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 2uya_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 DDGSFSXXST 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 2.843 123.407 120.570 -0.009 0.000 2.388 7 I HA 0.265 4.434 4.170 -0.000 0.000 0.281 7 I C -1.899 174.210 176.117 -0.013 0.000 1.046 7 I CA -1.427 59.866 61.300 -0.011 0.000 1.187 7 I CB 1.424 39.417 38.000 -0.011 0.000 1.351 7 I HN 0.055 nan 8.210 nan 0.000 0.472 8 P HA 0.150 nan 4.420 nan 0.000 0.271 8 P C -1.000 176.289 177.300 -0.019 0.000 1.218 8 P CA -0.239 62.851 63.100 -0.017 0.000 0.780 8 P CB 1.042 32.729 31.700 -0.021 0.000 0.901 9 Q N 1.779 121.568 119.800 -0.018 0.000 2.394 9 Q HA 0.344 4.683 4.340 -0.000 0.000 0.273 9 Q C -2.371 173.616 176.000 -0.021 0.000 1.089 9 Q CA -2.043 53.749 55.803 -0.019 0.000 0.812 9 Q CB 2.178 30.906 28.738 -0.016 0.000 1.353 9 Q HN 0.359 nan 8.270 nan 0.000 0.438 10 P HA 0.278 nan 4.420 nan 0.000 0.237 10 P C -0.618 176.668 177.300 -0.022 0.000 1.788 10 P CA 0.319 63.404 63.100 -0.026 0.000 1.061 10 P CB -0.239 31.444 31.700 -0.029 0.000 1.967 11 I N 1.691 122.249 120.570 -0.020 0.000 2.569 11 I HA 0.413 4.583 4.170 -0.000 0.000 0.290 11 I C 0.293 176.401 176.117 -0.016 0.000 1.088 11 I CA -0.755 60.535 61.300 -0.017 0.000 1.047 11 I CB 3.165 41.157 38.000 -0.014 0.000 1.237 11 I HN -0.019 nan 8.210 nan 0.000 0.421 12 R N 4.849 125.340 120.500 -0.015 0.000 2.545 12 R HA 0.551 4.891 4.340 -0.000 0.000 0.289 12 R C 0.358 176.652 176.300 -0.011 0.000 1.327 12 R CA 0.341 56.433 56.100 -0.013 0.000 1.040 12 R CB 1.055 31.346 30.300 -0.014 0.000 1.176 12 R HN 0.937 nan 8.270 nan 0.000 0.518 13 G N 3.655 112.449 108.800 -0.010 0.000 2.565 13 G HA2 -0.425 3.535 3.960 -0.000 0.000 0.295 13 G HA3 -0.425 3.535 3.960 -0.000 0.000 0.295 13 G C 0.168 175.063 174.900 -0.009 0.000 1.165 13 G CA 0.598 45.693 45.100 -0.009 0.000 0.977 13 G HN 0.746 nan 8.290 nan 0.000 0.546 14 D N 1.399 121.793 120.400 -0.009 0.000 2.325 14 D HA 0.255 4.895 4.640 -0.000 0.000 0.225 14 D C 0.773 177.068 176.300 -0.009 0.000 1.096 14 D CA 0.518 54.513 54.000 -0.009 0.000 0.844 14 D CB 0.086 40.881 40.800 -0.008 0.000 0.925 14 D HN 0.642 nan 8.370 nan 0.000 0.513 15 K N 0.185 120.579 120.400 -0.010 0.000 2.156 15 K HA 0.585 4.905 4.320 -0.000 0.000 0.250 15 K C 0.624 177.216 176.600 -0.013 0.000 0.955 15 K CA -0.410 55.870 56.287 -0.011 0.000 0.855 15 K CB 1.885 34.378 32.500 -0.011 0.000 1.101 15 K HN 0.152 nan 8.250 nan 0.000 0.434 16 G N 0.284 109.075 108.800 -0.014 0.000 2.725 16 G HA2 0.143 4.103 3.960 -0.000 0.000 0.220 16 G HA3 0.143 4.103 3.960 -0.000 0.000 0.220 16 G C -1.173 173.718 174.900 -0.015 0.000 1.357 16 G CA -0.509 44.581 45.100 -0.016 0.000 0.866 16 G HN 0.940 nan 8.290 nan 0.000 0.548 17 A N -1.819 120.992 122.820 -0.015 0.000 2.586 17 A HA 1.009 5.328 4.320 -0.000 0.000 0.291 17 A C 0.231 177.806 177.584 -0.015 0.000 1.062 17 A CA 0.846 52.874 52.037 -0.014 0.000 0.666 17 A CB 0.513 19.505 19.000 -0.013 0.000 1.281 17 A HN 2.641 nan 8.150 nan 0.000 0.421 18 T N -0.625 113.921 114.554 -0.013 0.000 2.900 18 T HA 0.481 4.830 4.350 -0.000 0.000 0.307 18 T C 0.255 174.946 174.700 -0.014 0.000 1.065 18 T CA -0.297 61.795 62.100 -0.013 0.000 1.105 18 T CB 0.457 69.318 68.868 -0.011 0.000 0.979 18 T HN 1.116 nan 8.240 nan 0.000 0.544 19 V N 3.825 123.730 119.914 -0.015 0.000 2.488 19 V HA 0.218 4.337 4.120 -0.000 0.000 0.277 19 V C 1.190 177.276 176.094 -0.013 0.000 1.046 19 V CA -0.365 61.926 62.300 -0.015 0.000 0.986 19 V CB 0.901 32.714 31.823 -0.017 0.000 0.989 19 V HN 0.888 nan 8.190 nan 0.000 0.475 20 K N 3.806 124.199 120.400 -0.012 0.000 2.360 20 K HA 0.332 4.652 4.320 -0.000 0.000 0.196 20 K C 0.381 176.975 176.600 -0.010 0.000 1.049 20 K CA 0.247 56.528 56.287 -0.010 0.000 1.049 20 K CB 0.587 33.081 32.500 -0.010 0.000 0.881 20 K HN 0.801 nan 8.250 nan 0.000 0.542 21 I N -0.388 120.175 120.570 -0.011 0.000 2.924 21 I HA 0.441 4.611 4.170 -0.000 0.000 0.316 21 I C -2.383 173.728 176.117 -0.011 0.000 1.014 21 I CA -2.626 58.668 61.300 -0.011 0.000 1.106 21 I CB 0.373 38.367 38.000 -0.011 0.000 1.311 21 I HN -0.269 nan 8.210 nan 0.000 0.502 22 P HA 0.223 nan 4.420 nan 0.000 0.266 22 P C -1.235 176.058 177.300 -0.013 0.000 1.195 22 P CA -0.100 62.994 63.100 -0.011 0.000 0.768 22 P CB 0.417 32.111 31.700 -0.009 0.000 0.838 23 R N 0.814 121.306 120.500 -0.014 0.000 2.781 23 R HA 0.514 4.854 4.340 -0.000 0.000 0.269 23 R C -1.071 175.218 176.300 -0.019 0.000 1.025 23 R CA -0.992 55.098 56.100 -0.017 0.000 0.914 23 R CB 0.858 31.146 30.300 -0.019 0.000 1.236 23 R HN 0.125 nan 8.270 nan 0.000 0.465 24 N N 1.545 120.231 118.700 -0.023 0.000 2.801 24 N HA 0.222 4.961 4.740 -0.000 0.000 0.235 24 N C 0.544 176.038 175.510 -0.027 0.000 1.069 24 N CA -0.348 52.687 53.050 -0.025 0.000 0.946 24 N CB 0.508 38.977 38.487 -0.030 0.000 1.212 24 N HN 0.719 nan 8.380 nan 0.000 0.509 25 I N 1.551 122.107 120.570 -0.023 0.000 2.315 25 I HA -0.229 3.941 4.170 -0.000 0.000 0.248 25 I C 1.389 177.491 176.117 -0.025 0.000 1.117 25 I CA 0.950 62.237 61.300 -0.023 0.000 1.404 25 I CB 0.216 38.206 38.000 -0.018 0.000 1.071 25 I HN 0.375 nan 8.210 nan 0.000 0.419 26 E N 0.774 120.959 120.200 -0.025 0.000 2.077 26 E HA -0.167 4.182 4.350 -0.000 0.000 0.193 26 E C 2.272 178.851 176.600 -0.035 0.000 0.989 26 E CA 1.038 57.422 56.400 -0.026 0.000 0.800 26 E CB -0.140 29.546 29.700 -0.023 0.000 0.746 26 E HN 0.333 nan 8.360 nan 0.000 0.452 27 R N 0.515 120.991 120.500 -0.041 0.000 2.092 27 R HA -0.099 4.241 4.340 -0.000 0.000 0.231 27 R C 1.539 177.806 176.300 -0.056 0.000 1.119 27 R CA 1.323 57.390 56.100 -0.054 0.000 0.970 27 R CB -0.124 30.140 30.300 -0.060 0.000 0.864 27 R HN 0.183 nan 8.270 nan 0.000 0.440 28 D N 0.304 120.676 120.400 -0.047 0.000 2.149 28 D HA -0.146 4.494 4.640 -0.000 0.000 0.198 28 D C 1.869 178.142 176.300 -0.045 0.000 0.990 28 D CA 1.199 55.171 54.000 -0.046 0.000 0.839 28 D CB -0.098 40.679 40.800 -0.038 0.000 0.948 28 D HN 0.175 nan 8.370 nan 0.000 0.460 29 R N 0.264 120.741 120.500 -0.038 0.000 2.115 29 R HA -0.037 4.303 4.340 -0.000 0.000 0.230 29 R C 2.268 178.544 176.300 -0.040 0.000 1.111 29 R CA 0.805 56.885 56.100 -0.033 0.000 0.976 29 R CB -0.076 30.209 30.300 -0.025 0.000 0.870 29 R HN 0.344 nan 8.270 nan 0.000 0.445 30 Q N -0.020 119.751 119.800 -0.050 0.000 2.297 30 Q HA -0.009 4.331 4.340 -0.000 0.000 0.204 30 Q C 0.062 176.012 176.000 -0.084 0.000 0.962 30 Q CA 0.635 56.401 55.803 -0.062 0.000 0.879 30 Q CB 0.298 28.995 28.738 -0.068 0.000 0.947 30 Q HN 0.248 nan 8.270 nan 0.000 0.462 31 N N 0.581 119.230 118.700 -0.084 0.000 2.806 31 N HA 0.115 4.855 4.740 -0.000 0.000 0.315 31 N C -2.119 173.341 175.510 -0.084 0.000 1.738 31 N CA -1.147 51.842 53.050 -0.103 0.000 0.993 31 N CB 0.872 39.293 38.487 -0.110 0.000 1.324 31 N HN 0.132 nan 8.380 nan 0.000 0.493 32 P HA -0.079 nan 4.420 nan 0.000 0.218 32 P C 0.281 177.549 177.300 -0.054 0.000 1.149 32 P CA 1.189 64.259 63.100 -0.050 0.000 0.817 32 P CB 0.523 32.203 31.700 -0.033 0.000 0.785 33 D N -1.275 119.086 120.400 -0.066 0.000 2.340 33 D HA 0.130 4.769 4.640 -0.000 0.000 0.220 33 D C 1.711 177.942 176.300 -0.116 0.000 1.039 33 D CA 0.558 54.517 54.000 -0.069 0.000 0.866 33 D CB 0.197 40.969 40.800 -0.046 0.000 0.913 33 D HN 0.308 nan 8.370 nan 0.000 0.523 34 M N -0.454 119.069 119.600 -0.127 0.000 2.800 34 M HA 0.039 4.519 4.480 -0.000 0.000 0.257 34 M C 1.912 178.148 176.300 -0.107 0.000 1.309 34 M CA 0.150 55.360 55.300 -0.151 0.000 1.202 34 M CB 0.250 32.751 32.600 -0.165 0.000 1.273 34 M HN -0.082 nan 8.290 nan 0.000 0.528 35 L N 0.567 121.740 121.223 -0.082 0.000 2.046 35 L HA 0.007 4.347 4.340 -0.000 0.000 0.208 35 L C 0.545 177.382 176.870 -0.055 0.000 1.077 35 L CA 1.324 56.126 54.840 -0.062 0.000 0.747 35 L CB 0.248 42.276 42.059 -0.052 0.000 0.896 35 L HN 0.032 nan 8.230 nan 0.000 0.432 36 V N 0.961 120.843 119.914 -0.053 0.000 2.315 36 V HA 0.351 4.471 4.120 -0.000 0.000 0.265 36 V C -2.270 173.797 176.094 -0.046 0.000 1.019 36 V CA -1.427 60.847 62.300 -0.043 0.000 0.824 36 V CB 0.519 32.323 31.823 -0.031 0.000 1.072 36 V HN 0.117 nan 8.190 nan 0.000 0.448 37 P HA 0.295 nan 4.420 nan 0.000 0.272 37 P C -2.615 174.669 177.300 -0.027 0.000 1.240 37 P CA -1.334 61.732 63.100 -0.058 0.000 0.791 37 P CB -0.070 31.583 31.700 -0.079 0.000 0.978 38 P HA -0.003 nan 4.420 nan 0.000 0.268 38 P C 0.788 178.092 177.300 0.006 0.000 1.205 38 P CA 0.100 63.205 63.100 0.008 0.000 0.771 38 P CB 0.220 31.942 31.700 0.036 0.000 0.858 39 E N 0.765 120.968 120.200 0.005 0.000 2.333 39 E HA -0.166 4.184 4.350 -0.000 0.000 0.198 39 E C 0.758 177.368 176.600 0.017 0.000 1.007 39 E CA 1.419 57.822 56.400 0.006 0.000 0.845 39 E CB -0.808 28.892 29.700 -0.001 0.000 0.766 39 E HN 0.474 nan 8.360 nan 0.000 0.507 40 T N -1.616 112.951 114.554 0.022 0.000 3.085 40 T HA -0.025 4.325 4.350 -0.000 0.000 0.263 40 T C 0.285 175.027 174.700 0.070 0.000 1.127 40 T CA 0.157 62.276 62.100 0.033 0.000 1.103 40 T CB -0.184 68.700 68.868 0.026 0.000 0.921 40 T HN -0.036 nan 8.240 nan 0.000 0.510 41 D N 1.653 122.091 120.400 0.063 0.000 2.372 41 D HA 0.319 4.959 4.640 -0.000 0.000 0.243 41 D C -0.161 176.207 176.300 0.114 0.000 1.121 41 D CA 0.357 54.400 54.000 0.072 0.000 0.898 41 D CB 0.354 41.157 40.800 0.004 0.000 1.202 41 D HN 0.386 nan 8.370 nan 0.000 0.428 42 H N -0.055 119.001 119.070 -0.023 0.000 3.094 42 H HA 0.452 5.008 4.556 -0.000 0.000 0.346 42 H C 0.063 175.294 175.328 -0.162 0.000 1.238 42 H CA 0.083 56.080 56.048 -0.085 0.000 1.209 42 H CB 1.417 31.126 29.762 -0.089 0.000 1.911 42 H HN 0.641 nan 8.280 nan 0.000 0.540 43 G N 1.757 110.028 108.800 -0.881 0.000 2.829 43 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.628 43 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.628 43 G C -0.697 174.104 174.900 -0.165 0.000 1.412 43 G CA -0.215 44.456 45.100 -0.715 0.000 0.864 43 G HN 0.644 nan 8.290 nan 0.000 0.544 44 T N 0.515 115.102 114.554 0.054 0.000 2.814 44 T HA 0.499 4.849 4.350 -0.000 0.000 0.297 44 T C 0.396 175.207 174.700 0.185 0.000 0.956 44 T CA 0.097 62.257 62.100 0.101 0.000 1.123 44 T CB 1.227 70.148 68.868 0.088 0.000 0.902 44 T HN 1.095 nan 8.240 nan 0.000 0.528 45 V N 3.019 123.013 119.914 0.132 0.000 2.709 45 V HA 0.360 4.480 4.120 -0.000 0.000 0.308 45 V C 0.350 176.541 176.094 0.161 0.000 1.062 45 V CA -1.053 61.342 62.300 0.158 0.000 0.901 45 V CB 2.303 34.251 31.823 0.209 0.000 1.003 45 V HN 0.926 nan 8.190 nan 0.000 0.425 46 S N 2.643 118.418 115.700 0.125 0.000 2.576 46 S HA 0.067 4.537 4.470 -0.000 0.000 0.272 46 S C 0.319 175.006 174.600 0.144 0.000 1.352 46 S CA -0.022 58.236 58.200 0.096 0.000 1.021 46 S CB 0.102 63.320 63.200 0.031 0.000 0.887 46 S HN 0.860 nan 8.310 nan 0.000 0.542 47 N N 1.214 119.974 118.700 0.101 0.000 2.454 47 N HA 0.028 4.768 4.740 -0.000 0.000 0.260 47 N C 0.064 175.487 175.510 -0.145 0.000 1.218 47 N CA 0.405 53.507 53.050 0.086 0.000 0.904 47 N CB 0.208 38.752 38.487 0.095 0.000 1.065 47 N HN 0.357 nan 8.380 nan 0.000 0.462 48 M N 2.122 121.390 119.600 -0.553 0.000 2.596 48 M HA 0.192 4.672 4.480 -0.000 0.000 0.364 48 M C -0.337 175.743 176.300 -0.367 0.000 1.158 48 M CA 0.080 55.035 55.300 -0.576 0.000 0.940 48 M CB -0.977 31.056 32.600 -0.945 0.000 1.388 48 M HN 0.562 nan 8.290 nan 0.000 0.522 49 K N 0.388 120.673 120.400 -0.192 0.000 2.535 49 K HA 0.548 4.868 4.320 -0.000 0.000 0.251 49 K C -2.249 174.419 176.600 0.113 0.000 0.942 49 K CA -0.310 55.984 56.287 0.010 0.000 0.798 49 K CB 2.554 34.961 32.500 -0.156 0.000 1.267 49 K HN -0.013 nan 8.250 nan 0.000 0.434 50 F N 1.481 121.407 119.950 -0.039 0.000 2.628 50 F HA 0.313 4.842 4.527 0.003 0.000 0.309 50 F C -1.068 174.707 175.800 -0.041 0.000 1.108 50 F CA -0.400 57.566 58.000 -0.057 0.000 0.971 50 F CB 2.335 41.282 39.000 -0.089 0.000 1.279 50 F HN 0.441 nan 8.300 nan 0.000 0.441 51 S N 4.058 119.556 115.700 -0.337 0.000 2.480 51 S HA 0.348 4.818 4.470 -0.000 0.000 0.286 51 S C 0.843 175.495 174.600 0.086 0.000 1.180 51 S CA -0.379 57.779 58.200 -0.071 0.000 1.075 51 S CB 0.479 63.599 63.200 -0.133 0.000 0.996 51 S HN 0.567 nan 8.310 nan 0.000 0.487 52 F N 2.985 123.080 119.950 0.240 0.000 2.250 52 F HA -0.070 4.458 4.527 0.001 0.000 0.301 52 F C 2.675 178.564 175.800 0.148 0.000 1.077 52 F CA 1.215 59.363 58.000 0.247 0.000 1.348 52 F CB -0.287 38.867 39.000 0.256 0.000 1.040 52 F HN 0.538 nan 8.300 nan 0.000 0.509 53 S N -0.953 114.894 115.700 0.245 0.000 2.474 53 S HA -0.140 4.330 4.470 -0.000 0.000 0.235 53 S C 1.101 175.740 174.600 0.066 0.000 0.997 53 S CA 0.982 59.253 58.200 0.118 0.000 0.949 53 S CB -0.246 62.992 63.200 0.064 0.000 0.766 53 S HN 0.318 nan 8.310 nan 0.000 0.517 54 D N 1.903 122.322 120.400 0.032 0.000 2.336 54 D HA 0.087 4.727 4.640 -0.000 0.000 0.228 54 D C 0.599 177.017 176.300 0.197 0.000 1.120 54 D CA 0.231 54.235 54.000 0.007 0.000 0.839 54 D CB 0.233 40.862 