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 2cjh_1_A DATA FIRST_RESID 15 DATA SEQUENCE TTPDRVHEVL GRSMLVDGLD IVLDLTRSGG SYLVDAITGR RYLDMFTFVA DATA SEQUENCE SSALGMNPPA LVDDREFHAE LMQAALNKPS NSDVYSVAMA RFVETFARVL DATA SEQUENCE GDPALPHLFF VEGGALAVEN ALKAAFDWKS RHNQAHGIDP ALGTQVLHLR DATA SEQUENCE GAFHGRSGYT LSLTNTKPTI TARFPKFDWP RIDAPYMRPG LDEPAMAALE DATA SEQUENCE AEALRQARAA FETRPHDIAC FVAEPIQGEG GDRHFRPEFF AAMRELCDEF DATA SEQUENCE DALLIFDEVQ TGCGLTGTAW AYQQLDVAPD IVAFGKKTQV CGVMAGRRVD DATA SEQUENCE EVADNVFAVP SRLNSTWGGN LTDMVRARRI LEVIEAEGLF ERAVQHGKYL DATA SEQUENCE RARLDELAAD FPAVVLDPRG RGLMCAFSLP TTADRDELIR QLWQRAVIVL DATA SEQUENCE PAGADTVRFR PPLTVSTAEI DAAIAAVRSA LPVVT 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 T HA 0.000 nan 4.350 nan 0.000 0.228 15 T C 0.000 174.709 174.700 0.016 0.000 1.109 15 T CA 0.000 62.107 62.100 0.012 0.000 1.349 15 T CB 0.000 68.873 68.868 0.009 0.000 0.612 16 T N 4.140 118.708 114.554 0.022 0.000 2.932 16 T HA 0.677 5.029 4.350 0.002 0.000 0.289 16 T C -1.756 172.967 174.700 0.039 0.000 1.039 16 T CA -1.924 60.193 62.100 0.027 0.000 1.024 16 T CB 1.428 70.311 68.868 0.025 0.000 1.090 16 T HN 0.428 nan 8.240 nan 0.000 0.496 17 P HA -0.151 nan 4.420 nan 0.000 0.216 17 P C 1.170 178.519 177.300 0.081 0.000 1.157 17 P CA 1.258 64.396 63.100 0.063 0.000 0.880 17 P CB 0.032 31.769 31.700 0.062 0.000 0.791 18 D N -0.911 119.527 120.400 0.063 0.000 2.309 18 D HA -0.175 4.467 4.640 0.002 0.000 0.212 18 D C 1.422 177.762 176.300 0.068 0.000 0.968 18 D CA 0.925 54.962 54.000 0.061 0.000 0.882 18 D CB -0.457 40.367 40.800 0.040 0.000 0.918 18 D HN 0.255 nan 8.370 nan 0.000 0.503 19 R N 0.113 120.651 120.500 0.064 0.000 2.362 19 R HA 0.181 4.522 4.340 0.002 0.000 0.227 19 R C 2.090 178.432 176.300 0.070 0.000 0.905 19 R CA -0.137 55.999 56.100 0.060 0.000 1.067 19 R CB 0.594 30.917 30.300 0.038 0.000 1.078 19 R HN 0.044 nan 8.270 nan 0.000 0.516 20 V N 0.763 120.729 119.914 0.087 0.000 2.255 20 V HA -0.300 3.821 4.120 0.002 0.000 0.247 20 V C 2.148 178.248 176.094 0.011 0.000 1.051 20 V CA 1.792 64.115 62.300 0.040 0.000 1.018 20 V CB -0.554 31.285 31.823 0.027 0.000 0.641 20 V HN 0.442 nan 8.190 nan 0.000 0.445 21 H N -0.532 118.543 119.070 0.008 0.000 2.387 21 H HA -0.172 4.386 4.556 0.002 0.000 0.299 21 H C 2.430 177.759 175.328 0.002 0.000 1.090 21 H CA 1.790 57.840 56.048 0.003 0.000 1.332 21 H CB 0.127 29.891 29.762 0.003 0.000 1.386 21 H HN 0.580 nan 8.280 nan 0.000 0.516 22 E N 1.041 121.317 120.200 0.126 0.000 2.031 22 E HA -0.128 4.223 4.350 0.002 0.000 0.193 22 E C 2.351 178.973 176.600 0.036 0.000 0.994 22 E CA 1.222 57.662 56.400 0.067 0.000 0.800 22 E CB 0.159 29.890 29.700 0.053 0.000 0.752 22 E HN 0.111 nan 8.360 nan 0.000 0.447 23 V N 1.457 121.386 119.914 0.025 0.000 2.295 23 V HA -0.267 3.854 4.120 0.002 0.000 0.246 23 V C 2.531 178.622 176.094 -0.004 0.000 1.049 23 V CA 1.582 63.887 62.300 0.008 0.000 1.024 23 V CB -0.460 31.365 31.823 0.003 0.000 0.648 23 V HN 0.331 nan 8.190 nan 0.000 0.447 24 L N 0.410 121.622 121.223 -0.020 0.000 2.093 24 L HA -0.043 4.298 4.340 0.002 0.000 0.208 24 L C 2.600 179.460 176.870 -0.017 0.000 1.085 24 L CA 1.577 56.396 54.840 -0.034 0.000 0.755 24 L CB -1.067 40.945 42.059 -0.078 0.000 0.904 24 L HN 0.474 nan 8.230 nan 0.000 0.435 25 G N -0.214 108.585 108.800 -0.001 0.000 2.498 25 G HA2 -0.200 3.762 3.960 0.002 0.000 0.219 25 G HA3 -0.200 3.762 3.960 0.002 0.000 0.219 25 G C 1.679 176.584 174.900 0.008 0.000 1.119 25 G CA 0.160 45.266 45.100 0.011 0.000 0.766 25 G HN 0.322 nan 8.290 nan 0.000 0.552 26 R N 0.182 120.686 120.500 0.007 0.000 2.189 26 R HA 0.058 4.400 4.340 0.002 0.000 0.223 26 R C 1.911 178.212 176.300 0.002 0.000 1.092 26 R CA 1.255 57.358 56.100 0.005 0.000 0.989 26 R CB 0.034 30.337 30.300 0.005 0.000 0.876 26 R HN 0.297 nan 8.270 nan 0.000 0.457 27 S N -0.752 114.948 115.700 -0.001 0.000 2.589 27 S HA 0.285 4.757 4.470 0.002 0.000 0.235 27 S C 0.361 174.959 174.600 -0.002 0.000 1.051 27 S CA 0.002 58.200 58.200 -0.002 0.000 0.978 27 S CB 0.686 63.883 63.200 -0.005 0.000 0.929 27 S HN 0.072 nan 8.310 nan 0.000 0.523 28 M N 0.637 120.235 119.600 -0.004 0.000 2.618 28 M HA 0.492 4.973 4.480 0.002 0.000 0.281 28 M C -1.692 174.607 176.300 -0.002 0.000 1.267 28 M CA -0.936 54.361 55.300 -0.004 0.000 0.845 28 M CB 1.201 33.793 32.600 -0.012 0.000 1.732 28 M HN -0.120 nan 8.290 nan 0.000 0.461 29 L N 1.931 123.155 121.223 0.001 0.000 2.477 29 L HA 0.208 4.549 4.340 0.002 0.000 0.272 29 L C -0.592 176.276 176.870 -0.003 0.000 1.157 29 L CA 0.352 55.193 54.840 0.003 0.000 0.889 29 L CB 0.736 42.798 42.059 0.006 0.000 1.158 29 L HN 0.505 nan 8.230 nan 0.000 0.473 30 V N 5.932 125.848 119.914 0.003 0.000 2.184 30 V HA 0.200 4.321 4.120 0.002 0.000 0.262 30 V C 0.234 176.337 176.094 0.015 0.000 1.209 30 V CA -0.256 62.046 62.300 0.005 0.000 1.070 30 V CB 0.217 32.057 31.823 0.028 0.000 1.244 30 V HN 0.880 nan 8.190 nan 0.000 0.477 31 D N 1.606 122.001 120.400 -0.007 0.000 2.440 31 D HA 0.164 4.806 4.640 0.002 0.000 0.216 31 D C 0.907 177.178 176.300 -0.048 0.000 1.150 31 D CA 0.064 54.051 54.000 -0.023 0.000 0.832 31 D CB 0.849 41.636 40.800 -0.023 0.000 0.992 31 D HN 0.399 nan 8.370 nan 0.000 0.502 32 G N 0.542 109.320 108.800 -0.038 0.000 2.504 32 G HA2 0.465 4.426 3.960 0.002 0.000 0.257 32 G HA3 0.465 4.426 3.960 0.002 0.000 0.257 32 G C 0.108 174.945 174.900 -0.106 0.000 1.451 32 G CA -0.800 44.260 45.100 -0.067 0.000 1.059 32 G HN 0.165 nan 8.290 nan 0.000 0.550 33 L N -0.425 120.710 121.223 -0.146 0.000 2.467 33 L HA 0.088 4.429 4.340 0.002 0.000 0.270 33 L C 1.002 177.844 176.870 -0.047 0.000 1.205 33 L CA -0.215 54.474 54.840 -0.251 0.000 0.828 33 L CB 0.564 42.455 42.059 -0.279 0.000 1.101 33 L HN 0.470 nan 8.230 nan 0.000 0.479 34 D N 0.856 121.183 120.400 -0.123 0.000 2.378 34 D HA 0.008 4.649 4.640 0.002 0.000 0.222 34 D C 0.497 176.859 176.300 0.104 0.000 0.980 34 D CA 0.589 54.588 54.000 -0.002 0.000 0.907 34 D CB -0.065 40.771 40.800 0.060 0.000 0.899 34 D HN 0.408 nan 8.370 nan 0.000 0.527 35 I N -3.123 117.549 120.570 0.170 0.000 3.062 35 I HA 0.430 4.602 4.170 0.002 0.000 0.318 35 I C -0.322 175.922 176.117 0.211 0.000 1.026 35 I CA -1.022 60.370 61.300 0.153 0.000 1.096 35 I CB 1.404 39.426 38.000 0.038 0.000 1.348 35 I HN -0.433 nan 8.210 nan 0.000 0.543 36 V N 4.029 124.044 119.914 0.168 0.000 2.444 36 V HA 0.287 4.408 4.120 0.002 0.000 0.294 36 V C 0.008 176.172 176.094 0.117 0.000 1.022 36 V CA -0.680 61.708 62.300 0.147 0.000 0.850 36 V CB 1.547 33.456 31.823 0.143 0.000 0.992 36 V HN 0.572 nan 8.190 nan 0.000 0.426 37 L N 4.343 125.634 121.223 0.113 0.000 2.477 37 L HA 0.229 4.571 4.340 0.002 0.000 0.272 37 L C 0.207 177.142 176.870 0.109 0.000 1.157 37 L CA 0.276 55.196 54.840 0.132 0.000 0.889 37 L CB 0.721 42.878 42.059 0.163 0.000 1.158 37 L HN 0.707 nan 8.230 nan 0.000 0.473 38 D N 5.352 125.821 120.400 0.113 0.000 2.352 38 D HA 0.078 4.720 4.640 0.002 0.000 0.245 38 D C 1.119 177.479 176.300 0.099 0.000 1.224 38 D CA -0.176 53.880 54.000 0.093 0.000 0.879 38 D CB 1.077 41.930 40.800 0.089 0.000 1.057 38 D HN 0.544 nan 8.370 nan 0.000 0.491 39 L N 2.605 123.875 121.223 0.079 0.000 2.291 39 L HA -0.096 4.245 4.340 0.002 0.000 0.214 39 L C 2.089 179.001 176.870 0.070 0.000 1.120 39 L CA 0.740 55.626 54.840 0.076 0.000 0.799 39 L CB -0.102 41.983 42.059 0.043 0.000 0.925 39 L HN 0.360 nan 8.230 nan 0.000 0.446 40 T N -1.023 113.566 114.554 0.059 0.000 2.953 40 T HA 0.004 4.355 4.350 0.002 0.000 0.247 40 T C 1.978 176.714 174.700 0.060 0.000 1.029 40 T CA 0.680 62.810 62.100 0.050 0.000 1.144 40 T CB 0.125 69.014 68.868 0.035 0.000 0.870 40 T HN 0.236 nan 8.240 nan 0.000 0.446 41 R N 1.108 121.647 120.500 0.065 0.000 2.246 41 R HA 0.255 4.597 4.340 0.002 0.000 0.199 41 R C 0.740 177.090 176.300 0.083 0.000 0.984 41 R CA -0.000 56.138 56.100 0.063 0.000 1.015 41 R CB 0.161 30.493 30.300 0.054 0.000 0.930 41 R HN 0.130 nan 8.270 nan 0.000 0.475 42 S N 0.090 115.854 115.700 0.106 0.000 2.572 42 S HA 0.431 4.902 4.470 0.002 0.000 0.279 42 S C 0.313 174.987 174.600 0.123 0.000 1.341 42 S CA -0.024 58.256 58.200 0.133 0.000 1.043 42 S CB 1.550 64.844 63.200 0.156 0.000 0.887 42 S HN 0.458 nan 8.310 nan 0.000 0.516 43 G N -0.255 108.629 108.800 0.140 0.000 2.691 43 G HA2 0.574 4.535 3.960 0.002 0.000 0.298 43 G HA3 0.574 4.535 3.960 0.002 0.000 0.298 43 G C -0.000 174.983 174.900 0.140 0.000 1.471 43 G CA 0.203 45.375 45.100 0.119 0.000 0.912 43 G HN 1.154 nan 8.290 nan 0.000 0.553 44 G N 1.163 110.020 108.800 0.094 0.000 2.591 44 G HA2 -0.175 3.786 3.960 0.002 0.000 0.298 44 G HA3 -0.175 3.786 3.960 0.002 0.000 0.298 44 G C 1.371 176.292 174.900 0.035 0.000 1.195 44 G CA 0.904 46.048 45.100 0.075 0.000 0.989 44 G HN 1.783 nan 8.290 nan 0.000 0.551 45 S N 0.638 116.343 115.700 0.008 0.000 2.634 45 S HA 0.411 4.882 4.470 0.002 0.000 0.221 45 S C -0.318 174.007 174.600 -0.459 0.000 0.952 45 S CA 0.422 58.495 58.200 -0.212 0.000 0.930 45 S CB -0.021 63.012 63.200 -0.278 0.000 0.780 45 S HN 0.413 nan 8.310 nan 0.000 0.498 46 Y N 0.970 121.287 120.300 0.028 0.000 2.350 46 Y HA 0.498 5.050 4.550 0.003 0.000 0.338 46 Y C -0.059 175.882 175.900 0.067 0.000 0.961 46 Y CA -1.010 57.120 58.100 0.049 0.000 1.100 46 Y CB 0.898 39.381 38.460 0.038 0.000 1.179 46 Y HN -0.018 nan 8.280 nan 0.000 0.454 47 L N 4.185 125.532 121.223 0.207 0.000 2.334 47 L HA 0.582 4.924 4.340 0.002 0.000 0.277 47 L C -0.585 176.439 176.870 0.256 0.000 1.075 47 L CA -1.105 53.855 54.840 0.201 0.000 0.804 47 L CB 1.084 43.236 42.059 0.155 0.000 1.174 47 L HN 0.311 nan 8.230 nan 0.000 0.438 48 V N 1.225 121.261 119.914 0.204 0.000 2.398 48 V HA 0.154 4.275 4.120 0.002 0.000 0.286 48 V C -0.279 175.921 176.094 0.175 0.000 1.026 48 V CA -0.611 61.802 62.300 0.189 0.000 0.868 48 V CB 1.792 33.694 31.823 0.131 0.000 0.982 48 V HN 0.665 nan 8.190 nan 0.000 0.443 49 D N 3.945 124.468 120.400 0.204 0.000 2.325 49 D HA 0.376 5.018 4.640 0.002 0.000 0.251 49 D C 0.941 177.316 176.300 0.125 0.000 1.196 49 D CA 0.184 54.282 54.000 0.163 0.000 0.866 49 D CB 1.915 42.844 40.800 0.215 0.000 1.101 49 D HN 0.588 nan 8.370 nan 0.000 0.476 50 A N 4.219 127.102 122.820 0.106 0.000 2.067 50 A HA -0.076 4.245 4.320 0.002 0.000 0.219 50 A C 2.119 179.748 177.584 0.076 0.000 1.158 50 A CA 0.727 52.815 52.037 0.084 0.000 0.661 50 A