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 2uyb_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 DDGSFAENST 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 -0.009 0.000 2.045 6 D CA 0.000 53.996 54.000 -0.006 0.000 0.868 6 D CB 0.000 40.797 40.800 -0.006 0.000 0.688 7 I N 2.687 123.251 120.570 -0.010 0.000 2.405 7 I HA 0.265 4.435 4.170 -0.000 0.000 0.280 7 I C -2.004 174.105 176.117 -0.014 0.000 1.027 7 I CA -1.498 59.794 61.300 -0.012 0.000 1.161 7 I CB 1.612 39.606 38.000 -0.011 0.000 1.300 7 I HN 0.054 nan 8.210 nan 0.000 0.463 8 P HA 0.185 nan 4.420 nan 0.000 0.271 8 P C -1.055 176.234 177.300 -0.020 0.000 1.218 8 P CA -0.298 62.791 63.100 -0.018 0.000 0.780 8 P CB 1.031 32.717 31.700 -0.022 0.000 0.901 9 Q N 1.908 121.697 119.800 -0.019 0.000 2.375 9 Q HA 0.326 4.666 4.340 -0.000 0.000 0.271 9 Q C -2.377 173.610 176.000 -0.023 0.000 1.074 9 Q CA -2.036 53.755 55.803 -0.020 0.000 0.808 9 Q CB 2.272 31.000 28.738 -0.017 0.000 1.327 9 Q HN 0.357 nan 8.270 nan 0.000 0.441 10 P HA 0.234 nan 4.420 nan 0.000 0.241 10 P C -0.592 176.694 177.300 -0.024 0.000 1.760 10 P CA 0.384 63.467 63.100 -0.028 0.000 1.081 10 P CB -0.257 31.424 31.700 -0.031 0.000 1.975 11 I N 1.801 122.358 120.570 -0.021 0.000 2.499 11 I HA 0.406 4.576 4.170 -0.000 0.000 0.288 11 I C 0.329 176.436 176.117 -0.017 0.000 1.048 11 I CA -0.735 60.554 61.300 -0.018 0.000 1.062 11 I CB 3.088 41.079 38.000 -0.015 0.000 1.238 11 I HN -0.020 nan 8.210 nan 0.000 0.426 12 R N 4.781 125.271 120.500 -0.016 0.000 2.545 12 R HA 0.539 4.879 4.340 -0.000 0.000 0.289 12 R C 0.420 176.713 176.300 -0.012 0.000 1.327 12 R CA 0.342 56.434 56.100 -0.014 0.000 1.040 12 R CB 1.118 31.409 30.300 -0.015 0.000 1.176 12 R HN 0.936 nan 8.270 nan 0.000 0.518 13 G N 3.664 112.457 108.800 -0.011 0.000 2.574 13 G HA2 -0.435 3.525 3.960 -0.000 0.000 0.301 13 G HA3 -0.435 3.525 3.960 -0.000 0.000 0.301 13 G C 0.239 175.133 174.900 -0.010 0.000 1.166 13 G CA 0.665 45.759 45.100 -0.009 0.000 0.971 13 G HN 0.743 nan 8.290 nan 0.000 0.542 14 D N 1.429 121.823 120.400 -0.009 0.000 2.340 14 D HA 0.241 4.881 4.640 -0.000 0.000 0.217 14 D C 0.794 177.088 176.300 -0.010 0.000 1.081 14 D CA 0.526 54.520 54.000 -0.009 0.000 0.842 14 D CB 0.097 40.891 40.800 -0.008 0.000 0.934 14 D HN 0.628 nan 8.370 nan 0.000 0.511 15 K N 0.232 120.625 120.400 -0.011 0.000 2.118 15 K HA 0.572 4.892 4.320 -0.000 0.000 0.254 15 K C 0.648 177.240 176.600 -0.015 0.000 0.961 15 K CA -0.334 55.946 56.287 -0.012 0.000 0.876 15 K CB 1.846 34.338 32.500 -0.012 0.000 1.077 15 K HN 0.154 nan 8.250 nan 0.000 0.440 16 G N 0.356 109.146 108.800 -0.016 0.000 2.681 16 G HA2 0.127 4.087 3.960 -0.000 0.000 0.220 16 G HA3 0.127 4.087 3.960 -0.000 0.000 0.220 16 G C -1.125 173.766 174.900 -0.016 0.000 1.353 16 G CA -0.493 44.596 45.100 -0.018 0.000 0.872 16 G HN 0.955 nan 8.290 nan 0.000 0.557 17 A N -2.034 120.776 122.820 -0.017 0.000 2.566 17 A HA 0.995 5.315 4.320 -0.000 0.000 0.290 17 A C 0.194 177.768 177.584 -0.016 0.000 1.071 17 A CA 0.847 52.875 52.037 -0.015 0.000 0.658 17 A CB 0.427 19.419 19.000 -0.014 0.000 1.285 17 A HN 2.626 nan 8.150 nan 0.000 0.427 18 T N -0.505 114.041 114.554 -0.014 0.000 2.918 18 T HA 0.489 4.839 4.350 -0.000 0.000 0.302 18 T C 0.296 174.987 174.700 -0.015 0.000 1.045 18 T CA -0.339 61.753 62.100 -0.015 0.000 1.114 18 T CB 0.502 69.363 68.868 -0.012 0.000 0.965 18 T HN 1.131 nan 8.240 nan 0.000 0.540 19 V N 3.930 123.834 119.914 -0.016 0.000 2.521 19 V HA 0.159 4.279 4.120 -0.000 0.000 0.286 19 V C 1.272 177.357 176.094 -0.014 0.000 1.034 19 V CA -0.164 62.126 62.300 -0.017 0.000 1.045 19 V CB 0.700 32.512 31.823 -0.019 0.000 0.974 19 V HN 0.895 nan 8.190 nan 0.000 0.480 20 K N 3.943 124.336 120.400 -0.013 0.000 2.355 20 K HA 0.332 4.652 4.320 -0.000 0.000 0.198 20 K C 0.316 176.909 176.600 -0.011 0.000 1.039 20 K CA 0.206 56.487 56.287 -0.011 0.000 1.075 20 K CB 0.597 33.090 32.500 -0.011 0.000 0.870 20 K HN 0.799 nan 8.250 nan 0.000 0.540 21 I N -0.663 119.900 120.570 -0.012 0.000 2.947 21 I HA 0.470 4.640 4.170 -0.000 0.000 0.314 21 I C -2.432 173.678 176.117 -0.012 0.000 1.028 21 I CA -2.685 58.609 61.300 -0.011 0.000 1.077 21 I CB 0.484 38.477 38.000 -0.012 0.000 1.274 21 I HN -0.279 nan 8.210 nan 0.000 0.485 22 P HA 0.210 nan 4.420 nan 0.000 0.266 22 P C -1.237 176.055 177.300 -0.014 0.000 1.195 22 P CA -0.055 63.039 63.100 -0.011 0.000 0.768 22 P CB 0.396 32.090 31.700 -0.010 0.000 0.838 23 R N 0.699 121.190 120.500 -0.015 0.000 2.752 23 R HA 0.502 4.842 4.340 -0.000 0.000 0.271 23 R C -1.169 175.119 176.300 -0.020 0.000 1.026 23 R CA -0.994 55.095 56.100 -0.018 0.000 0.901 23 R CB 0.871 31.160 30.300 -0.020 0.000 1.243 23 R HN 0.133 nan 8.270 nan 0.000 0.463 24 N N 1.471 120.157 118.700 -0.024 0.000 2.678 24 N HA 0.140 4.880 4.740 -0.000 0.000 0.231 24 N C 0.117 175.610 175.510 -0.028 0.000 1.038 24 N CA -0.323 52.711 53.050 -0.026 0.000 0.932 24 N CB 1.005 39.473 38.487 -0.031 0.000 1.176 24 N HN 0.729 nan 8.380 nan 0.000 0.511 25 I N 3.002 123.558 120.570 -0.024 0.000 2.315 25 I HA -0.172 3.998 4.170 -0.000 0.000 0.248 25 I C 1.517 177.619 176.117 -0.026 0.000 1.117 25 I CA 1.401 62.686 61.300 -0.024 0.000 1.404 25 I CB 0.337 38.326 38.000 -0.019 0.000 1.071 25 I HN 0.436 nan 8.210 nan 0.000 0.419 26 E N 0.272 120.457 120.200 -0.025 0.000 2.058 26 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 26 E C 2.331 178.909 176.600 -0.036 0.000 0.997 26 E CA 1.398 57.782 56.400 -0.027 0.000 0.801 26 E CB -0.244 29.442 29.700 -0.024 0.000 0.746 26 E HN 0.396 nan 8.360 nan 0.000 0.450 27 R N 0.503 120.978 120.500 -0.042 0.000 2.081 27 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 27 R C 1.703 177.969 176.300 -0.056 0.000 1.131 27 R CA 1.417 57.484 56.100 -0.055 0.000 0.960 27 R CB -0.199 30.064 30.300 -0.061 0.000 0.856 27 R HN 0.190 nan 8.270 nan 0.000 0.436 28 D N 0.202 120.573 120.400 -0.048 0.000 2.149 28 D HA -0.145 4.495 4.640 -0.000 0.000 0.198 28 D C 1.881 178.153 176.300 -0.046 0.000 0.990 28 D CA 1.181 55.152 54.000 -0.047 0.000 0.839 28 D CB -0.109 40.668 40.800 -0.039 0.000 0.948 28 D HN 0.168 nan 8.370 nan 0.000 0.460 29 R N 0.189 120.665 120.500 -0.039 0.000 2.115 29 R HA -0.033 4.307 4.340 -0.000 0.000 0.230 29 R C 2.238 178.513 176.300 -0.041 0.000 1.111 29 R CA 0.819 56.898 56.100 -0.034 0.000 0.976 29 R CB -0.036 30.248 30.300 -0.026 0.000 0.870 29 R HN 0.340 nan 8.270 nan 0.000 0.445 30 Q N -0.091 119.679 119.800 -0.050 0.000 2.311 30 Q HA -0.001 4.339 4.340 -0.000 0.000 0.203 30 Q C -0.010 175.939 176.000 -0.084 0.000 0.954 30 Q CA 0.598 56.364 55.803 -0.062 0.000 0.885 30 Q CB 0.349 29.047 28.738 -0.067 0.000 0.963 30 Q HN 0.251 nan 8.270 nan 0.000 0.471 31 N N 0.742 119.391 118.700 -0.085 0.000 2.806 31 N HA 0.117 4.857 4.740 -0.000 0.000 0.315 31 N C -2.150 173.309 175.510 -0.085 0.000 1.738 31 N CA -1.162 51.826 53.050 -0.103 0.000 0.993 31 N CB 0.849 39.267 38.487 -0.114 0.000 1.324 31 N HN 0.126 nan 8.380 nan 0.000 0.493 32 P HA -0.081 nan 4.420 nan 0.000 0.218 32 P C 0.294 177.561 177.300 -0.055 0.000 1.149 32 P CA 1.194 64.264 63.100 -0.051 0.000 0.817 32 P CB 0.518 32.198 31.700 -0.034 0.000 0.785 33 D N -1.348 119.012 120.400 -0.068 0.000 2.328 33 D HA 0.145 4.785 4.640 -0.000 0.000 0.221 33 D C 1.666 177.895 176.300 -0.118 0.000 1.072 33 D CA 0.517 54.474 54.000 -0.071 0.000 0.850 33 D CB 0.254 41.024 40.800 -0.050 0.000 0.922 33 D HN 0.304 nan 8.370 nan 0.000 0.516 34 M N -0.514 119.008 119.600 -0.129 0.000 2.800 34 M HA 0.047 4.527 4.480 -0.000 0.000 0.257 34 M C 1.899 178.132 176.300 -0.111 0.000 1.309 34 M CA 0.126 55.333 55.300 -0.155 0.000 1.202 34 M CB 0.284 32.784 32.600 -0.166 0.000 1.273 34 M HN -0.078 nan 8.290 nan 0.000 0.528 35 L N 0.683 121.854 121.223 -0.086 0.000 2.056 35 L HA 0.025 4.365 4.340 -0.000 0.000 0.207 35 L C 0.600 177.435 176.870 -0.057 0.000 1.078 35 L CA 1.315 56.116 54.840 -0.065 0.000 0.749 35 L CB 0.271 42.297 42.059 -0.054 0.000 0.901 35 L HN 0.025 nan 8.230 nan 0.000 0.433 36 V N 1.093 120.974 119.914 -0.055 0.000 2.315 36 V HA 0.347 4.467 4.120 -0.000 0.000 0.265 36 V C -2.269 173.796 176.094 -0.048 0.000 1.019 36 V CA -1.456 60.817 62.300 -0.045 0.000 0.824 36 V CB 0.504 32.307 31.823 -0.032 0.000 1.072 36 V HN 0.123 nan 8.190 nan 0.000 0.448 37 P HA 0.251 nan 4.420 nan 0.000 0.272 37 P C -2.557 174.725 177.300 -0.030 0.000 1.230 37 P CA -1.154 61.908 63.100 -0.062 0.000 0.788 37 P CB -0.076 31.574 31.700 -0.084 0.000 0.949 38 P HA -0.025 nan 4.420 nan 0.000 0.267 38 P C 0.835 178.138 177.300 0.005 0.000 1.200 38 P CA 0.139 63.244 63.100 0.008 0.000 0.772 38 P CB 0.276 31.998 31.700 0.036 0.000 0.855 39 E N 0.621 120.823 120.200 0.005 0.000 2.265 39 E HA -0.173 4.177 4.350 -0.000 0.000 0.196 39 E C 0.774 177.385 176.600 0.019 0.000 0.996 39 E CA 1.514 57.917 56.400 0.006 0.000 0.832 39 E CB -0.905 28.795 29.700 -0.000 0.000 0.756 39 E HN 0.481 nan 8.360 nan 0.000 0.491 40 T N -1.588 112.981 114.554 0.025 0.000 3.160 40 T HA -0.008 4.341 4.350 -0.000 0.000 0.257 40 T C 0.190 174.934 174.700 0.075 0.000 1.147 40 T CA 0.128 62.251 62.100 0.039 0.000 1.064 40 T CB -0.159 68.728 68.868 0.032 0.000 0.949 40 T HN -0.033 nan 8.240 nan 0.000 0.526 41 D N 1.692 122.130 120.400 0.063 0.000 2.341 41 D HA 0.349 4.989 4.640 -0.000 0.000 0.245 41 D C -0.223 176.138 176.300 0.102 0.000 1.106 41 D CA 0.214 54.255 54.000 0.067 0.000 0.905 41 D CB 0.434 41.232 40.800 -0.004 0.000 1.202 41 D HN 0.367 nan 8.370 nan 0.000 0.426 42 H N 0.216 119.270 119.070 -0.027 0.000 3.112 42 H HA 0.458 5.013 4.556 -0.000 0.000 0.347 42 H C 0.031 175.253 175.328 -0.177 0.000 1.188 42 H CA 0.106 56.100 56.048 -0.090 0.000 1.240 42 H CB 1.320 31.026 29.762 -0.094 0.000 1.920 42 H HN 0.643 nan 8.280 nan 0.000 0.535 43 G N 1.887 110.085 108.800 -1.003 0.000 2.795 43 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.664 43 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.664 43 G C -0.725 174.054 174.900 -0.201 0.000 1.381 43 G CA -0.250 44.378 45.100 -0.787 0.000 0.853 43 G HN 0.666 nan 8.290 nan 0.000 0.545 44 T N 0.483 115.051 114.554 0.025 0.000 2.814 44 T HA 0.491 4.841 4.350 -0.000 0.000 0.297 44 T C 0.409 175.219 174.700 0.183 0.000 0.956 44 T CA 0.145 62.300 62.100 0.091 0.000 1.123 44 T CB 1.187 70.105 68.868 0.084 0.000 0.902 44 T HN 1.102 nan 8.240 nan 0.000 0.528 45 V N 3.058 123.050 119.914 0.131 0.000 2.709 45 V HA 0.350 4.470 4.120 -0.000 0.000 0.308 45 V C 0.391 176.585 176.094 0.166 0.000 1.062 45 V CA -1.052 61.346 62.300 0.162 0.000 0.901 45 V CB 2.264 34.215 31.823 0.213 0.000 1.003 45 V HN 0.927 nan 8.190 nan 0.000 0.425 46 S N 2.727 118.504 115.700 0.129 0.000 2.566 46 S HA 0.036 4.506 4.470 -0.000 0.000 0.280 46 S C 0.358 175.050 174.600 0.154 0.000 1.343 46 S CA 0.048 58.308 58.200 0.100 0.000 1.036 46 S CB 0.038 63.260 63.200 0.036 0.000 0.866 46 S HN 0.867 nan 8.310 nan 0.000 0.526 47 N N 1.352 120.118 118.700 0.110 0.000 2.454 47 N HA 0.010 4.750 4.740 -0.000 0.000 0.260 47 N C 0.076 175.499 175.510 -0.146 0.000 1.218 47 N CA 0.492 53.597 53.050 0.092 0.000 0.904 47 N CB 0.200 38.745 38.487 0.096 0.000 1.065 47 N HN 0.368 nan 8.380 nan 0.000 0.462 48 M N 2.152 121.410 119.600 -0.570 0.000 2.692 48 M HA 0.194 4.674 4.480 -0.000 0.000 0.372 48 M C -0.396 175.681 176.300 -0.372 0.000 1.192 48 M CA 0.041 54.991 55.300 -0.584 0.000 0.928 48 M CB -0.914 31.129 32.600 -0.929 0.000 1.366 48 M HN 0.558 nan 8.290 nan 0.000 0.517 49 K N 0.523 120.811 120.400 -0.187 0.000 2.553 49 K HA 0.556 4.876 4.320 -0.000 0.000 0.250 49 K C -2.267 174.401 176.600 0.113 0.000 0.953 49 K CA -0.304 55.980 56.287 -0.005 0.000 0.800 49 K CB 2.482 34.877 32.500 -0.175 0.000 1.243 49 K HN 0.001 nan 8.250 nan 0.000 0.435 50 F N 1.664 121.594 119.950 -0.034 0.000 2.615 50 F HA 0.302 4.831 4.527 0.003 0.000 0.312 50 F C -1.058 174.721 175.800 -0.035 0.000 1.119 50 F CA -0.405 57.563 58.000 -0.053 0.000 0.979 50 F CB 2.288 41.235 39.000 -0.088 0.000 1.266 50 F HN 0.424 nan 8.300 nan 0.000 0.444 51 S N 4.137 119.653 115.700 -0.306 0.000 2.480 51 S HA 0.343 4.813 4.470 -0.000 0.000 0.286 51 S C 0.850 175.514 174.600 0.106 0.000 1.180 51 S CA -0.362 57.806 58.200 -0.053 0.000 1.075 51 S CB 0.475 63.604 63.200 -0.118 0.000 0.996 51 S HN 0.566 nan 8.310 nan 0.000 0.487 52 F N 3.035 123.133 119.950 0.246 0.000 2.250 52 F HA -0.058 4.470 4.527 0.002 0.000 0.301 52 F C 2.694 178.584 175.800 0.150 0.000 1.077 52 F CA 1.181 59.331 58.000 0.251 0.000 1.348 52 F CB -0.297 38.861 39.000 0.264 0.000 1.040 52 F HN 0.544 nan 8.300 nan 0.000 0.509 53 S N -0.914 114.937 115.700 0.251 0.000 2.442 53 S HA -0.148 4.322 4.470 -0.000 0.000 0.236 53 S C 1.141 175.782 174.600 0.068 0.000 1.007 53 S CA 1.032 59.305 58.200 0.122 0.000 0.965 53 S CB -0.248 62.992 63.200 0.066 0.000 0.773 53 S HN 0.308 nan 8.310 nan 0.000 0.504 54 D N 1.832 122.253 120.400 0.035 0.000 2.370 54 D HA 0.094 4.734 4.640 -0.000 0.000 0.230 54 D C 0.562 176.974 176.300 0.187 0.000 1.143 54 D CA 0.223 54.224 54.000 0.001 0.000 0.834 54 D CB 0.228 40.848 40.800 -0.301 0.000 0.944 54 D HN 