437 121.501 119.914 0.250 0.000 2.481 310 V HA 0.692 4.812 4.120 0.001 0.000 0.286 310 V C 0.906 176.995 176.094 -0.009 0.000 1.042 310 V CA -0.430 61.872 62.300 0.003 0.000 0.928 310 V CB 1.572 33.338 31.823 -0.096 0.000 0.986 310 V HN 0.605 nan 8.190 nan 0.000 0.462 311 G N 2.567 111.203 108.800 -0.273 0.000 2.600 311 G HA2 0.686 4.647 3.960 0.001 0.000 0.303 311 G HA3 0.686 4.647 3.960 0.001 0.000 0.303 311 G C -2.126 172.588 174.900 -0.310 0.000 1.253 311 G CA -0.541 44.413 45.100 -0.242 0.000 0.974 311 G HN 0.538 nan 8.290 nan 0.000 0.483 312 Y N -0.643 119.454 120.300 -0.340 0.000 2.519 312 Y HA 0.516 5.067 4.550 0.002 0.000 0.336 312 Y C -1.221 174.559 175.900 -0.200 0.000 1.089 312 Y CA -0.771 57.174 58.100 -0.258 0.000 1.025 312 Y CB 2.362 40.720 38.460 -0.169 0.000 1.318 312 Y HN 0.479 nan 8.280 nan 0.000 0.452 313 V N 6.500 126.125 119.914 -0.482 0.000 2.419 313 V HA 0.380 4.501 4.120 0.001 0.000 0.287 313 V C -2.517 173.474 176.094 -0.172 0.000 1.017 313 V CA -2.011 60.123 62.300 -0.277 0.000 0.844 313 V CB 1.356 32.921 31.823 -0.430 0.000 1.011 313 V HN 0.608 nan 8.190 nan 0.000 0.429 314 P HA 0.007 nan 4.420 nan 0.000 0.266 314 P C 0.006 177.476 177.300 0.284 0.000 1.195 314 P CA -0.156 63.164 63.100 0.367 0.000 0.768 314 P CB 0.220 32.109 31.700 0.316 0.000 0.838 315 F N 4.075 124.032 119.950 0.013 0.000 2.322 315 F HA -0.089 4.436 4.527 -0.003 0.000 0.429 315 F C 1.323 177.106 175.800 -0.028 0.000 0.916 315 F CA 0.882 58.767 58.000 -0.192 0.000 1.090 315 F CB -1.301 37.370 39.000 -0.549 0.000 0.867 315 F HN 0.706 nan 8.300 nan 0.000 0.518 316 A N 4.268 127.290 122.820 0.337 0.000 3.737 316 A HA -0.316 4.005 4.320 0.001 0.000 0.260 316 A C 1.007 178.574 177.584 -0.028 0.000 1.021 316 A CA 0.956 53.033 52.037 0.067 0.000 1.356 316 A CB -2.257 16.490 19.000 -0.422 0.000 1.043 316 A HN 0.700 nan 8.150 nan 0.000 0.877 317 M N 0.481 120.116 119.600 0.058 0.000 2.249 317 M HA 0.337 4.818 4.480 0.001 0.000 0.340 317 M C 1.159 177.639 176.300 0.301 0.000 1.166 317 M CA 1.003 56.351 55.300 0.080 0.000 1.115 317 M CB 0.261 32.910 32.600 0.083 0.000 1.606 317 M HN 0.665 nan 8.290 nan 0.000 0.448 318 G N 2.608 111.601 108.800 0.321 0.000 2.432 318 G HA2 0.459 4.419 3.960 0.001 0.000 0.257 318 G HA3 0.459 4.419 3.960 0.001 0.000 0.257 318 G C -0.618 174.540 174.900 0.430 0.000 1.238 318 G CA -0.377 44.953 45.100 0.384 0.000 0.838 318 G HN 0.930 nan 8.290 nan 0.000 0.547 319 H N -0.556 118.609 119.070 0.158 0.000 2.902 319 H HA 0.552 5.109 4.556 0.001 0.000 