CB -0.436 18.610 19.000 0.076 0.000 0.801 50 A HN 0.757 nan 8.150 nan 0.000 0.452 51 I N -0.283 120.338 120.570 0.085 0.000 2.193 51 I HA -0.165 4.006 4.170 0.002 0.000 0.240 51 I C 2.688 178.842 176.117 0.062 0.000 1.084 51 I CA 1.851 63.193 61.300 0.071 0.000 1.365 51 I CB -0.192 37.851 38.000 0.072 0.000 1.064 51 I HN 0.496 nan 8.210 nan 0.000 0.410 52 T N -2.976 111.622 114.554 0.074 0.000 3.015 52 T HA 0.293 4.645 4.350 0.002 0.000 0.250 52 T C 1.619 176.347 174.700 0.047 0.000 1.057 52 T CA 0.493 62.627 62.100 0.057 0.000 1.066 52 T CB 0.654 69.558 68.868 0.061 0.000 0.959 52 T HN 0.479 nan 8.240 nan 0.000 0.488 53 G N 1.720 110.558 108.800 0.063 0.000 2.179 53 G HA2 -0.296 3.665 3.960 0.002 0.000 0.260 53 G HA3 -0.296 3.665 3.960 0.002 0.000 0.260 53 G C 0.174 175.099 174.900 0.041 0.000 0.977 53 G CA 0.151 45.280 45.100 0.049 0.000 0.641 53 G HN 0.838 nan 8.290 nan 0.000 0.533 54 R N 0.389 120.922 120.500 0.054 0.000 2.537 54 R HA 0.597 4.938 4.340 0.002 0.000 0.280 54 R C 0.553 176.874 176.300 0.035 0.000 1.058 54 R CA -0.103 55.990 56.100 -0.012 0.000 1.057 54 R CB 0.240 30.505 30.300 -0.059 0.000 0.973 54 R HN 0.301 nan 8.270 nan 0.000 0.438 55 R N 2.829 123.289 120.500 -0.068 0.000 2.368 55 R HA 0.299 4.640 4.340 0.002 0.000 0.302 55 R C -1.164 175.098 176.300 -0.063 0.000 1.002 55 R CA -0.124 56.001 56.100 0.041 0.000 0.929 55 R CB 0.892 31.184 30.300 -0.012 0.000 1.073 55 R HN 0.552 nan 8.270 nan 0.000 0.464 56 Y N 2.786 123.150 120.300 0.108 0.000 2.341 56 Y HA 0.292 4.844 4.550 0.002 0.000 0.338 56 Y C -0.465 175.455 175.900 0.033 0.000 0.965 56 Y CA -1.065 57.045 58.100 0.016 0.000 1.108 56 Y CB 1.532 39.946 38.460 -0.078 0.000 1.180 56 Y HN 0.374 nan 8.280 nan 0.000 0.458 57 L N 4.409 125.669 121.223 0.061 0.000 2.418 57 L HA 0.214 4.555 4.340 0.002 0.000 0.274 57 L C -0.319 176.502 176.870 -0.081 0.000 1.135 57 L CA 0.147 54.869 54.840 -0.196 0.000 0.870 57 L CB 0.198 42.189 42.059 -0.113 0.000 1.154 57 L HN 0.582 nan 8.230 nan 0.000 0.462 58 D N 5.740 126.046 120.400 -0.158 0.000 2.467 58 D HA 0.204 4.845 4.640 0.002 0.000 0.220 58 D C 0.020 176.317 176.300 -0.004 0.000 1.103 58 D CA -0.194 53.791 54.000 -0.024 0.000 0.886 58 D CB 0.605 41.364 40.800 -0.068 0.000 1.025 58 D HN 0.482 nan 8.370 nan 0.000 0.514 59 M N 4.094 123.740 119.600 0.077 0.000 2.738 59 M HA 0.150 4.632 4.480 0.002 0.000 0.295 59 M C 0.166 176.542 176.300 0.127 0.000 1.266 59 M CA -0.157 55.209 55.300 0.109 0.000 0.985 59 M CB -0.466 32.238 32.600 0.174 0.000 1.365 59 M HN 0.483 nan 8.290 nan 0.000 0.492 60 F N 0.279 120.187 119.950 -0.070 0.000 2.640 60 F HA 0.100 4.628 4.527 0.002 0.000 0.285 60 F C 1.091 176.835 175.800 -0.093 0.000 1.031 60 F CA 1.061 59.017 58.000 -0.074 0.000 1.240 60 F CB 0.234 39.197 39.000 -0.060 0.000 1.011 60 F HN 0.296 nan 8.300 nan 0.000 0.656 61 T N 0.195 114.438 114.554 -0.518 0.000 3.795 61 T HA -0.328 4.024 4.350 0.002 0.000 0.370 61 T C -0.111 174.149 174.700 -0.734 0.000 0.761 61 T CA 0.603 62.349 62.100 -0.591 0.000 1.923 61 T CB -3.485 65.229 68.868 -0.257 0.000 1.795 61 T HN 0.792 nan 8.240 nan 0.000 0.762 62 F N -1.902 117.303 119.950 -1.242 0.000 2.969 62 F HA -0.155 4.374 4.527 0.002 0.000 0.273 62 F C 1.189 176.601 175.800 -0.647 0.000 0.986 62 F CA 0.226 57.668 58.000 -0.930 0.000 0.926 62 F CB -2.573 36.243 39.000 -0.306 0.000 0.887 62 F HN 1.063 nan 8.300 nan 0.000 0.816 63 V N -1.888 117.594 119.914 -0.720 0.000 5.961 63 V HA -0.090 4.031 4.120 0.002 0.000 0.311 63 V C 1.332 177.348 176.094 -0.129 0.000 0.552 63 V CA 0.948 63.124 62.300 -0.207 0.000 0.641 63 V CB -2.281 29.535 31.823 -0.011 0.000 0.286 63 V HN 2.380 nan 8.190 nan 0.000 0.939 64 A N -0.357 122.359 122.820 -0.174 0.000 2.847 64 A HA -0.231 4.090 4.320 0.002 0.000 0.263 64 A C 1.654 179.227 177.584 -0.017 0.000 1.391 64 A CA 1.999 53.992 52.037 -0.074 0.000 0.866 64 A CB -1.930 17.060 19.000 -0.017 0.000 1.057 64 A HN 2.347 nan 8.150 nan 0.000 0.673 65 S N -1.442 114.253 115.700 -0.008 0.000 2.556 65 S HA 0.509 4.981 4.470 0.002 0.000 0.216 65 S C 0.486 175.140 174.600 0.090 0.000 0.970 65 S CA 0.799 59.038 58.200 0.064 0.000 0.912 65 S CB 0.120 63.369 63.200 0.080 0.000 0.790 65 S HN 1.631 nan 8.310 nan 0.000 0.504 66 S N 0.496 116.232 115.700 0.061 0.000 2.566 66 S HA 0.732 5.203 4.470 0.002 0.000 0.324 66 S C 0.838 175.449 174.600 0.019 0.000 1.081 66 S CA -0.209 58.036 58.200 0.074 0.000 1.105 66 S CB 1.064 64.320 63.200 0.094 0.000 0.981 66 S HN 0.471 nan 8.310 nan 0.000 0.464 67 A N 4.818 127.654 122.820 0.027 0.000 1.930 67 A HA 0.239 4.561 4.320 0.002 0.000 0.215 67 A C 1.445 179.020 177.584 -0.016 0.000 1.176 67 A CA 0.774 52.813 52.037 0.004 0.000 0.632 67 A CB -0.293 18.711 19.000 0.006 0.000 0.819 67 A HN 0.790 nan 8.150 nan 0.000 0.445 68 L N -1.356 119.862 121.223 -0.009 0.000 2.693 68 L HA 0.376 4.718 4.340 0.002 0.000 0.235 68 L C 1.222 178.085 176.870 -0.012 0.000 1.127 68 L CA 0.158 54.985 54.840 -0.022 0.000 0.914 68 L CB -0.499 41.545 42.059 -0.025 0.000 1.193 68 L HN 0.583 nan 8.230 nan 0.000 0.502 69 G N 0.776 109.571 108.800 -0.008 0.000 2.693 69 G HA2 -0.222 3.740 3.960 0.002 0.000 0.226 69 G HA3 -0.222 3.740 3.960 0.002 0.000 0.226 69 G C -0.260 174.670 174.900 0.050 0.000 1.354 69 G CA -0.764 44.328 45.100 -0.012 0.000 0.873 69 G HN -0.090 nan 8.290 nan 0.000 0.562 70 M N 1.589 121.227 119.600 0.064 0.000 2.217 70 M HA 0.228 4.709 4.480 0.002 0.000 0.354 70 M C 1.000 177.361 176.300 0.102 0.000 1.225 70 M CA -0.064 55.309 55.300 0.123 0.000 1.137 70 M CB 0.202 32.887 32.600 0.142 0.000 1.576 70 M HN 0.739 nan 8.290 nan 0.000 0.461 71 N N 1.070 119.835 118.700 0.109 0.000 2.688 71 N HA -0.125 4.617 4.740 0.002 0.000 0.258 71 N C -2.476 173.081 175.510 0.079 0.000 1.016 71 N CA 0.274 53.383 53.050 0.098 0.000 0.747 71 N CB -1.453 37.090 38.487 0.094 0.000 0.895 71 N HN 0.392 nan 8.380 nan 0.000 0.543 72 P HA 0.129 nan 4.420 nan 0.000 0.271 72 P C -1.643 175.676 177.300 0.032 0.000 1.216 72 P CA -1.086 62.033 63.100 0.032 0.000 0.771 72 P CB 0.461 32.162 31.700 0.002 0.000 0.864 73 P HA -0.221 nan 4.420 nan 0.000 0.216 73 P C 1.412 178.713 177.300 0.001 0.000 1.153 73 P CA 2.113 65.225 63.100 0.020 0.000 0.858 73 P CB -0.387 31.317 31.700 0.006 0.000 0.789 74 A N -1.844 120.955 122.820 -0.035 0.000 2.076 74 A HA -0.150 4.172 4.320 0.002 0.000 0.220 74 A C 1.944 179.465 177.584 -0.106 0.000 1.160 74 A CA 1.495 53.486 52.037 -0.077 0.000 0.653 74 A CB -1.264 17.671 19.000 -0.108 0.000 0.801 74 A HN 0.120 nan 8.150 nan 0.000 0.455 75 L N -1.817 119.372 121.223 -0.058 0.000 2.286 75 L HA 0.074 4.415 4.340 0.002 0.000 0.203 75 L C 2.415 179.458 176.870 0.289 0.000 1.068 75 L CA 0.876 55.712 54.840 -0.006 0.000 0.811 75 L CB -0.415 41.653 42.059 0.014 0.000 0.989 75 L HN 0.129 nan 8.230 nan 0.000 0.467 76 V N -0.233 119.822 119.914 0.235 0.000 2.427 76 V HA -0.213 3.909 4.120 0.002 0.000 0.248 76 V C 1.338 177.579 176.094 0.245 0.000 1.051 76 V CA 1.625 64.121 62.300 0.328 0.000 1.048 76 V CB -0.433 31.500 31.823 0.183 0.000 0.666 76 V HN 0.400 nan 8.190 nan 0.000 0.456 77 D N -0.570 119.870 120.400 0.067 0.000 2.340 77 D HA 0.034 4.675 4.640 0.002 0.000 0.220 77 D C 0.585 176.805 176.300 -0.134 0.000 1.039 77 D CA 0.296 54.287 54.000 -0.015 0.000 0.866 77 D CB -0.045 40.752 40.800 -0.004 0.000 0.913 77 D HN 0.351 nan 8.370 nan 0.000 0.523 78 D N 0.299 120.565 120.400 -0.224 0.000 2.479 78 D HA 0.147 4.789 4.640 0.002 0.000 0.218 78 D C 1.517 177.595 176.300 -0.370 0.000 1.131 78 D CA -0.165 53.723 54.000 -0.186 0.000 0.916 78 D CB 0.380 41.155 40.800 -0.041 0.000 1.022 78 D HN -0.015 nan 8.370 nan 0.000 0.515 79 R N 3.455 123.797 120.500 -0.264 0.000 2.105 79 R HA -0.159 4.183 4.340 0.002 0.000 0.239 79 R C 1.757 178.016 176.300 -0.069 0.000 1.135 79 R CA 1.728 57.713 56.100 -0.191 0.000 0.967 79 R CB -1.025 29.238 30.300 -0.062 0.000 0.861 79 R HN 0.619 nan 8.270 nan 0.000 0.442 80 E N -0.812 119.375 120.200 -0.021 0.000 2.106 80 E HA -0.098 4.254 4.350 0.002 0.000 0.192 80 E C 1.925 178.570 176.600 0.076 0.000 0.984 80 E CA 1.145 57.563 56.400 0.030 0.000 0.806 80 E CB -0.248 29.476 29.700 0.040 0.000 0.750 80 E HN 0.606 nan 8.360 nan 0.000 0.458 81 F N 2.143 122.067 119.950 -0.044 0.000 2.146 81 F HA -0.175 4.353 4.527 0.002 0.000 0.298 81 F C 2.156 178.022 175.800 0.110 0.000 1.096 81 F CA 1.520 59.528 58.000 0.013 0.000 1.275 81 F CB -0.245 38.754 39.000 -0.002 0.000 1.008 81 F HN -0.021 nan 8.300 nan 0.000 0.480 82 H N 0.390 119.364 119.070 -0.160 0.000 2.321 82 H HA -0.142 4.415 4.556 0.002 0.000 0.295 82 H C 2.436 177.623 175.328 -0.235 0.000 1.102 82 H CA 1.398 57.306 56.048 -0.234 0.000 1.266 82 H CB -1.260 28.461 29.762 -0.068 0.000 1.363 82 H HN 0.372 nan 8.280 nan 0.000 0.492 83 A N 0.880 123.699 122.820 -0.001 0.000 1.902 83 A HA -0.189 4.133 4.320 0.002 0.000 0.217 83 A C 2.322 179.856 177.584 -0.084 0.000 1.181 83 A CA 1.813 53.830 52.037 -0.035 0.000 0.623 83 A CB -0.356 18.641 19.000 -0.005 0.000 0.818 83 A HN 0.533 nan 8.150 nan 0.000 0.443 84 E N -0.760 119.373 120.200 -0.111 0.000 2.047 84 E HA -0.147 4.204 4.350 0.002 0.000 0.191 84 E C 1.957 178.444 176.600 -0.189 0.000 0.987 84 E CA 1.115 57.452 56.400 -0.104 0.000 0.799 84 E CB -0.259 29.424 29.700 -0.029 0.000 0.752 84 E HN 0.489 nan 8.360 nan 0.000 0.449 85 L N 0.554 121.539 121.223 -0.397 0.000 2.012 85 L HA -0.188 4.154 4.340 0.002 0.000 0.210 85 L C 2.362 179.093 176.870 -0.232 0.000 1.073 85 L CA 1.666 56.263 54.840 -0.405 0.000 0.748 85 L CB -0.313 41.315 42.059 -0.719 0.000 0.891 85 L HN 0.145 nan 8.230 nan 0.000 0.431 86 M N -0.678 118.802 119.600 -0.201 0.000 2.080 86 M HA -0.270 4.212 4.480 0.002 0.000 0.260 86 M C 2.276 178.517 176.300 -0.099 0.000 1.068 86 M CA 1.857 57.077 55.300 -0.133 0.000 1.109 86 M CB -0.407 32.130 32.600 -0.105 0.000 1.342 86 M HN 0.360 nan 8.290 nan 0.000 0.405 87 Q N -0.915 118.834 119.800 -0.086 0.000 2.112 87 Q HA -0.200 4.141 4.340 0.002 0.000 0.206 87 Q C 2.060 178.022 176.000 -0.062 0.000 0.987 87 Q CA 1.901 57.668 55.803 -0.060 0.000 0.858 87 Q CB -0.415 28.297 28.738 -0.044 0.000 0.905 87 Q HN 0.706 nan 8.270 nan 0.000 0.420 88 A N 0.602 123.375 122.820 -0.079 0.000 1.897 88 A HA -0.018 4.304 4.320 0.002 0.000 0.215 88 A C 2.222 179.750 177.584 -0.093 0.000 1.181 88 A CA 1.372 53.362 52.037 -0.079 0.000 0.620 88 A CB -0.612 18.337 19.000 -0.086 