40.800 -0.285 0.000 0.932 54 D HN 0.464 nan 8.370 nan 0.000 0.509 55 T N -2.674 112.022 114.554 0.238 0.000 2.912 55 T HA 0.285 4.635 4.350 -0.000 0.000 0.288 55 T C -0.155 174.675 174.700 0.217 0.000 1.030 55 T CA -0.886 61.378 62.100 0.273 0.000 1.020 55 T CB 2.170 71.231 68.868 0.322 0.000 1.056 55 T HN 0.027 nan 8.240 nan 0.000 0.480 56 H N 2.156 121.296 119.070 0.116 0.000 3.004 56 H HA 0.285 4.842 4.556 0.000 0.000 0.316 56 H C -0.059 175.322 175.328 0.089 0.000 1.014 56 H CA 0.284 56.379 56.048 0.079 0.000 1.454 56 H CB 0.307 30.104 29.762 0.059 0.000 1.472 56 H HN 0.557 nan 8.280 nan 0.000 0.571 57 N N 4.095 122.569 118.700 -0.376 0.000 2.437 57 N HA 0.112 4.852 4.740 -0.000 0.000 0.259 57 N C -0.922 174.379 175.510 -0.349 0.000 0.983 57 N CA -0.557 52.341 53.050 -0.253 0.000 0.937 57 N CB 0.553 38.889 38.487 -0.252 0.000 1.122 57 N HN 0.662 nan 8.380 nan 0.000 0.499 58 R N 4.778 125.242 120.500 -0.060 0.000 2.242 58 R HA 0.241 4.580 4.340 -0.000 0.000 0.334 58 R C -0.591 175.781 176.300 0.119 0.000 1.071 58 R CA -0.251 55.877 56.100 0.047 0.000 0.922 58 R CB 0.124 30.508 30.300 0.141 0.000 1.023 58 R HN 0.506 nan 8.270 nan 0.000 0.458 59 L N 4.490 125.760 121.223 0.077 0.000 2.289 59 L HA 0.449 4.788 4.340 -0.000 0.000 0.285 59 L C 0.097 177.050 176.870 0.139 0.000 1.049 59 L CA -0.622 54.293 54.840 0.125 0.000 0.804 59 L CB 1.467 43.565 42.059 0.065 0.000 1.195 59 L HN 0.578 nan 8.230 nan 0.000 0.428 60 E N 2.002 122.306 120.200 0.173 0.000 2.410 60 E HA 0.355 4.705 4.350 -0.000 0.000 0.269 60 E C -1.058 175.628 176.600 0.142 0.000 0.937 60 E CA -1.014 55.487 56.400 0.169 0.000 0.793 60 E CB 1.969 31.813 29.700 0.239 0.000 1.314 60 E HN 0.334 nan 8.360 nan 0.000 0.447 61 K N 0.481 120.962 120.400 0.136 0.000 2.351 61 K HA 0.327 4.647 4.320 -0.000 0.000 0.287 61 K C 0.687 177.359 176.600 0.119 0.000 1.068 61 K CA 0.760 57.118 56.287 0.118 0.000 0.998 61 K CB -0.038 32.532 32.500 0.116 0.000 0.968 61 K HN 0.805 nan 8.250 nan 0.000 0.464 62 G N 1.518 110.371 108.800 0.087 0.000 2.255 62 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.196 62 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.196 62 G C 0.362 175.280 174.900 0.029 0.000 0.998 62 G CA -0.423 44.709 45.100 0.053 0.000 0.656 62 G HN 1.032 nan 8.290 nan 0.000 0.490 63 G N -0.999 107.833 108.800 0.054 0.000 2.441 63 G HA2 0.696 4.656 3.960 -0.000 0.000 0.222 63 G HA3 0.696 4.656 3.960 -0.000 0.000 0.222 63 G C -0.982 173.983 174.900 0.109 0.000 1.254 63 G CA 0.386 45.482 45.100 -0.008 0.000 0.959 63 G HN 1.855 nan 8.290 nan 0.000 0.474 64 Y N -2.089 118.239 120.300 0.046 0.000 2.689 64 Y HA 0.910 5.460 4.550 -0.001 0.000 0.333 64 Y C -0.456 175.481 175.900 0.062 0.000 1.208 64 Y CA -1.389 56.747 58.100 0.060 0.000 1.055 64 Y CB 1.226 39.698 38.460 0.020 0.000 1.304 64 Y HN 1.895 nan 8.280 nan 0.000 0.455 65 A N 2.150 125.213 122.820 0.405 0.000 2.517 65 A HA 0.889 5.208 4.320 -0.000 0.000 0.297 65 A C -1.365 176.408 177.584 0.316 0.000 1.050 65 A CA -1.068 51.166 52.037 0.327 0.000 0.694 65 A CB 1.709 20.917 19.000 0.348 0.000 1.277 65 A HN 1.053 nan 8.150 nan 0.000 0.400 66 R N 1.244 121.928 120.500 0.306 0.000 2.808 66 R HA 0.809 5.149 4.340 -0.000 0.000 0.272 66 R C -1.048 175.543 176.300 0.485 0.000 0.995 66 R CA -0.760 55.547 56.100 0.346 0.000 0.917 66 R CB 1.912 32.405 30.300 0.322 0.000 1.217 66 R HN 0.821 nan 8.270 nan 0.000 0.471 67 E N 0.857 121.342 120.200 0.475 0.000 2.340 67 E HA 0.485 4.835 4.350 -0.000 0.000 0.273 67 E C -1.429 175.309 176.600 0.231 0.000 0.891 67 E CA -1.177 55.499 56.400 0.459 0.000 0.757 67 E CB 2.621 32.540 29.700 0.366 0.000 1.231 67 E HN 0.264 nan 8.360 nan 0.000 0.439 68 V N 2.174 122.151 119.914 0.105 0.000 2.376 68 V HA 0.437 4.557 4.120 -0.000 0.000 0.287 68 V C 0.026 176.135 176.094 0.025 0.000 1.015 68 V CA -0.090 62.149 62.300 -0.101 0.000 0.834 68 V CB 0.977 32.607 31.823 -0.322 0.000 1.001 68 V HN 0.936 nan 8.190 nan 0.000 0.428 69 T N 1.027 115.552 114.554 -0.048 0.000 2.773 69 T HA 0.401 4.751 4.350 -0.000 0.000 0.278 69 T C 0.957 175.597 174.700 -0.100 0.000 1.011 69 T CA -0.089 62.006 62.100 -0.008 0.000 1.014 69 T CB 1.710 70.599 68.868 0.034 0.000 1.293 69 T HN 0.114 nan 8.240 nan 0.000 0.554 70 V N 0.887 120.756 119.914 -0.076 0.000 2.688 70 V HA -0.080 4.040 4.120 -0.000 0.000 0.256 70 V C 2.571 178.582 176.094 -0.137 0.000 1.084 70 V CA 1.735 63.966 62.300 -0.115 0.000 1.103 70 V CB -0.958 30.814 31.823 -0.084 0.000 0.688 70 V HN 0.798 nan 8.190 nan 0.000 0.480 71 R N -0.667 119.754 120.500 -0.131 0.000 2.235 71 R HA -0.059 4.281 4.340 -0.000 0.000 0.213 71 R C 1.915 178.091 176.300 -0.207 0.000 1.059 71 R CA 1.250 57.269 56.100 -0.135 0.000 0.997 71 R CB 0.043 30.282 30.300 -0.103 0.000 0.884 71 R HN 0.499 nan 8.270 nan 0.000 0.462 72 E N -0.318 119.676 120.200 -0.343 0.000 2.256 72 E HA 0.081 4.431 4.350 -0.000 0.000 0.198 72 E C -0.380 175.818 176.600 -0.670 0.000 0.908 72 E CA 0.368 56.344 56.400 -0.707 0.000 0.915 72 E CB 0.486 29.496 29.700 -1.151 0.000 0.890 72 E HN -0.072 nan 8.360 nan 0.000 0.484 73 L N 2.365 123.324 121.223 -0.441 0.000 2.433 73 L HA 0.365 4.705 4.340 -0.000 0.000 0.256 73 L C -2.324 174.408 176.870 -0.231 0.000 1.063 73 L CA -1.839 52.835 54.840 -0.277 0.000 0.922 73 L CB 1.411 43.333 42.059 -0.228 0.000 1.238 73 L HN -0.118 nan 8.230 nan 0.000 0.466 74 P HA -0.122 nan 4.420 nan 0.000 0.223 74 P C 1.628 178.801 177.300 -0.211 0.000 1.151 74 P CA 0.650 63.650 63.100 -0.167 0.000 0.787 74 P CB 0.486 32.118 31.700 -0.113 0.000 0.788 75 I N 0.223 120.632 120.570 -0.267 0.000 2.335 75 I HA -0.122 4.048 4.170 -0.000 0.000 0.251 75 I C 1.118 176.822 176.117 -0.689 0.000 1.129 75 I CA 1.242 62.316 61.300 -0.376 0.000 1.402 75 I CB -0.647 37.156 38.000 -0.329 0.000 1.069 75 I HN -0.171 nan 8.210 nan 0.000 0.424 76 S N 0.671 115.930 115.700 -0.735 0.000 3.729 76 S HA 0.156 4.625 4.470 -0.000 0.000 0.235 76 S C 1.113 175.553 174.600 -0.267 0.000 1.367 76 S CA -0.398 57.368 58.200 -0.723 0.000 0.907 76 S CB -0.466 62.496 63.200 -0.397 0.000 1.471 76 S HN 0.393 nan 8.310 nan 0.000 0.476 77 E N 1.907 121.974 120.200 -0.220 0.000 2.299 77 E HA -0.067 4.283 4.350 -0.000 0.000 0.193 77 E C 1.402 177.982 176.600 -0.033 0.000 0.998 77 E CA 0.462 56.799 56.400 -0.104 0.000 0.851 77 E CB 0.083 29.731 29.700 -0.086 0.000 0.795 77 E HN 0.756 nan 8.360 nan 0.000 0.492 78 N N 0.341 119.040 118.700 -0.001 0.000 2.254 78 N HA 0.031 4.770 4.740 -0.000 0.000 0.190 78 N C 0.126 175.653 175.510 0.027 0.000 1.107 78 N CA 0.181 53.258 53.050 0.045 0.000 0.869 78 N CB 0.560 39.108 38.487 0.101 0.000 0.983 78 N HN 0.026 nan 8.380 nan 0.000 0.487 79 L N 0.279 121.502 121.223 -0.000 0.000 2.455 79 L HA 0.788 5.128 4.340 -0.000 0.000 0.264 79 L C -0.985 175.791 176.870 -0.156 0.000 0.968 79 L CA -0.904 53.849 54.840 -0.144 0.000 0.827 79 L CB 2.253 44.136 42.059 -0.294 0.000 1.317 79 L HN 0.079 nan 8.230 nan 0.000 0.407 80 A N 1.644 124.361 122.820 -0.172 0.000 2.527 80 A HA 0.931 5.250 4.320 -0.000 0.000 0.293 80 A C -1.123 176.402 177.584 -0.097 0.000 1.117 80 A CA -0.569 51.450 52.037 -0.031 0.000 0.723 80 A CB 2.269 21.337 19.000 0.114 0.000 1.313 80 A HN 0.501 nan 8.150 nan 0.000 0.411 81 S N -0.711 115.053 115.700 0.107 0.000 2.546 81 S HA 0.683 5.152 4.470 -0.000 0.000 0.274 81 S C -1.651 173.185 174.600 0.393 0.000 1.121 81 S CA -0.375 57.920 58.200 0.158 0.000 0.887 81 S CB 1.565 64.957 63.200 0.320 0.000 1.094 81 S HN 1.153 nan 8.310 nan 0.000 0.474 82 V N 4.260 124.369 119.914 0.326 0.000 2.604 82 V HA 0.508 4.628 4.120 -0.000 0.000 0.305 82 V C -0.062 176.076 176.094 0.074 0.000 1.043 82 V CA -0.948 61.557 62.300 0.342 0.000 0.888 82 V CB 1.748 33.798 31.823 0.379 0.000 0.995 82 V HN 0.909 nan 8.190 nan 0.000 0.429 83 N N 5.041 123.660 118.700 -0.136 0.000 2.439 83 N HA 0.550 5.290 4.740 -0.000 0.000 0.249 83 N C -0.779 174.599 175.510 -0.219 0.000 1.003 83 N CA -0.437 52.364 53.050 -0.415 0.000 0.942 83 N CB 0.845 38.795 38.487 -0.894 0.000 1.115 83 N HN 0.738 nan 8.380 nan 0.000 0.505 84 M N 3.288 122.619 119.600 -0.448 0.000 2.465 84 M HA 0.416 4.896 4.480 -0.000 0.000 0.316 84 M C -1.208 174.557 176.300 -0.891 0.000 1.121 84 M CA -0.845 54.123 55.300 -0.552 0.000 0.934 84 M CB 1.592 33.886 32.600 -0.509 0.000 1.692 84 M HN 0.507 nan 8.290 nan 0.000 0.444 85 R N 4.315 124.346 120.500 -0.781 0.000 2.561 85 R HA 0.760 5.100 4.340 -0.000 0.000 0.297 85 R C -2.420 173.629 176.300 -0.418 0.000 0.969 85 R CA -0.316 55.340 56.100 -0.741 0.000 0.879 85 R CB 1.408 30.888 30.300 -1.367 0.000 1.178 85 R HN 0.815 nan 8.270 nan 0.000 0.445 86 L N 4.020 125.149 121.223 -0.157 0.000 2.386 86 L HA 0.558 4.898 4.340 -0.000 0.000 0.271 86 L C -0.053 176.819 176.870 0.004 0.000 0.993 86 L CA -1.057 53.766 54.840 -0.029 0.000 0.819 86 L CB 2.257 44.373 42.059 0.095 0.000 1.294 86 L HN 0.592 nan 8.230 nan 0.000 0.414 87 K N 2.357 122.756 120.400 -0.002 0.000 2.120 87 K HA 0.296 4.615 4.320 -0.000 0.000 0.245 87 K C -2.370 174.247 176.600 0.027 0.000 1.024 87 K CA -1.549 54.752 56.287 0.023 0.000 0.906 87 K CB 0.190 32.703 32.500 0.022 0.000 1.051 87 K HN 0.240 nan 8.250 nan 0.000 0.491 88 P HA -0.081 nan 4.420 nan 0.000 0.261 88 P C 0.464 177.763 177.300 -0.002 0.000 1.183 88 P CA 1.033 64.146 63.100 0.022 0.000 0.761 88 P CB 0.373 32.090 31.700 0.028 0.000 0.785 89 G N 2.205 110.994 108.800 -0.018 0.000 2.245 89 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.264 89 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.264 89 G C 0.515 175.362 174.900 -0.088 0.000 0.985 89 G CA 0.129 45.202 45.100 -0.045 0.000 0.625 89 G HN 0.865 nan 8.290 nan 0.000 0.536 90 A N -0.131 122.642 122.820 -0.078 0.000 2.445 90 A HA 0.673 4.992 4.320 -0.000 0.000 0.242 90 A C 0.288 177.748 177.584 -0.207 0.000 1.075 90 A CA 0.343 52.299 52.037 -0.136 0.000 0.777 90 A CB 0.325 19.285 19.000 -0.066 0.000 1.013 90 A HN 0.830 nan 8.150 nan 0.000 0.493 91 I N 1.245 121.563 120.570 -0.419 0.000 2.406 91 I HA 0.329 4.499 4.170 -0.000 0.000 0.290 91 I C 0.203 176.136 176.117 -0.306 0.000 0.999 91 I CA -0.753 60.266 61.300 -0.470 0.000 1.124 91 I CB 1.811 39.273 38.000 -0.897 0.000 1.289 91 I HN 0.702 nan 8.210 nan 0.000 0.441 92 R N 6.261 126.704 120.500 -0.096 0.000 2.248 92 R HA 0.120 4.459 4.340 -0.000 0.000 0.337 92 R C 0.010 176.367 176.300 0.094 0.000 1.085 92 R CA -0.196 55.893 56.100 -0.017 0.000 0.934 92 R CB 0.201 30.554 30.300 0.090 0.000 1.034 92 R HN 0.586 nan 8.270 nan 0.000 0.465 93 E N 4.162 124.464 120.200 0.169 0.000 2.502 93 E HA -0.099 4.250 4.350 -0.000 0.000 0.261 93 E C -0.425 176.376 176.600 0.335 0.000 0.974 93 E CA -0.122 56.478 56.400 0.333 0.000 0.936 93 E CB 0.499 30.404 29.700 0.343 0.000 0.926 93 E HN 0.597 nan 8.360 nan 0.000 0.459 94 L N 6.129 127.504 121.223 0.254 0.000 2.747 94 L HA -0.122 4.218 4.340 -0.000 0.000 0.286 94 L C 0.509 177.526 176.870 0.245 0.000 1.216 94 L CA 0.924 55.861 54.840 0.161 0.000 0.930 94 L CB -0.439 41.701 42.059 0.135 0.000 1.216 94 L HN 0.610 nan 8.230 nan 0.000 0.486 95 H N 2.262 121.337 119.070 0.008 0.000 2.932 95 H HA 0.467 5.023 4.556 -0.001 0.000 0.307 95 H C -1.544 173.752 175.328 -0.053 0.000 1.391 95 H CA -1.139 54.939 56.048 0.049 0.000 1.130 95 H CB 0.986 30.749 29.762 0.002 0.000 1.836 95 H HN 0.593 nan 8.280 nan 0.000 0.522 96 W N 0.489 121.668 121.300 -0.203 0.000 3.042 96 W HA 0.661 5.321 4.660 -0.001 0.000 0.342 96 W C -1.866 174.652 176.519 -0.002 0.000 1.240 96 W CA -0.965 56.156 57.345 -0.373 0.000 1.166 96 W CB 0.916 30.206 29.460 -0.283 0.000 1.469 96 W HN 1.036 nan 8.180 nan 0.000 0.579 97 H N -1.929 117.392 119.070 0.418 0.000 2.981 97 H HA 0.443 4.999 4.556 -0.000 0.000 0.327 97 H C 0.237 175.791 175.328 0.377 0.000 1.342 97 H CA -1.341 54.937 56.048 0.383 0.000 1.123 97 H CB 1.212 31.184 29.762 0.349 0.000 1.851 97 H HN 0.441 nan 8.280 nan 0.000 0.531 98 K N -0.191 120.504 120.400 0.491 0.000 2.097 98 K HA -0.079 4.241 4.320 -0.000 0.000 0.206 98 K C -0.288 176.525 176.600 0.354 0.000 1.049 98 K CA 1.558 58.053 56.287 0.346 0.000 0.933 98 K CB -0.096 32.560 32.500 0.259 0.000 0.717 98 K HN 0.536 nan 8.250 nan 0.000 0.442 99 E N 0.558 121.015 120.200 0.429 0.000 2.354 99 E HA 0.194 4.544 4.350 -0.000 0.000 0.269 99 E C -0.599 176.280 176.600 0.464 0.000 1.036 99 E CA -0.233 56.397 56.400 0.383 0.000 0.876 99 E CB 0.926 30.835 29.700 0.348 0.000 1.009 99 E HN 0.204 nan 8.360 nan 0.000 0.416 100 A N 2.825 125.811 122.820 0.278 0.000 2.425 100 A HA 0.202 4.522 4.320 -0.000 0.000 0.242 100 A C -0.015 177.633 177.584 0.106 0.000 1.077 100 A CA -0.125 51.979 52.037 0.111 0.000 0.781 100 A CB 0.307 19.300 19.000 -0.011 0.000 1.020 100 A HN 0.677 nan 8.150 nan 0.000 0.494 101 E N 0.974 121.136 120.200 -0.064 0.000 2.224 101 E HA 0.436 4.786 4.350 -0.000 0.000 0.265 101 E C -1.665 174.789 176.600 -0.244 0.000 0.878 101 E CA -0.498 55.834 56.400 -0.114 0.000 0.759 101 E CB 