0.297 319 H C -1.614 173.876 175.328 0.270 0.000 1.406 319 H CA -1.095 55.046 56.048 0.155 0.000 1.134 319 H CB 1.162 30.944 29.762 0.034 0.000 1.833 319 H HN 0.761 nan 8.280 nan 0.000 0.527 320 Y N -1.307 119.177 120.300 0.307 0.000 2.625 320 Y HA 0.665 5.216 4.550 0.001 0.000 0.338 320 Y C -1.980 174.113 175.900 0.322 0.000 1.123 320 Y CA -1.213 57.076 58.100 0.314 0.000 1.046 320 Y CB 1.431 40.030 38.460 0.230 0.000 1.299 320 Y HN 0.431 nan 8.280 nan 0.000 0.464 321 V N 1.753 121.848 119.914 0.301 0.000 2.447 321 V HA 0.360 4.480 4.120 0.001 0.000 0.292 321 V C -0.854 175.418 176.094 0.297 0.000 1.021 321 V CA -0.735 61.638 62.300 0.122 0.000 0.850 321 V CB 1.320 33.110 31.823 -0.056 0.000 1.005 321 V HN 0.846 nan 8.190 nan 0.000 0.426 322 E N 4.159 124.539 120.200 0.300 0.000 2.133 322 E HA 0.296 4.646 4.350 0.001 0.000 0.274 322 E C -0.319 176.408 176.600 0.212 0.000 0.930 322 E CA -0.698 55.891 56.400 0.314 0.000 0.770 322 E CB 1.031 30.968 29.700 0.394 0.000 1.104 322 E HN 0.682 nan 8.360 nan 0.000 0.403 323 N N 4.546 123.364 118.700 0.196 0.000 2.497 323 N HA 0.022 4.762 4.740 0.001 0.000 0.268 323 N C 0.173 175.759 175.510 0.126 0.000 1.171 323 N CA 0.146 53.292 53.050 0.160 0.000 0.948 323 N CB 0.501 39.081 38.487 0.156 0.000 1.069 323 N HN 0.649 nan 8.380 nan 0.000 0.460 324 I N 0.204 120.834 120.570 0.101 0.000 3.817 324 I HA 0.548 4.719 4.170 0.001 0.000 0.325 324 I C 0.583 176.735 176.117 0.059 0.000 1.550 324 I CA -0.718 60.628 61.300 0.077 0.000 1.100 324 I CB 0.586 38.626 38.000 0.066 0.000 1.216 324 I HN 0.328 nan 8.210 nan 0.000 0.481 325 G N 1.165 110.004 108.800 0.065 0.000 3.042 325 G HA2 0.404 4.365 3.960 0.001 0.000 0.278 325 G HA3 0.404 4.365 3.960 0.001 0.000 0.278 325 G C -0.540 174.394 174.900 0.057 0.000 1.371 325 G CA 0.010 45.143 45.100 0.054 0.000 1.009 325 G HN 0.261 nan 8.290 nan 0.000 0.523 326 D N -1.142 119.287 120.400 0.050 0.000 2.363 326 D HA 0.144 4.785 4.640 0.001 0.000 0.214 326 D C 0.157 176.489 176.300 0.053 0.000 1.093 326 D CA 0.118 54.146 54.000 0.048 0.000 0.837 326 D CB 0.529 41.352 40.800 0.038 0.000 0.948 326 D HN 0.152 nan 8.370 nan 0.000 0.507 327 E N 0.788 121.024 120.200 0.061 0.000 2.249 327 E HA 0.430 4.781 4.350 0.001 0.000 0.263 327 E C -2.537 174.112 176.600 0.081 0.000 0.950 327 E CA -2.409 54.031 56.400 0.067 0.000 0.827 327 E CB 1.018 30.758 29.700 0.066 0.000 1.220 327 E HN -0.028 nan 8.360 nan 0.000 0.411 328 P HA 0.015 nan 4.420 nan 0.000 0.265 328 P C -0.440 176.934 177.300 0.124 0.000 