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 1zyz_1_B DATA FIRST_RESID 15 DATA SEQUENCE FDKITARISR LCYGLDPKHI DAVKVTQRII SXXXXXXTTI ELDNLAAETC DATA SEQUENCE AYMTTVHPDY ATLAARIAIS NLHKQTTKQF SKVVEDLYRY VNAATGKPAP DATA SEQUENCE MISDDVYNIV MENKDKLNSA IVYDRDFQYS YFGFKTLERS YLLRINGQVA DATA SEQUENCE ERPQHLIMRV ALGIHGRDIE AALETYNLMS LKYFTHASPT LFNAGTPKPQ DATA SEQUENCE MSSCFLVAMK EDSIEGIYDT LKECALISKT AGGIGLHIHN IRSTGSYIAG DATA SEQUENCE TNGTSNGLIP MIRVFNNTAR YVDQGGNKRP GAFALYLEPW HADIFDFIDI DATA SEQUENCE RKNHGKEEIR ARDLFPALWI PDLFMKRVEE NGTWTLFSPT SAPGLSDCYG DATA SEQUENCE DEFEALYTRY EKEGRGKTIK AQKLWYSILE AQTETGTPFV VYKDACNRKS DATA SEQUENCE NQKNLGVIKS SNLCCEIVEY SAPDETAVCN LASVALPAFI ETSEDGKTST DATA SEQUENCE YNFKKLHEIA KVVTRNLNRV IDRNYYPVEE ARKSNMRHRP IALGVQGLAD DATA SEQUENCE TFMLLRLPFD SEEARLLNIQ IFETIYHASM EASCELAQKD GPYETFQGSP DATA SEQUENCE ASQGILQFDM WDQKPYGMWD WDTLRKDIMK HGVRNSLTMA PMPTASTSQI DATA SEQUENCE LGYNECFEPV TSNMYSRRVL SGEFQVVNPY LLRDLVDLGI WDEGMKQYLI DATA SEQUENCE TQNGSIQGLP NVPQELKDLY KTVWEISQKT IINMAADRSV YIDQSHSLNL DATA SEQUENCE FLRAPTMGKL TSMHFYGWKK GLKTGMYYLR TQAASAAIQF TIDQXXXXXX DATA SEQUENCE XENVADISNL KRPSYMPSSA SYAASDFVPA AV 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 15 F HA 0.000 nan 4.527 nan 0.000 0.279 15 F C 0.000 175.803 175.800 0.005 0.000 0.967 15 F CA 0.000 58.004 58.000 0.006 0.000 1.383 15 F CB 0.000 39.002 39.000 0.004 0.000 1.145 16 D N 1.932 122.382 120.400 0.082 0.000 2.378 16 D HA 0.141 4.781 4.640 -0.000 0.000 0.238 16 D C -0.051 176.286 176.300 0.061 0.000 1.180 16 D CA 0.024 54.047 54.000 0.038 0.000 0.895 16 D CB 1.116 41.933 40.800 0.027 0.000 1.192 16 D HN 0.523 nan 8.370 nan 0.000 0.438 17 K N 2.515 122.937 120.400 0.037 0.000 2.199 17 K HA 0.140 4.460 4.320 -0.000 0.000 0.226 17 K C -0.267 176.351 176.600 0.030 0.000 1.237 17 K CA -0.168 56.140 56.287 0.036 0.000 1.170 17 K CB -0.571 31.942 32.500 0.023 0.000 1.418 17 K HN 0.353 nan 8.250 nan 0.000 0.255 18 I N -0.120 120.472 120.570 0.037 0.000 2.566 18 I HA -0.008 4.162 4.170 -0.000 0.000 0.286 18 I C 0.354 176.486 176.117 0.024 0.000 1.060 18 I CA 0.482 61.801 61.300 0.032 0.000 2.222 18 I CB -0.396 37.627 38.000 0.038 0.000 1.534 18 I HN 0.181 nan 8.210 nan 0.000 0.987 19 T N 0.339 114.904 114.554 0.019 0.000 2.975 19 T HA 0.323 4.673 4.350 -0.000 0.000 0.257 19 T C 1.941 176.649 174.700 0.013 0.000 1.003 19 T CA 0.437 62.546 62.100 0.014 0.000 0.932 19 T CB 0.511 69.386 68.868 0.011 0.000 1.087 19 T HN 0.569 nan 8.240 nan 0.000 0.512 20 A N 2.512 125.341 122.820 0.015 0.000 1.873 20 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 20 A C 2.342 179.937 177.584 0.018 0.000 1.193 20 A CA 1.775 53.821 52.037 0.015 0.000 0.629 20 A CB -0.371 18.637 19.000 0.014 0.000 0.826 20 A HN 0.261 nan 8.150 nan 0.000 0.447 21 R N -1.000 119.513 120.500 0.022 0.000 2.093 21 R HA 0.127 4.467 4.340 -0.000 0.000 0.224 21 R C 1.855 178.167 176.300 0.021 0.000 1.101 21 R CA 1.166 57.282 56.100 0.027 0.000 0.979 21 R CB -0.538 29.782 30.300 0.032 0.000 0.877 21 R HN 0.567 nan 8.270 nan 0.000 0.441 22 I N 0.162 120.740 120.570 0.013 0.000 2.193 22 I HA -0.232 3.938 4.170 -0.000 0.000 0.240 22 I C 2.243 178.353 176.117 -0.012 0.000 1.084 22 I CA 1.543 62.843 61.300 0.001 0.000 1.365 22 I CB -0.638 37.365 38.000 0.004 0.000 1.064 22 I HN 0.154 nan 8.210 nan 0.000 0.410 23 S N 1.144 116.841 115.700 -0.006 0.000 2.368 23 S HA -0.314 4.156 4.470 -0.000 0.000 0.226 23 S C 2.197 176.794 174.600 -0.004 0.000 1.044 23 S CA 1.417 59.610 58.200 -0.012 0.000 1.062 23 S CB -0.904 62.294 63.200 -0.004 0.000 0.931 23 S HN 0.326 nan 8.310 nan 0.000 0.440 24 R N 1.072 121.581 120.500 0.015 0.000 2.134 24 R HA -0.051 4.289 4.340 -0.000 0.000 0.248 24 R C 2.374 178.715 176.300 0.069 0.000 1.143 24 R CA 1.968 58.094 56.100 0.043 0.000 0.957 24 R CB -0.819 29.508 30.300 0.045 0.000 0.867 24 R HN 0.442 nan 8.270 nan 0.000 0.441 25 L N 0.525 121.757 121.223 0.016 0.000 2.456 25 L HA -0.069 4.271 4.340 -0.000 0.000 0.224 25 L C 0.939 177.664 176.870 -0.242 0.000 1.148 25 L CA 0.179 54.996 54.840 -0.038 0.000 0.825 25 L CB -0.058 41.978 42.059 -0.039 0.000 0.937 25 L HN 0.414 nan 8.230 nan 0.000 0.450 26 C N -1.342 117.842 119.300 -0.193 0.000 2.494 26 C HA 0.406 4.866 4.460 -0.000 0.000 0.424 26 C C 0.472 175.336 174.990 -0.210 0.000 1.188 26 C CA -1.589 57.253 59.018 -0.293 0.000 1.620 26 C CB -2.493 25.120 27.740 -0.212 0.000 1.706 26 C HN 0.267 nan 8.230 nan 0.000 0.543 27 Y N -0.599 119.648 120.300 -0.090 0.000 2.326 27 Y HA 0.622 5.172 4.550 -0.000 0.000 0.333 27 Y C 1.232 177.088 175.900 -0.073 0.000 1.240 27 Y CA 0.056 58.109 58.100 -0.079 0.000 1.365 27 Y CB -0.015 38.395 38.460 -0.084 0.000 1.289 27 Y HN 0.874 nan 8.280 nan 0.000 0.548 28 G N 1.036 109.892 108.800 0.093 0.000 2.153 28 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.252 28 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.252 28 G C -0.131 174.751 174.900 -0.030 0.000 0.994 28 G CA 0.262 45.382 45.100 0.033 0.000 0.698 28 G HN 0.890 nan 8.290 nan 0.000 0.521 29 L N -2.335 118.853 121.223 -0.059 0.000 2.776 29 L HA 0.943 5.283 4.340 -0.000 0.000 0.165 29 L C 0.447 177.270 176.870 -0.079 0.000 1.145 29 L CA -0.581 54.206 54.840 -0.089 0.000 1.230 29 L CB -0.271 41.711 42.059 -0.129 0.000 2.044 29 L HN 0.017 nan 8.230 nan 0.000 0.484 30 D N -2.169 118.126 120.400 -0.176 0.000 2.312 30 D HA 0.298 4.938 4.640 -0.000 0.000 0.229 30 D C -2.285 173.760 176.300 -0.424 0.000 1.337 30 D CA -0.986 52.835 54.000 -0.299 0.000 0.964 30 D CB 1.331 41.900 40.800 -0.384 0.000 1.456 30 D HN 0.188 nan 8.370 nan 0.000 0.547 31 P HA -0.131 nan 4.420 nan 0.000 0.218 31 P C 1.060 178.251 177.300 -0.181 0.000 1.146 31 P CA 1.134 64.127 63.100 -0.179 0.000 0.813 31 P CB 0.570 32.205 31.700 -0.108 0.000 0.778 32 K N -1.295 118.964 120.400 -0.234 0.000 2.067 32 K HA -0.078 4.242 4.320 -0.000 0.000 0.203 32 K C 1.395 177.934 176.600 -0.102 0.000 1.048 32 K CA 0.981 57.185 56.287 -0.138 0.000 0.954 32 K CB -0.427 32.024 32.500 -0.082 0.000 0.737 32 K HN 0.413 nan 8.250 nan 0.000 0.444 33 H N -1.239 117.788 119.070 -0.072 0.000 2.660 33 H HA 0.314 4.870 4.556 -0.000 0.000 0.310 33 H C 0.799 176.097 175.328 -0.050 0.000 1.080 33 H CA 0.048 56.035 56.048 -0.102 0.000 1.145 33 H CB -0.078 29.504 29.762 -0.300 0.000 1.432 33 H HN 0.136 nan 8.280 nan 0.000 0.542 34 I N -1.436 119.112 120.570 -0.036 0.000 4.199 34 I HA 0.000 4.170 4.170 -0.000 0.000 0.280 34 I C -0.148 175.955 176.117 -0.022 0.000 1.122 34 I CA -0.390 60.841 61.300 -0.115 0.000 1.318 34 I CB 0.400 38.244 38.000 -0.259 0.000 1.737 34 I HN 0.069 nan 8.210 nan 0.000 0.428 35 D N 2.699 123.078 120.400 -0.036 0.000 2.973 35 D HA -0.103 4.537 4.640 -0.000 0.000 0.214 35 D C 0.980 177.304 176.300 0.040 0.000 1.079 35 D CA 0.932 54.922 54.000 -0.015 0.000 0.797 35 D CB 0.872 41.663 40.800 -0.015 0.000 1.168 35 D HN 0.380 nan 8.370 nan 0.000 0.515 36 A N 3.996 126.826 122.820 0.017 0.000 1.862 36 A HA -0.223 4.097 4.320 -0.000 0.000 0.214 36 A C 2.232 179.848 177.584 0.053 0.000 1.228 36 A CA 3.413 55.474 52.037 0.040 0.000 0.665 36 A CB -1.212 17.796 19.000 0.014 0.000 0.845 36 A HN 1.075 nan 8.150 nan 0.000 0.459 37 V N -0.906 119.026 119.914 0.030 0.000 2.148 37 V HA -0.585 3.535 4.120 -0.000 0.000 0.159 37 V C 2.060 178.169 176.094 0.025 0.000 0.927 37 V CA 4.188 66.502 62.300 0.024 0.000 1.869 37 V CB -2.298 29.535 31.823 0.018 0.000 0.952 37 V HN 0.886 nan 8.190 nan 0.000 0.434 38 K N 1.084 121.502 120.400 0.030 0.000 2.107 38 K HA -0.184 4.136 4.320 -0.000 0.000 0.211 38 K C 1.962 178.567 176.600 0.008 0.000 1.049 38 K CA 2.479 58.776 56.287 0.016 0.000 0.927 38 K CB -1.081 31.430 32.500 0.019 0.000 0.714 38 K HN 0.657 nan 8.250 nan 0.000 0.452 39 V N 2.078 122.014 119.914 0.037 0.000 2.307 39 V HA -0.212 3.907 4.120 -0.000 0.000 0.245 39 V C 2.384 178.486 176.094 0.013 0.000 1.045 39 V CA 2.338 64.656 62.300 0.030 0.000 1.024 39 V CB -1.063 30.819 31.823 0.097 0.000 0.651 39 V HN 0.425 nan 8.190 nan 0.000 0.449 40 T N -0.232 114.336 114.554 0.023 0.000 2.649 40 T HA -0.362 3.988 4.350 -0.000 0.000 0.268 40 T C 1.934 176.637 174.700 0.006 0.000 1.036 40 T CA 2.225 64.334 62.100 0.016 0.000 1.157 40 T CB -0.335 68.544 68.868 0.019 0.000 0.861 40 T HN 0.539 nan 8.240 nan 0.000 0.445 41 Q N 0.087 119.888 119.800 0.000 0.000 2.016 41 Q HA 0.021 4.361 4.340 -0.000 0.000 0.200 41 Q C 2.605 178.590 176.000 -0.025 0.000 0.978 41 Q CA 0.853 56.650 55.803 -0.010 0.000 0.833 41 Q CB -0.166 28.566 28.738 -0.010 0.000 0.895 41 Q HN 0.346 nan 8.270 nan 0.000 0.427 42 R N 0.887 121.366 120.500 -0.036 0.000 2.261 42 R HA -0.119 4.221 4.340 -0.000 0.000 0.236 42 R C 0.195 176.455 176.300 -0.066 0.000 1.141 42 R CA 0.535 56.596 56.100 -0.065 0.000 1.001 42 R CB -0.289 29.958 30.300 -0.089 0.000 0.866 42 R HN 0.230 nan 8.270 nan 0.000 0.468 43 I N 2.173 122.718 120.570 -0.042 0.000 2.455 43 I HA 0.050 4.220 4.170 -0.000 0.000 0.303 43 I C -0.328 175.771 176.117 -0.030 0.000 1.180 43 I CA 0.671 61.951 61.300 -0.032 0.000 1.469 43 I CB 0.017 38.010 38.000 -0.012 0.000 1.480 43 I HN 0.069 nan 8.210 nan 0.000 0.669 44 I N 3.877 124.423 120.570 -0.041 0.000 2.649 44 I HA 0.126 4.296 4.170 -0.000 0.000 0.289 44 I C 0.114 176.206 176.117 -0.042 0.000 1.222 44 I CA -0.172 61.104 61.300 -0.040 0.000 1.046 44 I CB 2.237 40.212 38.000 -0.042 0.000 1.272 44 I HN 0.381 nan 8.210 nan 0.000 0.425 53 T N 1.100 115.680 114.554 0.043 0.000 3.100 53 T HA 0.271 4.621 4.350 -0.000 0.000 0.253 53 T C 1.741 176.469 174.700 0.046 0.000 1.118 53 T CA 0.942 63.070 62.100 0.047 0.000 1.058 53 T CB -0.520 68.374 68.868 0.043 0.000 0.953 53 T HN 0.383 nan 8.240 nan 0.000 0.515 54 I N 1.520 122.117 120.570 0.045 0.000 2.099 54 I HA -0.115 4.054 4.170 -0.000 0.000 0.239 54 I C 2.492 178.639 176.117 0.051 0.000 1.066 54 I CA 1.629 62.958 61.300 0.049 0.000 1.324 54 I CB -0.505 37.523 38.000 0.047 0.000 1.037 54 I HN 0.354 nan 8.210 nan 0.000 0.401 55 E N 1.034 121.262 120.200 0.047 0.000 2.169 55 E HA -0.280 4.070 4.350 -0.000 0.000 0.202 55 E C 2.211 178.839 176.600 0.047 0.000 1.016 55 E CA 1.828 58.255 56.400 0.046 0.000 0.817 55 E CB -0.227 29.497 29.700 0.040 0.000 0.736 55 E HN 0.519 nan 8.360 nan 0.000 0.462 56 L N 0.257 121.508 121.223 0.047 0.000 2.042 56 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 56 L C 2.036 178.932 176.870 0.044 0.000 1.076 56 L CA 1.858 56.724 54.840 0.044 0.000 0.749 56 L CB -0.557 41.532 42.059 0.049 0.000 0.893 56 L HN 0.020 nan 8.230 nan 0.000 0.432 57 D N -0.235 120.195 120.400 0.050 0.000 2.162 57 D HA -0.107 4.533 4.640 -0.000 0.000 0.203 57 D C 1.904 178.241 176.300 0.062 0.000 0.967 57 D CA 0.770 54.801 54.000 0.051 0.000 0.840 57 D CB -0.297 40.535 40.800 0.053 0.000 0.972 57 D HN 0.286 nan 8.370 nan 0.000 0.482 58 N N 0.571 119.316 118.700 0.075 0.000 2.061 58 N HA -0.142 4.598 4.740 -0.000 0.000 0.193 58 N C 1.665 177.228 175.510 0.087 0.000 1.030 58 N CA 0.835 53.946 53.050 0.100 0.000 0.856 58 N CB -0.391 38.155 38.487 0.097 0.000 1.023 58 N HN 0.189 nan 8.380 nan 0.000 0.424 59 L N -0.057 121.202 121.223 0.059 0.000 2.131 59 L HA -0.077 4.263 4.340 -0.000 0.000 0.210 59 L C 2.364 179.244 176.870 0.017 0.000 1.092 59 L CA 1.101 55.964 54.840 0.038 0.000 0.759 59 L CB -0.563 41.512 42.059 0.026 0.000 0.903 59 L HN 0.206 nan 8.230 nan 0.000 0.435 60 A N 0.142 122.975 122.820 0.021 0.000 1.898 60 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 60 A C 2.562 180.138 177.584 -0.014 0.000 1.181 60 A CA 1.617 53.658 52.037 0.007 0.000 0.620 60 A CB -0.629 18.382 19.000 0.018 0.000 0.819 60 A HN 0.374 nan 8.150 nan 0.000 0.442 61 A N -0.244 122.576 122.820 -0.000 0.000 1.841 61 A HA -0.147 4.173 4.320 -0.000 0.000 0.214 61 A C 1.925 179.387 177.584 -0.203 0.000 1.195 61 A CA 1.552 53.554 52.037 -0.059 0.000 0.611 61 A CB -0.619 18.452 19.000 0.119 0.000 0.835 61 A HN 0.493 nan 8.150 nan 0.000 0.443 62 E N -0.370 119.801 120.200 -0.049 0.000 2.055 62 E HA -0.241 4.109 4.350 -0.000 0.000 0.209 62 E C 2.168 178.728 176.600 -0.067 0.000 1.036 62 E CA 2.222 58.611 56.400 -0.017 0.000 0.849 62 E CB -0.975 28.772 29.700 0.078 0.000 0.767 62 E HN 0.645 nan 8.360 nan 0.000 0.461 63 T N 1.046 115.567 114.554 -0.055 0.000 2.652 63 T HA -0.209 4.141 4.350 -0.000 0.000 0.267 63 T C 2.143 176.801 174.700 -0.069 0.000 1.039 63 T CA 1.422 63.479 62.100 -0.071 0.000 1.153 63 T CB -0.785 68.041 68.868 -0.070 0.000 0.863 63 T HN 0.287 nan 8.240 nan 0.000 0.428 64 C N 1.363 120.620 119.300 -0.071 0.000 2.410 64 C HA 0.084 4.544 4.460 -0.000 0.000 0.281 64 C C 3.093 178.045 174.990 -0.064 0.000 1.318 64 C CA 0.471 59.481 59.018 -0.013 0.000 1.776 64 C CB -1.555 26.171 27.740 -0.024 0.000 1.942 64 C HN 0.639 nan 8.230 nan 0.000 0.508 65 A N -1.723 120.956 122.820 -0.234 0.000 1.897 65 A HA -0.126 4.194 4.320 -0.000 0.000 0.215 65 A C 1.943 179.396 177.584 -0.219 0.000 1.181 65 A CA 1.348 53.241 52.037 -0.240 0.000 0.620 65 A CB -1.093 17.591 19.000 -0.526 0.000 0.821 65 A HN 0.672 nan 8.150 nan 0.000 0.443 66 Y N -0.093 119.905 120.300 -0.504 0.000 2.228 66 Y HA -0.211 4.338 4.550 -0.000 0.000 0.285 66 Y C 2.056 177.458 175.900 -0.829 0.000 1.178 66 Y CA 2.033 59.550 58.100 -0.972 0.000 1.202 66 Y CB -0.233 37.919 38.460 -0.513 0.000 0.974 66 Y HN 0.282 nan 8.280 nan 0.000 0.527 67 M N -0.341 119.099 119.600 -0.268 0.000 2.633 67 M HA -0.041 4.438 4.480 -0.000 0.000 0.226 67 M C 0.588 176.829 176.300 -0.099 0.000 1.137 67 M CA 0.533 55.665 55.300 -0.281 0.000 1.020 67 M CB 0.144 32.349 32.600 -0.659 0.000 1.675 67 M HN -0.029 nan 8.290 nan 0.000 0.500 68 T N -0.055 114.512 114.554 0.022 0.000 3.667 68 T HA 0.051 4.401 4.350 -0.000 0.000 0.240 68 T C 1.062 175.929 174.700 0.277 0.000 0.919 68 T CA 0.483 62.721 62.100 0.231 0.000 0.928 68 T CB -0.316 68.773 68.868 0.369 0.000 1.151 68 T HN 0.326 nan 8.240 nan 0.000 0.644 69 T N -0.391 114.298 114.554 0.224 0.000 3.313 69 T HA 0.072 4.422 4.350 -0.000 0.000 0.266 69 T C 2.194 177.128 174.700 0.390 0.000 0.987 69 T CA -0.020 62.287 62.100 0.346 0.000 1.086 69 T CB -0.005 69.016 68.868 0.256 0.000 1.159 69 T HN 0.169 nan 8.240 nan 0.000 0.450 70 V N 0.999 121.017 119.914 0.173 0.000 2.324 70 V HA -0.058 4.062 4.120 -0.000 0.000 0.250 70 V C 0.890 177.219 176.094 0.393 0.000 1.060 70 V CA 1.861 64.254 62.300 0.155 0.000 1.042 70 V CB -0.438 31.311 31.823 -0.124 0.000 0.650 70 V HN 0.565 nan 8.190 nan 0.000 0.450 71 H N -1.939 117.294 119.070 0.272 0.000 3.094 71 H HA 0.306 4.862 4.556 -0.000 0.000 0.346 71 H C -2.391 173.087 175.328 0.249 0.000 1.238 71 H CA -1.183 55.045 56.048 0.299 0.000 1.209 71 H CB 2.143 32.129 29.762 0.373 0.000 1.911 71 H HN -0.241 nan 8.280 nan 0.000 0.540 72 P HA -0.083 nan 4.420 nan 0.000 0.228 72 P C 0.201 177.484 177.300 -0.028 0.000 1.151 72 P CA 1.021 64.017 63.100 -0.174 0.000 0.770 72 P CB 0.501 31.993 31.700 -0.346 0.000 0.786 73 D N -1.512 118.933 120.400 0.076 0.000 2.347 73 D HA -0.068 4.572 4.640 -0.000 0.000 0.215 73 D C 1.498 177.785 176.300 -0.023 0.000 0.976 73 D CA 0.713 54.763 54.000 0.084 0.000 0.884 73 D CB -0.621 40.310 40.800 0.219 0.000 0.915 73 D HN 0.244 nan 8.370 nan 0.000 0.526 74 Y N 0.560 120.913 120.300 0.088 0.000 2.516 74 Y HA 0.102 4.652 4.550 -0.000 0.000 0.291 74 Y C 2.254 178.158 175.900 0.008 0.000 1.131 74 Y CA 0.481 58.607 58.100 0.043 0.000 1.281 74 Y CB -0.134 38.358 38.460 0.053 0.000 1.013 74 Y HN -0.072 nan 8.280 nan 0.000 0.554 75 A N -0.170 122.748 122.820 0.162 0.000 1.845 75 A HA -0.197 4.123 4.320 -0.000 0.000 0.215 75 A C 2.285 179.902 177.584 0.055 0.000 1.195 75 A CA 2.326 54.439 52.037 0.126 0.000 0.616 75 A CB -1.275 17.820 19.000 0.158 0.000 0.832 75 A HN 0.344 nan 8.150 nan 0.000 0.443 76 T N 0.267 114.834 114.554 0.022 0.000 2.778 76 T HA -0.137 4.213 4.350 -0.000 0.000 0.269 76 T C 1.710 176.373 174.700 -0.062 0.000 1.050 76 T CA 1.368 63.453 62.100 -0.024 0.000 1.137 76 T CB -0.245 68.588 68.868 -0.058 0.000 0.860 76 T HN 0.301 nan 8.240 nan 0.000 0.468 77 L N 0.206 121.382 121.223 -0.078 0.000 2.162 77 L HA 0.156 4.496 4.340 -0.000 0.000 0.205 77 L C 2.738 179.570 176.870 -0.063 0.000 1.086 77 L CA 1.216 55.992 54.840 -0.107 0.000 0.778 77 L CB -0.867 41.098 42.059 -0.156 0.000 0.928 77 L HN 0.270 nan 8.230 nan 0.000 0.446 78 A N 0.010 122.793 122.820 -0.063 0.000 1.898 78 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 78 A C 2.461 180.050 177.584 0.009 0.000 1.181 78 A CA 1.543 53.504 52.037 -0.127 0.000 0.620 78 A CB -0.636 18.127 19.000 -0.396 0.000 0.819 78 A HN 0.486 nan 8.150 nan 0.000 0.442 79 A N 0.063 122.919 122.820 0.060 0.000 1.873 79 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 79 A C 2.248 179.850 177.584 0.030 0.000 1.193 79 A CA 1.833 53.920 52.037 0.084 0.000 0.629 79 A CB -0.524 18.527 19.000 0.086 0.000 0.826 79 A HN 0.553 nan 8.150 nan 0.000 0.447 80 R N -0.675 119.864 120.500 0.066 0.000 2.081 80 R HA -0.049 4.291 4.340 -0.000 0.000 0.235 80 R C 2.004 178.363 176.300 0.099 0.000 1.131 80 R CA 1.612 57.800 56.100 0.148 0.000 0.960 80 R CB -0.498 29.790 30.300 -0.020 0.000 0.856 80 R HN 0.616 nan 8.270 nan 0.000 0.436 81 I N 0.363 120.949 120.570 0.027 0.000 2.286 81 I HA -0.255 3.915 4.170 -0.000 0.000 0.248 81 I C 2.546 178.663 176.117 0.001 0.000 1.115 81 I CA 1.266 62.580 61.300 0.023 0.000 1.392 81 I CB -0.352 37.656 38.000 0.012 0.000 1.065 81 I HN 0.200 nan 8.210 nan 0.000 0.418 82 A N 1.120 123.922 122.820 -0.029 0.000 1.872 82 A HA -0.113 4.207 4.320 -0.000 0.000 0.214 82 A C 2.263 179.586 177.584 -0.434 0.000 1.187 82 A CA 1.207 53.174 52.037 -0.117 0.000 0.614 82 A CB -0.499 18.477 19.000 -0.041 0.000 0.826 82 A HN 0.282 nan 8.150 nan 0.000 0.442 83 I N -0.398 119.809 120.570 -0.604 0.000 2.252 83 I HA -0.139 4.031 4.170 -0.000 0.000 0.245 83 I C 2.656 178.415 176.117 -0.597 0.000 1.102 83 I CA 1.655 62.431 61.300 -0.872 0.000 1.385 83 I CB -1.481 35.866 38.000 -1.089 0.000 1.064 83 I HN 0.329 nan 8.210 nan 0.000 0.414 84 S N 1.162 116.752 115.700 -0.183 0.000 2.370 84 S HA -0.219 4.251 4.470 -0.000 0.000 0.226 84 S C 1.764 176.374 174.600 0.016 0.000 1.033 84 S CA 2.075 60.296 58.200 0.035 0.000 1.011 84 S CB -0.351 62.940 63.200 0.152 0.000 0.852 84 S HN 0.509 nan 8.310 nan 0.000 0.457 85 N N 0.845 119.538 118.700 -0.012 0.000 2.188 85 N HA 0.014 4.754 4.740 -0.000 0.000 0.184 85 N C 1.798 177.334 175.510 0.044 0.000 1.018 85 N CA 0.932 54.000 53.050 0.031 0.000 0.858 85 N CB -0.180 38.332 38.487 0.042 0.000 0.989 85 N HN 0.257 nan 8.380 nan 0.000 0.426 86 L N 0.876 122.098 121.223 -0.002 0.000 2.012 86 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 86 L C 1.839 178.785 176.870 0.126 0.000 1.073 86 L CA 1.902 56.783 54.840 0.068 0.000 0.748 86 L CB -0.653 41.447 42.059 0.070 0.000 0.891 86 L HN 0.353 nan 8.230 nan 0.000 0.431 87 H N 0.537 119.601 119.070 -0.011 0.000 2.353 87 H HA -0.186 4.369 4.556 -0.000 0.000 0.298 87 H C 2.307 177.640 175.328 0.009 0.000 1.103 87 H CA 1.589 57.629 56.048 -0.014 0.000 1.293 87 H CB -0.138 29.618 29.762 -0.011 0.000 1.372 87 H HN 0.327 nan 8.280 nan 0.000 0.501 88 K N 0.300 120.795 120.400 0.157 0.000 2.097 88 K HA -0.093 4.227 4.320 -0.000 0.000 0.205 88 K C 2.013 178.661 176.600 0.080 0.000 1.050 88 K CA 0.986 57.332 56.287 0.098 0.000 0.938 88 K CB 0.025 32.575 32.500 0.084 0.000 0.718 88 K HN 0.359 nan 8.250 nan 0.000 0.442 89 Q N -0.274 119.579 119.800 0.088 0.000 2.482 89 Q HA 0.004 4.344 4.340 -0.000 0.000 0.209 89 Q C 0.073 176.124 176.000 0.084 0.000 0.961 89 Q CA 0.507 56.358 55.803 0.080 0.000 0.945 89 Q CB 0.608 29.396 28.738 0.083 0.000 1.012 89 Q HN 0.026 nan 8.270 nan 0.000 0.515 90 T N -0.557 114.054 114.554 0.095 0.000 2.903 90 T HA 0.234 4.584 4.350 -0.000 0.000 0.299 90 T C -0.684 174.066 174.700 0.083 0.000 1.093 90 T CA -0.490 61.675 62.100 0.107 0.000 1.002 90 T CB 1.866 70.828 68.868 0.157 0.000 1.127 90 T HN -0.185 nan 8.240 nan 0.000 0.488 91 T N 3.254 117.860 114.554 0.086 0.000 2.916 91 T HA 0.164 4.514 4.350 -0.000 0.000 0.303 91 T C 1.358 176.100 174.700 0.069 0.000 1.025 91 T CA -0.069 62.063 62.100 0.054 0.000 1.142 91 T CB 0.982 69.872 68.868 0.037 0.000 0.947 91 T HN 0.574 nan 8.240 nan 0.000 0.544 92 K N 2.167 122.548 120.400 -0.031 0.000 2.044 92 K HA 0.029 4.349 4.320 -0.000 0.000 0.204 92 K C 1.049 177.654 176.600 0.008 0.000 1.049 92 K CA 0.658 56.836 56.287 -0.182 0.000 0.945 92 K CB 0.143 32.465 32.500 -0.297 0.000 0.724 92 K HN 0.573 nan 8.250 nan 0.000 0.440 93 Q N 0.939 120.776 119.800 0.062 0.000 2.286 93 Q HA -0.060 4.280 4.340 -0.000 0.000 0.267 93 Q C 0.550 176.651 176.000 0.169 0.000 1.028 93 Q CA -0.337 55.558 55.803 0.153 0.000 0.901 93 Q CB 0.486 29.269 28.738 0.076 0.000 1.183 93 Q HN 0.231 nan 8.270 nan 0.000 0.392 94 F N 3.292 123.335 119.950 0.154 0.000 2.043 94 F HA -0.353 4.174 4.527 -0.000 0.000 0.297 94 F C 2.261 178.002 175.800 -0.100 0.000 1.118 94 F CA 2.491 60.474 58.000 -0.028 0.000 1.202 94 F CB -0.646 38.426 39.000 0.120 0.000 0.965 94 F HN 0.709 nan 8.300 nan 0.000 0.482 95 S N -0.400 115.187 115.700 -0.189 0.000 2.383 95 S HA -0.242 4.228 4.470 -0.000 0.000 0.229 95 S C 2.053 176.526 174.600 -0.211 0.000 1.030 95 S CA 1.426 59.445 58.200 -0.301 0.000 1.002 95 S CB -0.765 62.355 63.200 -0.132 0.000 0.829 95 S HN 0.559 nan 8.310 nan 0.000 0.467 96 K N 0.525 120.855 120.400 -0.117 0.000 2.147 96 K HA 0.026 4.346 4.320 -0.000 0.000 0.205 96 K C 2.089 178.632 176.600 -0.094 0.000 1.049 96 K CA 1.277 57.523 56.287 -0.068 0.000 0.936 96 K CB -0.405 32.078 32.500 -0.028 0.000 0.722 96 K HN 0.296 nan 8.250 nan 0.000 0.446 97 V N 0.734 120.536 119.914 -0.186 0.000 2.270 97 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 97 V C 2.237 178.226 176.094 -0.176 0.000 1.043 97 V CA 1.411 63.594 62.300 -0.196 0.000 1.014 97 V CB -0.271 31.337 31.823 -0.359 0.000 0.645 97 V HN 0.066 nan 8.190 nan 0.000 0.447 98 V N 0.127 119.847 119.914 -0.322 0.000 2.282 98 V HA -0.337 3.783 4.120 -0.000 0.000 0.249 98 V C 2.578 178.688 176.094 0.026 0.000 1.057 98 V CA 2.475 64.642 62.300 -0.221 0.000 1.032 98 V CB -0.687 30.868 31.823 -0.447 0.000 0.645 98 V HN 0.639 nan 8.190 nan 0.000 0.447 99 E N 0.657 120.883 120.200 0.043 0.000 2.049 99 E HA -0.256 4.094 4.350 -0.000 0.000 0.198 99 E C 1.792 178.472 176.600 0.133 0.000 1.007 99 E CA 2.087 58.590 56.400 0.171 0.000 0.809 99 E CB -0.408 29.354 29.700 0.103 0.000 0.749 99 E HN 0.652 nan 8.360 nan 0.000 0.450 100 D N -0.192 120.248 120.400 0.067 0.000 2.097 100 D HA -0.144 4.496 4.640 -0.000 0.000 0.195 100 D C 2.128 178.485 176.300 0.095 0.000 0.989 100 D CA 1.052 55.094 54.000 0.070 0.000 0.827 100 D CB -0.351 40.478 40.800 0.048 0.000 0.966 100 D HN 0.262 nan 8.370 nan 0.000 0.456 101 L N -0.424 120.845 121.223 0.076 0.000 2.083 101 L HA -0.202 4.138 4.340 -0.000 0.000 0.209 101 L C 2.439 179.381 176.870 0.119 0.000 1.083 101 L CA 0.957 55.840 54.840 0.072 0.000 0.752 101 L CB -0.416 41.671 42.059 0.046 0.000 0.899 101 L HN 0.047 nan 8.230 nan 0.000 0.433 102 Y N 0.685 120.973 120.300 -0.021 0.000 2.220 102 Y HA -0.088 4.461 4.550 -0.000 0.000 0.291 102 Y C 2.423 178.257 175.900 -0.111 0.000 1.129 102 Y CA 1.199 59.233 58.100 -0.110 0.000 1.161 102 Y CB 0.064 38.358 38.460 -0.278 0.000 0.997 102 Y HN -0.033 nan 8.280 nan 0.000 0.522 103 R N -0.350 120.111 120.500 -0.065 0.000 2.313 103 R HA -0.072 4.268 4.340 -0.000 0.000 0.199 103 R C -0.310 175.941 176.300 -0.081 0.000 0.958 103 R CA -0.172 55.847 56.100 -0.135 0.000 1.047 103 R CB -1.612 28.662 30.300 -0.044 0.000 0.955 103 R HN 0.347 nan 8.270 nan 0.000 0.481 104 Y N 1.077 121.299 120.300 -0.130 0.000 2.810 104 Y HA -0.072 4.478 4.550 -0.000 0.000 0.332 104 Y C -0.061 175.773 175.900 -0.111 0.000 1.243 104 Y CA 0.184 58.227 58.100 -0.095 0.000 1.537 104 Y CB 0.505 38.923 38.460 -0.070 0.000 1.265 104 Y HN -0.285 nan 8.280 nan 0.000 0.572 105 V N 6.501 125.979 119.914 -0.728 0.000 2.513 105 V HA 0.162 4.282 4.120 -0.000 0.000 0.299 105 V C -0.267 175.288 176.094 -0.899 0.000 1.035 105 V CA -1.363 60.582 62.300 -0.591 0.000 0.889 105 V CB 1.703 33.319 31.823 -0.345 0.000 0.988 105 V HN 0.769 nan 8.190 nan 0.000 0.440 106 N N 3.080 121.507 118.700 -0.455 0.000 2.402 106 N HA 0.201 4.941 4.740 -0.000 0.000 0.259 106 N C 1.109 176.508 175.510 -0.185 0.000 1.167 106 N CA 0.457 53.355 53.050 -0.253 0.000 0.949 106 N CB 1.441 39.906 38.487 -0.036 0.000 1.212 106 N HN 0.820 nan 8.380 nan 0.000 0.493 107 A N 3.742 126.455 122.820 -0.177 0.000 2.054 107 A HA -0.167 4.153 4.320 -0.000 0.000 0.223 107 A C 1.493 179.037 177.584 -0.066 0.000 1.169 107 A CA 1.998 53.969 52.037 -0.110 0.000 0.655 107 A CB -0.459 18.505 19.000 -0.061 0.000 0.812 107 A HN 0.704 nan 8.150 nan 0.000 0.462 108 A N -2.206 120.587 122.820 -0.044 0.000 2.610 108 A HA 0.505 4.824 4.320 -0.000 0.000 0.286 108 A C 1.003 178.568 177.584 -0.032 0.000 1.306 108 A CA 0.795 52.814 52.037 -0.030 0.000 0.942 108 A CB 0.012 19.005 19.000 -0.013 0.000 1.112 108 A HN 0.283 nan 8.150 nan 0.000 0.527 109 T N -2.882 111.644 114.554 -0.047 0.000 3.220 109 T HA 0.278 4.628 4.350 -0.000 0.000 0.262 109 T C 1.369 176.036 174.700 -0.056 0.000 0.843 109 T CA 0.542 62.615 62.100 -0.044 0.000 0.838 109 T CB 0.156 69.002 68.868 -0.037 0.000 1.262 109 T HN 1.383 nan 8.240 nan 0.000 0.613 110 G N 2.486 111.240 108.800 -0.078 0.000 2.189 110 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.267 110 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.267 110 G C -0.011 174.834 174.900 -0.092 0.000 0.975 110 G CA 0.584 45.633 45.100 -0.086 0.000 0.644 110 G HN 0.495 nan 8.290 nan 0.000 0.537 111 K N 1.076 121.423 120.400 -0.088 0.000 2.205 111 K HA 0.434 4.753 4.320 -0.000 0.000 0.279 111 K C -2.422 174.112 176.600 -0.110 0.000 1.027 111 K CA -1.946 54.291 56.287 -0.083 0.000 0.932 111 K CB 1.107 33.573 32.500 -0.057 0.000 1.032 111 K HN -0.037 nan 8.250 nan 0.000 0.466 112 P HA -0.050 nan 4.420 nan 0.000 0.262 112 P C -1.187 176.058 177.300 -0.092 0.000 1.199 112 P CA 0.177 63.195 63.100 -0.137 0.000 0.763 112 P CB 0.615 32.223 31.700 -0.153 0.000 0.790 113 A N 5.368 128.164 122.820 -0.041 0.000 3.204 113 A HA 0.493 4.813 4.320 -0.000 0.000 0.327 113 A C -2.541 175.097 177.584 0.090 0.000 0.998 113 A CA -1.413 50.657 52.037 0.054 0.000 0.891 113 A CB 0.017 19.112 19.000 0.159 0.000 1.061 113 A HN 0.286 nan 8.150 nan 0.000 0.478 114 P HA 0.271 nan 4.420 nan 0.000 0.276 114 P C 0.657 177.954 177.300 -0.006 0.000 1.230 114 P CA -0.103 62.945 63.100 -0.086 0.000 0.776 114 P CB 0.760 32.286 31.700 -0.290 0.000 0.888 115 M N 1.457 121.068 119.600 0.018 0.000 2.441 115 M HA 0.205 4.685 4.480 -0.000 0.000 0.244 115 M C 0.450 176.786 176.300 0.061 0.000 1.122 115 M CA 0.506 55.807 55.300 0.002 0.000 1.041 115 M CB 0.197 32.760 32.600 -0.062 0.000 1.438 115 M HN 0.291 nan 8.290 nan 0.000 0.484 116 I N 0.166 120.822 120.570 0.144 0.000 2.648 116 I HA 0.208 4.378 4.170 -0.000 0.000 0.304 116 I C 0.447 176.705 176.117 0.236 0.000 1.009 116 I CA -0.772 60.634 61.300 