1.098 30.937 29.700 0.231 0.000 1.164 101 E HN 0.686 nan 8.360 nan 0.000 0.414 102 W N 4.070 125.123 121.300 -0.411 0.000 2.689 102 W HA 0.722 5.383 4.660 0.001 0.000 0.340 102 W C -1.549 174.659 176.519 -0.518 0.000 1.060 102 W CA -0.394 56.779 57.345 -0.286 0.000 1.218 102 W CB 1.767 31.172 29.460 -0.092 0.000 1.410 102 W HN 0.594 nan 8.180 nan 0.000 0.528 103 A N 4.296 126.318 122.820 -1.329 0.000 2.515 103 A HA 0.625 4.944 4.320 -0.000 0.000 0.298 103 A C -2.608 174.049 177.584 -1.545 0.000 1.059 103 A CA -0.592 50.571 52.037 -1.458 0.000 0.698 103 A CB 1.311 18.836 19.000 -2.459 0.000 1.289 103 A HN 0.746 nan 8.150 nan 0.000 0.404 104 Y N 1.760 121.464 120.300 -0.994 0.000 2.331 104 Y HA 0.615 5.164 4.550 -0.001 0.000 0.334 104 Y C -0.377 175.326 175.900 -0.329 0.000 0.960 104 Y CA -1.016 56.718 58.100 -0.610 0.000 1.130 104 Y CB 1.919 40.250 38.460 -0.215 0.000 1.164 104 Y HN 0.688 nan 8.280 nan 0.000 0.458 105 M N 7.806 126.912 119.600 -0.824 0.000 2.135 105 M HA 0.331 4.810 4.480 -0.000 0.000 0.345 105 M C -0.666 175.350 176.300 -0.474 0.000 1.340 105 M CA 0.613 55.638 55.300 -0.458 0.000 1.162 105 M CB -0.145 32.232 32.600 -0.372 0.000 1.570 105 M HN 0.820 nan 8.290 nan 0.000 0.454 106 I N 3.913 124.435 120.570 -0.080 0.000 2.494 106 I HA 0.009 4.179 4.170 -0.000 0.000 0.250 106 I C -0.119 176.079 176.117 0.135 0.000 1.112 106 I CA 0.432 61.800 61.300 0.114 0.000 1.438 106 I CB 0.004 38.164 38.000 0.267 0.000 1.111 106 I HN 0.617 nan 8.210 nan 0.000 0.431 107 Y N 0.980 121.292 120.300 0.021 0.000 2.457 107 Y HA 0.576 5.125 4.550 -0.001 0.000 0.343 107 Y C 0.304 176.220 175.900 0.027 0.000 0.994 107 Y CA -0.256 57.859 58.100 0.025 0.000 1.031 107 Y CB 1.238 39.721 38.460 0.038 0.000 1.246 107 Y HN 0.250 nan 8.280 nan 0.000 0.449 108 G N 2.869 111.070 108.800 -0.999 0.000 2.512 108 G HA2 0.177 4.137 3.960 -0.000 0.000 0.254 108 G HA3 0.177 4.137 3.960 -0.000 0.000 0.254 108 G C -0.672 174.043 174.900 -0.308 0.000 1.199 108 G CA -0.015 44.622 45.100 -0.771 0.000 0.941 108 G HN 1.890 nan 8.290 nan 0.000 0.569 109 S N -1.383 114.214 115.700 -0.171 0.000 2.567 109 S HA 0.975 5.445 4.470 -0.000 0.000 0.270 109 S C -0.523 174.050 174.600 -0.046 0.000 1.152 109 S CA 0.486 58.625 58.200 -0.101 0.000 0.835 109 S CB 1.370 64.503 63.200 -0.111 0.000 1.115 109 S HN 2.736 nan 8.310 nan 0.000 0.459 110 A N 0.891 123.684 122.820 -0.045 0.000 2.612 110 A HA 0.855 5.174 4.320 -0.000 0.000 0.293 110 A C -1.033 176.502 177.584 -0.082 0.000 1.075 110 A CA -0.879 51.126 52.037 -0.054 0.000 0.680 110 A CB 1.599 20.559 19.000 -0.066 0.000 1.279 110 A HN 1.016 nan 8.150 nan 0.000 0.411 111 R N 0.553 120.991 120.500 -0.103 0.000 2.346 111 R HA 0.647 4.987 4.340 -0.000 0.000 0.311 111 R C -0.679 175.518 176.300 -0.171 0.000 0.983 111 R CA -0.326 55.703 56.100 -0.118 0.000 0.880 111 R CB 1.232 31.470 30.300 -0.103 0.000 1.100 111 R HN 1.073 nan 8.270 nan 0.000 0.453 112 V N 0.631 120.440 119.914 -0.176 0.000 2.715 112 V HA 0.739 4.859 4.120 -0.000 0.000 0.310 112 V C -0.316 175.692 176.094 -0.144 0.000 1.054 112 V CA -0.626 61.544 62.300 -0.217 0.000 0.928 112 V CB 1.718 33.374 31.823 -0.279 0.000 1.007 112 V HN 0.924 nan 8.190 nan 0.000 0.437 113 T N 1.904 116.347 114.554 -0.184 0.000 2.887 113 T HA 0.823 5.173 4.350 -0.000 0.000 0.288 113 T C -0.805 173.722 174.700 -0.289 0.000 1.021 113 T CA -0.568 61.434 62.100 -0.164 0.000 1.000 113 T CB 1.756 70.543 68.868 -0.135 0.000 1.034 113 T HN 1.224 nan 8.240 nan 0.000 0.467 114 I N 1.898 122.330 120.570 -0.231 0.000 2.752 114 I HA 0.667 4.837 4.170 -0.000 0.000 0.295 114 I C -1.809 174.179 176.117 -0.215 0.000 1.219 114 I CA -1.103 59.961 61.300 -0.392 0.000 1.030 114 I CB 2.080 39.610 38.000 -0.783 0.000 1.259 114 I HN 0.637 nan 8.210 nan 0.000 0.423 115 V N 5.928 125.717 119.914 -0.209 0.000 2.540 115 V HA 0.390 4.510 4.120 -0.000 0.000 0.302 115 V C -0.634 175.388 176.094 -0.120 0.000 1.035 115 V CA -0.574 61.659 62.300 -0.111 0.000 0.873 115 V CB 1.764 33.537 31.823 -0.084 0.000 0.992 115 V HN 0.841 nan 8.190 nan 0.000 0.428 116 D N 3.419 123.793 120.400 -0.043 0.000 2.478 116 D HA 0.121 4.761 4.640 -0.000 0.000 0.269 116 D C 1.086 177.373 176.300 -0.021 0.000 1.232 116 D CA -0.492 53.501 54.000 -0.012 0.000 1.059 116 D CB 0.593 41.455 40.800 0.104 0.000 1.104 116 D HN 0.556 nan 8.370 nan 0.000 0.566 117 E N -0.225 119.971 120.200 -0.006 0.000 2.478 117 E HA -0.152 4.198 4.350 -0.000 0.000 0.198 117 E C 0.395 176.990 176.600 -0.008 0.000 1.046 117 E CA 0.690 57.077 56.400 -0.022 0.000 0.870 117 E CB -0.211 29.480 29.700 -0.014 0.000 0.818 117 E HN 0.377 nan 8.360 nan 0.000 0.527 118 K N 0.310 120.717 120.400 0.013 0.000 2.397 118 K HA 0.163 4.483 4.320 -0.000 0.000 0.202 118 K C 0.804 177.410 176.600 0.010 0.000 1.022 118 K CA 0.407 56.702 56.287 0.014 0.000 1.141 118 K CB 0.688 33.205 32.500 0.028 0.000 0.857 118 K HN 0.286 nan 8.250 nan 0.000 0.514 119 G N 2.569 111.369 108.800 0.001 0.000 2.176 119 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.252 119 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.252 119 G C -0.235 174.675 174.900 0.016 0.000 1.024 119 G CA 0.098 45.197 45.100 -0.001 0.000 0.755 119 G HN 0.309 nan 8.290 nan 0.000 0.507 120 R N 0.338 120.861 120.500 0.039 0.000 2.368 120 R HA 0.596 4.936 4.340 -0.000 0.000 0.302 120 R C 0.504 176.855 176.300 0.086 0.000 1.002 120 R CA 0.235 56.375 56.100 0.067 0.000 0.929 120 R CB 1.458 31.814 30.300 0.093 0.000 1.073 120 R HN 0.459 nan 8.270 nan 0.000 0.464 121 S N 2.351 118.107 115.700 0.093 0.000 2.578 121 S HA 0.612 5.082 4.470 -0.000 0.000 0.301 121 S C -0.859 173.865 174.600 0.205 0.000 1.091 121 S CA -0.760 57.499 58.200 0.098 0.000 1.032 121 S CB 1.333 64.550 63.200 0.029 0.000 1.064 121 S HN 0.545 nan 8.310 nan 0.000 0.508 122 F N 2.002 121.976 119.950 0.040 0.000 2.557 122 F HA 0.720 5.247 4.527 0.000 0.000 0.316 122 F C -1.512 174.306 175.800 0.031 0.000 1.141 122 F CA -0.895 57.167 58.000 0.104 0.000 0.922 122 F CB 1.166 40.349 39.000 0.305 0.000 1.194 122 F HN 0.631 nan 8.300 nan 0.000 0.443 123 I N 5.318 125.579 120.570 -0.516 0.000 2.533 123 I HA 0.434 4.604 4.170 -0.000 0.000 0.290 123 I C -1.542 174.240 176.117 -0.559 0.000 1.056 123 I CA -0.575 60.499 61.300 -0.377 0.000 1.057 123 I CB 2.118 39.994 38.000 -0.207 0.000 1.240 123 I HN 0.518 nan 8.210 nan 0.000 0.423 124 D N 3.588 123.771 120.400 -0.362 0.000 2.623 124 D HA 0.356 4.996 4.640 -0.000 0.000 0.241 124 D C -1.734 174.501 176.300 -0.109 0.000 1.241 124 D CA -0.355 53.488 54.000 -0.263 0.000 0.788 124 D CB 2.390 43.056 40.800 -0.223 0.000 1.413 124 D HN 0.265 nan 8.370 nan 0.000 0.429 125 D N 0.332 120.683 120.400 -0.082 0.000 2.175 125 D HA 0.496 5.136 4.640 -0.000 0.000 0.248 125 D C -0.566 175.718 176.300 -0.028 0.000 1.047 125 D CA -0.224 53.741 54.000 -0.059 0.000 0.883 125 D CB 1.947 42.706 40.800 -0.068 0.000 1.180 125 D HN -0.008 nan 8.370 nan 0.000 0.438 126 V N 1.434 121.335 119.914 -0.022 0.000 2.531 126 V HA 0.718 4.838 4.120 -0.000 0.000 0.301 126 V C 0.663 176.716 176.094 -0.068 0.000 1.034 126 V CA -0.569 61.724 62.300 -0.012 0.000 0.865 126 V CB 1.855 33.740 31.823 0.103 0.000 0.995 126 V HN 0.620 nan 8.190 nan 0.000 0.424 127 G N 2.812 111.545 108.800 -0.111 0.000 2.820 127 G HA2 0.585 4.544 3.960 -0.000 0.000 0.291 127 G HA3 0.585 4.544 3.960 -0.000 0.000 0.291 127 G C -0.585 174.195 174.900 -0.201 0.000 1.323 127 G CA -0.697 44.317 45.100 -0.144 0.000 1.055 127 G HN 0.659 nan 8.290 nan 0.000 0.520 128 E N -0.488 119.590 120.200 -0.204 0.000 2.480 128 E HA 0.326 4.676 4.350 -0.000 0.000 0.258 128 E C 1.137 177.574 176.600 -0.272 0.000 0.984 128 E CA 1.277 57.535 56.400 -0.236 0.000 0.930 128 E CB 0.525 30.132 29.700 -0.154 0.000 0.936 128 E HN 1.050 nan 8.360 nan 0.000 0.466 129 G N 3.148 111.674 108.800 -0.458 0.000 2.176 129 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.253 129 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.253 129 G C -0.146 174.539 174.900 -0.359 0.000 0.979 129 G CA 0.015 44.880 45.100 -0.391 0.000 0.641 129 G HN 0.552 nan 8.290 nan 0.000 0.530 130 D N 0.235 120.398 120.400 -0.394 0.000 2.294 130 D HA 0.689 5.329 4.640 -0.000 0.000 0.250 130 D C 0.907 176.971 176.300 -0.392 0.000 1.058 130 D CA -0.106 53.714 54.000 -0.300 0.000 0.950 130 D CB 1.265 41.938 40.800 -0.211 0.000 1.158 130 D HN 0.312 nan 8.370 nan 0.000 0.453 131 L N 0.302 121.336 121.223 -0.316 0.000 2.319 131 L HA 0.667 5.006 4.340 -0.000 0.000 0.267 131 L C -0.709 176.021 176.870 -0.233 0.000 1.011 131 L CA -1.169 53.397 54.840 -0.458 0.000 0.818 131 L CB 1.306 43.141 42.059 -0.373 0.000 1.316 131 L HN 0.505 nan 8.230 nan 0.000 0.432 132 W N 0.870 121.940 121.300 -0.383 0.000 2.902 132 W HA 0.712 5.371 4.660 -0.001 0.000 0.346 132 W C -1.865 174.530 176.519 -0.207 0.000 1.139 132 W CA -1.478 55.734 57.345 -0.222 0.000 1.139 132 W CB 0.644 29.828 29.460 -0.459 0.000 1.439 132 W HN 0.342 nan 8.180 nan 0.000 0.558 133 Y N 2.443 122.819 120.300 0.126 0.000 2.401 133 Y HA 0.578 5.127 4.550 -0.001 0.000 0.330 133 Y C -2.068 173.925 175.900 0.156 0.000 1.071 133 Y CA -1.848 56.247 58.100 -0.008 0.000 1.049 133 Y CB 1.090 39.465 38.460 -0.141 0.000 1.239 133 Y HN 0.353 nan 8.280 nan 0.000 0.437 134 F N 7.392 127.208 119.950 -0.224 0.000 2.427 134 F HA 0.538 5.064 4.527 -0.001 0.000 0.348 134 F C -2.315 173.265 175.800 -0.366 0.000 1.125 134 F CA -3.470 54.377 58.000 -0.255 0.000 0.989 134 F CB 1.164 39.892 39.000 -0.454 0.000 1.165 134 F HN 0.346 nan 8.300 nan 0.000 0.442 135 P HA 0.048 nan 4.420 nan 0.000 0.268 135 P C -0.289 177.089 177.300 0.129 0.000 1.208 135 P CA -0.279 62.906 63.100 0.142 0.000 0.777 135 P CB 0.413 32.291 31.700 0.297 0.000 0.875 136 S N 0.982 116.778 115.700 0.159 0.000 2.593 136 S HA 0.217 4.687 4.470 -0.000 0.000 0.300 136 S C 1.437 176.136 174.600 0.165 0.000 1.267 136 S CA 0.274 58.595 58.200 0.201 0.000 1.065 136 S CB -1.001 62.312 63.200 0.189 0.000 0.807 136 S HN 1.033 nan 8.310 nan 0.000 0.499 137 G N 2.083 111.003 108.800 0.201 0.000 2.189 137 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.267 137 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.267 137 G C -0.009 174.905 174.900 0.022 0.000 0.975 137 G CA 0.380 45.568 45.100 0.147 0.000 0.644 137 G HN 0.802 nan 8.290 nan 0.000 0.537 138 L N 2.448 123.685 121.223 0.023 0.000 2.305 138 L HA 0.407 4.746 4.340 -0.000 0.000 0.281 138 L C -1.596 175.229 176.870 -0.075 0.000 1.085 138 L CA -2.039 52.754 54.840 -0.078 0.000 0.813 138 L CB 1.192 43.184 42.059 -0.111 0.000 1.157 138 L HN -0.018 nan 8.230 nan 0.000 0.436 139 P HA 0.236 nan 4.420 nan 0.000 0.279 139 P C -1.324 175.768 177.300 -0.347 0.000 1.239 139 P CA 0.045 62.997 63.100 -0.247 0.000 0.789 139 P CB 1.079 32.656 31.700 -0.205 0.000 0.933 140 H N -0.546 118.226 119.070 -0.497 0.000 2.990 140 H HA 0.675 5.231 4.556 -0.001 0.000 0.336 140 H C -1.310 173.758 175.328 -0.433 0.000 1.306 140 H CA -0.966 54.694 56.048 -0.647 0.000 1.118 140 H CB 1.178 30.190 29.762 -1.249 0.000 1.856 140 H HN 0.508 nan 8.280 nan 0.000 0.538 141 S N 0.429 116.004 115.700 -0.208 0.000 2.607 141 S HA 0.744 5.214 4.470 -0.000 0.000 0.273 141 S C -1.148 173.402 174.600 -0.084 0.000 1.148 141 S CA -0.883 57.281 58.200 -0.060 0.000 0.833 141 S CB 1.874 65.045 63.200 -0.047 0.000 1.130 141 S HN 0.592 nan 8.310 nan 0.000 0.470 142 I N 0.842 121.394 120.570 -0.030 0.000 2.619 142 I HA 0.544 4.714 4.170 -0.000 0.000 0.292 142 I C -0.824 175.248 176.117 -0.075 0.000 1.100 142 I CA -0.401 60.828 61.300 -0.117 0.000 1.043 142 I CB 2.297 40.256 38.000 -0.069 0.000 1.239 142 I HN 0.770 nan 8.210 nan 0.000 0.420 143 Q N 4.450 124.190 119.800 -0.100 0.000 2.275 143 Q HA 0.719 5.059 4.340 -0.000 0.000 0.266 143 Q C -1.144 174.823 176.000 -0.056 0.000 1.002 143 Q CA -0.673 55.077 55.803 -0.088 0.000 0.761 143 Q CB 2.196 30.869 28.738 -0.107 0.000 1.255 143 Q HN 0.841 nan 8.270 nan 0.000 0.446 144 A N 4.424 127.234 122.820 -0.016 0.000 2.425 144 A HA 0.405 4.725 4.320 -0.000 0.000 0.249 144 A C -0.205 177.369 177.584 -0.017 0.000 1.084 144 A CA -0.210 51.836 52.037 0.015 0.000 0.781 144 A CB 0.281 19.317 19.000 0.060 0.000 1.019 144 A HN 0.852 nan 8.150 nan 0.000 0.490 145 L N 0.738 121.948 121.223 -0.021 0.000 2.985 145 L HA 0.266 4.605 4.340 -0.000 0.000 0.201 145 L C 2.155 179.015 176.870 -0.016 0.000 1.291 145 L CA -0.535 54.287 54.840 -0.030 0.000 1.141 145 L CB -0.080 41.952 42.059 -0.045 0.000 2.131 145 L HN 0.941 nan 8.230 nan 0.000 0.538 146 E N 0.048 120.236 120.200 -0.020 0.000 2.268 146 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 146 E C 1.123 177.730 176.600 0.012 0.000 0.995 146 E CA 1.247 57.644 56.400 -0.005 0.000 0.836 146 E CB -0.182 29.512 29.700 -0.009 0.000 0.763 146 E HN 0.486 nan 8.360 nan 0.000 0.491 147 E N 1.082 121.280 120.200 -0.003 0.000 2.478 147 E HA 0.146 4.495 4.350 -0.000 0.000 0.194 147 E C 1.043 177.719 176.600 