1.193 328 P CA -0.184 62.976 63.100 0.100 0.000 0.765 328 P CB 0.300 32.055 31.700 0.091 0.000 0.823 329 L N 5.383 126.701 121.223 0.158 0.000 2.276 329 L HA 0.414 4.754 4.340 0.001 0.000 0.286 329 L C -1.019 175.993 176.870 0.238 0.000 1.061 329 L CA -0.097 54.877 54.840 0.223 0.000 0.807 329 L CB 0.853 43.080 42.059 0.278 0.000 1.177 329 L HN 0.058 nan 8.230 nan 0.000 0.429 330 V N 7.144 127.192 119.914 0.224 0.000 2.447 330 V HA 0.532 4.653 4.120 0.001 0.000 0.292 330 V C -0.509 175.654 176.094 0.114 0.000 1.021 330 V CA -0.423 61.947 62.300 0.116 0.000 0.850 330 V CB 0.771 32.641 31.823 0.080 0.000 1.005 330 V HN 0.703 nan 8.190 nan 0.000 0.426 331 F N 3.389 123.255 119.950 -0.139 0.000 2.643 331 F HA 0.887 5.414 4.527 0.000 0.000 0.314 331 F C -1.472 174.181 175.800 -0.245 0.000 1.096 331 F CA -1.370 56.431 58.000 -0.332 0.000 0.953 331 F CB 1.690 40.240 39.000 -0.750 0.000 1.345 331 F HN 0.217 nan 8.300 nan 0.000 0.468 332 L N 1.682 122.839 121.223 -0.110 0.000 2.329 332 L HA 0.494 4.834 4.340 0.001 0.000 0.279 332 L C -0.789 176.065 176.870 -0.026 0.000 1.014 332 L CA -0.690 54.086 54.840 -0.107 0.000 0.814 332 L CB 1.976 44.047 42.059 0.021 0.000 1.257 332 L HN 0.699 nan 8.230 nan 0.000 0.424 333 E N 4.416 124.581 120.200 -0.059 0.000 2.092 333 E HA 0.453 4.803 4.350 0.001 0.000 0.271 333 E C -1.013 175.391 176.600 -0.327 0.000 0.919 333 E CA -0.560 55.773 56.400 -0.111 0.000 0.760 333 E CB 1.939 31.751 29.700 0.187 0.000 1.106 333 E HN 0.277 nan 8.360 nan 0.000 0.408 334 I N 3.363 123.612 120.570 -0.535 0.000 2.441 334 I HA 0.441 4.611 4.170 0.001 0.000 0.295 334 I C -0.491 175.120 176.117 -0.844 0.000 0.994 334 I CA -0.719 60.252 61.300 -0.548 0.000 1.144 334 I CB 0.610 38.422 38.000 -0.315 0.000 1.314 334 I HN 0.431 nan 8.210 nan 0.000 0.445 335 F N 3.390 123.209 119.950 -0.217 0.000 2.547 335 F HA 0.366 4.893 4.527 -0.001 0.000 0.316 335 F C 0.548 176.233 175.800 -0.191 0.000 1.121 335 F CA -0.906 56.968 58.000 -0.210 0.000 0.911 335 F CB 1.816 40.643 39.000 -0.287 0.000 1.179 335 F HN 0.311 nan 8.300 nan 0.000 0.443 336 K N 3.021 123.429 120.400 0.015 0.000 2.111 336 K HA 0.236 4.557 4.320 0.001 0.000 0.249 336 K C -1.293 175.289 176.600 -0.030 0.000 1.157 336 K CA 0.237 56.518 56.287 -0.010 0.000 1.048 336 K CB -0.155 32.353 32.500 0.014 0.000 1.498 336 K HN 0.686 nan 8.250 nan 0.000 0.344 337 D N 0.675 121.040 120.400 -0.057 0.000 2.671 337 D HA 0.006 4.647 4.640 0.001 0.000 0.273 337 D C -0.413 175.831 176.300 -0.094 0.000 1.264 337 D CA -0.427 53.508 54.000 -0.108 0.000 0.788 337 D CB 1.301 41.953 40.800 -0.248 0.000 1.324 337 D HN 0.445 nan 8.370 nan 0.000 0.424 338 D N -0.913 119.460 120.400 -0.045 0.000 2.339 338 D HA 0.000 4.640 4.640 0.001 0.000 0.217 338 D C 0.453 176.787 176.300 0.057 0.000 1.050 338 D CA 0.708 54.701 54.000 -0.012 0.000 0.856 338 D CB -0.095 40.708 40.800 0.005 0.000 0.922 338 D HN 0.464 nan 8.370 nan 0.000 0.518 339 H N -2.803 116.210 119.070 -0.094 0.000 3.008 339 H HA 0.389 4.946 4.556 0.001 0.000 0.354 339 H C -1.807 173.462 175.328 -0.098 0.000 1.252 339 H CA -1.177 54.826 56.048 -0.074 0.000 1.117 339 H CB 0.370 30.088 29.762 -0.074 0.000 1.857 339 H HN -0.047 nan 8.280 nan 0.000 0.547 340 Y N 1.340 121.535 120.300 -0.174 0.000 2.308 340 Y HA 0.577 5.128 4.550 0.002 0.000 0.329 340 Y C -0.965 174.802 175.900 -0.220 0.000 1.111 340 Y CA 0.032 57.938 58.100 -0.324 0.000 1.179 340 Y CB 0.861 39.219 38.460 -0.171 0.000 1.201 340 Y HN 0.941 nan 8.280 nan 0.000 0.483 341 A N 5.226 127.617 122.820 -0.715 0.000 2.520 341 A HA 0.628 4.949 4.320 0.001 0.000 0.298 341 A C -1.896 175.449 177.584 -0.397 0.000 1.051 341 A CA -0.614 51.238 52.037 -0.309 0.000 0.690 341 A CB 1.285 20.208 19.000 -0.129 0.000 1.281 341 A HN 0.747 nan 8.150 nan 0.000 0.402 342 D N -0.001 120.269 120.400 -0.217 0.000 2.596 342 D HA 0.555 5.195 4.640 0.001 0.000 0.234 342 D C -1.428 174.645 176.300 -0.380 0.000 1.181 342 D CA -0.559 53.262 54.000 -0.298 0.000 0.856 342 D CB 1.481 42.185 40.800 -0.161 0.000 1.498 342 D HN 0.374 nan 8.370 nan 0.000 0.446 343 V N 0.567 120.072 119.914 -0.680 0.000 2.409 343 V HA 0.505 4.625 4.120 0.001 0.000 0.291 343 V C 0.012 175.719 176.094 -0.646 0.000 1.020 343 V CA -0.784 61.026 62.300 -0.816 0.000 0.848 343 V CB 1.363 32.250 31.823 -1.561 0.000 0.990 343 V HN 0.701 nan 8.190 nan 0.000 0.430 344 S N 4.251 119.772 115.700 -0.298 0.000 2.475 344 S HA 0.296 4.767 4.470 0.001 0.000 0.281 344 S C 0.866 175.516 174.600 0.084 0.000 1.198 344 S CA -0.595 57.557 58.200 -0.081 0.000 1.063 344 S CB 0.988 64.165 63.200 -0.038 0.000 0.972 344 S HN 0.666 nan 8.310 nan 0.000 0.486 345 L N 5.863 127.217 121.223 0.219 0.000 1.990 345 L HA -0.125 4.215 4.340 0.001 0.000 0.213 345 L C 2.274 179.297 176.870 0.256 0.000 1.072 345 L CA 2.119 57.199 54.840 0.401 0.000 0.755 345 L CB -1.343 40.925 42.059 0.348 0.000 0.889 345 L HN 0.858 nan 8.230 nan 0.000 0.432 346 N N -0.406 118.384 118.700 0.151 0.000 2.018 346 N HA -0.290 4.450 4.740 0.001 0.000 0.196 346 N C 1.969 177.520 175.510 