0.177 0.000 1.114 116 I CB 2.195 40.299 38.000 0.174 0.000 1.293 116 I HN 0.046 nan 8.210 nan 0.000 0.449 117 S N 2.641 118.435 115.700 0.157 0.000 2.565 117 S HA 0.135 4.605 4.470 -0.000 0.000 0.274 117 S C 0.606 175.305 174.600 0.163 0.000 1.309 117 S CA -0.631 57.659 58.200 0.150 0.000 1.043 117 S CB 1.194 64.449 63.200 0.092 0.000 0.939 117 S HN 0.582 nan 8.310 nan 0.000 0.504 118 D N 1.829 122.351 120.400 0.204 0.000 2.157 118 D HA -0.204 4.436 4.640 -0.000 0.000 0.191 118 D C 1.374 177.731 176.300 0.096 0.000 1.004 118 D CA 2.182 56.282 54.000 0.167 0.000 0.854 118 D CB -0.523 40.373 40.800 0.160 0.000 0.936 118 D HN 0.897 nan 8.370 nan 0.000 0.446 119 D N -0.083 120.368 120.400 0.084 0.000 2.087 119 D HA -0.132 4.508 4.640 -0.000 0.000 0.192 119 D C 2.051 178.374 176.300 0.038 0.000 0.993 119 D CA 1.255 55.291 54.000 0.060 0.000 0.828 119 D CB -0.081 40.757 40.800 0.063 0.000 0.968 119 D HN 0.016 nan 8.370 nan 0.000 0.448 120 V N -0.110 119.832 119.914 0.047 0.000 2.358 120 V HA -0.199 3.920 4.120 -0.000 0.000 0.246 120 V C 2.089 178.171 176.094 -0.019 0.000 1.047 120 V CA 1.723 64.043 62.300 0.034 0.000 1.035 120 V CB -0.909 30.954 31.823 0.066 0.000 0.658 120 V HN 0.325 nan 8.190 nan 0.000 0.452 121 Y N 2.272 122.454 120.300 -0.197 0.000 2.040 121 Y HA -0.339 4.211 4.550 -0.000 0.000 0.275 121 Y C 2.550 178.291 175.900 -0.265 0.000 1.171 121 Y CA 2.291 60.165 58.100 -0.376 0.000 1.123 121 Y CB -0.572 37.344 38.460 -0.906 0.000 0.963 121 Y HN 0.303 nan 8.280 nan 0.000 0.493 122 N N 0.588 119.148 118.700 -0.234 0.000 2.036 122 N HA -0.237 4.502 4.740 -0.000 0.000 0.195 122 N C 2.018 177.400 175.510 -0.215 0.000 1.037 122 N CA 2.207 55.118 53.050 -0.231 0.000 0.855 122 N CB -0.718 37.740 38.487 -0.049 0.000 1.033 122 N HN 0.493 nan 8.380 nan 0.000 0.423 123 I N 0.596 121.095 120.570 -0.119 0.000 2.208 123 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 123 I C 2.147 178.208 176.117 -0.092 0.000 1.097 123 I CA 0.757 62.015 61.300 -0.070 0.000 1.363 123 I CB -0.228 37.765 38.000 -0.012 0.000 1.051 123 I HN -0.072 nan 8.210 nan 0.000 0.413 124 V N 0.283 120.114 119.914 -0.138 0.000 2.295 124 V HA -0.295 3.825 4.120 -0.000 0.000 0.246 124 V C 2.520 178.498 176.094 -0.193 0.000 1.049 124 V CA 1.603 63.828 62.300 -0.124 0.000 1.024 124 V CB -0.487 31.228 31.823 -0.181 0.000 0.648 124 V HN 0.346 nan 8.190 nan 0.000 0.447 125 M N -0.351 119.033 119.600 -0.361 0.000 2.086 125 M HA -0.184 4.296 4.480 -0.000 0.000 0.261 125 M C 2.189 178.382 176.300 -0.180 0.000 1.067 125 M CA 1.665 56.769 55.300 -0.327 0.000 1.116 125 M CB -1.430 30.870 32.600 -0.499 0.000 1.348 125 M HN 0.466 nan 8.290 nan 0.000 0.407 126 E N 0.371 120.474 120.200 -0.161 0.000 2.209 126 E HA -0.201 4.149 4.350 -0.000 0.000 0.196 126 E C 0.119 176.684 176.600 -0.059 0.000 0.993 126 E CA 1.150 57.495 56.400 -0.091 0.000 0.819 126 E CB 0.045 29.698 29.700 -0.079 0.000 0.745 126 E HN 0.571 nan 8.360 nan 0.000 0.477 127 N N -0.779 117.888 118.700 -0.055 0.000 2.451 127 N HA 0.030 4.770 4.740 -0.000 0.000 0.271 127 N C 0.444 175.947 175.510 -0.011 0.000 1.410 127 N CA -0.174 52.860 53.050 -0.026 0.000 0.884 127 N CB 0.771 39.251 38.487 -0.013 0.000 1.332 127 N HN 0.103 nan 8.380 nan 0.000 0.498 128 K N 0.008 120.394 120.400 -0.023 0.000 2.097 128 K HA -0.106 4.213 4.320 -0.000 0.000 0.206 128 K C 0.407 177.020 176.600 0.022 0.000 1.049 128 K CA 1.404 57.692 56.287 0.002 0.000 0.933 128 K CB 0.102 32.584 32.500 -0.030 0.000 0.717 128 K HN -0.053 nan 8.250 nan 0.000 0.442 129 D N 1.390 121.793 120.400 0.005 0.000 2.084 129 D HA -0.118 4.522 4.640 -0.000 0.000 0.196 129 D C 1.841 178.142 176.300 0.001 0.000 0.985 129 D CA 1.165 55.169 54.000 0.007 0.000 0.826 129 D CB -0.119 40.681 40.800 -0.000 0.000 0.978 129 D HN 0.262 nan 8.370 nan 0.000 0.456 130 K N -0.066 120.329 120.400 -0.009 0.000 2.032 130 K HA -0.159 4.161 4.320 -0.000 0.000 0.209 130 K C 1.970 178.543 176.600 -0.045 0.000 1.048 130 K CA 0.730 57.003 56.287 -0.024 0.000 0.927 130 K CB -0.065 32.420 32.500 -0.024 0.000 0.712 130 K HN -0.026 nan 8.250 nan 0.000 0.441 131 L N 1.436 122.644 121.223 -0.025 0.000 1.961 131 L HA -0.171 4.169 4.340 -0.000 0.000 0.209 131 L C 1.802 178.636 176.870 -0.061 0.000 1.075 131 L CA 1.740 56.548 54.840 -0.052 0.000 0.749 131 L CB -1.388 40.715 42.059 0.072 0.000 0.890 131 L HN 0.280 nan 8.230 nan 0.000 0.433 132 N N -0.681 118.064 118.700 0.075 0.000 2.089 132 N HA -0.277 4.463 4.740 -0.000 0.000 0.198 132 N C 1.655 177.190 175.510 0.041 0.000 1.017 132 N CA 1.861 54.981 53.050 0.116 0.000 0.880 132 N CB -0.154 38.410 38.487 0.129 0.000 1.042 132 N HN 0.473 nan 8.380 nan 0.000 0.446 133 S N -0.424 115.276 115.700 0.000 0.000 2.496 133 S HA 0.228 4.697 4.470 -0.000 0.000 0.224 133 S C 1.823 176.384 174.600 -0.066 0.000 0.996 133 S CA 0.330 58.525 58.200 -0.008 0.000 0.927 133 S CB 0.243 63.443 63.200 0.000 0.000 0.774 133 S HN 0.366 nan 8.310 nan 0.000 0.524 134 A N 1.441 124.176 122.820 -0.143 0.000 2.016 134 A HA 0.356 4.676 4.320 -0.000 0.000 0.217 134 A C 0.952 178.349 177.584 -0.312 0.000 1.162 134 A CA 0.168 52.083 52.037 -0.204 0.000 0.662 134 A CB -0.555 18.294 19.000 -0.253 0.000 0.812 134 A HN 0.585 nan 8.150 nan 0.000 0.450 135 I N 0.832 121.142 120.570 -0.435 0.000 2.588 135 I HA 0.120 4.289 4.170 -0.000 0.000 0.283 135 I C -0.661 175.262 176.117 -0.324 0.000 1.119 135 I CA -0.138 60.821 61.300 -0.569 0.000 1.419 135 I CB 1.513 39.069 38.000 -0.739 0.000 1.394 135 I HN -0.116 nan 8.210 nan 0.000 0.562 136 V N 7.489 127.307 119.914 -0.160 0.000 2.275 136 V HA 0.103 4.223 4.120 -0.000 0.000 0.272 136 V C 0.199 176.239 176.094 -0.090 0.000 1.028 136 V CA -0.361 61.905 62.300 -0.056 0.000 0.810 136 V CB 0.262 32.112 31.823 0.046 0.000 1.043 136 V HN 0.618 nan 8.190 nan 0.000 0.453 137 Y N 0.620 120.964 120.300 0.072 0.000 2.483 137 Y HA -0.141 4.409 4.550 -0.000 0.000 0.291 137 Y C 2.048 178.061 175.900 0.189 0.000 1.143 137 Y CA 1.004 59.145 58.100 0.068 0.000 1.289 137 Y CB 0.015 38.427 38.460 -0.079 0.000 0.983 137 Y HN 0.544 nan 8.280 nan 0.000 0.556 138 D N -0.128 120.461 120.400 0.315 0.000 2.264 138 D HA -0.102 4.538 4.640 -0.000 0.000 0.208 138 D C 1.844 178.337 176.300 0.322 0.000 0.966 138 D CA 0.791 55.034 54.000 0.404 0.000 0.864 138 D CB -0.134 40.827 40.800 0.268 0.000 0.933 138 D HN 0.354 nan 8.370 nan 0.000 0.499 139 R N 0.415 121.007 120.500 0.154 0.000 2.237 139 R HA -0.074 4.266 4.340 -0.000 0.000 0.219 139 R C 1.234 177.535 176.300 0.001 0.000 1.080 139 R CA 0.586 56.708 56.100 0.036 0.000 0.995 139 R CB 0.079 30.355 30.300 -0.040 0.000 0.875 139 R HN 0.074 nan 8.270 nan 0.000 0.462 140 D N 0.075 120.513 120.400 0.064 0.000 2.263 140 D HA -0.145 4.495 4.640 -0.000 0.000 0.208 140 D C 0.932 177.149 176.300 -0.139 0.000 0.971 140 D CA 1.092 55.103 54.000 0.019 0.000 0.867 140 D CB -0.053 40.692 40.800 -0.091 0.000 0.929 140 D HN 0.168 nan 8.370 nan 0.000 0.492 141 F N 0.671 120.637 119.950 0.026 0.000 2.802 141 F HA 0.074 4.601 4.527 -0.000 0.000 0.300 141 F C 1.591 177.339 175.800 -0.088 0.000 1.168 141 F CA 0.367 58.351 58.000 -0.026 0.000 1.433 141 F CB -0.221 38.782 39.000 0.006 0.000 1.115 141 F HN -0.135 nan 8.300 nan 0.000 0.582 142 Q N -0.133 119.601 119.800 -0.109 0.000 2.294 142 Q HA 0.101 4.441 4.340 -0.000 0.000 0.256 142 Q C -1.162 174.528 176.000 -0.517 0.000 0.907 142 Q CA 0.096 55.717 55.803 -0.304 0.000 0.954 142 Q CB -0.199 28.279 28.738 -0.433 0.000 1.102 142 Q HN 0.404 nan 8.270 nan 0.000 0.429 143 Y N -0.557 119.733 120.300 -0.017 0.000 2.406 143 Y HA 0.176 4.726 4.550 -0.000 0.000 0.340 143 Y C 0.419 176.326 175.900 0.012 0.000 0.975 143 Y CA -1.213 56.877 58.100 -0.015 0.000 1.056 143 Y CB 1.603 40.080 38.460 0.028 0.000 1.210 143 Y HN 0.060 nan 8.280 nan 0.000 0.448 144 S N 1.285 117.094 115.700 0.181 0.000 2.566 144 S HA -0.141 4.329 4.470 -0.000 0.000 0.280 144 S C 0.868 175.577 174.600 0.180 0.000 1.343 144 S CA -0.434 57.873 58.200 0.179 0.000 1.036 144 S CB 0.398 63.721 63.200 0.205 0.000 0.866 144 S HN 0.786 nan 8.310 nan 0.000 0.526 145 Y N 1.920 122.196 120.300 -0.040 0.000 2.139 145 Y HA -0.243 4.307 4.550 -0.000 0.000 0.282 145 Y C 1.373 177.129 175.900 -0.239 0.000 1.179 145 Y CA 1.651 59.601 58.100 -0.250 0.000 1.161 145 Y CB -0.494 37.598 38.460 -0.614 0.000 0.970 145 Y HN 0.679 nan 8.280 nan 0.000 0.511 146 F N -1.091 118.921 119.950 0.103 0.000 2.473 146 F HA 0.180 4.707 4.527 -0.000 0.000 0.294 146 F C 2.540 178.309 175.800 -0.052 0.000 1.103 146 F CA 0.734 58.726 58.000 -0.012 0.000 1.442 146 F CB -0.982 38.070 39.000 0.086 0.000 1.097 146 F HN 0.025 nan 8.300 nan 0.000 0.547 147 G N 0.130 109.018 108.800 0.147 0.000 2.404 147 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.215 147 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.215 147 G C 1.601 176.454 174.900 -0.078 0.000 1.174 147 G CA 0.700 45.829 45.100 0.048 0.000 0.780 147 G HN 0.359 nan 8.290 nan 0.000 0.537 148 F N 1.530 121.361 119.950 -0.198 0.000 2.146 148 F HA 0.084 4.611 4.527 -0.000 0.000 0.298 148 F C 2.516 178.149 175.800 -0.278 0.000 1.096 148 F CA 1.532 59.344 58.000 -0.314 0.000 1.275 148 F CB 0.004 38.855 39.000 -0.249 0.000 1.008 148 F HN -0.037 nan 8.300 nan 0.000 0.480 149 K N 0.360 120.526 120.400 -0.388 0.000 2.103 149 K HA -0.106 4.214 4.320 -0.000 0.000 0.207 149 K C 2.068 178.492 176.600 -0.294 0.000 1.048 149 K CA 1.880 57.914 56.287 -0.422 0.000 0.930 149 K CB -1.046 31.229 32.500 -0.374 0.000 0.716 149 K HN 0.299 nan 8.250 nan 0.000 0.444 150 T N 1.198 115.643 114.554 -0.180 0.000 2.674 150 T HA -0.110 4.240 4.350 -0.000 0.000 0.265 150 T C 1.792 176.476 174.700 -0.026 0.000 1.039 150 T CA 1.273 63.339 62.100 -0.058 0.000 1.150 150 T CB -0.273 68.588 68.868 -0.012 0.000 0.864 150 T HN 0.089 nan 8.240 nan 0.000 0.427 151 L N 0.697 121.802 121.223 -0.197 0.000 2.012 151 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 151 L C 2.883 179.654 176.870 -0.165 0.000 1.073 151 L CA 1.633 56.373 54.840 -0.167 0.000 0.748 151 L CB -0.479 41.325 42.059 -0.425 0.000 0.891 151 L HN 0.371 nan 8.230 nan 0.000 0.431 152 E N 0.258 120.185 120.200 -0.455 0.000 2.110 152 E HA -0.282 4.068 4.350 -0.000 0.000 0.193 152 E C 2.303 178.795 176.600 -0.180 0.000 0.988 152 E CA 1.129 57.291 56.400 -0.398 0.000 0.804 152 E CB 0.081 29.395 29.700 -0.643 0.000 0.745 152 E HN 0.332 nan 8.360 nan 0.000 0.458 153 R N -0.427 119.990 120.500 -0.139 0.000 2.115 153 R HA -0.028 4.312 4.340 -0.000 0.000 0.226 153 R C 1.336 177.598 176.300 -0.063 0.000 1.100 153 R CA 1.806 57.860 56.100 -0.077 0.000 0.980 153 R CB 0.200 30.469 30.300 -0.052 0.000 0.875 153 R HN 0.042 nan 8.270 nan 0.000 0.445 154 S N -2.123 113.552 115.700 -0.043 0.000 2.648 154 S HA 0.166 4.635 4.470 -0.000 0.000 0.270 154 S C 0.643 175.153 174.600 -0.149 0.000 1.082 154 S CA -0.465 57.650 58.200 -0.141 0.000 1.116 154 S CB 0.188 63.252 63.200 -0.226 0.000 1.040 154 S HN 0.250 nan 8.310 nan 0.000 0.572 155 Y N 0.964 121.330 120.300 0.111 0.000 2.609 155 Y HA 0.468 5.018 4.550 -0.000 0.000 0.281 155 Y C 0.216 176.161 175.900 0.076 0.000 1.132 155 Y CA -0.523 57.662 58.100 0.142 0.000 1.264 155 Y CB 0.096 38.557 38.460 0.001 0.000 1.325 155 Y HN 0.088 nan 8.280 nan 0.000 0.514 156 L N 2.029 123.340 121.223 0.147 0.000 2.462 156 L HA 0.037 4.377 4.340 -0.000 0.000 0.272 156 L C -0.097 176.815 176.870 0.070 0.000 1.166 156 L CA -0.079 54.817 54.840 0.093 0.000 0.880 156 L CB -0.203 41.871 42.059 0.026 0.000 1.142 156 L HN 0.121 nan 8.230 nan 0.000 0.473 157 L N 5.296 126.569 121.223 0.084 0.000 2.455 157 L HA 0.157 4.497 4.340 -0.000 0.000 0.272 157 L C 0.712 177.584 176.870 0.004 0.000 1.174 157 L CA -0.003 54.858 54.840 0.035 0.000 0.869 157 L CB 0.007 42.092 42.059 0.043 0.000 1.130 157 L HN 0.555 nan 8.230 nan 0.000 0.474 158 R N 3.200 123.670 120.500 -0.049 0.000 2.604 158 R HA 0.375 4.715 4.340 -0.000 0.000 0.287 158 R C 0.502 176.728 176.300 -0.124 0.000 0.970 158 R CA -0.741 55.323 56.100 -0.060 0.000 0.946 158 R CB 2.466 32.725 30.300 -0.069 0.000 1.127 158 R HN 0.604 nan 8.270 nan 0.000 0.473 159 I N 1.336 121.858 120.570 -0.080 0.000 3.313 159 I HA -0.007 4.162 4.170 -0.000 0.000 0.233 159 I C 0.024 176.119 176.117 -0.038 0.000 1.050 159 I CA 0.736 61.975 61.300 -0.102 0.000 1.499 159 I CB 0.211 38.225 38.000 0.023 0.000 1.373 159 I HN 0.620 nan 8.210 nan 0.000 0.458 160 N N 0.696 119.431 118.700 0.059 0.000 3.025 160 N HA 0.293 5.033 4.740 -0.000 0.000 0.315 160 N C 0.512 176.045 175.510 0.037 0.000 1.511 160 N CA 0.540 53.645 53.050 0.092 0.000 1.097 160 N CB 0.421 38.978 38.487 0.117 0.000 1.395 160 N HN 0.596 nan 8.380 nan 0.000 0.511 161 G N 0.612 109.410 108.800 -0.003 0.000 2.189 161 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.267 161 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.267 161 G C 0.143 175.043 174.900 -0.000 0.000 0.975 161 G CA 0.271 45.365 45.100 -0.010 0.000 0.644 161 G HN 0.512 nan 8.290 nan 0.000 0.537 162 Q N 0.105 119.911 119.800 0.010 0.000 2.282 162 Q HA 0.621 4.961 4.340 -0.000 0.000 0.260 162 Q C 0.472 176.484 176.000 0.020 0.000 0.964 162 Q CA -0.803 55.013 55.803 0.021 0.000 0.880 162 Q CB 1.777 30.536 28.738 0.036 0.000 1.286 162 Q HN 0.230 nan 8.270 nan 0.000 0.445 163 V N 3.285 123.216 119.914 0.029 0.000 2.788 163 V HA 0.101 4.221 4.120 -0.000 0.000 0.307 163 V C 0.641 176.773 176.094 0.064 0.000 1.069 163 V CA 1.365 63.688 62.300 0.039 0.000 1.173 163 V CB 0.858 32.710 31.823 0.047 0.000 0.925 163 V HN 1.030 nan 8.190 nan 0.000 0.492 164 A N 3.710 126.574 122.820 0.073 0.000 2.141 164 A HA 0.294 4.614 4.320 -0.000 0.000 0.201 164 A C 0.773 178.456 177.584 0.166 0.000 1.344 164 A CA -0.117 51.976 52.037 0.093 0.000 0.971 164 A CB 0.209 19.240 19.000 0.051 0.000 1.035 164 A HN 0.733 nan 8.150 nan 0.000 0.480 165 E N 1.082 121.398 120.200 0.193 0.000 2.174 165 E HA 0.362 4.712 4.350 -0.000 0.000 0.282 165 E C -0.551 176.245 176.600 0.327 0.000 0.992 165 E CA -0.537 56.060 56.400 0.328 0.000 0.803 165 E CB 1.155 31.004 29.700 0.249 0.000 1.090 165 E HN 0.339 nan 8.360 nan 0.000 0.396 166 R N 3.202 123.954 120.500 0.419 0.000 2.615 166 R HA 0.096 4.436 4.340 -0.000 0.000 0.270 166 R C -1.662 174.729 176.300 0.151 0.000 1.081 166 R CA -1.532 54.676 56.100 0.179 0.000 1.154 166 R CB 0.052 30.346 30.300 -0.011 0.000 1.063 166 R HN 0.301 nan 8.270 nan 0.000 0.519 167 P HA -0.185 nan 4.420 nan 0.000 0.218 167 P C 0.805 178.175 177.300 0.117 0.000 1.148 167 P CA 1.191 64.342 63.100 0.086 0.000 0.822 167 P CB 0.258 31.987 31.700 0.049 0.000 0.784 168 Q N -1.348 118.507 119.800 0.092 0.000 2.119 168 Q HA -0.165 4.175 4.340 -0.000 0.000 0.201 168 Q C 2.142 178.220 176.000 0.129 0.000 0.972 168 Q CA 1.581 57.429 55.803 0.074 0.000 0.847 168 Q CB -1.120 27.554 28.738 -0.106 0.000 0.903 168 Q HN 0.574 nan 8.270 nan 0.000 0.433 169 H N 0.374 119.575 119.070 0.219 0.000 2.321 169 H HA -0.104 4.452 4.556 -0.000 0.000 0.300 169 H C 2.104 177.595 175.328 0.271 0.000 1.087 169 H CA 0.792 57.024 56.048 0.307 0.000 1.319 169 H CB 0.048 30.074 29.762 0.439 0.000 1.379 169 H HN 0.072 nan 8.280 nan 0.000 0.501 170 L N 1.463 122.892 121.223 0.345 0.000 1.990 170 L HA -0.206 4.133 4.340 -0.000 0.000 0.213 170 L C 2.118 179.097 176.870 0.181 0.000 1.072 170 L CA 1.789 56.769 54.840 0.233 0.000 0.755 170 L CB -0.977 41.175 42.059 0.155 0.000 0.889 170 L HN 0.323 nan 8.230 nan 0.000 0.432 171 I N -0.589 120.069 120.570 0.146 0.000 2.226 171 I HA -0.351 3.819 4.170 -0.000 0.000 0.245 171 I C 2.615 178.830 176.117 0.165 0.000 1.100 171 I CA 1.580 62.949 61.300 0.114 0.000 1.374 171 I CB -0.258 37.756 38.000 0.023 0.000 1.057 171 I HN 0.320 nan 8.210 nan 0.000 0.413 172 M N 0.589 120.276 119.600 0.144 0.000 2.086 172 M HA -0.207 4.273 4.480 -0.000 0.000 0.261 172 M C 2.378 178.735 176.300 0.095 0.000 1.067 172 M CA 1.737 57.016 55.300 -0.035 0.000 1.116 172 M CB -0.424 31.748 32.600 -0.713 0.000 1.348 172 M HN 0.015 nan 8.290 nan 0.000 0.407 173 R N -0.700 119.947 120.500 0.245 0.000 2.103 173 R HA -0.160 4.180 4.340 -0.000 0.000 0.242 173 R C 1.669 178.077 176.300 0.181 0.000 1.142 173 R CA 2.172 58.449 56.100 0.296 0.000 0.960 173 R CB -0.559 29.921 30.300 0.301 0.000 0.858 173 R HN 0.370 nan 8.270 nan 0.000 0.439 174 V N 0.849 120.851 119.914 0.147 0.000 2.453 174 V HA -0.142 3.978 4.120 -0.000 0.000 0.247 174 V C 2.504 178.656 176.094 0.095 0.000 1.048 174 V CA 1.716 64.073 62.300 0.095 0.000 1.049 174 V CB -0.629 31.243 31.823 0.081 0.000 0.672 174 V HN 0.563 nan 8.190 nan 0.000 0.457 175 A N -0.217 122.694 122.820 0.150 0.000 1.933 175 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 175 A C 2.074 179.792 177.584 0.225 0.000 1.175 175 A CA 1.584 53.755 52.037 0.222 0.000 0.628 175 A CB -0.450 18.683 19.000 0.221 0.000 0.814 175 A HN 0.402 nan 8.150 nan 0.000 0.444 176 L N -0.383 120.938 121.223 0.162 0.000 2.240 176 L HA 0.046 4.386 4.340 -0.000 0.000 0.211 176 L C 2.603 179.536 176.870 0.104 0.000 1.106 176 L CA 1.502 56.430 54.840 0.145 0.000 0.793 176 L CB -1.507 40.647 42.059 0.159 0.000 0.927 176 L HN 0.394 nan 8.230 nan 0.000 0.446 177 G N -0.599 108.251 108.800 0.082 0.000 2.408 177 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.217 177 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.217 177 G C 1.685 176.571 174.900 -0.022 0.000 1.150 177 G CA 0.774 45.897 45.100 0.039 0.000 0.776 177 G HN 0.370 nan 8.290 nan 0.000 0.542 178 I N -0.385 120.135 120.570 -0.084 0.000 2.296 178 I HA 0.098 4.268 4.170 -0.000 0.000 0.242 178 I C 0.839 176.758 176.117 -0.330 0.000 1.087 178 I CA 0.273 61.416 61.300 -0.262 0.000 1.393 178 I CB -0.182 37.567 38.000 -0.417 0.000 1.093 178 I HN 0.082 nan 8.210 nan 0.000 0.421 179 H N -0.440 118.651 119.070 0.035 0.000 2.483 179 H HA 0.448 5.004 4.556 -0.000 0.000 0.338 179 H C 0.698 176.048 175.328 0.037 0.000 1.152 179 H CA -0.065 56.006 56.048 0.038 0.000 1.264 179 H CB 1.275 31.064 29.762 0.045 0.000 1.510 179 H HN 0.028 nan 8.280 nan 0.000 0.530 180 G N 0.302 109.189 108.800 0.146 0.000 2.756 180 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.203 180 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.203 180 G C 0.753 175.701 174.900 0.079 0.000 2.015 180 G CA -0.551 44.601 45.100 0.088 0.000 0.835 180 G HN 0.505 nan 8.290 nan 0.000 0.648 181 R N 0.960 121.495 120.500 0.059 0.000 2.328 181 R HA 0.061 4.401 4.340 -0.000 0.000 0.200 181 R C -0.116 176.210 176.300 0.044 0.000 0.983 181 R CA -0.002 56.124 56.100 0.042 0.000 1.062 181 R CB 0.117 30.434 30.300 0.030 0.000 0.956 181 R HN 0.207 nan 8.270 nan 0.000 0.479 182 D N 1.569 122.011 120.400 0.069 0.000 2.608 182 D HA 0.018 4.658 4.640 -0.000 0.000 0.224 182 D C 1.164 177.477 176.300 0.022 0.000 1.123 182 D CA -0.123 53.908 54.000 0.052 0.000 1.030 182 D CB 0.244 41.093 40.800 0.083 0.000 1.093 182 D HN -0.017 nan 8.370 nan 0.000 0.497 183 I N 1.295 121.870 120.570 0.008 0.000 2.394 183 I HA -0.161 4.009 4.170 -0.000 0.000 0.251 183 I C 2.091 178.188 176.117 -0.034 0.000 1.136 183 I CA 0.702 61.999 61.300 -0.005 0.000 1.425 183 I CB -0.663 37.334 38.000 -0.005 0.000 1.079 183 I HN 0.490 nan 8.210 nan 0.000 0.425 184 E N 1.733 121.909 120.200 -0.040 0.000 2.017 184 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 184 E C 2.334 178.874 176.600 -0.100 0.000 0.997 184 E CA 1.645 58.013 56.400 -0.053 0.000 0.804 184 E CB 0.018 29.693 29.700 -0.042 0.000 0.757 184 E HN 0.345 nan 8.360 nan 0.000 0.448 185 A N 1.450 124.173 122.820 -0.162 0.000 1.917 185 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 185 A C 2.455 179.733 177.584 -0.509 0.000 1.182 185 A CA 2.315 54.126 52.037 -0.377 0.000 0.633 185 A CB -1.013 17.691 19.000 -0.492 0.000 0.819 185 A HN 0.484 nan 8.150 nan 0.000 0.448 186 A N -0.588 122.065 122.820 -0.279 0.000 1.865 186 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 186 A C 2.015 179.606 177.584 0.013 0.000 1.191 186 A CA 1.871 53.882 52.037 -0.043 0.000 0.623 186 A CB -0.682 18.354 19.000 0.060 0.000 0.826 186 A HN 0.415 nan 8.150 nan 0.000 0.444 187 L N 0.056 121.272 121.223 -0.012 0.000 2.042 187 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 187 L C 2.457 179.369 176.870 0.071 0.000 1.076 187 L CA 2.255 57.112 54.840 0.028 0.000 0.749 187 L CB -1.061 40.986 42.059 -0.020 0.000 0.893 187 L HN 0.655 nan 8.230 nan 0.000 0.432 188 E N -0.743 119.458 120.200 0.001 0.000 2.038 188 E HA -0.270 4.080 4.350 -0.000 0.000 0.195 188 E C 2.028 178.663 176.600 0.058 0.000 1.000 188 E CA 2.125 58.530 56.400 0.009 0.000 0.803 188 E CB 0.022 29.702 29.700 -0.034 0.000 0.750 188 E HN 0.585 nan 8.360 nan 0.000 0.448 189 T N -1.640 112.965 114.554 0.086 0.000 3.023 189 T HA -0.161 4.189 4.350 -0.000 0.000 0.266 189 T C 1.869 176.622 174.700 0.088 0.000 1.093 189 T CA 0.904 63.125 62.100 0.201 0.000 1.129 189 T CB -0.560 68.576 68.868 0.447 0.000 0.899 189 T HN 0.381 nan 8.240 nan 0.000 0.491 190 Y N 2.496 122.798 120.300 0.003 0.000 2.151 190 Y HA -0.164 4.385 4.550 -0.000 0.000 0.284 190 Y C 2.184 178.039 175.900 -0.076 0.000 1.166 190 Y CA 1.875 59.943 58.100 -0.053 0.000 1.163 190 Y CB -0.819 37.586 38.460 -0.092 0.000 0.974 190 Y HN 0.278 nan 8.280 nan 0.000 0.511 191 N N -0.039 118.603 118.700 -0.097 0.000 2.080 191 N HA -0.157 4.583 4.740 -0.000 0.000 0.189 191 N C 1.716 177.099 175.510 -0.210 0.000 1.036 191 N CA 1.995 54.952 53.050 -0.155 0.000 0.846 191 N CB -0.391 38.104 38.487 0.014 0.000 1.015 191 N HN 0.425 nan 8.380 nan 0.000 0.423 192 L N -0.363 120.776 121.223 -0.140 0.000 2.141 192 L HA -0.041 4.299 4.340 -0.000 0.000 0.209 192 L C 2.166 178.875 176.870 -0.269 0.000 1.094 192 L CA 0.766 55.555 54.840 -0.084 0.000 0.763 192 L CB -0.258 41.798 42.059 -0.005 0.000 0.908 192 L HN 0.279 nan 8.230 nan 0.000 0.437 193 M N -1.338 117.944 119.600 -0.531 0.000 2.287 193 M HA -0.130 4.349 4.480 -0.000 0.000 0.266 193 M C 2.603 178.668 176.300 -0.392 0.000 1.079 193 M CA 1.175 56.123 55.300 -0.587 0.000 1.146 193 M CB -0.156 32.131 32.600 -0.521 0.000 1.374 193 M HN 0.186 nan 8.290 nan 0.000 0.435 194 S N 1.030 116.441 115.700 -0.481 0.000 2.370 194 S HA -0.098 4.372 4.470 -0.000 0.000 0.226 194 S C 1.485 175.887 174.600 -0.330 0.000 1.033 194 S CA 1.180 59.079 58.200 -0.502 0.000 1.011 194 S CB -0.251 62.369 63.200 -0.968 0.000 0.852 194 S HN 0.463 nan 8.310 nan 0.000 0.457 195 L N 0.768 121.839 121.223 -0.254 0.000 2.645 195 L HA 0.315 4.655 4.340 -0.000 0.000 0.234 195 L C 0.651 177.310 176.870 -0.353 0.000 1.165 195 L CA 0.043 54.752 54.840 -0.218 0.000 0.944 195 L CB -0.345 41.690 42.059 -0.041 0.000 1.149 195 L HN 0.239 nan 8.230 nan 0.000 0.446 196 K N -2.032 118.183 120.400 -0.308 0.000 3.160 196 K HA -0.278 4.042 4.320 -0.000 0.000 0.280 196 K C 0.564 176.974 176.600 -0.317 0.000 1.154 196 K CA 0.705 56.826 56.287 -0.277 0.000 0.822 196 K CB -1.915 30.442 32.500 -0.238 0.000 1.239 196 K HN 0.288 nan 8.250 nan 0.000 0.489 197 Y N -0.176 119.983 120.300 -0.234 0.000 2.242 197 Y HA -0.075 4.475 4.550 -0.000 0.000 0.291 197 Y C 1.146 177.101 175.900 0.090 0.000 1.137 197 Y CA 1.565 59.568 58.100 -0.162 0.000 1.181 197 Y CB 0.164 38.584 38.460 -0.067 0.000 0.989 197 Y HN 0.340 nan 8.280 nan 0.000 0.527 198 F N -3.839 116.182 119.950 0.117 0.000 2.817 198 F HA 0.650 5.177 4.527 -0.000 0.000 0.317 198 F C -0.906 174.907 175.800 0.021 0.000 1.168 198 F CA -1.262 56.780 58.000 0.069 0.000 0.911 198 F CB 1.619 40.656 39.000 0.062 0.000 1.337 198 F HN -0.435 nan 8.300 nan 0.000 0.464 199 T N -0.396 114.321 114.554 0.272 0.000 2.868 199 T HA 0.379 4.728 4.350 -0.000 0.000 0.306 199 T C -1.768 173.014 174.700 0.136 0.000 1.224 199 T CA -0.451 61.735 62.100 0.143 0.000 1.012 199 T CB 1.191 70.082 68.868 0.038 0.000 1.221 199 T HN 0.811 nan 8.240 nan 0.000 0.499 200 H N 0.820 119.992 119.070 0.171 0.000 2.508 200 H HA 0.626 5.182 4.556 -0.000 0.000 0.358 200 H C 0.758 176.111 175.328 0.043 0.000 1.212 200 H CA -0.101 56.019 56.048 0.119 0.000 1.356 200 H CB 1.436 31.265 29.762 0.110 0.000 1.525 200 H HN 0.871 nan 8.280 nan 0.000 0.578 201 A N 1.172 124.093 122.820 0.167 0.000 2.429 201 A HA 0.010 4.330 4.320 -0.000 0.000 0.242 201 A C 1.477 179.080 177.584 0.031 0.000 1.088 201 A CA 0.219 52.309 52.037 0.089 0.000 0.784 201 A CB 0.111 19.172 19.000 0.101 0.000 1.038 201 A HN 0.822 nan 8.150 nan 0.000 0.501 202 S N 1.381 117.071 115.700 -0.017 0.000 2.374 202 S HA -0.119 4.351 4.470 -0.000 0.000 0.227 202 S C -0.698 173.719 174.600 -0.305 0.000 1.037 202 S CA 2.229 60.316 58.200 -0.189 0.000 1.024 202 S CB -1.176 61.953 63.200 -0.118 0.000 0.861 202 S HN 0.718 nan 8.310 nan 0.000 0.456 203 P HA -0.034 nan 4.420 nan 0.000 0.217 203 P C 1.440 178.833 177.300 0.154 0.000 1.150 203 P CA 1.239 64.477 63.100 0.229 0.000 0.832 203 P CB -0.299 31.542 31.700 0.236 0.000 0.787 204 T N 0.173 114.779 114.554 0.086 0.000 2.674 204 T HA -0.121 4.228 4.350 -0.000 0.000 0.265 204 T C 1.745 176.480 174.700 0.057 0.000 1.039 204 T CA 1.220 63.355 62.100 0.057 0.000 1.150 204 T CB -1.076 67.814 68.868 0.037 0.000 0.864 204 T HN 0.064 nan 8.240 nan 0.000 0.427 205 L N -0.321 120.910 121.223 0.013 0.000 2.079 205 L HA -0.084 4.256 4.340 -0.000 0.000 0.210 205 L C 2.397 179.351 176.870 0.141 0.000 1.081 205 L CA 1.575 56.430 54.840 0.025 0.000 0.752 205 L CB -0.829 41.179 42.059 -0.084 0.000 0.896 205 L HN 0.273 nan 8.230 nan 0.000 0.433 206 F N 0.353 120.422 119.950 0.198 0.000 2.084 206 F HA -0.181 4.346 4.527 -0.000 0.000 0.296 206 F C 2.122 177.962 175.800 0.066 0.000 1.111 206 F CA 1.558 59.618 58.000 0.100 0.000 1.224 206 F CB -0.176 38.848 39.000 0.039 0.000 0.991 206 F HN 0.164 nan 8.300 nan 0.000 0.471 207 N N -0.546 118.313 118.700 0.265 0.000 2.348 207 N HA 0.201 4.941 4.740 -0.000 0.000 0.183 207 N C 0.299 175.871 175.510 0.104 0.000 1.094 207 N CA 0.014 53.158 53.050 0.156 0.000 0.885 207 N CB 0.197 38.767 38.487 0.138 0.000 1.065 207 N HN 0.010 nan 8.380 nan 0.000 0.472 208 A N 0.817 123.693 122.820 0.094 0.000 2.566 208 A HA 0.375 4.695 4.320 -0.000 0.000 0.245 208 A C 1.495 179.130 177.584 0.085 0.000 1.056 208 A CA 0.987 53.062 52.037 0.064 0.000 0.757 208 A CB -0.684 18.337 19.000 0.036 0.000 0.979 208 A HN 0.494 nan 8.150 nan 0.000 0.508 209 G N 1.791 110.636 108.800 0.076 0.000 2.199 209 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.254 209 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.254 209 G C 0.610 175.561 174.900 0.084 0.000 0.982 209 G CA 1.149 46.303 45.100 0.090 0.000 0.632 209 G HN 2.162 nan 8.290 nan 0.000 0.529 210 T N -2.111 112.484 114.554 0.068 0.000 2.912 210 T HA 0.665 5.015 4.350 -0.000 0.000 0.280 210 T C -0.993 173.721 174.700 0.024 0.000 0.989 210 T CA -0.981 61.148 62.100 0.050 0.000 0.995 210 T CB 2.363 71.252 68.868 0.035 0.000 1.077 210 T HN -0.104 nan 8.240 nan 0.000 0.531 211 P HA -0.025 nan 4.420 nan 0.000 0.219 211 P C -0.029 177.196 177.300 -0.125 0.000 1.146 211 P CA 1.101 64.183 63.100 -0.030 0.000 0.808 211 P CB -0.120 31.558 31.700 -0.038 0.000 0.779 212 K N -1.561 