0.127 0.000 1.045 147 E CA 0.704 57.121 56.400 0.029 0.000 0.868 147 E CB 0.152 29.789 29.700 -0.104 0.000 0.885 147 E HN 0.412 nan 8.360 nan 0.000 0.505 148 G N 1.058 109.911 108.800 0.089 0.000 2.698 148 G HA2 -0.016 3.943 3.960 -0.000 0.000 0.233 148 G HA3 -0.016 3.943 3.960 -0.000 0.000 0.233 148 G C -0.444 174.549 174.900 0.156 0.000 1.352 148 G CA -0.288 44.896 45.100 0.140 0.000 0.879 148 G HN 0.588 nan 8.290 nan 0.000 0.567 149 A N -0.599 122.367 122.820 0.242 0.000 2.589 149 A HA 0.846 5.166 4.320 -0.000 0.000 0.296 149 A C -0.611 177.162 177.584 0.315 0.000 1.062 149 A CA 0.782 52.997 52.037 0.296 0.000 0.686 149 A CB 1.923 21.117 19.000 0.324 0.000 1.282 149 A HN 1.509 nan 8.150 nan 0.000 0.404 150 E N 0.866 121.272 120.200 0.343 0.000 2.278 150 E HA 0.697 5.047 4.350 -0.000 0.000 0.272 150 E C -1.622 175.041 176.600 0.104 0.000 0.890 150 E CA -0.495 55.925 56.400 0.033 0.000 0.770 150 E CB 1.304 31.005 29.700 0.001 0.000 1.212 150 E HN 0.804 nan 8.360 nan 0.000 0.415 151 F N 1.987 121.913 119.950 -0.040 0.000 2.645 151 F HA 0.610 5.136 4.527 -0.001 0.000 0.310 151 F C -1.838 173.875 175.800 -0.146 0.000 1.102 151 F CA -1.364 56.567 58.000 -0.114 0.000 0.952 151 F CB 0.827 39.710 39.000 -0.195 0.000 1.326 151 F HN 0.298 nan 8.300 nan 0.000 0.456 152 L N 2.912 124.143 121.223 0.014 0.000 2.296 152 L HA 0.684 5.023 4.340 -0.000 0.000 0.286 152 L C -1.371 175.469 176.870 -0.050 0.000 1.023 152 L CA -0.455 54.335 54.840 -0.083 0.000 0.812 152 L CB 1.322 43.325 42.059 -0.095 0.000 1.223 152 L HN 0.700 nan 8.230 nan 0.000 0.421 153 L N 5.687 126.864 121.223 -0.076 0.000 2.317 153 L HA 0.683 5.022 4.340 -0.000 0.000 0.281 153 L C -0.878 175.733 176.870 -0.431 0.000 1.024 153 L CA -0.924 53.758 54.840 -0.264 0.000 0.810 153 L CB 1.926 43.858 42.059 -0.212 0.000 1.240 153 L HN 0.310 nan 8.230 nan 0.000 0.427 154 V N 2.809 122.391 119.914 -0.552 0.000 2.588 154 V HA 0.480 4.600 4.120 -0.000 0.000 0.304 154 V C -0.678 174.929 176.094 -0.812 0.000 1.042 154 V CA -0.495 61.422 62.300 -0.638 0.000 0.877 154 V CB 1.771 33.293 31.823 -0.502 0.000 0.996 154 V HN 0.386 nan 8.190 nan 0.000 0.425 155 F N 2.377 122.127 119.950 -0.334 0.000 2.480 155 F HA 0.432 4.958 4.527 -0.001 0.000 0.329 155 F C 0.732 176.425 175.800 -0.178 0.000 1.091 155 F CA -0.953 56.890 58.000 -0.262 0.000 0.972 155 F CB 1.606 40.342 39.000 -0.440 0.000 1.150 155 F HN 0.658 nan 8.300 nan 0.000 0.467 156 D N 0.115 120.575 120.400 0.100 0.000 2.676 156 D HA 0.053 4.692 4.640 -0.000 0.000 0.239 156 D C -0.698 175.658 176.300 0.094 0.000 1.213 156 D CA 0.170 54.207 54.000 0.063 0.000 0.835 156 D CB -0.287 40.561 40.800 0.080 0.000 1.009 156 D HN 0.336 nan 8.370 nan 0.000 0.479 157 D N -1.280 119.187 120.400 0.111 0.000 2.990 157 D HA 0.323 4.962 4.640 -0.000 0.000 0.227 157 D C 1.132 177.486 176.300 0.090 0.000 1.249 157 D CA -0.739 53.319 54.000 0.097 0.000 0.891 157 D CB 1.812 42.684 40.800 0.119 0.000 1.647 157 D HN 0.017 nan 8.370 nan 0.000 0.530 158 G N 1.182 110.009 108.800 0.046 0.000 2.534 158 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.217 158 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.217 158 G C 1.004 175.929 174.900 0.042 0.000 1.128 158 G CA 0.311 45.429 45.100 0.029 0.000 0.784 158 G HN 0.416 nan 8.290 nan 0.000 0.542 159 S N 0.068 115.793 115.700 0.042 0.000 2.593 159 S HA 0.177 4.647 4.470 -0.000 0.000 0.217 159 S C 0.534 175.141 174.600 0.012 0.000 0.966 159 S CA -0.890 57.317 58.200 0.011 0.000 0.914 159 S CB -0.239 62.953 63.200 -0.014 0.000 0.776 159 S HN 0.386 nan 8.310 nan 0.000 0.523 160 F N 4.247 124.138 119.950 -0.098 0.000 2.537 160 F HA 0.015 4.540 4.527 -0.002 0.000 0.402 160 F C 0.645 176.335 175.800 -0.182 0.000 1.005 160 F CA 0.136 58.026 58.000 -0.184 0.000 1.203 160 F CB 0.235 39.075 39.000 -0.268 0.000 0.955 160 F HN 0.158 nan 8.300 nan 0.000 0.547 165 T N -0.968 113.328 114.554 -0.429 0.000 2.906 165 T HA 0.768 5.117 4.350 -0.000 0.000 0.295 165 T C -1.188 173.234 174.700 -0.464 0.000 1.075 165 T CA -0.832 61.124 62.100 -0.240 0.000 1.005 165 T CB 0.880 69.824 68.868 0.126 0.000 1.136 165 T HN 0.509 nan 8.240 nan 0.000 0.498 166 F N 1.471 121.100 119.950 -0.535 0.000 2.404 166 F HA 0.514 5.040 4.527 -0.002 0.000 0.358 166 F C 0.726 176.161 175.800 -0.608 0.000 1.120 166 F CA -0.616 56.835 58.000 -0.915 0.000 1.144 166 F CB 1.236 38.914 39.000 -2.203 0.000 1.133 166 F HN 0.430 nan 8.300 nan 0.000 0.495 167 Q N 2.385 122.137 119.800 -0.080 0.000 2.241 167 Q HA 0.281 4.621 4.340 -0.000 0.000 0.254 167 Q C 0.927 177.107 176.000 0.300 0.000 0.917 167 Q CA -0.525 55.368 55.803 0.150 0.000 0.919 167 Q CB 1.660 30.490 28.738 0.154 0.000 1.237 167 Q HN 0.700 nan 8.270 nan 0.000 0.434 168 L N 2.738 124.200 121.223 0.399 0.000 1.997 168 L HA -0.277 4.063 4.340 -0.000 0.000 0.216 168 L C 1.743 178.820 176.870 0.346 0.000 1.074 168 L CA 2.973 58.087 54.840 0.457 0.000 0.763 168 L CB -1.066 41.185 42.059 0.320 0.000 0.890 168 L HN 0.969 nan 8.230 nan 0.000 0.434 169 T N -4.549 110.137 114.554 0.221 0.000 2.951 169 T HA -0.120 4.230 4.350 -0.000 0.000 0.268 169 T C 1.710 176.517 174.700 0.179 0.000 1.073 169 T CA 0.938 63.122 62.100 0.140 0.000 1.134 169 T CB -0.561 68.335 68.868 0.046 0.000 0.884 169 T HN 0.415 nan 8.240 nan 0.000 0.479 170 D N 0.104 120.646 120.400 0.236 0.000 2.117 170 D HA -0.084 4.556 4.640 -0.000 0.000 0.198 170 D C 1.545 178.119 176.300 0.457 0.000 0.982 170 D CA 0.702 54.881 54.000 0.299 0.000 0.828 170 D CB -0.439 40.484 40.800 0.204 0.000 0.967 170 D HN 0.446 nan 8.370 nan 0.000 0.464 171 W N 1.290 122.729 121.300 0.233 0.000 2.333 171 W HA -0.106 4.556 4.660 0.003 0.000 0.316 171 W C 1.984 178.630 176.519 0.212 0.000 1.215 171 W CA 1.102 58.607 57.345 0.267 0.000 1.278 171 W CB -0.974 28.698 29.460 0.354 0.000 1.154 171 W HN 0.042 nan 8.180 nan 0.000 0.486 172 L N 0.640 122.009 121.223 0.242 0.000 2.083 172 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 172 L C 2.611 179.492 176.870 0.018 0.000 1.083 172 L CA 1.483 56.333 54.840 0.017 0.000 0.752 172 L CB -1.274 40.782 42.059 -0.005 0.000 0.899 172 L HN 0.015 nan 8.230 nan 0.000 0.433 173 A N -1.100 121.734 122.820 0.023 0.000 2.121 173 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 173 A C 1.282 178.630 177.584 -0.392 0.000 1.154 173 A CA 1.140 53.076 52.037 -0.168 0.000 0.679 173 A CB -0.668 18.213 19.000 -0.198 0.000 0.795 173 A HN 0.526 nan 8.150 nan 0.000 0.458 174 H N -1.018 118.125 119.070 0.121 0.000 2.486 174 H HA 0.264 4.821 4.556 0.001 0.000 0.284 174 H C -0.599 174.816 175.328 0.146 0.000 1.103 174 H CA 0.231 56.356 56.048 0.130 0.000 1.089 174 H CB 0.542 30.394 29.762 0.150 0.000 1.603 174 H HN 0.215 nan 8.280 nan 0.000 0.557 175 T N 1.804 116.439 114.554 0.135 0.000 2.829 175 T HA 0.288 4.637 4.350 -0.000 0.000 0.280 175 T C -2.508 172.209 174.700 0.028 0.000 0.999 175 T CA -1.731 60.420 62.100 0.085 0.000 0.983 175 T CB 1.920 70.776 68.868 -0.020 0.000 0.968 175 T HN -0.042 nan 8.240 nan 0.000 0.446 176 P HA 0.138 nan 4.420 nan 0.000 0.265 176 P C 0.896 178.194 177.300 -0.003 0.000 1.193 176 P CA -0.343 62.765 63.100 0.014 0.000 0.765 176 P CB 0.635 32.346 31.700 0.019 0.000 0.823 177 K N 2.982 123.378 120.400 -0.008 0.000 2.103 177 K HA -0.184 4.136 4.320 -0.000 0.000 0.207 177 K C 1.657 178.255 176.600 -0.004 0.000 1.048 177 K CA 1.685 57.966 56.287 -0.010 0.000 0.930 177 K CB -0.215 32.277 32.500 -0.013 0.000 0.716 177 K HN 0.677 nan 8.250 nan 0.000 0.444 178 E N 0.511 120.709 120.200 -0.003 0.000 2.153 178 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 178 E C 1.885 178.480 176.600 -0.007 0.000 0.988 178 E CA 1.056 57.454 56.400 -0.003 0.000 0.811 178 E CB -0.309 29.390 29.700 -0.002 0.000 0.746 178 E HN -0.055 nan 8.360 nan 0.000 0.466 179 V N 1.694 121.601 119.914 -0.012 0.000 2.379 179 V HA -0.195 3.924 4.120 -0.000 0.000 0.245 179 V C 2.427 178.493 176.094 -0.047 0.000 1.044 179 V CA 1.370 63.652 62.300 -0.029 0.000 1.036 179 V CB -0.392 31.417 31.823 -0.023 0.000 0.664 179 V HN 0.261 nan 8.190 nan 0.000 0.453 180 I N 0.728 121.283 120.570 -0.025 0.000 2.179 180 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 180 I C 2.717 178.901 176.117 0.111 0.000 1.088 180 I CA 1.592 62.909 61.300 0.028 0.000 1.357 180 I CB -0.673 37.355 38.000 0.047 0.000 1.051 180 I HN 0.287 nan 8.210 nan 0.000 0.409 181 A N 0.897 123.754 122.820 0.063 0.000 1.883 181 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 181 A C 2.564 180.175 177.584 0.045 0.000 1.186 181 A CA 2.059 54.136 52.037 0.066 0.000 0.624 181 A CB -0.951 18.065 19.000 0.027 0.000 0.822 181 A HN 0.443 nan 8.150 nan 0.000 0.444 182 A N -0.026 122.793 122.820 -0.002 0.000 1.933 182 A HA -0.231 4.088 4.320 -0.000 0.000 0.218 182 A C 1.947 179.481 177.584 -0.083 0.000 1.175 182 A CA 2.149 54.167 52.037 -0.032 0.000 0.628 182 A CB -0.805 18.172 19.000 -0.038 0.000 0.814 182 A HN 0.645 nan 8.150 nan 0.000 0.444 183 N N -1.573 117.033 118.700 -0.157 0.000 2.166 183 N HA -0.099 4.640 4.740 -0.000 0.000 0.186 183 N C 0.938 176.159 175.510 -0.482 0.000 1.019 183 N CA 1.683 54.507 53.050 -0.376 0.000 0.856 183 N CB -0.240 37.886 38.487 -0.601 0.000 0.993 183 N HN 0.411 nan 8.380 nan 0.000 0.426 184 F N -1.181 118.730 119.950 -0.065 0.000 2.704 184 F HA 0.392 4.919 4.527 -0.001 0.000 0.304 184 F C 1.585 177.359 175.800 -0.043 0.000 1.094 184 F CA 0.365 58.330 58.000 -0.057 0.000 1.275 184 F CB 0.308 39.269 39.000 -0.065 0.000 1.073 184 F HN 0.038 nan 8.300 nan 0.000 0.586 185 G N 1.632 110.489 108.800 0.095 0.000 2.225 185 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.264 185 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.264 185 G C -0.107 174.827 174.900 0.056 0.000 1.060 185 G CA 0.223 45.355 45.100 0.053 0.000 0.833 185 G HN 0.530 nan 8.290 nan 0.000 0.498 186 V N -3.216 116.739 119.914 0.068 0.000 3.158 186 V HA 0.989 5.109 4.120 -0.000 0.000 0.315 186 V C 0.627 176.735 176.094 0.024 0.000 1.148 186 V CA -0.050 62.273 62.300 0.037 0.000 1.042 186 V CB 1.613 33.452 31.823 0.027 0.000 1.101 186 V HN 1.191 nan 8.190 nan 0.000 0.448 187 T N -1.492 113.067 114.554 0.008 0.000 2.902 187 T HA 0.435 4.785 4.350 -0.000 0.000 0.280 187 T C 0.716 175.415 174.700 -0.001 0.000 0.992 187 T CA -0.201 61.901 62.100 0.003 0.000 1.015 187 T CB 1.269 70.135 68.868 -0.003 0.000 1.044 187 T HN 0.762 nan 8.240 nan 0.000 0.520 188 K N 0.303 120.701 120.400 -0.002 0.000 2.152 188 K HA -0.122 4.197 4.320 -0.000 0.000 0.206 188 K C 2.165 178.757 176.600 -0.014 0.000 1.048 188 K CA 1.579 57.862 56.287 -0.007 0.000 0.933 188 K CB -0.129 32.367 32.500 -0.007 0.000 0.721 188 K HN 0.628 nan 8.250 nan 0.000 0.447 189 E N 0.949 121.141 120.200 -0.013 0.000 2.110 189 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 189 E C 1.484 178.070 176.600 -0.023 0.000 0.988 189 E CA 1.173 57.563 56.400 -0.017 0.000 0.804 189 E CB -0.019 29.673 29.700 -0.014 0.000 0.745 189 E HN 0.322 nan 8.360 nan 0.000 0.458 190 E N -0.010 120.176 120.200 -0.024 0.000 2.338 190 E HA -0.096 4.254 4.350 -0.000 0.000 0.197 190 E C 1.376 177.947 176.600 -0.048 0.000 1.007 190 E CA 0.881 57.261 56.400 -0.034 0.000 0.849 190 E CB -0.107 29.574 29.700 -0.033 0.000 0.774 190 E HN 0.499 nan 8.360 nan 0.000 0.506 191 I N -2.541 118.002 120.570 -0.044 0.000 3.936 191 I HA 0.178 4.348 4.170 -0.000 0.000 0.330 191 I C 1.585 177.673 176.117 -0.048 0.000 1.509 191 I CA -0.176 61.089 61.300 -0.058 0.000 1.126 191 I CB 0.573 38.539 38.000 -0.057 0.000 1.115 191 I HN -0.140 nan 8.210 nan 0.000 0.424 192 S N 0.541 116.218 115.700 -0.038 0.000 2.447 192 S HA -0.121 4.349 4.470 -0.000 0.000 0.233 192 S C 1.538 176.115 174.600 -0.037 0.000 1.006 192 S CA 1.346 59.525 58.200 -0.034 0.000 0.957 192 S CB -0.647 62.537 63.200 -0.027 0.000 0.773 192 S HN 0.575 nan 8.310 nan 0.000 0.507 193 N N 0.742 119.417 118.700 -0.042 0.000 2.383 193 N HA 0.266 5.006 4.740 -0.000 0.000 0.192 193 N C -0.131 175.348 175.510 -0.052 0.000 1.141 193 N CA -0.145 52.879 53.050 -0.043 0.000 0.851 193 N CB -0.521 37.941 38.487 -0.041 0.000 0.976 193 N HN 0.459 nan 8.380 nan 0.000 0.465 194 L N 1.572 122.761 121.223 -0.057 0.000 2.514 194 L HA 0.101 4.441 4.340 -0.000 0.000 0.280 194 L C -1.575 175.260 176.870 -0.057 0.000 1.223 194 L CA -1.293 53.510 54.840 -0.062 0.000 0.864 194 L CB -0.060 41.962 42.059 -0.061 0.000 1.118 194 L HN 0.098 nan 8.230 nan 0.000 0.494 195 P HA 0.004 nan 4.420 nan 0.000 0.267 195 P C 0.553 177.822 177.300 -0.052 0.000 1.200 195 P CA -0.013 63.051 63.100 -0.058 0.000 0.772 195 P CB 0.655 32.312 31.700 -0.072 0.000 0.855 196 G N 1.602 110.373 108.800 -0.048 0.000 2.880 196 G HA2 0.040 4.000 3.960 -0.000 0.000 0.209 196 G HA3 0.040 4.000 3.960 -0.000 0.000 0.209 196 G C 0.170 175.040 174.900 -0.049 0.000 1.157 196 G CA 0.074 45.139 45.100 -0.057 0.000 0.779 196 G HN 0.615 nan 8.290 nan 0.000 0.539 197 K N -0.004 120.384 120.400 -0.019 0.000 