0.000 0.821 88 A HN 0.394 nan 8.150 nan 0.000 0.443 89 A N -0.449 122.308 122.820 -0.105 0.000 2.014 89 A HA 0.088 4.410 4.320 0.002 0.000 0.218 89 A C 2.076 179.603 177.584 -0.095 0.000 1.163 89 A CA 1.154 53.126 52.037 -0.109 0.000 0.652 89 A CB -0.508 18.423 19.000 -0.115 0.000 0.808 89 A HN 0.449 nan 8.150 nan 0.000 0.449 90 L N -0.315 120.861 121.223 -0.079 0.000 2.131 90 L HA -0.095 4.247 4.340 0.002 0.000 0.210 90 L C 0.640 177.475 176.870 -0.058 0.000 1.092 90 L CA 0.713 55.515 54.840 -0.063 0.000 0.759 90 L CB -0.293 41.736 42.059 -0.050 0.000 0.903 90 L HN 0.438 nan 8.230 nan 0.000 0.435 91 N N -0.750 117.914 118.700 -0.060 0.000 2.653 91 N HA 0.283 5.024 4.740 0.002 0.000 0.294 91 N C -0.768 174.696 175.510 -0.078 0.000 1.305 91 N CA -0.586 52.435 53.050 -0.048 0.000 0.827 91 N CB 1.815 40.288 38.487 -0.023 0.000 1.415 91 N HN -0.159 nan 8.380 nan 0.000 0.546 92 K N 1.199 121.562 120.400 -0.062 0.000 2.814 92 K HA 0.355 4.677 4.320 0.002 0.000 0.205 92 K C -2.723 173.896 176.600 0.032 0.000 1.093 92 K CA -1.181 55.031 56.287 -0.125 0.000 1.035 92 K CB 0.676 32.977 32.500 -0.332 0.000 1.220 92 K HN 0.269 nan 8.250 nan 0.000 0.576 93 P HA 0.012 nan 4.420 nan 0.000 0.269 93 P C -0.779 176.668 177.300 0.246 0.000 1.215 93 P CA -0.295 62.876 63.100 0.119 0.000 0.780 93 P CB 0.819 32.555 31.700 0.060 0.000 0.898 94 S N 1.196 117.029 115.700 0.222 0.000 2.494 94 S HA 0.134 4.605 4.470 0.002 0.000 0.312 94 S C 0.853 175.519 174.600 0.110 0.000 1.121 94 S CA -0.657 57.662 58.200 0.199 0.000 1.068 94 S CB -0.512 62.717 63.200 0.048 0.000 1.141 94 S HN 0.269 nan 8.310 nan 0.000 0.527 95 N N 2.824 121.610 118.700 0.144 0.000 2.443 95 N HA -0.086 4.656 4.740 0.002 0.000 0.184 95 N C 1.360 176.978 175.510 0.180 0.000 1.037 95 N CA 0.695 53.833 53.050 0.147 0.000 0.896 95 N CB -0.322 38.254 38.487 0.148 0.000 0.959 95 N HN 0.583 nan 8.380 nan 0.000 0.442 96 S N 1.003 116.782 115.700 0.130 0.000 2.387 96 S HA -0.110 4.362 4.470 0.002 0.000 0.230 96 S C 1.146 175.792 174.600 0.076 0.000 1.035 96 S CA 1.249 59.528 58.200 0.132 0.000 1.014 96 S CB 0.033 63.279 63.200 0.077 0.000 0.836 96 S HN 0.461 nan 8.310 nan 0.000 0.466 97 D N -0.568 119.793 120.400 -0.064 0.000 2.482 97 D HA 0.165 4.807 4.640 0.002 0.000 0.251 97 D C -0.201 175.830 176.300 -0.449 0.000 1.073 97 D CA 0.415 54.300 54.000 -0.193 0.000 0.892 97 D CB 0.672 41.406 40.800 -0.110 0.000 1.202 97 D HN 0.172 nan 8.370 nan 0.000 0.496 98 V N 2.564 122.252 119.914 -0.377 0.000 2.409 98 V HA 0.252 4.373 4.120 0.002 0.000 0.290 98 V C -0.985 174.964 176.094 -0.242 0.000 1.017 98 V CA -0.917 61.175 62.300 -0.346 0.000 0.841 98 V CB 0.767 32.517 31.823 -0.122 0.000 1.003 98 V HN -0.048 nan 8.190 nan 0.000 0.426 99 Y N 2.208 122.539 120.300 0.053 0.000 2.335 99 Y HA 0.738 5.289 4.550 0.002 0.000 0.323 99 Y C 0.895 176.823 175.900 0.046 0.000 1.224 99 Y CA -0.965 57.168 58.100 0.055 0.000 1.241 99 Y CB 1.572 40.069 38.460 0.062 0.000 1.235 99 Y HN 0.740 nan 8.280 nan 0.000 0.492 100 S N -1.264 114.569 115.700 0.222 0.000 2.618 100 S HA 0.488 4.959 4.470 0.002 0.000 0.277 100 S C 0.056 174.725 174.600 0.115 0.000 1.138 100 S CA -0.830 57.447 58.200 0.130 0.000 0.844 100 S CB 1.278 64.531 63.200 0.088 0.000 1.127 100 S HN 0.286 nan 8.310 nan 0.000 0.474 101 V N 1.325 121.290 119.914 0.085 0.000 2.343 101 V HA -0.130 3.992 4.120 0.002 0.000 0.247 101 V C 2.964 179.105 176.094 0.078 0.000 1.051 101 V CA 2.549 64.893 62.300 0.073 0.000 1.036 101 V CB -1.563 30.295 31.823 0.058 0.000 0.654 101 V HN 1.020 nan 8.190 nan 0.000 0.451 102 A N -0.423 122.441 122.820 0.073 0.000 1.883 102 A HA -0.316 4.005 4.320 0.002 0.000 0.217 102 A C 2.299 179.944 177.584 0.103 0.000 1.186 102 A CA 2.567 54.650 52.037 0.076 0.000 0.624 102 A CB -0.548 18.478 19.000 0.044 0.000 0.822 102 A HN 0.531 nan 8.150 nan 0.000 0.444 103 M N -0.429 119.231 119.600 0.099 0.000 2.086 103 M HA -0.136 4.345 4.480 0.002 0.000 0.261 103 M C 2.294 178.687 176.300 0.156 0.000 1.067 103 M CA 1.896 57.272 55.300 0.127 0.000 1.116 103 M CB -0.286 32.392 32.600 0.128 0.000 1.348 103 M HN 0.409 nan 8.290 nan 0.000 0.407 104 A N 0.652 123.538 122.820 0.110 0.000 1.933 104 A HA -0.185 4.136 4.320 0.002 0.000 0.218 104 A C 2.054 179.682 177.584 0.072 0.000 1.175 104 A CA 1.796 53.878 52.037 0.074 0.000 0.628 104 A CB -0.690 18.341 19.000 0.052 0.000 0.814 104 A HN 0.618 nan 8.150 nan 0.000 0.444 105 R N -1.775 118.779 120.500 0.091 0.000 2.081 105 R HA -0.131 4.211 4.340 0.002 0.000 0.235 105 R C 2.011 178.375 176.300 0.108 0.000 1.131 105 R CA 1.617 57.769 56.100 0.087 0.000 0.960 105 R CB -0.549 29.809 30.300 0.096 0.000 0.856 105 R HN 0.643 nan 8.270 nan 0.000 0.436 106 F N 1.173 121.133 119.950 0.016 0.000 2.102 106 F HA -0.182 4.346 4.527 0.002 0.000 0.298 106 F C 1.921 177.745 175.800 0.041 0.000 1.105 106 F CA 1.263 59.269 58.000 0.009 0.000 1.239 106 F CB -0.367 38.596 39.000 -0.060 0.000 0.991 106 F HN -0.283 nan 8.300 nan 0.000 0.474 107 V N 1.890 121.657 119.914 -0.246 0.000 2.358 107 V HA -0.289 3.832 4.120 0.002 0.000 0.246 107 V C 2.458 178.477 176.094 -0.125 0.000 1.047 107 V CA 2.218 64.349 62.300 -0.282 0.000 1.035 107 V CB -1.035 30.791 31.823 0.006 0.000 0.658 107 V HN 0.596 nan 8.190 nan 0.000 0.452 108 E N 0.651 120.820 120.200 -0.053 0.000 2.150 108 E HA -0.237 4.115 4.350 0.002 0.000 0.193 108 E C 2.147 178.730 176.600 -0.029 0.000 0.985 108 E CA 1.710 58.100 56.400 -0.016 0.000 0.814 108 E CB -0.594 29.107 29.700 0.002 0.000 0.752 108 E HN 0.599 nan 8.360 nan 0.000 0.466 109 T N -0.876 113.643 114.554 -0.058 0.000 2.896 109 T HA -0.147 4.205 4.350 0.002 0.000 0.263 109 T C 1.577 176.229 174.700 -0.081 0.000 1.050 109 T CA 0.749 62.816 62.100 -0.056 0.000 1.140 109 T CB -0.515 68.336 68.868 -0.028 0.000 0.877 109 T HN 0.290 nan 8.240 nan 0.000 0.457 110 F N 2.367 122.118 119.950 -0.332 0.000 2.091 110 F HA 0.026 4.555 4.527 0.002 0.000 0.299 110 F C 2.606 178.336 175.800 -0.117 0.000 1.103 110 F CA 1.464 59.289 58.000 -0.292 0.000 1.228 110 F CB -0.918 37.755 39.000 -0.545 0.000 0.984 110 F HN 0.292 nan 8.300 nan 0.000 0.477 111 A N 0.376 123.311 122.820 0.190 0.000 1.902 111 A HA -0.214 4.107 4.320 0.002 0.000 0.217 111 A C 2.435 180.038 177.584 0.032 0.000 1.181 111 A CA 1.735 53.858 52.037 0.144 0.000 0.623 111 A CB -0.876 18.189 19.000 0.107 0.000 0.818 111 A HN 0.457 nan 8.150 nan 0.000 0.443 112 R N -0.365 120.131 120.500 -0.007 0.000 2.073 112 R HA -0.094 4.247 4.340 0.002 0.000 0.234 112 R C 1.888 178.157 176.300 -0.052 0.000 1.134 112 R CA 2.041 58.125 56.100 -0.026 0.000 0.952 112 R CB -0.312 29.969 30.300 -0.032 0.000 0.850 112 R HN 0.356 nan 8.270 nan 0.000 0.433 113 V N 0.577 120.428 119.914 -0.105 0.000 2.500 113 V HA -0.082 4.039 4.120 0.002 0.000 0.243 113 V C 1.964 177.985 176.094 -0.122 0.000 1.039 113 V CA 1.169 63.394 62.300 -0.125 0.000 1.053 113 V CB -0.020 31.697 31.823 -0.177 0.000 0.695 113 V HN 0.292 nan 8.190 nan 0.000 0.463 114 L N -0.240 120.831 121.223 -0.252 0.000 2.766 114 L HA 0.418 4.759 4.340 0.002 0.000 0.242 114 L C 1.367 178.295 176.870 0.097 0.000 1.136 114 L CA 0.054 54.756 54.840 -0.230 0.000 0.933 114 L CB -0.120 41.535 42.059 -0.673 0.000 1.241 114 L HN 0.373 nan 8.230 nan 0.000 0.522 115 G N -0.093 108.738 108.800 0.052 0.000 2.569 115 G HA2 0.152 4.114 3.960 0.002 0.000 0.249 115 G HA3 0.152 4.114 3.960 0.002 0.000 0.249 115 G C -1.130 173.862 174.900 0.153 0.000 1.216 115 G CA -0.025 45.161 45.100 0.145 0.000 0.845 115 G HN -0.001 nan 8.290 nan 0.000 0.568 116 D N 1.136 121.617 120.400 0.135 0.000 2.492 116 D HA 0.289 4.930 4.640 0.002 0.000 0.248 116 D C -1.320 175.008 176.300 0.046 0.000 1.101 116 D CA -1.947 52.122 54.000 0.115 0.000 0.840 116 D CB 2.496 43.391 40.800 0.160 0.000 1.209 116 D HN 0.085 nan 8.370 nan 0.000 0.524 117 P HA -0.120 nan 4.420 nan 0.000 0.219 117 P C 0.961 178.246 177.300 -0.026 0.000 1.146 117 P CA 0.679 63.779 63.100 0.001 0.000 0.808 117 P CB 0.267 31.972 31.700 0.009 0.000 0.779 118 A N -0.579 122.229 122.820 -0.018 0.000 2.119 118 A HA 0.048 4.370 4.320 0.002 0.000 0.217 118 A C 1.527 179.056 177.584 -0.092 0.000 1.153 118 A CA 0.598 52.607 52.037 -0.047 0.000 0.692 118 A CB -0.743 18.236 19.000 -0.035 0.000 0.799 118 A HN 0.205 nan 8.150 nan 0.000 0.458 119 L N 0.323 121.488 121.223 -0.097 0.000 2.637 119 L HA 0.258 4.599 4.340 0.002 0.000 0.241 119 L C -1.892 174.873 176.870 -0.174 0.000 1.398 119 L CA -1.155 53.598 54.840 -0.145 0.000 0.895 119 L CB 1.441 43.419 42.059 -0.134 0.000 1.183 119 L HN 0.106 nan 8.230 nan 0.000 0.497 120 P HA -0.057 nan 4.420 nan 0.000 0.235 120 P C 0.164 177.254 177.300 -0.349 0.000 1.177 120 P CA 0.605 63.525 63.100 -0.300 0.000 0.785 120 P CB 0.221 31.703 31.700 -0.364 0.000 0.885 121 H N 0.677 119.621 119.070 -0.210 0.000 2.742 121 H HA 0.285 4.842 4.556 0.002 0.000 0.302 121 H C 0.036 175.184 175.328 -0.299 0.000 1.069 121 H CA -0.343 55.524 56.048 -0.303 0.000 1.446 121 H CB 0.652 30.000 29.762 -0.689 0.000 1.462 121 H HN 0.002 nan 8.280 nan 0.000 0.499 122 L N 4.198 125.392 121.223 -0.048 0.000 2.334 122 L HA 0.401 4.743 4.340 0.002 0.000 0.276 122 L C -0.554 176.256 176.870 -0.101 0.000 1.014 122 L CA -0.730 54.013 54.840 -0.160 0.000 0.815 122 L CB 1.291 43.245 42.059 -0.176 0.000 1.268 122 L HN 0.484 nan 8.230 nan 0.000 0.428 123 F N 2.955 122.611 119.950 -0.490 0.000 2.588 123 F HA 0.674 5.203 4.527 0.002 0.000 0.314 123 F C -1.555 173.900 175.800 -0.576 0.000 1.134 123 F CA -0.736 57.077 58.000 -0.311 0.000 0.961 123 F CB 1.381 40.408 39.000 0.045 0.000 1.239 123 F HN 0.220 nan 8.300 nan 0.000 0.448 124 F N 5.365 124.965 119.950 -0.583 0.000 2.522 124 F HA 0.854 5.383 4.527 0.003 0.000 0.324 124 F C -0.517 174.976 175.800 -0.512 0.000 1.077 124 F CA -1.172 56.620 58.000 -0.345 0.000 0.944 124 F CB 1.939 40.882 39.000 -0.094 0.000 1.175 124 F HN 0.417 nan 8.300 nan 0.000 0.468 125 V N 0.978 120.883 119.914 -0.016 0.000 3.242 125 V HA 0.377 4.499 4.120 0.002 0.000 0.298 125 V C -1.347 174.798 176.094 0.084 0.000 1.352 125 V CA -0.768 61.540 62.300 0.013 0.000 1.052 125 V CB 2.491 34.357 31.823 0.071 0.000 1.101 125 V HN 0.784 nan 8.190 nan 0.000 0.446 126 E N 2.278 122.539 120.200 0.103 0.000 2.259 126 E HA 0.571 4.922 4.350 0.002 0.000 0.281 126 E C 0.015 176.671 176.600 0.093 0.000 1.037 126 E CA 0.531 56.987 56.400 0.095 0.000 0.854 126 E CB 1.291 