118.746 120.400 -0.155 0.000 2.847 212 K HA 0.339 4.659 4.320 -0.000 0.000 0.213 212 K C -2.566 173.950 176.600 -0.140 0.000 1.174 212 K CA -1.779 54.319 56.287 -0.315 0.000 1.095 212 K CB -0.179 32.163 32.500 -0.265 0.000 1.581 212 K HN -0.024 nan 8.250 nan 0.000 0.514 213 P HA -0.018 nan 4.420 nan 0.000 0.226 213 P C -0.737 176.622 177.300 0.099 0.000 1.783 213 P CA -0.177 62.951 63.100 0.048 0.000 0.980 213 P CB 0.231 31.966 31.700 0.058 0.000 1.967 214 Q N 1.569 121.444 119.800 0.125 0.000 2.344 214 Q HA 0.245 4.585 4.340 -0.000 0.000 0.253 214 Q C 0.468 176.549 176.000 0.133 0.000 1.050 214 Q CA 0.361 56.263 55.803 0.165 0.000 0.912 214 Q CB 0.539 29.410 28.738 0.223 0.000 1.258 214 Q HN 0.363 nan 8.270 nan 0.000 0.443 215 M N 0.507 120.155 119.600 0.081 0.000 2.308 215 M HA 0.145 4.625 4.480 -0.000 0.000 0.269 215 M C 0.330 176.676 176.300 0.076 0.000 1.040 215 M CA -0.050 55.293 55.300 0.071 0.000 1.024 215 M CB 0.863 33.470 32.600 0.012 0.000 1.465 215 M HN 0.189 nan 8.290 nan 0.000 0.517 216 S N -0.211 115.535 115.700 0.076 0.000 2.601 216 S HA 0.231 4.701 4.470 -0.000 0.000 0.271 216 S C 0.990 175.678 174.600 0.146 0.000 1.305 216 S CA -0.498 57.718 58.200 0.028 0.000 1.022 216 S CB 1.717 64.820 63.200 -0.160 0.000 0.940 216 S HN 0.127 nan 8.310 nan 0.000 0.525 217 S N 0.026 115.770 115.700 0.074 0.000 2.499 217 S HA 0.169 4.639 4.470 -0.000 0.000 0.225 217 S C 0.166 174.879 174.600 0.188 0.000 1.050 217 S CA 0.002 58.296 58.200 0.157 0.000 0.928 217 S CB 0.196 63.462 63.200 0.109 0.000 0.803 217 S HN 0.810 nan 8.310 nan 0.000 0.506 218 C N 1.641 120.932 119.300 -0.015 0.000 2.482 218 C HA 0.749 5.209 4.460 -0.000 0.000 0.317 218 C C -1.012 173.823 174.990 -0.258 0.000 1.197 218 C CA -1.261 57.764 59.018 0.013 0.000 1.432 218 C CB -0.011 27.713 27.740 -0.026 0.000 2.062 218 C HN 0.328 nan 8.230 nan 0.000 0.471 219 F N 2.615 122.569 119.950 0.006 0.000 2.518 219 F HA 0.628 5.154 4.527 -0.000 0.000 0.323 219 F C -0.106 175.665 175.800 -0.049 0.000 1.129 219 F CA -0.838 57.154 58.000 -0.013 0.000 0.920 219 F CB 1.141 40.128 39.000 -0.021 0.000 1.160 219 F HN 0.302 nan 8.300 nan 0.000 0.440 220 L N 4.856 126.111 121.223 0.053 0.000 2.280 220 L HA 0.684 5.024 4.340 -0.000 0.000 0.287 220 L C -0.750 176.096 176.870 -0.041 0.000 1.023 220 L CA -0.889 53.932 54.840 -0.031 0.000 0.819 220 L CB 1.167 43.162 42.059 -0.106 0.000 1.212 220 L HN 0.274 nan 8.230 nan 0.000 0.420 221 V N 2.065 121.921 119.914 -0.097 0.000 2.513 221 V HA 0.647 4.767 4.120 -0.000 0.000 0.299 221 V C 0.462 176.326 176.094 -0.384 0.000 1.035 221 V CA -0.601 61.608 62.300 -0.153 0.000 0.889 221 V CB 1.811 33.560 31.823 -0.124 0.000 0.988 221 V HN 0.883 nan 8.190 nan 0.000 0.440 222 A N 4.725 127.300 122.820 -0.407 0.000 2.309 222 A HA 0.744 5.064 4.320 -0.000 0.000 0.298 222 A C -0.160 177.163 177.584 -0.435 0.000 1.165 222 A CA -0.585 51.016 52.037 -0.727 0.000 0.821 222 A CB 0.697 19.520 19.000 -0.295 0.000 1.102 222 A HN 0.908 nan 8.150 nan 0.000 0.500 223 M N 2.596 121.910 119.600 -0.477 0.000 2.268 223 M HA 0.164 4.644 4.480 -0.000 0.000 0.349 223 M C 0.826 177.058 176.300 -0.113 0.000 1.485 223 M CA 0.532 55.692 55.300 -0.234 0.000 1.094 223 M CB -0.163 32.298 32.600 -0.231 0.000 1.843 223 M HN 0.768 nan 8.290 nan 0.000 0.460 224 K N 2.424 122.793 120.400 -0.051 0.000 2.063 224 K HA -0.054 4.266 4.320 -0.000 0.000 0.208 224 K C 0.016 176.627 176.600 0.018 0.000 1.048 224 K CA 1.597 57.879 56.287 -0.009 0.000 0.928 224 K CB 0.139 32.648 32.500 0.014 0.000 0.713 224 K HN 0.791 nan 8.250 nan 0.000 0.442 225 E N -0.280 119.937 120.200 0.028 0.000 2.552 225 E HA -0.039 4.311 4.350 -0.000 0.000 0.297 225 E C -1.997 174.635 176.600 0.053 0.000 1.038 225 E CA -0.339 56.089 56.400 0.047 0.000 0.856 225 E CB 1.163 30.893 29.700 0.051 0.000 1.222 225 E HN -0.060 nan 8.360 nan 0.000 0.422 226 D N 2.554 122.990 120.400 0.061 0.000 2.489 226 D HA 0.216 4.856 4.640 -0.000 0.000 0.237 226 D C -1.081 175.256 176.300 0.062 0.000 1.212 226 D CA 0.764 54.802 54.000 0.064 0.000 1.058 226 D CB -0.147 40.698 40.800 0.075 0.000 1.098 226 D HN 0.436 nan 8.370 nan 0.000 0.509 227 S N 2.175 117.917 115.700 0.070 0.000 2.611 227 S HA 0.202 4.672 4.470 -0.000 0.000 0.270 227 S C 0.747 175.411 174.600 0.106 0.000 1.131 227 S CA -0.872 57.371 58.200 0.072 0.000 0.826 227 S CB 0.375 63.611 63.200 0.060 0.000 1.095 227 S HN -0.023 nan 8.310 nan 0.000 0.461 228 I N 1.450 122.084 120.570 0.107 0.000 2.286 228 I HA -0.074 4.096 4.170 -0.000 0.000 0.248 228 I C 2.586 178.821 176.117 0.195 0.000 1.115 228 I CA 1.723 63.124 61.300 0.167 0.000 1.392 228 I CB -1.166 36.880 38.000 0.077 0.000 1.065 228 I HN 0.922 nan 8.210 nan 0.000 0.418 229 E N 0.675 120.942 120.200 0.112 0.000 2.072 229 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 229 E C 2.280 178.952 176.600 0.120 0.000 0.985 229 E CA 1.177 57.639 56.400 0.105 0.000 0.801 229 E CB -0.133 29.603 29.700 0.061 0.000 0.750 229 E HN 0.496 nan 8.360 nan 0.000 0.452 230 G N 1.378 110.239 108.800 0.101 0.000 2.421 230 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 230 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 230 G C 1.596 176.552 174.900 0.093 0.000 1.171 230 G CA 0.759 45.908 45.100 0.081 0.000 0.775 230 G HN 0.191 nan 8.290 nan 0.000 0.543 231 I N -0.744 119.896 120.570 0.117 0.000 2.179 231 I HA -0.192 3.978 4.170 -0.000 0.000 0.242 231 I C 2.445 178.548 176.117 -0.024 0.000 1.088 231 I CA 1.147 62.500 61.300 0.088 0.000 1.357 231 I CB -0.306 37.750 38.000 0.093 0.000 1.051 231 I HN 0.123 nan 8.210 nan 0.000 0.409 232 Y N 0.583 120.905 120.300 0.035 0.000 2.439 232 Y HA -0.182 4.368 4.550 -0.000 0.000 0.292 232 Y C 2.277 178.170 175.900 -0.012 0.000 1.130 232 Y CA 1.044 59.136 58.100 -0.013 0.000 1.254 232 Y CB -0.290 38.156 38.460 -0.022 0.000 1.000 232 Y HN 0.176 nan 8.280 nan 0.000 0.554 233 D N -0.831 119.636 120.400 0.112 0.000 2.091 233 D HA -0.124 4.516 4.640 -0.000 0.000 0.199 233 D C 2.069 178.390 176.300 0.034 0.000 0.980 233 D CA 1.759 55.798 54.000 0.065 0.000 0.831 233 D CB -0.267 40.569 40.800 0.059 0.000 0.987 233 D HN 0.195 nan 8.370 nan 0.000 0.460 234 T N 1.625 116.206 114.554 0.046 0.000 2.653 234 T HA -0.214 4.136 4.350 -0.000 0.000 0.268 234 T C 1.994 176.734 174.700 0.067 0.000 1.035 234 T CA 0.981 63.123 62.100 0.070 0.000 1.154 234 T CB -0.490 68.455 68.868 0.129 0.000 0.862 234 T HN 0.049 nan 8.240 nan 0.000 0.441 235 L N 1.395 122.581 121.223 -0.061 0.000 2.012 235 L HA -0.085 4.255 4.340 -0.000 0.000 0.210 235 L C 2.450 179.229 176.870 -0.150 0.000 1.073 235 L CA 1.921 56.554 54.840 -0.346 0.000 0.748 235 L CB -0.488 41.150 42.059 -0.702 0.000 0.891 235 L HN 0.116 nan 8.230 nan 0.000 0.431 236 K N -0.480 119.880 120.400 -0.066 0.000 2.057 236 K HA -0.260 4.060 4.320 -0.000 0.000 0.207 236 K C 2.095 178.684 176.600 -0.018 0.000 1.049 236 K CA 1.824 58.101 56.287 -0.016 0.000 0.931 236 K CB -0.235 32.277 32.500 0.020 0.000 0.714 236 K HN 0.516 nan 8.250 nan 0.000 0.440 237 E N 0.251 120.439 120.200 -0.021 0.000 2.049 237 E HA -0.247 4.103 4.350 -0.000 0.000 0.198 237 E C 2.068 178.614 176.600 -0.089 0.000 1.007 237 E CA 2.008 58.383 56.400 -0.042 0.000 0.809 237 E CB -0.123 29.560 29.700 -0.029 0.000 0.749 237 E HN 0.445 nan 8.360 nan 0.000 0.450 238 C N 0.284 119.535 119.300 -0.083 0.000 2.413 238 C HA -0.149 4.311 4.460 -0.000 0.000 0.276 238 C C 2.876 177.816 174.990 -0.083 0.000 1.236 238 C CA 0.972 59.887 59.018 -0.171 0.000 1.735 238 C CB -1.227 26.450 27.740 -0.105 0.000 2.031 238 C HN 0.632 nan 8.230 nan 0.000 0.474 239 A N 0.064 122.899 122.820 0.025 0.000 1.908 239 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 239 A C 2.121 179.717 177.584 0.021 0.000 1.181 239 A CA 1.676 53.761 52.037 0.080 0.000 0.627 239 A CB -0.623 18.422 19.000 0.075 0.000 0.818 239 A HN 0.623 nan 8.150 nan 0.000 0.445 240 L N -0.781 120.428 121.223 -0.023 0.000 2.027 240 L HA -0.152 4.188 4.340 -0.000 0.000 0.206 240 L C 2.525 179.337 176.870 -0.098 0.000 1.074 240 L CA 1.261 56.082 54.840 -0.032 0.000 0.745 240 L CB -0.422 41.623 42.059 -0.023 0.000 0.898 240 L HN 0.385 nan 8.230 nan 0.000 0.433 241 I N -1.029 119.410 120.570 -0.218 0.000 2.127 241 I HA -0.359 3.811 4.170 -0.000 0.000 0.241 241 I C 2.822 178.780 176.117 -0.265 0.000 1.075 241 I CA 1.670 62.709 61.300 -0.435 0.000 1.334 241 I CB -0.337 37.243 38.000 -0.699 0.000 1.040 241 I HN 0.233 nan 8.210 nan 0.000 0.405 242 S N 0.585 116.200 115.700 -0.141 0.000 2.399 242 S HA -0.245 4.225 4.470 -0.000 0.000 0.231 242 S C 2.053 176.662 174.600 0.015 0.000 1.022 242 S CA 1.706 59.909 58.200 0.005 0.000 0.983 242 S CB -0.173 63.142 63.200 0.192 0.000 0.803 242 S HN 0.229 nan 8.310 nan 0.000 0.480 243 K N 1.393 121.790 120.400 -0.005 0.000 2.147 243 K HA -0.040 4.280 4.320 -0.000 0.000 0.205 243 K C 1.434 178.023 176.600 -0.018 0.000 1.049 243 K CA 1.975 58.254 56.287 -0.014 0.000 0.936 243 K CB -0.722 31.775 32.500 -0.006 0.000 0.722 243 K HN 0.537 nan 8.250 nan 0.000 0.446 244 T N -3.020 111.526 114.554 -0.013 0.000 3.258 244 T HA 0.605 4.955 4.350 -0.000 0.000 0.263 244 T C 0.585 175.320 174.700 0.057 0.000 0.983 244 T CA 0.075 62.188 62.100 0.022 0.000 0.907 244 T CB 0.047 68.960 68.868 0.074 0.000 1.096 244 T HN 0.288 nan 8.240 nan 0.000 0.556 245 A N -0.430 122.422 122.820 0.053 0.000 3.383 245 A HA -0.012 4.308 4.320 -0.000 0.000 0.264 245 A C 0.991 178.686 177.584 0.186 0.000 1.154 245 A CA 0.559 52.674 52.037 0.130 0.000 1.179 245 A CB -2.189 16.938 19.000 0.211 0.000 1.133 245 A HN 1.331 nan 8.150 nan 0.000 0.933 246 G N -0.633 108.244 108.800 0.127 0.000 2.448 246 G HA2 0.646 4.606 3.960 -0.000 0.000 0.285 246 G HA3 0.646 4.606 3.960 -0.000 0.000 0.285 246 G C 0.309 175.318 174.900 0.181 0.000 1.176 246 G CA 0.341 45.585 45.100 0.241 0.000 0.852 246 G HN 1.543 nan 8.290 nan 0.000 0.530 247 G N -0.499 108.476 108.800 0.290 0.000 2.400 247 G HA2 0.580 4.540 3.960 -0.000 0.000 0.333 247 G HA3 0.580 4.540 3.960 -0.000 0.000 0.333 247 G C -0.746 174.277 174.900 0.206 0.000 1.143 247 G CA -0.676 44.561 45.100 0.228 0.000 0.914 247 G HN 0.605 nan 8.290 nan 0.000 0.480 248 I N 0.618 121.252 120.570 0.107 0.000 2.493 248 I HA 0.533 4.703 4.170 -0.000 0.000 0.298 248 I C 0.604 176.788 176.117 0.112 0.000 0.998 248 I CA -0.726 60.580 61.300 0.010 0.000 1.137 248 I CB 2.467 40.245 38.000 -0.370 0.000 1.310 248 I HN 0.550 nan 8.210 nan 0.000 0.445 249 G N 5.913 114.768 108.800 0.091 0.000 2.417 249 G HA2 0.624 4.584 3.960 -0.000 0.000 0.320 249 G HA3 0.624 4.584 3.960 -0.000 0.000 0.320 249 G C -1.638 173.273 174.900 0.018 0.000 1.204 249 G CA -0.319 44.864 45.100 0.140 0.000 0.923 249 G HN 0.356 nan 8.290 nan 0.000 0.466 250 L N 3.934 125.193 121.223 0.059 0.000 2.376 250 L HA 0.488 4.827 4.340 -0.000 0.000 0.275 250 L C -0.129 176.655 176.870 -0.143 0.000 0.987 250 L CA -1.067 53.697 54.840 -0.127 0.000 0.828 250 L CB 1.143 43.106 42.059 -0.161 0.000 1.249 250 L HN 0.735 nan 8.230 nan 0.000 0.409 251 H N 4.945 123.842 119.070 -0.289 0.000 2.467 251 H HA 0.489 5.045 4.556 -0.000 0.000 0.331 251 H C 0.100 175.095 175.328 -0.555 0.000 1.120 251 H CA -0.663 55.080 56.048 -0.508 0.000 1.270 251 H CB 1.666 31.067 29.762 -0.602 0.000 1.466 251 H HN 0.809 nan 8.280 nan 0.000 0.504 252 I N -0.455 119.736 120.570 -0.631 0.000 3.994 252 I HA 0.106 4.276 4.170 -0.000 0.000 0.323 252 I C 0.237 176.123 176.117 -0.385 0.000 1.501 252 I CA -0.691 60.334 61.300 -0.458 0.000 1.112 252 I CB -0.051 37.688 38.000 -0.436 0.000 1.254 252 I HN 0.428 nan 8.210 nan 0.000 0.495 253 H N 2.821 121.823 119.070 -0.114 0.000 2.554 253 H HA -0.078 4.478 4.556 -0.000 0.000 0.290 253 H C 0.993 176.433 175.328 0.186 0.000 1.058 253 H CA 1.459 57.483 56.048 -0.040 0.000 1.224 253 H CB -0.447 29.361 29.762 0.076 0.000 1.359 253 H HN 0.704 nan 8.280 nan 0.000 0.589 254 N N 0.319 119.142 118.700 0.204 0.000 2.184 254 N HA -0.003 4.737 4.740 -0.000 0.000 0.206 254 N C 0.244 175.857 175.510 0.173 0.000 1.151 254 N CA -0.128 53.059 53.050 0.228 0.000 0.878 254 N CB 0.532 39.127 38.487 0.180 0.000 1.014 254 N HN 0.027 nan 8.380 nan 0.000 0.512 255 I N 3.079 123.727 120.570 0.130 0.000 2.474 255 I HA 0.113 4.283 4.170 -0.000 0.000 0.287 255 I C 1.086 177.355 176.117 0.252 0.000 1.048 255 I CA -0.601 60.774 61.300 0.125 0.000 1.383 255 I CB 0.946 38.963 38.000 0.029 0.000 1.412 255 I HN 0.165 nan 8.210 nan 0.000 0.531 256 R N 4.274 124.882 120.500 0.179 0.000 2.643 256 R HA 0.276 4.616 4.340 -0.000 0.000 0.270 256 R C 0.164 176.568 176.300 0.174 0.000 1.061 256 R CA -0.469 55.727 56.100 0.161 0.000 1.107 256 R CB 0.177 30.538 30.300 0.101 0.000 0.999 256 R HN 0.673 nan 8.270 nan 0.000 0.460 257 S N 1.175 116.935 115.700 0.099 0.000 2.669 257 S HA 0.148 4.618 4.470 -0.000 0.000 0.270 257 S C -0.060 174.591 174.600 0.084 0.000 1.225 257 S CA -0.706 57.551 58.200 0.095 0.000 0.991 257 S CB 0.969 64.125 63.200 -0.073 0.000 0.987 257 S HN 0.684 nan 8.310 nan 0.000 0.552 258 T N -0.114 114.495 114.554 0.092 0.000 2.891 258 T HA 0.415 4.765 4.350 -0.000 0.000 0.296 258 T C 1.250 175.982 174.700 0.054 0.000 1.025 258 T CA 0.168 62.309 62.100 0.070 0.000 1.149 258 T CB -0.657 68.253 68.868 0.071 0.000 1.007 258 T HN 2.038 nan 8.240 nan 0.000 0.528 259 G N 2.309 111.138 108.800 0.047 0.000 2.212 259 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.255 259 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.255 259 G C 0.071 175.002 174.900 0.051 0.000 1.062 259 G CA -0.106 45.020 45.100 0.043 0.000 0.815 259 G HN 0.954 nan 8.290 nan 0.000 0.497 260 S N -1.034 114.699 115.700 0.055 0.000 2.593 260 S HA 0.611 5.081 4.470 -0.000 0.000 0.297 260 S C -0.073 174.579 174.600 0.087 0.000 1.112 260 S CA -0.699 57.547 58.200 0.076 0.000 1.043 260 S CB 1.445 64.689 63.200 0.073 0.000 1.054 260 S HN 0.779 nan 8.310 nan 0.000 0.516 261 Y N 2.655 122.965 120.300 0.017 0.000 2.712 261 Y HA 0.289 4.838 4.550 -0.000 0.000 0.333 261 Y C -0.562 175.351 175.900 0.022 0.000 1.225 261 Y CA 0.291 58.401 58.100 0.016 0.000 1.499 261 Y CB 0.034 38.500 38.460 0.010 0.000 1.288 261 Y HN 0.437 nan 8.280 nan 0.000 0.575 262 I N 6.163 126.212 120.570 -0.868 0.000 2.530 262 I HA 0.515 4.685 4.170 -0.000 0.000 0.297 262 I C -0.024 175.361 176.117 -1.221 0.000 1.011 262 I CA -1.267 59.530 61.300 -0.838 0.000 1.107 262 I CB 1.669 39.468 38.000 -0.335 0.000 1.285 262 I HN 0.813 nan 8.210 nan 0.000 0.436 263 A N 3.681 126.048 122.820 -0.754 0.000 2.445 263 A HA 0.514 4.834 4.320 -0.000 0.000 0.242 263 A C 1.040 178.553 177.584 -0.119 0.000 1.075 263 A CA 0.464 52.360 52.037 -0.235 0.000 0.777 263 A CB -0.143 18.860 19.000 0.006 0.000 1.013 263 A HN 1.329 nan 8.150 nan 0.000 0.493 264 G N 2.391 111.185 108.800 -0.009 0.000 2.298 264 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.287 264 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.287 264 G C 0.565 175.453 174.900 -0.021 0.000 1.075 264 G CA 0.717 45.815 45.100 -0.004 0.000 0.960 264 G HN 1.226 nan 8.290 nan 0.000 0.502 265 T N 0.197 114.755 114.554 0.006 0.000 2.674 265 T HA -0.191 4.159 4.350 -0.000 0.000 0.198 265 T C 1.205 175.899 174.700 -0.010 0.000 1.562 265 T CA 0.970 63.062 62.100 -0.012 0.000 1.491 265 T CB -0.360 68.587 68.868 0.132 0.000 0.915 265 T HN 0.690 nan 8.240 nan 0.000 0.365 266 N N 2.172 120.885 118.700 0.022 0.000 1.923 266 N HA 0.200 4.940 4.740 -0.000 0.000 0.305 266 N C 0.012 175.523 175.510 0.002 0.000 1.339 266 N CA 0.401 53.462 53.050 0.018 0.000 0.825 266 N CB -0.353 38.149 38.487 0.025 0.000 1.095 266 N HN 0.886 nan 8.380 nan 0.000 0.498 267 G N 0.929 109.729 108.800 -0.001 0.000 2.897 267 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.392 267 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.392 267 G C -0.491 174.395 174.900 -0.022 0.000 1.263 267 G CA -0.793 44.300 45.100 -0.011 0.000 1.185 267 G HN 0.457 nan 8.290 nan 0.000 0.573 268 T N 0.524 115.075 114.554 -0.006 0.000 2.927 268 T HA 0.715 5.065 4.350 -0.000 0.000 0.281 268 T C 1.102 175.801 174.700 -0.003 0.000 0.998 268 T CA 0.486 62.584 62.100 -0.002 0.000 1.019 268 T CB 1.380 70.261 68.868 0.021 0.000 1.061 268 T HN 1.385 nan 8.240 nan 0.000 0.518 269 S N 1.783 117.484 115.700 0.002 0.000 2.533 269 S HA 0.125 4.594 4.470 -0.000 0.000 0.282 269 S C 1.031 175.651 174.600 0.034 0.000 1.304 269 S CA -0.206 58.003 58.200 0.015 0.000 1.063 269 S CB -0.266 62.951 63.200 0.027 0.000 0.881 269 S HN 0.715 nan 8.310 nan 0.000 0.493 270 N N 3.187 121.910 118.700 0.038 0.000 2.268 270 N HA 0.186 4.926 4.740 -0.000 0.000 0.204 270 N C 0.836 176.383 175.510 0.062 0.000 1.124 270 N CA 0.357 53.434 53.050 0.045 0.000 0.838 270 N CB 0.225 38.735 38.487 0.038 0.000 0.994 270 N HN 0.925 nan 8.380 nan 0.000 0.489 271 G N 0.951 109.796 108.800 0.075 0.000 2.750 271 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.228 271 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.228 271 G C 0.643 175.601 174.900 0.098 0.000 1.367 271 G CA -0.499 44.664 45.100 0.104 0.000 0.871 271 G HN 0.155 nan 8.290 nan 0.000 0.560 272 L N -0.003 121.288 121.223 0.114 0.000 2.056 272 L HA -0.032 4.308 4.340 -0.000 0.000 0.207 272 L C 3.130 180.037 176.870 0.062 0.000 1.078 272 L CA 0.912 55.790 54.840 0.064 0.000 0.749 272 L CB -0.485 41.594 42.059 0.034 0.000 0.901 272 L HN 0.571 nan 8.230 nan 0.000 0.433 273 I N 0.398 121.013 120.570 0.076 0.000 2.118 273 I HA -0.210 3.960 4.170 -0.000 0.000 0.241 273 I C -0.013 176.135 176.117 0.050 0.000 1.070 273 I CA 2.050 63.386 61.300 0.061 0.000 1.327 273 I CB -2.280 35.755 38.000 0.058 0.000 1.034 273 I HN 0.171 nan 8.210 nan 0.000 0.405 274 P HA -0.182 nan 4.420 nan 0.000 0.216 274 P C 2.125 179.467 177.300 0.070 0.000 1.150 274 P CA 1.509 64.641 63.100 0.054 0.000 0.837 274 P CB -0.114 31.619 31.700 0.054 0.000 0.786 275 M N -1.030 118.619 119.600 0.082 0.000 2.067 275 M HA -0.144 4.336 4.480 -0.000 0.000 0.260 275 M C 1.988 178.393 176.300 0.175 0.000 1.069 275 M CA 1.938 57.311 55.300 0.122 0.000 1.117 275 M CB -0.660 31.993 32.600 0.089 0.000 1.334 275 M HN -0.177 nan 8.290 nan 0.000 0.407 276 I N 0.314 120.936 120.570 0.087 0.000 2.185 276 I HA -0.394 3.776 4.170 -0.000 0.000 0.246 276 I C 2.290 178.463 176.117 0.093 0.000 1.088 276 I CA 1.729 63.073 61.300 0.072 0.000 1.347 276 I CB -0.593 37.424 38.000 0.028 0.000 1.041 276 I HN 0.391 nan 8.210 nan 0.000 0.415 277 R N 0.140 120.675 120.500 0.058 0.000 2.152 277 R HA -0.096 4.244 4.340 -0.000 0.000 0.232 277 R C 2.167 178.486 176.300 0.031 0.000 1.117 277 R CA 1.071 57.186 56.100 0.025 0.000 0.981 277 R CB -0.665 29.642 30.300 0.012 0.000 0.870 277 R HN 0.244 nan 8.270 nan 0.000 0.451 278 V N 0.655 120.608 119.914 0.065 0.000 2.307 278 V HA -0.210 3.910 4.120 -0.000 0.000 0.245 278 V C 1.946 178.000 176.094 -0.066 0.000 1.045 278 V CA 1.729 64.024 62.300 -0.008 0.000 1.024 278 V CB -0.519 31.280 31.823 -0.041 0.000 0.651 278 V HN 0.152 nan 8.190 nan 0.000 0.449 279 F N 0.727 120.632 119.950 -0.074 0.000 2.146 279 F HA -0.158 4.369 4.527 -0.000 0.000 0.298 279 F C 2.413 178.100 175.800 -0.188 0.000 1.096 279 F CA 2.036 59.999 58.000 -0.061 0.000 1.275 279 F CB -0.545 38.470 39.000 0.024 0.000 1.008 279 F HN 0.209 nan 8.300 nan 0.000 0.480 280 N N 0.415 119.118 118.700 0.006 0.000 2.149 280 N HA -0.248 4.492 4.740 -0.000 0.000 0.188 280 N C 1.689 177.110 175.510 -0.149 0.000 1.019 280 N CA 1.573 54.542 53.050 -0.135 0.000 0.857 280 N CB -0.390 38.036 38.487 -0.100 0.000 0.997 280 N HN 0.162 nan 8.380 nan 0.000 0.426 281 N N -1.167 117.478 118.700 -0.091 0.000 2.188 281 N HA -0.086 4.654 4.740 -0.000 0.000 0.184 281 N C 1.034 176.511 175.510 -0.054 0.000 1.018 281 N CA 1.282 54.291 53.050 -0.070 0.000 0.858 281 N CB -0.080 38.373 38.487 -0.057 0.000 0.989 281 N HN 0.279 nan 8.380 nan 0.000 0.426 282 T N 0.540 115.038 114.554 -0.093 0.000 2.857 282 T HA 0.043 4.393 4.350 -0.000 0.000 0.266 282 T C 1.856 176.531 174.700 -0.041 0.000 1.048 282 T CA 0.994 63.075 62.100 -0.033 0.000 1.139 282 T CB -0.146 68.662 68.868 -0.101 0.000 0.874 282 T HN 0.350 nan 8.240 nan 0.000 0.455 283 A N 1.728 124.370 122.820 -0.298 0.000 1.877 283 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 283 A C 2.238 179.710 177.584 -0.186 0.000 1.186 283 A CA 2.017 53.767 52.037 -0.478 0.000 0.620 283 A CB -0.593 17.835 19.000 -0.952 0.000 0.822 283 A HN 0.451 nan 8.150 nan 0.000 0.443 284 R N -2.074 118.342 120.500 -0.139 0.000 2.081 284 R HA -0.204 4.136 4.340 -0.000 0.000 0.235 284 R C 2.074 178.372 176.300 -0.004 0.000 1.131 284 R CA 2.005 58.066 56.100 -0.065 0.000 0.960 284 R CB -0.557 29.710 30.300 -0.054 0.000 0.856 284 R HN 0.605 nan 8.270 nan 0.000 0.436 285 Y N 0.357 120.610 120.300 -0.078 0.000 2.145 285 Y HA -0.169 4.381 4.550 -0.000 0.000 0.286 285 Y C 1.957 177.837 175.900 -0.033 0.000 1.145 285 Y CA 1.670 59.739 58.100 -0.050 0.000 1.148 285 Y CB -0.431 38.000 38.460 -0.047 0.000 0.981 285 Y HN -0.122 nan 8.280 nan 0.000 0.507 286 V N 0.523 120.353 119.914 -0.140 0.000 2.407 286 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 286 V C 0.706 176.690 176.094 -0.185 0.000 1.055 286 V CA 1.834 64.017 62.300 -0.194 0.000 1.049 286 V CB -0.712 31.123 31.823 0.021 0.000 0.662 286 V HN 0.294 nan 8.190 nan 0.000 0.455 287 D N 1.579 121.912 120.400 -0.113 0.000 2.542 287 D HA -0.049 4.591 4.640 -0.000 0.000 0.242 287 D C 1.671 177.890 176.300 -0.135 0.000 1.207 287 D CA -0.009 53.936 54.000 -0.092 0.000 1.172 287 D CB 0.269 41.038 40.800 -0.050 0.000 1.126 287 D HN 0.517 nan 8.370 nan 0.000 0.500 288 Q N 2.307 122.006 119.800 -0.168 0.000 2.515 288 Q HA 0.026 4.366 4.340 -0.000 0.000 0.214 288 Q C 0.916 176.845 176.000 -0.119 0.000 0.971 288 Q CA 0.779 56.472 55.803 -0.183 0.000 0.952 288 Q CB 0.124 28.748 28.738 -0.191 0.000 0.999 288 Q HN 0.486 nan 8.270 nan 0.000 0.524 289 G N 0.212 108.956 108.800 -0.095 0.000 2.680 289 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.222 289 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.222 289 G C 0.304 175.157 174.900 -0.079 0.000 1.460 289 G CA 0.242 45.298 45.100 -0.072 0.000 1.275 289 G HN 0.922 nan 8.290 nan 0.000 0.506 290 G N 1.091 109.836 108.800 -0.092 0.000 2.909 290 G HA2 0.072 4.032 3.960 -0.000 0.000 0.290 290 G HA3 0.072 4.032 3.960 -0.000 0.000 0.290 290 G C 0.909 175.722 174.900 -0.146 0.000 0.323 290 G CA 1.228 46.257 45.100 -0.119 0.000 1.187 290 G HN 1.446 nan 8.290 nan 0.000 0.193 291 N N 2.330 120.936 118.700 -0.156 0.000 2.139 291 N HA -0.255 4.485 4.740 -0.000 0.000 0.199 291 N C 2.009 177.398 175.510 -0.202 0.000 1.003 291 N CA 2.051 55.007 53.050 -0.156 0.000 0.892 291 N CB -0.291 38.093 38.487 -0.171 0.000 1.039 291 N HN 0.684 nan 8.380 nan 0.000 0.461 292 K N 0.466 120.631 120.400 -0.391 0.000 2.052 292 K HA -0.123 4.197 4.320 -0.000 0.000 0.215 292 K C 0.508 177.025 176.600 -0.138 0.000 1.053 292 K CA 1.232 57.192 56.287 -0.546 0.000 0.934 292 K CB -0.281 31.861 32.500 -0.597 0.000 0.717 292 K HN 0.231 nan 8.250 nan 0.000 0.450 293 R N 0.395 120.862 120.500 -0.055 0.000 2.734 293 R HA 0.007 4.347 4.340 -0.000 0.000 0.266 293 R C -1.614 174.760 176.300 0.123 0.000 1.044 293 R CA -0.705 55.430 56.100 0.058 0.000 1.128 293 R CB -0.422 29.911 30.300 0.056 0.000 1.010 293 R HN 0.065 nan 8.270 nan 0.000 0.461 294 P HA 0.021 nan 4.420 nan 0.000 0.219 294 P C 0.237 177.662 177.300 0.208 0.000 1.150 294 P CA 1.297 64.522 63.100 0.208 0.000 0.814 294 P CB 0.246 32.091 31.700 0.242 0.000 0.787 295 G N -0.931 107.993 108.800 0.207 0.000 2.176 295 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.252 295 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.252 295 G C 0.177 175.197 174.900 0.200 0.000 1.024 295 G CA -0.007 45.197 45.100 0.174 0.000 0.755 295 G HN 0.755 nan 8.290 nan 0.000 0.507 296 A N -0.679 122.370 122.820 0.381 0.000 2.488 296 A HA 0.837 5.157 4.320 -0.000 0.000 0.298 296 A C -0.986 177.053 177.584 0.759 0.000 1.044 296 A CA -0.716 51.592 52.037 0.452 0.000 0.693 296 A CB 1.409 20.753 19.000 0.573 0.000 1.272 296 A HN 0.731 nan 8.150 nan 0.000 0.402 297 F N 0.801 120.904 119.950 0.255 0.000 2.495 297 F HA 0.762 5.289 4.527 -0.000 0.000 0.327 297 F C 0.622 176.597 175.800 0.292 0.000 1.103 297 F CA -1.566 56.573 58.000 0.231 0.000 0.949 297 F CB 1.938 41.035 39.000 0.162 0.000 1.142 297 F HN 0.759 nan 8.300 nan 0.000 0.457 298 A N 4.137 127.244 122.820 0.479 0.000 2.306 298 A HA 0.793 5.113 4.320 -0.000 0.000 0.314 298 A C -0.844 176.904 177.584 0.272 0.000 1.164 298 A CA -0.554 51.704 52.037 0.369 0.000 0.822 298 A CB 0.537 19.794 19.000 0.428 0.000 1.130 298 A HN 0.745 nan 8.150 nan 0.000 0.496 299 L N 2.019 123.328 121.223 0.145 0.000 2.322 299 L HA 0.439 4.779 4.340 -0.000 0.000 0.281 299 L C -1.276 175.656 176.870 0.102 0.000 1.014 299 L CA -0.538 54.390 54.840 0.146 0.000 0.815 299 L CB 1.304 43.474 42.059 0.185 0.000 1.247 299 L HN 0.699 nan 8.230 nan 0.000 0.421 300 Y N 3.671 123.931 120.300 -0.068 0.000 2.360 300 Y HA 0.619 5.169 4.550 -0.000 0.000 0.337 300 Y C -0.148 175.533 175.900 -0.366 0.000 1.039 300 Y CA -0.439 57.601 58.100 -0.099 0.000 1.109 300 Y CB 1.827 40.206 38.460 -0.135 0.000 1.201 300 Y HN 0.348 nan 8.280 nan 0.000 0.458 301 L N 3.193 124.306 121.223 -0.184 0.000 2.482 301 L HA 0.412 4.751 4.340 -0.000 0.000 0.263 301 L C -1.016 175.781 176.870 -0.122 0.000 0.957 301 L CA -0.731 53.879 54.840 -0.384 0.000 0.836 301 L CB 2.303 43.612 42.059 -1.251 0.000 1.324 301 L HN 0.670 nan 8.230 nan 0.000 0.406 302 E N 4.976 125.079 120.200 -0.161 0.000 2.313 302 E HA 0.188 4.538 4.350 -0.000 0.000 0.276 302 E C -1.794 174.446 176.600 -0.600 0.000 1.031 302 E CA -1.604 54.543 56.400 -0.422 0.000 0.857 302 E CB 1.243 30.546 29.700 -0.660 0.000 1.040 302 E HN 0.349 nan 8.360 nan 0.000 0.408 303 P HA -0.090 nan 4.420 nan 0.000 0.252 303 P C 0.381 177.834 177.300 0.255 0.000 1.265 303 P CA 0.549 63.497 63.100 -0.255 0.000 0.775 303 P CB -0.233 31.053 31.700 -0.689 0.000 1.128 304 W N -1.814 119.801 121.300 0.525 0.000 3.197 304 W HA 0.164 4.824 4.660 -0.000 0.000 0.274 304 W C 0.403 177.107 176.519 0.308 0.000 1.297 304 W CA -0.500 57.117 57.345 0.454 0.000 1.662 304 W CB -1.438 28.333 29.460 0.519 0.000 1.106 304 W HN -0.010 nan 8.180 nan 0.000 0.663 305 H N 1.892 120.952 119.070 -0.017 0.000 2.886 305 H HA 0.210 4.766 4.556 -0.000 0.000 0.329 305 H C 1.243 176.660 175.328 0.149 0.000 1.044 305 H CA 1.068 57.155 56.048 0.064 0.000 1.456 305 H CB 1.928 31.526 29.762 -0.273 0.000 1.464 305 H HN 0.088 nan 8.280 nan 0.000 0.573 306 A N 4.219 126.961 122.820 -0.130 0.000 2.125 306 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 306 A C 1.405 179.089 177.584 0.166 0.000 1.156 306 A CA 1.226 53.281 52.037 0.029 0.000 0.671 306 A CB 0.069 19.049 19.000 -0.033 0.000 0.794 306 A HN 0.710 nan 8.150 nan 0.000 0.459 307 D N -0.744 119.843 120.400 0.312 0.000 2.336 307 D HA 0.084 4.724 4.640 -0.000 0.000 0.228 307 D C 1.239 177.715 176.300 0.294 0.000 1.120 307 D CA -0.121 54.072 54.000 0.322 0.000 0.839 307 D CB 0.164 