0.469 nan 8.370 nan 0.000 0.504 55 T N -2.813 111.877 114.554 0.227 0.000 2.908 55 T HA 0.296 4.646 4.350 -0.000 0.000 0.290 55 T C -0.172 174.654 174.700 0.210 0.000 1.034 55 T CA -0.902 61.356 62.100 0.262 0.000 1.010 55 T CB 2.182 71.233 68.868 0.304 0.000 1.068 55 T HN 0.048 nan 8.240 nan 0.000 0.481 56 H N 1.963 121.097 119.070 0.106 0.000 2.886 56 H HA 0.317 4.873 4.556 0.001 0.000 0.329 56 H C -0.118 175.258 175.328 0.079 0.000 1.044 56 H CA 0.193 56.283 56.048 0.069 0.000 1.456 56 H CB 0.368 30.160 29.762 0.049 0.000 1.464 56 H HN 0.567 nan 8.280 nan 0.000 0.573 57 N N 3.991 122.476 118.700 -0.359 0.000 2.437 57 N HA 0.112 4.852 4.740 -0.000 0.000 0.259 57 N C -0.977 174.323 175.510 -0.350 0.000 0.983 57 N CA -0.639 52.267 53.050 -0.241 0.000 0.937 57 N CB 0.608 38.936 38.487 -0.265 0.000 1.122 57 N HN 0.673 nan 8.380 nan 0.000 0.499 58 R N 4.763 125.233 120.500 -0.051 0.000 2.343 58 R HA 0.189 4.529 4.340 -0.000 0.000 0.326 58 R C -0.575 175.802 176.300 0.128 0.000 1.055 58 R CA -0.134 56.004 56.100 0.062 0.000 0.961 58 R CB 0.014 30.413 30.300 0.166 0.000 0.978 58 R HN 0.508 nan 8.270 nan 0.000 0.443 59 L N 4.553 125.824 121.223 0.079 0.000 2.289 59 L HA 0.439 4.779 4.340 -0.000 0.000 0.285 59 L C 0.115 177.073 176.870 0.147 0.000 1.049 59 L CA -0.607 54.311 54.840 0.130 0.000 0.804 59 L CB 1.430 43.530 42.059 0.068 0.000 1.195 59 L HN 0.573 nan 8.230 nan 0.000 0.428 60 E N 2.045 122.353 120.200 0.180 0.000 2.392 60 E HA 0.361 4.711 4.350 -0.000 0.000 0.269 60 E C -1.053 175.633 176.600 0.143 0.000 0.924 60 E CA -1.028 55.477 56.400 0.176 0.000 0.784 60 E CB 2.062 31.911 29.700 0.249 0.000 1.292 60 E HN 0.340 nan 8.360 nan 0.000 0.447 61 K N 0.389 120.870 120.400 0.135 0.000 2.351 61 K HA 0.333 4.653 4.320 -0.000 0.000 0.287 61 K C 0.708 177.377 176.600 0.114 0.000 1.068 61 K CA 0.771 57.127 56.287 0.115 0.000 0.998 61 K CB 0.030 32.599 32.500 0.116 0.000 0.968 61 K HN 0.804 nan 8.250 nan 0.000 0.464 62 G N 1.522 110.370 108.800 0.081 0.000 2.255 62 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.196 62 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.196 62 G C 0.386 175.296 174.900 0.017 0.000 0.998 62 G CA -0.386 44.740 45.100 0.043 0.000 0.656 62 G HN 1.059 nan 8.290 nan 0.000 0.490 63 G N -0.954 107.870 108.800 0.041 0.000 2.403 63 G HA2 0.669 4.629 3.960 -0.000 0.000 0.223 63 G HA3 0.669 4.629 3.960 -0.000 0.000 0.223 63 G C -0.871 174.079 174.900 0.082 0.000 1.287 63 G CA 0.427 45.512 45.100 -0.026 0.000 0.982 63 G HN 1.894 nan 8.290 nan 0.000 0.471 64 Y N -2.050 118.275 120.300 0.040 0.000 2.689 64 Y HA 0.911 5.461 4.550 -0.001 0.000 0.333 64 Y C -0.475 175.463 175.900 0.063 0.000 1.208 64 Y CA -1.444 56.692 58.100 0.060 0.000 1.055 64 Y CB 1.209 39.683 38.460 0.024 0.000 1.304 64 Y HN 1.979 nan 8.280 nan 0.000 0.455 65 A N 2.188 125.262 122.820 0.424 0.000 2.488 65 A HA 0.854 5.173 4.320 -0.000 0.000 0.295 65 A C -1.363 176.415 177.584 0.324 0.000 1.045 65 A CA -0.984 51.257 52.037 0.341 0.000 0.703 65 A CB 1.520 20.738 19.000 0.364 0.000 1.271 65 A HN 1.077 nan 8.150 nan 0.000 0.400 66 R N 1.477 122.169 120.500 0.320 0.000 2.771 66 R HA 0.801 5.141 4.340 -0.000 0.000 0.274 66 R C -1.009 175.591 176.300 0.500 0.000 0.987 66 R CA -0.742 55.568 56.100 0.350 0.000 0.908 66 R CB 1.916 32.404 30.300 0.314 0.000 1.213 66 R HN 0.796 nan 8.270 nan 0.000 0.468 67 E N 1.056 121.540 120.200 0.474 0.000 2.367 67 E HA 0.497 4.847 4.350 -0.000 0.000 0.273 67 E C -1.386 175.343 176.600 0.215 0.000 0.903 67 E CA -1.207 55.471 56.400 0.463 0.000 0.764 67 E CB 2.596 32.507 29.700 0.352 0.000 1.252 67 E HN 0.265 nan 8.360 nan 0.000 0.446 68 V N 2.134 122.094 119.914 0.078 0.000 2.407 68 V HA 0.452 4.572 4.120 -0.000 0.000 0.291 68 V C 0.060 176.155 176.094 0.002 0.000 1.018 68 V CA -0.084 62.134 62.300 -0.137 0.000 0.842 68 V CB 0.975 32.585 31.823 -0.355 0.000 0.996 68 V HN 0.948 nan 8.190 nan 0.000 0.426 69 T N 1.085 115.596 114.554 -0.072 0.000 2.724 69 T HA 0.396 4.746 4.350 -0.000 0.000 0.274 69 T C 0.932 175.565 174.700 -0.113 0.000 0.984 69 T CA -0.109 61.978 62.100 -0.022 0.000 1.024 69 T CB 1.663 70.543 68.868 0.019 0.000 1.320 69 T HN 0.105 nan 8.240 nan 0.000 0.555 70 V N 0.847 120.710 119.914 -0.085 0.000 2.720 70 V HA -0.061 4.059 4.120 -0.000 0.000 0.256 70 V C 2.621 178.630 176.094 -0.142 0.000 1.082 70 V CA 1.694 63.921 62.300 -0.121 0.000 1.101 70 V CB -0.961 30.809 31.823 -0.089 0.000 0.693 70 V HN 0.787 nan 8.190 nan 0.000 0.479 71 R N -0.639 119.778 120.500 -0.138 0.000 2.189 71 R HA -0.073 4.267 4.340 -0.000 0.000 0.218 71 R C 1.980 178.150 176.300 -0.217 0.000 1.074 71 R CA 1.321 57.335 56.100 -0.143 0.000 0.991 71 R CB 0.025 30.258 30.300 -0.112 0.000 0.883 71 R HN 0.491 nan 8.270 nan 0.000 0.457 72 E N -0.255 119.730 120.200 -0.358 0.000 2.206 72 E HA 0.064 4.414 4.350 -0.000 0.000 0.195 72 E C -0.313 175.875 176.600 -0.686 0.000 0.935 72 E CA 0.433 56.389 56.400 -0.739 0.000 0.875 72 E CB 0.437 29.428 29.700 -1.182 0.000 0.841 72 E HN -0.066 nan 8.360 nan 0.000 0.477 73 L N 2.283 123.238 121.223 -0.447 0.000 2.457 73 L HA 0.355 4.695 4.340 -0.000 0.000 0.252 73 L C -2.312 174.418 176.870 -0.233 0.000 1.132 73 L CA -1.863 52.808 54.840 -0.282 0.000 0.938 73 L CB 1.404 43.325 42.059 -0.231 0.000 1.246 73 L HN -0.115 nan 8.230 nan 0.000 0.476 74 P HA -0.123 nan 4.420 nan 0.000 0.223 74 P C 1.670 178.845 177.300 -0.207 0.000 1.151 74 P CA 0.709 63.710 63.100 -0.165 0.000 0.787 74 P CB 0.486 32.119 31.700 -0.111 0.000 0.788 75 I N 0.161 120.577 120.570 -0.255 0.000 2.335 75 I HA -0.133 4.037 4.170 -0.000 0.000 0.251 75 I C 1.102 176.820 176.117 -0.665 0.000 1.129 75 I CA 1.254 62.342 61.300 -0.354 0.000 1.402 75 I CB -0.540 37.283 38.000 -0.295 0.000 1.069 75 I HN -0.164 nan 8.210 nan 0.000 0.424 76 S N 0.631 115.880 115.700 -0.752 0.000 3.363 76 S HA 0.160 4.630 4.470 -0.000 0.000 0.267 76 S C 1.025 175.444 174.600 -0.302 0.000 1.288 76 S CA -0.383 57.326 58.200 -0.818 0.000 0.948 76 S CB -0.415 62.488 63.200 -0.495 0.000 1.397 76 S HN 0.407 nan 8.310 nan 0.000 0.493 77 E N 2.038 122.098 120.200 -0.234 0.000 2.385 77 E HA -0.033 4.317 4.350 -0.000 0.000 0.194 77 E C 1.374 177.951 176.600 -0.038 0.000 1.013 77 E CA 0.252 56.585 56.400 -0.111 0.000 0.866 77 E CB 0.129 29.776 29.700 -0.089 0.000 0.832 77 E HN 0.767 nan 8.360 nan 0.000 0.500 78 N N 0.416 119.112 118.700 -0.006 0.000 2.254 78 N HA 0.030 4.770 4.740 -0.000 0.000 0.190 78 N C 0.096 175.621 175.510 0.025 0.000 1.107 78 N CA 0.195 53.270 53.050 0.042 0.000 0.869 78 N CB 0.638 39.183 38.487 0.098 0.000 0.983 78 N HN 0.028 nan 8.380 nan 0.000 0.487 79 L N 0.203 121.423 121.223 -0.004 0.000 2.482 79 L HA 0.765 5.105 4.340 -0.000 0.000 0.263 79 L C -1.101 175.671 176.870 -0.163 0.000 0.957 79 L CA -0.851 53.906 54.840 -0.139 0.000 0.836 79 L CB 2.232 44.149 42.059 -0.237 0.000 1.324 79 L HN 0.095 nan 8.230 nan 0.000 0.406 80 A N 1.689 124.387 122.820 -0.204 0.000 2.532 80 A HA 0.935 5.255 4.320 -0.000 0.000 0.290 80 A C -1.195 176.321 177.584 -0.114 0.000 1.143 80 A CA -0.580 51.422 52.037 -0.057 0.000 0.728 80 A CB 2.289 21.349 19.000 0.100 0.000 1.317 80 A HN 0.493 nan 8.150 nan 0.000 0.414 81 S N -0.759 115.014 115.700 0.122 0.000 2.536 81 S HA 0.650 5.120 4.470 -0.000 0.000 0.271 81 S C -1.751 173.127 174.600 0.465 0.000 1.134 81 S CA -0.364 57.959 58.200 0.205 0.000 0.897 81 S CB 1.528 64.952 63.200 0.372 0.000 1.094 81 S HN 1.205 nan 8.310 nan 0.000 0.473 82 V N 4.493 124.658 119.914 0.419 0.000 2.540 82 V HA 0.506 4.626 4.120 -0.000 0.000 0.302 82 V C -0.020 176.144 176.094 0.117 0.000 1.035 82 V CA -0.932 61.617 62.300 0.415 0.000 0.873 82 V CB 1.718 33.830 31.823 0.481 0.000 0.992 82 V HN 0.908 nan 8.190 nan 0.000 0.428 83 N N 5.091 123.727 118.700 -0.108 0.000 2.462 83 N HA 0.528 5.268 4.740 -0.000 0.000 0.242 83 N C -0.667 174.725 175.510 -0.198 0.000 1.010 83 N CA -0.443 52.359 53.050 -0.413 0.000 0.939 83 N CB 0.777 38.719 38.487 -0.908 0.000 1.127 83 N HN 0.748 nan 8.380 nan 0.000 0.509 84 M N 3.331 122.680 119.600 -0.419 0.000 2.436 84 M HA 0.429 4.909 4.480 -0.000 0.000 0.331 84 M C -1.091 174.703 176.300 -0.842 0.000 1.135 84 M CA -0.815 54.167 55.300 -0.531 0.000 0.987 84 M CB 1.447 33.736 32.600 -0.519 0.000 1.687 84 M HN 0.498 nan 8.290 nan 0.000 0.445 85 R N 4.257 124.313 120.500 -0.739 0.000 2.575 85 R HA 0.750 5.090 4.340 -0.000 0.000 0.293 85 R C -2.422 173.631 176.300 -0.412 0.000 0.983 85 R CA -0.343 55.322 56.100 -0.725 0.000 0.887 85 R CB 1.439 30.933 30.300 -1.344 0.000 1.184 85 R HN 0.836 nan 8.270 nan 0.000 0.445 86 L N 3.922 125.058 121.223 -0.145 0.000 2.365 86 L HA 0.568 4.908 4.340 -0.000 0.000 0.273 86 L C -0.100 176.774 176.870 0.007 0.000 1.000 86 L CA -1.080 53.745 54.840 -0.024 0.000 0.819 86 L CB 2.285 44.409 42.059 0.110 0.000 1.284 86 L HN 0.600 nan 8.230 nan 0.000 0.418 87 K N 2.247 122.645 120.400 -0.003 0.000 2.102 87 K HA 0.331 4.651 4.320 -0.000 0.000 0.244 87 K C -2.400 174.217 176.600 0.028 0.000 1.021 87 K CA -1.583 54.717 56.287 0.022 0.000 0.913 87 K CB 0.246 32.757 32.500 0.018 0.000 1.062 87 K HN 0.239 nan 8.250 nan 0.000 0.485 88 P HA -0.085 nan 4.420 nan 0.000 0.261 88 P C 0.431 177.730 177.300 -0.001 0.000 1.183 88 P CA 1.141 64.256 63.100 0.024 0.000 0.761 88 P CB 0.391 32.109 31.700 0.030 0.000 0.785 89 G N 2.332 111.121 108.800 -0.019 0.000 2.253 89 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.251 89 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.251 89 G C 0.499 175.344 174.900 -0.091 0.000 0.998 89 G CA 0.048 45.121 45.100 -0.045 0.000 0.621 89 G HN 0.851 nan 8.290 nan 0.000 0.524 90 A N 0.020 122.789 122.820 -0.085 0.000 2.407 90 A HA 0.689 5.009 4.320 -0.000 0.000 0.248 90 A C 0.257 177.705 177.584 -0.227 0.000 1.082 90 A CA 0.310 52.257 52.037 -0.150 0.000 0.785 90 A CB 0.309 19.263 19.000 -0.078 0.000 1.020 90 A HN 0.834 nan 8.150 nan 0.000 0.489 91 I N 1.201 121.495 120.570 -0.461 0.000 2.433 91 I HA 0.351 4.521 4.170 -0.000 0.000 0.292 91 I C 0.232 176.139 176.117 -0.350 0.000 1.001 91 I CA -0.731 60.267 61.300 -0.504 0.000 1.119 91 I CB 1.827 39.274 38.000 -0.921 0.000 1.289 91 I HN 0.706 nan 8.210 nan 0.000 0.438 92 R N 6.163 126.592 120.500 -0.118 0.000 2.220 92 R HA 0.143 4.483 4.340 -0.000 0.000 0.340 92 R C -0.020 176.335 176.300 0.091 0.000 1.076 92 R CA -0.219 55.863 56.100 -0.030 0.000 0.920 92 R CB 0.223 30.575 30.300 0.087 0.000 1.062 92 R HN 0.563 nan 8.270 nan 0.000 0.469 93 E N 4.147 124.453 120.200 0.176 0.000 2.568 93 E HA -0.115 4.235 4.350 -0.000 0.000 0.262 93 E C -0.345 176.447 176.600 0.320 0.000 0.961 93 E CA 0.010 56.616 56.400 0.343 0.000 0.945 93 E CB 0.472 30.381 29.700 0.348 0.000 0.924 93 E HN 0.591 nan 8.360 nan 0.000 0.467 94 L N 6.205 127.566 121.223 0.229 0.000 2.795 94 L HA -0.156 4.184 4.340 -0.000 0.000 0.290 94 L C 0.560 177.560 176.870 0.217 0.000 1.206 94 L CA 1.000 55.919 54.840 0.132 0.000 0.919 94 L CB -0.442 41.691 42.059 0.123 0.000 1.227 94 L HN 0.598 nan 8.230 nan 0.000 0.483 95 H N 2.263 121.340 119.070 0.012 0.000 2.932 95 H HA 0.471 5.027 4.556 -0.001 0.000 0.307 95 H C -1.558 173.730 175.328 -0.067 0.000 1.391 95 H CA -1.124 54.939 56.048 0.025 0.000 1.130 95 H CB 1.012 30.758 29.762 -0.028 0.000 1.836 95 H HN 0.588 nan 8.280 nan 0.000 0.522 96 W N 0.563 121.754 121.300 -0.183 0.000 3.042 96 W HA 0.663 5.323 4.660 -0.000 0.000 0.342 96 W C -1.843 174.639 176.519 -0.062 0.000 1.240 96 W CA -0.942 56.181 57.345 -0.370 0.000 1.166 96 W CB 0.857 30.153 29.460 -0.273 0.000 1.469 96 W HN 1.003 nan 8.180 nan 0.000 0.579 97 H N -1.769 117.551 119.070 0.417 0.000 2.990 97 H HA 0.477 5.033 4.556 0.000 0.000 0.336 97 H C 0.309 175.865 175.328 0.379 0.000 1.306 97 H CA -1.345 54.931 56.048 0.380 0.000 1.118 97 H CB 1.314 31.305 29.762 0.383 0.000 1.856 97 H HN 0.426 nan 8.280 nan 0.000 0.538 98 K N -0.209 120.485 120.400 0.489 0.000 2.097 98 K HA -0.054 4.266 4.320 -0.000 0.000 0.206 98 K C -0.289 176.521 176.600 0.350 0.000 1.049 98 K CA 1.354 57.849 56.287 0.348 0.000 0.933 98 K CB -0.065 32.594 32.500 0.266 0.000 0.717 98 K HN 0.514 nan 8.250 nan 0.000 0.442 99 E N 0.711 121.165 120.200 0.422 0.000 2.373 99 E HA 0.188 4.538 4.350 -0.000 0.000 0.267 99 E C -0.577 176.276 176.600 0.422 0.000 1.032 99 E CA -0.219 56.402 56.400 0.369 0.000 0.889 99 E CB 0.884 30.794 29.700 0.350 0.000 0.984 99 E HN 0.204 nan 8.360 nan 0.000 0.425 100 A N 2.842 125.807 122.820 0.241 0.000 2.425 100 A HA 0.179 4.499 4.320 -0.000 0.000 0.242 100 A C 0.018 177.629 177.584 0.045 0.000 1.077 100 A CA -0.099 51.979 52.037 0.068 0.000 0.781 100 A CB 0.277 19.255 19.000 -0.037 0.000 1.020 100 A HN 0.680 nan 8.150 nan 0.000 0.494 101 E N 0.994 121.121 120.200 -0.122 0.000 2.224 101 E HA 0.428 4.778 4.350 -0.000 0.000 0.265 101 E C -1.628 174.806 176.600 -0.277 0.000 0.878 101 E CA -0.504 55.789 56.400 -0.178 0.000 0.759 101 E CB 1.058 30.866 29.700 0.181 0.000 1.164 101 E HN 0.683 nan 8.360 nan 0.000 0.414 102 W N 4.156 125.201 121.300 -0.425 0.000 2.627 102 W HA 0.713 5.373 4.660 0.001 0.000 0.339 102 W C -1.498 174.729 176.519 -0.487 0.000 