0.068 0.000 1.043 346 N CA 2.084 55.181 53.050 0.080 0.000 0.856 346 N CB -0.293 38.233 38.487 0.065 0.000 1.042 346 N HN 0.645 nan 8.380 nan 0.000 0.423 347 Q N -1.044 118.799 119.800 0.072 0.000 2.084 347 Q HA -0.176 4.164 4.340 0.001 0.000 0.202 347 Q C 1.989 178.071 176.000 0.137 0.000 0.978 347 Q CA 1.538 57.373 55.803 0.053 0.000 0.844 347 Q CB -0.359 28.380 28.738 0.002 0.000 0.898 347 Q HN 0.521 nan 8.270 nan 0.000 0.426 348 W N 1.192 122.476 121.300 -0.027 0.000 2.333 348 W HA -0.215 4.446 4.660 0.002 0.000 0.316 348 W C 1.500 178.039 176.519 0.034 0.000 1.215 348 W CA 1.625 58.974 57.345 0.006 0.000 1.278 348 W CB -0.781 28.700 29.460 0.035 0.000 1.154 348 W HN 0.181 nan 8.180 nan 0.000 0.486 349 L N 0.823 121.987 121.223 -0.099 0.000 2.141 349 L HA -0.094 4.247 4.340 0.001 0.000 0.209 349 L C 2.689 179.510 176.870 -0.082 0.000 1.094 349 L CA 1.224 55.913 54.840 -0.251 0.000 0.763 349 L CB -1.488 40.427 42.059 -0.239 0.000 0.908 349 L HN 0.063 nan 8.230 nan 0.000 0.437 350 A N -0.470 122.333 122.820 -0.028 0.000 2.024 350 A HA -0.170 4.150 4.320 0.001 0.000 0.220 350 A C 2.108 179.696 177.584 0.007 0.000 1.164 350 A CA 1.448 53.473 52.037 -0.020 0.000 0.643 350 A CB -0.255 18.736 19.000 -0.015 0.000 0.806 350 A HN 0.317 nan 8.150 nan 0.000 0.451 351 M N -0.668 118.956 119.600 0.040 0.000 2.428 351 M HA 0.367 4.848 4.480 0.001 0.000 0.239 351 M C -0.100 176.240 176.300 0.066 0.000 1.121 351 M CA 0.251 55.585 55.300 0.057 0.000 1.019 351 M CB -0.739 31.914 32.600 0.089 0.000 1.485 351 M HN 0.217 nan 8.290 nan 0.000 0.484 352 L N 0.230 121.487 121.223 0.056 0.000 2.332 352 L HA 0.480 4.820 4.340 0.001 0.000 0.269 352 L C -1.989 174.921 176.870 0.066 0.000 1.016 352 L CA -2.099 52.786 54.840 0.075 0.000 0.809 352 L CB 0.343 42.475 42.059 0.121 0.000 1.280 352 L HN -0.097 nan 8.230 nan 0.000 0.447 353 P HA -0.002 nan 4.420 nan 0.000 0.265 353 P C 0.145 177.516 177.300 0.119 0.000 1.193 353 P CA -0.112 63.034 63.100 0.076 0.000 0.765 353 P CB 0.440 32.173 31.700 0.055 0.000 0.823 354 E N 1.487 121.734 120.200 0.077 0.000 2.058 354 E HA -0.231 4.119 4.350 0.001 0.000 0.194 354 E C 1.342 178.003 176.600 0.102 0.000 0.997 354 E CA 1.930 58.374 56.400 0.073 0.000 0.801 354 E CB -1.255 28.472 29.700 0.045 0.000 0.746 354 E HN 0.539 nan 8.360 nan 0.000 0.450 355 T N -0.981 113.638 114.554 0.108 0.000 2.803 355 T HA -0.208 4.142 4.350 0.001 0.000 0.269 355 T C 1.695 176.506 174.700 0.186 0.000 1.052 355 T CA 1.025 63.195 62.100 0.117 0.000 1.136 355 T CB -0.528 