31.057 29.700 0.110 0.000 1.051 126 E HN 1.385 nan 8.360 nan 0.000 0.409 127 G N 1.598 110.451 108.800 0.088 0.000 3.069 127 G HA2 -0.099 3.862 3.960 0.002 0.000 0.686 127 G HA3 -0.099 3.862 3.960 0.002 0.000 0.686 127 G C 0.531 175.484 174.900 0.090 0.000 1.161 127 G CA -0.586 44.566 45.100 0.087 0.000 0.804 127 G HN 0.633 nan 8.290 nan 0.000 0.608 128 G N 0.798 109.663 108.800 0.108 0.000 2.402 128 G HA2 0.285 4.246 3.960 0.002 0.000 0.216 128 G HA3 0.285 4.246 3.960 0.002 0.000 0.216 128 G C 2.094 177.052 174.900 0.096 0.000 1.162 128 G CA 2.400 47.570 45.100 0.116 0.000 0.777 128 G HN 2.003 nan 8.290 nan 0.000 0.539 129 A N 0.288 123.164 122.820 0.092 0.000 1.933 129 A HA 0.064 4.385 4.320 0.002 0.000 0.218 129 A C 2.300 179.920 177.584 0.060 0.000 1.175 129 A CA 1.348 53.424 52.037 0.066 0.000 0.628 129 A CB -0.363 18.664 19.000 0.044 0.000 0.814 129 A HN 0.315 nan 8.150 nan 0.000 0.444 130 L N -0.646 120.616 121.223 0.064 0.000 2.217 130 L HA 0.003 4.344 4.340 0.002 0.000 0.211 130 L C 2.828 179.739 176.870 0.069 0.000 1.107 130 L CA 1.478 56.362 54.840 0.072 0.000 0.783 130 L CB -0.947 41.163 42.059 0.084 0.000 0.919 130 L HN 0.396 nan 8.230 nan 0.000 0.442 131 A N -1.091 121.753 122.820 0.039 0.000 1.877 131 A HA -0.172 4.149 4.320 0.002 0.000 0.216 131 A C 2.324 179.888 177.584 -0.034 0.000 1.186 131 A CA 2.069 54.092 52.037 -0.023 0.000 0.620 131 A CB -0.932 18.002 19.000 -0.110 0.000 0.822 131 A HN 0.205 nan 8.150 nan 0.000 0.443 132 V N 0.279 120.185 119.914 -0.013 0.000 2.343 132 V HA -0.261 3.861 4.120 0.002 0.000 0.247 132 V C 2.407 178.472 176.094 -0.048 0.000 1.051 132 V CA 2.168 64.441 62.300 -0.046 0.000 1.036 132 V CB -0.914 30.898 31.823 -0.019 0.000 0.654 132 V HN 0.600 nan 8.190 nan 0.000 0.451 133 E N 0.217 120.437 120.200 0.034 0.000 2.118 133 E HA -0.221 4.130 4.350 0.002 0.000 0.195 133 E C 2.055 178.679 176.600 0.040 0.000 0.992 133 E CA 1.260 57.728 56.400 0.113 0.000 0.804 133 E CB -0.253 29.550 29.700 0.173 0.000 0.741 133 E HN 0.618 nan 8.360 nan 0.000 0.458 134 N N 0.445 119.141 118.700 -0.006 0.000 2.270 134 N HA -0.075 4.666 4.740 0.002 0.000 0.181 134 N C 1.804 177.220 175.510 -0.158 0.000 1.016 134 N CA 0.866 53.862 53.050 -0.090 0.000 0.870 134 N CB -0.006 38.437 38.487 -0.074 0.000 0.979 134 N HN 0.081 nan 8.380 nan 0.000 0.431 135 A N 1.868 124.604 122.820 -0.140 0.000 1.883 135 A HA -0.100 4.221 4.320 0.002 0.000 0.217 135 A C 2.368 179.754 177.584 -0.329 0.000 1.186 135 A CA 0.973 52.895 52.037 -0.192 0.000 0.624 135 A CB -0.765 18.115 19.000 -0.201 0.000 0.822 135 A HN 0.176 nan 8.150 nan 0.000 0.444 136 L N -0.809 120.175 121.223 -0.398 0.000 2.012 136 L HA -0.242 4.099 4.340 0.002 0.000 0.210 136 L C 2.608 178.946 176.870 -0.886 0.000 1.073 136 L CA 2.012 56.393 54.840 -0.764 0.000 0.748 136 L CB -0.637 41.004 42.059 -0.697 0.000 0.891 136 L HN 0.358 nan 8.230 nan 0.000 0.431 137 K N 0.294 120.489 120.400 -0.342 0.000 2.063 137 K HA -0.190 4.131 4.320 0.002 0.000 0.208 137 K C 2.264 178.751 176.600 -0.189 0.000 1.048 137 K CA 1.499 57.728 56.287 -0.096 0.000 0.928 137 K CB -0.378 32.122 32.500 0.000 0.000 0.713 137 K HN 0.312 nan 8.250 nan 0.000 0.442 138 A N 1.511 124.169 122.820 -0.269 0.000 1.908 138 A HA -0.185 4.136 4.320 0.002 0.000 0.218 138 A C 2.382 179.884 177.584 -0.138 0.000 1.181 138 A CA 2.068 53.966 52.037 -0.232 0.000 0.627 138 A CB -0.773 18.141 19.000 -0.143 0.000 0.818 138 A HN 0.365 nan 8.150 nan 0.000 0.445 139 A N -1.196 121.455 122.820 -0.281 0.000 1.897 139 A HA 0.111 4.432 4.320 0.002 0.000 0.215 139 A C 1.894 179.423 177.584 -0.091 0.000 1.181 139 A CA 1.436 53.320 52.037 -0.255 0.000 0.620 139 A CB -0.685 18.027 19.000 -0.480 0.000 0.821 139 A HN 0.424 nan 8.150 nan 0.000 0.443 140 F N 0.400 120.286 119.950 -0.106 0.000 2.134 140 F HA -0.127 4.401 4.527 0.002 0.000 0.299 140 F C 2.057 177.839 175.800 -0.030 0.000 1.097 140 F CA 1.313 59.250 58.000 -0.106 0.000 1.264 140 F CB -1.037 37.858 39.000 -0.174 0.000 1.001 140 F HN 0.442 nan 8.300 nan 0.000 0.479 141 D N -1.303 119.192 120.400 0.157 0.000 2.117 141 D HA -0.265 4.377 4.640 0.002 0.000 0.198 141 D C 2.185 178.549 176.300 0.108 0.000 0.982 141 D CA 1.255 55.306 54.000 0.085 0.000 0.828 141 D CB -0.420 40.387 40.800 0.011 0.000 0.967 141 D HN 0.286 nan 8.370 nan 0.000 0.464 142 W N 1.114 122.388 121.300 -0.042 0.000 2.335 142 W HA -0.195 4.466 4.660 0.002 0.000 0.311 142 W C 2.257 178.787 176.519 0.019 0.000 1.213 142 W CA 1.739 59.070 57.345 -0.023 0.000 1.274 142 W CB -0.218 29.207 29.460 -0.058 0.000 1.148 142 W HN -0.141 nan 8.180 nan 0.000 0.498 143 K N 0.302 120.886 120.400 0.308 0.000 2.057 143 K HA -0.177 4.144 4.320 0.002 0.000 0.207 143 K C 2.377 178.987 176.600 0.016 0.000 1.049 143 K CA 2.046 58.429 56.287 0.159 0.000 0.931 143 K CB -1.003 31.645 32.500 0.246 0.000 0.714 143 K HN 0.101 nan 8.250 nan 0.000 0.440 144 S N 0.058 115.779 115.700 0.035 0.000 2.353 144 S HA -0.152 4.320 4.470 0.002 0.000 0.222 144 S C 1.938 176.505 174.600 -0.056 0.000 1.035 144 S CA 1.471 59.670 58.200 -0.002 0.000 1.025 144 S CB -0.186 63.020 63.200 0.009 0.000 0.902 144 S HN 0.393 nan 8.310 nan 0.000 0.440 145 R N -0.404 120.041 120.500 -0.090 0.000 2.092 145 R HA -0.042 4.299 4.340 0.002 0.000 0.231 145 R C 2.551 178.738 176.300 -0.187 0.000 1.119 145 R CA 1.362 57.384 56.100 -0.130 0.000 0.970 145 R CB -0.701 29.522 30.300 -0.128 0.000 0.864 145 R HN 0.584 nan 8.270 nan 0.000 0.440 146 H N 1.301 120.111 119.070 -0.434 0.000 2.321 146 H HA -0.062 4.495 4.556 0.002 0.000 0.300 146 H C 1.471 176.658 175.328 -0.235 0.000 1.087 146 H CA 1.524 57.277 56.048 -0.492 0.000 1.319 146 H CB 0.164 29.303 29.762 -1.040 0.000 1.379 146 H HN 0.113 nan 8.280 nan 0.000 0.501 147 N N 1.016 119.648 118.700 -0.113 0.000 2.037 147 N HA -0.213 4.528 4.740 0.002 0.000 0.196 147 N C 2.128 177.578 175.510 -0.100 0.000 1.034 147 N CA 1.464 54.453 53.050 -0.102 0.000 0.861 147 N CB -0.726 37.730 38.487 -0.051 0.000 1.039 147 N HN 0.554 nan 8.380 nan 0.000 0.427 148 Q N 0.171 119.917 119.800 -0.090 0.000 2.096 148 Q HA -0.064 4.278 4.340 0.002 0.000 0.204 148 Q C 1.697 177.637 176.000 -0.100 0.000 0.982 148 Q CA 1.782 57.534 55.803 -0.084 0.000 0.850 148 Q CB -0.134 28.559 28.738 -0.076 0.000 0.901 148 Q HN 0.408 nan 8.270 nan 0.000 0.422 149 A N -0.464 122.286 122.820 -0.117 0.000 2.121 149 A HA -0.122 4.199 4.320 0.002 0.000 0.218 149 A C 0.918 178.326 177.584 -0.294 0.000 1.154 149 A CA 0.953 52.881 52.037 -0.182 0.000 0.679 149 A CB -0.319 18.561 19.000 -0.199 0.000 0.795 149 A HN 0.522 nan 8.150 nan 0.000 0.458 150 H N -1.641 117.266 119.070 -0.272 0.000 2.486 150 H HA 0.298 4.855 4.556 0.002 0.000 0.284 150 H C 1.380 176.600 175.328 -0.180 0.000 1.103 150 H CA 0.187 56.091 56.048 -0.239 0.000 1.089 150 H CB 0.201 29.780 29.762 -0.306 0.000 1.603 150 H HN 0.588 nan 8.280 nan 0.000 0.557 151 G N 1.792 110.545 108.800 -0.078 0.000 2.155 151 G HA2 -0.294 3.668 3.960 0.002 0.000 0.257 151 G HA3 -0.294 3.668 3.960 0.002 0.000 0.257 151 G C 0.200 175.053 174.900 -0.078 0.000 0.983 151 G CA 0.232 45.288 45.100 -0.073 0.000 0.676 151 G HN 0.354 nan 8.290 nan 0.000 0.528 152 I N 0.595 121.102 120.570 -0.104 0.000 2.428 152 I HA 0.272 4.444 4.170 0.002 0.000 0.296 152 I C 0.532 176.605 176.117 -0.073 0.000 0.985 152 I CA -0.938 60.285 61.300 -0.130 0.000 1.260 152 I CB 1.084 38.921 38.000 -0.271 0.000 1.389 152 I HN 0.030 nan 8.210 nan 0.000 0.484 153 D N 8.214 128.590 120.400 -0.040 0.000 2.581 153 D HA -0.034 4.608 4.640 0.002 0.000 0.238 153 D C -1.423 174.867 176.300 -0.016 0.000 1.145 153 D CA -1.380 52.609 54.000 -0.018 0.000 0.866 153 D CB 0.914 41.717 40.800 0.005 0.000 1.151 153 D HN 0.245 nan 8.370 nan 0.000 0.500 154 P HA -0.090 nan 4.420 nan 0.000 0.228 154 P C 0.711 178.006 177.300 -0.009 0.000 1.151 154 P CA 0.588 63.676 63.100 -0.021 0.000 0.770 154 P CB 0.130 31.813 31.700 -0.028 0.000 0.786 155 A N -0.536 122.282 122.820 -0.003 0.000 2.119 155 A HA 0.052 4.374 4.320 0.002 0.000 0.216 155 A C 1.317 178.905 177.584 0.007 0.000 1.152 155 A CA 0.347 52.384 52.037 -0.000 0.000 0.708 155 A CB -0.795 18.207 19.000 0.005 0.000 0.805 155 A HN 0.173 nan 8.150 nan 0.000 0.460 156 L N -0.904 120.332 121.223 0.022 0.000 2.375 156 L HA 0.550 4.891 4.340 0.002 0.000 0.271 156 L C 1.003 177.902 176.870 0.048 0.000 1.107 156 L CA 0.453 55.320 54.840 0.046 0.000 0.806 156 L CB 1.140 43.250 42.059 0.086 0.000 1.146 156 L HN 0.388 nan 8.230 nan 0.000 0.447 157 G N 0.470 109.302 108.800 0.053 0.000 2.462 157 G HA2 -0.155 3.807 3.960 0.002 0.000 0.124 157 G HA3 -0.155 3.807 3.960 0.002 0.000 0.124 157 G C 0.174 175.098 174.900 0.039 0.000 1.062 157 G CA -0.039 45.107 45.100 0.076 0.000 0.764 157 G HN 0.745 nan 8.290 nan 0.000 0.485 158 T N -3.264 111.251 114.554 -0.065 0.000 3.043 158 T HA 0.443 4.795 4.350 0.002 0.000 0.272 158 T C 0.553 175.029 174.700 -0.373 0.000 0.990 158 T CA 0.202 62.114 62.100 -0.313 0.000 0.897 158 T CB 0.533 69.248 68.868 -0.255 0.000 1.111 158 T HN 0.509 nan 8.240 nan 0.000 0.529 159 Q N 0.721 120.360 119.800 -0.268 0.000 2.297 159 Q HA 0.739 5.081 4.340 0.002 0.000 0.268 159 Q C -1.387 174.205 176.000 -0.679 0.000 1.045 159 Q CA -1.146 54.287 55.803 -0.615 0.000 0.861 159 Q CB 2.940 31.566 28.738 -0.185 0.000 1.344 159 Q HN 0.109 nan 8.270 nan 0.000 0.452 160 V N 2.151 121.475 119.914 -0.983 0.000 2.443 160 V HA 0.233 4.354 4.120 0.002 0.000 0.293 160 V C -0.806 175.213 176.094 -0.124 0.000 1.021 160 V CA -0.762 61.187 62.300 -0.585 0.000 0.848 160 V CB 1.510 32.843 31.823 -0.816 0.000 0.998 160 V HN 0.570 nan 8.190 nan 0.000 0.424 161 L N 6.407 127.594 121.223 -0.061 0.000 2.380 161 L HA 0.638 4.980 4.340 0.002 0.000 0.273 161 L C -0.052 177.010 176.870 0.321 0.000 1.138 161 L CA 0.796 55.694 54.840 0.096 0.000 0.832 161 L CB 0.192 42.227 42.059 -0.040 0.000 1.124 161 L HN 0.953 nan 8.230 nan 0.000 0.454 162 H N 2.255 121.446 119.070 0.201 0.000 2.933 162 H HA 0.661 5.219 4.556 0.003 0.000 0.310 162 H C -1.516 173.992 175.328 0.300 0.000 1.351 162 H CA -1.321 54.844 56.048 0.195 0.000 1.137 162 H CB 0.649 30.493 29.762 0.137 0.000 1.853 162 H HN 0.463 nan 8.280 nan 0.000 0.539 163 L N 1.301 122.714 121.223 0.315 0.000 2.344 163 L HA 0.514 4.856 4.340 0.002 0.000 0.272 163 L C 0.415 177.425 176.870 0.232 0.000 1.035 163 L CA -1.125 53.877 54.840 0.270 0.000 0.807 163 L CB 1.534 