1.058 102 W CA -0.399 56.777 57.345 -0.282 0.000 1.223 102 W CB 1.716 31.118 29.460 -0.097 0.000 1.389 102 W HN 0.599 nan 8.180 nan 0.000 0.541 103 A N 4.436 126.498 122.820 -1.264 0.000 2.475 103 A HA 0.635 4.955 4.320 -0.000 0.000 0.301 103 A C -2.583 174.067 177.584 -1.556 0.000 1.059 103 A CA -0.602 50.598 52.037 -1.395 0.000 0.710 103 A CB 1.335 19.027 19.000 -2.180 0.000 1.288 103 A HN 0.749 nan 8.150 nan 0.000 0.408 104 Y N 1.676 121.379 120.300 -0.995 0.000 2.338 104 Y HA 0.606 5.156 4.550 -0.000 0.000 0.333 104 Y C -0.382 175.317 175.900 -0.335 0.000 0.968 104 Y CA -0.983 56.747 58.100 -0.616 0.000 1.123 104 Y CB 1.921 40.262 38.460 -0.199 0.000 1.165 104 Y HN 0.680 nan 8.280 nan 0.000 0.452 105 M N 7.804 126.926 119.600 -0.798 0.000 2.193 105 M HA 0.321 4.801 4.480 -0.000 0.000 0.342 105 M C -0.637 175.395 176.300 -0.446 0.000 1.413 105 M CA 0.610 55.637 55.300 -0.455 0.000 1.191 105 M CB -0.189 32.178 32.600 -0.388 0.000 1.633 105 M HN 0.823 nan 8.290 nan 0.000 0.458 106 I N 3.942 124.481 120.570 -0.051 0.000 2.400 106 I HA -0.001 4.169 4.170 -0.000 0.000 0.248 106 I C -0.045 176.159 176.117 0.145 0.000 1.109 106 I CA 0.478 61.856 61.300 0.131 0.000 1.425 106 I CB -0.033 38.135 38.000 0.280 0.000 1.094 106 I HN 0.619 nan 8.210 nan 0.000 0.425 107 Y N 0.876 121.193 120.300 0.029 0.000 2.477 107 Y HA 0.585 5.135 4.550 -0.000 0.000 0.347 107 Y C 0.282 176.202 175.900 0.033 0.000 0.981 107 Y CA -0.269 57.849 58.100 0.031 0.000 1.033 107 Y CB 1.301 39.789 38.460 0.046 0.000 1.245 107 Y HN 0.240 nan 8.280 nan 0.000 0.455 108 G N 2.688 110.892 108.800 -0.993 0.000 2.512 108 G HA2 0.206 4.166 3.960 -0.000 0.000 0.240 108 G HA3 0.206 4.166 3.960 -0.000 0.000 0.240 108 G C -0.750 173.965 174.900 -0.309 0.000 1.246 108 G CA -0.106 44.520 45.100 -0.790 0.000 0.919 108 G HN 1.837 nan 8.290 nan 0.000 0.577 109 S N -1.453 114.144 115.700 -0.170 0.000 2.615 109 S HA 1.014 5.483 4.470 -0.000 0.000 0.269 109 S C -0.463 174.110 174.600 -0.045 0.000 1.161 109 S CA 0.444 58.584 58.200 -0.100 0.000 0.817 109 S CB 1.435 64.569 63.200 -0.110 0.000 1.131 109 S HN 2.758 nan 8.310 nan 0.000 0.467 110 A N 0.633 123.426 122.820 -0.044 0.000 2.604 110 A HA 0.831 5.151 4.320 -0.000 0.000 0.295 110 A C -1.090 176.447 177.584 -0.079 0.000 1.067 110 A CA -0.846 51.158 52.037 -0.054 0.000 0.683 110 A CB 1.513 20.469 19.000 -0.073 0.000 1.281 110 A HN 0.988 nan 8.150 nan 0.000 0.407 111 R N 0.676 121.116 120.500 -0.100 0.000 2.265 111 R HA 0.624 4.964 4.340 -0.000 0.000 0.319 111 R C -0.550 175.649 176.300 -0.169 0.000 1.006 111 R CA -0.295 55.736 56.100 -0.115 0.000 0.880 111 R CB 1.106 31.347 30.300 -0.099 0.000 1.077 111 R HN 1.081 nan 8.270 nan 0.000 0.454 112 V N 0.839 120.649 119.914 -0.174 0.000 2.769 112 V HA 0.752 4.872 4.120 -0.000 0.000 0.312 112 V C -0.265 175.747 176.094 -0.138 0.000 1.058 112 V CA -0.597 61.572 62.300 -0.218 0.000 0.952 112 V CB 1.718 33.376 31.823 -0.275 0.000 1.019 112 V HN 0.922 nan 8.190 nan 0.000 0.445 113 T N 1.718 116.159 114.554 -0.190 0.000 2.907 113 T HA 0.828 5.178 4.350 -0.000 0.000 0.292 113 T C -0.819 173.708 174.700 -0.287 0.000 1.043 113 T CA -0.574 61.431 62.100 -0.158 0.000 1.003 113 T CB 1.787 70.575 68.868 -0.132 0.000 1.084 113 T HN 1.263 nan 8.240 nan 0.000 0.483 114 I N 1.679 122.120 120.570 -0.214 0.000 2.722 114 I HA 0.645 4.815 4.170 -0.000 0.000 0.292 114 I C -1.841 174.159 176.117 -0.196 0.000 1.267 114 I CA -1.037 60.036 61.300 -0.378 0.000 1.036 114 I CB 2.016 39.555 38.000 -0.769 0.000 1.281 114 I HN 0.644 nan 8.210 nan 0.000 0.423 115 V N 6.275 126.071 119.914 -0.197 0.000 2.487 115 V HA 0.394 4.514 4.120 -0.000 0.000 0.298 115 V C -0.556 175.471 176.094 -0.112 0.000 1.028 115 V CA -0.547 61.692 62.300 -0.101 0.000 0.860 115 V CB 1.657 33.434 31.823 -0.076 0.000 0.991 115 V HN 0.838 nan 8.190 nan 0.000 0.427 116 D N 3.676 124.057 120.400 -0.032 0.000 2.478 116 D HA 0.108 4.748 4.640 -0.000 0.000 0.269 116 D C 1.042 177.335 176.300 -0.011 0.000 1.232 116 D CA -0.523 53.476 54.000 -0.001 0.000 1.059 116 D CB 0.596 41.473 40.800 0.128 0.000 1.104 116 D HN 0.555 nan 8.370 nan 0.000 0.566 117 E N -0.329 119.873 120.200 0.003 0.000 2.511 117 E HA -0.125 4.225 4.350 -0.000 0.000 0.196 117 E C 0.294 176.892 176.600 -0.003 0.000 1.066 117 E CA 0.527 56.916 56.400 -0.017 0.000 0.871 117 E CB -0.200 29.492 29.700 -0.012 0.000 0.863 117 E HN 0.399 nan 8.360 nan 0.000 0.520 118 K N 0.194 120.604 120.400 0.017 0.000 2.373 118 K HA 0.169 4.489 4.320 -0.000 0.000 0.202 118 K C 0.728 177.336 176.600 0.014 0.000 1.025 118 K CA 0.366 56.663 56.287 0.017 0.000 1.115 118 K CB 0.889 33.408 32.500 0.031 0.000 0.858 118 K HN 0.268 nan 8.250 nan 0.000 0.525 119 G N 2.644 111.448 108.800 0.007 0.000 2.160 119 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.251 119 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.251 119 G C -0.244 174.669 174.900 0.022 0.000 1.008 119 G CA 0.062 45.164 45.100 0.004 0.000 0.724 119 G HN 0.288 nan 8.290 nan 0.000 0.514 120 R N 0.403 120.930 120.500 0.045 0.000 2.368 120 R HA 0.591 4.931 4.340 -0.000 0.000 0.302 120 R C 0.522 176.881 176.300 0.098 0.000 1.002 120 R CA 0.259 56.403 56.100 0.074 0.000 0.929 120 R CB 1.455 31.814 30.300 0.099 0.000 1.073 120 R HN 0.459 nan 8.270 nan 0.000 0.464 121 S N 2.478 118.239 115.700 0.102 0.000 2.578 121 S HA 0.622 5.092 4.470 -0.000 0.000 0.301 121 S C -0.871 173.861 174.600 0.220 0.000 1.091 121 S CA -0.748 57.520 58.200 0.113 0.000 1.032 121 S CB 1.347 64.570 63.200 0.038 0.000 1.064 121 S HN 0.533 nan 8.310 nan 0.000 0.508 122 F N 1.929 121.915 119.950 0.059 0.000 2.557 122 F HA 0.728 5.256 4.527 0.000 0.000 0.316 122 F C -1.558 174.269 175.800 0.046 0.000 1.141 122 F CA -0.901 57.171 58.000 0.120 0.000 0.922 122 F CB 1.224 40.423 39.000 0.332 0.000 1.194 122 F HN 0.642 nan 8.300 nan 0.000 0.443 123 I N 5.375 125.659 120.570 -0.477 0.000 2.534 123 I HA 0.418 4.588 4.170 -0.000 0.000 0.288 123 I C -1.606 174.192 176.117 -0.530 0.000 1.077 123 I CA -0.551 60.545 61.300 -0.340 0.000 1.051 123 I CB 2.119 40.005 38.000 -0.191 0.000 1.234 123 I HN 0.512 nan 8.210 nan 0.000 0.425 124 D N 3.658 123.859 120.400 -0.332 0.000 2.654 124 D HA 0.352 4.992 4.640 -0.000 0.000 0.231 124 D C -1.733 174.510 176.300 -0.094 0.000 1.239 124 D CA -0.345 53.505 54.000 -0.251 0.000 0.790 124 D CB 2.469 43.139 40.800 -0.216 0.000 1.480 124 D HN 0.263 nan 8.370 nan 0.000 0.442 125 D N 0.322 120.679 120.400 -0.072 0.000 2.175 125 D HA 0.506 5.146 4.640 -0.000 0.000 0.248 125 D C -0.560 175.729 176.300 -0.018 0.000 1.047 125 D CA -0.205 53.764 54.000 -0.051 0.000 0.883 125 D CB 1.930 42.692 40.800 -0.063 0.000 1.180 125 D HN -0.012 nan 8.370 nan 0.000 0.438 126 V N 1.395 121.303 119.914 -0.010 0.000 2.531 126 V HA 0.736 4.856 4.120 -0.000 0.000 0.301 126 V C 0.625 176.683 176.094 -0.060 0.000 1.034 126 V CA -0.603 61.699 62.300 0.003 0.000 0.865 126 V CB 1.921 33.825 31.823 0.136 0.000 0.995 126 V HN 0.615 nan 8.190 nan 0.000 0.424 127 G N 2.590 111.325 108.800 -0.107 0.000 2.667 127 G HA2 0.596 4.556 3.960 -0.000 0.000 0.310 127 G HA3 0.596 4.556 3.960 -0.000 0.000 0.310 127 G C -0.603 174.176 174.900 -0.201 0.000 1.259 127 G CA -0.701 44.314 45.100 -0.142 0.000 1.019 127 G HN 0.670 nan 8.290 nan 0.000 0.496 128 E N -0.499 119.578 120.200 -0.204 0.000 2.652 128 E HA 0.287 4.637 4.350 -0.000 0.000 0.255 128 E C 1.223 177.654 176.600 -0.282 0.000 0.952 128 E CA 1.390 57.648 56.400 -0.237 0.000 0.947 128 E CB 0.390 29.999 29.700 -0.153 0.000 0.912 128 E HN 1.091 nan 8.360 nan 0.000 0.489 129 G N 3.124 111.632 108.800 -0.486 0.000 2.176 129 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.253 129 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.253 129 G C -0.152 174.519 174.900 -0.382 0.000 0.979 129 G CA 0.117 44.960 45.100 -0.428 0.000 0.641 129 G HN 0.555 nan 8.290 nan 0.000 0.530 130 D N 0.154 120.307 120.400 -0.411 0.000 2.294 130 D HA 0.691 5.331 4.640 -0.000 0.000 0.250 130 D C 0.922 176.989 176.300 -0.388 0.000 1.058 130 D CA -0.139 53.681 54.000 -0.300 0.000 0.950 130 D CB 1.244 41.920 40.800 -0.205 0.000 1.158 130 D HN 0.309 nan 8.370 nan 0.000 0.453 131 L N 0.253 121.292 121.223 -0.306 0.000 2.319 131 L HA 0.665 5.005 4.340 -0.000 0.000 0.267 131 L C -0.742 175.995 176.870 -0.220 0.000 1.011 131 L CA -1.182 53.389 54.840 -0.449 0.000 0.818 131 L CB 1.266 43.113 42.059 -0.354 0.000 1.316 131 L HN 0.490 nan 8.230 nan 0.000 0.432 132 W N 0.809 121.885 121.300 -0.373 0.000 2.882 132 W HA 0.693 5.353 4.660 -0.001 0.000 0.345 132 W C -1.807 174.565 176.519 -0.244 0.000 1.125 132 W CA -1.462 55.741 57.345 -0.236 0.000 1.167 132 W CB 0.575 29.751 29.460 -0.473 0.000 1.431 132 W HN 0.334 nan 8.180 nan 0.000 0.543 133 Y N 2.788 123.138 120.300 0.084 0.000 2.354 133 Y HA 0.596 5.146 4.550 -0.001 0.000 0.330 133 Y C -1.951 173.978 175.900 0.048 0.000 1.011 133 Y CA -1.947 56.104 58.100 -0.082 0.000 1.099 133 Y CB 1.052 39.385 38.460 -0.212 0.000 1.179 133 Y HN 0.345 nan 8.280 nan 0.000 0.442 134 F N 7.398 127.209 119.950 -0.232 0.000 2.402 134 F HA 0.542 5.068 4.527 -0.001 0.000 0.355 134 F C -2.296 173.255 175.800 -0.414 0.000 1.123 134 F CA -3.462 54.354 58.000 -0.306 0.000 1.021 134 F CB 1.064 39.750 39.000 -0.523 0.000 1.160 134 F HN 0.371 nan 8.300 nan 0.000 0.451 135 P HA 0.047 nan 4.420 nan 0.000 0.269 135 P C -0.307 177.062 177.300 0.115 0.000 1.217 135 P CA -0.276 62.892 63.100 0.113 0.000 0.783 135 P CB 0.424 32.291 31.700 0.278 0.000 0.898 136 S N 0.829 116.620 115.700 0.151 0.000 2.558 136 S HA 0.242 4.712 4.470 -0.000 0.000 0.293 136 S C 1.437 176.143 174.600 0.176 0.000 1.292 136 S CA 0.279 58.601 58.200 0.203 0.000 1.063 136 S CB -0.898 62.414 63.200 0.188 0.000 0.831 136 S HN 1.024 nan 8.310 nan 0.000 0.499 137 G N 2.001 110.936 108.800 0.226 0.000 2.212 137 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.266 137 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.266 137 G C -0.007 174.919 174.900 0.044 0.000 0.978 137 G CA 0.336 45.535 45.100 0.166 0.000 0.632 137 G HN 0.804 nan 8.290 nan 0.000 0.537 138 L N 2.651 123.902 121.223 0.047 0.000 2.290 138 L HA 0.404 4.744 4.340 -0.000 0.000 0.284 138 L C -1.608 175.241 176.870 -0.035 0.000 1.078 138 L CA -2.038 52.769 54.840 -0.056 0.000 0.815 138 L CB 1.112 43.109 42.059 -0.102 0.000 1.162 138 L HN -0.014 nan 8.230 nan 0.000 0.435 139 P HA 0.210 nan 4.420 nan 0.000 0.279 139 P C -1.278 175.826 177.300 -0.327 0.000 1.239 139 P CA 0.098 63.074 63.100 -0.207 0.000 0.789 139 P CB 0.982 32.575 31.700 -0.179 0.000 0.933 140 H N -0.560 118.208 119.070 -0.504 0.000 2.981 140 H HA 0.650 5.206 4.556 -0.001 0.000 0.327 140 H C -1.330 173.705 175.328 -0.488 0.000 1.342 140 H CA -0.957 54.683 56.048 -0.679 0.000 1.123 140 H CB 1.129 30.119 29.762 -1.286 0.000 1.851 140 H HN 0.498 nan 8.280 nan 0.000 0.531 141 S N 0.514 116.057 115.700 -0.261 0.000 2.607 141 S HA 0.743 5.213 4.470 -0.000 0.000 0.273 141 S C -1.060 173.474 174.600 -0.110 0.000 1.148 141 S CA -0.903 57.235 58.200 -0.105 0.000 0.833 141 S CB 1.864 65.019 63.200 -0.074 0.000 1.130 141 S HN 0.580 nan 8.310 nan 0.000 0.470 142 I N 0.940 121.486 120.570 -0.039 0.000 2.533 142 I HA 0.521 4.691 4.170 -0.000 0.000 0.290 142 I C -0.722 175.348 176.117 -0.078 0.000 1.056 142 I CA -0.394 60.836 61.300 -0.118 0.000 1.057 142 I CB 2.198 40.157 38.000 -0.070 0.000 1.240 142 I HN 0.750 nan 8.210 nan 0.000 0.423 143 Q N 4.793 124.530 119.800 -0.106 0.000 2.309 143 Q HA 0.718 5.058 4.340 -0.000 0.000 0.270 143 Q C -0.961 175.003 176.000 -0.060 0.000 1.023 143 Q CA -0.691 55.056 55.803 -0.093 0.000 0.758 143 Q CB 2.081 30.753 28.738 -0.110 0.000 1.247 143 Q HN 0.841 nan 8.270 nan 0.000 0.455 144 A N 4.447 127.256 122.820 -0.017 0.000 2.445 144 A HA 0.360 4.679 4.320 -0.000 0.000 0.242 144 A C -0.203 177.372 177.584 -0.015 0.000 1.075 144 A CA -0.149 51.897 52.037 0.016 0.000 0.777 144 A CB 0.275 19.314 19.000 0.064 0.000 1.013 144 A HN 0.864 nan 8.150 nan 0.000 0.493 145 L N 0.695 121.907 121.223 -0.019 0.000 2.985 145 L HA 0.272 4.612 4.340 -0.000 0.000 0.201 145 L C 2.151 179.012 176.870 -0.015 0.000 1.291 145 L CA -0.545 54.277 54.840 -0.029 0.000 1.141 145 L CB -0.097 41.936 42.059 -0.045 0.000 2.131 145 L HN 0.943 nan 8.230 nan 0.000 0.538 146 E N 0.109 120.296 120.200 -0.020 0.000 2.265 146 E HA -0.202 4.148 4.350 -0.000 0.000 0.196 146 E C 1.042 177.650 176.600 0.012 0.000 0.996 146 E CA 1.311 57.708 56.400 -0.005 0.000 0.832 146 E CB -0.186 29.508 29.700 -0.010 0.000 0.756 146 E HN 0.497 nan 8.360 nan 0.000 0.491 147 E N 1.028 121.226 120.200 -0.005 0.000 2.479 147 E HA 0.164 4.514 4.350 -0.000 0.000 0.193 147 E C 1.014 177.699 176.600 0.142 0.000 1.049 147 E CA 0.633 57.049 56.400 0.027 0.000 0.870 147 E CB 0.310 29.938 29.700 -0.120 0.000 0.944 147 E HN 0.401 nan 8.360 nan 0.000 0.492 148 G N 1.229 110.093 108.800 0.105 0.000 2.698 148 G HA2 -0.025 3.934 3.960 -0.000 0.000 0.233 148 G HA3 -0.025 3.934 3.960 -0.000 0.000 0.233 148 G C -0.451 174.561 174.900 0.187 0.000 1.352 148 G CA -0.321 44.877 45.100 0.163 0.000 0.879 148 G