41.162 40.800 0.330 0.000 0.932 307 D HN 0.380 nan 8.370 nan 0.000 0.509 308 I N -0.134 120.582 120.570 0.244 0.000 2.208 308 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 308 I C 1.640 177.810 176.117 0.089 0.000 1.097 308 I CA 1.340 62.703 61.300 0.105 0.000 1.363 308 I CB -0.230 37.742 38.000 -0.047 0.000 1.051 308 I HN -0.105 nan 8.210 nan 0.000 0.413 309 F N 0.608 120.647 119.950 0.148 0.000 2.234 309 F HA -0.201 4.325 4.527 -0.000 0.000 0.299 309 F C 2.306 178.153 175.800 0.080 0.000 1.087 309 F CA 1.522 59.587 58.000 0.109 0.000 1.340 309 F CB -0.422 38.640 39.000 0.103 0.000 1.031 309 F HN 0.157 nan 8.300 nan 0.000 0.500 310 D N -0.576 119.989 120.400 0.274 0.000 2.162 310 D HA -0.153 4.487 4.640 -0.000 0.000 0.203 310 D C 2.040 178.403 176.300 0.106 0.000 0.967 310 D CA 0.800 54.896 54.000 0.159 0.000 0.840 310 D CB -0.527 40.361 40.800 0.146 0.000 0.972 310 D HN 0.229 nan 8.370 nan 0.000 0.482 311 F N 2.827 122.774 119.950 -0.006 0.000 2.095 311 F HA -0.167 4.360 4.527 -0.000 0.000 0.298 311 F C 2.244 177.980 175.800 -0.107 0.000 1.104 311 F CA 1.208 59.161 58.000 -0.078 0.000 1.232 311 F CB -0.457 38.472 39.000 -0.118 0.000 0.987 311 F HN -0.102 nan 8.300 nan 0.000 0.475 312 I N -2.155 118.333 120.570 -0.137 0.000 2.700 312 I HA -0.154 4.016 4.170 -0.000 0.000 0.261 312 I C 0.859 176.825 176.117 -0.251 0.000 1.219 312 I CA 1.520 62.663 61.300 -0.261 0.000 1.463 312 I CB -0.688 37.238 38.000 -0.122 0.000 1.092 312 I HN 0.049 nan 8.210 nan 0.000 0.452 313 D N 0.879 121.174 120.400 -0.174 0.000 2.349 313 D HA 0.096 4.735 4.640 -0.000 0.000 0.214 313 D C 1.990 178.185 176.300 -0.174 0.000 1.063 313 D CA 0.089 54.011 54.000 -0.130 0.000 0.847 313 D CB 0.346 41.121 40.800 -0.041 0.000 0.933 313 D HN 0.241 nan 8.370 nan 0.000 0.513 314 I N 1.520 121.936 120.570 -0.256 0.000 2.247 314 I HA -0.343 3.827 4.170 -0.000 0.000 0.249 314 I C 2.032 178.007 176.117 -0.236 0.000 1.027 314 I CA 1.667 62.804 61.300 -0.271 0.000 1.316 314 I CB -0.184 37.561 38.000 -0.425 0.000 1.007 314 I HN -0.014 nan 8.210 nan 0.000 0.430 315 R N -0.521 119.833 120.500 -0.243 0.000 2.334 315 R HA 0.101 4.441 4.340 -0.000 0.000 0.216 315 R C 0.516 176.720 176.300 -0.160 0.000 0.905 315 R CA -0.161 55.812 56.100 -0.212 0.000 1.064 315 R CB 0.126 30.297 30.300 -0.215 0.000 1.046 315 R HN 0.268 nan 8.270 nan 0.000 0.508 316 K N 1.505 121.822 120.400 -0.139 0.000 2.412 316 K HA 0.006 4.326 4.320 -0.000 0.000 0.284 316 K C 0.607 177.118 176.600 -0.149 0.000 1.046 316 K CA -0.172 56.042 56.287 -0.120 0.000 0.999 316 K CB 0.535 32.987 32.500 -0.079 0.000 0.941 316 K HN -0.049 nan 8.250 nan 0.000 0.474 317 N N 1.973 120.535 118.700 -0.231 0.000 2.289 317 N HA -0.085 4.655 4.740 -0.000 0.000 0.184 317 N C 0.145 175.401 175.510 -0.425 0.000 1.016 317 N CA 1.162 53.990 53.050 -0.370 0.000 0.872 317 N CB 0.078 38.256 38.487 -0.515 0.000 0.973 317 N HN 0.537 nan 8.380 nan 0.000 0.433 318 H N -1.903 117.149 119.070 -0.029 0.000 3.315 318 H HA 0.577 5.133 4.556 -0.000 0.000 0.280 318 H C 1.097 176.412 175.328 -0.021 0.000 1.664 318 H CA -0.580 55.454 56.048 -0.023 0.000 1.531 318 H CB 0.373 30.124 29.762 -0.018 0.000 1.673 318 H HN 0.112 nan 8.280 nan 0.000 0.857 319 G N 0.344 109.227 108.800 0.138 0.000 2.601 319 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.252 319 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.252 319 G C -0.774 174.150 174.900 0.040 0.000 1.294 319 G CA -0.120 45.016 45.100 0.060 0.000 0.912 319 G HN 0.712 nan 8.290 nan 0.000 0.574 320 K N 0.940 121.353 120.400 0.023 0.000 2.419 320 K HA 0.164 4.484 4.320 -0.000 0.000 0.282 320 K C 0.097 176.701 176.600 0.007 0.000 1.056 320 K CA 0.595 56.891 56.287 0.014 0.000 1.035 320 K CB 1.125 33.633 32.500 0.012 0.000 0.921 320 K HN 0.650 nan 8.250 nan 0.000 0.472 321 E N 1.931 122.134 120.200 0.006 0.000 2.370 321 E HA 0.018 4.368 4.350 -0.000 0.000 0.194 321 E C -0.078 176.516 176.600 -0.011 0.000 1.057 321 E CA 0.051 56.449 56.400 -0.004 0.000 1.011 321 E CB 0.257 29.960 29.700 0.005 0.000 1.132 321 E HN 0.678 nan 8.360 nan 0.000 0.450 322 E N 0.239 120.434 120.200 -0.008 0.000 3.067 322 E HA 0.101 4.451 4.350 -0.000 0.000 0.188 322 E C 0.155 176.752 176.600 -0.004 0.000 0.964 322 E CA 0.065 56.459 56.400 -0.010 0.000 1.286 322 E CB 0.502 30.197 29.700 -0.007 0.000 1.051 322 E HN 0.202 nan 8.360 nan 0.000 0.465 323 I N 0.844 121.412 120.570 -0.003 0.000 3.749 323 I HA 0.099 4.269 4.170 -0.000 0.000 0.314 323 I C 0.613 176.714 176.117 -0.027 0.000 1.278 323 I CA 0.431 61.730 61.300 -0.001 0.000 1.158 323 I CB -0.010 37.998 38.000 0.013 0.000 1.018 323 I HN -0.081 nan 8.210 nan 0.000 0.435 324 R N 0.879 121.355 120.500 -0.040 0.000 2.902 324 R HA 0.872 5.212 4.340 -0.000 0.000 0.258 324 R C -1.051 175.198 176.300 -0.086 0.000 1.071 324 R CA -0.703 55.354 56.100 -0.071 0.000 1.024 324 R CB 1.669 31.931 30.300 -0.065 0.000 1.184 324 R HN -0.019 nan 8.270 nan 0.000 0.492 325 A N 1.799 124.544 122.820 -0.126 0.000 2.333 325 A HA 0.237 4.557 4.320 -0.000 0.000 0.298 325 A C -0.462 176.996 177.584 -0.210 0.000 1.239 325 A CA -0.567 51.380 52.037 -0.148 0.000 0.896 325 A CB 0.580 19.495 19.000 -0.140 0.000 1.421 325 A HN 0.624 nan 8.150 nan 0.000 0.433 326 R N 0.481 120.865 120.500 -0.194 0.000 2.313 326 R HA 0.121 4.461 4.340 -0.000 0.000 0.199 326 R C 0.512 176.636 176.300 -0.293 0.000 0.958 326 R CA 1.000 56.962 56.100 -0.230 0.000 1.047 326 R CB 0.249 30.452 30.300 -0.162 0.000 0.955 326 R HN 0.639 nan 8.270 nan 0.000 0.481 327 D N -0.649 119.581 120.400 -0.283 0.000 2.388 327 D HA 0.094 4.734 4.640 -0.000 0.000 0.221 327 D C -0.778 175.292 176.300 -0.383 0.000 1.133 327 D CA 0.141 53.961 54.000 -0.299 0.000 0.831 327 D CB 0.452 41.117 40.800 -0.224 0.000 0.962 327 D HN -0.015 nan 8.370 nan 0.000 0.502 328 L N -0.091 120.839 121.223 -0.488 0.000 2.350 328 L HA 0.474 4.814 4.340 -0.000 0.000 0.260 328 L C -1.059 175.421 176.870 -0.650 0.000 1.015 328 L CA -0.759 53.846 54.840 -0.392 0.000 0.821 328 L CB 1.888 43.807 42.059 -0.234 0.000 1.370 328 L HN -0.239 nan 8.230 nan 0.000 0.416 329 F N 3.341 123.211 119.950 -0.132 0.000 2.460 329 F HA 0.518 5.045 4.527 -0.000 0.000 0.341 329 F C -2.047 173.460 175.800 -0.487 0.000 1.130 329 F CA -1.917 55.879 58.000 -0.340 0.000 0.962 329 F CB 1.537 40.359 39.000 -0.295 0.000 1.171 329 F HN 0.216 nan 8.300 nan 0.000 0.436 330 P HA 0.368 nan 4.420 nan 0.000 0.275 330 P C -1.177 175.792 177.300 -0.550 0.000 1.227 330 P CA -0.152 62.533 63.100 -0.690 0.000 0.781 330 P CB 1.637 32.694 31.700 -1.072 0.000 0.906 331 A N 4.061 126.721 122.820 -0.268 0.000 2.398 331 A HA 0.585 4.905 4.320 -0.000 0.000 0.301 331 A C -0.711 176.792 177.584 -0.134 0.000 1.041 331 A CA -0.813 50.978 52.037 -0.409 0.000 0.711 331 A CB 1.023 19.386 19.000 -1.062 0.000 1.240 331 A HN 0.460 nan 8.150 nan 0.000 0.420 332 L N 2.476 123.666 121.223 -0.054 0.000 2.276 332 L HA 0.286 4.625 4.340 -0.000 0.000 0.286 332 L C -0.346 176.610 176.870 0.143 0.000 1.061 332 L CA -0.247 54.594 54.840 0.002 0.000 0.807 332 L CB 1.113 43.099 42.059 -0.122 0.000 1.177 332 L HN 0.821 nan 8.230 nan 0.000 0.429 333 W N 7.014 128.288 121.300 -0.042 0.000 2.253 333 W HA 0.411 5.071 4.660 -0.000 0.000 0.348 333 W C -0.998 175.441 176.519 -0.133 0.000 0.920 333 W CA -0.676 56.668 57.345 -0.001 0.000 1.518 333 W CB 0.760 30.277 29.460 0.095 0.000 1.446 333 W HN 0.405 nan 8.180 nan 0.000 0.361 334 I N 8.594 128.955 120.570 -0.349 0.000 2.315 334 I HA 0.180 4.350 4.170 -0.000 0.000 0.291 334 I C -1.600 174.367 176.117 -0.251 0.000 1.006 334 I CA -2.032 59.094 61.300 -0.290 0.000 1.265 334 I CB 1.327 39.173 38.000 -0.257 0.000 1.387 334 I HN 0.083 nan 8.210 nan 0.000 0.475 335 P HA 0.117 nan 4.420 nan 0.000 0.274 335 P C -0.289 177.015 177.300 0.007 0.000 1.231 335 P CA -0.200 62.805 63.100 -0.159 0.000 0.790 335 P CB 1.257 32.804 31.700 -0.255 0.000 0.951 336 D N 0.691 121.144 120.400 0.087 0.000 2.123 336 D HA -0.131 4.509 4.640 -0.000 0.000 0.196 336 D C 1.926 178.290 176.300 0.105 0.000 0.992 336 D CA 1.025 55.139 54.000 0.190 0.000 0.833 336 D CB -0.537 40.442 40.800 0.299 0.000 0.954 336 D HN 0.289 nan 8.370 nan 0.000 0.455 337 L N -0.197 121.150 121.223 0.206 0.000 2.021 337 L HA -0.258 4.082 4.340 -0.000 0.000 0.215 337 L C 2.283 179.199 176.870 0.076 0.000 1.074 337 L CA 1.341 56.315 54.840 0.222 0.000 0.760 337 L CB -0.364 41.921 42.059 0.376 0.000 0.889 337 L HN 0.054 nan 8.230 nan 0.000 0.433 338 F N 0.386 120.205 119.950 -0.218 0.000 2.043 338 F HA -0.356 4.171 4.527 -0.000 0.000 0.297 338 F C 2.599 178.037 175.800 -0.603 0.000 1.121 338 F CA 1.949 59.515 58.000 -0.724 0.000 1.199 338 F CB -0.300 38.171 39.000 -0.881 0.000 0.968 338 F HN 0.036 nan 8.300 nan 0.000 0.478 339 M N 0.160 119.309 119.600 -0.752 0.000 2.195 339 M HA -0.242 4.238 4.480 -0.000 0.000 0.260 339 M C 2.156 178.010 176.300 -0.744 0.000 1.066 339 M CA 1.524 56.102 55.300 -1.203 0.000 1.089 339 M CB -1.377 29.827 32.600 -2.327 0.000 1.377 339 M HN 0.187 nan 8.290 nan 0.000 0.411 340 K N 0.103 120.251 120.400 -0.419 0.000 2.001 340 K HA -0.099 4.221 4.320 -0.000 0.000 0.208 340 K C 2.119 178.638 176.600 -0.136 0.000 1.048 340 K CA 0.929 57.158 56.287 -0.096 0.000 0.932 340 K CB -0.033 32.499 32.500 0.053 0.000 0.715 340 K HN 0.218 nan 8.250 nan 0.000 0.437 341 R N 0.633 121.024 120.500 -0.181 0.000 2.083 341 R HA -0.124 4.216 4.340 -0.000 0.000 0.237 341 R C 2.344 178.470 176.300 -0.291 0.000 1.137 341 R CA 1.503 57.513 56.100 -0.149 0.000 0.951 341 R CB -1.283 29.002 30.300 -0.025 0.000 0.851 341 R HN 0.309 nan 8.270 nan 0.000 0.434 342 V N -0.065 119.512 119.914 -0.563 0.000 2.809 342 V HA -0.119 4.001 4.120 -0.000 0.000 0.256 342 V C 1.992 177.814 176.094 -0.452 0.000 1.080 342 V CA 1.961 63.912 62.300 -0.582 0.000 1.102 342 V CB -0.240 31.020 31.823 -0.938 0.000 0.705 342 V HN 0.286 nan 8.190 nan 0.000 0.475 343 E N 0.488 120.486 120.200 -0.337 0.000 2.076 343 E HA -0.089 4.261 4.350 -0.000 0.000 0.190 343 E C 1.275 177.741 176.600 -0.224 0.000 0.979 343 E CA 0.772 56.965 56.400 -0.346 0.000 0.807 343 E CB 0.011 29.628 29.700 -0.137 0.000 0.761 343 E HN 0.894 nan 8.360 nan 0.000 0.454 344 E N -0.207 119.912 120.200 -0.136 0.000 2.816 344 E HA 0.013 4.363 4.350 -0.000 0.000 0.260 344 E C 0.718 177.259 176.600 -0.099 0.000 1.414 344 E CA -0.020 56.328 56.400 -0.086 0.000 1.074 344 E CB 0.216 29.893 29.700 -0.038 0.000 1.123 344 E HN 0.102 nan 8.360 nan 0.000 0.664 345 N N -0.699 117.971 118.700 -0.051 0.000 2.305 345 N HA 0.020 4.759 4.740 -0.000 0.000 0.179 345 N C 0.205 175.702 175.510 -0.021 0.000 1.019 345 N CA 0.597 53.622 53.050 -0.041 0.000 0.869 345 N CB 0.149 38.633 38.487 -0.004 0.000 1.000 345 N HN 0.534 nan 8.380 nan 0.000 0.431 346 G N 0.533 109.339 108.800 0.011 0.000 3.087 346 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.680 346 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.680 346 G C -0.083 174.880 174.900 0.105 0.000 1.626 346 G CA 0.271 45.402 45.100 0.051 0.000 1.157 346 G HN 0.428 nan 8.290 nan 0.000 0.599 347 T N -0.897 113.754 114.554 0.162 0.000 2.897 347 T HA 0.735 5.085 4.350 -0.000 0.000 0.278 347 T C -0.039 174.906 174.700 0.409 0.000 0.981 347 T CA -0.253 61.985 62.100 0.230 0.000 0.973 347 T CB 2.299 71.270 68.868 0.172 0.000 1.092 347 T HN 1.358 nan 8.240 nan 0.000 0.543 348 W N 0.145 121.555 121.300 0.184 0.000 3.127 348 W HA 0.446 5.105 4.660 -0.000 0.000 0.330 348 W C -1.676 174.983 176.519 0.233 0.000 1.187 348 W CA -0.846 56.672 57.345 0.289 0.000 1.198 348 W CB 2.431 32.098 29.460 0.345 0.000 1.408 348 W HN 0.739 nan 8.180 nan 0.000 0.529 349 T N 5.537 119.878 114.554 -0.355 0.000 2.823 349 T HA 0.516 4.866 4.350 -0.000 0.000 0.279 349 T C -0.126 174.109 174.700 -0.776 0.000 0.998 349 T CA -0.517 61.242 62.100 -0.568 0.000 0.994 349 T CB 1.454 69.874 68.868 -0.747 0.000 0.960 349 T HN 0.205 nan 8.240 nan 0.000 0.448 350 L N 3.235 124.109 121.223 -0.582 0.000 2.325 350 L HA 0.687 5.027 4.340 -0.000 0.000 0.279 350 L C -0.923 175.575 176.870 -0.621 0.000 1.054 350 L CA -0.757 53.895 54.840 -0.314 0.000 0.804 350 L CB 0.838 42.883 42.059 -0.023 0.000 1.200 350 L HN 0.578 nan 8.230 nan 0.000 0.436 351 F N -0.404 119.605 119.950 0.098 0.000 2.613 351 F HA 0.358 4.885 4.527 -0.000 0.000 0.314 351 F C 0.287 176.083 175.800 -0.008 0.000 1.075 351 F CA -0.757 57.235 58.000 -0.014 0.000 0.945 351 F CB 2.135 41.050 39.000 -0.142 0.000 1.310 351 F HN 0.292 nan 8.300 nan 0.000 0.467 352 S N 2.977 118.758 115.700 0.135 0.000 2.513 352 S HA 0.305 4.775 4.470 -0.000 0.000 0.276 352 S C -1.515 173.151 174.600 0.111 0.000 1.254 352 S CA -1.692 56.533 58.200 0.041 0.000 1.053 352 S CB 1.022 64.239 63.200 0.028 0.000 0.958 352 S HN 0.403 nan 8.310 nan 0.000 0.491 353 P HA -0.136 nan 4.420 nan 0.000 0.218 353 P C 1.463 178.798 177.300 0.058 0.000 1.146 353 P CA 1.509 64.728 63.100 0.198 0.000 0.813 353 P CB -0.545 31.360 31.700 0.342 0.000 0.778 354 T N -3.341 111.250 114.554 0.062 0.000 2.867 354 T HA -0.036 4.314 4.350 -0.000 0.000 0.268 354 T C 1.987 176.664 174.700 -0.038 0.000 1.057 354 T CA 1.394 63.515 62.100 0.035 0.000 1.136 354 T CB -1.071 67.844 68.868 0.077 0.000 0.874 354 T HN 0.026 nan 8.240 nan 0.000 0.466 355 S N 1.625 117.282 115.700 -0.071 0.000 2.414 355 S HA 0.470 4.940 4.470 -0.000 0.000 0.227 355 S C 1.225 175.577 174.600 -0.414 0.000 1.022 355 S CA 0.404 58.508 58.200 -0.160 0.000 0.958 355 S CB -0.081 63.068 63.200 -0.084 0.000 0.797 355 S HN 0.818 nan 8.310 nan 0.000 0.493 356 A N 2.728 125.231 122.820 -0.528 0.000 2.842 356 A HA 0.580 4.900 4.320 -0.000 0.000 0.339 356 A C -2.906 174.343 177.584 -0.557 0.000 1.177 356 A CA -1.561 49.824 52.037 -1.087 0.000 0.797 356 A CB 0.566 18.544 19.000 -1.703 0.000 1.094 356 A HN 0.120 nan 8.150 nan 0.000 0.474 357 P HA 0.457 nan 4.420 nan 0.000 0.278 357 P C 0.918 178.243 177.300 0.041 0.000 1.258 357 P CA 1.111 64.179 63.100 -0.053 0.000 0.811 357 P CB 1.223 32.919 31.700 -0.007 0.000 1.063 358 G N -0.070 108.778 108.800 0.080 0.000 2.179 358 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.260 358 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.260 358 G C 0.631 175.609 174.900 0.129 0.000 0.977 358 G CA 0.195 45.359 45.100 0.108 0.000 0.641 358 G HN 0.474 nan 8.290 nan 0.000 0.533 359 L N 1.912 123.187 121.223 0.087 0.000 2.093 359 L HA 0.128 4.468 4.340 -0.000 0.000 0.208 359 L C 2.902 180.005 176.870 0.389 0.000 1.085 359 L CA 2.969 57.885 54.840 0.126 0.000 0.755 359 L CB -0.607 41.177 42.059 -0.459 0.000 0.904 359 L HN 0.739 nan 8.230 nan 0.000 0.435 360 S N -2.788 113.155 115.700 0.404 0.000 2.603 360 S HA -0.039 4.431 4.470 -0.000 0.000 0.220 360 S C 1.299 176.024 174.600 0.209 0.000 0.967 360 S CA 0.490 58.874 58.200 0.306 0.000 0.920 360 S CB -0.216 63.115 63.200 0.219 0.000 0.773 360 S HN 0.394 nan 8.310 nan 0.000 0.529 361 D N 1.035 121.566 120.400 0.218 0.000 2.368 361 D HA 0.229 4.869 4.640 -0.000 0.000 0.218 361 D C 0.257 176.680 176.300 0.206 0.000 1.112 361 D CA -0.101 54.013 54.000 0.189 0.000 0.834 361 D CB 0.545 41.441 40.800 0.160 0.000 0.953 361 D HN 0.648 nan 8.370 nan 0.000 0.505 362 C N -1.211 118.238 119.300 0.248 0.000 3.291 362 C HA 0.904 5.364 4.460 -0.000 0.000 0.316 362 C C -0.740 174.452 174.990 0.336 0.000 1.391 362 C CA -1.205 57.966 59.018 0.255 0.000 1.394 362 C CB 0.548 28.379 27.740 0.150 0.000 1.744 362 C HN 0.236 nan 8.230 nan 0.000 0.461 363 Y N -0.582 119.791 120.300 0.121 0.000 2.896 363 Y HA 0.856 5.406 4.550 -0.000 0.000 0.317 363 Y C 0.748 176.715 175.900 0.113 0.000 1.444 363 Y CA -0.150 57.987 58.100 0.063 0.000 1.084 363 Y CB 0.171 38.623 38.460 -0.013 0.000 1.382 363 Y HN 2.092 nan 8.280 nan 0.000 0.471 364 G N 1.254 110.117 108.800 0.105 0.000 2.602 364 G HA2 -0.435 3.525 3.960 -0.000 0.000 0.317 364 G HA3 -0.435 3.525 3.960 -0.000 0.000 0.317 364 G C 0.107 175.031 174.900 0.040 0.000 1.327 364 G CA 1.137 46.253 45.100 0.025 0.000 0.971 364 G HN 1.265 nan 8.290 nan 0.000 0.540 365 D N -0.077 120.299 120.400 -0.039 0.000 2.349 365 D HA 0.113 4.753 4.640 -0.000 0.000 0.224 365 D C 1.721 178.000 176.300 -0.036 0.000 1.029 365 D CA 1.255 55.253 54.000 -0.004 0.000 0.879 365 D CB 0.087 40.882 40.800 -0.009 0.000 0.906 365 D HN 0.659 nan 8.370 nan 0.000 0.528 366 E N -0.183 119.969 120.200 -0.081 0.000 2.047 366 E HA -0.201 4.149 4.350 -0.000 0.000 0.191 366 E C 1.461 178.053 176.600 -0.013 0.000 0.987 366 E CA 0.581 56.936 56.400 -0.074 0.000 0.799 366 E CB -0.182 29.452 29.700 -0.110 0.000 0.752 366 E HN 0.359 nan 8.360 nan 0.000 0.449 367 F N 2.307 122.210 119.950 -0.079 0.000 2.069 367 F HA -0.232 4.295 4.527 -0.000 0.000 0.298 367 F C 2.286 178.088 175.800 0.003 0.000 1.113 367 F CA 1.882 59.872 58.000 -0.016 0.000 1.214 367 F CB -0.286 38.744 39.000 0.051 0.000 0.978 367 F HN 0.016 nan 8.300 nan 0.000 0.474 368 E N 0.513 120.723 120.200 0.015 0.000 2.086 368 E HA -0.314 4.036 4.350 -0.000 0.000 0.200 368 E C 2.295 178.811 176.600 -0.139 0.000 1.012 368 E CA 1.520 57.883 56.400 -0.062 0.000 0.812 368 E CB -0.578 29.154 29.700 0.052 0.000 0.743 368 E HN 0.521 nan 8.360 nan 0.000 0.453 369 A N 1.046 123.790 122.820 -0.128 0.000 1.845 369 A HA -0.193 4.127 4.320 -0.000 0.000 0.215 369 A C 2.243 179.671 177.584 -0.260 0.000 1.195 369 A CA 1.511 53.456 52.037 -0.154 0.000 0.616 369 A CB -0.880 18.042 19.000 -0.130 0.000 0.832 369 A HN 0.302 nan 8.150 nan 0.000 0.443 370 L N -1.689 119.335 121.223 -0.332 0.000 2.012 370 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 370 L C 2.350 178.806 176.870 -0.690 0.000 1.073 370 L CA 2.516 57.031 54.840 -0.542 0.000 0.748 370 L CB -0.841 40.944 42.059 -0.456 0.000 0.891 370 L HN 0.539 nan 8.230 nan 0.000 0.431 371 Y N -0.341 119.522 120.300 -0.728 0.000 2.145 371 Y HA -0.275 4.274 4.550 -0.000 0.000 0.286 371 Y C 2.538 178.233 175.900 -0.342 0.000 1.145 371 Y CA 2.384 60.098 58.100 -0.644 0.000 1.148 371 Y CB -0.565 37.321 38.460 -0.956 0.000 0.981 371 Y HN 0.178 nan 8.280 nan 0.000 0.507 372 T N 0.747 115.245 114.554 -0.093 0.000 2.665 372 T HA -0.281 4.069 4.350 -0.000 0.000 0.268 372 T C 1.970 176.593 174.700 -0.128 0.000 1.035 372 T CA 1.949 64.018 62.100 -0.052 0.000 1.151 372 T CB -0.341 68.506 68.868 -0.036 0.000 0.862 372 T HN 0.376 nan 8.240 nan 0.000 0.438 373 R N -0.479 119.886 120.500 -0.225 0.000 2.066 373 R HA -0.071 4.268 4.340 -0.000 0.000 0.232 373 R C 2.234 178.444 176.300 -0.150 0.000 1.131 373 R CA 1.513 57.486 56.100 -0.212 0.000 0.955 373 R CB -0.545 29.579 30.300 -0.293 0.000 0.851 373 R HN 0.540 nan 8.270 nan 0.000 0.432 374 Y N 0.875 121.017 120.300 -0.263 0.000 2.193 374 Y HA -0.262 4.288 4.550 -0.000 0.000 0.285 374 Y C 2.455 178.267 175.900 -0.147 0.000 1.166 374 Y CA 1.264 59.188 58.100 -0.292 0.000 1.181 374 Y CB -0.037 38.046 38.460 -0.628 0.000 0.976 374 Y HN 0.331 nan 8.280 nan 0.000 0.520 375 E N 0.383 120.579 120.200 -0.006 0.000 2.023 375 E HA -0.237 4.113 4.350 -0.000 0.000 0.196 375 E C 2.080 178.681 176.600 0.001 0.000 1.003 375 E CA 1.311 57.705 56.400 -0.010 0.000 0.809 375 E CB -0.130 29.538 29.700 -0.055 0.000 0.755 375 E HN 0.182 nan 8.360 nan 0.000 0.449 376 K N 1.141 121.533 120.400 -0.013 0.000 2.059 376 K HA -0.200 4.119 4.320 -0.000 0.000 0.212 376 K C 1.666 178.265 176.600 -0.001 0.000 1.050 376 K CA 1.773 58.054 56.287 -0.010 0.000 0.927 376 K CB -0.398 32.088 32.500 -0.023 0.000 0.714 376 K HN 0.353 nan 8.250 nan 0.000 0.447 377 E N -0.321 119.886 120.200 0.011 0.000 2.438 377 E HA 0.078 4.428 4.350 -0.000 0.000 0.192 377 E C 0.598 177.207 176.600 0.015 0.000 1.110 377 E CA 0.464 56.873 56.400 0.015 0.000 0.893 377 E CB -0.459 29.256 29.700 0.024 0.000 0.990 377 E HN 0.273 nan 8.360 nan 0.000 0.490 378 G N 2.866 111.675 108.800 0.014 0.000 2.296 378 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.282 378 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.282 378 G C 0.255 175.157 174.900 0.004 0.000 1.014 378 G CA 0.665 45.767 45.100 0.003 0.000 0.812 378 G HN 0.452 nan 8.290 nan 0.000 0.508 379 R N 0.081 120.604 120.500 0.040 0.000 2.649 379 R HA 0.625 4.965 4.340 -0.000 0.000 0.270 379 R C 1.107 177.435 176.300 0.046 0.000 1.105 379 R CA -0.061 56.071 56.100 0.053 0.000 1.193 379 R CB -0.177 30.140 30.300 0.030 0.000 1.120 379 R HN 1.572 nan 8.270 nan 0.000 0.561 380 G N 0.440 109.226 108.800 -0.022 0.000 2.907 380 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.242 380 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.242 380 G C -0.967 173.751 174.900 -0.304 0.000 1.448 380 G CA 0.182 45.090 45.100 -0.320 0.000 0.911 380 G HN 0.755 nan 8.290 nan 0.000 0.553 381 K N 0.329 120.523 120.400 -0.343 0.000 2.367 381 K HA 0.520 4.840 4.320 -0.000 0.000 0.263 381 K C 0.160 176.665 176.600 -0.158 0.000 1.000 381 K CA -0.326 55.857 56.287 -0.175 0.000 0.891 381 K CB 0.465 32.916 32.500 -0.083 0.000 1.117 381 K HN 0.564 nan 8.250 nan 0.000 0.443 382 T N 5.774 120.268 114.554 -0.099 0.000 2.834 382 T HA 0.228 4.578 4.350 -0.000 0.000 0.298 382 T C 0.460 175.193 174.700 0.056 0.000 0.966 382 T CA -0.165 61.919 62.100 -0.027 0.000 1.141 382 T CB -0.097 68.767 68.868 -0.008 0.000 0.905 382 T HN 0.636 nan 8.240 nan 0.000 0.535 383 I N -0.718 119.936 120.570 0.141 0.000 3.457 383 I HA 0.839 5.009 4.170 -0.000 0.000 0.307 383 I C -0.763 175.500 176.117 0.244 0.000 1.138 383 I CA -1.771 59.652 61.300 0.205 0.000 0.974 383 I CB 1.851 40.034 38.000 0.305 0.000 1.324 383 I HN 0.102 nan 8.210 nan 0.000 0.485 384 K N 1.585 122.132 120.400 0.245 0.000 2.264 384 K HA 0.611 4.931 4.320 -0.000 0.000 0.277 384 K C 0.603 177.356 176.600 0.254 0.000 1.067 384 K CA 0.304 56.719 56.287 0.215 0.000 0.900 384 K CB 1.211 33.811 32.500 0.167 0.000 1.124 384 K HN 0.719 nan 8.250 nan 0.000 0.469 385 A N 4.133 127.091 122.820 0.230 0.000 1.915 385 A HA -0.303 4.017 4.320 -0.000 0.000 0.220 385 A C 1.692 179.307 177.584 0.051 0.000 1.198 385 A CA 1.962 54.082 52.037 0.138 0.000 0.647 385 A CB -0.555 18.409 19.000 -0.061 0.000 0.825 385 A HN 0.926 nan 8.150 nan 0.000 0.456 386 Q N -1.050 118.755 119.800 0.009 0.000 2.226 386 Q HA -0.175 4.165 4.340 -0.000 0.000 0.204 386 Q C 2.146 178.197 176.000 0.085 0.000 0.975 386 Q CA 1.425 57.195 55.803 -0.056 0.000 0.866 386 Q CB -0.176 28.488 28.738 -0.124 0.000 0.915 386 Q HN 0.762 nan 8.270 nan 0.000 0.440 387 K N 1.078 121.628 120.400 0.251 0.000 2.009 387 K HA -0.169 4.151 4.320 -0.000 0.000 0.210 387 K C 2.028 178.923 176.600 0.491 0.000 1.049 387 K CA 0.994 57.513 56.287 0.387 0.000 0.929 387 K CB -0.140 32.584 32.500 0.374 0.000 0.714 387 K HN 0.207 nan 8.250 nan 0.000 0.440 388 L N 0.405 121.909 121.223 0.468 0.000 2.012 388 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 388 L C 2.358 179.376 176.870 0.246 0.000 1.073 388 L CA 1.559 56.537 54.840 0.230 0.000 0.748 388 L CB -0.519 41.611 42.059 0.117 0.000 0.891 388 L HN 0.591 nan 8.230 nan 0.000 0.431 389 W N 0.153 121.485 121.300 0.053 0.000 2.302 389 W HA -0.335 4.324 4.660 -0.000 0.000 0.320 389 W C 2.372 178.899 176.519 0.014 0.000 1.241 389 W CA 2.002 59.323 57.345 -0.040 0.000 1.264 389 W CB -0.756 28.542 29.460 -0.270 0.000 1.154 389 W HN 0.196 nan 8.180 nan 0.000 0.483 390 Y N 0.848 121.249 120.300 0.168 0.000 2.224 390 Y HA -0.272 4.278 4.550 -0.000 0.000 0.289 390 Y C 2.949 178.854 175.900 0.008 0.000 1.146 390 Y CA 1.513 59.639 58.100 0.045 0.000 1.182 390 Y CB -0.801 37.739 38.460 0.133 0.000 0.983 390 Y HN -0.156 nan 8.280 nan 0.000 0.524 391 S N 0.487 116.338 115.700 0.252 0.000 2.359 391 S HA -0.192 4.278 4.470 -0.000 0.000 0.224 391 S C 1.912 176.526 174.600 0.023 0.000 1.035 391 S CA 1.405 59.716 58.200 0.184 0.000 1.018 391 S CB -0.405 62.999 63.200 0.341 0.000 0.876 391 S HN 0.315 nan 8.310 nan 0.000 0.448 392 I N 2.042 122.561 120.570 -0.085 0.000 2.091 392 I HA -0.209 3.961 4.170 -0.000 0.000 0.239 392 I C 2.228 178.221 176.117 -0.207 0.000 1.061 392 I CA 1.594 62.771 61.300 -0.205 0.000 1.317 392 I CB -1.547 36.239 38.000 -0.356 0.000 1.031 392 I HN 0.296 nan 8.210 nan 0.000 0.401 393 L N 0.150 121.212 121.223 -0.268 0.000 2.201 393 L HA -0.137 4.203 4.340 -0.000 0.000 0.212 393 L C 2.430 179.273 176.870 -0.045 0.000 1.105 393 L CA 1.075 55.816 54.840 -0.165 0.000 0.775 393 L CB -0.719 41.237 42.059 -0.172 0.000 0.913 393 L HN 0.273 nan 8.230 nan 0.000 0.440 394 E N 0.732 120.925 120.200 -0.012 0.000 2.106 394 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 394 E C 2.380 178.974 176.600 -0.011 0.000 0.984 394 E CA 1.149 57.555 56.400 0.009 0.000 0.806 394 E CB -0.121 29.602 29.700 0.037 0.000 0.750 394 E HN 0.494 nan 8.360 nan 0.000 0.458 395 A N 0.924 123.725 122.820 -0.032 0.000 1.898 395 A HA -0.226 4.094 4.320 -0.000 0.000 0.216 395 A C 2.025 179.577 177.584 -0.054 0.000 1.181 395 A CA 1.258 53.262 52.037 -0.055 0.000 0.620 395 A CB -0.341 18.605 19.000 -0.089 0.000 0.819 395 A HN 0.152 nan 8.150 nan 0.000 0.442 396 Q N -1.167 118.603 119.800 -0.049 0.000 2.119 396 Q HA -0.109 4.231 4.340 -0.000 0.000 0.201 396 Q C 2.128 178.133 176.000 0.008 0.000 0.972 396 Q CA 1.761 57.555 55.803 -0.015 0.000 0.847 396 Q CB -0.291 28.451 28.738 0.007 0.000 0.903 396 Q HN 0.622 nan 8.270 nan 0.000 0.433 397 T N 0.493 115.049 114.554 0.003 0.000 2.777 397 T HA -0.165 4.185 4.350 -0.000 0.000 0.266 397 T C 1.593 176.296 174.700 0.005 0.000 1.040 397 T CA 1.206 63.313 62.100 0.012 0.000 1.141 397 T CB -0.041 68.834 68.868 0.012 0.000 0.868 397 T HN 0.311 nan 8.240 nan 0.000 0.444 398 E N -0.073 120.123 120.200 -0.006 0.000 2.112 398 E HA -0.074 4.276 4.350 -0.000 0.000 0.190 398 E C 1.946 178.536 176.600 -0.018 0.000 0.979 398 E CA 1.369 57.760 56.400 -0.014 0.000 0.814 398 E CB 0.272 29.958 29.700 -0.022 0.000 0.762 398 E HN 0.601 nan 8.360 nan 0.000 0.460 399 T N -5.089 109.458 114.554 -0.012 0.000 3.016 399 T HA 0.314 4.663 4.350 -0.000 0.000 0.271 399 T C 1.239 175.982 174.700 0.072 0.000 0.968 399 T CA 0.518 62.620 62.100 0.002 0.000 0.891 399 T CB 1.116 69.961 68.868 -0.039 0.000 1.149 399 T HN 0.215 nan 8.240 nan 0.000 0.524 400 G N 1.534 110.379 108.800 0.076 0.000 2.159 400 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.256 400 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.256 400 G C 0.214 175.200 174.900 0.143 0.000 0.977 400 G CA 0.663 45.862 45.100 0.164 0.000 0.652 400 G HN 1.518 nan 8.290 nan 0.000 0.531 401 T N -2.465 112.090 114.554 0.002 0.000 2.868 401 T HA 0.759 5.109 4.350 -0.000 0.000 0.306 401 T C -3.419 171.171 174.700 -0.184 0.000 1.224 401 T CA -1.300 60.698 62.100 -0.169 0.000 1.012 401 T CB 3.601 72.267 68.868 -0.336 0.000 1.221 401 T HN 0.122 nan 8.240 nan 0.000 0.499 402 P HA 0.351 nan 4.420 nan 0.000 0.282 402 P C -0.243 176.959 177.300 -0.163 0.000 1.249 402 P CA -0.692 62.201 63.100 -0.345 0.000 0.806 402 P CB 0.401 31.927 31.700 -0.290 0.000 0.984 403 F N 0.265 120.110 119.950 -0.176 0.000 2.626 403 F HA 0.104 4.631 4.527 -0.000 0.000 0.354 403 F C 0.989 176.711 175.800 -0.129 0.000 1.168 403 F CA -0.421 57.500 58.000 -0.132 0.000 1.368 403 F CB 0.182 39.115 39.000 -0.112 0.000 1.092 403 F HN -0.010 nan 8.300 nan 0.000 0.612 404 V N 3.133 123.106 119.914 0.098 0.000 2.443 404 V HA 0.405 4.525 4.120 -0.000 0.000 0.293 404 V C -0.505 175.477 176.094 -0.187 0.000 1.021 404 V CA -0.640 61.579 62.300 -0.134 0.000 0.848 404 V CB 1.599 33.273 31.823 -0.249 0.000 0.998 404 V HN 0.491 nan 8.190 nan 0.000 0.424 405 V N 4.869 124.665 119.914 -0.197 0.000 2.588 405 V HA 0.454 4.574 4.120 -0.000 0.000 0.304 405 V C -1.126 174.680 176.094 -0.480 0.000 1.042 405 V CA -0.902 61.301 62.300 -0.161 0.000 0.877 405 V CB 2.048 34.039 31.823 0.280 0.000 0.996 405 V HN 0.753 nan 8.190 nan 0.000 0.425 406 Y N 3.420 123.592 120.300 -0.214 0.000 2.504 406 Y HA 0.218 4.768 4.550 -0.000 0.000 0.351 406 Y C 1.490 176.998 175.900 -0.653 0.000 0.988 406 Y CA -0.096 57.807 58.100 -0.330 0.000 1.239 406 Y CB 0.950 39.357 38.460 -0.089 0.000 1.128 406 Y HN 0.721 nan 8.280 nan 0.000 0.525 407 K N 1.689 121.517 120.400 -0.954 0.000 2.052 407 K HA -0.287 4.033 4.320 -0.000 0.000 0.215 407 K C 0.897 177.178 176.600 -0.531 0.000 1.053 407 K CA 2.481 58.007 56.287 -1.269 0.000 0.934 407 K CB 0.077 31.845 32.500 -1.220 0.000 0.717 407 K HN 0.680 nan 8.250 nan 0.000 0.450 408 D N -0.096 120.143 120.400 -0.268 0.000 2.144 408 D HA -0.098 4.542 4.640 -0.000 0.000 0.200 408 D C 1.873 178.080 176.300 -0.154 0.000 0.978 408 D CA 1.307 55.243 54.000 -0.106 0.000 0.833 408 D CB -0.221 40.593 40.800 0.024 0.000 0.961 408 D HN 0.424 nan 8.370 nan 0.000 0.470 409 A N 0.703 123.424 122.820 -0.165 0.000 1.877 409 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 409 A C 2.576 180.028 177.584 -0.219 0.000 1.186 409 A CA 1.268 53.168 52.037 -0.228 0.000 0.620 409 A CB -1.039 17.833 19.000 -0.213 0.000 0.822 409 A HN 0.324 nan 8.150 nan 0.000 0.443 410 C N -0.300 118.886 119.300 -0.189 0.000 2.401 410 C HA -0.140 4.320 4.460 -0.000 0.000 0.276 410 C C 2.719 177.609 174.990 -0.166 0.000 1.233 410 C CA 1.385 60.327 59.018 -0.127 0.000 1.753 410 C CB -1.440 26.253 27.740 -0.077 0.000 2.029 410 C HN 0.643 nan 8.230 nan 0.000 0.478 411 N N -0.296 118.218 118.700 -0.310 0.000 2.290 411 N HA -0.006 4.733 4.740 -0.000 0.000 0.179 411 N C 1.984 177.233 175.510 -0.435 0.000 1.016 411 N CA 0.648 53.383 53.050 -0.525 0.000 0.871 411 N CB -0.327 37.464 38.487 -1.160 0.000 0.987 411 N HN 0.530 nan 8.380 nan 0.000 0.431 412 R N 0.981 121.316 120.500 -0.274 0.000 2.120 412 R HA 0.030 4.370 4.340 -0.000 0.000 0.234 412 R C 0.659 176.880 176.300 -0.132 0.000 1.123 412 R CA 1.123 57.169 56.100 -0.089 0.000 0.975 412 R CB 0.180 30.430 30.300 -0.083 0.000 0.866 412 R HN 0.072 nan 8.270 nan 0.000 0.446 413 K N -0.378 119.915 120.400 -0.179 0.000 2.618 413 K HA 0.147 4.466 4.320 -0.000 0.000 0.207 413 K C -0.555 175.999 176.600 -0.076 0.000 1.058 413 K CA -0.155 56.035 56.287 -0.163 0.000 1.086 413 K CB 1.415 33.733 32.500 -0.303 0.000 0.827 413 K HN -0.119 nan 8.250 nan 0.000 0.481 414 S N 0.671 116.327 115.700 -0.072 0.000 2.462 414 S HA 0.130 4.599 4.470 -0.000 0.000 0.294 414 S C 0.761 175.352 174.600 -0.015 0.000 1.144 414 S CA -0.587 57.592 58.200 -0.035 0.000 1.088 414 S CB 0.966 64.139 63.200 -0.046 0.000 1.009 414 S HN 0.262 nan 8.310 nan 0.000 0.484 415 N N 3.412 122.121 118.700 0.015 0.000 2.443 415 N HA -0.056 4.684 4.740 -0.000 0.000 0.184 415 N C 1.371 176.899 175.510 0.030 0.000 1.037 415 N CA 1.300 54.375 53.050 0.041 0.000 0.896 415 N CB 0.059 38.602 38.487 0.094 0.000 0.959 415 N HN 0.691 nan 8.380 nan 0.000 0.442 416 Q N -0.413 119.384 119.800 -0.005 0.000 2.403 416 Q HA 0.050 4.390 4.340 -0.000 0.000 0.203 416 Q C 1.196 177.161 176.000 -0.057 0.000 0.932 416 Q CA -0.048 55.730 55.803 -0.041 0.000 0.945 416 Q CB 0.255 28.948 28.738 -0.074 0.000 1.045 416 Q HN 0.318 nan 8.270 nan 0.000 0.511 417 K N 1.016 121.391 120.400 -0.041 0.000 2.250 417 K HA -0.267 4.052 4.320 -0.000 0.000 0.217 417 K C 1.072 177.652 176.600 -0.032 0.000 1.010 417 K CA 1.977 58.244 56.287 -0.034 0.000 0.937 417 K CB -0.146 32.345 32.500 -0.015 0.000 0.892 417 K HN 0.263 nan 8.250 nan 0.000 0.481 418 N N 0.249 118.918 118.700 -0.050 0.000 2.322 418 N HA 0.054 4.794 4.740 -0.000 0.000 0.194 418 N C 1.233 176.668 175.510 -0.124 0.000 1.126 418 N CA 0.316 53.330 53.050 -0.059 0.000 0.845 418 N CB 0.291 38.752 38.487 -0.044 0.000 0.976 418 N HN 0.236 nan 8.380 nan 0.000 0.475 419 L N -0.930 120.154 121.223 -0.231 0.000 2.270 419 L HA 0.191 4.531 4.340 -0.000 0.000 0.210 419 L C 1.432 177.914 176.870 -0.646 0.000 1.104 419 L CA 0.515 55.060 54.840 -0.492 0.000 0.804 419 L CB -0.106 41.502 42.059 -0.751 0.000 0.937 419 L HN 0.188 nan 8.230 nan 0.000 0.450 420 G N -0.872 107.739 108.800 -0.315 0.000 2.470 420 G HA2 0.050 4.010 3.960 -0.000 0.000 0.145 420 G HA3 0.050 4.010 3.960 -0.000 0.000 0.145 420 G C -1.483 173.512 174.900 0.159 0.000 1.223 420 G CA -0.496 44.582 45.100 -0.036 0.000 1.058 420 G HN -0.285 nan 8.290 nan 0.000 0.469 421 V N 1.578 121.676 119.914 0.307 0.000 2.357 421 V HA 0.489 4.609 4.120 -0.000 0.000 0.284 421 V C 0.405 176.603 176.094 0.173 0.000 1.018 421 V CA -0.431 61.998 62.300 0.215 0.000 0.841 421 V CB 1.101 33.062 31.823 0.229 0.000 0.991 421 V HN 0.560 nan 8.190 nan 0.000 0.437 422 I N 5.059 125.690 120.570 0.102 0.000 2.533 422 I HA 0.140 4.310 4.170 -0.000 0.000 0.284 422 I C 1.114 177.176 176.117 -0.092 0.000 1.109 422 I CA 0.407 61.707 61.300 -0.001 0.000 1.412 422 I CB 0.631 38.666 38.000 0.058 0.000 1.396 422 I HN 0.640 nan 8.210 nan 0.000 0.543 423 K N 3.800 123.877 120.400 -0.539 0.000 2.374 423 K HA 0.173 4.493 4.320 -0.000 0.000 0.202 423 K C -0.062 175.558 176.600 -1.633 0.000 1.040 423 K CA -0.004 55.714 56.287 -0.947 0.000 1.085 423 K CB 0.526 32.321 32.500 -1.174 0.000 0.873 423 K HN 0.781 nan 8.250 nan 0.000 0.539 424 S N -1.878 112.829 115.700 -1.654 0.000 2.636 424 S HA 0.382 4.852 4.470 -0.000 0.000 0.266 424 S C -0.727 173.088 174.600 -1.309 0.000 1.147 424 S CA -0.852 56.250 58.200 -1.830 0.000 0.815 424 S CB 1.661 64.227 63.200 -1.056 0.000 1.119 424 S HN -0.058 nan 8.310 nan 0.000 0.470 425 S N 0.362 115.259 115.700 -1.339 0.000 2.702 425 S HA 0.649 5.119 4.470 -0.000 0.000 0.272 425 S C -0.056 174.256 174.600 -0.480 0.000 1.068 425 S CA -0.308 57.576 58.200 -0.528 0.000 0.964 425 S CB 0.297 63.484 63.200 -0.021 0.000 1.307 425 S HN 1.001 nan 8.310 nan 0.000 0.567 426 N N 0.148 118.801 118.700 -0.078 0.000 3.040 426 N HA 0.195 4.935 4.740 -0.000 0.000 0.339 426 N C 0.899 176.564 175.510 0.259 0.000 1.387 426 N CA -0.496 52.589 53.050 0.057 0.000 0.745 426 N CB -0.497 38.004 38.487 0.023 0.000 1.237 426 N HN 0.483 nan 8.380 nan 0.000 0.565 427 L N 0.039 121.382 121.223 0.199 0.000 2.109 427 L HA 0.216 4.556 4.340 -0.000 0.000 0.207 427 L C 0.375 177.310 176.870 0.108 0.000 1.086 427 L CA 1.008 55.997 54.840 0.248 0.000 0.760 427 L CB -0.237 41.964 42.059 0.236 0.000 0.910 427 L HN 0.596 nan 8.230 nan 0.000 0.437 428 C N -2.316 116.916 119.300 -0.113 0.000 2.484 428 C HA 0.399 4.859 4.460 -0.000 0.000 0.409 428 C C 0.871 175.526 174.990 -0.558 0.000 1.434 428 C CA -1.002 57.624 59.018 -0.653 0.000 1.913 428 C CB 0.926 28.367 27.740 -0.499 0.000 2.028 428 C HN 0.442 nan 8.230 nan 0.000 0.516 429 C N 1.538 120.386 119.300 -0.753 0.000 2.641 429 C HA 0.233 4.693 4.460 -0.000 0.000 0.294 429 C C 1.658 176.572 174.990 -0.126 0.000 1.496 429 C CA -0.271 58.584 59.018 -0.271 0.000 1.672 429 C CB -2.093 25.542 27.740 -0.175 0.000 2.763 429 C HN 0.994 nan 8.230 nan 0.000 0.545 430 E N 1.501 121.642 120.200 -0.098 0.000 2.206 430 E HA 0.018 4.368 4.350 -0.000 0.000 0.195 430 E C 0.614 177.222 176.600 0.014 0.000 0.935 430 E CA 0.393 56.787 56.400 -0.010 0.000 0.875 430 E CB -0.120 29.595 29.700 0.025 0.000 0.841 430 E HN 0.600 nan 8.360 nan 0.000 0.477 431 I N 1.158 121.724 120.570 -0.007 0.000 2.395 431 I HA 0.351 4.520 4.170 -0.000 0.000 0.289 431 I C -0.443 175.664 176.117 -0.015 0.000 1.023 431 I CA -1.031 60.264 61.300 -0.009 0.000 1.350 431 I CB 1.895 39.880 38.000 -0.026 0.000 1.409 431 I HN -0.117 nan 8.210 nan 0.000 0.507 432 V N 6.414 126.328 119.914 -0.000 0.000 2.357 432 V HA 0.647 4.766 4.120 -0.000 0.000 0.281 432 V C -0.826 175.260 176.094 -0.013 0.000 1.015 432 V CA 0.131 62.434 62.300 0.006 0.000 0.827 432 V CB 0.755 32.626 31.823 0.080 0.000 1.018 432 V HN 0.981 nan 8.190 nan 0.000 0.432 433 E N 4.375 124.545 120.200 -0.049 0.000 2.383 433 E HA 0.351 4.700 4.350 -0.000 0.000 0.275 433 E C -1.761 174.812 176.600 -0.045 0.000 0.918 433 E CA -0.882 55.492 56.400 -0.042 0.000 0.764 433 E CB 2.690 32.359 29.700 -0.052 0.000 1.252 433 E HN 0.766 nan 8.360 nan 0.000 0.449 434 Y N 2.055 122.268 120.300 -0.145 0.000 2.578 434 Y HA 0.191 4.741 4.550 -0.000 0.000 0.339 434 Y C -0.213 175.631 175.900 -0.093 0.000 1.231 434 Y CA 0.589 58.609 58.100 -0.134 0.000 1.461 434 Y CB 0.577 38.941 38.460 -0.160 0.000 1.323 434 Y HN 0.490 nan 8.280 nan 0.000 0.590 435 S N 3.459 118.680 115.700 -0.799 0.000 2.570 435 S HA 0.962 5.432 4.470 -0.000 0.000 0.270 435 S C -1.268 172.958 174.600 -0.624 0.000 1.149 435 S CA -0.394 57.517 58.200 -0.481 0.000 0.837 435 S CB 1.525 64.624 63.200 -0.167 0.000 1.124 435 S HN 1.445 nan 8.310 nan 0.000 0.465 436 A N 0.771 123.431 122.820 -0.265 0.000 2.586 436 A HA 0.842 5.162 4.320 -0.000 0.000 0.291 436 A C -2.864 174.702 177.584 -0.030 0.000 1.062 436 A CA -1.315 50.647 52.037 -0.126 0.000 0.666 436 A CB 0.114 19.095 19.000 -0.032 0.000 1.281 436 A HN 0.506 nan 8.150 nan 0.000 0.421 437 P HA -0.179 nan 4.420 nan 0.000 0.217 437 P C 0.524 177.836 177.300 0.020 0.000 1.148 437 P CA 2.082 65.186 63.100 0.006 0.000 0.834 437 P CB 0.137 31.854 31.700 0.028 0.000 0.783 438 D N -1.854 118.572 120.400 0.044 0.000 2.369 438 D HA 0.026 4.665 4.640 -0.000 0.000 0.211 438 D C 0.181 176.515 176.300 0.057 0.000 1.077 438 D CA 0.219 54.248 54.000 0.049 0.000 0.842 438 D CB -0.052 40.784 40.800 0.059 0.000 0.947 438 D HN 0.187 nan 8.370 nan 0.000 0.509 439 E N 0.021 120.258 120.200 0.062 0.000 2.343 439 E HA 0.261 4.611 4.350 -0.000 0.000 0.260 439 E C -1.423 175.205 176.600 0.047 0.000 0.908 439 E CA -0.391 56.062 56.400 0.088 0.000 0.814 439 E CB 1.298 31.109 29.700 0.185 0.000 1.302 439 E HN -0.212 nan 8.360 nan 0.000 0.408 440 T N 2.765 117.351 114.554 0.055 0.000 2.753 440 T HA 0.488 4.838 4.350 -0.000 0.000 0.297 440 T C -0.024 174.718 174.700 0.070 0.000 0.981 440 T CA -0.369 61.766 62.100 0.058 0.000 0.956 440 T CB 1.009 69.939 68.868 0.103 0.000 0.936 440 T HN 0.536 nan 8.240 nan 0.000 0.463 441 A N 3.824 126.657 122.820 0.022 0.000 2.498 441 A HA 0.544 4.864 4.320 -0.000 0.000 0.239 441 A C 0.110 177.651 177.584 -0.072 0.000 1.068 441 A CA -0.223 51.811 52.037 -0.006 0.000 0.766 441 A CB 0.192 19.166 19.000 -0.042 0.000 1.003 441 A HN 0.670 nan 8.150 nan 0.000 0.497 442 V N 0.731 120.570 119.914 -0.124 0.000 2.914 442 V HA 0.643 4.763 4.120 -0.000 0.000 0.314 442 V C -0.262 175.691 176.094 -0.235 0.000 1.084 442 V CA -0.612 61.484 62.300 -0.339 0.000 0.963 442 V CB 1.799 33.490 31.823 -0.220 0.000 1.025 442 V HN 1.133 nan 8.190 nan 0.000 0.432 443 C N 2.741 121.863 119.300 -0.296 0.000 2.891 443 C HA 0.525 4.985 4.460 -0.000 0.000 0.342 443 C C -0.540 174.384 174.990 -0.110 0.000 1.126 443 C CA -0.876 58.057 59.018 -0.142 0.000 1.322 443 C CB 1.437 29.126 27.740 -0.085 0.000 1.763 443 C HN 1.063 nan 8.230 nan 0.000 0.491 444 N N 3.253 121.926 118.700 -0.044 0.000 2.473 444 N HA 0.773 5.513 4.740 -0.000 0.000 0.291 444 N C -1.178 174.356 175.510 0.039 0.000 1.083 444 N CA -0.385 52.670 53.050 0.009 0.000 0.951 444 N CB 0.865 39.371 38.487 0.032 0.000 1.164 444 N HN 0.496 nan 8.380 nan 0.000 0.480 445 L N 0.775 122.041 121.223 0.071 0.000 2.354 445 L HA 0.932 5.272 4.340 -0.000 0.000 0.269 445 L C -0.526 176.387 176.870 0.073 0.000 1.005 445 L CA -1.161 53.717 54.840 0.064 0.000 0.819 445 L CB 1.833 43.929 42.059 0.061 0.000 1.311 445 L HN 0.526 nan 8.230 nan 0.000 0.423 446 A N 1.204 124.023 122.820 -0.002 0.000 2.515 446 A HA 0.816 5.136 4.320 -0.000 0.000 0.298 446 A C -0.744 176.820 177.584 -0.034 0.000 1.059 446 A CA -0.513 51.466 52.037 -0.097 0.000 0.698 446 A CB 2.078 20.845 19.000 -0.389 0.000 1.289 446 A HN 0.699 nan 8.150 nan 0.000 0.404 447 S N 0.582 116.292 115.700 0.017 0.000 2.482 447 S HA 0.669 5.139 4.470 -0.000 0.000 0.303 447 S C -0.565 174.109 174.600 0.124 0.000 1.091 447 S CA -0.669 57.570 58.200 0.066 0.000 1.057 447 S CB 1.390 64.644 63.200 0.090 0.000 1.031 447 S HN 0.966 nan 8.310 nan 0.000 0.485 448 V N 2.556 122.536 119.914 0.110 0.000 2.530 448 V HA 0.539 4.659 4.120 -0.000 0.000 0.282 448 V C 0.701 176.908 176.094 0.188 0.000 1.048 448 V CA -0.236 62.186 62.300 0.203 0.000 0.997 448 V CB 1.003 32.894 31.823 0.113 0.000 0.987 448 V HN 1.134 nan 8.190 nan 0.000 0.477 449 A N 6.247 129.196 122.820 0.216 0.000 2.527 449 A HA 0.440 4.760 4.320 -0.000 0.000 0.313 449 A C 1.043 178.617 177.584 -0.016 0.000 1.410 449 A CA -0.341 51.710 52.037 0.024 0.000 1.060 449 A CB -0.131 18.868 19.000 -0.001 0.000 1.137 449 A HN 0.917 nan 8.150 nan 0.000 0.542 450 L N 2.499 123.711 121.223 -0.019 0.000 2.042 450 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 450 L C -0.538 176.385 176.870 0.089 0.000 1.076 450 L CA 1.426 56.346 54.840 0.134 0.000 0.749 450 L CB -1.389 40.648 42.059 -0.036 0.000 0.893 450 L HN 0.402 nan 8.230 nan 0.000 0.432 451 P HA -0.201 nan 4.420 nan 0.000 0.217 451 P C 1.398 178.571 177.300 -0.211 0.000 1.148 451 P CA 1.734 64.694 63.100 -0.233 0.000 0.828 451 P CB -0.045 31.367 31.700 -0.479 0.000 0.783 452 A N -1.764 120.828 122.820 -0.380 0.000 2.125 452 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 452 A C 1.391 178.563 177.584 -0.686 0.000 1.156 452 A CA 1.132 52.795 52.037 -0.622 0.000 0.671 452 A CB -1.592 16.836 19.000 -0.953 0.000 0.794 452 A HN 0.189 nan 8.150 nan 0.000 0.459 453 F N -0.559 119.263 119.950 -0.212 0.000 2.693 453 F HA 0.365 4.892 4.527 -0.000 0.000 0.303 453 F C 0.410 175.846 175.800 -0.607 0.000 1.097 453 F CA -0.344 57.392 58.000 -0.441 0.000 1.330 453 F CB -0.031 38.547 39.000 -0.704 0.000 1.067 453 F HN -0.018 nan 8.300 nan 0.000 0.565 454 I N 0.853 121.309 120.570 -0.189 0.000 2.441 454 I HA 0.117 4.286 4.170 -0.000 0.000 0.287 454 I C -0.029 176.062 176.117 -0.044 0.000 1.049 454 I CA 0.107 61.376 61.300 -0.052 0.000 1.381 454 I CB 0.865 38.892 38.000 0.044 0.000 1.409 454 I HN 0.059 nan 8.210 nan 0.000 0.523 455 E N 3.548 123.749 120.200 0.002 0.000 2.199 455 E HA 0.437 4.787 4.350 -0.000 0.000 0.269 455 E C -1.125 175.505 176.600 0.051 0.000 0.899 455 E CA -0.582 55.828 56.400 0.017 0.000 0.772 455 E CB 2.058 31.764 29.700 0.010 0.000 1.155 455 E HN 0.455 nan 8.360 nan 0.000 0.408 456 T N 1.626 116.204 114.554 0.040 0.000 2.823 456 T HA 0.264 4.614 4.350 -0.000 0.000 0.279 456 T C -0.163 174.561 174.700 0.040 0.000 0.998 456 T CA -0.742 61.387 62.100 0.048 0.000 0.994 456 T CB 1.184 70.077 68.868 0.043 0.000 0.960 456 T HN 0.559 nan 8.240 nan 0.000 0.448 457 S N 1.985 117.711 115.700 0.044 0.000 2.576 457 S HA 0.075 4.545 4.470 -0.000 0.000 0.272 457 S C 1.330 175.948 174.600 0.030 0.000 1.352 457 S CA -0.350 57.872 58.200 0.037 0.000 1.021 457 S CB 0.655 63.877 63.200 0.037 0.000 0.887 457 S HN 0.739 nan 8.310 nan 0.000 0.542 458 E N 1.087 121.303 120.200 0.026 0.000 2.160 458 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 458 E C 1.167 177.780 176.600 0.022 0.000 0.991 458 E CA 1.914 58.327 56.400 0.022 0.000 0.810 458 E CB -0.394 29.317 29.700 0.018 0.000 0.742 458 E HN 0.896 nan 8.360 nan 0.000 0.466 459 D N -1.795 118.619 120.400 0.024 0.000 2.340 459 D HA 0.089 4.729 4.640 -0.000 0.000 0.220 459 D C 1.390 177.707 176.300 0.028 0.000 1.039 459 D CA 0.766 54.780 54.000 0.024 0.000 0.866 459 D CB -0.234 40.579 40.800 0.022 0.000 0.913 459 D HN 0.243 nan 8.370 nan 0.000 0.523 460 G N 0.729 109.548 108.800 0.032 0.000 2.196 460 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.268 460 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.268 460 G C 1.280 176.205 174.900 0.040 0.000 0.975 460 G CA 0.704 45.826 45.100 0.037 0.000 0.648 460 G HN 0.381 nan 8.290 nan 0.000 0.538 461 K N -0.159 120.263 120.400 0.037 0.000 2.243 461 K HA 0.098 4.418 4.320 -0.000 0.000 0.201 461 K C 1.272 177.897 176.600 0.042 0.000 1.051 461 K CA 1.345 57.654 56.287 0.036 0.000 0.970 461 K CB 0.165 32.682 32.500 0.029 0.000 0.755 461 K HN 0.610 nan 8.250 nan 0.000 0.465 462 T N 0.198 114.778 114.554 0.044 0.000 2.876 462 T HA 0.390 4.740 4.350 -0.000 0.000 0.289 462 T C -0.716 174.025 174.700 0.069 0.000 1.014 462 T CA -0.680 61.451 62.100 0.051 0.000 0.986 462 T CB 1.648 70.537 68.868 0.035 0.000 1.021 462 T HN 0.125 nan 8.240 nan 0.000 0.458 463 S N 2.732 118.492 115.700 0.099 0.000 2.600 463 S HA 0.865 5.335 4.470 -0.000 0.000 0.300 463 S C -0.499 174.215 174.600 0.189 0.000 1.087 463 S CA -0.672 57.613 58.200 0.142 0.000 0.965 463 S CB 2.032 65.334 63.200 0.170 0.000 1.089 463 S HN 0.874 nan 8.310 nan 0.000 0.496 464 T N 0.625 115.312 114.554 0.222 0.000 2.868 464 T HA 0.499 4.849 4.350 -0.000 0.000 0.306 464 T C -2.326 172.563 174.700 0.315 0.000 1.224 464 T CA -0.408 61.832 62.100 0.234 0.000 1.012 464 T CB 1.238 70.181 68.868 0.125 0.000 1.221 464 T HN 0.641 nan 8.240 nan 0.000 0.499 465 Y N 3.464 123.897 120.300 0.221 0.000 2.402 465 Y HA 0.433 4.983 4.550 -0.000 0.000 0.332 465 Y C 0.454 176.180 175.900 -0.290 0.000 0.960 465 Y CA -0.981 57.074 58.100 -0.074 0.000 1.228 465 Y CB 0.666 38.983 38.460 -0.238 0.000 1.120 465 Y HN 0.493 nan 8.280 nan 0.000 0.491 466 N N 5.912 124.303 118.700 -0.515 0.000 2.543 466 N HA -0.040 4.700 4.740 -0.000 0.000 0.289 466 N C 0.434 175.763 175.510 -0.303 0.000 1.223 466 N CA 0.611 53.497 53.050 -0.274 0.000 1.080 466 N CB -0.305 38.119 38.487 -0.105 0.000 1.450 466 N HN 0.695 nan 8.380 nan 0.000 0.501 467 F N 1.640 121.629 119.950 0.064 0.000 2.234 467 F HA -0.104 4.423 4.527 -0.000 0.000 0.299 467 F C 2.083 178.012 175.800 0.215 0.000 1.087 467 F CA 0.750 58.849 58.000 0.164 0.000 1.340 467 F CB 0.138 39.283 39.000 0.243 0.000 1.031 467 F HN 0.278 nan 8.300 nan 0.000 0.500 468 K N 0.752 121.347 120.400 0.324 0.000 2.032 468 K HA -0.197 4.123 4.320 -0.000 0.000 0.209 468 K C 2.046 178.744 176.600 0.164 0.000 1.048 468 K CA 1.330 57.780 56.287 0.271 0.000 0.927 468 K CB -0.285 32.297 32.500 0.137 0.000 0.712 468 K HN 0.032 nan 8.250 nan 0.000 0.441 469 K N 0.190 120.647 120.400 0.095 0.000 2.097 469 K HA -0.120 4.200 4.320 -0.000 0.000 0.205 469 K C 2.001 178.590 176.600 -0.018 0.000 1.050 469 K CA 1.071 57.420 56.287 0.105 0.000 0.938 469 K CB -0.149 32.480 32.500 0.215 0.000 0.718 469 K HN 0.048 nan 8.250 nan 0.000 0.442 470 L N 0.768 121.767 121.223 -0.373 0.000 2.046 470 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 470 L C 2.176 178.830 176.870 -0.361 0.000 1.077 470 L CA 2.076 56.374 54.840 -0.903 0.000 0.747 470 L CB -0.734 40.767 42.059 -0.929 0.000 0.896 470 L HN 0.290 nan 8.230 nan 0.000 0.432 471 H N -1.011 117.917 119.070 -0.237 0.000 2.319 471 H HA -0.191 4.365 4.556 -0.000 0.000 0.299 471 H C 2.167 177.355 175.328 -0.233 0.000 1.092 471 H CA 1.992 57.860 56.048 -0.301 0.000 1.302 471 H CB 0.165 29.683 29.762 -0.406 0.000 1.373 471 H HN 0.432 nan 8.280 nan 0.000 0.497 472 E N 0.486 120.693 120.200 0.012 0.000 2.023 472 E HA -0.138 4.212 4.350 -0.000 0.000 0.196 472 E C 2.270 178.818 176.600 -0.087 0.000 1.003 472 E CA 1.496 57.885 56.400 -0.018 0.000 0.809 472 E CB -0.381 29.331 29.700 0.020 0.000 0.755 472 E HN 0.483 nan 8.360 nan 0.000 0.449 473 I N 0.763 121.303 120.570 -0.050 0.000 2.248 473 I HA -0.294 3.876 4.170 -0.000 0.000 0.248 473 I C 2.269 178.291 176.117 -0.158 0.000 1.107 473 I CA 1.481 62.775 61.300 -0.011 0.000 1.373 473 I CB -1.453 36.694 38.000 0.245 0.000 1.055 473 I HN 0.153 nan 8.210 nan 0.000 0.418 474 A N 0.817 123.501 122.820 -0.228 0.000 1.972 474 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 474 A C 2.311 179.723 177.584 -0.286 0.000 1.169 474 A CA 1.224 53.091 52.037 -0.283 0.000 0.635 474 A CB -0.352 18.456 19.000 -0.321 0.000 0.810 474 A HN 0.371 nan 8.150 nan 0.000 0.446 475 K N -0.244 119.987 120.400 -0.282 0.000 2.057 475 K HA -0.058 4.262 4.320 -0.000 0.000 0.206 475 K C 1.935 178.438 176.600 -0.162 0.000 1.050 475 K CA 1.325 57.476 56.287 -0.226 0.000 0.935 475 K CB -0.606 31.776 32.500 -0.196 0.000 0.715 475 K HN 0.339 nan 8.250 nan 0.000 0.439 476 V N 1.682 121.507 119.914 -0.150 0.000 2.255 476 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 476 V C 2.502 178.490 176.094 -0.176 0.000 1.051 476 V CA 1.625 63.861 62.300 -0.108 0.000 1.018 476 V CB -0.490 31.301 31.823 -0.053 0.000 0.641 476 V HN 0.038 nan 8.190 nan 0.000 0.445 477 V N -0.267 119.418 119.914 -0.382 0.000 2.343 477 V HA -0.277 3.843 4.120 -0.000 0.000 0.247 477 V C 2.576 178.542 176.094 -0.214 0.000 1.051 477 V CA 2.596 64.603 62.300 -0.487 0.000 1.036 477 V CB -0.977 30.435 31.823 -0.685 0.000 0.654 477 V HN 0.631 nan 8.190 nan 0.000 0.451 478 T N -0.141 114.307 114.554 -0.175 0.000 2.684 478 T HA -0.220 4.130 4.350 -0.000 0.000 0.267 478 T C 2.029 176.698 174.700 -0.050 0.000 1.036 478 T CA 1.657 63.696 62.100 -0.103 0.000 1.148 478 T CB -0.255 68.541 68.868 -0.120 0.000 0.863 478 T HN 0.471 nan 8.240 nan 0.000 0.436 479 R N 0.966 121.443 120.500 -0.038 0.000 2.092 479 R HA -0.029 4.311 4.340 -0.000 0.000 0.231 479 R C 2.359 178.689 176.300 0.049 0.000 1.119 479 R CA 1.281 57.390 56.100 0.016 0.000 0.970 479 R CB -0.345 29.977 30.300 0.037 0.000 0.864 479 R HN 0.350 nan 8.270 nan 0.000 0.440 480 N N 1.144 119.887 118.700 0.072 0.000 2.039 480 N HA -0.131 4.609 4.740 -0.000 0.000 0.193 480 N C 1.867 177.405 175.510 0.047 0.000 1.044 480 N CA 1.166 54.260 53.050 0.074 0.000 0.847 480 N CB -0.478 38.172 38.487 0.271 0.000 1.030 480 N HN 0.108 nan 8.380 nan 0.000 0.422 481 L N 0.458 121.741 121.223 0.100 0.000 2.081 481 L HA -0.213 4.126 4.340 -0.000 0.000 0.212 481 L C 1.932 178.819 176.870 0.027 0.000 1.080 481 L CA 1.172 56.060 54.840 0.080 0.000 0.754 481 L CB -0.481 41.607 42.059 0.049 0.000 0.893 481 L HN 0.265 nan 8.230 nan 0.000 0.433 482 N N -0.261 118.447 118.700 0.014 0.000 2.216 482 N HA -0.133 4.607 4.740 -0.000 0.000 0.183 482 N C 1.960 177.475 175.510 0.007 0.000 1.017 482 N CA 0.834 53.891 53.050 0.012 0.000 0.861 482 N CB 0.130 38.623 38.487 0.009 0.000 0.986 482 N HN 0.047 nan 8.380 nan 0.000 0.428 483 R N 0.113 120.602 120.500 -0.018 0.000 2.092 483 R HA 0.003 4.342 4.340 -0.000 0.000 0.231 483 R C 1.987 178.264 176.300 -0.037 0.000 1.119 483 R CA 0.616 56.693 56.100 -0.038 0.000 0.970 483 R CB -0.985 29.245 30.300 -0.117 0.000 0.864 483 R HN 0.187 nan 8.270 nan 0.000 0.440 484 V N 1.876 121.758 119.914 -0.053 0.000 2.324 484 V HA -0.264 3.856 4.120 -0.000 0.000 0.250 484 V C 2.424 178.520 176.094 0.003 0.000 1.060 484 V CA 1.743 64.016 62.300 -0.045 0.000 1.042 484 V CB -0.500 31.293 31.823 -0.050 0.000 0.650 484 V HN 0.217 nan 8.190 nan 0.000 0.450 485 I N 0.202 120.796 120.570 0.039 0.000 2.145 485 I HA -0.308 3.862 4.170 -0.000 0.000 0.244 485 I C 2.201 178.418 176.117 0.166 0.000 1.075 485 I CA 1.945 63.315 61.300 0.116 0.000 1.332 485 I CB -0.535 37.525 38.000 0.101 0.000 1.033 485 I HN 0.353 nan 8.210 nan 0.000 0.410 486 D N 0.328 120.790 120.400 0.102 0.000 2.234 486 D HA -0.054 4.586 4.640 -0.000 0.000 0.205 486 D C 2.075 178.441 176.300 0.109 0.000 0.962 486 D CA 0.918 54.982 54.000 0.108 0.000 0.855 486 D CB -0.050 40.789 40.800 0.066 0.000 0.951 486 D HN 0.384 nan 8.370 nan 0.000 0.500 487 R N 0.176 120.716 120.500 0.067 0.000 2.362 487 R HA 0.117 4.457 4.340 -0.000 0.000 0.227 487 R C 0.427 176.755 176.300 0.045 0.000 0.905 487 R CA -0.372 55.761 56.100 0.055 0.000 1.067 487 R CB 0.145 30.457 30.300 0.021 0.000 1.078 487 R HN -0.026 nan 8.270 nan 0.000 0.516 488 N N 0.846 119.546 118.700 -0.000 0.000 2.508 488 N HA -0.106 4.634 4.740 -0.000 0.000 0.264 488 N C -1.166 174.256 175.510 -0.147 0.000 1.216 488 N CA -0.133 52.823 53.050 -0.156 0.000 0.943 488 N CB 0.429 38.658 38.487 -0.430 0.000 1.113 488 N HN 0.034 nan 8.380 nan 0.000 0.447 489 Y N 3.837 124.013 120.300 -0.207 0.000 2.425 489 Y HA 0.290 4.840 4.550 -0.000 0.000 0.347 489 Y C -1.124 174.680 175.900 -0.160 0.000 0.976 489 Y CA -0.654 57.391 58.100 -0.092 0.000 1.190 489 Y CB -0.063 38.392 38.460 -0.009 0.000 1.136 489 Y HN 0.472 nan 8.280 nan 0.000 0.517 490 Y N 8.679 128.764 120.300 -0.359 0.000 2.359 490 Y HA 0.228 4.778 4.550 -0.000 0.000 0.334 490 Y C -1.418 174.149 175.900 -0.554 0.000 1.058 490 Y CA -2.068 55.879 58.100 -0.255 0.000 1.244 490 Y CB 0.734 39.127 38.460 -0.110 0.000 1.187 490 Y HN 0.612 nan 8.280 nan 0.000 0.510 491 P HA -0.090 nan 4.420 nan 0.000 0.221 491 P C -0.563 176.688 177.300 -0.082 0.000 1.150 491 P CA 0.927 63.946 63.100 -0.136 0.000 0.800 491 P CB 0.283 31.948 31.700 -0.058 0.000 0.787 492 V N -4.778 115.128 119.914 -0.014 0.000 2.925 492 V HA 0.398 4.518 4.120 -0.000 0.000 0.311 492 V C 1.149 177.255 176.094 0.020 0.000 1.104 492 V CA -0.933 61.369 62.300 0.003 0.000 0.954 492 V CB 2.026 33.854 31.823 0.008 0.000 1.022 492 V HN -0.255 nan 8.190 nan 0.000 0.427 493 E N 1.102 121.298 120.200 -0.007 0.000 2.171 493 E HA -0.244 4.106 4.350 -0.000 0.000 0.197 493 E C 1.595 178.176 176.600 -0.031 0.000 0.997 493 E CA 2.371 58.755 56.400 -0.028 0.000 0.810 493 E CB 0.216 29.905 29.700 -0.017 0.000 0.738 493 E HN 0.957 nan 8.360 nan 0.000 0.467 494 E N -0.206 119.997 120.200 0.005 0.000 2.204 494 E HA -0.125 4.224 4.350 -0.000 0.000 0.194 494 E C 1.708 178.323 176.600 0.025 0.000 0.989 494 E CA 0.994 57.404 56.400 0.017 0.000 0.824 494 E CB -0.102 29.617 29.700 0.032 0.000 0.756 494 E HN 0.331 nan 8.360 nan 0.000 0.477 495 A N 1.202 124.063 122.820 0.068 0.000 1.854 495 A HA -0.166 4.154 4.320 -0.000 0.000 0.214 495 A C 2.154 179.656 177.584 -0.137 0.000 1.192 495 A CA 1.604 53.724 52.037 0.138 0.000 0.611 495 A CB -0.476 18.783 19.000 0.432 0.000 0.832 495 A HN 0.162 nan 8.150 nan 0.000 0.442 496 R N 0.117 120.369 120.500 -0.414 0.000 2.096 496 R HA -0.226 4.113 4.340 -0.000 0.000 0.240 496 R C 2.238 178.272 176.300 -0.442 0.000 1.139 496 R CA 2.201 57.746 56.100 -0.924 0.000 0.952 496 R CB -0.345 29.558 30.300 -0.662 0.000 0.854 496 R HN 0.510 nan 8.270 nan 0.000 0.436 497 K N -0.150 120.120 120.400 -0.217 0.000 2.063 497 K HA -0.161 4.159 4.320 -0.000 0.000 0.208 497 K C 2.186 178.725 176.600 -0.102 0.000 1.048 497 K CA 1.904 58.116 56.287 -0.125 0.000 0.928 497 K CB -0.242 32.228 32.500 -0.050 0.000 0.713 497 K HN 0.169 nan 8.250 nan 0.000 0.442 498 S N 0.174 115.848 115.700 -0.044 0.000 2.357 498 S HA -0.116 4.354 4.470 -0.000 0.000 0.221 498 S C 1.799 176.420 174.600 0.034 0.000 1.031 498 S CA 1.486 59.736 58.200 0.084 0.000 0.982 498 S CB -0.377 62.896 63.200 0.122 0.000 0.853 498 S HN 0.396 nan 8.310 nan 0.000 0.458 499 N N 0.730 119.398 118.700 -0.054 0.000 2.142 499 N HA 0.031 4.771 4.740 -0.000 0.000 