68.399 68.868 0.098 0.000 0.864 355 T HN 0.177 nan 8.240 nan 0.000 0.467 356 F N 2.254 122.236 119.950 0.053 0.000 2.075 356 F HA 0.006 4.533 4.527 0.000 0.000 0.297 356 F C 2.446 178.341 175.800 0.158 0.000 1.113 356 F CA 0.559 58.620 58.000 0.101 0.000 1.218 356 F CB -0.759 38.287 39.000 0.077 0.000 0.984 356 F HN 0.007 nan 8.300 nan 0.000 0.472 357 V N 0.208 120.185 119.914 0.104 0.000 2.332 357 V HA -0.366 3.755 4.120 0.001 0.000 0.248 357 V C 2.338 178.434 176.094 0.004 0.000 1.055 357 V CA 2.282 64.555 62.300 -0.045 0.000 1.038 357 V CB -0.951 30.859 31.823 -0.022 0.000 0.651 357 V HN 0.378 nan 8.190 nan 0.000 0.450 358 Q N -0.213 119.614 119.800 0.046 0.000 2.061 358 Q HA -0.218 4.122 4.340 0.001 0.000 0.204 358 Q C 2.442 178.433 176.000 -0.015 0.000 0.984 358 Q CA 1.998 57.818 55.803 0.028 0.000 0.846 358 Q CB -0.527 28.238 28.738 0.045 0.000 0.902 358 Q HN 0.681 nan 8.270 nan 0.000 0.421 359 A N 0.323 123.131 122.820 -0.021 0.000 1.948 359 A HA -0.281 4.039 4.320 0.001 0.000 0.220 359 A C 1.569 179.040 177.584 -0.189 0.000 1.177 359 A CA 2.073 54.052 52.037 -0.096 0.000 0.636 359 A CB -0.787 18.149 19.000 -0.106 0.000 0.815 359 A HN 0.418 nan 8.150 nan 0.000 0.449 360 H N -0.748 118.171 119.070 -0.252 0.000 2.333 360 H HA 0.118 4.674 4.556 0.000 0.000 0.302 360 H C 1.658 176.872 175.328 -0.190 0.000 1.075 360 H CA 1.806 57.701 56.048 -0.256 0.000 1.348 360 H CB -0.052 29.505 29.762 -0.341 0.000 1.393 360 H HN 0.383 nan 8.280 nan 0.000 0.509 361 L N -0.246 120.943 121.223 -0.057 0.000 2.585 361 L HA 0.060 4.400 4.340 0.001 0.000 0.226 361 L C -0.116 176.670 176.870 -0.139 0.000 1.113 361 L CA 0.037 54.801 54.840 -0.127 0.000 0.876 361 L CB 0.333 42.273 42.059 -0.199 0.000 1.072 361 L HN 0.223 nan 8.230 nan 0.000 0.468 362 D N 1.093 121.430 120.400 -0.104 0.000 2.800 362 D HA -0.156 4.485 4.640 0.001 0.000 0.232 362 D C -0.327 175.917 176.300 -0.093 0.000 1.137 362 D CA 0.935 54.881 54.000 -0.090 0.000 0.718 362 D CB -1.357 39.389 40.800 -0.090 0.000 1.084 362 D HN 0.259 nan 8.370 nan 0.000 0.432 363 L N -1.221 119.948 121.223 -0.089 0.000 2.303 363 L HA 0.811 5.152 4.340 0.001 0.000 0.256 363 L C 1.323 178.198 176.870 0.008 0.000 1.034 363 L CA -0.900 53.897 54.840 -0.071 0.000 0.832 363 L CB 1.948 43.899 42.059 -0.180 0.000 1.403 363 L HN 0.022 nan 8.230 nan 0.000 0.419 364 G N -0.659 108.169 108.800 0.048 0.000 2.753 364 G HA2 0.296 4.257 3.960 0.001 0.000 0.285 364 G HA3 0.296 4.257 3.960 0.001 0.000 0.285 364 G C 0.276 175.230 174.900 0.089 