HN 0.576 nan 8.290 nan 0.000 0.567 149 A N -0.606 122.382 122.820 0.280 0.000 2.566 149 A HA 0.837 5.157 4.320 -0.000 0.000 0.297 149 A C -0.623 177.189 177.584 0.379 0.000 1.059 149 A CA 0.766 53.010 52.037 0.345 0.000 0.691 149 A CB 1.908 21.125 19.000 0.361 0.000 1.282 149 A HN 1.440 nan 8.150 nan 0.000 0.401 150 E N 0.874 121.321 120.200 0.412 0.000 2.278 150 E HA 0.700 5.050 4.350 -0.000 0.000 0.272 150 E C -1.642 175.060 176.600 0.168 0.000 0.890 150 E CA -0.485 55.969 56.400 0.090 0.000 0.770 150 E CB 1.340 31.053 29.700 0.023 0.000 1.212 150 E HN 0.790 nan 8.360 nan 0.000 0.415 151 F N 1.965 121.899 119.950 -0.027 0.000 2.645 151 F HA 0.593 5.120 4.527 -0.001 0.000 0.310 151 F C -1.858 173.862 175.800 -0.134 0.000 1.102 151 F CA -1.347 56.591 58.000 -0.102 0.000 0.952 151 F CB 0.828 39.717 39.000 -0.185 0.000 1.326 151 F HN 0.298 nan 8.300 nan 0.000 0.456 152 L N 2.962 124.195 121.223 0.018 0.000 2.296 152 L HA 0.718 5.057 4.340 -0.000 0.000 0.286 152 L C -1.428 175.419 176.870 -0.038 0.000 1.023 152 L CA -0.433 54.357 54.840 -0.083 0.000 0.812 152 L CB 1.318 43.297 42.059 -0.132 0.000 1.223 152 L HN 0.701 nan 8.230 nan 0.000 0.421 153 L N 5.681 126.869 121.223 -0.059 0.000 2.325 153 L HA 0.713 5.053 4.340 -0.000 0.000 0.278 153 L C -0.855 175.776 176.870 -0.399 0.000 1.023 153 L CA -0.891 53.805 54.840 -0.240 0.000 0.811 153 L CB 1.879 43.827 42.059 -0.185 0.000 1.249 153 L HN 0.310 nan 8.230 nan 0.000 0.431 154 V N 2.467 122.043 119.914 -0.564 0.000 2.588 154 V HA 0.492 4.612 4.120 -0.000 0.000 0.304 154 V C -0.697 174.899 176.094 -0.830 0.000 1.042 154 V CA -0.513 61.393 62.300 -0.658 0.000 0.877 154 V CB 1.696 33.185 31.823 -0.557 0.000 0.996 154 V HN 0.389 nan 8.190 nan 0.000 0.425 155 F N 2.264 121.971 119.950 -0.405 0.000 2.480 155 F HA 0.465 4.992 4.527 -0.001 0.000 0.329 155 F C 0.654 176.313 175.800 -0.235 0.000 1.091 155 F CA -0.966 56.816 58.000 -0.364 0.000 0.972 155 F CB 1.628 40.188 39.000 -0.732 0.000 1.150 155 F HN 0.656 nan 8.300 nan 0.000 0.467 156 D N -0.013 120.423 120.400 0.060 0.000 2.881 156 D HA 0.081 4.721 4.640 -0.000 0.000 0.240 156 D C -0.759 175.587 176.300 0.077 0.000 1.249 156 D CA 0.084 54.107 54.000 0.037 0.000 0.839 156 D CB -0.236 40.601 40.800 0.062 0.000 1.042 156 D HN 0.322 nan 8.370 nan 0.000 0.475 157 D N -1.115 119.341 120.400 0.093 0.000 2.970 157 D HA 0.312 4.952 4.640 -0.000 0.000 0.230 157 D C 1.197 177.551 176.300 0.090 0.000 1.276 157 D CA -0.721 53.336 54.000 0.096 0.000 0.910 157 D CB 1.813 42.691 40.800 0.130 0.000 1.590 157 D HN 0.041 nan 8.370 nan 0.000 0.551 158 G N 1.321 110.148 108.800 0.045 0.000 2.471 158 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.219 158 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.219 158 G C 1.063 175.987 174.900 0.040 0.000 1.125 158 G CA 0.365 45.480 45.100 0.026 0.000 0.775 158 G HN 0.431 nan 8.290 nan 0.000 0.548 159 S N 0.018 115.743 115.700 0.041 0.000 2.603 159 S HA 0.193 4.663 4.470 -0.000 0.000 0.220 159 S C 0.517 175.127 174.600 0.016 0.000 0.967 159 S CA -0.817 57.389 58.200 0.011 0.000 0.920 159 S CB -0.257 62.938 63.200 -0.009 0.000 0.773 159 S HN 0.384 nan 8.310 nan 0.000 0.529 160 F N 3.134 123.031 119.950 -0.089 0.000 2.635 160 F HA 0.216 4.741 4.527 -0.002 0.000 0.379 160 F C 0.339 176.039 175.800 -0.167 0.000 1.094 160 F CA -0.328 57.576 58.000 -0.159 0.000 1.300 160 F CB 0.256 39.129 39.000 -0.211 0.000 1.035 160 F HN 0.069 nan 8.300 nan 0.000 0.581 161 A N 5.652 127.914 122.820 -0.930 0.000 2.363 161 A HA 0.365 4.685 4.320 -0.000 0.000 0.296 161 A C 0.686 177.673 177.584 -0.996 0.000 1.237 161 A CA -0.432 51.201 52.037 -0.673 0.000 0.773 161 A CB 0.950 19.698 19.000 -0.420 0.000 1.153 161 A HN 0.857 nan 8.150 nan 0.000 0.473 162 E N 2.538 122.353 120.200 -0.641 0.000 2.130 162 E HA -0.217 4.133 4.350 -0.000 0.000 0.196 162 E C 1.288 177.739 176.600 -0.248 0.000 0.998 162 E CA 2.121 58.350 56.400 -0.286 0.000 0.806 162 E CB -0.020 29.801 29.700 0.201 0.000 0.738 162 E HN 0.711 nan 8.360 nan 0.000 0.459 163 N N -0.534 117.996 118.700 -0.284 0.000 2.550 163 N HA -0.059 4.681 4.740 -0.000 0.000 0.186 163 N C 0.473 175.783 175.510 -0.334 0.000 1.110 163 N CA 0.836 53.702 53.050 -0.307 0.000 0.912 163 N CB 0.050 38.382 38.487 -0.258 0.000 0.968 163 N HN 0.060 nan 8.380 nan 0.000 0.448 164 S N -0.504 114.948 115.700 -0.413 0.000 2.663 164 S HA 0.161 4.631 4.470 -0.000 0.000 0.243 164 S C 0.181 174.454 174.600 -0.545 0.000 1.009 164 S CA -0.467 57.458 58.200 -0.458 0.000 0.988 164 S CB 0.137 63.069 63.200 -0.447 0.000 0.896 164 S HN 0.059 nan 8.310 nan 0.000 0.502 165 T N 1.798 116.103 114.554 -0.415 0.000 2.860 165 T HA 0.328 4.678 4.350 -0.000 0.000 0.299 165 T C -0.476 173.947 174.700 -0.462 0.000 1.045 165 T CA 0.323 62.256 62.100 -0.279 0.000 1.071 165 T CB 0.066 68.935 68.868 0.001 0.000 0.985 165 T HN 0.201 nan 8.240 nan 0.000 0.537 166 F N 2.155 121.786 119.950 -0.531 0.000 2.421 166 F HA 0.353 4.879 4.527 -0.002 0.000 0.358 166 F C 0.777 176.187 175.800 -0.650 0.000 1.115 166 F CA -0.667 56.785 58.000 -0.913 0.000 1.160 166 F CB 0.731 38.426 39.000 -2.174 0.000 1.123 166 F HN 0.315 nan 8.300 nan 0.000 0.508 167 Q N 2.358 122.090 119.800 -0.114 0.000 2.256 167 Q HA 0.295 4.634 4.340 -0.000 0.000 0.257 167 Q C 0.899 177.072 176.000 0.288 0.000 0.936 167 Q CA -0.533 55.346 55.803 0.126 0.000 0.903 167 Q CB 1.712 30.537 28.738 0.144 0.000 1.263 167 Q HN 0.696 nan 8.270 nan 0.000 0.440 168 L N 2.683 124.138 121.223 0.387 0.000 1.991 168 L HA -0.298 4.042 4.340 -0.000 0.000 0.221 168 L C 1.781 178.859 176.870 0.347 0.000 1.079 168 L CA 3.007 58.116 54.840 0.448 0.000 0.778 168 L CB -1.099 41.147 42.059 0.311 0.000 0.893 168 L HN 0.986 nan 8.230 nan 0.000 0.437 169 T N -4.344 110.341 114.554 0.218 0.000 2.951 169 T HA -0.146 4.204 4.350 -0.000 0.000 0.268 169 T C 1.693 176.504 174.700 0.185 0.000 1.073 169 T CA 1.071 63.256 62.100 0.141 0.000 1.134 169 T CB -0.602 68.295 68.868 0.048 0.000 0.884 169 T HN 0.464 nan 8.240 nan 0.000 0.479 170 D N -0.067 120.475 120.400 0.237 0.000 2.149 170 D HA -0.069 4.570 4.640 -0.000 0.000 0.201 170 D C 1.565 178.129 176.300 0.440 0.000 0.972 170 D CA 0.525 54.697 54.000 0.287 0.000 0.835 170 D CB -0.446 40.462 40.800 0.180 0.000 0.966 170 D HN 0.425 nan 8.370 nan 0.000 0.476 171 W N 1.323 122.758 121.300 0.224 0.000 2.333 171 W HA -0.134 4.528 4.660 0.003 0.000 0.316 171 W C 1.939 178.588 176.519 0.217 0.000 1.215 171 W CA 1.228 58.733 57.345 0.267 0.000 1.278 171 W CB -0.949 28.731 29.460 0.367 0.000 1.154 171 W HN 0.052 nan 8.180 nan 0.000 0.486 172 L N 0.487 121.857 121.223 0.245 0.000 2.093 172 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 172 L C 2.630 179.524 176.870 0.040 0.000 1.085 172 L CA 1.338 56.196 54.840 0.030 0.000 0.755 172 L CB -1.359 40.696 42.059 -0.006 0.000 0.904 172 L HN -0.007 nan 8.230 nan 0.000 0.435 173 A N -0.773 122.081 122.820 0.056 0.000 2.070 173 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 173 A C 1.254 178.651 177.584 -0.311 0.000 1.159 173 A CA 1.328 53.292 52.037 -0.121 0.000 0.656 173 A CB -0.684 18.227 19.000 -0.148 0.000 0.800 173 A HN 0.534 nan 8.150 nan 0.000 0.453 174 H N -1.055 118.089 119.070 0.123 0.000 2.475 174 H HA 0.291 4.847 4.556 0.001 0.000 0.276 174 H C -0.643 174.775 175.328 0.150 0.000 1.126 174 H CA 0.181 56.306 56.048 0.128 0.000 1.023 174 H CB 0.480 30.326 29.762 0.139 0.000 1.669 174 H HN 0.202 nan 8.280 nan 0.000 0.573 175 T N 1.844 116.488 114.554 0.151 0.000 2.829 175 T HA 0.300 4.650 4.350 -0.000 0.000 0.280 175 T C -2.514 172.208 174.700 0.036 0.000 0.999 175 T CA -1.720 60.438 62.100 0.098 0.000 0.983 175 T CB 1.919 70.784 68.868 -0.005 0.000 0.968 175 T HN -0.028 nan 8.240 nan 0.000 0.446 176 P HA 0.164 nan 4.420 nan 0.000 0.265 176 P C 0.882 178.182 177.300 0.000 0.000 1.193 176 P CA -0.390 62.720 63.100 0.016 0.000 0.765 176 P CB 0.643 32.355 31.700 0.021 0.000 0.823 177 K N 3.020 123.417 120.400 -0.005 0.000 2.103 177 K HA -0.195 4.125 4.320 -0.000 0.000 0.207 177 K C 1.651 178.250 176.600 -0.001 0.000 1.048 177 K CA 1.821 58.104 56.287 -0.007 0.000 0.930 177 K CB -0.280 32.214 32.500 -0.011 0.000 0.716 177 K HN 0.676 nan 8.250 nan 0.000 0.444 178 E N 0.410 120.609 120.200 -0.001 0.000 2.153 178 E HA -0.124 4.226 4.350 -0.000 0.000 0.194 178 E C 1.950 178.546 176.600 -0.007 0.000 0.988 178 E CA 1.169 57.568 56.400 -0.002 0.000 0.811 178 E CB -0.376 29.324 29.700 -0.001 0.000 0.746 178 E HN -0.056 nan 8.360 nan 0.000 0.466 179 V N 1.761 121.668 119.914 -0.011 0.000 2.323 179 V HA -0.201 3.919 4.120 -0.000 0.000 0.244 179 V C 2.437 178.503 176.094 -0.046 0.000 1.041 179 V CA 1.450 63.733 62.300 -0.028 0.000 1.025 179 V CB -0.419 31.392 31.823 -0.020 0.000 0.656 179 V HN 0.270 nan 8.190 nan 0.000 0.451 180 I N 0.804 121.360 120.570 -0.023 0.000 2.163 180 I HA -0.276 3.894 4.170 -0.000 0.000 0.243 180 I C 2.728 178.912 176.117 0.110 0.000 1.085 180 I CA 1.670 62.989 61.300 0.032 0.000 1.347 180 I CB -0.731 37.302 38.000 0.054 0.000 1.044 180 I HN 0.297 nan 8.210 nan 0.000 0.408 181 A N 0.925 123.783 122.820 0.065 0.000 1.883 181 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 181 A C 2.572 180.180 177.584 0.040 0.000 1.186 181 A CA 2.080 54.157 52.037 0.067 0.000 0.624 181 A CB -0.916 18.101 19.000 0.029 0.000 0.822 181 A HN 0.454 nan 8.150 nan 0.000 0.444 182 A N -0.019 122.797 122.820 -0.006 0.000 1.933 182 A HA -0.227 4.092 4.320 -0.000 0.000 0.218 182 A C 1.947 179.475 177.584 -0.093 0.000 1.175 182 A CA 2.120 54.134 52.037 -0.037 0.000 0.628 182 A CB -0.814 18.161 19.000 -0.042 0.000 0.814 182 A HN 0.646 nan 8.150 nan 0.000 0.444 183 N N -1.446 117.151 118.700 -0.172 0.000 2.104 183 N HA -0.121 4.619 4.740 -0.000 0.000 0.190 183 N C 0.952 176.153 175.510 -0.516 0.000 1.024 183 N CA 1.793 54.603 53.050 -0.399 0.000 0.853 183 N CB -0.259 37.852 38.487 -0.626 0.000 1.008 183 N HN 0.414 nan 8.380 nan 0.000 0.424 184 F N -1.077 118.833 119.950 -0.066 0.000 2.721 184 F HA 0.386 4.912 4.527 -0.000 0.000 0.301 184 F C 1.617 177.391 175.800 -0.044 0.000 1.096 184 F CA 0.354 58.319 58.000 -0.058 0.000 1.308 184 F CB 0.219 39.180 39.000 -0.065 0.000 1.086 184 F HN 0.047 nan 8.300 nan 0.000 0.587 185 G N 1.605 110.453 108.800 0.080 0.000 2.225 185 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.264 185 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.264 185 G C -0.050 174.884 174.900 0.055 0.000 1.060 185 G CA 0.270 45.399 45.100 0.048 0.000 0.833 185 G HN 0.523 nan 8.290 nan 0.000 0.498 186 V N -3.205 116.751 119.914 0.070 0.000 3.158 186 V HA 0.985 5.105 4.120 -0.000 0.000 0.315 186 V C 0.652 176.761 176.094 0.026 0.000 1.148 186 V CA -0.081 62.244 62.300 0.042 0.000 1.042 186 V CB 1.609 33.453 31.823 0.034 0.000 1.101 186 V HN 1.124 nan 8.190 nan 0.000 0.448 187 T N -1.321 113.239 114.554 0.011 0.000 2.899 187 T HA 0.416 4.766 4.350 -0.000 0.000 0.284 187 T C 0.716 175.417 174.700 0.001 0.000 1.004 187 T CA -0.236 61.867 62.100 0.004 0.000 1.043 187 T CB 1.190 70.056 68.868 -0.002 0.000 1.013 187 T HN 0.766 nan 8.240 nan 0.000 0.518 188 K N 0.427 120.826 120.400 -0.001 0.000 2.152 188 K HA -0.136 4.184 4.320 -0.000 0.000 0.206 188 K C 2.141 178.734 176.600 -0.012 0.000 1.048 188 K CA 1.594 57.878 56.287 -0.005 0.000 0.933 188 K CB -0.116 32.381 32.500 -0.006 0.000 0.721 188 K HN 0.628 nan 8.250 nan 0.000 0.447 189 E N 0.914 121.107 120.200 -0.012 0.000 2.106 189 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 189 E C 1.547 178.134 176.600 -0.021 0.000 0.984 189 E CA 1.122 57.513 56.400 -0.016 0.000 0.806 189 E CB -0.023 29.670 29.700 -0.013 0.000 0.750 189 E HN 0.307 nan 8.360 nan 0.000 0.458 190 E N -0.007 120.180 120.200 -0.022 0.000 2.265 190 E HA -0.129 4.221 4.350 -0.000 0.000 0.196 190 E C 1.403 177.975 176.600 -0.046 0.000 0.996 190 E CA 1.048 57.429 56.400 -0.031 0.000 0.832 190 E CB -0.137 29.546 29.700 -0.028 0.000 0.756 190 E HN 0.494 nan 8.360 nan 0.000 0.491 191 I N -2.534 118.011 120.570 -0.042 0.000 4.009 191 I HA 0.173 4.343 4.170 -0.000 0.000 0.331 191 I C 1.613 177.703 176.117 -0.046 0.000 1.462 191 I CA -0.157 61.109 61.300 -0.056 0.000 1.117 191 I CB 0.581 38.548 38.000 -0.054 0.000 1.091 191 I HN -0.133 nan 8.210 nan 0.000 0.410 192 S N 0.628 116.306 115.700 -0.037 0.000 2.442 192 S HA -0.143 4.326 4.470 -0.000 0.000 0.236 192 S C 1.561 176.139 174.600 -0.037 0.000 1.007 192 S CA 1.452 59.633 58.200 -0.033 0.000 0.965 192 S CB -0.674 62.511 63.200 -0.026 0.000 0.773 192 S HN 0.578 nan 8.310 nan 0.000 0.504 193 N N 0.715 119.390 118.700 -0.042 0.000 2.398 193 N HA 0.257 4.997 4.740 -0.000 0.000 0.188 193 N C -0.055 175.424 175.510 -0.052 0.000 1.122 193 N CA -0.119 52.905 53.050 -0.043 0.000 0.866 193 N CB -0.520 37.943 38.487 -0.041 0.000 0.970 193 N HN 0.466 nan 8.380 nan 0.000 0.462 194 L N 1.523 122.712 121.223 -0.056 0.000 2.514 194 L HA 0.084 4.424 4.340 -0.000 0.000 0.280 194 L C -1.560 175.276 176.870 -0.057 0.000 1.223 194 L CA -1.265 53.538 54.840 -0.061 0.000 0.864 194 L CB -0.087 41.936 42.059 -0.060 0.000 1.118 194 L HN 0.096 nan 