0.186 499 N C 1.736 177.205 175.510 -0.067 0.000 1.023 499 N CA 1.362 54.395 53.050 -0.028 0.000 0.852 499 N CB -0.276 38.224 38.487 0.022 0.000 0.998 499 N HN 0.319 nan 8.380 nan 0.000 0.424 500 M N 0.217 119.732 119.600 -0.142 0.000 2.279 500 M HA -0.046 4.434 4.480 -0.000 0.000 0.264 500 M C 1.655 177.884 176.300 -0.118 0.000 1.062 500 M CA 1.177 56.413 55.300 -0.107 0.000 1.099 500 M CB -0.785 31.741 32.600 -0.123 0.000 1.394 500 M HN 0.185 nan 8.290 nan 0.000 0.426 501 R N -1.112 119.242 120.500 -0.243 0.000 2.127 501 R HA -0.025 4.315 4.340 -0.000 0.000 0.217 501 R C 1.486 177.531 176.300 -0.424 0.000 1.074 501 R CA 0.834 56.681 56.100 -0.422 0.000 0.991 501 R CB 0.075 29.924 30.300 -0.751 0.000 0.895 501 R HN 0.548 nan 8.270 nan 0.000 0.450 502 H N -0.414 118.665 119.070 0.014 0.000 3.255 502 H HA 0.259 4.815 4.556 -0.000 0.000 0.256 502 H C -0.147 174.994 175.328 -0.312 0.000 1.049 502 H CA -0.230 55.735 56.048 -0.138 0.000 1.202 502 H CB 0.597 30.297 29.762 -0.105 0.000 1.497 502 H HN -0.017 nan 8.280 nan 0.000 0.503 503 R N 0.953 121.424 120.500 -0.048 0.000 2.965 503 R HA -0.130 4.210 4.340 -0.000 0.000 0.245 503 R C -2.757 173.490 176.300 -0.089 0.000 0.861 503 R CA -0.069 56.003 56.100 -0.047 0.000 0.614 503 R CB -1.848 28.444 30.300 -0.013 0.000 1.229 503 R HN 0.305 nan 8.270 nan 0.000 0.503 504 P HA 0.316 nan 4.420 nan 0.000 0.281 504 P C 0.335 177.621 177.300 -0.024 0.000 1.249 504 P CA -0.423 62.644 63.100 -0.054 0.000 0.810 504 P CB 0.810 32.485 31.700 -0.042 0.000 1.008 505 I N -2.092 118.471 120.570 -0.011 0.000 3.145 505 I HA 0.934 5.104 4.170 -0.000 0.000 0.313 505 I C -1.329 174.794 176.117 0.011 0.000 1.122 505 I CA -1.724 59.577 61.300 0.001 0.000 0.987 505 I CB 2.477 40.479 38.000 0.005 0.000 1.236 505 I HN 0.261 nan 8.210 nan 0.000 0.453 506 A N 3.707 126.536 122.820 0.015 0.000 2.457 506 A HA 0.725 5.045 4.320 -0.000 0.000 0.283 506 A C -1.156 176.444 177.584 0.026 0.000 1.166 506 A CA -0.342 51.712 52.037 0.027 0.000 0.740 506 A CB 0.700 19.717 19.000 0.028 0.000 1.181 506 A HN 0.584 nan 8.150 nan 0.000 0.446 507 L N 1.896 123.136 121.223 0.028 0.000 2.350 507 L HA 0.761 5.101 4.340 -0.000 0.000 0.275 507 L C 0.945 177.856 176.870 0.067 0.000 1.099 507 L CA 0.738 55.587 54.840 0.014 0.000 0.808 507 L CB 1.728 43.778 42.059 -0.014 0.000 1.149 507 L HN 0.811 nan 8.230 nan 0.000 0.442 508 G N 0.875 109.718 108.800 0.072 0.000 2.766 508 G HA2 0.692 4.652 3.960 -0.000 0.000 0.288 508 G HA3 0.692 4.652 3.960 -0.000 0.000 0.288 508 G C -1.378 173.590 174.900 0.114 0.000 1.408 508 G CA -0.336 44.852 45.100 0.147 0.000 0.852 508 G HN 0.587 nan 8.290 nan 0.000 0.487 509 V N -1.933 118.090 119.914 0.181 0.000 2.994 509 V HA 0.923 5.043 4.120 -0.000 0.000 0.318 509 V C -0.432 175.746 176.094 0.140 0.000 1.085 509 V CA -0.664 61.702 62.300 0.111 0.000 0.998 509 V CB 1.357 33.210 31.823 0.051 0.000 1.063 509 V HN 1.182 nan 8.190 nan 0.000 0.447 510 Q N 1.095 120.940 119.800 0.076 0.000 2.501 510 Q HA 0.638 4.978 4.340 -0.000 0.000 0.288 510 Q C 0.312 176.295 176.000 -0.029 0.000 1.051 510 Q CA -0.431 55.406 55.803 0.058 0.000 0.788 510 Q CB 1.677 30.469 28.738 0.089 0.000 1.469 510 Q HN 2.386 nan 8.270 nan 0.000 0.416 511 G N 1.075 109.865 108.800 -0.015 0.000 2.198 511 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.260 511 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.260 511 G C 0.362 175.158 174.900 -0.175 0.000 1.025 511 G CA 0.474 45.516 45.100 -0.097 0.000 0.769 511 G HN 0.622 nan 8.290 nan 0.000 0.507 512 L N -0.564 120.571 121.223 -0.146 0.000 2.042 512 L HA -0.063 4.277 4.340 -0.000 0.000 0.210 512 L C 3.079 179.664 176.870 -0.475 0.000 1.076 512 L CA 2.686 57.315 54.840 -0.352 0.000 0.749 512 L CB -0.743 41.192 42.059 -0.207 0.000 0.893 512 L HN 0.544 nan 8.230 nan 0.000 0.432 513 A N 0.094 122.856 122.820 -0.097 0.000 1.908 513 A HA -0.290 4.030 4.320 -0.000 0.000 0.218 513 A C 1.683 179.282 177.584 0.024 0.000 1.181 513 A CA 2.272 54.368 52.037 0.099 0.000 0.627 513 A CB -0.733 18.381 19.000 0.191 0.000 0.818 513 A HN 0.560 nan 8.150 nan 0.000 0.445 514 D N -0.993 119.400 120.400 -0.012 0.000 2.178 514 D HA -0.081 4.559 4.640 -0.000 0.000 0.202 514 D C 2.162 178.326 176.300 -0.228 0.000 0.974 514 D CA 1.746 55.705 54.000 -0.068 0.000 0.841 514 D CB -0.454 40.422 40.800 0.127 0.000 0.953 514 D HN 0.610 nan 8.370 nan 0.000 0.478 515 T N -1.139 113.264 114.554 -0.252 0.000 2.857 515 T HA -0.144 4.206 4.350 -0.000 0.000 0.266 515 T C 1.768 176.366 174.700 -0.170 0.000 1.048 515 T CA 0.563 62.515 62.100 -0.245 0.000 1.139 515 T CB -0.467 68.236 68.868 -0.275 0.000 0.874 515 T HN -0.074 nan 8.240 nan 0.000 0.455 516 F N 1.678 121.485 119.950 -0.238 0.000 2.126 516 F HA 0.129 4.656 4.527 -0.000 0.000 0.299 516 F C 2.535 178.197 175.800 -0.229 0.000 1.096 516 F CA 0.635 58.484 58.000 -0.251 0.000 1.255 516 F CB -0.971 37.898 39.000 -0.218 0.000 0.997 516 F HN 0.230 nan 8.300 nan 0.000 0.479 517 M N -1.184 118.391 119.600 -0.042 0.000 2.099 517 M HA -0.173 4.307 4.480 -0.000 0.000 0.262 517 M C 2.134 178.301 176.300 -0.221 0.000 1.067 517 M CA 1.062 56.261 55.300 -0.168 0.000 1.124 517 M CB -0.574 31.914 32.600 -0.186 0.000 1.353 517 M HN 0.032 nan 8.290 nan 0.000 0.410 518 L N 0.217 121.254 121.223 -0.310 0.000 2.079 518 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 518 L C 2.017 178.842 176.870 -0.075 0.000 1.081 518 L CA 1.616 56.339 54.840 -0.195 0.000 0.752 518 L CB -1.255 40.703 42.059 -0.169 0.000 0.896 518 L HN 0.303 nan 8.230 nan 0.000 0.433 519 L N -0.111 121.061 121.223 -0.084 0.000 2.627 519 L HA 0.074 4.414 4.340 -0.000 0.000 0.233 519 L C 0.498 177.346 176.870 -0.037 0.000 1.144 519 L CA 0.210 55.016 54.840 -0.058 0.000 0.892 519 L CB -0.767 41.150 42.059 -0.236 0.000 1.039 519 L HN 0.257 nan 8.230 nan 0.000 0.442 520 R N -0.638 119.827 120.500 -0.060 0.000 3.416 520 R HA -0.184 4.156 4.340 -0.000 0.000 0.263 520 R C -0.680 175.561 176.300 -0.099 0.000 1.053 520 R CA 0.519 56.575 56.100 -0.072 0.000 0.705 520 R CB -3.027 27.262 30.300 -0.018 0.000 1.124 520 R HN 0.272 nan 8.270 nan 0.000 0.444 521 L N 0.475 121.612 121.223 -0.143 0.000 2.305 521 L HA 0.465 4.805 4.340 -0.000 0.000 0.284 521 L C -1.958 174.757 176.870 -0.258 0.000 1.013 521 L CA -2.302 52.406 54.840 -0.220 0.000 0.819 521 L CB 1.845 43.696 42.059 -0.347 0.000 1.227 521 L HN -0.251 nan 8.230 nan 0.000 0.417 522 P HA -0.056 nan 4.420 nan 0.000 0.264 522 P C 0.464 177.635 177.300 -0.215 0.000 1.183 522 P CA 0.001 63.010 63.100 -0.152 0.000 0.763 522 P CB 0.414 32.050 31.700 -0.106 0.000 0.807 523 F N 3.181 123.010 119.950 -0.201 0.000 2.236 523 F HA -0.209 4.318 4.527 -0.000 0.000 0.302 523 F C 1.210 176.874 175.800 -0.227 0.000 1.073 523 F CA 1.854 59.745 58.000 -0.181 0.000 1.336 523 F CB -0.054 38.972 39.000 0.044 0.000 1.040 523 F HN 0.288 nan 8.300 nan 0.000 0.507 524 D N -0.795 119.635 120.400 0.051 0.000 2.525 524 D HA 0.112 4.752 4.640 -0.000 0.000 0.229 524 D C 0.150 176.404 176.300 -0.078 0.000 1.202 524 D CA 0.089 54.102 54.000 0.022 0.000 0.828 524 D CB -0.945 39.904 40.800 0.082 0.000 1.008 524 D HN 0.180 nan 8.370 nan 0.000 0.493 525 S N -1.073 114.515 115.700 -0.187 0.000 2.610 525 S HA 0.237 4.707 4.470 -0.000 0.000 0.273 525 S C 1.108 175.605 174.600 -0.173 0.000 1.274 525 S CA -0.669 57.432 58.200 -0.166 0.000 1.023 525 S CB 2.517 65.606 63.200 -0.185 0.000 0.962 525 S HN 0.023 nan 8.310 nan 0.000 0.523 526 E N 0.653 120.791 120.200 -0.104 0.000 2.130 526 E HA -0.198 4.152 4.350 -0.000 0.000 0.196 526 E C 1.612 178.151 176.600 -0.102 0.000 0.998 526 E CA 1.507 57.858 56.400 -0.081 0.000 0.806 526 E CB 0.010 29.685 29.700 -0.041 0.000 0.738 526 E HN 0.680 nan 8.360 nan 0.000 0.459 527 E N -0.211 119.924 120.200 -0.109 0.000 2.047 527 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 527 E C 1.974 178.452 176.600 -0.202 0.000 0.987 527 E CA 1.073 57.423 56.400 -0.085 0.000 0.799 527 E CB -0.434 29.262 29.700 -0.008 0.000 0.752 527 E HN 0.338 nan 8.360 nan 0.000 0.449 528 A N 1.412 123.973 122.820 -0.431 0.000 1.908 528 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 528 A C 2.226 179.568 177.584 -0.404 0.000 1.181 528 A CA 1.758 53.308 52.037 -0.811 0.000 0.627 528 A CB -0.546 17.525 19.000 -1.547 0.000 0.818 528 A HN 0.144 nan 8.150 nan 0.000 0.445 529 R N -0.648 119.692 120.500 -0.268 0.000 2.103 529 R HA -0.133 4.207 4.340 -0.000 0.000 0.242 529 R C 2.083 178.319 176.300 -0.107 0.000 1.142 529 R CA 1.737 57.754 56.100 -0.139 0.000 0.960 529 R CB -0.349 29.894 30.300 -0.096 0.000 0.858 529 R HN 0.578 nan 8.270 nan 0.000 0.439 530 L N 0.358 121.508 121.223 -0.121 0.000 2.049 530 L HA -0.160 4.180 4.340 -0.000 0.000 0.203 530 L C 2.380 179.172 176.870 -0.131 0.000 1.074 530 L CA 0.785 55.531 54.840 -0.156 0.000 0.749 530 L CB -0.351 41.638 42.059 -0.117 0.000 0.907 530 L HN 0.277 nan 8.230 nan 0.000 0.439 531 L N 0.823 122.023 121.223 -0.038 0.000 2.043 531 L HA -0.303 4.037 4.340 -0.000 0.000 0.212 531 L C 2.109 178.999 176.870 0.033 0.000 1.075 531 L CA 2.134 56.992 54.840 0.029 0.000 0.752 531 L CB -0.927 41.138 42.059 0.011 0.000 0.891 531 L HN 0.350 nan 8.230 nan 0.000 0.432 532 N N -0.124 118.624 118.700 0.081 0.000 2.025 532 N HA -0.239 4.501 4.740 -0.000 0.000 0.194 532 N C 1.852 177.461 175.510 0.164 0.000 1.044 532 N CA 2.426 55.568 53.050 0.154 0.000 0.851 532 N CB -0.374 38.196 38.487 0.138 0.000 1.036 532 N HN 0.496 nan 8.380 nan 0.000 0.422 533 I N 0.195 120.776 120.570 0.020 0.000 2.208 533 I HA -0.325 3.845 4.170 -0.000 0.000 0.245 533 I C 2.383 178.423 176.117 -0.128 0.000 1.097 533 I CA 1.295 62.582 61.300 -0.023 0.000 1.363 533 I CB -0.370 37.531 38.000 -0.165 0.000 1.051 533 I HN 0.377 nan 8.210 nan 0.000 0.413 534 Q N 0.558 120.242 119.800 -0.192 0.000 2.016 534 Q HA -0.172 4.168 4.340 -0.000 0.000 0.200 534 Q C 2.402 178.399 176.000 -0.005 0.000 0.978 534 Q CA 1.568 57.243 55.803 -0.213 0.000 0.833 534 Q CB -0.110 28.433 28.738 -0.325 0.000 0.895 534 Q HN 0.491 nan 8.270 nan 0.000 0.427 535 I N 0.002 120.636 120.570 0.106 0.000 2.194 535 I HA -0.309 3.861 4.170 -0.000 0.000 0.246 535 I C 1.860 177.857 176.117 -0.199 0.000 1.093 535 I CA 1.434 62.738 61.300 0.007 0.000 1.355 535 I CB -0.249 37.616 38.000 -0.225 0.000 1.046 535 I HN 0.167 nan 8.210 nan 0.000 0.413 536 F N 0.508 120.424 119.950 -0.056 0.000 2.234 536 F HA -0.136 4.391 4.527 -0.000 0.000 0.296 536 F C 2.609 178.314 175.800 -0.158 0.000 1.089 536 F CA 1.253 59.212 58.000 -0.069 0.000 1.343 536 F CB -0.454 38.523 39.000 -0.040 0.000 1.040 536 F HN 0.051 nan 8.300 nan 0.000 0.498 537 E N 0.036 120.018 120.200 -0.363 0.000 2.085 537 E HA -0.272 4.077 4.350 -0.000 0.000 0.194 537 E C 2.293 178.965 176.600 0.119 0.000 0.994 537 E CA 1.930 58.049 56.400 -0.469 0.000 0.801 537 E CB -0.171 29.248 29.700 -0.468 0.000 0.743 537 E HN 0.405 nan 8.360 nan 0.000 0.453 538 T N -0.449 114.183 114.554 0.130 0.000 2.857 538 T HA -0.084 4.266 4.350 -0.000 0.000 0.266 538 T C 2.025 176.649 174.700 -0.128 0.000 1.048 538 T CA 1.190 63.320 62.100 0.051 0.000 1.139 538 T CB -0.350 68.800 68.868 0.470 0.000 0.874 538 T HN 0.190 nan 8.240 nan 0.000 0.455 539 I N -0.385 120.143 120.570 -0.069 0.000 2.226 539 I HA -0.094 4.076 4.170 -0.000 0.000 0.245 539 I C 2.400 178.546 176.117 0.049 0.000 1.100 539 I CA 1.848 63.089 61.300 -0.099 0.000 1.374 539 I CB -0.569 37.357 38.000 -0.122 0.000 1.057 539 I HN 0.336 nan 8.210 nan 0.000 0.413 540 Y N 0.886 121.236 120.300 0.084 0.000 2.200 540 Y HA -0.329 4.221 4.550 -0.000 0.000 0.290 540 Y C 2.986 179.015 175.900 0.216 0.000 1.137 540 Y CA 1.717 59.957 58.100 0.233 0.000 1.163 540 Y CB -0.219 38.520 38.460 0.465 0.000 0.988 540 Y HN 0.184 nan 8.280 nan 0.000 0.518 541 H N 0.207 119.264 119.070 -0.022 0.000 2.321 541 H HA -0.172 4.384 4.556 -0.000 0.000 0.300 541 H C 2.170 177.178 175.328 -0.533 0.000 1.087 541 H CA 1.497 57.247 56.048 -0.498 0.000 1.319 541 H CB -0.157 29.109 29.762 -0.826 0.000 1.379 541 H HN 0.520 nan 8.280 nan 0.000 0.501 542 A N 0.673 123.121 122.820 -0.620 0.000 1.883 542 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 542 A C 2.821 180.098 177.584 -0.512 0.000 1.186 542 A CA 2.559 54.032 52.037 -0.939 0.000 0.624 542 A CB -0.962 17.362 19.000 -1.127 0.000 0.822 542 A HN 0.675 nan 8.150 nan 0.000 0.444 543 S N -1.094 114.420 115.700 -0.310 0.000 2.383 543 S HA -0.151 4.319 4.470 -0.000 0.000 0.227 543 S C 1.927 176.428 174.600 -0.166 0.000 1.026 543 S CA 1.698 59.792 58.200 -0.177 0.000 0.981 543 S CB -0.442 62.734 63.200 -0.040 0.000 0.818 543 S HN 0.323 nan 8.310 nan 0.000 0.472 544 M N 1.772 121.236 119.600 -0.226 0.000 2.117 544 M HA 0.023 4.503 4.480 -0.000 0.000 0.262 544 M C 2.353 178.504 176.300 -0.249 0.000 1.065 544 M CA 1.693 56.860 55.300 -0.222 0.000 1.114 544 M CB -1.372 31.044 32.600 -0.306 0.000 1.361 544 M HN 0.632 nan 8.290 nan 0.000 0.408 545 E N 0.014 119.990 120.200 -0.373 0.000 2.047 545 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 545 E C 1.997 178.476 176.600 -0.201 0.000 0.987 545 E CA 1.237 57.450 56.400 -0.312 0.000 0.799 545 E CB 0.041 29.523 29.700 -0.364 0.000 0.752 545 E HN 0.395 nan 8.360 nan 0.000 0.449 546 A N 0.457 123.153 122.820 -0.207 0.000 1.940 546 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 546 A C 2.340 179.859 177.584 -0.108 0.000 1.176 546 A CA 1.851 53.800 52.037 -0.148 0.000 0.631 546 A CB -0.818 18.088 19.000 -0.157 0.000 0.814 546 A HN 0.335 nan 8.150 nan 0.000 0.446 547 S N -1.557 114.082 115.700 -0.102 0.000 2.383 547 S HA -0.180 4.290 4.470 -0.000 0.000 0.227 547 S C 2.026 176.585 174.600 -0.069 0.000 1.026 547 S CA 1.393 59.557 58.200 -0.060 0.000 0.981 547 S CB -0.773 62.411 63.200 -0.026 0.000 0.818 547 S HN 0.739 nan 8.310 nan 0.000 0.472 548 C N 1.541 120.786 119.300 -0.091 0.000 2.466 548 C HA 0.069 4.529 4.460 -0.000 0.000 0.278 548 C C 2.380 177.303 174.990 -0.112 0.000 1.288 548 C CA 1.111 60.072 59.018 -0.095 0.000 1.722 548 C CB -1.499 26.189 27.740 -0.086 0.000 2.017 548 C HN 0.685 nan 8.230 nan 0.000 0.488 549 E N 0.442 120.573 120.200 -0.115 0.000 2.097 549 E HA -0.237 4.113 4.350 -0.000 0.000 0.196 549 E C 2.000 178.545 176.600 -0.093 0.000 1.000 549 E CA 1.578 57.909 56.400 -0.115 0.000 0.804 549 E CB -0.258 29.383 29.700 -0.097 0.000 0.740 549 E HN 0.662 nan 8.360 nan 0.000 0.454 550 L N 0.276 121.455 121.223 -0.072 0.000 2.141 550 L HA -0.138 4.201 4.340 -0.000 0.000 0.209 550 L C 2.434 179.273 176.870 -0.053 0.000 1.094 550 L CA 0.855 55.666 54.840 -0.049 0.000 0.763 550 L CB -0.290 41.751 42.059 -0.030 0.000 0.908 550 L HN 0.143 nan 8.230 nan 0.000 0.437 551 A N -0.779 121.996 122.820 -0.074 0.000 2.014 551 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 551 A C 2.193 179.733 177.584 -0.073 0.000 1.163 551 A CA 1.074 53.058 52.037 -0.089 0.000 0.652 551 A CB -0.269 18.638 19.000 -0.155 0.000 0.808 551 A HN 0.460 nan 8.150 nan 0.000 0.449 552 Q N -0.857 118.886 119.800 -0.094 0.000 2.311 552 Q HA -0.089 4.251 4.340 -0.000 0.000 0.203 552 Q C 2.014 177.974 176.000 -0.067 0.000 0.954 552 Q CA 1.459 57.198 55.803 -0.107 0.000 0.885 552 Q CB -0.008 28.592 28.738 -0.230 0.000 0.963 552 Q HN 0.755 nan 8.270 nan 0.000 0.471 553 K N 0.283 120.650 120.400 -0.056 0.000 2.078 553 K HA -0.064 4.256 4.320 -0.000 0.000 0.203 553 K C 0.642 177.230 176.600 -0.021 0.000 1.043 553 K CA 1.260 57.526 56.287 -0.034 0.000 0.960 553 K CB 0.523 33.006 32.500 -0.029 0.000 0.761 553 K HN -0.036 nan 8.250 nan 0.000 0.448 554 D N 0.061 120.448 120.400 -0.020 0.000 2.431 554 D HA 0.194 4.833 4.640 -0.000 0.000 0.213 554 D C -0.066 176.226 176.300 -0.014 0.000 1.130 554 D CA 0.681 54.676 54.000 -0.009 0.000 0.834 554 D CB 1.017 41.817 40.800 0.001 0.000 0.985 554 D HN 0.471 nan 8.370 nan 0.000 0.504 555 G N 2.202 110.985 108.800 -0.029 0.000 2.733 555 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.686 555 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.686 555 G C -2.795 172.056 174.900 -0.080 0.000 1.373 555 G CA -1.188 43.885 45.100 -0.046 0.000 0.838 555 G HN -0.078 nan 8.290 nan 0.000 0.588 556 P HA 0.324 nan 4.420 nan 0.000 0.271 556 P C 0.259 177.491 177.300 -0.113 0.000 1.238 556 P CA 0.049 62.975 63.100 -0.290 0.000 0.794 556 P CB 0.097 31.530 31.700 -0.444 0.000 0.959 557 Y N -1.245 119.048 120.300 -0.011 0.000 2.357 557 Y HA 0.180 4.730 4.550 -0.000 0.000 0.340 557 Y C 1.791 177.737 175.900 0.077 0.000 1.260 557 Y CA -0.520 57.604 58.100 0.040 0.000 1.425 557 Y CB -0.189 38.312 38.460 0.068 0.000 1.326 557 Y HN 0.307 nan 8.280 nan 0.000 0.580 558 E N 0.706 121.011 120.200 0.174 0.000 2.187 558 E HA -0.175 4.175 4.350 -0.000 0.000 0.199 558 E C 1.175 177.822 176.600 0.078 0.000 1.004 558 E CA 1.845 58.289 56.400 0.073 0.000 0.813 558 E CB -0.230 29.483 29.700 0.022 0.000 0.736 558 E HN 0.917 nan 8.360 nan 0.000 0.468 559 T N -0.236 114.449 114.554 0.219 0.000 3.092 559 T HA 0.091 4.440 4.350 -0.000 0.000 0.258 559 T C 0.907 175.666 174.700 0.098 0.000 1.031 559 T CA -0.349 61.910 62.100 0.264 0.000 0.925 559 T CB -0.153 69.056 68.868 0.570 0.000 1.036 559 T HN 0.162 nan 8.240 nan 0.000 0.544 560 F N 2.227 121.838 119.950 -0.565 0.000 2.102 560 F HA 0.024 4.551 4.527 -0.000 0.000 0.298 560 F C 0.771 176.424 175.800 -0.244 0.000 1.105 560 F CA 0.614 58.168 58.000 -0.742 0.000 1.239 560 F CB 0.035 38.448 39.000 -0.978 0.000 0.991 560 F HN 0.067 nan 8.300 nan 0.000 0.474 561 Q N 0.681 120.300 119.800 -0.301 0.000 2.300 561 Q HA 0.340 4.680 4.340 -0.000 0.000 0.280 561 Q C 0.954 176.793 176.000 -0.268 0.000 1.033 561 Q CA 1.036 56.654 55.803 -0.308 0.000 0.903 561 Q CB 0.362 29.043 28.738 -0.094 0.000 1.195 561 Q HN 0.558 nan 8.270 nan 0.000 0.386 562 G N 1.261 109.889 108.800 -0.287 0.000 2.241 562 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.244 562 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.244 562 G C 0.357 175.148 174.900 -0.182 0.000 0.998 562 G CA 0.240 45.229 45.100 -0.185 0.000 0.621 562 G HN 0.981 nan 8.290 nan 0.000 0.519 563 S N 1.113 116.664 115.700 -0.248 0.000 2.576 563 S HA 0.471 4.941 4.470 -0.000 0.000 0.272 563 S C -0.614 173.894 174.600 -0.152 0.000 1.352 563 S CA -0.064 58.043 58.200 -0.155 0.000 1.021 563 S CB 1.625 64.761 63.200 -0.107 0.000 0.887 563 S HN 0.071 nan 8.310 nan 0.000 0.542 564 P HA -0.109 nan 4.420 nan 0.000 0.216 564 P C 1.623 178.900 177.300 -0.038 0.000 1.153 564 P CA 2.091 65.162 63.100 -0.049 0.000 0.858 564 P CB -0.269 31.419 31.700 -0.020 0.000 0.789 565 A N 0.028 122.852 122.820 0.008 0.000 1.933 565 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 565 A C 2.408 180.018 177.584 0.043 0.000 1.175 565 A CA 2.302 54.397 52.037 0.097 0.000 0.628 565 A CB -1.716 17.448 19.000 0.274 0.000 0.814 565 A HN 0.340 nan 8.150 nan 0.000 0.444 566 S N -0.510 115.019 115.700 -0.286 0.000 2.419 566 S HA -0.235 4.235 4.470 -0.000 0.000 0.235 566 S C 1.627 176.149 174.600 -0.130 0.000 1.019 566 S CA 1.604 59.543 58.200 -0.434 0.000 0.982 566 S CB -0.442 62.186 63.200 -0.953 0.000 0.789 566 S HN 0.678 nan 8.310 nan 0.000 0.490 567 Q N 0.334 120.071 119.800 -0.104 0.000 2.320 567 Q HA 0.368 4.707 4.340 -0.000 0.000 0.201 567 Q C 1.258 177.254 176.000 -0.006 0.000 0.910 567 Q CA 0.265 56.038 55.803 -0.050 0.000 0.946 567 Q CB 0.218 28.922 28.738 -0.057 0.000 1.062 567 Q HN 0.788 nan 8.270 nan 0.000 0.503 568 G N 1.079 109.892 108.800 0.023 0.000 2.179 568 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.260 568 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.260 568 G C 0.097 175.008 174.900 0.018 0.000 0.977 568 G CA -0.231 44.898 45.100 0.048 0.000 0.641 568 G HN 0.342 nan 8.290 nan 0.000 0.533 569 I N 1.798 122.362 120.570 -0.010 0.000 2.363 569 I HA 0.393 4.563 4.170 -0.000 0.000 0.292 569 I C 1.012 177.083 176.117 -0.076 0.000 1.075 569 I CA -0.369 60.899 61.300 -0.052 0.000 1.333 569 I CB 0.562 38.535 38.000 -0.045 0.000 1.415 569 I HN 0.035 nan 8.210 nan 0.000 0.502 570 L N 4.976 126.070 121.223 -0.216 0.000 2.376 570 L HA 0.301 4.641 4.340 -0.000 0.000 0.267 570 L C 1.326 177.984 176.870 -0.353 0.000 1.035 570 L CA -0.662 54.012 54.840 -0.276 0.000 0.800 570 L CB 0.762 42.500 42.059 -0.535 0.000 1.290 570 L HN 0.451 nan 8.230 nan 0.000 0.462 571 Q N 0.932 120.628 119.800 -0.174 0.000 2.014 571 Q HA -0.234 4.106 4.340 -0.000 0.000 0.207 571 Q C 1.754 177.712 176.000 -0.070 0.000 0.993 571 Q CA 2.498 58.244 55.803 -0.094 0.000 0.850 571 Q CB -0.447 28.184 28.738 -0.178 0.000 0.916 571 Q HN 0.575 nan 8.270 nan 0.000 0.417 572 F N -0.385 119.512 119.950 -0.089 0.000 2.236 572 F HA -0.121 4.405 4.527 -0.000 0.000 0.302 572 F C 1.457 177.252 175.800 -0.009 0.000 1.073 572 F CA 1.251 59.151 58.000 -0.166 0.000 1.336 572 F CB -0.808 37.959 39.000 -0.389 0.000 1.040 572 F HN 0.041 nan 8.300 nan 0.000 0.507 573 D N 1.355 121.596 120.400 -0.265 0.000 2.144 573 D HA -0.149 4.491 4.640 -0.000 0.000 0.199 573 D C 2.234 178.531 176.300 -0.005 0.000 0.984 573 D CA 1.724 55.677 54.000 -0.078 0.000 0.834 573 D CB -0.362 40.347 40.800 -0.153 0.000 0.955 573 D HN 0.451 nan 8.370 nan 0.000 0.465 574 M N -1.363 118.236 119.600 -0.002 0.000 2.394 574 M HA -0.059 4.421 4.480 -0.000 0.000 0.264 574 M C 1.209 177.476 176.300 -0.056 0.000 1.073 574 M CA 0.798 56.078 55.300 -0.033 0.000 1.111 574 M CB -0.234 32.324 32.600 -0.070 0.000 1.401 574 M HN 0.041 nan 8.290 nan 0.000 0.448 575 W N 0.954 122.192 121.300 -0.103 0.000 3.290 575 W HA 0.112 4.772 4.660 -0.000 0.000 0.287 575 W C -0.008 176.465 176.519 -0.076 0.000 1.288 575 W CA -0.302 56.982 57.345 -0.100 0.000 1.725 575 W CB -0.248 29.139 29.460 -0.122 0.000 1.103 575 W HN 0.249 nan 8.180 nan 0.000 0.670 576 D N 1.126 121.602 120.400 0.127 0.000 2.686 576 D HA -0.199 4.441 4.640 -0.000 0.000 0.235 576 D C -0.040 176.316 176.300 0.093 0.000 1.160 576 D CA 0.975 55.024 54.000 0.081 0.000 0.645 576 D CB -0.903 39.915 40.800 0.030 0.000 1.039 576 D HN 0.255 nan 8.370 nan 0.000 0.423 577 Q N 0.282 120.156 119.800 0.124 0.000 2.331 577 Q HA 0.284 4.624 4.340 -0.000 0.000 0.267 577 Q C -0.011 176.027 176.000 0.064 0.000 1.006 577 Q CA -0.855 54.985 55.803 0.063 0.000 0.818 577 Q CB 1.963 30.698 28.738 -0.004 0.000 1.276 577 Q HN -0.057 nan 8.270 nan 0.000 0.450 578 K N 4.031 124.441 120.400 0.016 0.000 2.448 578 K HA 0.189 4.509 4.320 -0.000 0.000 0.278 578 K C -2.181 174.320 176.600 -0.166 0.000 1.009 578 K CA -1.045 55.227 56.287 -0.025 0.000 0.995 578 K CB 0.141 32.635 32.500 -0.011 0.000 0.917 578 K HN 0.327 nan 8.250 nan 0.000 0.481 579 P HA -0.052 nan 4.420 nan 0.000 0.272 579 P C 0.160 177.408 177.300 -0.087 0.000 1.230 579 P CA -0.080 62.651 63.100 -0.614 0.000 0.788 579 P CB 0.420 31.316 31.700 -1.339 0.000 0.949 580 Y N 1.638 121.941 120.300 0.004 0.000 2.181 580 Y HA -0.073 4.477 4.550 -0.000 0.000 0.288 580 Y C 1.742 177.634 175.900 -0.012 0.000 1.146 580 Y CA 2.376 60.481 58.100 0.009 0.000 1.164 580 Y CB -0.438 38.031 38.460 0.014 0.000 0.982 580 Y HN 0.652 nan 8.280 nan 0.000 0.515 581 G N -0.482 108.274 108.800 -0.072 0.000 2.192 581 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.193 581 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.193 581 G C 0.920 175.666 174.900 -0.255 0.000 0.999 581 G CA 0.263 45.282 45.100 -0.134 0.000 0.659 581 G HN 0.444 nan 8.290 nan 0.000 0.503 582 M N -0.722 118.715 119.600 -0.271 0.000 2.279 582 M HA 0.214 4.694 4.480 -0.000 0.000 0.264 582 M C 0.713 176.488 176.300 -0.874 0.000 1.062 582 M CA 1.405 56.377 55.300 -0.547 0.000 1.099 582 M CB -0.021 32.272 32.600 -0.512 0.000 1.394 582 M HN 0.352 nan 8.290 nan 0.000 0.426 583 W N -0.715 120.359 121.300 -0.376 0.000 2.762 583 W HA 0.317 4.977 4.660 -0.000 0.000 0.355 583 W C -0.559 175.582 176.519 -0.629 0.000 1.124 583 W CA -0.825 56.077 57.345 -0.738 0.000 1.141 583 W CB 0.357 28.904 29.460 -1.521 0.000 1.432 583 W HN -0.187 nan 8.180 nan 0.000 0.586 584 D N 0.693 120.921 120.400 -0.287 0.000 2.453 584 D HA 0.095 4.734 4.640 -0.000 0.000 0.223 584 D C 0.063 176.390 176.300 0.044 0.000 1.183 584 D CA -0.263 53.702 54.000 -0.058 0.000 0.933 584 D CB 0.153 40.957 40.800 0.007 0.000 1.038 584 D HN 0.357 nan 8.370 nan 0.000 0.513 585 W N 1.874 123.306 121.300 0.220 0.000 2.476 585 W HA -0.010 4.650 4.660 -0.000 0.000 0.281 585 W C 1.785 178.436 176.519 0.220 0.000 1.230 585 W CA -0.157 57.365 57.345 0.295 0.000 1.287 585 W CB 0.281 29.951 29.460 0.349 0.000 1.108 585 W HN 0.300 nan 8.180 nan 0.000 0.567 586 D N -0.396 120.210 120.400 0.344 0.000 2.117 586 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 586 D C 2.035 178.445 176.300 0.182 0.000 0.987 586 D CA 1.869 56.008 54.000 0.233 0.000 0.829 586 D CB -0.809 40.088 40.800 0.161 0.000 0.961 586 D HN 0.032 nan 8.370 nan 0.000 0.460 587 T N 1.135 115.782 114.554 0.155 0.000 2.701 587 T HA -0.118 4.232 4.350 -0.000 0.000 0.263 587 T C 1.907 176.677 174.700 0.116 0.000 1.040 587 T CA 0.480 62.649 62.100 0.115 0.000 1.147 587 T CB -0.384 68.537 68.868 0.089 0.000 0.865 587 T HN 0.003 nan 8.240 nan 0.000 0.426 588 L N 1.545 122.842 121.223 0.123 0.000 1.990 588 L HA -0.069 4.271 4.340 -0.000 0.000 0.213 588 L C 2.533 179.482 176.870 0.133 0.000 1.072 588 L CA 1.871 56.752 54.840 0.069 0.000 0.755 588 L CB -0.649 41.383 42.059 -0.045 0.000 0.889 588 L HN 0.117 nan 8.230 nan 0.000 0.432 589 R N -0.583 120.050 120.500 0.222 0.000 2.094 589 R HA -0.213 4.127 4.340 -0.000 0.000 0.239 589 R C 2.249 178.635 176.300 0.144 0.000 1.137 589 R CA 1.854 58.077 56.100 0.204 0.000 0.943 589 R CB -0.141 30.300 30.300 0.234 0.000 0.850 589 R HN 0.304 nan 8.270 nan 0.000 0.433 590 K N 0.477 120.954 120.400 0.127 0.000 2.063 590 K HA -0.151 4.169 4.320 -0.000 0.000 0.208 590 K C 1.731 178.386 176.600 0.091 0.000 1.048 590 K CA 1.482 57.826 56.287 0.095 0.000 0.928 590 K CB -0.431 32.119 32.500 0.083 0.000 0.713 590 K HN 0.323 nan 8.250 nan 0.000 0.442 591 D N 0.847 121.313 120.400 0.111 0.000 2.178 591 D HA -0.089 4.551 4.640 -0.000 0.000 0.201 591 D C 1.923 178.313 176.300 0.150 0.000 0.980 591 D CA 0.622 54.715 54.000 0.154 0.000 0.842 591 D CB 0.021 40.894 40.800 0.122 0.000 0.948 591 D HN 0.088 nan 8.370 nan 0.000 0.472 592 I N 0.473 121.113 120.570 0.116 0.000 2.233 592 I HA -0.156 4.014 4.170 -0.000 0.000 0.243 592 I C 2.405 178.623 176.117 0.169 0.000 1.093 592 I CA 0.742 62.115 61.300 0.122 0.000 1.380 592 I CB -0.777 37.317 38.000 0.156 0.000 1.067 592 I HN 0.066 nan 8.210 nan 0.000 0.413 593 M N 0.266 119.956 119.600 0.151 0.000 2.202 593 M HA -0.227 4.253 4.480 -0.000 0.000 0.262 593 M C 2.292 178.648 176.300 0.094 0.000 1.063 593 M CA 1.685 57.073 55.300 0.146 0.000 1.097 593 M CB -0.391 32.260 32.600 0.086 0.000 1.382 593 M HN 0.209 nan 8.290 nan 0.000 0.413 594 K N -0.312 120.087 120.400 -0.001 0.000 2.078 594 K HA -0.078 4.242 4.320 -0.000 0.000 0.203 594 K C 1.464 177.903 176.600 -0.269 0.000 1.043 594 K CA 1.137 57.318 56.287 -0.176 0.000 0.960 594 K CB 0.125 32.440 32.500 -0.309 0.000 0.761 594 K HN 0.345 nan 8.250 nan 0.000 