43.806 42.059 0.354 0.000 1.237 163 L HN 0.516 nan 8.230 nan 0.000 0.442 164 R N 0.955 121.564 120.500 0.182 0.000 2.643 164 R HA 0.216 4.557 4.340 0.002 0.000 0.270 164 R C 0.937 177.373 176.300 0.226 0.000 1.061 164 R CA 0.701 56.911 56.100 0.184 0.000 1.107 164 R CB 0.287 30.678 30.300 0.150 0.000 0.999 164 R HN 0.982 nan 8.270 nan 0.000 0.460 165 G N 0.505 109.422 108.800 0.196 0.000 2.162 165 G HA2 -0.327 3.634 3.960 0.002 0.000 0.260 165 G HA3 -0.327 3.634 3.960 0.002 0.000 0.260 165 G C 0.246 175.251 174.900 0.174 0.000 0.976 165 G CA 0.193 45.395 45.100 0.170 0.000 0.655 165 G HN 0.877 nan 8.290 nan 0.000 0.533 166 A N -0.371 122.565 122.820 0.194 0.000 2.425 166 A HA 0.655 4.977 4.320 0.002 0.000 0.249 166 A C -0.374 177.229 177.584 0.031 0.000 1.084 166 A CA 0.326 52.416 52.037 0.088 0.000 0.781 166 A CB 0.474 19.566 19.000 0.154 0.000 1.019 166 A HN 1.425 nan 8.150 nan 0.000 0.490 167 F N 2.476 122.264 119.950 -0.270 0.000 2.499 167 F HA 0.502 5.031 4.527 0.002 0.000 0.333 167 F C 0.280 175.876 175.800 -0.340 0.000 1.138 167 F CA -0.479 57.409 58.000 -0.187 0.000 0.945 167 F CB 1.331 40.294 39.000 -0.061 0.000 1.181 167 F HN 0.690 nan 8.300 nan 0.000 0.435 168 H N 3.943 122.759 119.070 -0.423 0.000 3.058 168 H HA 0.471 5.028 4.556 0.002 0.000 0.266 168 H C 0.783 175.894 175.328 -0.362 0.000 1.135 168 H CA 0.389 56.297 56.048 -0.234 0.000 1.174 168 H CB 0.828 30.527 29.762 -0.105 0.000 1.581 168 H HN 0.823 nan 8.280 nan 0.000 0.553 169 G N 0.841 109.153 108.800 -0.813 0.000 2.343 169 G HA2 -0.089 3.873 3.960 0.002 0.000 0.465 169 G HA3 -0.089 3.873 3.960 0.002 0.000 0.465 169 G C -0.460 174.243 174.900 -0.328 0.000 1.282 169 G CA -0.990 43.853 45.100 -0.427 0.000 0.996 169 G HN 0.192 nan 8.290 nan 0.000 0.521 170 R N -0.027 120.410 120.500 -0.106 0.000 2.662 170 R HA 0.412 4.754 4.340 0.002 0.000 0.396 170 R C 0.975 177.226 176.300 -0.083 0.000 1.096 170 R CA 0.406 56.466 56.100 -0.067 0.000 1.081 170 R CB 0.803 31.109 30.300 0.009 0.000 1.382 170 R HN 0.758 nan 8.270 nan 0.000 0.580 171 S N -1.874 113.793 115.700 -0.055 0.000 2.730 171 S HA 0.401 4.873 4.470 0.002 0.000 0.284 171 S C 1.492 176.066 174.600 -0.044 0.000 1.153 171 S CA -0.313 57.853 58.200 -0.056 0.000 0.995 171 S CB 1.549 64.738 63.200 -0.019 0.000 1.058 171 S HN 0.140 nan 8.310 nan 0.000 0.552 172 G N 0.072 108.824 108.800 -0.080 0.000 2.513 172 G HA2 -0.209 3.753 3.960 0.002 0.000 0.219 172 G HA3 -0.209 3.753 3.960 0.002 0.000 0.219 172 G C 0.973 175.919 174.900 0.076 0.000 1.160 172 G CA 1.099 46.151 45.100 -0.081 0.000 0.767 172 G HN 0.719 nan 8.290 nan 0.000 0.571 173 Y N 1.367 121.763 120.300 0.160 0.000 2.286 173 Y HA -0.005 4.547 4.550 0.003 0.000 0.293 173 Y C 3.288 179.313 175.900 0.208 0.000 1.124 173 Y CA 1.164 59.427 58.100 0.272 0.000 1.178 173 Y CB -0.948 37.718 38.460 0.344 0.000 1.010 173 Y HN 0.331 nan 8.280 nan 0.000 0.536 174 T N -2.629 112.078 114.554 0.255 0.000 3.035 174 T HA -0.066 4.285 4.350 0.002 0.000 0.268 174 T C 1.776 176.514 174.700 0.063 0.000 1.109 174 T CA 0.540 62.720 62.100 0.133 0.000 1.119 174 T CB -0.427 68.469 68.868 0.047 0.000 0.900 174 T HN 0.011 nan 8.240 nan 0.000 0.503 175 L N 1.758 123.016 121.223 0.058 0.000 2.275 175 L HA 0.176 4.517 4.340 0.002 0.000 0.215 175 L C 2.469 179.377 176.870 0.063 0.000 1.119 175 L CA 0.948 55.816 54.840 0.046 0.000 0.790 175 L CB -1.253 40.828 42.059 0.036 0.000 0.919 175 L HN 0.316 nan 8.230 nan 0.000 0.443 176 S N -1.190 114.553 115.700 0.071 0.000 2.562 176 S HA 0.134 4.606 4.470 0.002 0.000 0.221 176 S C 1.764 176.387 174.600 0.039 0.000 0.975 176 S CA 0.296 58.509 58.200 0.021 0.000 0.918 176 S CB 0.303 63.401 63.200 -0.170 0.000 0.772 176 S HN 0.334 nan 8.310 nan 0.000 0.531 177 L N -0.025 121.213 121.223 0.025 0.000 2.433 177 L HA 0.156 4.497 4.340 0.002 0.000 0.200 177 L C 0.608 177.535 176.870 0.095 0.000 1.059 177 L CA 0.318 55.075 54.840 -0.138 0.000 0.835 177 L CB -0.716 41.336 42.059 -0.012 0.000 1.076 177 L HN 0.033 nan 8.230 nan 0.000 0.481 178 T N 3.616 118.208 114.554 0.064 0.000 2.871 178 T HA 0.051 4.402 4.350 0.002 0.000 0.296 178 T C 0.172 174.945 174.700 0.120 0.000 0.998 178 T CA 0.209 62.322 62.100 0.022 0.000 1.162 178 T CB -0.226 68.548 68.868 -0.157 0.000 0.947 178 T HN 0.391 nan 8.240 nan 0.000 0.536 179 N N 1.759 120.556 118.700 0.162 0.000 2.751 179 N HA 0.099 4.841 4.740 0.002 0.000 0.234 179 N C 0.035 175.641 175.510 0.160 0.000 1.403 179 N CA -0.571 52.580 53.050 0.167 0.000 0.747 179 N CB 0.900 39.504 38.487 0.194 0.000 1.326 179 N HN 0.599 nan 8.380 nan 0.000 0.532 180 T N -1.488 113.164 114.554 0.164 0.000 3.257 180 T HA 0.296 4.648 4.350 0.002 0.000 0.176 180 T C 0.218 174.982 174.700 0.106 0.000 0.892 180 T CA 0.145 62.328 62.100 0.138 0.000 1.147 180 T CB 0.252 69.215 68.868 0.159 0.000 1.840 180 T HN -0.016 nan 8.240 nan 0.000 0.375 181 K N 2.730 123.195 120.400 0.109 0.000 2.276 181 K HA 0.333 4.655 4.320 0.002 0.000 0.283 181 K C -2.039 174.612 176.600 0.085 0.000 1.044 181 K CA -2.225 54.110 56.287 0.080 0.000 0.944 181 K CB 1.195 33.737 32.500 0.070 0.000 1.012 181 K HN 0.151 nan 8.250 nan 0.000 0.472 182 P HA -0.128 nan 4.420 nan 0.000 0.217 182 P C 0.931 178.251 177.300 0.033 0.000 1.148 182 P CA 1.246 64.370 63.100 0.040 0.000 0.828 182 P CB 0.257 31.968 31.700 0.018 0.000 0.783 183 T N -0.506 114.072 114.554 0.040 0.000 2.778 183 T HA -0.162 4.190 4.350 0.002 0.000 0.269 183 T C 1.649 176.412 174.700 0.106 0.000 1.050 183 T CA 1.132 63.259 62.100 0.046 0.000 1.137 183 T CB -0.846 68.052 68.868 0.049 0.000 0.860 183 T HN 0.155 nan 8.240 nan 0.000 0.468 184 I N 1.333 121.991 120.570 0.148 0.000 2.315 184 I HA -0.113 4.058 4.170 0.002 0.000 0.248 184 I C 2.578 178.882 176.117 0.312 0.000 1.117 184 I CA 1.444 62.880 61.300 0.227 0.000 1.404 184 I CB -0.364 37.778 38.000 0.237 0.000 1.071 184 I HN 0.388 nan 8.210 nan 0.000 0.419 185 T N -2.228 112.452 114.554 0.210 0.000 2.959 185 T HA 0.424 4.775 4.350 0.002 0.000 0.254 185 T C 0.866 175.575 174.700 0.015 0.000 1.003 185 T CA -0.016 62.222 62.100 0.231 0.000 0.950 185 T CB -0.058 68.896 68.868 0.145 0.000 1.090 185 T HN 0.142 nan 8.240 nan 0.000 0.503 186 A N 2.215 124.943 122.820 -0.154 0.000 2.511 186 A HA 0.501 4.822 4.320 0.002 0.000 0.242 186 A C 0.992 178.218 177.584 -0.597 0.000 1.069 186 A CA -0.033 51.843 52.037 -0.268 0.000 0.763 186 A CB -0.390 18.496 19.000 -0.189 0.000 1.001 186 A HN 0.565 nan 8.150 nan 0.000 0.498 187 R N -1.086 119.178 120.500 -0.394 0.000 3.994 187 R HA -0.178 4.163 4.340 0.002 0.000 0.403 187 R C -1.239 174.844 176.300 -0.362 0.000 1.126 187 R CA 1.288 57.154 56.100 -0.390 0.000 1.143 187 R CB -2.334 27.721 30.300 -0.407 0.000 1.695 187 R HN 0.500 nan 8.270 nan 0.000 0.555 188 F N 2.100 122.026 119.950 -0.040 0.000 2.436 188 F HA 0.420 4.948 4.527 0.002 0.000 0.340 188 F C -1.452 174.295 175.800 -0.089 0.000 1.113 188 F CA -3.248 54.718 58.000 -0.056 0.000 1.022 188 F CB 0.389 39.363 39.000 -0.042 0.000 1.128 188 F HN -0.233 nan 8.300 nan 0.000 0.466 189 P HA 0.204 nan 4.420 nan 0.000 0.269 189 P C -1.022 176.180 177.300 -0.163 0.000 1.209 189 P CA -0.242 62.809 63.100 -0.083 0.000 0.776 189 P CB 1.002 32.621 31.700 -0.135 0.000 0.876 190 K N 1.307 121.559 120.400 -0.247 0.000 2.482 190 K HA 0.509 4.830 4.320 0.002 0.000 0.257 190 K C -0.543 175.755 176.600 -0.505 0.000 0.969 190 K CA -0.680 55.425 56.287 -0.304 0.000 0.842 190 K CB 1.409 33.828 32.500 -0.136 0.000 1.359 190 K HN 0.215 nan 8.250 nan 0.000 0.441 191 F N 0.795 120.433 119.950 -0.521 0.000 2.371 191 F HA 0.098 4.626 4.527 0.002 0.000 0.329 191 F C 0.813 176.284 175.800 -0.548 0.000 1.107 191 F CA -0.299 57.279 58.000 -0.703 0.000 1.137 191 F CB 0.639 38.713 39.000 -1.544 0.000 1.214 191 F HN 0.465 nan 8.300 nan 0.000 0.536 192 D N 2.505 122.833 120.400 -0.121 0.000 2.468 192 D HA 0.108 4.749 4.640 0.002 0.000 0.218 192 D C -1.293 175.127 176.300 0.200 0.000 1.155 192 D CA -0.127 53.889 54.000 0.027 0.000 0.924 192 D CB -0.012 40.819 40.800 0.052 0.000 1.029 192 D HN 0.150 nan 8.370 nan 0.000 0.515 193 W N 4.279 125.691 121.300 0.185 0.000 2.570 193 W HA 0.393 5.054 4.660 0.002 0.000 0.337 193 W C -2.056 174.575 176.519 0.186 0.000 1.067 193 W CA -3.049 54.400 57.345 0.174 0.000 1.229 193 W CB 0.750 30.320 29.460 0.184 0.000 1.355 193 W HN 0.258 nan 8.180 nan 0.000 0.555 194 P HA 0.226 nan 4.420 nan 0.000 0.276 194 P C -0.614 176.656 177.300 -0.050 0.000 1.230 194 P CA -0.210 62.945 63.100 0.091 0.000 0.776 194 P CB 1.372 33.054 31.700 -0.029 0.000 0.888 195 R N 3.568 123.979 120.500 -0.149 0.000 2.561 195 R HA 0.631 4.973 4.340 0.002 0.000 0.297 195 R C -0.322 175.896 176.300 -0.136 0.000 0.969 195 R CA -0.863 55.018 56.100 -0.365 0.000 0.879 195 R CB 0.970 31.102 30.300 -0.279 0.000 1.178 195 R HN 0.577 nan 8.270 nan 0.000 0.445 196 I N -0.432 120.089 120.570 -0.082 0.000 2.797 196 I HA 0.529 4.701 4.170 0.002 0.000 0.307 196 I C -0.716 175.430 176.117 0.047 0.000 1.033 196 I CA -1.210 60.090 61.300 0.000 0.000 1.071 196 I CB 1.928 39.940 38.000 0.021 0.000 1.255 196 I HN 0.412 nan 8.210 nan 0.000 0.445 197 D N 3.118 123.542 120.400 0.039 0.000 2.449 197 D HA 0.286 4.928 4.640 0.002 0.000 0.236 197 D C -0.055 176.283 176.300 0.062 0.000 1.149 197 D CA 0.429 54.459 54.000 0.050 0.000 0.878 197 D CB 1.238 42.044 40.800 0.010 0.000 1.198 197 D HN 0.759 nan 8.370 nan 0.000 0.446 198 A N 3.388 126.293 122.820 0.141 0.000 2.253 198 A HA 0.413 4.735 4.320 0.002 0.000 0.316 198 A C -2.067 175.631 177.584 0.191 0.000 1.327 198 A CA -1.289 50.905 52.037 0.261 0.000 0.917 198 A CB 0.683 20.008 19.000 0.543 0.000 1.162 198 A HN 0.290 nan 8.150 nan 0.000 0.535 199 P HA 0.161 nan 4.420 nan 0.000 0.218 199 P C -0.816 176.438 177.300 -0.077 0.000 1.793 199 P CA -0.078 62.892 63.100 -0.217 0.000 0.941 199 P CB -0.982 30.450 31.700 -0.447 0.000 1.919 200 Y N -1.272 119.002 120.300 -0.042 0.000 2.326 200 Y HA 0.431 4.984 4.550 0.003 0.000 0.333 200 Y C 0.834 176.645 175.900 -0.150 0.000 1.240 200 Y CA -1.676 56.228 58.100 -0.326 0.000 1.365 200 Y CB 0.089 38.201 38.460 -0.579 0.000 1.289 200 Y HN -0.143 nan 8.280 nan 0.000 0.548 201 M N 5.006 124.636 119.600 0.049 0.000 2.252 201 M HA 0.161 4.642 4.480 0.002 0.000 0.348 201 M C -0.049 176.324 176.300 0.122 0.000 1.334 201 M CA 0.773 56.104 55.300 0.050 0.000 1.071 201 M CB 0.288 32.923 32.600 0.059 0.000 