8.230 nan 0.000 0.494 195 P HA -0.015 nan 4.420 nan 0.000 0.267 195 P C 0.571 177.842 177.300 -0.049 0.000 1.200 195 P CA 0.072 63.137 63.100 -0.058 0.000 0.772 195 P CB 0.642 32.299 31.700 -0.071 0.000 0.855 196 G N 1.723 110.495 108.800 -0.047 0.000 2.623 196 G HA2 0.002 3.962 3.960 -0.000 0.000 0.214 196 G HA3 0.002 3.962 3.960 -0.000 0.000 0.214 196 G C 0.165 175.036 174.900 -0.049 0.000 1.138 196 G CA 0.184 45.250 45.100 -0.056 0.000 0.794 196 G HN 0.608 nan 8.290 nan 0.000 0.535 197 K N 0.161 120.552 120.400 -0.016 0.000 2.522 197 K HA 0.430 4.750 4.320 -0.000 0.000 0.275 197 K C -0.616 176.006 176.600 0.036 0.000 1.006 197 K CA -1.039 55.265 56.287 0.027 0.000 0.890 197 K CB 1.163 33.681 32.500 0.031 0.000 1.475 197 K HN 0.129 nan 8.250 nan 0.000 0.441 198 E N 1.117 121.360 120.200 0.072 0.000 2.458 198 E HA -0.030 4.320 4.350 -0.000 0.000 0.264 198 E C -0.248 176.388 176.600 0.059 0.000 1.097 198 E CA -0.113 56.337 56.400 0.083 0.000 0.973 198 E CB 0.781 30.543 29.700 0.103 0.000 0.963 198 E HN 0.591 nan 8.360 nan 0.000 0.451 199 K N 0.998 121.432 120.400 0.057 0.000 2.190 199 K HA -0.038 4.282 4.320 -0.000 0.000 0.202 199 K C 0.473 177.244 176.600 0.284 0.000 1.045 199 K CA 0.616 56.931 56.287 0.047 0.000 0.976 199 K CB -0.138 32.189 32.500 -0.288 0.000 0.849 199 K HN 0.690 nan 8.250 nan 0.000 0.468 200 Y N -0.005 120.395 120.300 0.166 0.000 2.762 200 Y HA -0.368 4.182 4.550 -0.000 0.000 0.475 200 Y C -0.578 175.465 175.900 0.238 0.000 1.163 200 Y CA 1.426 59.622 58.100 0.161 0.000 2.761 200 Y CB -0.810 37.705 38.460 0.090 0.000 1.095 200 Y HN -0.007 nan 8.280 nan 0.000 0.592 201 I N 1.505 122.197 120.570 0.204 0.000 2.466 201 I HA 0.479 4.649 4.170 -0.000 0.000 0.289 201 I C -1.222 175.097 176.117 0.336 0.000 1.026 201 I CA -0.652 60.722 61.300 0.124 0.000 1.078 201 I CB 1.706 39.724 38.000 0.029 0.000 1.249 201 I HN 0.226 nan 8.210 nan 0.000 0.429 202 F N 3.202 123.176 119.950 0.040 0.000 2.601 202 F HA 0.597 5.123 4.527 -0.001 0.000 0.309 202 F C -0.474 175.349 175.800 0.038 0.000 1.089 202 F CA -1.180 56.849 58.000 0.048 0.000 0.940 202 F CB 0.810 39.840 39.000 0.049 0.000 1.273 202 F HN 0.232 nan 8.300 nan 0.000 0.450 203 E N 2.327 122.610 120.200 0.138 0.000 2.392 203 E HA 0.210 4.560 4.350 -0.000 0.000 0.264 203 E C -0.871 175.757 176.600 0.047 0.000 1.024 203 E CA -0.006 56.421 56.400 0.046 0.000 0.903 203 E CB 1.039 30.786 29.700 0.077 0.000 0.963 203 E HN 0.731 nan 8.360 nan 0.000 0.432 204 N N 1.269 119.953 118.700 -0.026 0.000 2.591 204 N HA -0.001 4.739 4.740 -0.000 0.000 0.263 204 N C -1.160 174.345 175.510 -0.010 0.000 1.308 204 N CA -0.507 52.540 53.050 -0.005 0.000 0.837 204 N CB 2.302 40.739 38.487 -0.083 0.000 1.548 204 N HN 0.385 nan 8.380 nan 0.000 0.493 205 Q N 1.668 121.473 119.800 0.008 0.000 2.395 205 Q HA 0.138 4.478 4.340 -0.000 0.000 0.271 205 Q C -0.219 175.772 176.000 -0.015 0.000 1.026 205 Q CA -0.004 55.799 55.803 0.001 0.000 0.900 205 Q CB 0.607 29.350 28.738 0.008 0.000 1.266 205 Q HN 0.463 nan 8.270 nan 0.000 0.430 206 L N 5.866 127.080 121.223 -0.015 0.000 2.543 206 L HA 0.041 4.381 4.340 -0.000 0.000 0.285 206 L C -1.665 175.190 176.870 -0.025 0.000 1.236 206 L CA -1.060 53.767 54.840 -0.022 0.000 0.871 206 L CB -0.239 41.811 42.059 -0.016 0.000 1.121 206 L HN 0.697 nan 8.230 nan 0.000 0.501 207 P HA 0.177 nan 4.420 nan 0.000 0.277 207 P C -0.051 177.231 177.300 -0.031 0.000 1.271 207 P CA -0.451 62.629 63.100 -0.034 0.000 0.795 207 P CB 0.596 32.269 31.700 -0.045 0.000 1.101 208 G N -0.223 108.559 108.800 -0.030 0.000 2.494 208 G HA2 0.244 4.204 3.960 -0.000 0.000 0.270 208 G HA3 0.244 4.204 3.960 -0.000 0.000 0.270 208 G C -0.306 174.572 174.900 -0.036 0.000 1.423 208 G CA -0.490 44.592 45.100 -0.029 0.000 1.055 208 G HN 0.503 nan 8.290 nan 0.000 0.536 209 S N -0.571 115.108 115.700 -0.034 0.000 2.568 209 S HA -0.009 4.461 4.470 -0.000 0.000 0.282 209 S C 1.554 176.125 174.600 -0.048 0.000 1.338 209 S CA -0.600 57.576 58.200 -0.040 0.000 1.045 209 S CB 1.155 64.334 63.200 -0.035 0.000 0.873 209 S HN 0.524 nan 8.310 nan 0.000 0.516 210 L N 4.663 125.852 121.223 -0.056 0.000 2.043 210 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 210 L C 2.334 179.163 176.870 -0.069 0.000 1.075 210 L CA 2.006 56.804 54.840 -0.071 0.000 0.752 210 L CB -0.803 41.207 42.059 -0.082 0.000 0.891 210 L HN 0.851 nan 8.230 nan 0.000 0.432 211 K N -1.781 118.584 120.400 -0.058 0.000 2.211 211 K HA -0.193 4.127 4.320 -0.000 0.000 0.204 211 K C 1.338 177.910 176.600 -0.046 0.000 1.047 211 K CA 1.785 58.041 56.287 -0.052 0.000 0.935 211 K CB -0.559 31.915 32.500 -0.042 0.000 0.728 211 K HN 0.332 nan 8.250 nan 0.000 0.452 212 D N 0.935 121.309 120.400 -0.043 0.000 2.323 212 D HA -0.058 4.582 4.640 -0.000 0.000 0.209 212 D C 0.820 177.096 176.300 -0.040 0.000 0.973 212 D CA 0.734 54.712 54.000 -0.037 0.000 0.874 212 D CB 0.102 40.883 40.800 -0.032 0.000 0.930 212 D HN 0.283 nan 8.370 nan 0.000 0.521 213 D N -0.152 120.218 120.400 -0.050 0.000 2.346 213 D HA 0.018 4.658 4.640 -0.000 0.000 0.206 213 D C 0.672 176.936 176.300 -0.059 0.000 1.001 213 D CA -0.115 53.852 54.000 -0.054 0.000 0.871 213 D CB 0.566 41.327 40.800 -0.065 0.000 0.943 213 D HN 0.075 nan 8.370 nan 0.000 0.518 214 I N 2.038 122.569 120.570 -0.064 0.000 2.742 214 I HA -0.066 4.104 4.170 -0.000 0.000 0.287 214 I C 0.365 176.455 176.117 -0.045 0.000 1.186 214 I CA 0.122 61.381 61.300 -0.067 0.000 1.417 214 I CB -0.147 37.813 38.000 -0.066 0.000 1.377 214 I HN -0.292 nan 8.210 nan 0.000 0.556 215 V N 7.280 127.170 119.914 -0.039 0.000 2.394 215 V HA 0.263 4.383 4.120 -0.000 0.000 0.282 215 V C 0.416 176.502 176.094 -0.013 0.000 1.031 215 V CA -0.853 61.433 62.300 -0.024 0.000 0.881 215 V CB 1.536 33.346 31.823 -0.021 0.000 0.982 215 V HN 0.595 nan 8.190 nan 0.000 0.451 216 E N 2.975 123.169 120.200 -0.010 0.000 2.266 216 E HA 0.678 5.028 4.350 -0.000 0.000 0.277 216 E C 0.187 176.788 176.600 0.001 0.000 1.018 216 E CA -0.145 56.253 56.400 -0.003 0.000 0.840 216 E CB 2.322 32.019 29.700 -0.006 0.000 1.082 216 E HN 0.846 nan 8.360 nan 0.000 0.395 217 G N 1.334 110.138 108.800 0.006 0.000 2.694 217 G HA2 0.428 4.388 3.960 -0.000 0.000 0.290 217 G HA3 0.428 4.388 3.960 -0.000 0.000 0.290 217 G C -1.986 172.919 174.900 0.007 0.000 1.386 217 G CA -0.946 44.158 45.100 0.007 0.000 0.872 217 G HN 0.298 nan 8.290 nan 0.000 0.475 218 P HA 0.027 nan 4.420 nan 0.000 0.237 218 P C 0.466 177.771 177.300 0.007 0.000 1.178 218 P CA 0.599 63.702 63.100 0.005 0.000 0.766 218 P CB 0.391 32.093 31.700 0.003 0.000 0.876 219 N N -0.576 118.131 118.700 0.012 0.000 2.236 219 N HA 0.312 5.052 4.740 -0.000 0.000 0.196 219 N C 0.677 176.199 175.510 0.019 0.000 1.114 219 N CA 0.693 53.752 53.050 0.015 0.000 0.859 219 N CB 0.660 39.158 38.487 0.017 0.000 0.982 219 N HN 0.170 nan 8.380 nan 0.000 0.493 220 G N -0.345 108.467 108.800 0.020 0.000 2.603 220 G HA2 0.093 4.053 3.960 -0.000 0.000 0.686 220 G HA3 0.093 4.053 3.960 -0.000 0.000 0.686 220 G C -0.643 174.279 174.900 0.037 0.000 1.286 220 G CA -0.476 44.636 45.100 0.021 0.000 0.871 220 G HN 0.280 nan 8.290 nan 0.000 0.568 221 E N -0.694 119.526 120.200 0.034 0.000 2.343 221 E HA 0.728 5.078 4.350 -0.000 0.000 0.269 221 E C 1.223 177.860 176.600 0.061 0.000 1.047 221 E CA -0.018 56.417 56.400 0.058 0.000 0.874 221 E CB 1.038 30.762 29.700 0.041 0.000 1.033 221 E HN 2.279 nan 8.360 nan 0.000 0.409 222 V N -0.100 119.887 119.914 0.121 0.000 2.763 222 V HA 0.247 4.367 4.120 -0.000 0.000 0.306 222 V C -1.202 174.869 176.094 -0.038 0.000 1.059 222 V CA -0.515 61.845 62.300 0.100 0.000 1.138 222 V CB 0.898 32.857 31.823 0.227 0.000 0.940 222 V HN 0.765 nan 8.190 nan 0.000 0.489 223 P HA 0.029 nan 4.420 nan 0.000 0.221 223 P C -0.251 176.601 177.300 -0.746 0.000 1.150 223 P CA 1.208 64.064 63.100 -0.407 0.000 0.800 223 P CB -0.018 31.453 31.700 -0.382 0.000 0.787 224 Y N -0.257 119.938 120.300 -0.175 0.000 2.492 224 Y HA 0.416 4.967 4.550 0.000 0.000 0.346 224 Y C -2.273 173.326 175.900 -0.500 0.000 0.997 224 Y CA -2.894 55.058 58.100 -0.247 0.000 1.025 224 Y CB 1.707 40.021 38.460 -0.243 0.000 1.263 224 Y HN -0.201 nan 8.280 nan 0.000 0.454 225 P HA 0.130 nan 4.420 nan 0.000 0.274 225 P C -0.311 176.657 177.300 -0.553 0.000 1.231 225 P CA -0.059 62.783 63.100 -0.429 0.000 0.790 225 P CB 0.912 32.662 31.700 0.084 0.000 0.951 226 F N -0.417 119.101 119.950 -0.722 0.000 2.727 226 F HA 0.093 4.619 4.527 -0.001 0.000 0.302 226 F C 1.608 177.617 175.800 0.347 0.000 1.097 226 F CA 0.189 58.151 58.000 -0.063 0.000 1.330 226 F CB -0.144 38.836 39.000 -0.032 0.000 1.084 226 F HN 0.236 nan 8.300 nan 0.000 0.578 227 T N -3.085 111.721 114.554 0.420 0.000 2.942 227 T HA 0.585 4.935 4.350 -0.000 0.000 0.289 227 T C -1.486 173.190 174.700 -0.042 0.000 1.044 227 T CA -0.753 61.536 62.100 0.317 0.000 1.023 227 T CB 2.448 71.535 68.868 0.366 0.000 1.123 227 T HN 0.014 nan 8.240 nan 0.000 0.512 228 Y N 0.459 120.453 120.300 -0.510 0.000 2.442 228 Y HA 0.488 5.038 4.550 0.001 0.000 0.330 228 Y C -0.917 174.756 175.900 -0.378 0.000 1.100 228 Y CA -1.150 56.539 58.100 -0.686 0.000 1.034 228 Y CB 1.723 39.242 38.460 -1.568 0.000 1.285 228 Y HN 0.634 nan 8.280 nan 0.000 0.440 229 R N 6.842 126.962 120.500 -0.634 0.000 2.593 229 R HA 0.149 4.489 4.340 -0.000 0.000 0.282 229 R C 0.678 176.724 176.300 -0.423 0.000 1.300 229 R CA -0.338 55.512 56.100 -0.417 0.000 1.221 229 R CB 0.243 30.349 30.300 -0.324 0.000 1.157 229 R HN 0.877 nan 8.270 nan 0.000 0.555 230 L N 2.642 123.755 121.223 -0.182 0.000 2.017 230 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 230 L C 1.603 178.424 176.870 -0.081 0.000 1.073 230 L CA 1.867 56.718 54.840 0.018 0.000 0.745 230 L CB -0.180 41.973 42.059 0.156 0.000 0.894 230 L HN 0.544 nan 8.230 nan 0.000 0.432 231 L N -0.912 120.185 121.223 -0.210 0.000 2.552 231 L HA -0.067 4.273 4.340 -0.000 0.000 0.227 231 L C 1.945 178.765 176.870 -0.083 0.000 1.146 231 L CA 0.482 55.129 54.840 -0.322 0.000 0.858 231 L CB -0.447 41.432 42.059 -0.301 0.000 0.969 231 L HN 0.378 nan 8.230 nan 0.000 0.451 232 E N -0.606 119.544 120.200 -0.084 0.000 2.481 232 E HA -0.037 4.313 4.350 -0.000 0.000 0.195 232 E C 0.391 176.992 176.600 0.001 0.000 1.047 232 E CA -0.011 56.358 56.400 -0.051 0.000 0.867 232 E CB 0.325 29.956 29.700 -0.114 0.000 0.858 232 E HN 0.418 nan 8.360 nan 0.000 0.513 233 Q N 0.262 120.102 119.800 0.067 0.000 2.317 233 Q HA 0.217 4.557 4.340 -0.000 0.000 0.229 233 Q C 0.133 176.223 176.000 0.150 0.000 0.984 233 Q CA 0.088 55.957 55.803 0.110 0.000 0.911 233 Q CB 0.268 29.108 28.738 0.170 0.000 1.217 233 Q HN 0.195 nan 8.270 nan 0.000 0.501 234 E N 2.476 122.712 120.200 0.059 0.000 2.223 234 E HA 0.358 4.708 4.350 -0.000 0.000 0.282 234 E C -2.226 174.302 176.600 -0.120 0.000 1.046 234 E CA -1.750 54.643 56.400 -0.011 0.000 0.857 234 E CB -0.337 29.352 29.700 -0.019 0.000 1.055 234 E HN 0.288 nan 8.360 nan 0.000 0.409 235 P HA 0.376 nan 4.420 nan 0.000 0.279 235 P C -0.268 176.845 177.300 -0.312 0.000 1.252 235 P CA -0.670 62.076 63.100 -0.590 0.000 0.811 235 P CB 0.801 31.794 31.700 -1.179 0.000 1.035 236 I N 1.226 121.637 120.570 -0.266 0.000 2.587 236 I HA 0.011 4.181 4.170 -0.000 0.000 0.284 236 I C 1.123 177.146 176.117 -0.157 0.000 1.134 236 I CA 0.711 61.911 61.300 -0.167 0.000 1.410 236 I CB -0.218 37.698 38.000 -0.141 0.000 1.392 236 I HN 0.213 nan 8.210 nan 0.000 0.545 237 E N 5.459 125.599 120.200 -0.100 0.000 2.166 237 E HA 0.468 4.817 4.350 -0.000 0.000 0.275 237 E C -0.703 175.887 176.600 -0.016 0.000 0.941 237 E CA -0.415 55.943 56.400 -0.070 0.000 0.784 237 E CB 1.618 31.279 29.700 -0.065 0.000 1.115 237 E HN 0.726 nan 8.360 nan 0.000 0.399 238 S N 1.643 117.338 115.700 -0.009 0.000 2.851 238 S HA 0.302 4.772 4.470 -0.000 0.000 0.313 238 S C 0.822 175.410 174.600 -0.020 0.000 1.163 238 S CA -0.899 57.306 58.200 0.009 0.000 0.850 238 S CB 1.314 64.559 63.200 0.074 0.000 1.245 238 S HN 0.529 nan 8.310 nan 0.000 0.558 239 E N 0.406 120.578 120.200 -0.046 0.000 2.072 239 E HA -0.033 4.316 4.350 -0.000 0.000 0.191 239 E C 1.561 178.157 176.600 -0.007 0.000 0.985 239 E CA 1.182 57.557 56.400 -0.042 0.000 0.801 239 E CB -0.480 29.179 29.700 -0.069 0.000 0.750 239 E HN 0.824 nan 8.360 nan 0.000 0.452 240 G N -0.342 108.465 108.800 0.012 0.000 3.233 240 G HA2 0.370 4.329 3.960 -0.000 0.000 0.234 240 G HA3 0.370 4.329 3.960 -0.000 0.000 0.234 240 G C 0.288 175.216 174.900 0.046 0.000 1.137 240 G CA 0.418 45.539 45.100 0.036 0.000 0.763 240 G HN 0.416 nan 8.290 nan 0.000 0.549 241 G N -0.443 108.374 108.800 0.029 0.000 2.360 241 G HA2 0.443 4.403 3.960 -0.000 0.000 0.276 241 G HA3 0.443 4.403 3.960 -0.000 0.000 0.276 241 G C -1.835 173.060 174.900 -0.009 0.000 1.256 241 G CA -0.926 44.190 45.100 0.027 0.000 0.890 241 G HN 0.222 nan 8.290 nan 0.000 0.486 242 K N -0.960 119.425 120.400 -0.026 0.000 2.502 242 K HA 0.681 5.001 4.320 -0.000 0.000 0.257 242 K C -1.496 175.027 176.600 -0.128 0.000 0.938 242 K CA -0.769 55.452 56.287 -0.110 0.000 0.819 242 K CB 3.162 35.593 32.500 -0.115 0.000 1.333 242 K HN 0.393 nan 