0.448 595 H N -0.829 118.228 119.070 -0.022 0.000 2.520 595 H HA 0.259 4.815 4.556 -0.000 0.000 0.279 595 H C 0.677 175.873 175.328 -0.221 0.000 0.990 595 H CA 0.418 56.415 56.048 -0.085 0.000 1.288 595 H CB 0.846 30.561 29.762 -0.079 0.000 1.446 595 H HN 0.517 nan 8.280 nan 0.000 0.538 596 G N 0.281 108.960 108.800 -0.201 0.000 2.757 596 G HA2 -0.121 3.838 3.960 -0.000 0.000 0.638 596 G HA3 -0.121 3.838 3.960 -0.000 0.000 0.638 596 G C -0.481 174.094 174.900 -0.543 0.000 1.344 596 G CA -0.422 44.156 45.100 -0.870 0.000 0.855 596 G HN 0.619 nan 8.290 nan 0.000 0.537 597 V N -3.151 116.370 119.914 -0.655 0.000 2.960 597 V HA 0.895 5.015 4.120 -0.000 0.000 0.315 597 V C 1.275 177.334 176.094 -0.059 0.000 1.087 597 V CA -0.104 62.089 62.300 -0.178 0.000 0.982 597 V CB 1.834 33.688 31.823 0.052 0.000 1.039 597 V HN 1.126 nan 8.190 nan 0.000 0.437 598 R N 0.937 121.463 120.500 0.043 0.000 2.240 598 R HA 0.252 4.592 4.340 -0.000 0.000 0.203 598 R C 0.119 176.555 176.300 0.228 0.000 1.011 598 R CA 0.768 56.942 56.100 0.123 0.000 1.007 598 R CB -0.321 30.003 30.300 0.040 0.000 0.911 598 R HN 0.945 nan 8.270 nan 0.000 0.468 599 N N -1.293 117.509 118.700 0.170 0.000 2.314 599 N HA 0.099 4.839 4.740 -0.000 0.000 0.294 599 N C -0.035 175.403 175.510 -0.119 0.000 1.029 599 N CA -0.136 52.903 53.050 -0.018 0.000 0.845 599 N CB 2.154 40.642 38.487 0.002 0.000 1.321 599 N HN -0.028 nan 8.380 nan 0.000 0.481 600 S N 1.493 116.857 115.700 -0.559 0.000 2.428 600 S HA 0.100 4.570 4.470 -0.000 0.000 0.230 600 S C 0.361 174.931 174.600 -0.050 0.000 1.014 600 S CA 0.521 58.459 58.200 -0.436 0.000 0.957 600 S CB -0.206 62.619 63.200 -0.625 0.000 0.784 600 S HN 0.438 nan 8.310 nan 0.000 0.499 601 L N 0.452 121.648 121.223 -0.044 0.000 2.434 601 L HA 0.485 4.825 4.340 -0.000 0.000 0.260 601 L C 0.428 177.328 176.870 0.051 0.000 0.983 601 L CA -0.237 54.626 54.840 0.038 0.000 0.820 601 L CB 2.437 44.503 42.059 0.012 0.000 1.361 601 L HN 0.180 nan 8.230 nan 0.000 0.410 602 T N -2.980 111.639 114.554 0.108 0.000 2.969 602 T HA 0.367 4.717 4.350 -0.000 0.000 0.258 602 T C 0.336 175.093 174.700 0.096 0.000 0.962 602 T CA -0.148 62.010 62.100 0.097 0.000 0.903 602 T CB 0.490 69.433 68.868 0.125 0.000 1.177 602 T HN 0.216 nan 8.240 nan 0.000 0.511 603 M N 2.139 121.798 119.600 0.098 0.000 2.181 603 M HA 0.754 5.233 4.480 -0.000 0.000 0.323 603 M C -0.983 175.348 176.300 0.051 0.000 1.004 603 M CA -0.701 54.646 55.300 0.079 0.000 0.941 603 M CB 1.197 33.828 32.600 0.052 0.000 1.579 603 M HN 0.310 nan 8.290 nan 0.000 0.427 604 A N 5.188 128.050 122.820 0.069 0.000 2.893 604 A HA 0.609 4.929 4.320 -0.000 0.000 0.298 604 A C -2.790 174.867 177.584 0.122 0.000 1.227 604 A CA -1.007 51.075 52.037 0.076 0.000 0.845 604 A CB 0.374 19.406 19.000 0.054 0.000 1.430 604 A HN 0.444 nan 8.150 nan 0.000 0.493 605 P HA 0.214 nan 4.420 nan 0.000 0.266 605 P C 0.269 177.786 177.300 0.362 0.000 1.215 605 P CA 0.331 63.606 63.100 0.292 0.000 0.763 605 P CB 0.470 32.358 31.700 0.313 0.000 0.806 606 M N 4.496 124.253 119.600 0.262 0.000 2.649 606 M HA 0.689 5.169 4.480 -0.000 0.000 0.294 606 M C -2.829 173.545 176.300 0.123 0.000 1.206 606 M CA -2.867 52.527 55.300 0.157 0.000 0.928 606 M CB 0.127 32.782 32.600 0.091 0.000 1.571 606 M HN -0.048 nan 8.290 nan 0.000 0.501 607 P HA 0.211 nan 4.420 nan 0.000 0.272 607 P C -0.220 177.107 177.300 0.046 0.000 1.223 607 P CA 0.135 63.255 63.100 0.033 0.000 0.784 607 P CB 0.052 31.818 31.700 0.109 0.000 0.923 608 T N -2.517 112.053 114.554 0.027 0.000 3.393 608 T HA 0.470 4.820 4.350 -0.000 0.000 0.255 608 T C 1.276 176.000 174.700 0.040 0.000 1.008 608 T CA -0.172 61.955 62.100 0.045 0.000 1.053 608 T CB -0.319 68.579 68.868 0.050 0.000 1.120 608 T HN 0.320 nan 8.240 nan 0.000 0.538 609 A N 1.559 124.409 122.820 0.051 0.000 1.917 609 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 609 A C 2.526 180.137 177.584 0.046 0.000 1.182 609 A CA 2.124 54.188 52.037 0.045 0.000 0.633 609 A CB -0.877 18.161 19.000 0.064 0.000 0.819 609 A HN 0.611 nan 8.150 nan 0.000 0.448 610 S N -1.645 114.094 115.700 0.064 0.000 2.460 610 S HA -0.072 4.398 4.470 -0.000 0.000 0.226 610 S C 2.157 176.762 174.600 0.008 0.000 1.057 610 S CA 1.532 59.777 58.200 0.075 0.000 0.948 610 S CB -0.551 62.742 63.200 0.155 0.000 0.822 610 S HN 0.788 nan 8.310 nan 0.000 0.512 611 T N 0.499 115.046 114.554 -0.012 0.000 2.904 611 T HA -0.049 4.301 4.350 -0.000 0.000 0.267 611 T C 2.072 176.760 174.700 -0.020 0.000 1.059 611 T CA 1.549 63.613 62.100 -0.061 0.000 1.137 611 T CB -0.804 68.042 68.868 -0.037 0.000 0.879 611 T HN 0.469 nan 8.240 nan 0.000 0.467 612 S N 1.416 117.128 115.700 0.019 0.000 2.402 612 S HA -0.121 4.349 4.470 -0.000 0.000 0.229 612 S C 2.233 176.828 174.600 -0.008 0.000 1.021 612 S CA 0.601 58.829 58.200 0.047 0.000 0.974 612 S CB -0.670 62.572 63.200 0.068 0.000 0.800 612 S HN 0.545 nan 8.310 nan 0.000 0.484 613 Q N 0.694 120.481 119.800 -0.022 0.000 2.096 613 Q HA -0.056 4.284 4.340 -0.000 0.000 0.204 613 Q C 2.157 178.133 176.000 -0.040 0.000 0.982 613 Q CA 1.818 57.599 55.803 -0.036 0.000 0.850 613 Q CB -0.404 28.326 28.738 -0.012 0.000 0.901 613 Q HN 0.639 nan 8.270 nan 0.000 0.422 614 I N 0.253 120.785 120.570 -0.064 0.000 2.202 614 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 614 I C 1.946 178.061 176.117 -0.004 0.000 1.091 614 I CA 1.016 62.265 61.300 -0.085 0.000 1.368 614 I CB -0.073 37.807 38.000 -0.201 0.000 1.058 614 I HN 0.210 nan 8.210 nan 0.000 0.410 615 L N 0.381 121.581 121.223 -0.038 0.000 2.478 615 L HA 0.091 4.431 4.340 -0.000 0.000 0.223 615 L C 1.249 177.881 176.870 -0.396 0.000 1.140 615 L CA 0.551 55.325 54.840 -0.109 0.000 0.842 615 L CB -0.771 41.280 42.059 -0.013 0.000 0.953 615 L HN 0.530 nan 8.230 nan 0.000 0.452 616 G N 0.006 108.644 108.800 -0.270 0.000 2.298 616 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.287 616 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.287 616 G C -0.384 174.234 174.900 -0.470 0.000 1.075 616 G CA -0.104 44.811 45.100 -0.309 0.000 0.960 616 G HN 0.372 nan 8.290 nan 0.000 0.502 617 Y N -0.886 119.407 120.300 -0.011 0.000 2.602 617 Y HA 0.489 5.038 4.550 -0.000 0.000 0.342 617 Y C 0.744 176.624 175.900 -0.033 0.000 1.029 617 Y CA -1.243 56.861 58.100 0.007 0.000 1.080 617 Y CB 1.063 39.536 38.460 0.021 0.000 1.284 617 Y HN 0.166 nan 8.280 nan 0.000 0.485 618 N N 1.276 120.086 118.700 0.184 0.000 2.374 618 N HA -0.059 4.681 4.740 -0.000 0.000 0.241 618 N C 0.216 175.757 175.510 0.051 0.000 1.262 618 N CA 0.125 53.213 53.050 0.063 0.000 0.880 618 N CB 0.726 39.267 38.487 0.089 0.000 1.105 618 N HN 0.778 nan 8.380 nan 0.000 0.438 619 E N 0.882 121.079 120.200 -0.005 0.000 4.484 619 E HA -0.210 4.139 4.350 -0.000 0.000 0.580 619 E C 1.528 178.105 176.600 -0.039 0.000 0.861 619 E CA 1.763 58.148 56.400 -0.025 0.000 3.967 619 E CB -0.280 29.388 29.700 -0.054 0.000 1.247 619 E HN 0.798 nan 8.360 nan 0.000 0.294 620 C N -1.068 118.141 119.300 -0.152 0.000 4.828 620 C HA 0.265 4.725 4.460 -0.000 0.000 0.245 620 C C 1.724 176.697 174.990 -0.029 0.000 1.813 620 C CA 0.312 59.236 59.018 -0.157 0.000 1.498 620 C CB -1.289 26.205 27.740 -0.410 0.000 1.809 620 C HN 0.576 nan 8.230 nan 0.000 0.642 621 F N 0.877 120.938 119.950 0.185 0.000 2.850 621 F HA 0.594 5.121 4.527 -0.000 0.000 0.329 621 F C -0.042 175.937 175.800 0.298 0.000 1.182 621 F CA -0.892 57.246 58.000 0.229 0.000 1.270 621 F CB -1.014 38.139 39.000 0.255 0.000 0.979 621 F HN 0.277 nan 8.300 nan 0.000 0.506 622 E N 2.135 122.377 120.200 0.070 0.000 2.242 622 E HA 0.378 4.728 4.350 -0.000 0.000 0.275 622 E C -2.450 174.051 176.600 -0.166 0.000 1.002 622 E CA -2.142 54.226 56.400 -0.052 0.000 0.841 622 E CB 1.226 30.843 29.700 -0.138 0.000 1.109 622 E HN 0.008 nan 8.360 nan 0.000 0.394 623 P HA -0.065 nan 4.420 nan 0.000 0.271 623 P C -0.581 176.491 177.300 -0.380 0.000 1.233 623 P CA -0.338 62.329 63.100 -0.721 0.000 0.789 623 P CB 0.353 31.410 31.700 -1.072 0.000 0.951 624 V N -1.234 118.581 119.914 -0.165 0.000 3.096 624 V HA 0.072 4.192 4.120 -0.000 0.000 0.306 624 V C 1.246 177.211 176.094 -0.215 0.000 1.088 624 V CA 0.526 62.783 62.300 -0.072 0.000 1.129 624 V CB -0.075 31.831 31.823 0.138 0.000 1.014 624 V HN 0.564 nan 8.190 nan 0.000 0.486 625 T N 1.190 115.672 114.554 -0.120 0.000 3.044 625 T HA 0.219 4.569 4.350 -0.000 0.000 0.255 625 T C 0.675 175.412 174.700 0.060 0.000 1.073 625 T CA 0.964 62.971 62.100 -0.156 0.000 1.125 625 T CB -0.263 68.593 68.868 -0.020 0.000 0.908 625 T HN 1.457 nan 8.240 nan 0.000 0.480 626 S N -0.755 115.009 115.700 0.106 0.000 2.615 626 S HA 0.349 4.819 4.470 -0.000 0.000 0.268 626 S C -0.586 174.031 174.600 0.030 0.000 1.146 626 S CA -0.855 57.407 58.200 0.103 0.000 0.818 626 S CB 0.413 63.688 63.200 0.125 0.000 1.111 626 S HN 0.042 nan 8.310 nan 0.000 0.465 627 N N 0.309 118.978 118.700 -0.051 0.000 2.336 627 N HA 0.200 4.940 4.740 -0.000 0.000 0.189 627 N C -0.472 174.814 175.510 -0.373 0.000 1.113 627 N CA 0.391 53.313 53.050 -0.213 0.000 0.858 627 N CB 0.001 38.405 38.487 -0.139 0.000 0.970 627 N HN 0.527 nan 8.380 nan 0.000 0.471 628 M N 1.411 120.868 119.600 -0.239 0.000 2.131 628 M HA 0.219 4.699 4.480 -0.000 0.000 0.345 628 M C -0.943 175.263 176.300 -0.157 0.000 1.060 628 M CA -0.585 54.575 55.300 -0.233 0.000 1.011 628 M CB -0.436 32.093 32.600 -0.118 0.000 1.328 628 M HN -0.017 nan 8.290 nan 0.000 0.396 629 Y N 0.535 120.756 120.300 -0.131 0.000 2.650 629 Y HA 0.043 4.593 4.550 -0.000 0.000 0.342 629 Y C 1.245 176.999 175.900 -0.243 0.000 1.110 629 Y CA -0.304 57.695 58.100 -0.167 0.000 1.438 629 Y CB 0.276 38.622 38.460 -0.190 0.000 1.181 629 Y HN 0.506 nan 8.280 nan 0.000 0.526 630 S N 4.414 120.085 115.700 -0.049 0.000 2.455 630 S HA 0.368 4.838 4.470 -0.000 0.000 0.278 630 S C -0.310 174.165 174.600 -0.209 0.000 1.216 630 S CA -0.506 57.605 58.200 -0.147 0.000 1.055 630 S CB -0.072 63.078 63.200 -0.084 0.000 0.939 630 S HN 0.637 nan 8.310 nan 0.000 0.494 631 R N 2.814 123.101 120.500 -0.355 0.000 2.695 631 R HA 0.302 4.642 4.340 -0.000 0.000 0.288 631 R C -1.109 175.028 176.300 -0.271 0.000 1.344 631 R CA -0.579 55.318 56.100 -0.338 0.000 1.005 631 R CB 0.665 30.650 30.300 -0.525 0.000 1.233 631 R HN 0.761 nan 8.270 nan 0.000 0.442 632 R N 1.389 121.859 120.500 -0.050 0.000 2.643 632 R HA 0.836 5.176 4.340 -0.000 0.000 0.272 632 R C -1.136 175.303 176.300 0.231 0.000 0.995 632 R CA -0.886 55.298 56.100 0.139 0.000 1.032 632 R CB 1.692 32.057 30.300 0.109 0.000 1.126 632 R HN 0.144 nan 8.270 nan 0.000 0.505 633 V N 3.368 123.472 119.914 0.317 0.000 2.888 633 V HA 0.334 4.453 4.120 -0.000 0.000 0.309 633 V C -0.558 175.677 176.094 0.235 0.000 1.114 633 V CA -1.310 61.165 62.300 0.292 0.000 0.940 633 V CB 2.088 34.151 31.823 0.399 0.000 1.021 633 V HN 0.812 nan 8.190 nan 0.000 0.426 634 L N 5.486 126.814 121.223 0.174 0.000 3.022 634 L HA 0.074 4.414 4.340 -0.000 0.000 0.303 634 L C 1.157 178.102 176.870 0.125 0.000 1.081 634 L CA 1.717 56.635 54.840 0.131 0.000 1.164 634 L CB -0.346 41.773 42.059 0.099 0.000 1.559 634 L HN 0.977 nan 8.230 nan 0.000 0.422 635 S N 0.116 115.895 115.700 0.132 0.000 1.574 635 S HA 0.060 4.530 4.470 -0.000 0.000 0.114 635 S C 0.092 174.773 174.600 0.135 0.000 0.516 635 S CA 0.137 58.398 58.200 0.102 0.000 1.633 635 S CB -0.670 62.584 63.200 0.089 0.000 0.859 635 S HN 0.647 nan 8.310 nan 0.000 0.309 636 G N 0.467 109.423 108.800 0.259 0.000 2.708 636 G HA2 0.576 4.536 3.960 -0.000 0.000 0.289 636 G HA3 0.576 4.536 3.960 -0.000 0.000 0.289 636 G C -0.738 174.366 174.900 0.340 0.000 1.416 636 G CA -0.236 45.113 45.100 0.415 0.000 0.829 636 G HN 0.161 nan 8.290 nan 0.000 0.480 637 E N -0.432 119.961 120.200 0.322 0.000 2.460 637 E HA 0.183 4.533 4.350 -0.000 0.000 0.200 637 E C 0.765 177.444 176.600 0.133 0.000 1.011 637 E CA -0.605 55.905 56.400 0.184 0.000 0.912 637 E CB 0.117 29.898 29.700 0.135 0.000 0.953 637 E HN 0.408 nan 8.360 nan 0.000 0.494 638 F N 3.135 123.031 119.950 -0.091 0.000 2.633 638 F HA 0.135 4.662 4.527 -0.000 0.000 0.338 638 F C 0.101 175.811 175.800 -0.150 0.000 1.206 638 F CA -0.527 57.327 58.000 -0.242 0.000 1.378 638 F CB 0.521 39.098 39.000 -0.704 0.000 1.116 638 F HN -0.104 nan 8.300 nan 0.000 0.615 639 Q N 3.316 122.493 119.800 -1.038 0.000 2.418 639 Q HA 0.597 4.937 4.340 -0.000 0.000 0.282 639 Q C -1.584 173.988 176.000 -0.713 0.000 1.044 639 Q CA -0.929 54.320 55.803 -0.924 0.000 0.813 639 Q CB 0.930 29.430 28.738 -0.398 0.000 1.428 639 Q HN 0.958 nan 8.270 nan 0.000 0.402 640 V N -1.111 118.485 119.914 -0.530 0.000 2.994 640 V HA 0.849 4.969 4.120 -0.000 0.000 0.318 640 V C -0.060 175.892 176.094 -0.237 0.000 1.085 640 V CA -1.064 61.090 62.300 -0.243 0.000 0.998 640 V CB 1.674 33.420 31.823 -0.128 0.000 1.063 640 V HN 0.655 nan 8.190 nan 0.000 0.447 641 V N 2.411 122.195 119.914 -0.217 0.000 2.481 641 V HA 0.429 4.549 4.120 -0.000 0.000 0.286 641 V C 0.498 176.293 176.094 -0.499 0.000 1.042 641 V CA -0.584 61.507 62.300 -0.349 0.000 0.928 641 V CB 1.218 32.890 31.823 -0.252 0.000 0.986 641 V HN 1.192 nan 8.190 nan 0.000 0.462 642 N N 8.760 126.995 118.700 -0.774 0.000 2.142 642 N HA -0.024 4.716 4.740 -0.000 0.000 0.282 642 N C -1.462 173.819 175.510 -0.381 0.000 1.342 642 N CA -0.353 52.313 53.050 -0.639 0.000 0.831 642 N CB 1.078 39.282 38.487 -0.472 0.000 1.083 642 N HN 0.532 nan 8.380 nan 0.000 0.492 643 P HA -0.140 nan 4.420 nan 0.000 0.220 643 P C 0.689 177.790 177.300 -0.332 0.000 1.148 643 P CA 1.447 64.329 63.100 -0.363 0.000 0.803 643 P CB -0.039 31.440 31.700 -0.369 0.000 0.782 644 Y N -0.262 120.021 120.300 -0.030 0.000 2.153 644 Y HA -0.092 4.458 4.550 -0.000 0.000 0.289 644 Y C 2.633 178.476 175.900 -0.095 0.000 1.127 644 Y CA 0.129 58.248 58.100 0.031 0.000 1.131 644 Y CB -1.333 37.252 38.460 0.209 0.000 0.995 644 Y HN -0.157 nan 8.280 nan 0.000 0.505 645 L N 0.216 121.281 121.223 -0.263 0.000 2.042 645 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 645 L C 2.208 178.832 176.870 -0.410 0.000 1.076 645 L CA 1.415 55.842 54.840 -0.687 0.000 0.749 645 L CB -0.933 40.514 42.059 -1.020 0.000 0.893 645 L HN 0.286 nan 8.230 nan 0.000 0.432 646 L N -0.057 120.911 121.223 -0.427 0.000 1.989 646 L HA -0.239 4.101 4.340 -0.000 0.000 0.211 646 L C 2.736 179.364 176.870 -0.403 0.000 1.071 646 L CA 2.139 56.649 54.840 -0.551 0.000 0.749 646 L CB -0.858 40.831 42.059 -0.617 0.000 0.890 646 L HN 0.332 nan 8.230 nan 0.000 0.431 647 R N -0.469 119.880 120.500 -0.252 0.000 2.113 647 R HA -0.211 4.129 4.340 -0.000 0.000 0.244 647 R C 1.972 178.229 176.300 -0.072 0.000 1.142 647 R CA 2.121 58.140 56.100 -0.135 0.000 0.953 647 R CB -0.361 29.916 30.300 -0.040 0.000 0.860 647 R HN 0.496 nan 8.270 nan 0.000 0.438 648 D N -0.012 120.363 120.400 -0.041 0.000 2.097 648 D HA -0.155 4.485 4.640 -0.000 0.000 0.195 648 D C 1.914 178.215 176.300 0.001 0.000 0.989 648 D CA 1.159 55.171 54.000 0.019 0.000 0.827 648 D CB -0.208 40.646 40.800 0.091 0.000 0.966 648 D HN 0.242 nan 8.370 nan 0.000 0.456 649 L N 0.274 121.463 121.223 -0.056 0.000 2.012 649 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 649 L C 2.546 179.454 176.870 0.062 0.000 1.073 649 L CA 0.692 55.536 54.840 0.007 0.000 0.748 649 L CB -0.515 41.533 42.059 -0.018 0.000 0.891 649 L HN -0.032 nan 8.230 nan 0.000 0.431 650 V N 0.092 120.011 119.914 0.008 0.000 2.252 650 V HA -0.336 3.784 4.120 -0.000 0.000 0.249 650 V C 2.008 178.142 176.094 0.066 0.000 1.056 650 V CA 2.184 64.527 62.300 0.071 0.000 1.022 650 V CB -0.579 31.250 31.823 0.011 0.000 0.641 650 V HN 0.461 nan 8.190 nan 0.000 0.445 651 D N -0.354 120.069 120.400 0.040 0.000 2.310 651 D HA -0.065 4.575 4.640 -0.000 0.000 0.212 651 D C 1.708 178.040 176.300 0.053 0.000 0.965 651 D CA 0.877 54.905 54.000 0.047 0.000 0.879 651 D CB -0.110 40.715 40.800 0.042 0.000 0.921 651 D HN 0.361 nan 8.370 nan 0.000 0.510 652 L N -0.858 120.400 121.223 0.059 0.000 2.611 652 L HA 0.199 4.539 4.340 -0.000 0.000 0.229 652 L C 1.660 178.570 176.870 0.066 0.000 1.137 652 L CA 0.266 55.142 54.840 0.060 0.000 0.901 652 L CB 0.127 42.223 42.059 0.061 0.000 1.098 652 L HN 0.150 nan 8.230 nan 0.000 0.456 653 G N 1.114 109.962 108.800 0.079 0.000 2.347 653 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.247 653 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.247 653 G C 0.809 175.773 174.900 0.105 0.000 1.037 653 G CA 0.612 45.763 45.100 0.084 0.000 0.622 653 G HN 0.424 nan 8.290 nan 0.000 0.521 654 I N -1.386 119.251 120.570 0.112 0.000 3.456 654 I HA 0.273 4.442 4.170 -0.000 0.000 0.291 654 I C 0.976 177.195 176.117 0.170 0.000 1.307 654 I CA -0.190 61.173 61.300 0.106 0.000 1.333 654 I CB -0.139 37.908 38.000 0.080 0.000 1.032 654 I HN 0.174 nan 8.210 nan 0.000 0.506 655 W N 4.487 125.790 121.300 0.004 0.000 2.342 655 W HA 0.322 4.982 4.660 -0.000 0.000 0.310 655 W C -0.249 176.279 176.519 0.016 0.000 1.128 655 W CA -0.699 56.649 57.345 0.006 0.000 1.322 655 W CB 0.361 29.822 29.460 0.002 0.000 1.251 655 W HN 0.230 nan 8.180 nan 0.000 0.439 656 D N 2.107 122.255 120.400 -0.421 0.000 2.566 656 D HA 0.233 4.872 4.640 -0.000 0.000 0.254 656 D C -0.708 175.173 176.300 -0.699 0.000 1.090 656 D CA -0.834 52.917 54.000 -0.414 0.000 1.034 656 D CB 0.723 41.402 40.800 -0.202 0.000 1.434 656 D HN -0.018 nan 8.370 nan 0.000 0.509 657 E N -0.495 119.422 120.200 -0.472 0.000 2.465 657 E HA 0.362 4.712 4.350 -0.000 0.000 0.260 657 E C 1.083 177.530 176.600 -0.255 0.000 0.980 657 E CA 1.323 57.505 56.400 -0.364 0.000 0.927 657 E CB 0.895 30.471 29.700 -0.206 0.000 0.934 657 E HN 0.822 nan 8.360 nan 0.000 0.459 658 G N 3.358 112.035 108.800 -0.204 0.000 2.339 658 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.209 658 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.209 658 G C 0.973 175.832 174.900 -0.067 0.000 1.015 658 G CA 0.422 45.459 45.100 -0.105 0.000 0.635 658 G HN 0.534 nan 8.290 nan 0.000 0.499 659 M N 0.568 120.072 119.600 -0.159 0.000 2.394 659 M HA 0.368 4.848 4.480 -0.000 0.000 0.266 659 M C 2.307 178.615 176.300 0.013 0.000 1.098 659 M CA 1.986 57.256 55.300 -0.050 0.000 1.149 659 M CB -0.155 32.410 32.600 -0.058 0.000 1.369 659 M HN 0.143 nan 8.290 nan 0.000 0.450 660 K N 0.159 120.422 120.400 -0.228 0.000 2.063 660 K HA -0.197 4.123 4.320 -0.000 0.000 0.208 660 K C 1.810 178.425 176.600 0.025 0.000 1.048 660 K CA 1.608 57.868 56.287 -0.044 0.000 0.928 660 K CB -0.180 32.156 32.500 -0.273 0.000 0.713 660 K HN 0.414 nan 8.250 nan 0.000 0.442 661 Q N -0.443 119.346 119.800 -0.019 0.000 2.084 661 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 661 Q C 1.998 178.029 176.000 0.052 0.000 0.978 661 Q CA 1.348 57.158 55.803 0.012 0.000 0.844 661 Q CB -0.623 28.114 28.738 -0.001 0.000 0.898 661 Q HN 0.436 nan 8.270 nan 0.000 0.426 662 Y N 1.109 121.397 120.300 -0.021 0.000 2.165 662 Y HA -0.214 4.336 4.550 -0.000 0.000 0.286 662 Y C 2.088 177.997 175.900 0.016 0.000 1.155 662 Y CA 1.282 59.381 58.100 -0.000 0.000 1.164 662 Y CB -0.308 38.155 38.460 0.005 0.000 0.978 662 Y HN 0.034 nan 8.280 nan 0.000 0.513 663 L N -0.489 120.788 121.223 0.089 0.000 2.083 663 L HA -0.247 4.093 4.340 -0.000 0.000 0.209 663 L C 2.196 179.030 176.870 -0.059 0.000 1.083 663 L CA 0.800 55.651 54.840 0.018 0.000 0.752 663 L CB -0.492 41.630 42.059 0.107 0.000 0.899 663 L HN 0.310 nan 8.230 nan 0.000 0.433 664 I N -0.281 120.264 120.570 -0.042 0.000 2.142 664 I HA -0.246 3.923 4.170 -0.000 0.000 0.240 664 I C 2.716 178.781 176.117 -0.086 0.000 1.078 664 I CA 2.206 63.474 61.300 -0.053 0.000 1.343 664 I CB -1.994 35.987 38.000 -0.031 0.000 1.046 664 I HN 0.381 nan 8.210 nan 0.000 0.405 665 T N -1.578 112.905 114.554 -0.118 0.000 3.023 665 T HA -0.131 4.219 4.350 -0.000 0.000 0.266 665 T C 1.720 176.306 174.700 -0.188 0.000 1.093 665 T CA 0.769 62.790 62.100 -0.131 0.000 1.129 665 T CB -0.193 68.607 68.868 -0.114 0.000 0.899 665 T HN 0.136 nan 8.240 nan 0.000 0.491 666 Q N 1.521 121.149 119.800 -0.286 0.000 2.403 666 Q HA 0.267 4.607 4.340 -0.000 0.000 0.203 666 Q C 0.131 176.052 176.000 -0.130 0.000 0.932 666 Q CA 0.172 55.802 55.803 -0.289 0.000 0.945 666 Q CB -0.866 27.546 28.738 -0.543 0.000 1.045 666 Q HN 0.804 nan 8.270 nan 0.000 0.511 667 N N -1.475 117.165 118.700 -0.099 0.000 2.747 667 N HA -0.233 4.507 4.740 -0.000 0.000 0.249 667 N C 0.316 175.813 175.510 -0.022 0.000 1.107 667 N CA 0.092 53.110 53.050 -0.054 0.000 0.707 667 N CB -1.480 36.975 38.487 -0.052 0.000 1.054 667 N HN 0.415 nan 8.380 nan 0.000 0.555 668 G N -0.825 107.955 108.800 -0.033 0.000 2.176 668 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.252 668 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.252 668 G C 0.028 174.943 174.900 0.025 0.000 1.024 668 G CA 0.505 45.595 45.100 -0.017 0.000 0.755 668 G HN 0.772 nan 8.290 nan 0.000 0.507 669 S N -1.053 114.670 115.700 0.037 0.000 2.585 669 S HA 0.699 5.169 4.470 -0.000 0.000 0.277 669 S C 1.135 175.808 174.600 0.122 0.000 1.241 669 S CA -0.753 57.499 58.200 0.085 0.000 1.041 669 S CB 0.854 64.112 63.200 0.097 0.000 0.987 669 S HN 0.246 nan 8.310 nan 0.000 0.512 670 I N 2.422 123.083 120.570 0.152 0.000 4.139 670 I HA 0.225 4.395 4.170 -0.000 0.000 0.335 670 I C 0.927 177.157 176.117 0.190 0.000 1.327 670 I CA 0.300 61.710 61.300 0.183 0.000 1.112 670 I CB -0.375 37.724 38.000 0.164 0.000 1.058 670 I HN 0.620 nan 8.210 nan 0.000 0.396 671 Q N 0.847 120.752 119.800 0.175 0.000 2.722 671 Q HA 0.215 4.555 4.340 -0.000 0.000 0.214 671 Q C 0.855 176.959 176.000 0.173 0.000 1.109 671 Q CA 0.384 56.282 55.803 0.157 0.000 1.066 671 Q CB -0.385 28.445 28.738 0.153 0.000 1.290 671 Q HN 0.399 nan 8.270 nan 0.000 0.620 672 G N 0.640 109.522 108.800 0.137 0.000 2.246 672 G HA2 -0.153 3.806 3.960 -0.000 0.000 0.227 672 G HA3 -0.153 3.806 3.960 -0.000 0.000 0.227 672 G C -0.548 174.441 174.900 0.149 0.000 0.404 672 G CA 0.497 45.674 45.100 0.128 0.000 1.034 672 G HN 0.411 nan 8.290 nan 0.000 0.425 673 L N 3.842 125.100 121.223 0.057 0.000 2.753 673 L HA 0.246 4.586 4.340 -0.000 0.000 0.259 673 L C -1.857 174.973 176.870 -0.067 0.000 0.958 673 L CA -1.813 52.984 54.840 -0.073 0.000 0.955 673 L CB 2.083 44.122 42.059 -0.033 0.000 1.317 673 L HN 0.222 nan 8.230 nan 0.000 0.436 674 P HA -0.118 nan 4.420 nan 0.000 0.215 674 P C 0.923 178.206 177.300 -0.030 0.000 1.157 674 P CA 1.323 64.395 63.100 -0.047 0.000 0.868 674 P CB 0.131 31.796 31.700 -0.058 0.000 0.788 675 N N -0.318 118.356 118.700 -0.044 0.000 2.069 675 N HA -0.069 4.671 4.740 -0.000 0.000 0.191 675 N C 0.346 175.863 175.510 0.012 0.000 1.031 675 N CA 0.860 53.901 53.050 -0.015 0.000 0.852 675 N CB -0.759 37.718 38.487 -0.018 0.000 1.018 675 N HN 0.037 nan 8.380 nan 0.000 0.423 676 V N 4.162 124.087 119.914 0.019 0.000 2.521 676 V HA 0.110 4.230 4.120 -0.000 0.000 0.286 676 V C -1.939 174.187 176.094 0.054 0.000 1.034 676 V CA -1.113 61.217 62.300 0.050 0.000 1.045 676 V CB 0.853 32.718 31.823 0.069 0.000 0.974 676 V HN 0.100 nan 8.190 nan 0.000 0.480 677 P HA 0.128 nan 4.420 nan 0.000 0.272 677 P C 0.455 177.791 177.300 0.061 0.000 1.223 677 P CA -0.282 62.850 63.100 0.054 0.000 0.784 677 P CB 0.671 32.402 31.700 0.052 0.000 0.923 678 Q N 1.645 121.474 119.800 0.049 0.000 2.077 678 Q HA -0.252 4.088 4.340 -0.000 0.000 0.206 678 Q C 1.543 177.569 176.000 0.045 0.000 0.989 678 Q CA 2.097 57.928 55.803 0.047 0.000 0.853 678 Q CB -0.765 27.994 28.738 0.036 0.000 0.907 678 Q HN 0.413 nan 8.270 nan 0.000 0.418 679 E N -0.215 120.007 120.200 0.037 0.000 2.086 679 E HA -0.199 4.150 4.350 -0.000 0.000 0.200 679 E C 1.912 178.526 176.600 0.023 0.000 1.012 679 E CA 1.609 58.022 56.400 0.022 0.000 0.812 679 E CB -0.363 29.350 29.700 0.023 0.000 0.743 679 E HN 0.355 nan 8.360 nan 0.000 0.453 680 L N 0.181 121.448 121.223 0.074 0.000 2.141 680 L HA -0.166 4.174 4.340 -0.000 0.000 0.209 680 L C 2.178 179.156 176.870 0.181 0.000 1.094 680 L CA 1.172 56.102 54.840 0.150 0.000 0.763 680 L CB -0.288 41.908 42.059 0.228 0.000 0.908 680 L HN 0.086 nan 8.230 nan 0.000 0.437 681 K N -0.100 120.379 120.400 0.131 0.000 2.097 681 K HA -0.137 4.183 4.320 -0.000 0.000 0.205 681 K C 1.692 178.345 176.600 0.089 0.000 1.050 681 K CA 1.256 57.622 56.287 0.132 0.000 0.938 681 K CB 0.005 32.568 32.500 0.106 0.000 0.718 681 K HN 0.298 nan 8.250 nan 0.000 0.442 682 D N 0.453 120.875 120.400 0.037 0.000 2.194 682 D HA -0.118 4.522 4.640 -0.000 0.000 0.204 682 D C 1.819 178.084 176.300 -0.058 0.000 0.964 682 D CA 0.672 54.673 54.000 0.002 0.000 0.846 682 D CB 0.005 40.800 40.800 -0.008 0.000 0.962 682 D HN 0.031 nan 8.370 nan 0.000 0.490 683 L N 0.096 121.227 121.223 -0.152 0.000 2.083 683 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 683 L C 1.098 177.671 176.870 -0.495 0.000 1.083 683 L CA 1.648 56.249 54.840 -0.397 0.000 0.752 683 L CB -0.418 41.253 42.059 -0.648 0.000 0.899 683 L HN 0.041 nan 8.230 nan 0.000 0.433 684 Y N -0.953 119.385 120.300 0.062 0.000 2.681 684 Y HA 0.278 4.828 4.550 -0.000 0.000 0.267 684 Y C 0.731 176.660 175.900 0.049 0.000 1.166 684 Y CA -0.803 57.335 58.100 0.063 0.000 1.209 684 Y CB -0.264 38.232 38.460 0.060 0.000 1.161 684 Y HN -0.087 nan 8.280 nan 0.000 0.534 685 K N 1.108 121.577 120.400 0.116 0.000 2.561 685 K HA 0.012 4.331 4.320 -0.000 0.000 0.280 685 K C 0.420 177.038 176.600 0.030 0.000 0.975 685 K CA 0.550 56.879 56.287 0.071 0.000 1.024 685 K CB 0.443 32.964 32.500 0.035 0.000 0.883 685 K HN 0.094 nan 8.250 nan 0.000 0.496 686 T N 1.140 115.697 114.554 0.006 0.000 2.902 686 T HA 0.037 4.387 4.350 -0.000 0.000 0.280 686 T C 1.299 175.850 174.700 -0.248 0.000 0.992 686 T CA -0.679 61.375 62.100 -0.076 0.000 1.015 686 T CB 1.660 70.560 68.868 0.054 0.000 1.044 686 T HN 0.396 nan 8.240 nan 0.000 0.520 687 V N 1.461 121.044 119.914 -0.551 0.000 2.490 687 V HA -0.122 3.998 4.120 -0.000 0.000 0.250 687 V C 1.427 177.142 176.094 -0.632 0.000 1.061 687 V CA 1.750 63.559 62.300 -0.817 0.000 1.064 687 V CB -0.575 30.395 31.823 -1.422 0.000 0.670 687 V HN 0.938 nan 8.190 nan 0.000 0.461 688 W N 0.166 121.351 121.300 -0.192 0.000 2.374 688 W HA -0.103 4.557 4.660 -0.000 0.000 0.288 688 W C 2.360 178.779 176.519 -0.167 0.000 1.218 688 W CA 1.073 58.324 57.345 -0.158 0.000 1.245 688 W CB -0.307 29.043 29.460 -0.184 0.000 1.126 688 W HN 0.232 nan 8.180 nan 0.000 0.545 689 E N 0.075 120.295 120.200 0.033 0.000 2.435 689 E HA 0.042 4.392 4.350 -0.000 0.000 0.195 689 E C 0.581 177.179 176.600 -0.004 0.000 1.029 689 E CA 0.188 56.600 56.400 0.021 0.000 0.865 689 E CB 0.061 29.791 29.700 0.051 0.000 0.833 689 E HN 0.191 nan 8.360 nan 0.000 0.510 690 I N 0.908 121.437 120.570 -0.068 0.000 2.440 690 I HA 0.036 4.206 4.170 -0.000 0.000 0.294 690 I C 0.433 176.536 176.117 -0.024 0.000 0.995 690 I CA -0.587 60.676 61.300 -0.062 0.000 1.306 690 I CB 1.538 39.441 38.000 -0.161 0.000 1.407 690 I HN -0.078 nan 8.210 nan 0.000 0.501 691 S N 4.544 120.253 115.700 0.016 0.000 2.510 691 S HA 0.051 4.521 4.470 -0.000 0.000 0.279 691 S C 0.957 175.586 174.600 0.049 