0.000 1.344 364 G CA -0.409 44.725 45.100 0.057 0.000 1.050 364 G HN 0.653 nan 8.290 nan 0.000 0.532 365 K N -0.811 119.624 120.400 0.059 0.000 2.127 365 K HA -0.165 4.156 4.320 0.001 0.000 0.208 365 K C 1.788 178.419 176.600 0.051 0.000 1.047 365 K CA 2.016 58.332 56.287 0.048 0.000 0.927 365 K CB -0.038 32.479 32.500 0.028 0.000 0.716 365 K HN 0.390 nan 8.250 nan 0.000 0.450 366 D N -0.600 119.838 120.400 0.064 0.000 2.221 366 D HA -0.172 4.468 4.640 0.001 0.000 0.204 366 D C 1.438 177.797 176.300 0.099 0.000 0.982 366 D CA 0.885 54.923 54.000 0.063 0.000 0.857 366 D CB -0.073 40.764 40.800 0.063 0.000 0.934 366 D HN 0.205 nan 8.370 nan 0.000 0.475 367 F N 1.156 121.096 119.950 -0.017 0.000 2.164 367 F HA -0.099 4.428 4.527 0.000 0.000 0.287 367 F C 2.493 178.280 175.800 -0.021 0.000 1.086 367 F CA 1.737 59.724 58.000 -0.022 0.000 1.249 367 F CB -0.744 38.238 39.000 -0.030 0.000 1.059 367 F HN -0.056 nan 8.300 nan 0.000 0.490 368 T N -2.306 112.249 114.554 0.000 0.000 2.929 368 T HA -0.181 4.170 4.350 0.001 0.000 0.271 368 T C 1.512 176.120 174.700 -0.153 0.000 1.085 368 T CA 1.474 63.504 62.100 -0.115 0.000 1.125 368 T CB -0.709 68.170 68.868 0.017 0.000 0.874 368 T HN 0.183 nan 8.240 nan 0.000 0.494 369 D N 1.521 121.858 120.400 -0.105 0.000 2.265 369 D HA -0.072 4.569 4.640 0.001 0.000 0.208 369 D C 2.174 178.395 176.300 -0.131 0.000 0.977 369 D CA 1.307 55.254 54.000 -0.088 0.000 0.871 369 D CB -0.206 40.565 40.800 -0.048 0.000 0.925 369 D HN 0.603 nan 8.370 nan 0.000 0.485 370 V N -1.737 118.041 119.914 -0.228 0.000 3.541 370 V HA 0.147 4.268 4.120 0.001 0.000 0.267 370 V C 0.920 176.880 176.094 -0.223 0.000 1.213 370 V CA -0.104 62.062 62.300 -0.222 0.000 1.149 370 V CB -0.673 31.000 31.823 -0.249 0.000 0.822 370 V HN -0.061 nan 8.190 nan 0.000 0.462 371 L N 1.759 122.834 121.223 -0.246 0.000 2.439 371 L HA 0.396 4.736 4.340 0.001 0.000 0.269 371 L C 0.508 177.332 176.870 -0.077 0.000 1.179 371 L CA 0.570 55.302 54.840 -0.179 0.000 0.828 371 L CB 1.147 43.099 42.059 -0.177 0.000 1.106 371 L HN 0.295 nan 8.230 nan 0.000 0.467 372 S N 1.211 116.895 115.700 -0.027 0.000 2.478 372 S HA 0.303 4.774 4.470 0.001 0.000 0.312 372 S C 0.549 175.146 174.600 -0.006 0.000 1.094 372 S CA -0.831 57.382 58.200 0.021 0.000 1.081 372 S CB 1.267 64.546 63.200 0.132 0.000 1.007 372 S HN 0.627 nan 8.310 nan 0.000 0.475 373 K N 2.207 122.599 120.400 -0.014 0.000 2.365 373 K HA 0.092 4.412 4.320 0.001 0.000 0.197 373 K C -0.101 176.457 176.600 -0.070 0.000 1.042 373 K CA 