1.763 201 M HN 0.822 nan 8.290 nan 0.000 0.452 202 R N 4.176 124.698 120.500 0.036 0.000 2.854 202 R HA 0.745 5.087 4.340 0.002 0.000 0.271 202 R C -3.004 173.318 176.300 0.037 0.000 0.994 202 R CA -2.021 54.123 56.100 0.072 0.000 0.945 202 R CB 0.488 30.815 30.300 0.045 0.000 1.194 202 R HN 0.303 nan 8.270 nan 0.000 0.476 203 P HA 0.099 nan 4.420 nan 0.000 0.271 203 P C 0.284 177.595 177.300 0.018 0.000 1.216 203 P CA 0.551 63.669 63.100 0.030 0.000 0.776 203 P CB 0.675 32.398 31.700 0.038 0.000 0.881 204 G N 1.064 109.871 108.800 0.011 0.000 2.212 204 G HA2 -0.168 3.794 3.960 0.002 0.000 0.255 204 G HA3 -0.168 3.794 3.960 0.002 0.000 0.255 204 G C -0.644 174.255 174.900 -0.001 0.000 1.062 204 G CA -0.372 44.732 45.100 0.006 0.000 0.815 204 G HN 0.478 nan 8.290 nan 0.000 0.497 205 L N 1.719 122.940 121.223 -0.004 0.000 2.404 205 L HA 0.474 4.815 4.340 0.002 0.000 0.272 205 L C 0.206 177.074 176.870 -0.004 0.000 0.980 205 L CA -1.015 53.818 54.840 -0.011 0.000 0.836 205 L CB 1.612 43.656 42.059 -0.026 0.000 1.238 205 L HN 0.388 nan 8.230 nan 0.000 0.408 206 D N 1.494 121.893 120.400 -0.002 0.000 2.423 206 D HA 0.105 4.746 4.640 0.002 0.000 0.255 206 D C 0.677 176.981 176.300 0.006 0.000 1.174 206 D CA -0.478 53.525 54.000 0.004 0.000 1.008 206 D CB 1.149 41.952 40.800 0.004 0.000 1.101 206 D HN 0.429 nan 8.370 nan 0.000 0.516 207 E N 0.021 120.228 120.200 0.012 0.000 2.082 207 E HA -0.210 4.141 4.350 0.002 0.000 0.215 207 E C -0.979 175.630 176.600 0.015 0.000 1.048 207 E CA 2.558 58.968 56.400 0.018 0.000 0.869 207 E CB -1.218 28.494 29.700 0.020 0.000 0.773 207 E HN 0.422 nan 8.360 nan 0.000 0.466 208 P HA -0.183 nan 4.420 nan 0.000 0.215 208 P C 0.895 178.197 177.300 0.003 0.000 1.153 208 P CA 2.162 65.267 63.100 0.009 0.000 0.853 208 P CB -0.111 31.593 31.700 0.007 0.000 0.788 209 A N -1.068 121.751 122.820 -0.002 0.000 1.902 209 A HA -0.195 4.126 4.320 0.002 0.000 0.217 209 A C 2.150 179.722 177.584 -0.019 0.000 1.181 209 A CA 1.824 53.853 52.037 -0.012 0.000 0.623 209 A CB -1.370 17.622 19.000 -0.014 0.000 0.818 209 A HN 0.040 nan 8.150 nan 0.000 0.443 210 M N -0.437 119.156 119.600 -0.013 0.000 2.132 210 M HA -0.041 4.440 4.480 0.002 0.000 0.263 210 M C 2.490 178.787 176.300 -0.005 0.000 1.065 210 M CA 1.416 56.706 55.300 -0.017 0.000 1.122 210 M CB -1.531 31.071 32.600 0.003 0.000 1.365 210 M HN 0.479 nan 8.290 nan 0.000 0.411 211 A N -0.083 122.744 122.820 0.011 0.000 1.933 211 A HA -0.012 4.309 4.320 0.002 0.000 0.218 211 A C 2.377 179.969 177.584 0.014 0.000 1.175 211 A CA 2.056 54.107 52.037 0.023 0.000 0.628 211 A CB -0.821 18.195 19.000 0.026 0.000 0.814 211 A HN 0.478 nan 8.150 nan 0.000 0.444 212 A N -0.924 121.897 122.820 0.001 0.000 1.929 212 A HA 0.089 4.411 4.320 0.002 0.000 0.216 212 A C 2.051 179.624 177.584 -0.017 0.000 1.176 212 A CA 1.487 53.522 52.037 -0.004 0.000 0.628 212 A CB -0.496 18.500 19.000 -0.008 0.000 0.816 212 A HN 0.432 nan 8.150 nan 0.000 0.444 213 L N 0.265 121.465 121.223 -0.037 0.000 1.994 213 L HA -0.174 4.168 4.340 0.002 0.000 0.208 213 L C 2.342 179.168 176.870 -0.073 0.000 1.071 213 L CA 2.339 57.136 54.840 -0.070 0.000 0.745 213 L CB -0.730 41.264 42.059 -0.109 0.000 0.892 213 L HN 0.523 nan 8.230 nan 0.000 0.431 214 E N -0.993 119.176 120.200 -0.052 0.000 2.077 214 E HA -0.227 4.125 4.350 0.002 0.000 0.193 214 E C 2.182 178.817 176.600 0.057 0.000 0.989 214 E CA 1.122 57.514 56.400 -0.013 0.000 0.800 214 E CB -0.341 29.410 29.700 0.084 0.000 0.746 214 E HN 0.579 nan 8.360 nan 0.000 0.452 215 A N 1.396 124.241 122.820 0.042 0.000 1.940 215 A HA -0.275 4.046 4.320 0.002 0.000 0.219 215 A C 2.105 179.709 177.584 0.033 0.000 1.176 215 A CA 1.870 53.933 52.037 0.044 0.000 0.631 215 A CB -0.414 18.603 19.000 0.029 0.000 0.814 215 A HN 0.176 nan 8.150 nan 0.000 0.446 216 E N 0.318 120.526 120.200 0.012 0.000 2.072 216 E HA -0.018 4.333 4.350 0.002 0.000 0.191 216 E C 2.008 178.615 176.600 0.012 0.000 0.985 216 E CA 1.599 58.002 56.400 0.005 0.000 0.801 216 E CB -0.541 29.151 29.700 -0.012 0.000 0.750 216 E HN 0.440 nan 8.360 nan 0.000 0.452 217 A N 0.633 123.459 122.820 0.009 0.000 1.877 217 A HA -0.141 4.181 4.320 0.002 0.000 0.216 217 A C 2.100 179.737 177.584 0.089 0.000 1.186 217 A CA 1.480 53.539 52.037 0.036 0.000 0.620 217 A CB -0.733 18.255 19.000 -0.020 0.000 0.822 217 A HN 0.349 nan 8.150 nan 0.000 0.443 218 L N -0.283 121.012 121.223 0.121 0.000 2.042 218 L HA -0.119 4.222 4.340 0.002 0.000 0.210 218 L C 2.524 179.426 176.870 0.053 0.000 1.076 218 L CA 1.873 56.767 54.840 0.090 0.000 0.749 218 L CB -1.216 40.898 42.059 0.091 0.000 0.893 218 L HN 0.470 nan 8.230 nan 0.000 0.432 219 R N -0.534 119.992 120.500 0.043 0.000 2.073 219 R HA -0.192 4.149 4.340 0.002 0.000 0.234 219 R C 2.196 178.507 176.300 0.017 0.000 1.134 219 R CA 1.604 57.723 56.100 0.031 0.000 0.952 219 R CB -0.040 30.274 30.300 0.024 0.000 0.850 219 R HN 0.501 nan 8.270 nan 0.000 0.433 220 Q N -0.581 119.224 119.800 0.009 0.000 2.124 220 Q HA -0.124 4.217 4.340 0.002 0.000 0.202 220 Q C 2.093 178.068 176.000 -0.041 0.000 0.977 220 Q CA 1.604 57.400 55.803 -0.013 0.000 0.850 220 Q CB -0.102 28.630 28.738 -0.009 0.000 0.901 220 Q HN 0.392 nan 8.270 nan 0.000 0.429 221 A N 1.345 124.146 122.820 -0.032 0.000 1.877 221 A HA -0.231 4.091 4.320 0.002 0.000 0.216 221 A C 2.043 179.615 177.584 -0.021 0.000 1.186 221 A CA 1.624 53.614 52.037 -0.078 0.000 0.620 221 A CB -0.537 18.424 19.000 -0.064 0.000 0.822 221 A HN 0.251 nan 8.150 nan 0.000 0.443 222 R N -0.326 120.209 120.500 0.058 0.000 2.091 222 R HA -0.109 4.232 4.340 0.002 0.000 0.238 222 R C 2.256 178.545 176.300 -0.018 0.000 1.136 222 R CA 1.623 57.773 56.100 0.083 0.000 0.959 222 R CB -0.459 29.910 30.300 0.115 0.000 0.856 222 R HN 0.426 nan 8.270 nan 0.000 0.437 223 A N 0.646 123.451 122.820 -0.026 0.000 1.902 223 A HA -0.120 4.202 4.320 0.002 0.000 0.217 223 A C 2.387 179.913 177.584 -0.096 0.000 1.181 223 A CA 1.727 53.739 52.037 -0.042 0.000 0.623 223 A CB -0.921 18.063 19.000 -0.026 0.000 0.818 223 A HN 0.561 nan 8.150 nan 0.000 0.443 224 A N -1.000 121.728 122.820 -0.153 0.000 1.883 224 A HA -0.048 4.273 4.320 0.002 0.000 0.217 224 A C 1.956 179.353 177.584 -0.311 0.000 1.186 224 A CA 1.687 53.582 52.037 -0.236 0.000 0.624 224 A CB -0.806 18.001 19.000 -0.322 0.000 0.822 224 A HN 0.455 nan 8.150 nan 0.000 0.444 225 F N 0.077 119.787 119.950 -0.401 0.000 2.134 225 F HA -0.118 4.410 4.527 0.002 0.000 0.299 225 F C 2.473 177.931 175.800 -0.569 0.000 1.097 225 F CA 1.857 59.446 58.000 -0.685 0.000 1.264 225 F CB -0.460 37.617 39.000 -1.538 0.000 1.001 225 F HN 0.312 nan 8.300 nan 0.000 0.479 226 E N -0.892 119.166 120.200 -0.237 0.000 2.208 226 E HA -0.129 4.222 4.350 0.002 0.000 0.193 226 E C 1.957 178.525 176.600 -0.052 0.000 0.988 226 E CA 1.556 57.911 56.400 -0.076 0.000 0.828 226 E CB -0.183 29.528 29.700 0.019 0.000 0.763 226 E HN 0.421 nan 8.360 nan 0.000 0.478 227 T N -1.866 112.646 114.554 -0.069 0.000 3.107 227 T HA 0.156 4.507 4.350 0.002 0.000 0.249 227 T C 1.032 175.708 174.700 -0.040 0.000 1.096 227 T CA -0.174 61.901 62.100 -0.042 0.000 1.012 227 T CB 0.166 69.014 68.868 -0.033 0.000 0.977 227 T HN -0.094 nan 8.240 nan 0.000 0.527 228 R N 2.011 122.472 120.500 -0.064 0.000 2.738 228 R HA 0.302 4.644 4.340 0.002 0.000 0.280 228 R C -2.986 173.286 176.300 -0.047 0.000 1.456 228 R CA -1.707 54.367 56.100 -0.043 0.000 1.612 228 R CB 0.906 31.174 30.300 -0.053 0.000 1.286 228 R HN 0.288 nan 8.270 nan 0.000 0.660 229 P HA -0.047 nan 4.420 nan 0.000 0.267 229 P C -0.286 176.921 177.300 -0.155 0.000 1.205 229 P CA 0.488 63.460 63.100 -0.215 0.000 0.765 229 P CB 0.462 31.996 31.700 -0.276 0.000 0.828 230 H N 0.065 119.214 119.070 0.131 0.000 3.395 230 H HA -0.180 4.378 4.556 0.003 0.000 0.222 230 H C 0.529 175.913 175.328 0.092 0.000 1.099 230 H CA 1.353 57.471 56.048 0.117 0.000 1.182 230 H CB -2.031 27.782 29.762 0.085 0.000 1.188 230 H HN 0.458 nan 8.280 nan 0.000 0.317 231 D N 0.387 120.871 120.400 0.139 0.000 2.417 231 D HA 0.223 4.865 4.640 0.002 0.000 0.207 231 D C 0.787 177.112 176.300 0.042 0.000 1.075 231 D CA 0.051 54.102 54.000 0.084 0.000 0.851 231 D CB 0.492 41.323 40.800 0.053 0.000 0.976 231 D HN 0.379 nan 8.370 nan 0.000 0.505 232 I N 1.245 121.848 120.570 0.055 0.000 2.301 232 I HA 0.243 4.414 4.170 0.002 0.000 0.292 232 I C 1.239 177.415 176.117 0.097 0.000 1.046 232 I CA -0.448 60.849 61.300 -0.006 0.000 1.282 232 I CB 1.814 39.712 38.000 -0.170 0.000 1.409 232 I HN -0.111 nan 8.210 nan 0.000 0.484 233 A N 6.108 128.943 122.820 0.025 0.000 2.021 233 A HA 0.098 4.419 4.320 0.002 0.000 0.216 233 A C 0.773 178.337 177.584 -0.034 0.000 1.163 233 A CA 0.684 52.754 52.037 0.055 0.000 0.676 233 A CB -0.153 18.880 19.000 0.055 0.000 0.818 233 A HN 0.839 nan 8.150 nan 0.000 0.453 234 C N -4.802 114.435 119.300 -0.106 0.000 3.312 234 C HA 0.717 5.178 4.460 0.002 0.000 0.332 234 C C -1.130 173.834 174.990 -0.043 0.000 1.340 234 C CA -1.434 57.506 59.018 -0.130 0.000 1.265 234 C CB 0.414 27.965 27.740 -0.314 0.000 1.563 234 C HN 0.501 nan 8.230 nan 0.000 0.471 235 F N 1.919 121.768 119.950 -0.167 0.000 2.444 235 F HA 0.793 5.322 4.527 0.003 0.000 0.342 235 F C -0.583 175.097 175.800 -0.200 0.000 1.121 235 F CA -1.015 56.901 58.000 -0.140 0.000 0.997 235 F CB 1.506 40.467 39.000 -0.065 0.000 1.130 235 F HN 0.689 nan 8.300 nan 0.000 0.454 236 V N 5.095 124.535 119.914 -0.791 0.000 2.555 236 V HA 0.945 5.067 4.120 0.002 0.000 0.302 236 V C -0.383 175.219 176.094 -0.820 0.000 1.038 236 V CA -0.568 61.289 62.300 -0.738 0.000 0.887 236 V CB 0.977 32.435 31.823 -0.608 0.000 0.991 236 V HN 1.093 nan 8.190 nan 0.000 0.434 237 A N 2.998 125.536 122.820 -0.470 0.000 2.594 237 A HA 0.742 5.064 4.320 0.002 0.000 0.295 237 A C -0.875 176.882 177.584 0.290 0.000 1.071 237 A CA -0.770 51.257 52.037 -0.016 0.000 0.685 237 A CB 1.300 20.325 19.000 0.041 0.000 1.285 237 A HN 0.812 nan 8.150 nan 0.000 0.405 238 E N 2.095 122.529 120.200 0.389 0.000 2.290 238 E HA 0.266 4.618 4.350 0.002 0.000 0.277 238 E C -1.684 175.120 176.600 0.339 0.000 1.035 238 E CA -1.634 54.960 56.400 0.324 0.000 0.873 238 E CB 1.013 30.878 29.700 0.274 0.000 1.029 238 E HN 0.360 nan 8.360 nan 0.000 0.419 239 P HA -0.097 nan 4.420 nan 0.000 0.218 239 P C -0.147 177.390 177.300 0.395 0.000 1.149 239 P CA 1.272 64.364 63.100 -0.014 0.000 0.817 239 P