2.548 197 K HA 0.442 4.762 4.320 -0.000 0.000 0.282 197 K C -0.691 175.929 176.600 0.033 0.000 1.006 197 K CA -1.090 55.211 56.287 0.023 0.000 0.892 197 K CB 1.096 33.613 32.500 0.029 0.000 1.499 197 K HN 0.125 nan 8.250 nan 0.000 0.433 198 E N 0.996 121.238 120.200 0.070 0.000 2.425 198 E HA 0.054 4.404 4.350 -0.000 0.000 0.258 198 E C -0.192 176.446 176.600 0.062 0.000 1.151 198 E CA -0.436 56.014 56.400 0.083 0.000 0.958 198 E CB 0.877 30.645 29.700 0.113 0.000 0.968 198 E HN 0.577 nan 8.360 nan 0.000 0.451 199 K N 0.503 120.942 120.400 0.065 0.000 2.262 199 K HA -0.035 4.285 4.320 -0.000 0.000 0.200 199 K C 0.444 177.215 176.600 0.285 0.000 1.058 199 K CA 0.538 56.861 56.287 0.061 0.000 0.974 199 K CB -0.122 32.232 32.500 -0.242 0.000 0.910 199 K HN 0.680 nan 8.250 nan 0.000 0.484 200 Y N 0.198 120.592 120.300 0.157 0.000 2.750 200 Y HA -0.382 4.168 4.550 -0.001 0.000 0.477 200 Y C -0.429 175.607 175.900 0.228 0.000 1.138 200 Y CA 1.539 59.730 58.100 0.153 0.000 2.829 200 Y CB -0.796 37.719 38.460 0.091 0.000 1.073 200 Y HN -0.005 nan 8.280 nan 0.000 0.590 201 I N 1.279 122.013 120.570 0.273 0.000 2.498 201 I HA 0.478 4.648 4.170 -0.000 0.000 0.290 201 I C -1.179 175.147 176.117 0.349 0.000 1.032 201 I CA -0.616 60.787 61.300 0.172 0.000 1.073 201 I CB 1.743 39.806 38.000 0.104 0.000 1.251 201 I HN 0.227 nan 8.210 nan 0.000 0.426 202 F N 3.352 123.335 119.950 0.055 0.000 2.619 202 F HA 0.595 5.121 4.527 -0.001 0.000 0.308 202 F C -0.610 175.217 175.800 0.045 0.000 1.097 202 F CA -1.065 56.969 58.000 0.058 0.000 0.953 202 F CB 0.904 39.938 39.000 0.057 0.000 1.287 202 F HN 0.232 nan 8.300 nan 0.000 0.446 203 E N 2.328 122.617 120.200 0.148 0.000 2.383 203 E HA 0.263 4.613 4.350 -0.000 0.000 0.264 203 E C -0.887 175.739 176.600 0.044 0.000 1.050 203 E CA -0.104 56.325 56.400 0.049 0.000 0.896 203 E CB 1.107 30.855 29.700 0.080 0.000 0.982 203 E HN 0.746 nan 8.360 nan 0.000 0.424 204 N N 0.928 119.614 118.700 -0.024 0.000 2.823 204 N HA -0.005 4.735 4.740 -0.000 0.000 0.251 204 N C -1.214 174.290 175.510 -0.009 0.000 1.392 204 N CA -0.524 52.525 53.050 -0.002 0.000 0.864 204 N CB 2.238 40.681 38.487 -0.073 0.000 1.481 204 N HN 0.366 nan 8.380 nan 0.000 0.508 205 Q N 1.396 121.200 119.800 0.006 0.000 2.395 205 Q HA 0.175 4.515 4.340 -0.000 0.000 0.271 205 Q C -0.217 175.773 176.000 -0.016 0.000 1.026 205 Q CA -0.040 55.763 55.803 -0.000 0.000 0.900 205 Q CB 0.613 29.355 28.738 0.007 0.000 1.266 205 Q HN 0.452 nan 8.270 nan 0.000 0.430 206 L N 5.894 127.108 121.223 -0.015 0.000 2.559 206 L HA 0.019 4.359 4.340 -0.000 0.000 0.282 206 L C -1.692 175.163 176.870 -0.025 0.000 1.232 206 L CA -1.013 53.814 54.840 -0.022 0.000 0.885 206 L CB -0.203 41.847 42.059 -0.016 0.000 1.131 206 L HN 0.670 nan 8.230 nan 0.000 0.498 207 P HA 0.154 nan 4.420 nan 0.000 0.274 207 P C -0.005 177.276 177.300 -0.031 0.000 1.256 207 P CA -0.437 62.642 63.100 -0.034 0.000 0.795 207 P CB 0.600 32.272 31.700 -0.046 0.000 1.038 208 G N -0.057 108.724 108.800 -0.031 0.000 2.494 208 G HA2 0.218 4.178 3.960 -0.000 0.000 0.270 208 G HA3 0.218 4.178 3.960 -0.000 0.000 0.270 208 G C -0.250 174.628 174.900 -0.036 0.000 1.423 208 G CA -0.466 44.617 45.100 -0.029 0.000 1.055 208 G HN 0.501 nan 8.290 nan 0.000 0.536 209 S N -0.673 115.006 115.700 -0.035 0.000 2.568 209 S HA -0.002 4.468 4.470 -0.000 0.000 0.282 209 S C 1.536 176.107 174.600 -0.049 0.000 1.338 209 S CA -0.597 57.579 58.200 -0.040 0.000 1.045 209 S CB 1.147 64.326 63.200 -0.035 0.000 0.873 209 S HN 0.519 nan 8.310 nan 0.000 0.516 210 L N 4.700 125.889 121.223 -0.057 0.000 2.012 210 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 210 L C 2.346 179.174 176.870 -0.070 0.000 1.073 210 L CA 1.994 56.791 54.840 -0.072 0.000 0.748 210 L CB -0.794 41.215 42.059 -0.083 0.000 0.891 210 L HN 0.850 nan 8.230 nan 0.000 0.431 211 K N -1.576 118.789 120.400 -0.058 0.000 2.152 211 K HA -0.199 4.121 4.320 -0.000 0.000 0.206 211 K C 1.347 177.920 176.600 -0.046 0.000 1.048 211 K CA 1.840 58.096 56.287 -0.052 0.000 0.933 211 K CB -0.639 31.836 32.500 -0.042 0.000 0.721 211 K HN 0.322 nan 8.250 nan 0.000 0.447 212 D N 0.959 121.334 120.400 -0.042 0.000 2.347 212 D HA -0.072 4.568 4.640 -0.000 0.000 0.215 212 D C 0.777 177.053 176.300 -0.040 0.000 0.976 212 D CA 0.764 54.742 54.000 -0.036 0.000 0.884 212 D CB 0.045 40.826 40.800 -0.031 0.000 0.915 212 D HN 0.311 nan 8.370 nan 0.000 0.526 213 D N -0.181 120.188 120.400 -0.051 0.000 2.346 213 D HA 0.017 4.657 4.640 -0.000 0.000 0.206 213 D C 0.663 176.927 176.300 -0.060 0.000 1.001 213 D CA -0.130 53.837 54.000 -0.055 0.000 0.871 213 D CB 0.540 41.300 40.800 -0.066 0.000 0.943 213 D HN 0.076 nan 8.370 nan 0.000 0.518 214 I N 1.839 122.370 120.570 -0.064 0.000 2.668 214 I HA -0.054 4.116 4.170 -0.000 0.000 0.285 214 I C 0.393 176.482 176.117 -0.045 0.000 1.168 214 I CA -0.019 61.242 61.300 -0.067 0.000 1.424 214 I CB 0.104 38.065 38.000 -0.065 0.000 1.377 214 I HN -0.296 nan 8.210 nan 0.000 0.560 215 V N 7.159 127.049 119.914 -0.040 0.000 2.370 215 V HA 0.249 4.369 4.120 -0.000 0.000 0.279 215 V C 0.418 176.504 176.094 -0.014 0.000 1.029 215 V CA -0.860 61.425 62.300 -0.025 0.000 0.870 215 V CB 1.455 33.264 31.823 -0.023 0.000 0.984 215 V HN 0.598 nan 8.190 nan 0.000 0.451 216 E N 2.892 123.086 120.200 -0.011 0.000 2.313 216 E HA 0.684 5.034 4.350 -0.000 0.000 0.272 216 E C 0.280 176.880 176.600 -0.000 0.000 1.038 216 E CA -0.017 56.381 56.400 -0.004 0.000 0.863 216 E CB 2.110 31.807 29.700 -0.006 0.000 1.060 216 E HN 0.870 nan 8.360 nan 0.000 0.402 217 G N 1.170 109.972 108.800 0.005 0.000 2.682 217 G HA2 0.387 4.347 3.960 -0.000 0.000 0.290 217 G HA3 0.387 4.347 3.960 -0.000 0.000 0.290 217 G C -2.084 172.819 174.900 0.006 0.000 1.425 217 G CA -0.863 44.240 45.100 0.005 0.000 0.807 217 G HN 0.307 nan 8.290 nan 0.000 0.482 218 P HA 0.014 nan 4.420 nan 0.000 0.233 218 P C 0.507 177.811 177.300 0.007 0.000 1.167 218 P CA 0.667 63.769 63.100 0.004 0.000 0.770 218 P CB 0.328 32.029 31.700 0.002 0.000 0.837 219 N N -0.543 118.163 118.700 0.011 0.000 2.236 219 N HA 0.308 5.048 4.740 -0.000 0.000 0.196 219 N C 0.740 176.261 175.510 0.019 0.000 1.114 219 N CA 0.648 53.706 53.050 0.014 0.000 0.859 219 N CB 0.596 39.092 38.487 0.015 0.000 0.982 219 N HN 0.167 nan 8.380 nan 0.000 0.493 220 G N -0.147 108.664 108.800 0.019 0.000 2.710 220 G HA2 0.010 3.969 3.960 -0.000 0.000 0.668 220 G HA3 0.010 3.969 3.960 -0.000 0.000 0.668 220 G C -0.512 174.410 174.900 0.037 0.000 1.320 220 G CA -0.440 44.672 45.100 0.021 0.000 0.860 220 G HN 0.318 nan 8.290 nan 0.000 0.538 221 E N -0.750 119.470 120.200 0.034 0.000 2.349 221 E HA 0.723 5.073 4.350 -0.000 0.000 0.265 221 E C 1.203 177.841 176.600 0.063 0.000 1.064 221 E CA -0.012 56.423 56.400 0.058 0.000 0.886 221 E CB 1.022 30.746 29.700 0.041 0.000 1.036 221 E HN 2.274 nan 8.360 nan 0.000 0.413 222 V N -0.204 119.784 119.914 0.123 0.000 2.740 222 V HA 0.265 4.384 4.120 -0.000 0.000 0.303 222 V C -1.274 174.805 176.094 -0.025 0.000 1.054 222 V CA -0.577 61.789 62.300 0.111 0.000 1.106 222 V CB 0.909 32.880 31.823 0.246 0.000 0.957 222 V HN 0.757 nan 8.190 nan 0.000 0.486 223 P HA 0.031 nan 4.420 nan 0.000 0.221 223 P C -0.270 176.591 177.300 -0.731 0.000 1.150 223 P CA 1.225 64.100 63.100 -0.375 0.000 0.800 223 P CB -0.016 31.488 31.700 -0.327 0.000 0.787 224 Y N -0.260 119.935 120.300 -0.175 0.000 2.457 224 Y HA 0.409 4.959 4.550 0.000 0.000 0.343 224 Y C -2.249 173.349 175.900 -0.504 0.000 0.994 224 Y CA -2.886 55.065 58.100 -0.249 0.000 1.031 224 Y CB 1.616 39.927 38.460 -0.249 0.000 1.246 224 Y HN -0.193 nan 8.280 nan 0.000 0.449 225 P HA 0.109 nan 4.420 nan 0.000 0.272 225 P C -0.274 176.685 177.300 -0.568 0.000 1.223 225 P CA -0.024 62.815 63.100 -0.435 0.000 0.784 225 P CB 0.891 32.627 31.700 0.060 0.000 0.923 226 F N -0.416 119.135 119.950 -0.665 0.000 2.693 226 F HA 0.104 4.630 4.527 -0.001 0.000 0.303 226 F C 1.513 177.544 175.800 0.385 0.000 1.097 226 F CA 0.216 58.204 58.000 -0.020 0.000 1.330 226 F CB -0.169 38.818 39.000 -0.021 0.000 1.067 226 F HN 0.232 nan 8.300 nan 0.000 0.565 227 T N -3.266 111.552 114.554 0.440 0.000 2.916 227 T HA 0.588 4.937 4.350 -0.000 0.000 0.292 227 T C -1.560 173.107 174.700 -0.055 0.000 1.064 227 T CA -0.805 61.476 62.100 0.302 0.000 1.011 227 T CB 2.509 71.582 68.868 0.341 0.000 1.152 227 T HN -0.013 nan 8.240 nan 0.000 0.510 228 Y N 0.541 120.526 120.300 -0.525 0.000 2.441 228 Y HA 0.516 5.066 4.550 0.000 0.000 0.334 228 Y C -0.922 174.756 175.900 -0.370 0.000 1.061 228 Y CA -1.202 56.490 58.100 -0.681 0.000 1.032 228 Y CB 1.751 39.305 38.460 -1.509 0.000 1.266 228 Y HN 0.620 nan 8.280 nan 0.000 0.441 229 R N 6.784 126.873 120.500 -0.684 0.000 2.593 229 R HA 0.151 4.491 4.340 -0.000 0.000 0.282 229 R C 0.679 176.711 176.300 -0.447 0.000 1.300 229 R CA -0.365 55.472 56.100 -0.438 0.000 1.221 229 R CB 0.172 30.272 30.300 -0.334 0.000 1.157 229 R HN 0.861 nan 8.270 nan 0.000 0.555 230 L N 2.610 123.717 121.223 -0.195 0.000 2.017 230 L HA -0.096 4.243 4.340 -0.000 0.000 0.208 230 L C 1.569 178.384 176.870 -0.092 0.000 1.073 230 L CA 1.891 56.742 54.840 0.019 0.000 0.745 230 L CB -0.225 41.919 42.059 0.141 0.000 0.894 230 L HN 0.548 nan 8.230 nan 0.000 0.432 231 L N -0.853 120.237 121.223 -0.223 0.000 2.552 231 L HA -0.063 4.277 4.340 -0.000 0.000 0.227 231 L C 1.914 178.727 176.870 -0.096 0.000 1.146 231 L CA 0.434 55.069 54.840 -0.342 0.000 0.858 231 L CB -0.485 41.382 42.059 -0.319 0.000 0.969 231 L HN 0.389 nan 8.230 nan 0.000 0.451 232 E N -0.620 119.526 120.200 -0.089 0.000 2.481 232 E HA -0.024 4.326 4.350 -0.000 0.000 0.195 232 E C 0.384 176.986 176.600 0.004 0.000 1.047 232 E CA -0.040 56.329 56.400 -0.051 0.000 0.867 232 E CB 0.331 29.962 29.700 -0.116 0.000 0.858 232 E HN 0.429 nan 8.360 nan 0.000 0.513 233 Q N 0.363 120.203 119.800 0.067 0.000 2.317 233 Q HA 0.195 4.534 4.340 -0.000 0.000 0.229 233 Q C 0.150 176.242 176.000 0.152 0.000 0.984 233 Q CA 0.099 55.968 55.803 0.110 0.000 0.911 233 Q CB 0.162 29.006 28.738 0.177 0.000 1.217 233 Q HN 0.208 nan 8.270 nan 0.000 0.501 234 E N 2.678 122.915 120.200 0.062 0.000 2.217 234 E HA 0.300 4.650 4.350 -0.000 0.000 0.279 234 E C -2.173 174.359 176.600 -0.113 0.000 1.068 234 E CA -1.630 54.766 56.400 -0.008 0.000 0.882 234 E CB -0.633 29.056 29.700 -0.018 0.000 1.039 234 E HN 0.279 nan 8.360 nan 0.000 0.418 235 P HA 0.339 nan 4.420 nan 0.000 0.276 235 P C -0.301 176.817 177.300 -0.303 0.000 1.252 235 P CA -0.607 62.145 63.100 -0.580 0.000 0.802 235 P CB 0.722 31.763 31.700 -1.099 0.000 1.035 236 I N 1.000 121.412 120.570 -0.264 0.000 2.505 236 I HA 0.087 4.257 4.170 -0.000 0.000 0.287 236 I C 1.008 177.032 176.117 -0.157 0.000 1.104 236 I CA 0.435 61.638 61.300 -0.163 0.000 1.387 236 I CB -0.194 37.727 38.000 -0.132 0.000 1.404 236 I HN 0.213 nan 8.210 nan 0.000 0.528 237 E N 5.412 125.552 120.200 -0.100 0.000 2.133 237 E HA 0.418 4.768 4.350 -0.000 0.000 0.274 237 E C -0.750 175.843 176.600 -0.011 0.000 0.930 237 E CA -0.418 55.940 56.400 -0.070 0.000 0.770 237 E CB 1.482 31.144 29.700 -0.064 0.000 1.104 237 E HN 0.705 nan 8.360 nan 0.000 0.403 238 S N 1.800 117.501 115.700 0.002 0.000 2.806 238 S HA 0.257 4.727 4.470 -0.000 0.000 0.315 238 S C 0.970 175.567 174.600 -0.006 0.000 1.127 238 S CA -0.961 57.260 58.200 0.035 0.000 0.918 238 S CB 1.390 64.648 63.200 0.097 0.000 1.240 238 S HN 0.615 nan 8.310 nan 0.000 0.552 239 E N 0.457 120.634 120.200 -0.038 0.000 2.118 239 E HA -0.113 4.237 4.350 -0.000 0.000 0.195 239 E C 1.474 178.069 176.600 -0.008 0.000 0.992 239 E CA 1.279 57.654 56.400 -0.040 0.000 0.804 239 E CB -0.535 29.122 29.700 -0.072 0.000 0.741 239 E HN 0.833 nan 8.360 nan 0.000 0.458 240 G N -0.763 108.043 108.800 0.010 0.000 3.159 240 G HA2 0.412 4.372 3.960 -0.000 0.000 0.232 240 G HA3 0.412 4.372 3.960 -0.000 0.000 0.232 240 G C 0.226 175.150 174.900 0.040 0.000 1.116 240 G CA 0.329 45.448 45.100 0.032 0.000 0.767 240 G HN 0.459 nan 8.290 nan 0.000 0.547 241 G N -0.438 108.376 108.800 0.024 0.000 2.336 241 G HA2 0.452 4.411 3.960 -0.000 0.000 0.286 241 G HA3 0.452 4.411 3.960 -0.000 0.000 0.286 241 G C -1.885 173.005 174.900 -0.017 0.000 1.269 241 G CA -0.917 44.194 45.100 0.018 0.000 0.873 241 G HN 0.197 nan 8.290 nan 0.000 0.494 242 K N -0.859 119.519 120.400 -0.037 0.000 2.469 242 K HA 0.689 5.009 4.320 -0.000 0.000 0.254 242 K C -1.431 175.086 176.600 -0.137 0.000 0.939 242 K CA -0.770 55.446 56.287 -0.119 0.000 0.812 242 K CB 3.107 35.532 32.500 -0.125 0.000 1.301 242 K HN 0.393 nan 8.250 nan 0.000 0.433 243 V N 2.807 122.582 119.914 -0.231 0.000 2.577 243 V HA 0.390 4.510 4.120 -0.000 0.000 0.303 243 V C -1.548 174.388 176.094 -0.264 0.000 1.042 243 V CA -0.922 61.268 62.300 -0.184 0.000 0.872 243 V CB 1.136 32.857 31.823 -0.170 0.000 0.998 243 V HN 0.614 nan 8.190 nan 0.000 0.423 244 Y N 4.633 124.873 120.300 -0.100 0.000 2.334 244 Y HA 0.662 