0.490 56.760 56.287 -0.028 0.000 0.987 373 K CB 0.095 32.585 32.500 -0.017 0.000 0.779 373 K HN 0.524 nan 8.250 nan 0.000 0.484 374 E N 1.763 121.896 120.200 -0.111 0.000 2.301 374 E HA 0.100 4.450 4.350 0.001 0.000 0.275 374 E C -0.635 175.664 176.600 -0.502 0.000 1.030 374 E CA -0.204 56.041 56.400 -0.259 0.000 0.852 374 E CB 1.102 30.663 29.700 -0.232 0.000 1.060 374 E HN -0.067 nan 8.360 nan 0.000 0.401 375 K N 2.759 122.891 120.400 -0.446 0.000 2.227 375 K HA 0.156 4.477 4.320 0.001 0.000 0.280 375 K C -0.997 175.312 176.600 -0.485 0.000 1.041 375 K CA -0.508 55.560 56.287 -0.365 0.000 0.905 375 K CB 0.448 32.841 32.500 -0.179 0.000 1.068 375 K HN 0.594 nan 8.250 nan 0.000 0.470 376 H N 5.572 124.627 119.070 -0.024 0.000 2.791 376 H HA 0.175 4.731 4.556 0.001 0.000 0.272 376 H C -2.144 173.170 175.328 -0.023 0.000 1.188 376 H CA -2.163 53.870 56.048 -0.024 0.000 1.436 376 H CB 1.526 31.279 29.762 -0.015 0.000 1.467 376 H HN 0.524 nan 8.280 nan 0.000 0.500 377 P HA -0.109 nan 4.420 nan 0.000 0.220 377 P C 0.223 177.543 177.300 0.034 0.000 1.148 377 P CA 0.807 63.901 63.100 -0.010 0.000 0.803 377 P CB 0.635 32.310 31.700 -0.041 0.000 0.782 378 V N 0.295 120.248 119.914 0.064 0.000 2.443 378 V HA 0.275 4.395 4.120 0.001 0.000 0.293 378 V C -0.024 176.113 176.094 0.072 0.000 1.021 378 V CA -1.037 61.310 62.300 0.080 0.000 0.848 378 V CB 2.081 33.945 31.823 0.067 0.000 0.998 378 V HN -0.198 nan 8.190 nan 0.000 0.424 379 V N 1.716 121.677 119.914 0.078 0.000 2.732 379 V HA 0.776 4.896 4.120 0.001 0.000 0.310 379 V C -0.163 175.956 176.094 0.042 0.000 1.053 379 V CA -0.876 61.451 62.300 0.044 0.000 0.957 379 V CB 1.718 33.570 31.823 0.048 0.000 1.018 379 V HN 0.597 nan 8.190 nan 0.000 0.452 380 K N 2.068 122.477 120.400 0.014 0.000 2.138 380 K HA 0.455 4.776 4.320 0.001 0.000 0.263 380 K C -0.173 176.438 176.600 0.017 0.000 0.965 380 K CA -0.706 55.593 56.287 0.020 0.000 0.868 380 K CB 1.469 33.974 32.500 0.008 0.000 1.083 380 K HN 0.948 nan 8.250 nan 0.000 0.443 381 K N 3.024 123.440 120.400 0.027 0.000 2.368 381 K HA 0.158 4.478 4.320 0.001 0.000 0.282 381 K C 0.346 176.954 176.600 0.013 0.000 1.035 381 K CA 0.062 56.362 56.287 0.022 0.000 0.973 381 K CB 0.644 33.161 32.500 0.028 0.000 0.957 381 K HN 0.416 nan 8.250 nan 0.000 0.474 382 K N 0.000 120.405 120.400 0.008 0.000 2.780 382 K HA 0.000 4.320 4.320 0.001 0.000 0.191 382 K CA 0.000 56.289 56.287 0.003 0.000 0.838 382 K CB 0.000 32.499 32.500 -0.001 0.000 1.064 382 K HN 0.000 nan 8.250 nan 0.000 0.543