CB 0.327 31.808 31.700 -0.365 0.000 0.785 240 I N -0.991 119.721 120.570 0.238 0.000 2.512 240 I HA 0.193 4.364 4.170 0.002 0.000 0.287 240 I C -0.146 176.037 176.117 0.109 0.000 1.069 240 I CA -0.774 60.583 61.300 0.094 0.000 1.056 240 I CB 2.288 40.160 38.000 -0.212 0.000 1.229 240 I HN -0.324 nan 8.210 nan 0.000 0.429 241 Q N 3.833 123.710 119.800 0.128 0.000 2.281 241 Q HA 0.220 4.562 4.340 0.002 0.000 0.267 241 Q C 0.919 176.914 176.000 -0.008 0.000 1.053 241 Q CA 0.030 55.900 55.803 0.112 0.000 0.905 241 Q CB 1.639 30.463 28.738 0.144 0.000 1.195 241 Q HN 0.939 nan 8.270 nan 0.000 0.398 242 G N 2.225 111.034 108.800 0.014 0.000 2.610 242 G HA2 -0.168 3.793 3.960 0.002 0.000 0.215 242 G HA3 -0.168 3.793 3.960 0.002 0.000 0.215 242 G C 0.975 175.839 174.900 -0.060 0.000 1.243 242 G CA 0.050 45.134 45.100 -0.026 0.000 0.847 242 G HN 0.634 nan 8.290 nan 0.000 0.560 243 E N 0.520 120.667 120.200 -0.088 0.000 2.204 243 E HA -0.085 4.266 4.350 0.002 0.000 0.195 243 E C 2.502 179.053 176.600 -0.082 0.000 0.990 243 E CA 0.803 57.106 56.400 -0.161 0.000 0.821 243 E CB -0.276 29.175 29.700 -0.414 0.000 0.750 243 E HN 0.356 nan 8.360 nan 0.000 0.477 244 G N -0.404 108.382 108.800 -0.023 0.000 2.679 244 G HA2 0.015 3.976 3.960 0.002 0.000 0.212 244 G HA3 0.015 3.976 3.960 0.002 0.000 0.212 244 G C 0.886 175.739 174.900 -0.079 0.000 1.137 244 G CA 0.525 45.616 45.100 -0.015 0.000 0.787 244 G HN 0.396 nan 8.290 nan 0.000 0.534 245 G N 0.004 108.743 108.800 -0.100 0.000 2.223 245 G HA2 0.013 3.974 3.960 0.002 0.000 0.200 245 G HA3 0.013 3.974 3.960 0.002 0.000 0.200 245 G C -0.241 174.582 174.900 -0.129 0.000 1.061 245 G CA -0.076 44.950 45.100 -0.124 0.000 0.790 245 G HN 0.219 nan 8.290 nan 0.000 0.498 246 D N -0.565 119.774 120.400 -0.102 0.000 2.803 246 D HA -0.156 4.485 4.640 0.002 0.000 0.233 246 D C 0.720 176.960 176.300 -0.101 0.000 1.182 246 D CA 1.335 55.287 54.000 -0.080 0.000 0.726 246 D CB -0.408 40.410 40.800 0.029 0.000 0.987 246 D HN 0.834 nan 8.370 nan 0.000 0.412 247 R N 1.356 121.705 120.500 -0.252 0.000 2.255 247 R HA 0.446 4.788 4.340 0.002 0.000 0.326 247 R C 0.170 176.194 176.300 -0.458 0.000 0.986 247 R CA -0.525 55.337 56.100 -0.396 0.000 0.847 247 R CB 1.406 31.269 30.300 -0.728 0.000 1.111 247 R HN 0.297 nan 8.270 nan 0.000 0.452 248 H N 2.581 121.443 119.070 -0.346 0.000 2.499 248 H HA 0.347 4.905 4.556 0.002 0.000 0.340 248 H C -0.645 174.489 175.328 -0.325 0.000 1.148 248 H CA -0.367 55.562 56.048 -0.199 0.000 1.215 248 H CB 1.501 31.250 29.762 -0.023 0.000 1.529 248 H HN 0.313 nan 8.280 nan 0.000 0.510 249 F N 0.571 120.704 119.950 0.304 0.000 2.546 249 F HA 0.361 4.889 4.527 0.002 0.000 0.320 249 F C 0.773 176.698 175.800 0.209 0.000 1.076 249 F CA -0.995 57.116 58.000 0.186 0.000 0.928 249 F CB 1.320 40.366 39.000 0.077 0.000 1.189 249 F HN 0.240 nan 8.300 nan 0.000 0.465 250 R N 2.400 123.101 120.500 0.335 0.000 2.643 250 R HA 0.113 4.455 4.340 0.002 0.000 0.270 250 R C -1.769 174.724 176.300 0.321 0.000 1.061 250 R CA -1.195 55.067 56.100 0.270 0.000 1.107 250 R CB 0.163 30.577 30.300 0.191 0.000 0.999 250 R HN 0.314 nan 8.270 nan 0.000 0.460 251 P HA -0.157 nan 4.420 nan 0.000 0.218 251 P C 0.438 177.894 177.300 0.260 0.000 1.148 251 P CA 1.196 64.485 63.100 0.315 0.000 0.822 251 P CB 0.276 32.114 31.700 0.229 0.000 0.784 252 E N -1.348 118.971 120.200 0.199 0.000 2.130 252 E HA -0.205 4.147 4.350 0.002 0.000 0.196 252 E C 1.673 178.367 176.600 0.157 0.000 0.998 252 E CA 1.019 57.512 56.400 0.155 0.000 0.806 252 E CB -1.161 28.617 29.700 0.131 0.000 0.738 252 E HN 0.261 nan 8.360 nan 0.000 0.459 253 F N 0.003 119.960 119.950 0.011 0.000 2.102 253 F HA -0.171 4.357 4.527 0.002 0.000 0.298 253 F C 1.684 177.439 175.800 -0.074 0.000 1.105 253 F CA 1.269 59.208 58.000 -0.103 0.000 1.239 253 F CB -0.323 38.535 39.000 -0.236 0.000 0.991 253 F HN -0.040 nan 8.300 nan 0.000 0.474 254 F N 0.674 120.567 119.950 -0.095 0.000 2.186 254 F HA 0.021 4.550 4.527 0.003 0.000 0.299 254 F C 2.616 178.360 175.800 -0.094 0.000 1.090 254 F CA 0.967 58.881 58.000 -0.144 0.000 1.307 254 F CB -1.580 37.554 39.000 0.224 0.000 1.019 254 F HN 0.089 nan 8.300 nan 0.000 0.489 255 A N 0.042 122.957 122.820 0.159 0.000 1.933 255 A HA -0.076 4.245 4.320 0.002 0.000 0.218 255 A C 2.458 180.042 177.584 0.000 0.000 1.175 255 A CA 1.819 53.908 52.037 0.086 0.000 0.628 255 A CB -1.238 17.820 19.000 0.097 0.000 0.814 255 A HN 0.294 nan 8.150 nan 0.000 0.444 256 A N -0.884 121.909 122.820 -0.044 0.000 1.873 256 A HA -0.099 4.223 4.320 0.002 0.000 0.215 256 A C 2.163 179.653 177.584 -0.157 0.000 1.186 256 A CA 1.917 53.904 52.037 -0.082 0.000 0.616 256 A CB -0.477 18.488 19.000 -0.058 0.000 0.823 256 A HN 0.412 nan 8.150 nan 0.000 0.442 257 M N -0.766 118.653 119.600 -0.302 0.000 2.159 257 M HA -0.121 4.360 4.480 0.002 0.000 0.263 257 M C 2.139 178.330 176.300 -0.183 0.000 1.063 257 M CA 1.627 56.715 55.300 -0.353 0.000 1.110 257 M CB -1.226 31.008 32.600 -0.611 0.000 1.374 257 M HN 0.467 nan 8.290 nan 0.000 0.411 258 R N 1.217 121.654 120.500 -0.105 0.000 2.091 258 R HA -0.138 4.204 4.340 0.002 0.000 0.238 258 R C 1.795 178.037 176.300 -0.097 0.000 1.136 258 R CA 1.924 57.972 56.100 -0.086 0.000 0.959 258 R CB -0.715 29.560 30.300 -0.041 0.000 0.856 258 R HN 0.509 nan 8.270 nan 0.000 0.437 259 E N -0.389 119.760 120.200 -0.086 0.000 2.072 259 E HA -0.155 4.197 4.350 0.002 0.000 0.191 259 E C 1.903 178.433 176.600 -0.117 0.000 0.985 259 E CA 1.136 57.483 56.400 -0.089 0.000 0.801 259 E CB -0.222 29.439 29.700 -0.065 0.000 0.750 259 E HN 0.138 nan 8.360 nan 0.000 0.452 260 L N 0.821 121.978 121.223 -0.109 0.000 2.046 260 L HA -0.187 4.154 4.340 0.002 0.000 0.208 260 L C 2.233 178.976 176.870 -0.211 0.000 1.077 260 L CA 1.531 56.308 54.840 -0.104 0.000 0.747 260 L CB -0.440 41.597 42.059 -0.036 0.000 0.896 260 L HN 0.220 nan 8.230 nan 0.000 0.432 261 C N -0.423 118.769 119.300 -0.180 0.000 2.413 261 C HA -0.164 4.297 4.460 0.002 0.000 0.276 261 C C 2.377 177.252 174.990 -0.191 0.000 1.248 261 C CA 0.935 59.848 59.018 -0.176 0.000 1.742 261 C CB -1.022 26.669 27.740 -0.082 0.000 2.017 261 C HN 0.580 nan 8.230 nan 0.000 0.481 262 D N 0.118 120.418 120.400 -0.167 0.000 2.117 262 D HA -0.121 4.520 4.640 0.002 0.000 0.198 262 D C 2.115 178.303 176.300 -0.188 0.000 0.982 262 D CA 0.993 54.903 54.000 -0.150 0.000 0.828 262 D CB -0.604 40.124 40.800 -0.120 0.000 0.967 262 D HN 0.625 nan 8.370 nan 0.000 0.464 263 E N -0.586 119.459 120.200 -0.259 0.000 2.118 263 E HA -0.171 4.180 4.350 0.002 0.000 0.195 263 E C 0.820 177.069 176.600 -0.586 0.000 0.992 263 E CA 0.834 56.983 56.400 -0.420 0.000 0.804 263 E CB -0.043 29.345 29.700 -0.519 0.000 0.741 263 E HN 0.221 nan 8.360 nan 0.000 0.458 264 F N 1.064 120.779 119.950 -0.392 0.000 2.639 264 F HA 0.138 4.666 4.527 0.002 0.000 0.300 264 F C -0.186 175.500 175.800 -0.191 0.000 1.109 264 F CA -0.085 57.685 58.000 -0.383 0.000 1.335 264 F CB 0.537 39.022 39.000 -0.858 0.000 1.014 264 F HN -0.138 nan 8.300 nan 0.000 0.537 265 D N 1.142 121.522 120.400 -0.034 0.000 2.735 265 D HA -0.181 4.460 4.640 0.002 0.000 0.235 265 D C 0.082 176.462 176.300 0.134 0.000 1.175 265 D CA 0.882 54.894 54.000 0.019 0.000 0.683 265 D CB -0.813 39.956 40.800 -0.051 0.000 1.008 265 D HN 0.310 nan 8.370 nan 0.000 0.416 266 A N 0.508 123.348 122.820 0.033 0.000 2.386 266 A HA 0.712 5.034 4.320 0.002 0.000 0.311 266 A C 0.240 177.723 177.584 -0.168 0.000 1.068 266 A CA -0.729 51.339 52.037 0.050 0.000 0.743 266 A CB 1.299 20.450 19.000 0.253 0.000 1.258 266 A HN 0.201 nan 8.150 nan 0.000 0.429 267 L N 1.421 122.458 121.223 -0.310 0.000 2.417 267 L HA 0.384 4.726 4.340 0.002 0.000 0.268 267 L C -0.204 176.492 176.870 -0.290 0.000 1.158 267 L CA -0.374 54.200 54.840 -0.443 0.000 0.819 267 L CB 0.905 42.608 42.059 -0.594 0.000 1.112 267 L HN 0.698 nan 8.230 nan 0.000 0.458 268 L N 4.053 125.076 121.223 -0.332 0.000 2.287 268 L HA 0.524 4.865 4.340 0.002 0.000 0.287 268 L C -0.523 176.044 176.870 -0.504 0.000 1.022 268 L CA -0.425 54.208 54.840 -0.345 0.000 0.814 268 L CB 1.433 43.278 42.059 -0.357 0.000 1.217 268 L HN 0.529 nan 8.230 nan 0.000 0.420 269 I N 3.425 123.680 120.570 -0.524 0.000 2.378 269 I HA 0.526 4.698 4.170 0.002 0.000 0.291 269 I C -1.531 174.274 176.117 -0.519 0.000 0.992 269 I CA 0.060 61.063 61.300 -0.496 0.000 1.154 269 I CB 1.132 38.895 38.000 -0.396 0.000 1.315 269 I HN 0.343 nan 8.210 nan 0.000 0.448 270 F N 5.327 125.098 119.950 -0.298 0.000 2.415 270 F HA 0.365 4.893 4.527 0.002 0.000 0.348 270 F C 0.263 175.985 175.800 -0.130 0.000 1.119 270 F CA -0.534 57.326 58.000 -0.233 0.000 1.069 270 F CB 1.017 39.888 39.000 -0.216 0.000 1.124 270 F HN 0.493 nan 8.300 nan 0.000 0.472 271 D N 3.635 124.150 120.400 0.190 0.000 2.411 271 D HA 0.073 4.715 4.640 0.002 0.000 0.225 271 D C 0.177 176.620 176.300 0.237 0.000 1.156 271 D CA 0.128 54.244 54.000 0.194 0.000 0.874 271 D CB 0.453 41.436 40.800 0.305 0.000 1.034 271 D HN 0.556 nan 8.370 nan 0.000 0.502 272 E N 2.866 123.215 120.200 0.249 0.000 2.437 272 E HA 0.044 4.396 4.350 0.002 0.000 0.195 272 E C 1.575 178.399 176.600 0.374 0.000 1.029 272 E CA -0.089 56.505 56.400 0.325 0.000 0.948 272 E CB 0.940 30.911 29.700 0.451 0.000 1.082 272 E HN 0.358 nan 8.360 nan 0.000 0.456 273 V N 0.763 120.862 119.914 0.309 0.000 2.332 273 V HA -0.293 3.829 4.120 0.002 0.000 0.248 273 V C 2.408 178.656 176.094 0.255 0.000 1.055 273 V CA 2.011 64.492 62.300 0.301 0.000 1.038 273 V CB -0.261 31.713 31.823 0.252 0.000 0.651 273 V HN 0.302 nan 8.190 nan 0.000 0.450 274 Q N -0.379 119.548 119.800 0.212 0.000 2.297 274 Q HA -0.101 4.240 4.340 0.002 0.000 0.203 274 Q C 2.195 178.271 176.000 0.127 0.000 0.931 274 Q CA 1.398 57.290 55.803 0.148 0.000 0.885 274 Q CB 0.154 28.957 28.738 0.109 0.000 0.991 274 Q HN 0.812 nan 8.270 nan 0.000 0.498 275 T N -2.794 111.849 114.554 0.149 0.000 3.067 275 T HA 0.205 4.557 4.350 0.002 0.000 0.257 275 T C 0.948 175.706 174.700 0.096 0.000 1.105 275 T CA 0.209 62.372 62.100 0.105 0.000 1.104 275 T CB 0.171 69.095 68.868 0.094 0.000 0.925 275 T HN 0.217 nan 8.240 nan 0.000 0.498 276 G N -0.373 108.540 108.800 0.188 0.000 2.621 276 G HA2 0.367 4.329 3.960 0.002 0.000 0.271 276 G HA3 0.367 4.329 3.960 0.002 0.000 0.271 276 G C 0.378 175.177 174.900 -0.169 0.000 1.236 276 G CA -0.148 45.028 45.100 0.127 0.000 0.958 276 