5.212 4.550 -0.001 0.000 0.336 244 Y C 0.093 175.946 175.900 -0.079 0.000 0.960 244 Y CA -0.683 57.385 58.100 -0.052 0.000 1.164 244 Y CB 1.531 39.996 38.460 0.008 0.000 1.155 244 Y HN 0.459 nan 8.280 nan 0.000 0.478 245 I N 3.365 123.949 120.570 0.025 0.000 2.377 245 I HA 0.694 4.864 4.170 -0.000 0.000 0.293 245 I C -0.318 175.819 176.117 0.033 0.000 0.987 245 I CA -0.830 60.422 61.300 -0.080 0.000 1.185 245 I CB 1.529 39.364 38.000 -0.274 0.000 1.341 245 I HN 0.689 nan 8.210 nan 0.000 0.455 246 A N 5.352 128.202 122.820 0.049 0.000 2.332 246 A HA 0.724 5.044 4.320 -0.000 0.000 0.300 246 A C -1.144 176.460 177.584 0.034 0.000 1.153 246 A CA -0.490 51.544 52.037 -0.005 0.000 0.764 246 A CB 0.724 19.743 19.000 0.032 0.000 1.174 246 A HN 0.753 nan 8.150 nan 0.000 0.467 247 D N 0.484 120.868 120.400 -0.026 0.000 2.781 247 D HA 0.353 4.993 4.640 -0.000 0.000 0.295 247 D C 0.985 177.221 176.300 -0.107 0.000 1.143 247 D CA 0.263 54.240 54.000 -0.038 0.000 1.076 247 D CB 0.198 41.006 40.800 0.013 0.000 1.444 247 D HN 0.377 nan 8.370 nan 0.000 0.567 248 S N -1.643 113.973 115.700 -0.139 0.000 2.547 248 S HA -0.139 4.330 4.470 -0.000 0.000 0.235 248 S C 1.591 176.107 174.600 -0.140 0.000 0.980 248 S CA 1.566 59.648 58.200 -0.196 0.000 0.941 248 S CB -1.305 61.777 63.200 -0.196 0.000 0.763 248 S HN 0.693 nan 8.310 nan 0.000 0.532 249 T N -0.013 114.495 114.554 -0.078 0.000 3.014 249 T HA 0.016 4.366 4.350 -0.000 0.000 0.263 249 T C 1.530 176.210 174.700 -0.033 0.000 1.078 249 T CA 0.988 63.056 62.100 -0.052 0.000 1.135 249 T CB -0.404 68.451 68.868 -0.022 0.000 0.895 249 T HN 0.648 nan 8.240 nan 0.000 0.480 250 N N -0.058 118.619 118.700 -0.037 0.000 2.557 250 N HA 0.129 4.869 4.740 -0.000 0.000 0.217 250 N C 0.023 175.536 175.510 0.006 0.000 1.062 250 N CA -0.346 52.711 53.050 0.013 0.000 0.863 250 N CB -0.460 38.063 38.487 0.061 0.000 1.390 250 N HN 0.335 nan 8.380 nan 0.000 0.445 251 F N 3.485 123.178 119.950 -0.428 0.000 2.451 251 F HA 0.451 4.978 4.527 0.000 0.000 0.356 251 F C 0.952 176.577 175.800 -0.292 0.000 1.178 251 F CA -1.401 56.320 58.000 -0.464 0.000 1.210 251 F CB 0.262 38.825 39.000 -0.729 0.000 1.504 251 F HN -0.163 nan 8.300 nan 0.000 0.598 252 K N 2.893 123.246 120.400 -0.079 0.000 2.103 252 K HA -0.104 4.216 4.320 -0.000 0.000 0.207 252 K C 2.151 178.445 176.600 -0.510 0.000 1.048 252 K CA 1.713 57.792 56.287 -0.347 0.000 0.930 252 K CB -0.855 31.318 32.500 -0.545 0.000 0.716 252 K HN 0.547 nan 8.250 nan 0.000 0.444 253 V N -1.201 118.391 119.914 -0.537 0.000 2.970 253 V HA 0.002 4.122 4.120 -0.000 0.000 0.260 253 V C 1.431 177.064 176.094 -0.768 0.000 1.100 253 V CA 1.102 63.097 62.300 -0.507 0.000 1.122 253 V CB -0.472 31.131 31.823 -0.368 0.000 0.721 253 V HN 0.057 nan 8.190 nan 0.000 0.483 254 S N 1.056 116.063 115.700 -1.155 0.000 4.175 254 S HA 0.166 4.635 4.470 -0.000 0.000 0.193 254 S C 1.365 175.394 174.600 -0.951 0.000 1.373 254 S CA -0.470 56.765 58.200 -1.608 0.000 0.908 254 S CB -0.556 61.938 63.200 -1.178 0.000 1.547 254 S HN 0.529 nan 8.310 nan 0.000 0.440 255 K N 0.950 120.915 120.400 -0.724 0.000 2.155 255 K HA -0.020 4.300 4.320 -0.000 0.000 0.203 255 K C 1.986 178.497 176.600 -0.148 0.000 1.052 255 K CA 1.428 57.544 56.287 -0.284 0.000 0.948 255 K CB -0.623 31.806 32.500 -0.118 0.000 0.728 255 K HN 0.715 nan 8.250 nan 0.000 0.448 256 T N -2.158 112.361 114.554 -0.059 0.000 3.044 256 T HA 0.279 4.629 4.350 -0.000 0.000 0.260 256 T C 0.507 175.227 174.700 0.034 0.000 1.019 256 T CA -0.326 61.809 62.100 0.059 0.000 0.921 256 T CB 0.266 69.239 68.868 0.175 0.000 1.053 256 T HN -0.180 nan 8.240 nan 0.000 0.533 257 I N 1.946 122.494 120.570 -0.037 0.000 2.478 257 I HA 0.685 4.855 4.170 -0.000 0.000 0.287 257 I C -0.449 175.570 176.117 -0.163 0.000 1.042 257 I CA -1.153 60.084 61.300 -0.105 0.000 1.067 257 I CB 1.392 39.335 38.000 -0.096 0.000 1.233 257 I HN 0.241 nan 8.210 nan 0.000 0.431 258 A N 5.075 127.827 122.820 -0.112 0.000 2.340 258 A HA 0.903 5.222 4.320 -0.000 0.000 0.331 258 A C -0.232 177.367 177.584 0.024 0.000 1.140 258 A CA -0.409 51.619 52.037 -0.014 0.000 0.801 258 A CB 1.410 20.420 19.000 0.017 0.000 1.234 258 A HN 0.779 nan 8.150 nan 0.000 0.469 259 S N -0.031 115.704 115.700 0.057 0.000 2.556 259 S HA 0.866 5.336 4.470 -0.000 0.000 0.271 259 S C -0.713 173.936 174.600 0.081 0.000 1.135 259 S CA -0.104 58.091 58.200 -0.009 0.000 0.858 259 S CB 1.673 64.764 63.200 -0.181 0.000 1.114 259 S HN 2.207 nan 8.310 nan 0.000 0.468 260 A N 1.384 124.241 122.820 0.062 0.000 2.422 260 A HA 0.773 5.093 4.320 -0.000 0.000 0.302 260 A C -1.303 176.252 177.584 -0.048 0.000 1.041 260 A CA -0.696 51.321 52.037 -0.033 0.000 0.708 260 A CB 1.425 20.340 19.000 -0.142 0.000 1.257 260 A HN 1.236 nan 8.150 nan 0.000 0.414 261 L N 3.313 124.518 121.223 -0.030 0.000 2.272 261 L HA 0.698 5.038 4.340 -0.000 0.000 0.289 261 L C -1.008 175.786 176.870 -0.127 0.000 1.032 261 L CA -0.148 54.624 54.840 -0.114 0.000 0.810 261 L CB 1.427 43.435 42.059 -0.085 0.000 1.205 261 L HN 0.433 nan 8.230 nan 0.000 0.422 262 V N 3.835 123.510 119.914 -0.399 0.000 2.459 262 V HA 0.587 4.706 4.120 -0.000 0.000 0.295 262 V C -0.016 175.859 176.094 -0.364 0.000 1.029 262 V CA -0.481 61.535 62.300 -0.474 0.000 0.874 262 V CB 1.769 33.027 31.823 -0.942 0.000 0.985 262 V HN 0.827 nan 8.190 nan 0.000 0.438 263 T N 4.027 118.506 114.554 -0.125 0.000 2.792 263 T HA 0.633 4.983 4.350 -0.000 0.000 0.280 263 T C -0.550 174.169 174.700 0.030 0.000 0.990 263 T CA -0.442 61.650 62.100 -0.014 0.000 0.960 263 T CB 1.667 70.571 68.868 0.059 0.000 0.939 263 T HN 0.364 nan 8.240 nan 0.000 0.439 264 V N 3.579 123.550 119.914 0.096 0.000 2.443 264 V HA 0.346 4.466 4.120 -0.000 0.000 0.293 264 V C 0.094 176.260 176.094 0.121 0.000 1.021 264 V CA -1.026 61.353 62.300 0.133 0.000 0.848 264 V CB 1.656 33.617 31.823 0.231 0.000 0.998 264 V HN 0.767 nan 8.190 nan 0.000 0.424 265 E N 4.980 125.235 120.200 0.092 0.000 2.408 265 E HA 0.241 4.591 4.350 -0.000 0.000 0.259 265 E C -2.410 174.242 176.600 0.086 0.000 1.110 265 E CA -2.019 54.429 56.400 0.080 0.000 0.929 265 E CB 0.451 30.186 29.700 0.059 0.000 0.971 265 E HN 0.372 nan 8.360 nan 0.000 0.438 266 P HA 0.004 nan 4.420 nan 0.000 0.264 266 P C 0.575 177.913 177.300 0.064 0.000 1.183 266 P CA 0.977 64.120 63.100 0.071 0.000 0.763 266 P CB 0.330 32.065 31.700 0.059 0.000 0.807 267 G N 0.928 109.768 108.800 0.066 0.000 2.162 267 G HA2 -0.078 3.881 3.960 -0.000 0.000 0.260 267 G HA3 -0.078 3.881 3.960 -0.000 0.000 0.260 267 G C 0.296 175.234 174.900 0.064 0.000 0.976 267 G CA 0.126 45.260 45.100 0.057 0.000 0.655 267 G HN 0.880 nan 8.290 nan 0.000 0.533 268 A N -0.477 122.393 122.820 0.084 0.000 2.387 268 A HA 1.079 5.398 4.320 -0.000 0.000 0.298 268 A C -0.100 177.564 177.584 0.134 0.000 1.165 268 A CA -0.100 51.993 52.037 0.093 0.000 0.814 268 A CB 1.248 20.299 19.000 0.085 0.000 1.357 268 A HN 1.726 nan 8.150 nan 0.000 0.443 269 M N -0.558 119.131 119.600 0.148 0.000 2.413 269 M HA 0.676 5.156 4.480 -0.000 0.000 0.287 269 M C -0.676 175.760 176.300 0.226 0.000 1.186 269 M CA -0.758 54.670 55.300 0.213 0.000 0.927 269 M CB 1.821 34.545 32.600 0.207 0.000 1.715 269 M HN 0.542 nan 8.290 nan 0.000 0.478 270 R N 2.898 123.581 120.500 0.305 0.000 2.421 270 R HA 0.138 4.478 4.340 -0.000 0.000 0.305 270 R C -0.169 176.316 176.300 0.307 0.000 1.039 270 R CA 0.351 56.630 56.100 0.298 0.000 1.003 270 R CB 0.332 30.902 30.300 0.450 0.000 0.959 270 R HN 0.833 nan 8.270 nan 0.000 0.427 271 E N 3.868 124.194 120.200 0.211 0.000 2.428 271 E HA -0.046 4.304 4.350 -0.000 0.000 0.257 271 E C -0.614 176.195 176.600 0.348 0.000 1.197 271 E CA -0.491 56.041 56.400 0.220 0.000 0.974 271 E CB 0.467 30.250 29.700 0.138 0.000 0.976 271 E HN 0.517 nan 8.360 nan 0.000 0.463 272 L N 3.276 124.671 121.223 0.286 0.000 2.534 272 L HA 0.101 4.440 4.340 -0.000 0.000 0.271 272 L C 0.361 177.400 176.870 0.282 0.000 1.178 272 L CA 0.411 55.424 54.840 0.288 0.000 0.907 272 L CB -0.442 41.755 42.059 0.231 0.000 1.164 272 L HN 0.632 nan 8.230 nan 0.000 0.482 273 H N 2.116 121.197 119.070 0.017 0.000 2.948 273 H HA 0.445 5.001 4.556 0.000 0.000 0.315 273 H C -1.626 173.679 175.328 -0.039 0.000 1.360 273 H CA -1.185 54.805 56.048 -0.097 0.000 1.125 273 H CB 1.004 30.623 29.762 -0.238 0.000 1.844 273 H HN 0.589 nan 8.280 nan 0.000 0.529 274 W N 0.206 121.329 121.300 -0.295 0.000 3.038 274 W HA 0.626 5.286 4.660 -0.000 0.000 0.347 274 W C -1.731 174.569 176.519 -0.364 0.000 1.219 274 W CA -1.008 56.171 57.345 -0.277 0.000 1.142 274 W CB 0.970 30.406 29.460 -0.041 0.000 1.484 274 W HN 0.517 nan 8.180 nan 0.000 0.586 275 H N 1.750 121.036 119.070 0.361 0.000 2.551 275 H HA 0.244 4.800 4.556 -0.001 0.000 0.321 275 H C -1.835 173.669 175.328 0.293 0.000 1.028 275 H CA -1.953 54.160 56.048 0.109 0.000 1.215 275 H CB 2.022 31.823 29.762 0.065 0.000 1.414 275 H HN 0.233 nan 8.280 nan 0.000 0.480 276 P HA -0.053 nan 4.420 nan 0.000 0.249 276 P C 0.601 178.099 177.300 0.331 0.000 1.229 276 P CA 0.464 63.780 63.100 0.360 0.000 0.788 276 P CB 0.529 32.326 31.700 0.161 0.000 1.072 277 N N -1.339 117.397 118.700 0.060 0.000 2.564 277 N HA 0.068 4.808 4.740 -0.000 0.000 0.202 277 N C 0.479 175.534 175.510 -0.759 0.000 1.052 277 N CA 0.541 53.446 53.050 -0.242 0.000 0.872 277 N CB 0.158 38.446 38.487 -0.331 0.000 1.303 277 N HN -0.027 nan 8.380 nan 0.000 0.440 278 T N -0.985 113.186 114.554 -0.637 0.000 2.658 278 T HA 0.183 4.533 4.350 -0.000 0.000 0.305 278 T C -1.858 172.671 174.700 -0.285 0.000 1.551 278 T CA -0.660 60.958 62.100 -0.804 0.000 0.985 278 T CB 0.226 68.818 68.868 -0.460 0.000 1.731 278 T HN 0.168 nan 8.240 nan 0.000 0.486 279 H N 1.504 120.539 119.070 -0.057 0.000 2.771 279 H HA 0.324 4.880 4.556 -0.001 0.000 0.364 279 H C 0.223 175.393 175.328 -0.264 0.000 1.133 279 H CA 0.122 56.102 56.048 -0.113 0.000 1.423 279 H CB 0.584 30.255 29.762 -0.152 0.000 1.425 279 H HN 0.568 nan 8.280 nan 0.000 0.606 280 E N 2.040 122.010 120.200 -0.384 0.000 2.166 280 E HA 0.178 4.528 4.350 -0.000 0.000 0.275 280 E C -1.285 174.899 176.600 -0.692 0.000 0.941 280 E CA -0.792 55.195 56.400 -0.688 0.000 0.784 280 E CB 1.208 30.635 29.700 -0.455 0.000 1.115 280 E HN 0.523 nan 8.360 nan 0.000 0.399 281 W N 4.103 124.993 121.300 -0.684 0.000 2.573 281 W HA 0.306 4.964 4.660 -0.003 0.000 0.326 281 W C -1.016 175.324 176.519 -0.299 0.000 1.049 281 W CA -0.359 56.791 57.345 -0.325 0.000 1.220 281 W CB 1.344 30.727 29.460 -0.129 0.000 1.373 281 W HN 0.476 nan 8.180 nan 0.000 0.507 282 Q N 4.651 124.067 119.800 -0.640 0.000 2.365 282 Q HA 0.316 4.655 4.340 -0.000 0.000 0.269 282 Q C -1.846 173.681 176.000 -0.788 0.000 1.061 282 Q CA -1.146 54.311 55.803 -0.578 0.000 0.816 282 Q CB 3.117 31.477 28.738 -0.630 0.000 1.325 282 Q HN 0.513 nan 8.270 nan 0.000 0.446 283 Y N 1.209 121.211 120.300 -0.496 0.000 2.361 283 Y HA 0.379 4.929 4.550 -0.001 0.000 0.337 283 Y C -1.752 174.017 175.900 -0.217 0.000 0.965 283 Y CA -1.075 56.882 58.100 -0.238 0.000 1.091 283 Y CB 1.043 39.591 38.460 0.147 0.000 1.182 283 Y HN 0.550 nan 8.280 nan 0.000 0.450 284 Y N 7.417 127.234 120.300 -0.805 0.000 2.477 284 Y HA 0.274 4.824 4.550 -0.001 0.000 0.349 284 Y C 0.955 176.444 175.900 -0.685 0.000 0.977 284 Y CA -0.183 57.620 58.100 -0.495 0.000 1.214 284 Y CB 0.547 38.840 38.460 -0.278 0.000 1.124 284 Y HN 0.667 nan 8.280 nan 0.000 0.521 285 I N 1.125 121.577 120.570 -0.197 0.000 2.277 285 I HA -0.114 4.055 4.170 -0.000 0.000 0.243 285 I C 0.628 176.807 176.117 0.103 0.000 1.094 285 I CA 0.900 62.231 61.300 0.051 0.000 1.393 285 I CB 0.026 38.136 38.000 0.184 0.000 1.078 285 I HN 0.557 nan 8.210 nan 0.000 0.417 286 S N -0.726 115.046 115.700 0.120 0.000 2.570 286 S HA 0.743 5.213 4.470 -0.000 0.000 0.270 286 S C -0.307 174.385 174.600 0.153 0.000 1.149 286 S CA -0.196 58.081 58.200 0.128 0.000 0.837 286 S CB 1.801 65.075 63.200 0.123 0.000 1.124 286 S HN 0.662 nan 8.310 nan 0.000 0.465 287 G N 1.113 109.988 108.800 0.124 0.000 2.627 287 G HA2 0.075 4.035 3.960 -0.000 0.000 0.214 287 G HA3 0.075 4.035 3.960 -0.000 0.000 0.214 287 G C -1.529 173.432 174.900 0.102 0.000 1.331 287 G CA -0.583 44.590 45.100 0.122 0.000 0.891 287 G HN 0.889 nan 8.290 nan 0.000 0.539 288 K N -0.265 120.190 120.400 0.092 0.000 2.468 288 K HA 0.742 5.062 4.320 -0.000 0.000 0.252 288 K C -0.088 176.548 176.600 0.059 0.000 0.932 288 K CA -0.092 56.221 56.287 0.042 0.000 0.794 288 K CB 2.216 34.733 32.500 0.029 0.000 1.241 288 K HN 1.335 nan 8.250 nan 0.000 0.428 289 A N 2.327 125.149 122.820 0.004 0.000 2.479 289 A HA 0.780 5.100 4.320 -0.000 0.000 0.296 289 A C -1.214 176.393 177.584 0.037 0.000 1.121 289 A CA -0.945 51.119 52.037 0.045 0.000 0.743 289 A CB 1.420 20.438 19.000 0.031 0.000 1.323 289 A HN 0.878 nan 8.150 nan 0.000 0.415 290 R N 0.285 120.845 120.500 0.100 0.000 2.807 290 R HA 0.866 5.206 4.340 -0.000 0.000 0.276 290 R C -1.018 175.331 