8.250 nan 0.000 0.434 243 V N 2.839 122.615 119.914 -0.230 0.000 2.483 243 V HA 0.370 4.490 4.120 -0.000 0.000 0.297 243 V C -1.554 174.383 176.094 -0.262 0.000 1.027 243 V CA -0.891 61.299 62.300 -0.184 0.000 0.855 243 V CB 0.978 32.693 31.823 -0.179 0.000 0.995 243 V HN 0.605 nan 8.190 nan 0.000 0.424 244 Y N 4.826 125.068 120.300 -0.097 0.000 2.331 244 Y HA 0.646 5.196 4.550 -0.000 0.000 0.338 244 Y C 0.171 176.029 175.900 -0.070 0.000 0.976 244 Y CA -0.731 57.340 58.100 -0.048 0.000 1.137 244 Y CB 1.395 39.864 38.460 0.015 0.000 1.172 244 Y HN 0.456 nan 8.280 nan 0.000 0.478 245 I N 3.330 123.918 120.570 0.030 0.000 2.377 245 I HA 0.677 4.847 4.170 -0.000 0.000 0.293 245 I C -0.281 175.868 176.117 0.053 0.000 0.987 245 I CA -0.829 60.434 61.300 -0.061 0.000 1.185 245 I CB 1.503 39.346 38.000 -0.262 0.000 1.341 245 I HN 0.692 nan 8.210 nan 0.000 0.455 246 A N 5.369 128.234 122.820 0.076 0.000 2.340 246 A HA 0.702 5.021 4.320 -0.000 0.000 0.297 246 A C -1.137 176.480 177.584 0.055 0.000 1.195 246 A CA -0.512 51.541 52.037 0.027 0.000 0.769 246 A CB 0.594 19.636 19.000 0.070 0.000 1.163 246 A HN 0.751 nan 8.150 nan 0.000 0.472 247 D N 0.532 120.924 120.400 -0.013 0.000 2.781 247 D HA 0.363 5.003 4.640 -0.000 0.000 0.295 247 D C 1.032 177.267 176.300 -0.108 0.000 1.143 247 D CA 0.256 54.236 54.000 -0.033 0.000 1.076 247 D CB 0.142 40.954 40.800 0.020 0.000 1.444 247 D HN 0.355 nan 8.370 nan 0.000 0.567 248 S N -1.650 113.963 115.700 -0.144 0.000 2.507 248 S HA -0.147 4.323 4.470 -0.000 0.000 0.235 248 S C 1.625 176.138 174.600 -0.145 0.000 0.988 248 S CA 1.569 59.647 58.200 -0.203 0.000 0.944 248 S CB -1.315 61.760 63.200 -0.208 0.000 0.762 248 S HN 0.697 nan 8.310 nan 0.000 0.526 249 T N 0.182 114.687 114.554 -0.081 0.000 2.985 249 T HA -0.003 4.347 4.350 -0.000 0.000 0.266 249 T C 1.545 176.224 174.700 -0.035 0.000 1.076 249 T CA 1.062 63.128 62.100 -0.056 0.000 1.135 249 T CB -0.452 68.400 68.868 -0.026 0.000 0.890 249 T HN 0.652 nan 8.240 nan 0.000 0.480 250 N N 0.043 118.722 118.700 -0.034 0.000 2.612 250 N HA 0.132 4.872 4.740 -0.000 0.000 0.224 250 N C 0.128 175.647 175.510 0.014 0.000 1.051 250 N CA -0.321 52.742 53.050 0.021 0.000 0.889 250 N CB -0.561 37.974 38.487 0.081 0.000 1.449 250 N HN 0.336 nan 8.380 nan 0.000 0.442 251 F N 3.536 123.222 119.950 -0.440 0.000 2.499 251 F HA 0.433 4.961 4.527 0.001 0.000 0.353 251 F C 0.896 176.513 175.800 -0.305 0.000 1.196 251 F CA -1.441 56.262 58.000 -0.494 0.000 1.244 251 F CB 0.063 38.591 39.000 -0.786 0.000 1.577 251 F HN -0.157 nan 8.300 nan 0.000 0.614 252 K N 2.656 123.012 120.400 -0.073 0.000 2.074 252 K HA -0.152 4.168 4.320 -0.000 0.000 0.209 252 K C 2.190 178.485 176.600 -0.509 0.000 1.048 252 K CA 1.869 57.938 56.287 -0.363 0.000 0.926 252 K CB -1.137 30.992 32.500 -0.618 0.000 0.713 252 K HN 0.541 nan 8.250 nan 0.000 0.444 253 V N -1.099 118.499 119.914 -0.527 0.000 2.913 253 V HA -0.018 4.101 4.120 -0.000 0.000 0.260 253 V C 1.470 177.110 176.094 -0.758 0.000 1.098 253 V CA 1.322 63.331 62.300 -0.484 0.000 1.121 253 V CB -0.495 31.138 31.823 -0.317 0.000 0.714 253 V HN 0.090 nan 8.190 nan 0.000 0.487 254 S N 0.922 115.936 115.700 -1.144 0.000 4.069 254 S HA 0.178 4.648 4.470 -0.000 0.000 0.192 254 S C 1.362 175.377 174.600 -0.976 0.000 1.441 254 S CA -0.507 56.720 58.200 -1.622 0.000 0.994 254 S CB -0.551 61.929 63.200 -1.201 0.000 1.456 254 S HN 0.524 nan 8.310 nan 0.000 0.458 255 K N 0.933 120.895 120.400 -0.729 0.000 2.155 255 K HA -0.021 4.299 4.320 -0.000 0.000 0.203 255 K C 2.037 178.542 176.600 -0.158 0.000 1.052 255 K CA 1.466 57.577 56.287 -0.293 0.000 0.948 255 K CB -0.762 31.667 32.500 -0.120 0.000 0.728 255 K HN 0.707 nan 8.250 nan 0.000 0.448 256 T N -2.066 112.446 114.554 -0.071 0.000 3.054 256 T HA 0.258 4.608 4.350 -0.000 0.000 0.255 256 T C 0.470 175.184 174.700 0.024 0.000 1.035 256 T CA -0.296 61.834 62.100 0.051 0.000 0.941 256 T CB 0.236 69.203 68.868 0.166 0.000 1.026 256 T HN -0.189 nan 8.240 nan 0.000 0.533 257 I N 1.948 122.487 120.570 -0.052 0.000 2.478 257 I HA 0.687 4.857 4.170 -0.000 0.000 0.287 257 I C -0.383 175.637 176.117 -0.161 0.000 1.042 257 I CA -1.347 59.891 61.300 -0.103 0.000 1.067 257 I CB 1.224 39.190 38.000 -0.057 0.000 1.233 257 I HN 0.241 nan 8.210 nan 0.000 0.431 258 A N 5.114 127.868 122.820 -0.110 0.000 2.340 258 A HA 0.916 5.236 4.320 -0.000 0.000 0.331 258 A C -0.203 177.396 177.584 0.024 0.000 1.140 258 A CA -0.386 51.647 52.037 -0.006 0.000 0.801 258 A CB 1.351 20.374 19.000 0.038 0.000 1.234 258 A HN 0.784 nan 8.150 nan 0.000 0.469 259 S N -0.130 115.615 115.700 0.076 0.000 2.556 259 S HA 0.875 5.345 4.470 -0.000 0.000 0.271 259 S C -0.731 173.945 174.600 0.127 0.000 1.135 259 S CA -0.112 58.089 58.200 0.001 0.000 0.858 259 S CB 1.677 64.760 63.200 -0.196 0.000 1.114 259 S HN 2.248 nan 8.310 nan 0.000 0.468 260 A N 1.292 124.171 122.820 0.099 0.000 2.427 260 A HA 0.744 5.064 4.320 -0.000 0.000 0.298 260 A C -1.314 176.247 177.584 -0.039 0.000 1.036 260 A CA -0.680 51.363 52.037 0.009 0.000 0.701 260 A CB 1.401 20.341 19.000 -0.101 0.000 1.250 260 A HN 1.244 nan 8.150 nan 0.000 0.412 261 L N 3.269 124.482 121.223 -0.018 0.000 2.265 261 L HA 0.677 5.017 4.340 -0.000 0.000 0.288 261 L C -0.917 175.878 176.870 -0.126 0.000 1.058 261 L CA -0.048 54.725 54.840 -0.112 0.000 0.809 261 L CB 1.292 43.301 42.059 -0.083 0.000 1.179 261 L HN 0.436 nan 8.230 nan 0.000 0.429 262 V N 3.999 123.672 119.914 -0.402 0.000 2.417 262 V HA 0.545 4.665 4.120 -0.000 0.000 0.291 262 V C 0.058 175.957 176.094 -0.325 0.000 1.024 262 V CA -0.504 61.518 62.300 -0.462 0.000 0.861 262 V CB 1.675 32.928 31.823 -0.951 0.000 0.985 262 V HN 0.829 nan 8.190 nan 0.000 0.436 263 T N 4.228 118.728 114.554 -0.091 0.000 2.797 263 T HA 0.646 4.996 4.350 -0.000 0.000 0.279 263 T C -0.487 174.248 174.700 0.060 0.000 0.991 263 T CA -0.423 61.687 62.100 0.017 0.000 0.979 263 T CB 1.639 70.555 68.868 0.080 0.000 0.943 263 T HN 0.380 nan 8.240 nan 0.000 0.444 264 V N 3.500 123.489 119.914 0.125 0.000 2.483 264 V HA 0.356 4.476 4.120 -0.000 0.000 0.297 264 V C 0.077 176.251 176.094 0.133 0.000 1.027 264 V CA -1.050 61.342 62.300 0.153 0.000 0.855 264 V CB 1.739 33.712 31.823 0.251 0.000 0.995 264 V HN 0.761 nan 8.190 nan 0.000 0.424 265 E N 4.661 124.922 120.200 0.102 0.000 2.392 265 E HA 0.266 4.616 4.350 -0.000 0.000 0.259 265 E C -2.417 174.237 176.600 0.090 0.000 1.108 265 E CA -1.984 54.467 56.400 0.085 0.000 0.916 265 E CB 0.555 30.294 29.700 0.063 0.000 0.989 265 E HN 0.382 nan 8.360 nan 0.000 0.432 266 P HA 0.016 nan 4.420 nan 0.000 0.266 266 P C 0.511 177.850 177.300 0.066 0.000 1.195 266 P CA 0.958 64.102 63.100 0.073 0.000 0.768 266 P CB 0.367 32.103 31.700 0.060 0.000 0.838 267 G N 0.796 109.637 108.800 0.068 0.000 2.148 267 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.254 267 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.254 267 G C 0.314 175.253 174.900 0.066 0.000 0.981 267 G CA 0.147 45.282 45.100 0.059 0.000 0.670 267 G HN 0.868 nan 8.290 nan 0.000 0.528 268 A N -0.504 122.368 122.820 0.087 0.000 2.344 268 A HA 1.072 5.392 4.320 -0.000 0.000 0.307 268 A C -0.069 177.598 177.584 0.138 0.000 1.151 268 A CA -0.097 51.999 52.037 0.097 0.000 0.842 268 A CB 1.235 20.290 19.000 0.092 0.000 1.350 268 A HN 1.699 nan 8.150 nan 0.000 0.459 269 M N -0.597 119.095 119.600 0.154 0.000 2.465 269 M HA 0.689 5.169 4.480 -0.000 0.000 0.284 269 M C -0.675 175.764 176.300 0.231 0.000 1.212 269 M CA -0.771 54.659 55.300 0.218 0.000 0.910 269 M CB 1.840 34.572 32.600 0.221 0.000 1.725 269 M HN 0.541 nan 8.290 nan 0.000 0.477 270 R N 2.820 123.507 120.500 0.311 0.000 2.421 270 R HA 0.159 4.499 4.340 -0.000 0.000 0.305 270 R C -0.159 176.328 176.300 0.312 0.000 1.039 270 R CA 0.277 56.560 56.100 0.305 0.000 1.003 270 R CB 0.374 30.952 30.300 0.463 0.000 0.959 270 R HN 0.831 nan 8.270 nan 0.000 0.427 271 E N 3.888 124.217 120.200 0.216 0.000 2.428 271 E HA -0.034 4.316 4.350 -0.000 0.000 0.257 271 E C -0.579 176.234 176.600 0.355 0.000 1.197 271 E CA -0.549 55.988 56.400 0.228 0.000 0.974 271 E CB 0.450 30.239 29.700 0.147 0.000 0.976 271 E HN 0.499 nan 8.360 nan 0.000 0.463 272 L N 3.040 124.436 121.223 0.288 0.000 2.534 272 L HA 0.094 4.434 4.340 -0.000 0.000 0.271 272 L C 0.352 177.391 176.870 0.282 0.000 1.178 272 L CA 0.395 55.407 54.840 0.287 0.000 0.907 272 L CB -0.512 41.683 42.059 0.227 0.000 1.164 272 L HN 0.620 nan 8.230 nan 0.000 0.482 273 H N 2.076 121.156 119.070 0.016 0.000 2.948 273 H HA 0.459 5.015 4.556 0.000 0.000 0.315 273 H C -1.566 173.730 175.328 -0.054 0.000 1.360 273 H CA -1.179 54.808 56.048 -0.102 0.000 1.125 273 H CB 1.032 30.642 29.762 -0.252 0.000 1.844 273 H HN 0.584 nan 8.280 nan 0.000 0.529 274 W N 0.127 121.247 121.300 -0.300 0.000 3.038 274 W HA 0.628 5.288 4.660 -0.000 0.000 0.347 274 W C -1.705 174.603 176.519 -0.352 0.000 1.219 274 W CA -1.019 56.153 57.345 -0.289 0.000 1.142 274 W CB 0.971 30.405 29.460 -0.045 0.000 1.484 274 W HN 0.516 nan 8.180 nan 0.000 0.586 275 H N 1.591 120.864 119.070 0.338 0.000 2.511 275 H HA 0.238 4.794 4.556 -0.000 0.000 0.328 275 H C -1.841 173.653 175.328 0.276 0.000 1.044 275 H CA -1.867 54.228 56.048 0.079 0.000 1.212 275 H CB 2.050 31.809 29.762 -0.005 0.000 1.428 275 H HN 0.220 nan 8.280 nan 0.000 0.483 276 P HA -0.058 nan 4.420 nan 0.000 0.249 276 P C 0.672 178.182 177.300 0.351 0.000 1.229 276 P CA 0.491 63.808 63.100 0.362 0.000 0.788 276 P CB 0.511 32.303 31.700 0.154 0.000 1.072 277 N N -1.269 117.457 118.700 0.043 0.000 2.545 277 N HA 0.063 4.803 4.740 -0.000 0.000 0.190 277 N C 0.490 175.502 175.510 -0.830 0.000 1.043 277 N CA 0.588 53.461 53.050 -0.296 0.000 0.879 277 N CB -0.000 38.257 38.487 -0.382 0.000 1.210 277 N HN -0.009 nan 8.380 nan 0.000 0.437 278 T N -0.976 113.194 114.554 -0.639 0.000 2.677 278 T HA 0.178 4.528 4.350 -0.000 0.000 0.305 278 T C -1.863 172.699 174.700 -0.230 0.000 1.569 278 T CA -0.681 60.974 62.100 -0.742 0.000 0.984 278 T CB 0.271 68.876 68.868 -0.438 0.000 1.629 278 T HN 0.176 nan 8.240 nan 0.000 0.494 279 H N 1.414 120.480 119.070 -0.007 0.000 2.771 279 H HA 0.340 4.896 4.556 -0.000 0.000 0.364 279 H C 0.216 175.419 175.328 -0.210 0.000 1.133 279 H CA 0.006 56.015 56.048 -0.065 0.000 1.423 279 H CB 0.626 30.316 29.762 -0.120 0.000 1.425 279 H HN 0.583 nan 8.280 nan 0.000 0.606 280 E N 1.937 121.932 120.200 -0.342 0.000 2.166 280 E HA 0.167 4.517 4.350 -0.000 0.000 0.275 280 E C -1.277 174.890 176.600 -0.721 0.000 0.941 280 E CA -0.792 55.181 56.400 -0.712 0.000 0.784 280 E CB 1.204 30.596 29.700 -0.514 0.000 1.115 280 E HN 0.522 nan 8.360 nan 0.000 0.399 281 W N 4.094 124.965 121.300 -0.715 0.000 2.520 281 W HA 0.301 4.960 4.660 -0.003 0.000 0.323 281 W C -0.966 175.361 176.519 -0.321 0.000 1.062 281 W CA -0.358 56.778 57.345 -0.349 0.000 1.215 281 W CB 1.307 30.687 29.460 -0.134 0.000 1.340 281 W HN 0.483 nan 8.180 nan 0.000 0.516 282 Q N 4.409 123.785 119.800 -0.707 0.000 2.377 282 Q HA 0.332 4.672 4.340 -0.000 0.000 0.271 282 Q C -1.866 173.644 176.000 -0.816 0.000 1.077 282 Q CA -1.164 54.271 55.803 -0.614 0.000 0.820 282 Q CB 3.134 31.477 28.738 -0.659 0.000 1.347 282 Q HN 0.516 nan 8.270 nan 0.000 0.444 283 Y N 1.024 121.015 120.300 -0.516 0.000 2.361 283 Y HA 0.377 4.927 4.550 -0.001 0.000 0.337 283 Y C -1.817 173.942 175.900 -0.235 0.000 0.965 283 Y CA -1.074 56.873 58.100 -0.255 0.000 1.091 283 Y CB 1.059 39.609 38.460 0.150 0.000 1.182 283 Y HN 0.550 nan 8.280 nan 0.000 0.450 284 Y N 7.421 127.258 120.300 -0.773 0.000 2.477 284 Y HA 0.272 4.821 4.550 -0.001 0.000 0.349 284 Y C 0.979 176.446 175.900 -0.721 0.000 0.977 284 Y CA -0.167 57.632 58.100 -0.501 0.000 1.214 284 Y CB 0.529 38.823 38.460 -0.277 0.000 1.124 284 Y HN 0.663 nan 8.280 nan 0.000 0.521 285 I N 1.065 121.505 120.570 -0.216 0.000 2.235 285 I HA -0.115 4.055 4.170 -0.000 0.000 0.241 285 I C 0.512 176.688 176.117 0.097 0.000 1.085 285 I CA 0.874 62.196 61.300 0.037 0.000 1.378 285 I CB -0.015 38.097 38.000 0.187 0.000 1.076 285 I HN 0.529 nan 8.210 nan 0.000 0.415 286 S N -0.742 115.032 115.700 0.122 0.000 2.570 286 S HA 0.768 5.238 4.470 -0.000 0.000 0.270 286 S C -0.301 174.390 174.600 0.151 0.000 1.149 286 S CA -0.243 58.035 58.200 0.129 0.000 0.837 286 S CB 1.908 65.183 63.200 0.124 0.000 1.124 286 S HN 0.660 nan 8.310 nan 0.000 0.465 287 G N 0.947 109.820 108.800 0.121 0.000 2.610 287 G HA2 0.109 4.069 3.960 -0.000 0.000 0.304 287 G HA3 0.109 4.069 3.960 -0.000 0.000 0.304 287 G C -1.687 173.268 174.900 0.092 0.000 1.309 287 G CA -0.781 44.389 45.100 0.117 0.000 0.906 287 G HN 0.852 nan 8.290 nan 0.000 0.521 288 K N -0.320 120.128 120.400 0.079 0.000 2.468 288 K HA 0.749 5.069 4.320 -0.000 0.000 0.252 288 K C -0.083 176.540 176.600 0.039 0.000 0.932 288 K CA -0.098 56.205 56.287 0.027 0.000 0.794 288 K CB 2.225 34.736 32.500 0.018 0.000 1.241 288 K HN 1.347 nan 8.250 nan 0.000 0.428 289 A N 2.290 125.097 122.820 -0.022 0.000 2.479 289 A HA 0.792 5.111 4.320 -0.000 0.000 0.296 289 A C -1.244 176.350 177.584 0.017 0.000 1.121 289 A CA -0.935 51.112 52.037 