0.000 1.284 691 S CA -0.536 57.685 58.200 0.034 0.000 1.059 691 S CB 0.898 64.119 63.200 0.035 0.000 0.901 691 S HN 0.516 nan 8.310 nan 0.000 0.491 692 Q N 4.056 123.893 119.800 0.062 0.000 2.224 692 Q HA -0.026 4.314 4.340 -0.000 0.000 0.203 692 Q C 1.729 177.802 176.000 0.122 0.000 0.970 692 Q CA 1.259 57.122 55.803 0.101 0.000 0.865 692 Q CB -0.173 28.635 28.738 0.117 0.000 0.922 692 Q HN 0.715 nan 8.270 nan 0.000 0.445 693 K N -0.132 120.302 120.400 0.056 0.000 2.147 693 K HA -0.075 4.244 4.320 -0.000 0.000 0.205 693 K C 1.960 178.664 176.600 0.173 0.000 1.049 693 K CA 1.267 57.577 56.287 0.039 0.000 0.936 693 K CB 0.010 32.401 32.500 -0.183 0.000 0.722 693 K HN 0.198 nan 8.250 nan 0.000 0.446 694 T N 1.901 116.532 114.554 0.129 0.000 2.770 694 T HA -0.048 4.301 4.350 -0.000 0.000 0.263 694 T C 1.901 176.719 174.700 0.197 0.000 1.039 694 T CA 0.668 62.858 62.100 0.150 0.000 1.142 694 T CB 0.010 68.953 68.868 0.124 0.000 0.868 694 T HN 0.041 nan 8.240 nan 0.000 0.435 695 I N 1.582 122.270 120.570 0.197 0.000 2.163 695 I HA -0.135 4.035 4.170 -0.000 0.000 0.243 695 I C 2.386 178.644 176.117 0.235 0.000 1.085 695 I CA 1.333 62.774 61.300 0.235 0.000 1.347 695 I CB -1.052 37.065 38.000 0.196 0.000 1.044 695 I HN 0.246 nan 8.210 nan 0.000 0.408 696 I N 0.925 121.640 120.570 0.242 0.000 2.179 696 I HA -0.294 3.876 4.170 -0.000 0.000 0.242 696 I C 2.246 178.472 176.117 0.181 0.000 1.088 696 I CA 1.392 62.835 61.300 0.238 0.000 1.357 696 I CB -1.358 36.858 38.000 0.359 0.000 1.051 696 I HN 0.297 nan 8.210 nan 0.000 0.409 697 N N 1.037 119.866 118.700 0.215 0.000 2.094 697 N HA -0.173 4.567 4.740 -0.000 0.000 0.191 697 N C 1.894 177.445 175.510 0.069 0.000 1.023 697 N CA 1.471 54.604 53.050 0.139 0.000 0.857 697 N CB -0.310 38.273 38.487 0.158 0.000 1.013 697 N HN 0.376 nan 8.380 nan 0.000 0.426 698 M N -0.209 119.450 119.600 0.099 0.000 2.319 698 M HA 0.040 4.520 4.480 -0.000 0.000 0.265 698 M C 2.002 178.290 176.300 -0.019 0.000 1.068 698 M CA 0.756 56.088 55.300 0.054 0.000 1.118 698 M CB 0.026 32.706 32.600 0.132 0.000 1.395 698 M HN 0.116 nan 8.290 nan 0.000 0.435 699 A N 0.269 123.114 122.820 0.042 0.000 1.929 699 A HA 0.095 4.415 4.320 -0.000 0.000 0.216 699 A C 2.301 179.852 177.584 -0.055 0.000 1.176 699 A CA 1.535 53.604 52.037 0.053 0.000 0.628 699 A CB -0.660 18.437 19.000 0.162 0.000 0.816 699 A HN 0.450 nan 8.150 nan 0.000 0.444 700 A N -0.315 122.470 122.820 -0.057 0.000 2.066 700 A HA -0.058 4.262 4.320 -0.000 0.000 0.218 700 A C 1.616 179.016 177.584 -0.306 0.000 1.157 700 A CA 1.627 53.576 52.037 -0.145 0.000 0.670 700 A CB -0.323 18.641 19.000 -0.060 0.000 0.804 700 A HN 0.423 nan 8.150 nan 0.000 0.453 701 D N -0.043 120.224 120.400 -0.223 0.000 2.120 701 D HA -0.096 4.544 4.640 -0.000 0.000 0.202 701 D C 2.239 178.375 176.300 -0.274 0.000 0.972 701 D CA 1.497 55.369 54.000 -0.214 0.000 0.837 701 D CB -0.293 40.445 40.800 -0.103 0.000 0.989 701 D HN 0.720 nan 8.370 nan 0.000 0.469 702 R N 0.330 120.624 120.500 -0.343 0.000 2.236 702 R HA 0.173 4.513 4.340 -0.000 0.000 0.208 702 R C 1.848 177.808 176.300 -0.566 0.000 1.036 702 R CA 0.753 56.586 56.100 -0.444 0.000 1.001 702 R CB -0.277 29.406 30.300 -1.028 0.000 0.896 702 R HN -0.167 nan 8.270 nan 0.000 0.464 703 S N 1.190 116.495 115.700 -0.657 0.000 2.419 703 S HA -0.087 4.383 4.470 -0.000 0.000 0.233 703 S C 1.954 175.942 174.600 -1.021 0.000 1.016 703 S CA 1.292 59.064 58.200 -0.714 0.000 0.974 703 S CB -0.019 62.812 63.200 -0.616 0.000 0.786 703 S HN 0.449 nan 8.310 nan 0.000 0.492 704 V N -1.379 117.743 119.914 -1.320 0.000 2.970 704 V HA 0.011 4.131 4.120 -0.000 0.000 0.260 704 V C 0.957 176.522 176.094 -0.883 0.000 1.100 704 V CA 1.143 62.607 62.300 -1.393 0.000 1.122 704 V CB -1.180 29.934 31.823 -1.182 0.000 0.721 704 V HN 0.578 nan 8.190 nan 0.000 0.483 705 Y N 0.257 120.335 120.300 -0.369 0.000 2.625 705 Y HA 0.577 5.127 4.550 -0.000 0.000 0.285 705 Y C 0.665 176.207 175.900 -0.597 0.000 1.168 705 Y CA -0.519 57.384 58.100 -0.329 0.000 1.250 705 Y CB 0.169 38.665 38.460 0.060 0.000 1.130 705 Y HN 0.199 nan 8.280 nan 0.000 0.526 706 I N 0.500 120.819 120.570 -0.419 0.000 2.437 706 I HA 0.099 4.269 4.170 -0.000 0.000 0.279 706 I C 0.423 176.418 176.117 -0.203 0.000 1.028 706 I CA -0.425 60.703 61.300 -0.287 0.000 1.142 706 I CB 1.206 39.069 38.000 -0.228 0.000 1.266 706 I HN 0.165 nan 8.210 nan 0.000 0.461 707 D N 3.726 123.991 120.400 -0.225 0.000 2.248 707 D HA -0.243 4.397 4.640 -0.000 0.000 0.189 707 D C 1.277 177.581 176.300 0.008 0.000 1.011 707 D CA 2.089 56.056 54.000 -0.055 0.000 0.868 707 D CB 0.435 41.250 40.800 0.025 0.000 0.931 707 D HN 0.636 nan 8.370 nan 0.000 0.449 708 Q N -0.968 118.842 119.800 0.016 0.000 3.068 708 Q HA 0.346 4.686 4.340 -0.000 0.000 0.219 708 Q C 0.573 176.614 176.000 0.067 0.000 1.163 708 Q CA -0.336 55.490 55.803 0.038 0.000 0.316 708 Q CB 0.705 29.462 28.738 0.031 0.000 5.753 708 Q HN 0.021 nan 8.270 nan 0.000 0.323 709 S N -1.142 114.605 115.700 0.078 0.000 2.903 709 S HA 0.466 4.936 4.470 -0.000 0.000 0.314 709 S C -1.888 172.816 174.600 0.174 0.000 1.177 709 S CA -0.652 57.624 58.200 0.126 0.000 0.859 709 S CB 1.150 64.406 63.200 0.094 0.000 1.265 709 S HN 0.613 nan 8.310 nan 0.000 0.584 710 H N -1.324 117.721 119.070 -0.041 0.000 3.012 710 H HA 0.620 5.176 4.556 -0.000 0.000 0.367 710 H C -1.154 174.210 175.328 0.060 0.000 1.211 710 H CA -0.931 55.104 56.048 -0.022 0.000 1.139 710 H CB 1.139 30.770 29.762 -0.218 0.000 1.838 710 H HN 0.280 nan 8.280 nan 0.000 0.550 711 S N 2.439 118.257 115.700 0.198 0.000 3.829 711 S HA 0.041 4.511 4.470 -0.000 0.000 0.250 711 S C 0.177 174.937 174.600 0.266 0.000 1.263 711 S CA -0.533 57.655 58.200 -0.019 0.000 0.955 711 S CB -0.568 62.516 63.200 -0.193 0.000 1.611 711 S HN 0.437 nan 8.310 nan 0.000 0.483 712 L N 3.873 125.167 121.223 0.119 0.000 2.401 712 L HA 0.177 4.517 4.340 -0.000 0.000 0.283 712 L C -0.022 176.980 176.870 0.220 0.000 1.151 712 L CA -0.183 54.786 54.840 0.214 0.000 0.942 712 L CB -0.322 41.722 42.059 -0.025 0.000 1.283 712 L HN 0.485 nan 8.230 nan 0.000 0.442 713 N N 3.395 122.233 118.700 0.230 0.000 2.483 713 N HA 0.140 4.880 4.740 -0.000 0.000 0.264 713 N C -0.681 174.774 175.510 -0.092 0.000 1.197 713 N CA -0.545 52.479 53.050 -0.043 0.000 0.927 713 N CB 0.812 39.120 38.487 -0.299 0.000 1.065 713 N HN 0.314 nan 8.380 nan 0.000 0.461 714 L N 3.067 124.183 121.223 -0.177 0.000 2.343 714 L HA 0.503 4.843 4.340 -0.000 0.000 0.275 714 L C -0.767 175.922 176.870 -0.301 0.000 1.056 714 L CA -0.338 54.458 54.840 -0.075 0.000 0.804 714 L CB 0.470 42.542 42.059 0.021 0.000 1.203 714 L HN 0.450 nan 8.230 nan 0.000 0.440 715 F N 3.726 123.669 119.950 -0.012 0.000 2.507 715 F HA 0.619 5.146 4.527 -0.000 0.000 0.328 715 F C -0.372 175.515 175.800 0.145 0.000 1.136 715 F CA -0.483 57.497 58.000 -0.033 0.000 0.930 715 F CB 1.294 40.043 39.000 -0.419 0.000 1.166 715 F HN 0.068 nan 8.300 nan 0.000 0.436 716 L N 3.853 125.376 121.223 0.501 0.000 2.431 716 L HA 0.514 4.854 4.340 -0.000 0.000 0.266 716 L C 0.976 178.054 176.870 0.346 0.000 0.978 716 L CA -0.808 54.253 54.840 0.368 0.000 0.822 716 L CB 2.657 44.826 42.059 0.184 0.000 1.310 716 L HN 0.654 nan 8.230 nan 0.000 0.409 717 R N 1.879 122.488 120.500 0.182 0.000 2.056 717 R HA 0.121 4.461 4.340 -0.000 0.000 0.227 717 R C 0.469 176.716 176.300 -0.088 0.000 1.149 717 R CA 1.360 57.378 56.100 -0.138 0.000 0.937 717 R CB 0.137 30.292 30.300 -0.241 0.000 0.835 717 R HN 0.666 nan 8.270 nan 0.000 0.430 718 A N 2.324 125.143 122.820 -0.001 0.000 2.802 718 A HA 0.370 4.689 4.320 -0.000 0.000 0.344 718 A C -2.436 175.179 177.584 0.051 0.000 1.215 718 A CA -1.490 50.564 52.037 0.029 0.000 0.821 718 A CB 0.662 19.707 19.000 0.075 0.000 1.099 718 A HN 0.059 nan 8.150 nan 0.000 0.479 719 P HA 0.423 nan 4.420 nan 0.000 0.279 719 P C -0.121 177.211 177.300 0.054 0.000 1.239 719 P CA 0.281 63.416 63.100 0.057 0.000 0.789 719 P CB 1.413 33.143 31.700 0.051 0.000 0.933 720 T N -0.830 113.763 114.554 0.066 0.000 2.903 720 T HA 0.547 4.897 4.350 -0.000 0.000 0.299 720 T C 0.346 175.102 174.700 0.093 0.000 1.093 720 T CA -1.079 61.061 62.100 0.067 0.000 1.002 720 T CB 0.710 69.618 68.868 0.067 0.000 1.127 720 T HN 0.125 nan 8.240 nan 0.000 0.488 721 M N 2.070 121.731 119.600 0.101 0.000 2.251 721 M HA 0.371 4.851 4.480 -0.000 0.000 0.343 721 M C 1.575 177.984 176.300 0.181 0.000 1.245 721 M CA 1.295 56.701 55.300 0.178 0.000 1.061 721 M CB -0.885 31.827 32.600 0.187 0.000 1.723 721 M HN 1.420 nan 8.290 nan 0.000 0.449 722 G N 2.866 111.804 108.800 0.230 0.000 3.102 722 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.200 722 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.200 722 G C 1.097 176.093 174.900 0.160 0.000 1.685 722 G CA 0.052 45.260 45.100 0.181 0.000 1.299 722 G HN 0.562 nan 8.290 nan 0.000 0.576 723 K N 0.588 121.065 120.400 0.128 0.000 1.978 723 K HA 0.098 4.418 4.320 -0.000 0.000 0.214 723 K C 2.637 179.314 176.600 0.129 0.000 1.049 723 K CA 1.598 57.952 56.287 0.112 0.000 0.939 723 K CB -0.500 32.056 32.500 0.092 0.000 0.721 723 K HN 0.402 nan 8.250 nan 0.000 0.441 724 L N 0.985 122.282 121.223 0.124 0.000 1.990 724 L HA -0.256 4.084 4.340 -0.000 0.000 0.213 724 L C 2.598 179.622 176.870 0.257 0.000 1.072 724 L CA 1.613 56.511 54.840 0.097 0.000 0.755 724 L CB -0.677 41.437 42.059 0.091 0.000 0.889 724 L HN 0.315 nan 8.230 nan 0.000 0.432 725 T N -1.123 113.685 114.554 0.423 0.000 2.720 725 T HA -0.204 4.146 4.350 -0.000 0.000 0.268 725 T C 2.012 177.069 174.700 0.595 0.000 1.037 725 T CA 1.752 64.276 62.100 0.707 0.000 1.144 725 T CB -0.208 69.021 68.868 0.601 0.000 0.864 725 T HN 0.596 nan 8.240 nan 0.000 0.444 726 S N 0.538 116.450 115.700 0.353 0.000 2.414 726 S HA 0.067 4.537 4.470 -0.000 0.000 0.227 726 S C 2.140 176.947 174.600 0.344 0.000 1.022 726 S CA 0.539 58.921 58.200 0.304 0.000 0.958 726 S CB -0.437 62.861 63.200 0.164 0.000 0.797 726 S HN 0.375 nan 8.310 nan 0.000 0.493 727 M N 0.879 120.632 119.600 0.255 0.000 2.117 727 M HA -0.074 4.406 4.480 -0.000 0.000 0.262 727 M C 2.374 178.870 176.300 0.327 0.000 1.065 727 M CA 1.579 57.019 55.300 0.233 0.000 1.114 727 M CB -0.510 32.134 32.600 0.074 0.000 1.361 727 M HN 0.388 nan 8.290 nan 0.000 0.408 728 H N -0.893 118.436 119.070 0.431 0.000 2.321 728 H HA -0.114 4.442 4.556 -0.000 0.000 0.300 728 H C 1.979 177.532 175.328 0.375 0.000 1.087 728 H CA 1.676 57.985 56.048 0.435 0.000 1.319 728 H CB -0.551 29.553 29.762 0.570 0.000 1.379 728 H HN 0.335 nan 8.280 nan 0.000 0.501 729 F N -0.390 119.842 119.950 0.471 0.000 2.325 729 F HA -0.152 4.375 4.527 -0.000 0.000 0.299 729 F C 2.497 178.525 175.800 0.381 0.000 1.090 729 F CA 0.609 58.838 58.000 0.382 0.000 1.392 729 F CB -0.335 38.809 39.000 0.239 0.000 1.053 729 F HN 0.088 nan 8.300 nan 0.000 0.521 730 Y N 0.479 120.998 120.300 0.365 0.000 2.130 730 Y HA -0.024 4.526 4.550 -0.000 0.000 0.287 730 Y C 2.538 178.545 175.900 0.178 0.000 1.124 730 Y CA 1.494 59.732 58.100 0.230 0.000 1.118 730 Y CB -1.043 37.530 38.460 0.189 0.000 0.994 730 Y HN -0.014 nan 8.280 nan 0.000 0.497 731 G N -0.536 108.385 108.800 0.202 0.000 2.476 731 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.218 731 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.218 731 G C 1.496 176.416 174.900 0.033 0.000 1.164 731 G CA 1.010 46.181 45.100 0.119 0.000 0.768 731 G HN 0.656 nan 8.290 nan 0.000 0.560 732 W N 1.501 122.690 121.300 -0.185 0.000 2.333 732 W HA -0.059 4.601 4.660 -0.000 0.000 0.316 732 W C 2.587 178.863 176.519 -0.405 0.000 1.215 732 W CA 1.857 58.840 57.345 -0.604 0.000 1.278 732 W CB -0.236 28.761 29.460 -0.772 0.000 1.154 732 W HN 0.153 nan 8.180 nan 0.000 0.486 733 K N -0.032 120.132 120.400 -0.394 0.000 2.280 733 K HA -0.136 4.184 4.320 -0.000 0.000 0.202 733 K C 1.830 178.167 176.600 -0.439 0.000 1.047 733 K CA 1.279 57.237 56.287 -0.549 0.000 0.942 733 K CB -0.222 32.144 32.500 -0.223 0.000 0.739 733 K HN 0.131 nan 8.250 nan 0.000 0.457 734 K N -0.353 119.836 120.400 -0.351 0.000 2.525 734 K HA 0.006 4.326 4.320 -0.000 0.000 0.192 734 K C 0.829 177.347 176.600 -0.137 0.000 1.029 734 K CA 0.679 56.827 56.287 -0.232 0.000 1.029 734 K CB 0.455 32.819 32.500 -0.226 0.000 0.814 734 K HN 0.353 nan 8.250 nan 0.000 0.503 735 G N 2.020 110.628 108.800 -0.320 0.000 2.143 735 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.248 735 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.248 735 G C 0.205 174.975 174.900 -0.217 0.000 0.991 735 G CA -0.156 44.703 45.100 -0.402 0.000 0.689 735 G HN 0.220 nan 8.290 nan 0.000 0.522 736 L N -0.801 120.438 121.223 0.027 0.000 2.554 736 L HA 0.047 4.386 4.340 -0.000 0.000 0.293 736 L C 1.901 178.882 176.870 0.185 0.000 1.252 736 L CA 1.088 56.053 54.840 0.207 0.000 0.862 736 L CB 0.401 42.576 42.059 0.194 0.000 1.113 736 L HN 0.298 nan 8.230 nan 0.000 0.510 737 K N 0.699 121.226 120.400 0.212 0.000 2.102 737 K HA 0.050 4.370 4.320 -0.000 0.000 0.206 737 K C 0.426 177.125 176.600 0.164 0.000 1.031 737 K CA 0.590 56.970 56.287 0.155 0.000 0.962 737 K CB 0.088 32.661 32.500 0.120 0.000 0.811 737 K HN 0.535 nan 8.250 nan 0.000 0.453 738 T N 1.150 115.765 114.554 0.102 0.000 2.776 738 T HA 0.114 4.464 4.350 -0.000 0.000 0.292 738 T C 0.948 175.707 174.700 0.098 0.000 0.921 738 T CA -0.311 61.818 62.100 0.050 0.000 1.038 738 T CB 1.213 70.061 68.868 -0.032 0.000 0.910 738 T HN 0.396 nan 8.240 nan 0.000 0.536 739 G N 3.237 112.127 108.800 0.151 0.000 2.403 739 G HA2 0.084 4.044 3.960 -0.000 0.000 0.216 739 G HA3 0.084 4.044 3.960 -0.000 0.000 0.216 739 G C 0.367 175.407 174.900 0.233 0.000 1.154 739 G CA 0.319 45.612 45.100 0.323 0.000 0.784 739 G HN 0.594 nan 8.290 nan 0.000 0.538 740 M N -1.357 118.335 119.600 0.153 0.000 2.325 740 M HA 0.356 4.835 4.480 -0.000 0.000 0.285 740 M C -0.811 175.562 176.300 0.122 0.000 1.119 740 M CA -0.823 54.570 55.300 0.154 0.000 0.959 740 M CB 1.573 34.308 32.600 0.225 0.000 1.737 740 M HN 0.233 nan 8.290 nan 0.000 0.486 741 Y N 3.628 123.857 120.300 -0.119 0.000 3.184 741 Y HA 0.167 4.717 4.550 -0.000 0.000 0.213 741 Y C -0.598 175.142 175.900 -0.267 0.000 0.892 741 Y CA -0.050 57.822 58.100 -0.380 0.000 0.931 741 Y CB 0.219 38.481 38.460 -0.329 0.000 1.108 741 Y HN 0.615 nan 8.280 nan 0.000 0.477 742 Y N 1.525 121.513 120.300 -0.520 0.000 2.304 742 Y HA 0.186 4.736 4.550 -0.000 0.000 0.327 742 Y C 0.002 175.779 175.900 -0.206 0.000 1.209 742 Y CA -0.351 57.575 58.100 -0.291 0.000 1.299 742 Y CB 0.712 38.892 38.460 -0.467 0.000 1.249 742 Y HN 0.200 nan 8.280 nan 0.000 0.519 743 L N 5.669 126.943 121.223 0.085 0.000 2.325 743 L HA 0.272 4.612 4.340 -0.000 0.000 0.284 743 L C -0.474 176.380 176.870 -0.026 0.000 1.089 743 L CA -0.336 54.508 54.840 0.006 0.000 0.836 743 L CB -0.121 41.966 42.059 0.047 0.000 1.184 743 L HN 0.610 nan 8.230 nan 0.000 0.444 744 R N 3.149 123.551 120.500 -0.163 0.000 2.346 744 R HA 0.461 4.801 4.340 -0.000 0.000 0.311 744 R C -0.433 176.018 176.300 0.252 0.000 0.983 744 R CA -0.426 55.630 56.100 -0.073 0.000 0.880 744 R CB 1.715 31.775 30.300 -0.400 0.000 1.100 744 R HN 0.591 nan 8.270 nan 0.000 0.453 745 T N -1.061 113.641 114.554 0.247 0.000 2.886 745 T HA 0.243 4.593 4.350 -0.000 0.000 0.292 745 T C -0.017 174.600 174.700 -0.140 0.000 1.012 745 T CA -0.913 61.259 62.100 0.121 0.000 0.982 745 T CB 2.183 71.063 68.868 0.021 0.000 1.018 745 T HN 0.464 nan 8.240 nan 0.000 0.451 746 Q N 1.541 120.879 119.800 -0.771 0.000 2.428 746 Q HA 0.430 4.770 4.340 -0.000 0.000 0.276 746 Q C 0.352 176.096 176.000 -0.428 0.000 1.059 746 Q CA -0.407 54.768 55.803 -1.047 0.000 0.923 746 Q CB 0.369 28.169 28.738 -1.565 0.000 1.283 746 Q HN 1.005 nan 8.270 nan 0.000 0.447 747 A N 2.709 125.350 122.820 -0.299 0.000 2.548 747 A HA 0.222 4.541 4.320 -0.000 0.000 0.247 747 A C 1.020 178.505 177.584 -0.164 0.000 1.067 747 A CA 0.629 52.570 52.037 -0.160 0.000 0.757 747 A CB 0.035 18.973 19.000 -0.104 0.000 0.996 747 A HN 0.962 nan 8.150 nan 0.000 0.504 748 A N 2.669 125.421 122.820 -0.113 0.000 2.024 748 A HA -0.096 4.224 4.320 -0.000 0.000 0.220 748 A C 2.293 179.832 177.584 -0.075 0.000 1.164 748 A CA 2.127 54.110 52.037 -0.091 0.000 0.643 748 A CB -0.905 18.060 19.000 -0.059 0.000 0.806 748 A HN 1.507 nan 8.150 nan 0.000 0.451 749 S N -0.297 115.362 115.700 -0.069 0.000 2.442 749 S HA 0.096 4.566 4.470 -0.000 0.000 0.236 749 S C 1.697 176.257 174.600 -0.067 0.000 1.007 749 S CA 1.139 59.305 58.200 -0.057 0.000 0.965 749 S CB -0.279 62.892 63.200 -0.049 0.000 0.773 749 S HN 0.876 nan 8.310 nan 0.000 0.504 750 A N 0.759 123.517 122.820 -0.102 0.000 2.108 750 A HA 0.766 5.086 4.320 -0.000 0.000 0.206 750 A C 2.207 179.723 177.584 -0.113 0.000 1.212 750 A CA 0.559 52.527 52.037 -0.115 0.000 0.843 750 A CB -0.727 18.171 19.000 -0.170 0.000 0.902 750 A HN 0.558 nan 8.150 nan 0.000 0.477 751 A N 0.241 122.974 122.820 -0.146 0.000 1.898 751 A HA 0.134 4.454 4.320 -0.000 0.000 0.216 751 A C 1.173 178.766 177.584 0.015 0.000 1.181 751 A CA 0.884 52.857 52.037 -0.107 0.000 0.620 751 A CB -0.389 18.524 19.000 -0.145 0.000 0.819 751 A HN 0.381 nan 8.150 nan 0.000 0.442 752 I N 0.022 120.588 120.570 -0.008 0.000 2.204 752 I HA 0.167 4.337 4.170 -0.000 0.000 0.285 752 I C 0.811 176.932 176.117 0.007 0.000 1.112 752 I CA 0.420 61.725 61.300 0.008 0.000 1.502 752 I CB -0.122 37.873 38.000 -0.009 0.000 1.499 752 I HN 0.631 nan 8.210 nan 0.000 0.661 753 Q N 1.439 121.260 119.800 0.035 0.000 2.241 753 Q HA -0.037 4.302 4.340 -0.000 0.000 0.184 753 Q C 1.372 177.399 176.000 0.045 0.000 0.712 753 Q CA -0.151 55.663 55.803 0.018 0.000 0.863 753 Q CB -0.036 28.705 28.738 0.005 0.000 1.256 753 Q HN 0.357 nan 8.270 nan 0.000 0.409 754 F N 2.188 122.107 119.950 -0.053 0.000 2.102 754 F HA -0.142 4.384 4.527 -0.000 0.000 0.298 754 F C 1.892 177.679 175.800 -0.022 0.000 1.105 754 F CA 2.545 60.524 58.000 -0.035 0.000 1.239 754 F CB -0.220 38.754 39.000 -0.043 0.000 0.991 754 F HN 0.096 nan 8.300 nan 0.000 0.474 755 T N 1.157 115.748 114.554 0.062 0.000 2.708 755 T HA -0.176 4.173 4.350 -0.000 0.000 0.266 755 T C 2.129 176.771 174.700 -0.096 0.000 1.037 755 T CA 1.933 64.014 62.100 -0.032 0.000 1.146 755 T CB -0.583 68.314 68.868 0.049 0.000 0.865 755 T HN 0.307 nan 8.240 nan 0.000 0.435 756 I N 1.125 121.658 120.570 -0.061 0.000 2.493 756 I HA -0.123 4.047 4.170 -0.000 0.000 0.254 756 I C 2.221 178.287 176.117 -0.086 0.000 1.160 756 I CA 0.973 62.238 61.300 -0.059 0.000 1.445 756 I CB -0.255 37.725 38.000 -0.034 0.000 1.086 756 I HN 0.116 nan 8.210 nan 0.000 0.433 757 D N 0.143 120.469 120.400 -0.125 0.000 2.149 757 D HA -0.076 4.564 4.640 -0.000 0.000 0.201 757 D C 1.386 177.575 176.300 -0.184 0.000 0.972 757 D CA 0.798 54.715 54.000 -0.138 0.000 0.835 757 D CB -0.000 40.721 40.800 -0.132 0.000 0.966 757 D HN 0.181 nan 8.370 nan 0.000 0.476 767 N N -1.049 117.652 118.700 0.001 0.000 2.765 767 N HA -0.155 4.585 4.740 -0.000 0.000 0.248 767 N C -0.562 174.952 175.510 0.006 0.000 1.063 767 N CA 1.134 54.184 53.050 0.001 0.000 0.862 767 N CB -1.250 37.232 38.487 -0.009 0.000 1.145 767 N HN 0.225 nan 8.380 nan 0.000 0.581 768 V N 0.943 120.864 119.914 0.011 0.000 2.278 768 V HA 0.165 4.285 4.120 -0.000 0.000 0.235 768 V C 1.289 177.397 176.094 0.022 0.000 1.281 768 V CA 0.208 62.519 62.300 0.018 0.000 1.351 768 V CB -0.870 30.966 31.823 0.020 0.000 1.411 768 V HN 0.394 nan 8.190 nan 0.000 0.491 769 A N 3.306 126.141 122.820 0.024 0.000 2.566 769 A HA 0.019 4.338 4.320 -0.000 0.000 0.245 769 A C 0.610 178.213 177.584 0.033 0.000 1.056 769 A CA -0.125 51.929 52.037 0.028 0.000 0.757 769 A CB -0.156 18.864 19.000 0.032 0.000 0.979 769 A HN 0.719 nan 8.150 nan 0.000 0.508 770 D N 2.263 122.682 120.400 0.031 0.000 2.455 770 D HA 0.099 4.739 4.640 -0.000 0.000 0.265 770 D C 1.213 177.534 176.300 0.036 0.000 1.284 770 D CA 0.159 54.178 54.000 0.031 0.000 0.944 770 D CB 0.035 40.851 40.800 0.027 0.000 1.121 770 D HN 0.383 nan 8.370 nan 0.000 0.525 771 I N 2.264 122.857 120.570 0.038 0.000 2.145 771 I HA -0.303 3.867 4.170 -0.000 0.000 0.244 771 I C 2.389 178.530 176.117 0.039 0.000 1.075 771 I CA 1.065 62.390 61.300 0.042 0.000 1.332 771 I CB -0.828 37.195 38.000 0.038 0.000 1.033 771 I HN 0.298 nan 8.210 nan 0.000 0.410 772 S N 0.403 116.122 115.700 0.032 0.000 2.493 772 S HA -0.167 4.303 4.470 -0.000 0.000 0.243 772 S C 1.501 176.119 174.600 0.031 0.000 0.991 772 S CA 0.801 59.018 58.200 0.029 0.000 0.957 772 S CB -0.734 62.481 63.200 0.024 0.000 0.756 772 S HN 0.498 nan 8.310 nan 0.000 0.521 773 N N 1.063 119.784 118.700 0.034 0.000 2.199 773 N HA 0.097 4.837 4.740 -0.000 0.000 0.254 773 N C -0.063 175.472 175.510 0.041 0.000 1.299 773 N CA 0.289 53.361 53.050 0.036 0.000 0.940 773 N CB -0.610 37.900 38.487 0.038 0.000 1.051 773 N HN 0.340 nan 8.380 nan 0.000 0.426 774 L N 0.243 121.493 121.223 0.046 0.000 3.339 774 L HA -0.197 4.143 4.340 -0.000 0.000 0.610 774 L C -0.440 176.459 176.870 0.049 0.000 1.015 774 L CA 0.202 55.073 54.840 0.052 0.000 1.223 774 L CB -0.469 41.626 42.059 0.060 0.000 1.327 774 L HN 0.400 nan 8.230 nan 0.000 0.716 775 K N 4.665 125.093 120.400 0.047 0.000 2.237 775 K HA 0.343 4.663 4.320 -0.000 0.000 0.283 775 K C 0.147 176.778 176.600 0.051 0.000 1.080 775 K CA 0.381 56.695 56.287 0.045 0.000 0.965 775 K CB 0.394 32.919 32.500 0.042 0.000 1.098 775 K HN 0.396 nan 8.250 nan 0.000 0.434 776 R N 2.183 122.714 120.500 0.051 0.000 2.651 776 R HA 0.360 4.700 4.340 -0.000 0.000 0.278 776 R C -2.462 173.871 176.300 0.056 0.000 1.010 776 R CA -1.777 54.357 56.100 0.057 0.000 0.896 776 R CB 1.842 32.179 30.300 0.063 0.000 1.211 776 R HN 0.253 nan 8.270 nan 0.000 0.456 777 P HA 0.155 nan 4.420 nan 0.000 0.272 777 P C -0.920 176.427 177.300 0.078 0.000 1.230 777 P CA -0.323 62.817 63.100 0.067 0.000 0.788 777 P CB 0.860 32.605 31.700 0.075 0.000 0.949 778 S N 0.752 116.500 115.700 0.080 0.000 2.451 778 S HA 0.260 4.730 4.470 -0.000 0.000 0.301 778 S C -0.861 173.818 174.600 0.132 0.000 1.116 778 S CA -0.332 57.923 58.200 0.092 0.000 1.093 778 S CB 0.043 63.277 63.200 0.057 0.000 1.017 778 S HN 0.328 nan 8.310 nan 0.000 0.482 779 Y N 4.027 124.349 120.300 0.037 0.000 2.496 779 Y HA 0.352 4.902 4.550 -0.000 0.000 0.334 779 Y C -0.068 175.872 175.900 0.068 0.000 1.080 779 Y CA -0.550 57.583 58.100 0.055 0.000 1.355 779 Y CB 0.420 38.907 38.460 0.044 0.000 1.193 779 Y HN 0.534 nan 8.280 nan 0.000 0.523 780 M N 10.733 130.041 119.600 -0.487 0.000 2.111 780 M HA 0.437 4.917 4.480 -0.000 0.000 0.351 780 M C -2.711 173.142 176.300 -0.746 0.000 1.214 780 M CA -3.059 51.995 55.300 -0.411 0.000 1.120 780 M CB 0.231 32.748 32.600 -0.138 0.000 1.443 780 M HN 0.332 nan 8.290 nan 0.000 0.429 781 P HA 0.222 nan 4.420 nan 0.000 0.270 781 P C -0.807 176.446 177.300 -0.079 0.000 1.223 781 P CA -0.137 62.737 63.100 -0.377 0.000 0.785 781 P CB 0.712 32.392 31.700 -0.034 0.000 0.923 782 S N -0.236 115.460 115.700 -0.006 0.000 2.745 782 S HA 0.698 5.168 4.470 -0.000 0.000 0.292 782 S C -0.018 174.304 174.600 -0.463 0.000 1.133 782 S CA -0.413 57.618 58.200 -0.281 0.000 0.998 782 S CB 1.006 64.179 63.200 -0.044 0.000 1.087 782 S HN 0.653 nan 8.310 nan 0.000 0.551 783 S N -0.326 114.888 115.700 -0.811 0.000 2.806 783 S HA 0.721 5.191 4.470 -0.000 0.000 0.306 783 S C 0.764 175.142 174.600 -0.370 0.000 1.167 783 S CA -0.210 57.743 58.200 -0.412 0.000 0.847 783 S CB 0.713 63.701 63.200 -0.354 0.000 1.216 783 S HN 0.782 nan 8.310 nan 0.000 0.532 784 A N 0.667 123.258 122.820 -0.382 0.000 2.186 784 A HA 0.080 4.400 4.320 -0.000 0.000 0.219 784 A C 1.891 179.239 177.584 -0.393 0.000 1.159 784 A CA 1.941 53.638 52.037 -0.566 0.000 0.680 784 A CB -1.121 17.399 19.000 -0.799 0.000 0.787 784 A HN 1.503 nan 8.150 nan 0.000 0.467 785 S N -2.884 112.644 115.700 -0.286 0.000 2.649 785 S HA 0.382 4.852 4.470 -0.000 0.000 0.246 785 S C 0.097 174.693 174.600 -0.006 0.000 1.057 785 S CA -0.007 58.108 58.200 -0.142 0.000 1.051 785 S CB -0.219 62.946 63.200 -0.059 0.000 1.018 785 S HN 0.848 nan 8.310 nan 0.000 0.569 786 Y N -0.199 120.048 120.300 -0.089 0.000 2.553 786 Y HA 0.889 5.439 4.550 -0.000 0.000 0.347 786 Y C -0.872 175.043 175.900 0.025 0.000 1.019 786 Y CA -1.632 56.478 58.100 0.017 0.000 1.032 786 Y CB 1.034 39.504 38.460 0.017 0.000 1.284 786 Y HN 0.145 nan 8.280 nan 0.000 0.466 787 A N 1.972 124.906 122.820 0.190 0.000 2.273 787 A HA 0.709 5.029 4.320 -0.000 0.000 0.315 787 A C 0.901 178.708 177.584 0.370 0.000 1.256 787 A CA -0.342 51.773 52.037 0.131 0.000 0.851 787 A CB 0.586 19.613 19.000 0.045 0.000 1.172 787 A HN 1.491 nan 8.150 nan 0.000 0.508 788 A N 2.041 125.078 122.820 0.361 0.000 1.986 788 A HA -0.118 4.202 4.320 -0.000 0.000 0.220 788 A C 2.168 179.915 177.584 0.271 0.000 1.171 788 A CA 2.406 54.674 52.037 0.385 0.000 0.640 788 A CB -0.626 18.520 19.000 0.243 0.000 0.811 788 A HN 1.533 nan 8.150 nan 0.000 0.451 789 S N -0.532 115.279 115.700 0.186 0.000 2.562 789 S HA -0.037 4.432 4.470 -0.000 0.000 0.221 789 S C 1.022 175.624 174.600 0.003 0.000 0.975 789 S CA 0.839 59.095 58.200 0.093 0.000 0.918 789 S CB -0.229 63.008 63.200 0.062 0.000 0.772 789 S HN 0.470 nan 8.310 nan 0.000 0.531 790 D N 1.497 121.845 120.400 -0.086 0.000 2.144 790 D HA 0.018 4.658 4.640 -0.000 0.000 0.199 790 D C 0.952 176.965 176.300 -0.479 0.000 0.984 790 D CA 1.082 54.844 54.000 -0.397 0.000 0.834 790 D CB -0.259 40.057 40.800 -0.808 0.000 0.955 790 D HN 0.574 nan 8.370 nan 0.000 0.465 791 F N -0.423 119.548 119.950 0.035 0.000 2.717 791 F HA 0.164 4.691 4.527 -0.000 0.000 0.297 791 F C 0.701 176.507 175.800 0.009 0.000 1.113 791 F CA -0.172 57.836 58.000 0.013 0.000 1.319 791 F CB 0.556 39.554 39.000 -0.002 0.000 1.097 791 F HN -0.325 nan 8.300 nan 0.000 0.595 792 V N 3.042 123.054 119.914 0.164 0.000 2.364 792 V HA 0.256 4.376 4.120 -0.000 0.000 0.272 792 V C -2.139 173.989 176.094 0.057 0.000 1.036 792 V CA -2.023 60.337 62.300 0.100 0.000 0.880 792 V CB 0.506 32.383 31.823 0.090 0.000 0.991 792 V HN -0.127 nan 8.190 nan 0.000 0.460 793 P HA 0.255 nan 4.420 nan 0.000 0.267 793 P C -0.172 177.143 177.300 0.026 0.000 1.209 793 P CA 0.211 63.326 63.100 0.026 0.000 0.763 793 P CB 0.570 32.285 31.700 0.024 0.000 0.816 794 A N 3.529 126.361 122.820 0.019 0.000 2.304 794 A HA 0.608 4.928 4.320 -0.000 0.000 0.271 794 A C 0.370 177.964 177.584 0.017 0.000 1.091 794 A CA -0.338 51.711 52.037 0.020 0.000 0.812 794 A CB 0.166 19.175 19.000 0.015 0.000 1.056 794 A HN 0.583 nan 8.150 nan 0.000 0.489 795 A N 0.924 123.755 122.820 0.018 0.000 2.425 795 A HA 0.485 4.804 4.320 -0.000 0.000 0.249 795 A C 0.861 178.452 177.584 0.012 0.000 1.084 795 A CA 0.117 52.164 52.037 0.016 0.000 0.781 795 A CB -0.646 18.365 19.000 0.018 0.000 1.019 795 A HN 2.090 nan 8.150 nan 0.000 0.490 796 V N 0.000 119.920 119.914 0.010 0.000 2.409 796 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 796 V CA 0.000 62.305 62.300 0.008 0.000 1.235 796 V CB 0.000 31.827 31.823 0.007 0.000 1.184 796 V HN 0.000 nan 8.190 nan 0.000 0.556