176.300 0.081 0.000 0.979 290 R CA -0.696 55.465 56.100 0.102 0.000 0.928 290 R CB 1.730 32.092 30.300 0.104 0.000 1.191 290 R HN 0.812 nan 8.270 nan 0.000 0.471 291 M N 1.816 121.438 119.600 0.038 0.000 2.324 291 M HA 0.350 4.829 4.480 -0.000 0.000 0.288 291 M C -1.630 174.593 176.300 -0.128 0.000 1.097 291 M CA -0.293 54.867 55.300 -0.232 0.000 0.928 291 M CB 2.987 35.597 32.600 0.016 0.000 1.648 291 M HN 0.798 nan 8.290 nan 0.000 0.460 292 T N 3.766 118.096 114.554 -0.374 0.000 2.767 292 T HA 0.516 4.866 4.350 -0.000 0.000 0.284 292 T C -0.639 174.153 174.700 0.153 0.000 0.973 292 T CA -0.491 61.650 62.100 0.068 0.000 0.996 292 T CB 1.251 70.304 68.868 0.308 0.000 0.927 292 T HN 0.488 nan 8.240 nan 0.000 0.456 293 V N 4.627 124.697 119.914 0.259 0.000 2.370 293 V HA 0.401 4.521 4.120 -0.000 0.000 0.279 293 V C -0.478 175.801 176.094 0.309 0.000 1.029 293 V CA -0.853 61.608 62.300 0.269 0.000 0.870 293 V CB 0.597 32.572 31.823 0.253 0.000 0.984 293 V HN 0.805 nan 8.190 nan 0.000 0.451 294 F N 5.206 125.258 119.950 0.169 0.000 2.385 294 F HA 0.672 5.201 4.527 0.003 0.000 0.360 294 F C 0.657 176.519 175.800 0.103 0.000 1.122 294 F CA -0.866 57.219 58.000 0.141 0.000 1.090 294 F CB 1.421 40.500 39.000 0.133 0.000 1.150 294 F HN 0.490 nan 8.300 nan 0.000 0.472 295 A N 4.578 127.077 122.820 -0.535 0.000 2.387 295 A HA 0.492 4.812 4.320 -0.000 0.000 0.234 295 A C 0.661 177.897 177.584 -0.580 0.000 1.253 295 A CA 0.522 52.315 52.037 -0.405 0.000 0.894 295 A CB -1.083 17.848 19.000 -0.115 0.000 0.963 295 A HN 1.717 nan 8.150 nan 0.000 0.508 296 S N -1.186 113.825 115.700 -1.148 0.000 3.860 296 S HA -0.104 4.365 4.470 -0.000 0.000 0.712 296 S C -0.139 174.354 174.600 -0.178 0.000 1.287 296 S CA 0.884 58.691 58.200 -0.656 0.000 1.330 296 S CB -1.459 61.528 63.200 -0.355 0.000 0.442 296 S HN 1.750 nan 8.310 nan 0.000 0.798 297 D N 0.260 120.674 120.400 0.022 0.000 2.751 297 D HA -0.055 4.585 4.640 -0.000 0.000 0.233 297 D C 1.332 177.828 176.300 0.326 0.000 1.149 297 D CA 3.365 57.450 54.000 0.141 0.000 0.682 297 D CB -1.594 39.245 40.800 0.065 0.000 1.068 297 D HN 2.452 nan 8.370 nan 0.000 0.429 298 G N -0.373 108.627 108.800 0.333 0.000 2.168 298 G HA2 -0.341 3.618 3.960 -0.000 0.000 0.257 298 G HA3 -0.341 3.618 3.960 -0.000 0.000 0.257 298 G C 0.040 175.141 174.900 0.336 0.000 0.997 298 G CA 0.569 45.852 45.100 0.305 0.000 0.708 298 G HN 0.712 nan 8.290 nan 0.000 0.520 299 H N 0.300 119.493 119.070 0.206 0.000 2.467 299 H HA 0.753 5.310 4.556 0.002 0.000 0.326 299 H C 0.417 175.860 175.328 0.191 0.000 1.094 299 H CA 0.442 56.593 56.048 0.172 0.000 1.253 299 H CB 1.798 31.588 29.762 0.046 0.000 1.439 299 H HN 0.808 nan 8.280 nan 0.000 0.479 300 A N 3.259 126.251 122.820 0.286 0.000 2.566 300 A HA 0.708 5.028 4.320 -0.000 0.000 0.297 300 A C -1.029 176.648 177.584 0.155 0.000 1.059 300 A CA -0.750 51.453 52.037 0.278 0.000 0.691 300 A CB 1.615 20.828 19.000 0.354 0.000 1.282 300 A HN 0.689 nan 8.150 nan 0.000 0.401 301 R N 0.778 121.358 120.500 0.133 0.000 2.604 301 R HA 0.665 5.004 4.340 -0.000 0.000 0.281 301 R C -1.334 174.885 176.300 -0.136 0.000 1.020 301 R CA -0.202 55.864 56.100 -0.058 0.000 0.899 301 R CB 2.085 32.311 30.300 -0.124 0.000 1.205 301 R HN 0.709 nan 8.270 nan 0.000 0.450 302 T N 3.916 118.289 114.554 -0.303 0.000 2.829 302 T HA 0.544 4.893 4.350 -0.000 0.000 0.282 302 T C -1.028 173.340 174.700 -0.553 0.000 0.990 302 T CA -0.085 61.888 62.100 -0.213 0.000 1.028 302 T CB 0.486 69.314 68.868 -0.067 0.000 0.951 302 T HN 0.267 nan 8.240 nan 0.000 0.460 303 F N 1.390 121.289 119.950 -0.085 0.000 2.577 303 F HA 0.489 5.016 4.527 -0.000 0.000 0.318 303 F C 0.477 176.034 175.800 -0.405 0.000 1.065 303 F CA -1.110 56.726 58.000 -0.274 0.000 0.929 303 F CB 1.770 40.565 39.000 -0.341 0.000 1.237 303 F HN 0.432 nan 8.300 nan 0.000 0.468 304 N N 0.412 118.874 118.700 -0.397 0.000 2.417 304 N HA 0.598 5.338 4.740 -0.000 0.000 0.300 304 N C -1.844 173.165 175.510 -0.835 0.000 1.102 304 N CA -0.624 52.175 53.050 -0.418 0.000 0.886 304 N CB 1.413 39.754 38.487 -0.242 0.000 1.203 304 N HN 0.400 nan 8.380 nan 0.000 0.496 305 Y N -0.113 119.978 120.300 -0.348 0.000 2.524 305 Y HA 0.378 4.927 4.550 -0.002 0.000 0.347 305 Y C -0.195 175.425 175.900 -0.467 0.000 1.005 305 Y CA -0.852 56.890 58.100 -0.598 0.000 1.025 305 Y CB 1.825 39.400 38.460 -1.476 0.000 1.275 305 Y HN 0.464 nan 8.280 nan 0.000 0.460 306 Q N 0.825 120.518 119.800 -0.179 0.000 2.693 306 Q HA 0.885 5.224 4.340 -0.000 0.000 0.306 306 Q C -1.214 174.790 176.000 0.007 0.000 0.969 306 Q CA -1.587 54.175 55.803 -0.068 0.000 0.757 306 Q CB 1.861 30.576 28.738 -0.037 0.000 1.494 306 Q HN 0.797 nan 8.270 nan 0.000 0.459 307 A N -0.039 122.810 122.820 0.050 0.000 2.584 307 A HA 0.363 4.683 4.320 -0.000 0.000 0.239 307 A C 1.244 178.884 177.584 0.093 0.000 1.043 307 A CA 1.331 53.406 52.037 0.062 0.000 0.756 307 A CB -1.326 17.727 19.000 0.088 0.000 0.963 307 A HN 1.742 nan 8.150 nan 0.000 0.511 308 G N 2.045 110.914 108.800 0.114 0.000 2.194 308 G HA2 -0.170 3.789 3.960 -0.000 0.000 0.236 308 G HA3 -0.170 3.789 3.960 -0.000 0.000 0.236 308 G C -0.147 175.030 174.900 0.461 0.000 0.987 308 G CA 0.300 45.628 45.100 0.381 0.000 0.635 308 G HN 0.838 nan 8.290 nan 0.000 0.520 309 D N 0.190 120.719 120.400 0.215 0.000 2.225 309 D HA 0.579 5.219 4.640 -0.000 0.000 0.249 309 D C 0.334 176.791 176.300 0.262 0.000 1.052 309 D CA -0.202 53.934 54.000 0.226 0.000 0.909 309 D CB 2.054 42.957 40.800 0.170 0.000 1.186 309 D HN 0.119 nan 8.370 nan 0.000 0.431 310 V N 1.122 121.138 119.914 0.170 0.000 2.472 310 V HA 0.743 4.863 4.120 -0.000 0.000 0.290 310 V C 0.849 176.884 176.094 -0.098 0.000 1.037 310 V CA -0.422 61.814 62.300 -0.106 0.000 0.908 310 V CB 1.661 33.382 31.823 -0.170 0.000 0.985 310 V HN 0.632 nan 8.190 nan 0.000 0.454 311 G N 2.366 110.956 108.800 -0.351 0.000 2.816 311 G HA2 0.707 4.667 3.960 -0.000 0.000 0.288 311 G HA3 0.707 4.667 3.960 -0.000 0.000 0.288 311 G C -2.215 172.509 174.900 -0.293 0.000 1.334 311 G CA -0.551 44.381 45.100 -0.280 0.000 0.978 311 G HN 0.504 nan 8.290 nan 0.000 0.493 312 Y N -1.158 118.937 120.300 -0.342 0.000 2.558 312 Y HA 0.512 5.062 4.550 0.001 0.000 0.333 312 Y C -1.195 174.577 175.900 -0.213 0.000 1.125 312 Y CA -0.722 57.222 58.100 -0.259 0.000 1.039 312 Y CB 2.401 40.750 38.460 -0.185 0.000 1.331 312 Y HN 0.476 nan 8.280 nan 0.000 0.456 313 V N 6.175 125.827 119.914 -0.437 0.000 2.462 313 V HA 0.375 4.494 4.120 -0.000 0.000 0.288 313 V C -2.528 173.449 176.094 -0.196 0.000 1.020 313 V CA -1.925 60.202 62.300 -0.288 0.000 0.857 313 V CB 1.383 32.900 31.823 -0.510 0.000 1.013 313 V HN 0.576 nan 8.190 nan 0.000 0.431 314 P HA 0.036 nan 4.420 nan 0.000 0.267 314 P C -0.033 177.456 177.300 0.314 0.000 1.200 314 P CA -0.240 63.081 63.100 0.367 0.000 0.772 314 P CB 0.294 32.189 31.700 0.326 0.000 0.855 315 F N 3.563 123.593 119.950 0.132 0.000 2.395 315 F HA -0.033 4.491 4.527 -0.004 0.000 0.421 315 F C 1.283 177.087 175.800 0.007 0.000 0.942 315 F CA 0.726 58.667 58.000 -0.099 0.000 1.107 315 F CB -1.405 37.356 39.000 -0.398 0.000 0.895 315 F HN 0.690 nan 8.300 nan 0.000 0.522 316 A N 4.504 127.546 122.820 0.370 0.000 3.396 316 A HA -0.307 4.013 4.320 -0.000 0.000 0.267 316 A C 0.907 178.494 177.584 0.005 0.000 1.139 316 A CA 1.059 53.181 52.037 0.142 0.000 1.115 316 A CB -2.402 16.425 19.000 -0.287 0.000 1.133 316 A HN 0.694 nan 8.150 nan 0.000 0.920 317 M N 0.364 120.015 119.600 0.084 0.000 2.245 317 M HA 0.371 4.851 4.480 -0.000 0.000 0.344 317 M C 1.155 177.634 176.300 0.298 0.000 1.170 317 M CA 0.880 56.222 55.300 0.070 0.000 1.135 317 M CB 0.482 33.110 32.600 0.046 0.000 1.574 317 M HN 0.631 nan 8.290 nan 0.000 0.452 318 G N 2.679 111.673 108.800 0.324 0.000 2.432 318 G HA2 0.431 4.390 3.960 -0.000 0.000 0.257 318 G HA3 0.431 4.390 3.960 -0.000 0.000 0.257 318 G C -0.620 174.555 174.900 0.458 0.000 1.238 318 G CA -0.301 45.059 45.100 0.433 0.000 0.838 318 G HN 0.926 nan 8.290 nan 0.000 0.547 319 H N -0.312 118.834 119.070 0.126 0.000 2.967 319 H HA 0.538 5.094 4.556 0.001 0.000 0.318 319 H C -1.719 173.694 175.328 0.142 0.000 1.375 319 H CA -1.176 54.917 56.048 0.076 0.000 1.132 319 H CB 1.081 30.835 29.762 -0.014 0.000 1.848 319 H HN 0.770 nan 8.280 nan 0.000 0.524 320 Y N -1.081 119.335 120.300 0.193 0.000 2.625 320 Y HA 0.666 5.216 4.550 0.001 0.000 0.338 320 Y C -1.963 174.095 175.900 0.264 0.000 1.123 320 Y CA -1.233 56.996 58.100 0.215 0.000 1.046 320 Y CB 1.375 39.945 38.460 0.183 0.000 1.299 320 Y HN 0.431 nan 8.280 nan 0.000 0.464 321 V N 1.926 122.041 119.914 0.336 0.000 2.419 321 V HA 0.342 4.462 4.120 -0.000 0.000 0.287 321 V C -0.724 175.583 176.094 0.355 0.000 1.017 321 V CA -0.751 61.667 62.300 0.198 0.000 0.844 321 V CB 1.202 33.035 31.823 0.017 0.000 1.011 321 V HN 0.855 nan 8.190 nan 0.000 0.429 322 E N 3.979 124.406 120.200 0.378 0.000 2.174 322 E HA 0.259 4.609 4.350 -0.000 0.000 0.282 322 E C -0.194 176.545 176.600 0.232 0.000 0.992 322 E CA -0.670 55.930 56.400 0.334 0.000 0.803 322 E CB 0.904 30.825 29.700 0.369 0.000 1.090 322 E HN 0.665 nan 8.360 nan 0.000 0.396 323 N N 4.795 123.619 118.700 0.206 0.000 2.431 323 N HA 0.007 4.747 4.740 -0.000 0.000 0.265 323 N C 0.319 175.905 175.510 0.127 0.000 1.184 323 N CA 0.083 53.233 53.050 0.168 0.000 0.943 323 N CB 0.406 38.990 38.487 0.161 0.000 1.080 323 N HN 0.624 nan 8.380 nan 0.000 0.477 324 I N 0.569 121.202 120.570 0.105 0.000 3.927 324 I HA 0.521 4.691 4.170 -0.000 0.000 0.332 324 I C 0.665 176.817 176.117 0.059 0.000 1.485 324 I CA -0.664 60.682 61.300 0.077 0.000 1.131 324 I CB 0.334 38.374 38.000 0.066 0.000 1.092 324 I HN 0.287 nan 8.210 nan 0.000 0.410 325 G N 1.317 110.158 108.800 0.067 0.000 3.108 325 G HA2 0.379 4.339 3.960 -0.000 0.000 0.268 325 G HA3 0.379 4.339 3.960 -0.000 0.000 0.268 325 G C -0.512 174.422 174.900 0.057 0.000 1.361 325 G CA 0.048 45.181 45.100 0.056 0.000 1.047 325 G HN 0.299 nan 8.290 nan 0.000 0.540 326 D N -1.301 119.130 120.400 0.051 0.000 2.369 326 D HA 0.143 4.783 4.640 -0.000 0.000 0.211 326 D C 0.288 176.620 176.300 0.053 0.000 1.077 326 D CA 0.206 54.234 54.000 0.048 0.000 0.842 326 D CB 0.515 41.337 40.800 0.038 0.000 0.947 326 D HN 0.201 nan 8.370 nan 0.000 0.509 327 E N 0.658 120.894 120.200 0.061 0.000 2.264 327 E HA 0.414 4.764 4.350 -0.000 0.000 0.260 327 E C -2.552 174.098 176.600 0.083 0.000 0.961 327 E CA -2.331 54.109 56.400 0.067 0.000 0.834 327 E CB 0.796 30.536 29.700 0.067 0.000 1.230 327 E HN -0.047 nan 8.360 nan 0.000 0.412 328 P HA -0.003 nan 4.420 nan 0.000 0.266 328 P C -0.478 176.899 177.300 0.128 0.000 1.195 328 P CA -0.142 63.019 63.100 0.101 0.000 0.768 328 P CB 0.288 32.042 31.700 0.090 0.000 0.838 329 L N 5.009 126.329 121.223 0.162 0.000 2.282 329 L HA 0.478 4.817 4.340 -0.000 0.000 0.288 329 L C -1.129 175.880 176.870 0.233 0.000 1.033 329 L CA -0.242 54.736 54.840 0.231 0.000 0.807 329 L CB 1.153 43.389 42.059 0.295 0.000 1.209 329 L HN 0.052 nan 8.230 nan 0.000 0.423 330 V N 6.865 126.912 119.914 0.222 0.000 2.483 330 V HA 0.620 4.739 4.120 -0.000 0.000 0.297 330 V C -0.528 175.645 176.094 0.130 0.000 1.027 330 V CA -0.415 61.950 62.300 0.109 0.000 0.855 330 V CB 1.088 32.958 31.823 0.078 0.000 0.995 330 V HN 0.732 nan 8.190 nan 0.000 0.424 331 F N 3.345 123.226 119.950 -0.116 0.000 2.662 331 F HA 0.868 5.395 4.527 -0.001 0.000 0.312 331 F C -1.613 174.049 175.800 -0.230 0.000 1.113 331 F CA -1.348 56.468 58.000 -0.308 0.000 0.951 331 F CB 1.601 40.179 39.000 -0.703 0.000 1.344 331 F HN 0.248 nan 8.300 nan 0.000 0.462 332 L N 1.696 122.883 121.223 -0.060 0.000 2.325 332 L HA 0.528 4.867 4.340 -0.000 0.000 0.278 332 L C -0.832 176.055 176.870 0.028 0.000 1.023 332 L CA -0.684 54.122 54.840 -0.056 0.000 0.811 332 L CB 1.996 44.083 42.059 0.047 0.000 1.249 332 L HN 0.689 nan 8.230 nan 0.000 0.431 333 E N 4.275 124.478 120.200 0.005 0.000 2.129 333 E HA 0.505 4.855 4.350 -0.000 0.000 0.268 333 E C -1.081 175.359 176.600 -0.266 0.000 0.900 333 E CA -0.590 55.778 56.400 -0.055 0.000 0.755 333 E CB 2.136 31.985 29.700 0.248 0.000 1.117 333 E HN 0.250 nan 8.360 nan 0.000 0.410 334 I N 3.441 123.681 120.570 -0.549 0.000 2.509 334 I HA 0.446 4.616 4.170 -0.000 0.000 0.293 334 I C -0.659 174.907 176.117 -0.919 0.000 1.020 334 I CA -0.802 60.156 61.300 -0.569 0.000 1.088 334 I CB 0.781 38.563 38.000 -0.363 0.000 1.267 334 I HN 0.471 nan 8.210 nan 0.000 0.430 335 F N 3.491 123.301 119.950 -0.235 0.000 2.556 335 F HA 0.390 4.916 4.527 -0.001 0.000 0.314 335 F C 0.533 176.209 175.800 -0.207 0.000 1.106 335 F CA -0.900 56.965 58.000 -0.225 0.000 0.911 335 F CB 1.863 40.688 39.000 -0.292 0.000 1.190 335 F HN 0.284 nan 8.300 nan 0.000 0.448 336 K N 2.997 123.393 120.400 -0.007 0.000 2.150 336 K HA 0.246 4.566 4.320 -0.000 0.000 0.261 336 K C -1.351 175.226 176.600 -0.039 0.000 1.127 336 K CA 0.209 56.484 56.287 -0.020 0.000 0.989 336 K