0.017 0.000 0.743 289 A CB 1.451 20.443 19.000 -0.013 0.000 1.323 289 A HN 0.874 nan 8.150 nan 0.000 0.415 290 R N 0.175 120.723 120.500 0.080 0.000 2.807 290 R HA 0.860 5.200 4.340 -0.000 0.000 0.276 290 R C -1.065 175.261 176.300 0.044 0.000 0.979 290 R CA -0.699 55.450 56.100 0.083 0.000 0.928 290 R CB 1.730 32.084 30.300 0.091 0.000 1.191 290 R HN 0.865 nan 8.270 nan 0.000 0.471 291 M N 1.799 121.404 119.600 0.008 0.000 2.324 291 M HA 0.339 4.819 4.480 -0.000 0.000 0.288 291 M C -1.634 174.578 176.300 -0.147 0.000 1.097 291 M CA -0.284 54.853 55.300 -0.271 0.000 0.928 291 M CB 2.949 35.543 32.600 -0.011 0.000 1.648 291 M HN 0.765 nan 8.290 nan 0.000 0.460 292 T N 3.871 118.188 114.554 -0.395 0.000 2.771 292 T HA 0.454 4.804 4.350 -0.000 0.000 0.291 292 T C -0.490 174.314 174.700 0.173 0.000 0.954 292 T CA -0.460 61.685 62.100 0.075 0.000 1.045 292 T CB 0.985 70.062 68.868 0.349 0.000 0.917 292 T HN 0.497 nan 8.240 nan 0.000 0.484 293 V N 4.995 125.073 119.914 0.273 0.000 2.364 293 V HA 0.347 4.467 4.120 -0.000 0.000 0.272 293 V C -0.333 175.949 176.094 0.314 0.000 1.036 293 V CA -0.817 61.653 62.300 0.282 0.000 0.880 293 V CB 0.276 32.261 31.823 0.270 0.000 0.991 293 V HN 0.806 nan 8.190 nan 0.000 0.460 294 F N 5.440 125.496 119.950 0.177 0.000 2.391 294 F HA 0.653 5.182 4.527 0.003 0.000 0.359 294 F C 0.702 176.567 175.800 0.109 0.000 1.122 294 F CA -0.751 57.337 58.000 0.146 0.000 1.120 294 F CB 1.330 40.411 39.000 0.135 0.000 1.142 294 F HN 0.483 nan 8.300 nan 0.000 0.483 295 A N 4.609 127.125 122.820 -0.507 0.000 2.387 295 A HA 0.485 4.805 4.320 -0.000 0.000 0.234 295 A C 0.713 177.946 177.584 -0.586 0.000 1.253 295 A CA 0.531 52.334 52.037 -0.389 0.000 0.894 295 A CB -1.102 17.836 19.000 -0.104 0.000 0.963 295 A HN 1.714 nan 8.150 nan 0.000 0.508 296 S N -1.217 113.770 115.700 -1.189 0.000 3.960 296 S HA -0.126 4.344 4.470 -0.000 0.000 0.671 296 S C -0.119 174.354 174.600 -0.211 0.000 1.405 296 S CA 0.941 58.696 58.200 -0.742 0.000 1.519 296 S CB -1.543 61.425 63.200 -0.387 0.000 0.362 296 S HN 1.759 nan 8.310 nan 0.000 1.244 297 D N 0.188 120.589 120.400 0.001 0.000 2.701 297 D HA -0.030 4.610 4.640 -0.000 0.000 0.235 297 D C 1.355 177.839 176.300 0.307 0.000 1.155 297 D CA 3.324 57.399 54.000 0.125 0.000 0.649 297 D CB -1.579 39.249 40.800 0.047 0.000 1.050 297 D HN 2.441 nan 8.370 nan 0.000 0.425 298 G N -0.353 108.632 108.800 0.309 0.000 2.168 298 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.257 298 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.257 298 G C 0.065 175.145 174.900 0.299 0.000 0.997 298 G CA 0.566 45.823 45.100 0.261 0.000 0.708 298 G HN 0.714 nan 8.290 nan 0.000 0.520 299 H N 0.356 119.541 119.070 0.191 0.000 2.489 299 H HA 0.734 5.292 4.556 0.002 0.000 0.322 299 H C 0.456 175.891 175.328 0.178 0.000 1.091 299 H CA 0.521 56.671 56.048 0.170 0.000 1.291 299 H CB 1.737 31.524 29.762 0.042 0.000 1.436 299 H HN 0.821 nan 8.280 nan 0.000 0.480 300 A N 3.288 126.273 122.820 0.275 0.000 2.566 300 A HA 0.683 5.003 4.320 -0.000 0.000 0.297 300 A C -1.038 176.636 177.584 0.149 0.000 1.059 300 A CA -0.755 51.447 52.037 0.274 0.000 0.691 300 A CB 1.549 20.759 19.000 0.350 0.000 1.282 300 A HN 0.695 nan 8.150 nan 0.000 0.401 301 R N 0.946 121.522 120.500 0.125 0.000 2.604 301 R HA 0.645 4.985 4.340 -0.000 0.000 0.281 301 R C -1.299 174.910 176.300 -0.151 0.000 1.020 301 R CA -0.183 55.874 56.100 -0.071 0.000 0.899 301 R CB 1.986 32.207 30.300 -0.132 0.000 1.205 301 R HN 0.707 nan 8.270 nan 0.000 0.450 302 T N 4.132 118.507 114.554 -0.299 0.000 2.837 302 T HA 0.505 4.855 4.350 -0.000 0.000 0.285 302 T C -0.925 173.437 174.700 -0.564 0.000 0.984 302 T CA -0.008 61.958 62.100 -0.223 0.000 1.049 302 T CB 0.437 69.262 68.868 -0.072 0.000 0.947 302 T HN 0.268 nan 8.240 nan 0.000 0.472 303 F N 1.500 121.395 119.950 -0.093 0.000 2.563 303 F HA 0.468 4.995 4.527 0.000 0.000 0.316 303 F C 0.511 176.059 175.800 -0.420 0.000 1.076 303 F CA -1.123 56.706 58.000 -0.285 0.000 0.921 303 F CB 1.713 40.507 39.000 -0.343 0.000 1.209 303 F HN 0.436 nan 8.300 nan 0.000 0.462 304 N N 0.814 119.283 118.700 -0.384 0.000 2.456 304 N HA 0.568 5.308 4.740 -0.000 0.000 0.296 304 N C -1.806 173.230 175.510 -0.789 0.000 1.102 304 N CA -0.577 52.227 53.050 -0.411 0.000 0.924 304 N CB 1.195 39.540 38.487 -0.236 0.000 1.186 304 N HN 0.403 nan 8.380 nan 0.000 0.492 305 Y N -0.206 119.875 120.300 -0.365 0.000 2.524 305 Y HA 0.374 4.924 4.550 -0.001 0.000 0.347 305 Y C -0.107 175.495 175.900 -0.496 0.000 1.005 305 Y CA -0.877 56.856 58.100 -0.611 0.000 1.025 305 Y CB 1.796 39.357 38.460 -1.497 0.000 1.275 305 Y HN 0.474 nan 8.280 nan 0.000 0.460 306 Q N 0.910 120.601 119.800 -0.181 0.000 2.831 306 Q HA 0.892 5.232 4.340 -0.000 0.000 0.322 306 Q C -1.262 174.742 176.000 0.007 0.000 0.923 306 Q CA -1.583 54.176 55.803 -0.073 0.000 0.767 306 Q CB 1.802 30.517 28.738 -0.039 0.000 1.469 306 Q HN 0.769 nan 8.270 nan 0.000 0.496 307 A N -0.124 122.724 122.820 0.047 0.000 2.567 307 A HA 0.415 4.735 4.320 -0.000 0.000 0.240 307 A C 1.187 178.829 177.584 0.096 0.000 1.053 307 A CA 1.177 53.249 52.037 0.059 0.000 0.755 307 A CB -1.226 17.826 19.000 0.086 0.000 0.978 307 A HN 1.679 nan 8.150 nan 0.000 0.507 308 G N 2.059 110.928 108.800 0.115 0.000 2.176 308 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.232 308 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.232 308 G C -0.174 175.016 174.900 0.482 0.000 0.986 308 G CA 0.234 45.570 45.100 0.394 0.000 0.643 308 G HN 0.809 nan 8.290 nan 0.000 0.522 309 D N 0.376 120.918 120.400 0.237 0.000 2.210 309 D HA 0.543 5.183 4.640 -0.000 0.000 0.249 309 D C 0.407 176.889 176.300 0.303 0.000 1.062 309 D CA -0.180 53.976 54.000 0.261 0.000 0.891 309 D CB 2.084 43.008 40.800 0.206 0.000 1.186 309 D HN 0.110 nan 8.370 nan 0.000 0.432 310 V N 1.320 121.361 119.914 0.212 0.000 2.481 310 V HA 0.673 4.793 4.120 -0.000 0.000 0.286 310 V C 0.893 176.945 176.094 -0.070 0.000 1.042 310 V CA -0.397 61.862 62.300 -0.067 0.000 0.928 310 V CB 1.595 33.340 31.823 -0.130 0.000 0.986 310 V HN 0.624 nan 8.190 nan 0.000 0.462 311 G N 2.581 111.174 108.800 -0.344 0.000 2.600 311 G HA2 0.684 4.644 3.960 -0.000 0.000 0.303 311 G HA3 0.684 4.644 3.960 -0.000 0.000 0.303 311 G C -2.163 172.545 174.900 -0.319 0.000 1.253 311 G CA -0.516 44.409 45.100 -0.293 0.000 0.974 311 G HN 0.501 nan 8.290 nan 0.000 0.483 312 Y N -0.734 119.357 120.300 -0.348 0.000 2.519 312 Y HA 0.505 5.056 4.550 0.002 0.000 0.336 312 Y C -1.090 174.678 175.900 -0.220 0.000 1.089 312 Y CA -0.720 57.219 58.100 -0.269 0.000 1.025 312 Y CB 2.448 40.793 38.460 -0.192 0.000 1.318 312 Y HN 0.464 nan 8.280 nan 0.000 0.452 313 V N 6.752 126.390 119.914 -0.459 0.000 2.419 313 V HA 0.388 4.508 4.120 -0.000 0.000 0.287 313 V C -2.486 173.498 176.094 -0.184 0.000 1.017 313 V CA -1.996 60.130 62.300 -0.291 0.000 0.844 313 V CB 1.358 32.875 31.823 -0.510 0.000 1.011 313 V HN 0.596 nan 8.190 nan 0.000 0.429 314 P HA 0.035 nan 4.420 nan 0.000 0.269 314 P C -0.071 177.424 177.300 0.325 0.000 1.217 314 P CA -0.280 63.045 63.100 0.376 0.000 0.783 314 P CB 0.315 32.214 31.700 0.331 0.000 0.898 315 F N 3.055 123.091 119.950 0.144 0.000 2.460 315 F HA 0.017 4.541 4.527 -0.004 0.000 0.413 315 F C 1.258 177.066 175.800 0.013 0.000 0.967 315 F CA 0.646 58.585 58.000 -0.102 0.000 1.122 315 F CB -1.363 37.383 39.000 -0.423 0.000 0.927 315 F HN 0.660 nan 8.300 nan 0.000 0.527 316 A N 4.558 127.569 122.820 0.319 0.000 3.396 316 A HA -0.309 4.011 4.320 -0.000 0.000 0.267 316 A C 0.885 178.463 177.584 -0.010 0.000 1.139 316 A CA 1.101 53.188 52.037 0.083 0.000 1.115 316 A CB -2.444 16.326 19.000 -0.384 0.000 1.133 316 A HN 0.703 nan 8.150 nan 0.000 0.920 317 M N 0.433 120.088 119.600 0.090 0.000 2.228 317 M HA 0.374 4.854 4.480 -0.000 0.000 0.351 317 M C 1.166 177.650 176.300 0.306 0.000 1.233 317 M CA 0.851 56.200 55.300 0.082 0.000 1.129 317 M CB 0.541 33.178 32.600 0.062 0.000 1.604 317 M HN 0.618 nan 8.290 nan 0.000 0.457 318 G N 2.720 111.722 108.800 0.338 0.000 2.483 318 G HA2 0.424 4.384 3.960 -0.000 0.000 0.248 318 G HA3 0.424 4.384 3.960 -0.000 0.000 0.248 318 G C -0.606 174.567 174.900 0.455 0.000 1.248 318 G CA -0.307 45.048 45.100 0.426 0.000 0.838 318 G HN 0.925 nan 8.290 nan 0.000 0.566 319 H N -0.634 118.526 119.070 0.150 0.000 2.967 319 H HA 0.518 5.075 4.556 0.001 0.000 0.318 319 H C -1.692 173.746 175.328 0.184 0.000 1.375 319 H CA -1.136 54.976 56.048 0.106 0.000 1.132 319 H CB 1.038 30.805 29.762 0.008 0.000 1.848 319 H HN 0.767 nan 8.280 nan 0.000 0.524 320 Y N -1.065 119.369 120.300 0.224 0.000 2.615 320 Y HA 0.680 5.230 4.550 0.001 0.000 0.341 320 Y C -1.872 174.194 175.900 0.278 0.000 1.089 320 Y CA -1.248 56.993 58.100 0.235 0.000 1.049 320 Y CB 1.445 40.020 38.460 0.192 0.000 1.296 320 Y HN 0.423 nan 8.280 nan 0.000 0.470 321 V N 1.724 121.839 119.914 0.334 0.000 2.447 321 V HA 0.348 4.468 4.120 -0.000 0.000 0.292 321 V C -0.729 175.559 176.094 0.325 0.000 1.021 321 V CA -0.760 61.641 62.300 0.168 0.000 0.850 321 V CB 1.205 33.004 31.823 -0.040 0.000 1.005 321 V HN 0.860 nan 8.190 nan 0.000 0.426 322 E N 3.912 124.323 120.200 0.352 0.000 2.175 322 E HA 0.280 4.630 4.350 -0.000 0.000 0.278 322 E C -0.404 176.328 176.600 0.220 0.000 0.969 322 E CA -0.706 55.891 56.400 0.328 0.000 0.796 322 E CB 1.068 31.000 29.700 0.385 0.000 1.104 322 E HN 0.665 nan 8.360 nan 0.000 0.395 323 N N 4.506 123.324 118.700 0.196 0.000 2.442 323 N HA 0.041 4.781 4.740 -0.000 0.000 0.265 323 N C 0.308 175.890 175.510 0.120 0.000 1.138 323 N CA 0.064 53.209 53.050 0.158 0.000 0.956 323 N CB 0.469 39.050 38.487 0.156 0.000 1.067 323 N HN 0.618 nan 8.380 nan 0.000 0.474 324 I N 0.417 121.045 120.570 0.097 0.000 3.936 324 I HA 0.534 4.703 4.170 -0.000 0.000 0.330 324 I C 0.653 176.803 176.117 0.055 0.000 1.509 324 I CA -0.668 60.675 61.300 0.072 0.000 1.126 324 I CB 0.487 38.523 38.000 0.061 0.000 1.115 324 I HN 0.285 nan 8.210 nan 0.000 0.424 325 G N 1.237 110.074 108.800 0.063 0.000 3.013 325 G HA2 0.390 4.350 3.960 -0.000 0.000 0.278 325 G HA3 0.390 4.350 3.960 -0.000 0.000 0.278 325 G C -0.493 174.441 174.900 0.056 0.000 1.353 325 G CA -0.013 45.119 45.100 0.053 0.000 1.043 325 G HN 0.300 nan 8.290 nan 0.000 0.523 326 D N -1.190 119.239 120.400 0.049 0.000 2.349 326 D HA 0.124 4.764 4.640 -0.000 0.000 0.214 326 D C 0.291 176.622 176.300 0.053 0.000 1.063 326 D CA 0.225 54.253 54.000 0.047 0.000 0.847 326 D CB 0.467 41.290 40.800 0.038 0.000 0.933 326 D HN 0.221 nan 8.370 nan 0.000 0.513 327 E N 0.670 120.907 120.200 0.062 0.000 2.249 327 E HA 0.402 4.752 4.350 -0.000 0.000 0.263 327 E C -2.555 174.096 176.600 0.085 0.000 0.950 327 E CA -2.371 54.070 56.400 0.069 0.000 0.827 327 E CB 0.704 30.445 29.700 0.068 0.000 1.220 327 E HN -0.056 nan 8.360 nan 0.000 0.411 328 P HA -0.027 nan 4.420 nan 0.000 0.265 328 P C -0.497 176.883 177.300 0.133 0.000 1.187 328 P CA -0.097 63.067 63.100 0.106 0.000 0.766 328 P CB 0.292 32.050 31.700 0.098 0.000 0.820 329 L N 4.910 126.235 121.223 0.169 0.000 2.282 329 L HA 0.512 4.852 4.340 -0.000 0.000 0.288 329 L C -1.165 175.861 176.870 0.259 0.000 1.033 329 L CA -0.235 54.749 54.840 0.240 0.000 0.807 329 L CB 1.219 43.453 42.059 0.292 0.000 1.209 329 L HN 0.053 nan 8.230 nan 0.000 0.423 330 V N 6.861 126.928 119.914 0.254 0.000 2.525 330 V HA 0.614 4.734 4.120 -0.000 0.000 0.299 330 V C -0.616 175.574 176.094 0.160 0.000 1.034 330 V CA -0.407 61.975 62.300 0.137 0.000 0.863 330 V CB 1.146 33.025 31.823 0.094 0.000 0.999 330 V HN 0.733 nan 8.190 nan 0.000 0.423 331 F N 3.353 123.235 119.950 -0.113 0.000 2.662 331 F HA 0.868 5.395 4.527 -0.000 0.000 0.312 331 F C -1.631 174.032 175.800 -0.228 0.000 1.113 331 F CA -1.342 56.475 58.000 -0.305 0.000 0.951 331 F CB 1.585 40.167 39.000 -0.697 0.000 1.344 331 F HN 0.248 nan 8.300 nan 0.000 0.462 332 L N 1.835 123.008 121.223 -0.084 0.000 2.317 332 L HA 0.520 4.860 4.340 -0.000 0.000 0.281 332 L C -0.772 176.091 176.870 -0.012 0.000 1.024 332 L CA -0.662 54.126 54.840 -0.087 0.000 0.810 332 L CB 1.894 43.968 42.059 0.026 0.000 1.240 332 L HN 0.678 nan 8.230 nan 0.000 0.427 333 E N 4.329 124.508 120.200 -0.035 0.000 2.133 333 E HA 0.517 4.867 4.350 -0.000 0.000 0.274 333 E C -1.036 175.378 176.600 -0.311 0.000 0.930 333 E CA -0.581 55.765 56.400 -0.091 0.000 0.770 333 E CB 2.113 31.946 29.700 0.223 0.000 1.104 333 E HN 0.262 nan 8.360 nan 0.000 0.403 334 I N 3.318 123.528 120.570 -0.599 0.000 2.509 334 I HA 0.458 4.628 4.170 -0.000 0.000 0.293 334 I C -0.676 174.885 176.117 -0.928 0.000 1.020 334 I CA -0.791 60.155 61.300 -0.591 0.000 1.088 334 I CB 0.848 38.638 38.000 -0.350 0.000 1.267 334 I HN 0.482 nan 8.210 nan 0.000 0.430 335 F N 3.293 123.099 119.950 -0.239 0.000 2.569 335 F HA 0.369 4.895 4.527 -0.001 0.000 0.312 335 F C 0.462 176.137 175.800 -0.207 0.000 1.109 335 F CA -0.891 56.971 58.000 -0.230 0.000 0.919 335 F CB 1.855 40.670 39.000 -0.308 0.000 1.211 335 F HN 0.285 nan 8.300 nan 0.000 0.446 336 K N 2.997 123.398 120.400 0.001 0.000 2.150 336 K HA 0.263 4.583 4.320 -0.000 0.000 0.261 