CB -0.109 32.396 32.500 0.008 0.000 1.475 336 K HN 0.690 nan 8.250 nan 0.000 0.391 337 D N 0.803 121.166 120.400 -0.061 0.000 2.671 337 D HA -0.005 4.634 4.640 -0.000 0.000 0.273 337 D C -0.432 175.811 176.300 -0.094 0.000 1.264 337 D CA -0.408 53.527 54.000 -0.109 0.000 0.788 337 D CB 1.311 41.959 40.800 -0.253 0.000 1.324 337 D HN 0.477 nan 8.370 nan 0.000 0.424 338 D N -0.676 119.701 120.400 -0.039 0.000 2.340 338 D HA -0.003 4.636 4.640 -0.000 0.000 0.220 338 D C 0.431 176.769 176.300 0.063 0.000 1.039 338 D CA 0.749 54.744 54.000 -0.008 0.000 0.866 338 D CB -0.110 40.695 40.800 0.009 0.000 0.913 338 D HN 0.468 nan 8.370 nan 0.000 0.523 339 H N -3.036 115.973 119.070 -0.101 0.000 3.042 339 H HA 0.333 4.889 4.556 -0.000 0.000 0.346 339 H C -1.937 173.313 175.328 -0.129 0.000 1.294 339 H CA -1.136 54.859 56.048 -0.087 0.000 1.141 339 H CB 0.155 29.866 29.762 -0.086 0.000 1.872 339 H HN -0.048 nan 8.280 nan 0.000 0.541 340 Y N 1.537 121.688 120.300 -0.248 0.000 2.308 340 Y HA 0.599 5.149 4.550 0.000 0.000 0.329 340 Y C -0.992 174.765 175.900 -0.239 0.000 1.111 340 Y CA 0.209 58.075 58.100 -0.389 0.000 1.179 340 Y CB 0.882 39.214 38.460 -0.214 0.000 1.201 340 Y HN 0.945 nan 8.280 nan 0.000 0.483 341 A N 5.399 127.679 122.820 -0.901 0.000 2.547 341 A HA 0.572 4.891 4.320 -0.000 0.000 0.297 341 A C -1.951 175.335 177.584 -0.496 0.000 1.056 341 A CA -0.626 51.161 52.037 -0.417 0.000 0.688 341 A CB 1.205 20.119 19.000 -0.143 0.000 1.282 341 A HN 0.749 nan 8.150 nan 0.000 0.400 342 D N 0.344 120.570 120.400 -0.290 0.000 2.596 342 D HA 0.560 5.200 4.640 -0.000 0.000 0.234 342 D C -1.362 174.698 176.300 -0.400 0.000 1.181 342 D CA -0.557 53.244 54.000 -0.331 0.000 0.856 342 D CB 1.589 42.259 40.800 -0.216 0.000 1.498 342 D HN 0.360 nan 8.370 nan 0.000 0.446 343 V N 0.754 120.254 119.914 -0.691 0.000 2.409 343 V HA 0.452 4.572 4.120 -0.000 0.000 0.291 343 V C 0.244 175.962 176.094 -0.628 0.000 1.020 343 V CA -0.822 60.981 62.300 -0.829 0.000 0.848 343 V CB 1.228 32.104 31.823 -1.579 0.000 0.990 343 V HN 0.702 nan 8.190 nan 0.000 0.430 344 S N 4.122 119.647 115.700 -0.291 0.000 2.513 344 S HA 0.278 4.748 4.470 -0.000 0.000 0.276 344 S C 0.860 175.501 174.600 0.068 0.000 1.254 344 S CA -0.572 57.583 58.200 -0.074 0.000 1.053 344 S CB 0.980 64.155 63.200 -0.041 0.000 0.958 344 S HN 0.669 nan 8.310 nan 0.000 0.491 345 L N 5.763 127.112 121.223 0.210 0.000 2.012 345 L HA -0.068 4.272 4.340 -0.000 0.000 0.210 345 L C 2.276 179.305 176.870 0.266 0.000 1.073 345 L CA 2.081 57.157 54.840 0.393 0.000 0.748 345 L CB -1.258 41.016 42.059 0.358 0.000 0.891 345 L HN 0.866 nan 8.230 nan 0.000 0.431 346 N N -0.318 118.479 118.700 0.162 0.000 2.043 346 N HA -0.294 4.446 4.740 -0.000 0.000 0.193 346 N C 1.973 177.530 175.510 0.079 0.000 1.037 346 N CA 2.126 55.232 53.050 0.093 0.000 0.851 346 N CB -0.289 38.242 38.487 0.073 0.000 1.027 346 N HN 0.660 nan 8.380 nan 0.000 0.422 347 Q N -1.148 118.700 119.800 0.080 0.000 2.124 347 Q HA -0.162 4.177 4.340 -0.000 0.000 0.202 347 Q C 1.956 178.044 176.000 0.145 0.000 0.977 347 Q CA 1.392 57.232 55.803 0.062 0.000 0.850 347 Q CB -0.372 28.369 28.738 0.006 0.000 0.901 347 Q HN 0.514 nan 8.270 nan 0.000 0.429 348 W N 1.287 122.575 121.300 -0.020 0.000 2.317 348 W HA -0.235 4.425 4.660 0.001 0.000 0.318 348 W C 1.520 178.065 176.519 0.044 0.000 1.227 348 W CA 1.656 59.011 57.345 0.015 0.000 1.269 348 W CB -0.785 28.706 29.460 0.051 0.000 1.155 348 W HN 0.182 nan 8.180 nan 0.000 0.484 349 L N 0.629 121.820 121.223 -0.053 0.000 2.141 349 L HA -0.101 4.238 4.340 -0.000 0.000 0.209 349 L C 2.637 179.469 176.870 -0.063 0.000 1.094 349 L CA 1.192 55.899 54.840 -0.222 0.000 0.763 349 L CB -1.430 40.517 42.059 -0.187 0.000 0.908 349 L HN 0.077 nan 8.230 nan 0.000 0.437 350 A N -0.479 122.336 122.820 -0.010 0.000 2.019 350 A HA -0.137 4.182 4.320 -0.000 0.000 0.219 350 A C 2.045 179.640 177.584 0.018 0.000 1.164 350 A CA 1.236 53.270 52.037 -0.005 0.000 0.644 350 A CB -0.216 18.782 19.000 -0.004 0.000 0.805 350 A HN 0.301 nan 8.150 nan 0.000 0.449 351 M N -0.395 119.236 119.600 0.051 0.000 2.453 351 M HA 0.368 4.848 4.480 -0.000 0.000 0.239 351 M C -0.205 176.140 176.300 0.074 0.000 1.151 351 M CA 0.322 55.661 55.300 0.065 0.000 0.989 351 M CB -0.846 31.809 32.600 0.091 0.000 1.548 351 M HN 0.212 nan 8.290 nan 0.000 0.479 352 L N 0.344 121.605 121.223 0.063 0.000 2.322 352 L HA 0.486 4.825 4.340 -0.000 0.000 0.269 352 L C -2.007 174.906 176.870 0.073 0.000 1.012 352 L CA -2.037 52.851 54.840 0.081 0.000 0.815 352 L CB 0.897 43.025 42.059 0.113 0.000 1.295 352 L HN -0.081 nan 8.230 nan 0.000 0.438 353 P HA -0.008 nan 4.420 nan 0.000 0.264 353 P C 0.215 177.590 177.300 0.125 0.000 1.193 353 P CA -0.141 63.006 63.100 0.078 0.000 0.763 353 P CB 0.442 32.170 31.700 0.048 0.000 0.810 354 E N 1.746 121.995 120.200 0.082 0.000 2.110 354 E HA -0.218 4.131 4.350 -0.000 0.000 0.193 354 E C 1.086 177.748 176.600 0.103 0.000 0.988 354 E CA 1.869 58.315 56.400 0.078 0.000 0.804 354 E CB -0.892 28.836 29.700 0.048 0.000 0.745 354 E HN 0.508 nan 8.360 nan 0.000 0.458 355 T N -1.639 112.983 114.554 0.114 0.000 2.951 355 T HA -0.123 4.226 4.350 -0.000 0.000 0.268 355 T C 1.630 176.440 174.700 0.183 0.000 1.073 355 T CA 0.670 62.841 62.100 0.119 0.000 1.134 355 T CB -0.456 68.471 68.868 0.097 0.000 0.884 355 T HN 0.215 nan 8.240 nan 0.000 0.479 356 F N 2.183 122.166 119.950 0.055 0.000 2.146 356 F HA 0.080 4.607 4.527 -0.001 0.000 0.298 356 F C 2.275 178.172 175.800 0.162 0.000 1.096 356 F CA 0.415 58.477 58.000 0.103 0.000 1.275 356 F CB -0.547 38.500 39.000 0.079 0.000 1.008 356 F HN -0.003 nan 8.300 nan 0.000 0.480 357 V N 0.307 120.285 119.914 0.107 0.000 2.343 357 V HA -0.333 3.787 4.120 -0.000 0.000 0.247 357 V C 2.288 178.387 176.094 0.007 0.000 1.051 357 V CA 2.234 64.512 62.300 -0.036 0.000 1.036 357 V CB -0.891 30.926 31.823 -0.009 0.000 0.654 357 V HN 0.362 nan 8.190 nan 0.000 0.451 358 Q N -0.132 119.696 119.800 0.048 0.000 2.135 358 Q HA -0.178 4.162 4.340 -0.000 0.000 0.204 358 Q C 2.380 178.371 176.000 -0.015 0.000 0.981 358 Q CA 1.773 57.593 55.803 0.027 0.000 0.856 358 Q CB -0.431 28.334 28.738 0.046 0.000 0.902 358 Q HN 0.689 nan 8.270 nan 0.000 0.425 359 A N 0.161 122.968 122.820 -0.021 0.000 1.969 359 A HA -0.205 4.114 4.320 -0.000 0.000 0.218 359 A C 1.426 178.894 177.584 -0.193 0.000 1.169 359 A CA 1.567 53.547 52.037 -0.096 0.000 0.635 359 A CB -0.527 18.410 19.000 -0.104 0.000 0.810 359 A HN 0.354 nan 8.150 nan 0.000 0.445 360 H N -0.502 118.421 119.070 -0.246 0.000 2.333 360 H HA 0.121 4.677 4.556 -0.001 0.000 0.302 360 H C 1.662 176.876 175.328 -0.190 0.000 1.075 360 H CA 1.768 57.669 56.048 -0.245 0.000 1.348 360 H CB -0.061 29.508 29.762 -0.323 0.000 1.393 360 H HN 0.363 nan 8.280 nan 0.000 0.509 361 L N -0.182 121.003 121.223 -0.063 0.000 2.567 361 L HA 0.029 4.369 4.340 -0.000 0.000 0.225 361 L C -0.039 176.742 176.870 -0.147 0.000 1.119 361 L CA 0.093 54.848 54.840 -0.141 0.000 0.871 361 L CB 0.269 42.189 42.059 -0.233 0.000 1.036 361 L HN 0.239 nan 8.230 nan 0.000 0.459 362 D N 0.812 121.148 120.400 -0.108 0.000 2.837 362 D HA -0.168 4.472 4.640 -0.000 0.000 0.230 362 D C -0.284 175.960 176.300 -0.094 0.000 1.152 362 D CA 0.944 54.889 54.000 -0.091 0.000 0.736 362 D CB -1.429 39.317 40.800 -0.090 0.000 1.084 362 D HN 0.256 nan 8.370 nan 0.000 0.429 363 L N -1.083 120.082 121.223 -0.098 0.000 2.279 363 L HA 0.807 5.147 4.340 -0.000 0.000 0.262 363 L C 1.434 178.307 176.870 0.004 0.000 1.019 363 L CA -0.775 54.019 54.840 -0.077 0.000 0.823 363 L CB 1.909 43.856 42.059 -0.187 0.000 1.358 363 L HN 0.022 nan 8.230 nan 0.000 0.432 364 G N -0.688 108.140 108.800 0.046 0.000 2.828 364 G HA2 0.265 4.225 3.960 -0.000 0.000 0.244 364 G HA3 0.265 4.225 3.960 -0.000 0.000 0.244 364 G C 0.264 175.221 174.900 0.095 0.000 1.365 364 G CA -0.393 44.742 45.100 0.058 0.000 1.041 364 G HN 0.631 nan 8.290 nan 0.000 0.560 365 K N -0.731 119.708 120.400 0.064 0.000 2.152 365 K HA -0.113 4.206 4.320 -0.000 0.000 0.206 365 K C 1.683 178.313 176.600 0.051 0.000 1.048 365 K CA 1.693 58.011 56.287 0.052 0.000 0.933 365 K CB -0.028 32.491 32.500 0.031 0.000 0.721 365 K HN 0.349 nan 8.250 nan 0.000 0.447 366 D N -0.301 120.136 120.400 0.062 0.000 2.218 366 D HA -0.164 4.476 4.640 -0.000 0.000 0.204 366 D C 1.423 177.770 176.300 0.078 0.000 0.976 366 D CA 0.815 54.848 54.000 0.055 0.000 0.853 366 D CB -0.084 40.750 40.800 0.057 0.000 0.939 366 D HN 0.205 nan 8.370 nan 0.000 0.481 367 F N 1.403 121.344 119.950 -0.015 0.000 2.118 367 F HA -0.128 4.399 4.527 -0.001 0.000 0.293 367 F C 2.463 178.252 175.800 -0.018 0.000 1.102 367 F CA 1.786 59.774 58.000 -0.019 0.000 1.247 367 F CB -0.668 38.316 39.000 -0.026 0.000 1.017 367 F HN -0.053 nan 8.300 nan 0.000 0.475 368 T N -2.504 112.058 114.554 0.014 0.000 2.929 368 T HA -0.162 4.188 4.350 -0.000 0.000 0.271 368 T C 1.491 176.104 174.700 -0.144 0.000 1.085 368 T CA 1.407 63.453 62.100 -0.090 0.000 1.125 368 T CB -0.644 68.247 68.868 0.039 0.000 0.874 368 T HN 0.172 nan 8.240 nan 0.000 0.494 369 D N 1.502 121.839 120.400 -0.105 0.000 2.263 369 D HA -0.057 4.583 4.640 -0.000 0.000 0.208 369 D C 2.263 178.485 176.300 -0.130 0.000 0.971 369 D CA 1.181 55.128 54.000 -0.088 0.000 0.867 369 D CB -0.189 40.581 40.800 -0.049 0.000 0.929 369 D HN 0.573 nan 8.370 nan 0.000 0.492 370 V N -1.511 118.269 119.914 -0.223 0.000 3.306 370 V HA 0.094 4.214 4.120 -0.000 0.000 0.264 370 V C 1.011 176.981 176.094 -0.208 0.000 1.149 370 V CA 0.045 62.215 62.300 -0.216 0.000 1.143 370 V CB -0.751 30.920 31.823 -0.254 0.000 0.767 370 V HN -0.052 nan 8.190 nan 0.000 0.476 371 L N 1.817 122.894 121.223 -0.243 0.000 2.461 371 L HA 0.353 4.693 4.340 -0.000 0.000 0.272 371 L C 0.518 177.347 176.870 -0.068 0.000 1.197 371 L CA 0.697 55.437 54.840 -0.167 0.000 0.836 371 L CB 0.907 42.866 42.059 -0.167 0.000 1.105 371 L HN 0.288 nan 8.230 nan 0.000 0.477 372 S N 0.964 116.653 115.700 -0.018 0.000 2.502 372 S HA 0.296 4.766 4.470 -0.000 0.000 0.304 372 S C 0.566 175.169 174.600 0.005 0.000 1.097 372 S CA -0.829 57.386 58.200 0.025 0.000 1.045 372 S CB 1.355 64.629 63.200 0.123 0.000 1.019 372 S HN 0.627 nan 8.310 nan 0.000 0.481 373 K N 2.027 122.425 120.400 -0.002 0.000 2.439 373 K HA 0.047 4.367 4.320 -0.000 0.000 0.197 373 K C -0.136 176.433 176.600 -0.052 0.000 1.041 373 K CA 0.714 56.993 56.287 -0.015 0.000 0.970 373 K CB 0.084 32.580 32.500 -0.007 0.000 0.773 373 K HN 0.552 nan 8.250 nan 0.000 0.479 374 E N 1.337 121.483 120.200 -0.089 0.000 2.231 374 E HA 0.130 4.480 4.350 -0.000 0.000 0.277 374 E C -0.800 175.545 176.600 -0.424 0.000 0.999 374 E CA -0.406 55.862 56.400 -0.220 0.000 0.827 374 E CB 1.405 30.985 29.700 -0.200 0.000 1.101 374 E HN -0.084 nan 8.360 nan 0.000 0.393 375 K N 2.768 122.936 120.400 -0.385 0.000 2.258 375 K HA 0.128 4.448 4.320 -0.000 0.000 0.284 375 K C -0.909 175.392 176.600 -0.498 0.000 1.051 375 K CA -0.455 55.633 56.287 -0.333 0.000 0.923 375 K CB 0.406 32.802 32.500 -0.174 0.000 1.046 375 K HN 0.590 nan 8.250 nan 0.000 0.474 376 H N 5.884 124.940 119.070 -0.023 0.000 2.697 376 H HA 0.159 4.715 4.556 -0.000 0.000 0.270 376 H C -2.048 173.266 175.328 -0.023 0.000 1.188 376 H CA -2.294 53.740 56.048 -0.024 0.000 1.322 376 H CB 1.418 31.171 29.762 -0.015 0.000 1.405 376 H HN 0.541 nan 8.280 nan 0.000 0.502 377 P HA -0.123 nan 4.420 nan 0.000 0.219 377 P C 0.293 177.611 177.300 0.031 0.000 1.146 377 P CA 0.831 63.922 63.100 -0.016 0.000 0.808 377 P CB 0.595 32.264 31.700 -0.052 0.000 0.779 378 V N 0.375 120.324 119.914 0.059 0.000 2.483 378 V HA 0.310 4.430 4.120 -0.000 0.000 0.297 378 V C 0.010 176.148 176.094 0.074 0.000 1.027 378 V CA -1.026 61.320 62.300 0.077 0.000 0.855 378 V CB 2.110 33.968 31.823 0.059 0.000 0.995 378 V HN -0.177 nan 8.190 nan 0.000 0.424 379 V N 1.680 121.642 119.914 0.080 0.000 2.769 379 V HA 0.825 4.945 4.120 -0.000 0.000 0.312 379 V C -0.322 175.798 176.094 0.044 0.000 1.058 379 V CA -0.895 61.435 62.300 0.050 0.000 0.952 379 V CB 1.816 33.671 31.823 0.054 0.000 1.019 379 V HN 0.631 nan 8.190 nan 0.000 0.445 380 K N 2.334 122.744 120.400 0.018 0.000 2.182 380 K HA 0.474 4.794 4.320 -0.000 0.000 0.262 380 K C -0.215 176.394 176.600 0.015 0.000 0.957 380 K CA -0.729 55.570 56.287 0.021 0.000 0.842 380 K CB 1.489 33.995 32.500 0.011 0.000 1.099 380 K HN 0.967 nan 8.250 nan 0.000 0.438 381 K N 3.078 123.491 120.400 0.023 0.000 2.448 381 K HA 0.102 4.422 4.320 -0.000 0.000 0.278 381 K C 0.274 176.879 176.600 0.009 0.000 1.009 381 K CA 0.363 56.660 56.287 0.017 0.000 0.995 381 K CB 0.492 33.005 32.500 0.022 0.000 0.917 381 K HN 0.430 nan 8.250 nan 0.000 0.481 382 K N 0.000 120.402 120.400 0.004 0.000 2.780 382 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 382 K CA 0.000 56.287 56.287 0.000 0.000 0.838 382 K CB 0.000 32.497 32.500 -0.004 0.000 1.064 382 K HN 0.000 nan 8.250 nan 0.000 0.543