336 K C -1.330 175.247 176.600 -0.038 0.000 1.127 336 K CA 0.229 56.506 56.287 -0.017 0.000 0.989 336 K CB -0.091 32.416 32.500 0.012 0.000 1.475 336 K HN 0.702 nan 8.250 nan 0.000 0.391 337 D N 0.881 121.244 120.400 -0.063 0.000 2.692 337 D HA -0.001 4.639 4.640 -0.000 0.000 0.290 337 D C -0.531 175.710 176.300 -0.098 0.000 1.281 337 D CA -0.424 53.507 54.000 -0.114 0.000 0.804 337 D CB 1.262 41.909 40.800 -0.256 0.000 1.331 337 D HN 0.471 nan 8.370 nan 0.000 0.432 338 D N -0.602 119.767 120.400 -0.051 0.000 2.328 338 D HA 0.014 4.654 4.640 -0.000 0.000 0.226 338 D C 0.301 176.636 176.300 0.057 0.000 1.066 338 D CA 0.589 54.579 54.000 -0.017 0.000 0.861 338 D CB -0.190 40.612 40.800 0.004 0.000 0.912 338 D HN 0.462 nan 8.370 nan 0.000 0.521 339 H N -3.047 115.962 119.070 -0.100 0.000 3.064 339 H HA 0.272 4.828 4.556 0.000 0.000 0.352 339 H C -1.934 173.327 175.328 -0.112 0.000 1.260 339 H CA -1.074 54.925 56.048 -0.082 0.000 1.160 339 H CB 0.021 29.735 29.762 -0.081 0.000 1.879 339 H HN -0.051 nan 8.280 nan 0.000 0.544 340 Y N 2.001 122.185 120.300 -0.193 0.000 2.319 340 Y HA 0.549 5.100 4.550 0.001 0.000 0.328 340 Y C -0.750 175.024 175.900 -0.211 0.000 1.133 340 Y CA 0.524 58.426 58.100 -0.330 0.000 1.265 340 Y CB 0.728 39.085 38.460 -0.171 0.000 1.218 340 Y HN 0.928 nan 8.280 nan 0.000 0.508 341 A N 5.135 127.557 122.820 -0.663 0.000 2.547 341 A HA 0.552 4.872 4.320 -0.000 0.000 0.297 341 A C -1.942 175.407 177.584 -0.392 0.000 1.056 341 A CA -0.658 51.212 52.037 -0.279 0.000 0.688 341 A CB 1.228 20.176 19.000 -0.087 0.000 1.282 341 A HN 0.734 nan 8.150 nan 0.000 0.400 342 D N 0.195 120.467 120.400 -0.215 0.000 2.581 342 D HA 0.571 5.211 4.640 -0.000 0.000 0.232 342 D C -1.326 174.737 176.300 -0.395 0.000 1.143 342 D CA -0.607 53.201 54.000 -0.320 0.000 0.881 342 D CB 1.586 42.248 40.800 -0.229 0.000 1.500 342 D HN 0.360 nan 8.370 nan 0.000 0.458 343 V N 0.737 120.233 119.914 -0.696 0.000 2.409 343 V HA 0.431 4.551 4.120 -0.000 0.000 0.291 343 V C 0.185 175.893 176.094 -0.643 0.000 1.020 343 V CA -0.832 60.966 62.300 -0.836 0.000 0.848 343 V CB 1.260 32.170 31.823 -1.521 0.000 0.990 343 V HN 0.704 nan 8.190 nan 0.000 0.430 344 S N 4.281 119.801 115.700 -0.300 0.000 2.499 344 S HA 0.231 4.701 4.470 -0.000 0.000 0.275 344 S C 0.908 175.547 174.600 0.064 0.000 1.257 344 S CA -0.565 57.584 58.200 -0.084 0.000 1.050 344 S CB 0.825 63.994 63.200 -0.051 0.000 0.937 344 S HN 0.679 nan 8.310 nan 0.000 0.490 345 L N 6.048 127.393 121.223 0.204 0.000 2.012 345 L HA -0.071 4.269 4.340 -0.000 0.000 0.210 345 L C 2.232 179.264 176.870 0.271 0.000 1.073 345 L CA 2.102 57.185 54.840 0.404 0.000 0.748 345 L CB -1.192 41.089 42.059 0.369 0.000 0.891 345 L HN 0.840 nan 8.230 nan 0.000 0.431 346 N N -0.265 118.532 118.700 0.161 0.000 2.025 346 N HA -0.294 4.446 4.740 -0.000 0.000 0.194 346 N C 1.970 177.524 175.510 0.074 0.000 1.044 346 N CA 2.136 55.240 53.050 0.091 0.000 0.851 346 N CB -0.359 38.169 38.487 0.068 0.000 1.036 346 N HN 0.678 nan 8.380 nan 0.000 0.422 347 Q N -1.142 118.698 119.800 0.068 0.000 2.124 347 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 347 Q C 1.978 178.061 176.000 0.138 0.000 0.977 347 Q CA 1.445 57.278 55.803 0.049 0.000 0.850 347 Q CB -0.405 28.327 28.738 -0.010 0.000 0.901 347 Q HN 0.532 nan 8.270 nan 0.000 0.429 348 W N 1.366 122.650 121.300 -0.026 0.000 2.317 348 W HA -0.236 4.425 4.660 0.001 0.000 0.318 348 W C 1.542 178.085 176.519 0.040 0.000 1.227 348 W CA 1.708 59.059 57.345 0.010 0.000 1.269 348 W CB -0.794 28.691 29.460 0.043 0.000 1.155 348 W HN 0.185 nan 8.180 nan 0.000 0.484 349 L N 0.694 121.866 121.223 -0.085 0.000 2.141 349 L HA -0.107 4.233 4.340 -0.000 0.000 0.209 349 L C 2.653 179.476 176.870 -0.079 0.000 1.094 349 L CA 1.228 55.917 54.840 -0.252 0.000 0.763 349 L CB -1.495 40.431 42.059 -0.221 0.000 0.908 349 L HN 0.089 nan 8.230 nan 0.000 0.437 350 A N -0.489 122.319 122.820 -0.020 0.000 2.019 350 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 350 A C 2.053 179.643 177.584 0.011 0.000 1.164 350 A CA 1.291 53.321 52.037 -0.012 0.000 0.644 350 A CB -0.234 18.760 19.000 -0.011 0.000 0.805 350 A HN 0.303 nan 8.150 nan 0.000 0.449 351 M N -0.459 119.166 119.600 0.042 0.000 2.453 351 M HA 0.380 4.860 4.480 -0.000 0.000 0.239 351 M C -0.259 176.083 176.300 0.070 0.000 1.151 351 M CA 0.332 55.669 55.300 0.060 0.000 0.989 351 M CB -0.812 31.842 32.600 0.090 0.000 1.548 351 M HN 0.212 nan 8.290 nan 0.000 0.479 352 L N 0.190 121.446 121.223 0.055 0.000 2.319 352 L HA 0.500 4.840 4.340 -0.000 0.000 0.267 352 L C -2.047 174.865 176.870 0.071 0.000 1.011 352 L CA -2.031 52.855 54.840 0.078 0.000 0.818 352 L CB 1.187 43.308 42.059 0.103 0.000 1.316 352 L HN -0.086 nan 8.230 nan 0.000 0.432 353 P HA -0.009 nan 4.420 nan 0.000 0.264 353 P C 0.243 177.617 177.300 0.123 0.000 1.193 353 P CA -0.137 63.009 63.100 0.077 0.000 0.763 353 P CB 0.458 32.185 31.700 0.045 0.000 0.810 354 E N 1.755 122.002 120.200 0.079 0.000 2.110 354 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 354 E C 1.106 177.766 176.600 0.099 0.000 0.988 354 E CA 1.922 58.367 56.400 0.074 0.000 0.804 354 E CB -0.953 28.774 29.700 0.045 0.000 0.745 354 E HN 0.512 nan 8.360 nan 0.000 0.458 355 T N -1.251 113.370 114.554 0.111 0.000 2.867 355 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 355 T C 1.693 176.504 174.700 0.185 0.000 1.057 355 T CA 0.918 63.090 62.100 0.119 0.000 1.136 355 T CB -0.562 68.367 68.868 0.102 0.000 0.874 355 T HN 0.218 nan 8.240 nan 0.000 0.466 356 F N 2.123 122.103 119.950 0.049 0.000 2.146 356 F HA 0.047 4.574 4.527 -0.000 0.000 0.298 356 F C 2.323 178.204 175.800 0.136 0.000 1.096 356 F CA 0.403 58.460 58.000 0.095 0.000 1.275 356 F CB -0.578 38.462 39.000 0.065 0.000 1.008 356 F HN -0.003 nan 8.300 nan 0.000 0.480 357 V N 0.169 120.132 119.914 0.081 0.000 2.343 357 V HA -0.325 3.795 4.120 -0.000 0.000 0.247 357 V C 2.279 178.367 176.094 -0.010 0.000 1.051 357 V CA 2.203 64.465 62.300 -0.064 0.000 1.036 357 V CB -0.826 30.977 31.823 -0.033 0.000 0.654 357 V HN 0.353 nan 8.190 nan 0.000 0.451 358 Q N -0.083 119.740 119.800 0.039 0.000 2.124 358 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 358 Q C 2.382 178.374 176.000 -0.012 0.000 0.977 358 Q CA 1.790 57.607 55.803 0.024 0.000 0.850 358 Q CB -0.453 28.311 28.738 0.043 0.000 0.901 358 Q HN 0.675 nan 8.270 nan 0.000 0.429 359 A N 0.160 122.977 122.820 -0.007 0.000 1.972 359 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 359 A C 1.422 178.909 177.584 -0.162 0.000 1.169 359 A CA 1.630 53.627 52.037 -0.068 0.000 0.635 359 A CB -0.523 18.445 19.000 -0.053 0.000 0.810 359 A HN 0.355 nan 8.150 nan 0.000 0.446 360 H N -0.674 118.248 119.070 -0.246 0.000 2.372 360 H HA 0.162 4.718 4.556 -0.000 0.000 0.301 360 H C 1.602 176.812 175.328 -0.198 0.000 1.065 360 H CA 1.643 57.536 56.048 -0.257 0.000 1.364 360 H CB -0.017 29.538 29.762 -0.344 0.000 1.406 360 H HN 0.372 nan 8.280 nan 0.000 0.521 361 L N -0.050 121.130 121.223 -0.070 0.000 2.585 361 L HA 0.043 4.383 4.340 -0.000 0.000 0.226 361 L C -0.085 176.696 176.870 -0.149 0.000 1.113 361 L CA 0.036 54.788 54.840 -0.147 0.000 0.876 361 L CB 0.274 42.189 42.059 -0.239 0.000 1.072 361 L HN 0.206 nan 8.230 nan 0.000 0.468 362 D N 1.049 121.384 120.400 -0.108 0.000 2.751 362 D HA -0.180 4.460 4.640 -0.000 0.000 0.233 362 D C -0.279 175.966 176.300 -0.092 0.000 1.149 362 D CA 0.982 54.928 54.000 -0.090 0.000 0.682 362 D CB -1.358 39.389 40.800 -0.088 0.000 1.068 362 D HN 0.270 nan 8.370 nan 0.000 0.429 363 L N -1.085 120.082 121.223 -0.093 0.000 2.309 363 L HA 0.792 5.132 4.340 -0.000 0.000 0.261 363 L C 1.351 178.225 176.870 0.006 0.000 1.021 363 L CA -0.807 53.990 54.840 -0.073 0.000 0.823 363 L CB 2.081 44.030 42.059 -0.184 0.000 1.366 363 L HN 0.042 nan 8.230 nan 0.000 0.423 364 G N -0.617 108.212 108.800 0.049 0.000 2.971 364 G HA2 0.283 4.243 3.960 -0.000 0.000 0.235 364 G HA3 0.283 4.243 3.960 -0.000 0.000 0.235 364 G C 0.262 175.218 174.900 0.092 0.000 1.351 364 G CA -0.391 44.743 45.100 0.058 0.000 1.039 364 G HN 0.620 nan 8.290 nan 0.000 0.563 365 K N -0.668 119.769 120.400 0.061 0.000 2.113 365 K HA -0.134 4.186 4.320 -0.000 0.000 0.208 365 K C 1.761 178.390 176.600 0.049 0.000 1.047 365 K CA 1.727 58.044 56.287 0.049 0.000 0.928 365 K CB -0.053 32.464 32.500 0.029 0.000 0.716 365 K HN 0.355 nan 8.250 nan 0.000 0.446 366 D N -0.427 120.008 120.400 0.059 0.000 2.265 366 D HA -0.174 4.466 4.640 -0.000 0.000 0.208 366 D C 1.403 177.750 176.300 0.079 0.000 0.977 366 D CA 0.877 54.909 54.000 0.054 0.000 0.871 366 D CB -0.057 40.776 40.800 0.055 0.000 0.925 366 D HN 0.212 nan 8.370 nan 0.000 0.485 367 F N 1.120 121.061 119.950 -0.016 0.000 2.243 367 F HA -0.089 4.438 4.527 -0.000 0.000 0.287 367 F C 2.464 178.251 175.800 -0.020 0.000 1.067 367 F CA 1.608 59.595 58.000 -0.021 0.000 1.304 367 F CB -0.615 38.368 39.000 -0.028 0.000 1.087 367 F HN -0.075 nan 8.300 nan 0.000 0.513 368 T N -2.360 112.211 114.554 0.028 0.000 2.929 368 T HA -0.169 4.181 4.350 -0.000 0.000 0.271 368 T C 1.468 176.088 174.700 -0.134 0.000 1.085 368 T CA 1.484 63.542 62.100 -0.071 0.000 1.125 368 T CB -0.666 68.230 68.868 0.047 0.000 0.874 368 T HN 0.174 nan 8.240 nan 0.000 0.494 369 D N 1.424 121.761 120.400 -0.104 0.000 2.218 369 D HA -0.057 4.583 4.640 -0.000 0.000 0.204 369 D C 2.234 178.456 176.300 -0.131 0.000 0.976 369 D CA 1.208 55.155 54.000 -0.089 0.000 0.853 369 D CB -0.156 40.613 40.800 -0.052 0.000 0.939 369 D HN 0.579 nan 8.370 nan 0.000 0.481 370 V N -1.571 118.206 119.914 -0.228 0.000 3.406 370 V HA 0.128 4.248 4.120 -0.000 0.000 0.263 370 V C 0.971 176.939 176.094 -0.210 0.000 1.172 370 V CA -0.016 62.152 62.300 -0.220 0.000 1.140 370 V CB -0.705 30.958 31.823 -0.267 0.000 0.784 370 V HN -0.066 nan 8.190 nan 0.000 0.467 371 L N 1.867 122.947 121.223 -0.239 0.000 2.461 371 L HA 0.391 4.731 4.340 -0.000 0.000 0.272 371 L C 0.524 177.352 176.870 -0.070 0.000 1.197 371 L CA 0.696 55.435 54.840 -0.167 0.000 0.836 371 L CB 0.987 42.950 42.059 -0.160 0.000 1.105 371 L HN 0.315 nan 8.230 nan 0.000 0.477 372 S N 0.811 116.497 115.700 -0.024 0.000 2.502 372 S HA 0.316 4.786 4.470 -0.000 0.000 0.304 372 S C 0.477 175.068 174.600 -0.015 0.000 1.097 372 S CA -0.837 57.372 58.200 0.014 0.000 1.045 372 S CB 1.491 64.760 63.200 0.116 0.000 1.019 372 S HN 0.639 nan 8.310 nan 0.000 0.481 373 K N 1.929 122.318 120.400 -0.018 0.000 2.366 373 K HA 0.070 4.390 4.320 -0.000 0.000 0.198 373 K C -0.179 176.379 176.600 -0.071 0.000 1.044 373 K CA 0.693 56.962 56.287 -0.029 0.000 0.973 373 K CB 0.079 32.570 32.500 -0.015 0.000 0.767 373 K HN 0.567 nan 8.250 nan 0.000 0.475 374 E N 1.502 121.631 120.200 -0.118 0.000 2.249 374 E HA 0.113 4.463 4.350 -0.000 0.000 0.280 374 E C -0.792 175.511 176.600 -0.496 0.000 1.016 374 E CA -0.362 55.893 56.400 -0.243 0.000 0.830 374 E CB 1.360 30.942 29.700 -0.198 0.000 1.081 374 E HN -0.072 nan 8.360 nan 0.000 0.395 375 K N 3.049 123.212 120.400 -0.394 0.000 2.339 375 K HA 0.082 4.402 4.320 -0.000 0.000 0.286 375 K C -0.854 175.455 176.600 -0.485 0.000 1.050 375 K CA -0.356 55.717 56.287 -0.356 0.000 0.956 375 K CB 0.363 32.755 32.500 -0.178 0.000 0.990 375 K HN 0.595 nan 8.250 nan 0.000 0.475 376 H N 5.836 124.892 119.070 -0.023 0.000 2.725 376 H HA 0.157 4.713 4.556 0.000 0.000 0.283 376 H C -2.086 173.228 175.328 -0.022 0.000 1.110 376 H CA -2.353 53.681 56.048 -0.024 0.000 1.289 376 H CB 1.418 31.171 29.762 -0.015 0.000 1.400 376 H HN 0.543 nan 8.280 nan 0.000 0.493 377 P HA -0.134 nan 4.420 nan 0.000 0.218 377 P C 0.303 177.627 177.300 0.039 0.000 1.148 377 P CA 0.896 63.989 63.100 -0.012 0.000 0.822 377 P CB 0.559 32.229 31.700 -0.050 0.000 0.784 378 V N 0.284 120.236 119.914 0.064 0.000 2.483 378 V HA 0.322 4.442 4.120 -0.000 0.000 0.297 378 V C 0.014 176.155 176.094 0.078 0.000 1.027 378 V CA -1.007 61.343 62.300 0.084 0.000 0.855 378 V CB 2.029 33.893 31.823 0.068 0.000 0.995 378 V HN -0.175 nan 8.190 nan 0.000 0.424 379 V N 1.631 121.596 119.914 0.086 0.000 2.815 379 V HA 0.811 4.931 4.120 -0.000 0.000 0.314 379 V C -0.326 175.797 176.094 0.048 0.000 1.064 379 V CA -0.920 61.413 62.300 0.054 0.000 0.952 379 V CB 1.841 33.700 31.823 0.060 0.000 1.020 379 V HN 0.630 nan 8.190 nan 0.000 0.439 380 K N 2.469 122.881 120.400 0.019 0.000 2.206 380 K HA 0.461 4.781 4.320 -0.000 0.000 0.264 380 K C -0.142 176.468 176.600 0.017 0.000 0.967 380 K CA -0.682 55.619 56.287 0.022 0.000 0.844 380 K CB 1.319 33.824 32.500 0.009 0.000 1.099 380 K HN 0.969 nan 8.250 nan 0.000 0.441 381 K N 3.003 123.419 120.400 0.026 0.000 2.485 381 K HA 0.095 4.415 4.320 -0.000 0.000 0.277 381 K C 0.265 176.872 176.600 0.011 0.000 0.990 381 K CA 0.450 56.749 56.287 0.020 0.000 0.994 381 K CB 0.466 32.981 32.500 0.026 0.000 0.906 381 K HN 0.463 nan 8.250 nan 0.000 0.488 382 K N 0.000 120.404 120.400 0.007 0.000 2.780 382 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 382 K CA 0.000 56.288 56.287 0.002 0.000 0.838 382 K CB 0.000 32.498 32.500 -0.003 0.000 1.064 382 K HN 0.000 nan 8.250 nan 0.000 0.543