G HN 0.715 nan 8.290 nan 0.000 0.512 277 C N -0.717 118.229 119.300 -0.589 0.000 4.454 277 C HA -0.058 4.404 4.460 0.002 0.000 0.301 277 C C 1.857 176.717 174.990 -0.216 0.000 1.366 277 C CA 1.212 59.969 59.018 -0.434 0.000 2.016 277 C CB -1.763 25.877 27.740 -0.166 0.000 1.253 277 C HN 2.841 nan 8.230 nan 0.000 0.770 278 G N -0.784 107.761 108.800 -0.425 0.000 2.217 278 G HA2 -0.291 3.670 3.960 0.002 0.000 0.246 278 G HA3 -0.291 3.670 3.960 0.002 0.000 0.246 278 G C 0.592 175.414 174.900 -0.130 0.000 0.990 278 G CA 0.442 45.361 45.100 -0.303 0.000 0.627 278 G HN 1.505 nan 8.290 nan 0.000 0.522 279 L N 1.956 123.122 121.223 -0.095 0.000 2.043 279 L HA 0.049 4.391 4.340 0.002 0.000 0.212 279 L C 2.933 179.788 176.870 -0.026 0.000 1.075 279 L CA 3.594 58.416 54.840 -0.030 0.000 0.752 279 L CB -0.689 41.367 42.059 -0.005 0.000 0.891 279 L HN 0.727 nan 8.230 nan 0.000 0.432 280 T N -4.221 110.293 114.554 -0.066 0.000 3.129 280 T HA 0.373 4.724 4.350 0.002 0.000 0.251 280 T C 1.392 176.057 174.700 -0.059 0.000 1.117 280 T CA 0.422 62.501 62.100 -0.036 0.000 1.034 280 T CB 0.053 68.902 68.868 -0.031 0.000 0.968 280 T HN 0.631 nan 8.240 nan 0.000 0.526 281 G N 0.927 109.664 108.800 -0.105 0.000 2.218 281 G HA2 -0.145 3.817 3.960 0.002 0.000 0.216 281 G HA3 -0.145 3.817 3.960 0.002 0.000 0.216 281 G C 0.234 175.005 174.900 -0.215 0.000 0.994 281 G CA 0.072 45.120 45.100 -0.086 0.000 0.637 281 G HN 1.156 nan 8.290 nan 0.000 0.505 282 T N -2.468 111.839 114.554 -0.411 0.000 2.916 282 T HA 0.823 5.174 4.350 0.002 0.000 0.292 282 T C 1.517 175.539 174.700 -1.130 0.000 1.064 282 T CA 0.450 62.163 62.100 -0.645 0.000 1.011 282 T CB 1.665 70.305 68.868 -0.380 0.000 1.152 282 T HN 1.429 nan 8.240 nan 0.000 0.510 283 A N 0.252 122.200 122.820 -1.454 0.000 1.896 283 A HA 0.008 4.329 4.320 0.002 0.000 0.220 283 A C 0.243 177.005 177.584 -1.370 0.000 1.206 283 A CA 1.048 52.189 52.037 -1.493 0.000 0.647 283 A CB -0.978 17.410 19.000 -1.020 0.000 0.828 283 A HN 0.816 nan 8.150 nan 0.000 0.455 284 W N -4.247 116.760 121.300 -0.487 0.000 2.936 284 W HA 0.625 5.286 4.660 0.002 0.000 0.338 284 W C 0.918 177.186 176.519 -0.418 0.000 1.121 284 W CA -0.439 56.669 57.345 -0.394 0.000 1.209 284 W CB 1.726 30.894 29.460 -0.487 0.000 1.420 284 W HN 0.115 nan 8.180 nan 0.000 0.516 285 A N 1.320 124.125 122.820 -0.025 0.000 1.972 285 A HA -0.241 4.081 4.320 0.002 0.000 0.219 285 A C 1.691 179.190 177.584 -0.142 0.000 1.169 285 A CA 2.040 54.024 52.037 -0.088 0.000 0.635 285 A CB -1.162 17.811 19.000 -0.045 0.000 0.810 285 A HN 0.860 nan 8.150 nan 0.000 0.446 286 Y N -0.135 120.066 120.300 -0.165 0.000 2.333 286 Y HA -0.151 4.400 4.550 0.002 0.000 0.290 286 Y C 1.952 177.831 175.900 -0.036 0.000 1.144 286 Y CA 1.406 59.358 58.100 -0.246 0.000 1.228 286 Y CB -0.889 37.410 38.460 -0.268 0.000 0.985 286 Y HN 0.396 nan 8.280 nan 0.000 0.542 287 Q N 0.384 119.878 119.800 -0.510 0.000 2.291 287 Q HA -0.174 4.167 4.340 0.002 0.000 0.206 287 Q C 1.955 177.899 176.000 -0.093 0.000 0.976 287 Q CA 1.650 57.275 55.803 -0.296 0.000 0.875 287 Q CB -0.167 28.355 28.738 -0.360 0.000 0.927 287 Q HN 0.718 nan 8.270 nan 0.000 0.450 288 Q N -0.287 119.467 119.800 -0.077 0.000 2.402 288 Q HA 0.073 4.415 4.340 0.002 0.000 0.206 288 Q C 1.598 177.632 176.000 0.057 0.000 0.919 288 Q CA 0.306 56.104 55.803 -0.009 0.000 0.923 288 Q CB 0.456 29.186 28.738 -0.012 0.000 1.048 288 Q HN 0.365 nan 8.270 nan 0.000 0.515 289 L N 0.028 121.300 121.223 0.082 0.000 2.509 289 L HA 0.054 4.395 4.340 0.002 0.000 0.222 289 L C 0.062 177.035 176.870 0.173 0.000 1.123 289 L CA -0.013 54.922 54.840 0.159 0.000 0.856 289 L CB 0.116 42.291 42.059 0.193 0.000 0.985 289 L HN 0.164 nan 8.230 nan 0.000 0.456 290 D N 0.493 120.983 120.400 0.149 0.000 2.723 290 D HA -0.152 4.489 4.640 0.002 0.000 0.236 290 D C -0.753 175.654 176.300 0.179 0.000 1.138 290 D CA 0.376 54.465 54.000 0.148 0.000 0.676 290 D CB -0.693 40.174 40.800 0.111 0.000 1.069 290 D HN -0.020 nan 8.370 nan 0.000 0.430 291 V N 0.048 120.109 119.914 0.245 0.000 2.495 291 V HA 0.794 4.915 4.120 0.002 0.000 0.298 291 V C 0.580 176.811 176.094 0.229 0.000 1.031 291 V CA -0.573 61.869 62.300 0.237 0.000 0.871 291 V CB 1.928 33.946 31.823 0.326 0.000 0.988 291 V HN 0.333 nan 8.190 nan 0.000 0.432 292 A N 7.559 130.430 122.820 0.085 0.000 2.269 292 A HA 0.763 5.085 4.320 0.002 0.000 0.302 292 A C -2.190 175.284 177.584 -0.184 0.000 1.266 292 A CA -1.354 50.666 52.037 -0.029 0.000 0.894 292 A CB 0.155 19.138 19.000 -0.029 0.000 1.147 292 A HN 0.611 nan 8.150 nan 0.000 0.537 293 P HA 0.245 nan 4.420 nan 0.000 0.278 293 P C -0.386 176.679 177.300 -0.392 0.000 1.258 293 P CA -0.289 62.529 63.100 -0.469 0.000 0.811 293 P CB 1.200 32.565 31.700 -0.559 0.000 1.063 294 D N -0.137 120.025 120.400 -0.395 0.000 2.240 294 D HA 0.084 4.725 4.640 0.002 0.000 0.206 294 D C 0.731 176.830 176.300 -0.336 0.000 0.963 294 D CA 1.144 54.930 54.000 -0.357 0.000 0.863 294 D CB 0.470 41.016 40.800 -0.424 0.000 0.973 294 D HN 0.317 nan 8.370 nan 0.000 0.501 295 I N -0.336 120.022 120.570 -0.354 0.000 2.722 295 I HA 0.304 4.476 4.170 0.002 0.000 0.295 295 I C -1.790 174.153 176.117 -0.289 0.000 1.161 295 I CA -0.769 60.354 61.300 -0.296 0.000 1.032 295 I CB 2.611 40.465 38.000 -0.243 0.000 1.244 295 I HN -0.382 nan 8.210 nan 0.000 0.421 296 V N 6.609 126.382 119.914 -0.235 0.000 2.487 296 V HA 0.861 4.983 4.120 0.002 0.000 0.298 296 V C 0.252 176.291 176.094 -0.091 0.000 1.028 296 V CA -0.351 61.838 62.300 -0.185 0.000 0.860 296 V CB 1.356 32.988 31.823 -0.319 0.000 0.991 296 V HN 0.995 nan 8.190 nan 0.000 0.427 297 A N 5.506 128.293 122.820 -0.054 0.000 2.301 297 A HA 0.950 5.271 4.320 0.002 0.000 0.312 297 A C -0.729 176.913 177.584 0.097 0.000 1.182 297 A CA -0.289 51.705 52.037 -0.073 0.000 0.826 297 A CB 0.474 19.441 19.000 -0.056 0.000 1.134 297 A HN 0.958 nan 8.150 nan 0.000 0.501 298 F N 0.241 120.292 119.950 0.169 0.000 2.640 298 F HA 0.974 5.503 4.527 0.002 0.000 0.324 298 F C 0.329 176.317 175.800 0.313 0.000 1.077 298 F CA -0.470 57.725 58.000 0.326 0.000 0.965 298 F CB 1.222 40.552 39.000 0.550 0.000 1.351 298 F HN 1.065 nan 8.300 nan 0.000 0.487 299 G N -0.021 109.140 108.800 0.602 0.000 2.356 299 G HA2 0.387 4.348 3.960 0.002 0.000 0.281 299 G HA3 0.387 4.348 3.960 0.002 0.000 0.281 299 G C -0.646 174.464 174.900 0.351 0.000 1.246 299 G CA -0.218 45.132 45.100 0.417 0.000 0.889 299 G HN 0.883 nan 8.290 nan 0.000 0.486 300 K N -0.887 119.658 120.400 0.242 0.000 3.860 300 K HA -0.328 3.994 4.320 0.002 0.000 0.215 300 K C 2.059 178.766 176.600 0.178 0.000 0.729 300 K CA 2.216 58.612 56.287 0.181 0.000 0.634 300 K CB -1.154 31.439 32.500 0.156 0.000 0.774 300 K HN 0.436 nan 8.250 nan 0.000 0.793 301 K N 0.629 121.129 120.400 0.166 0.000 2.211 301 K HA -0.125 4.196 4.320 0.002 0.000 0.204 301 K C 2.043 178.744 176.600 0.169 0.000 1.047 301 K CA 1.903 58.270 56.287 0.133 0.000 0.935 301 K CB -0.276 32.277 32.500 0.090 0.000 0.728 301 K HN 0.657 nan 8.250 nan 0.000 0.452 302 T N -1.360 113.352 114.554 0.263 0.000 3.072 302 T HA -0.105 4.246 4.350 0.002 0.000 0.266 302 T C 0.963 175.847 174.700 0.306 0.000 1.127 302 T CA 0.575 62.887 62.100 0.354 0.000 1.107 302 T CB 0.032 69.262 68.868 0.603 0.000 0.910 302 T HN 0.171 nan 8.240 nan 0.000 0.513 303 Q N -0.771 119.162 119.800 0.221 0.000 2.540 303 Q HA -0.200 4.142 4.340 0.002 0.000 0.186 303 Q C 0.648 176.719 176.000 0.118 0.000 2.876 303 Q CA 1.977 57.856 55.803 0.128 0.000 0.213 303 Q CB -2.374 26.406 28.738 0.070 0.000 0.199 303 Q HN 0.624 nan 8.270 nan 0.000 0.403 304 V N 2.058 122.046 119.914 0.123 0.000 2.686 304 V HA 0.305 4.427 4.120 0.002 0.000 0.295 304 V C 0.988 177.320 176.094 0.395 0.000 1.055 304 V CA -0.333 62.056 62.300 0.149 0.000 1.050 304 V CB 1.366 33.184 31.823 -0.008 0.000 0.984 304 V HN 0.475 nan 8.190 nan 0.000 0.482 305 C N 2.651 122.131 119.300 0.301 0.000 2.407 305 C HA 1.052 5.514 4.460 0.002 0.000 0.366 305 C C 0.939 175.921 174.990 -0.013 0.000 1.213 305 C CA 0.454 59.600 59.018 0.214 0.000 2.011 305 C CB 0.977 28.782 27.740 0.108 0.000 2.306 305 C HN 1.350 nan 8.230 nan 0.000 0.527 306 G N -0.624 107.742 108.800 -0.723 0.000 2.336 306 G HA2 0.515 4.477 3.960 0.002 0.000 0.286 306 G HA3 0.515 4.477 3.960 0.002 0.000 0.286 306 G C -1.402 172.775 174.900 -1.204 0.000 1.269 306 G CA 0.344 44.939 45.100 -0.842 0.000 0.873 306 G HN 1.673 nan 8.290 nan 0.000 0.494 307 V N -2.487 117.075 119.914 -0.587 0.000 2.876 307 V HA 0.907 5.028 4.120 0.002 0.000 0.312 307 V C -0.259 175.850 176.094 0.025 0.000 1.085 307 V CA -1.045 61.120 62.300 -0.225 0.000 0.945 307 V CB 1.804 33.597 31.823 -0.049 0.000 1.017 307 V HN 0.910 nan 8.190 nan 0.000 0.428 308 M N 3.747 123.394 119.600 0.078 0.000 2.311 308 M HA 0.901 5.382 4.480 0.002 0.000 0.325 308 M C -0.274 175.913 176.300 -0.188 0.000 1.061 308 M CA -0.545 54.741 55.300 -0.023 0.000 0.957 308 M CB 2.024 34.639 32.600 0.025 0.000 1.646 308 M HN 1.070 nan 8.290 nan 0.000 0.434 309 A N 1.853 124.491 122.820 -0.304 0.000 2.556 309 A HA 1.056 5.378 4.320 0.002 0.000 0.294 309 A C -0.324 177.135 177.584 -0.209 0.000 1.091 309 A CA -0.047 51.782 52.037 -0.347 0.000 0.704 309 A CB 2.015 20.627 19.000 -0.645 0.000 1.300 309 A HN 1.012 nan 8.150 nan 0.000 0.406 310 G N -0.203 108.507 108.800 -0.149 0.000 2.566 310 G HA2 0.495 4.457 3.960 0.002 0.000 0.138 310 G HA3 0.495 4.457 3.960 0.002 0.000 0.138 310 G C 0.319 175.153 174.900 -0.110 0.000 1.133 310 G CA 0.829 45.888 45.100 -0.070 0.000 1.037 310 G HN 1.388 nan 8.290 nan 0.000 0.491 311 R N -0.872 119.570 120.500 -0.098 0.000 3.707 311 R HA -0.278 4.064 4.340 0.002 0.000 0.504 311 R C 2.099 178.350 176.300 -0.081 0.000 0.241 311 R CA 2.462 58.503 56.100 -0.099 0.000 1.576 311 R CB -1.154 29.055 30.300 -0.152 0.000 0.924 311 R HN 0.562 nan 8.270 nan 0.000 0.597 312 R N 0.141 120.547 120.500 -0.155 0.000 2.237 312 R HA -0.032 4.310 4.340 0.002 0.000 0.219 312 R C 2.127 178.399 176.300 -0.046 0.000 1.080 312 R CA 1.224 57.260 56.100 -0.106 0.000 0.995 312 R CB -0.037 30.127 30.300 -0.227 0.000 0.875 312 R HN 0.323 nan 8.270 nan 0.000 0.462 313 V N 1.651 121.450 119.914 -0.191 0.000 2.324 313 V HA -0.268 3.854 4.120 0.002 0.000 0.250 313 V C 1.589 177.839 176.094 0.260 0.000 1.060 313 V CA 1.881 64.143 62.300 -0.065 0.000 1.042 313 V CB -0.365 31.422 31.823 -0.060 0.000 0.650 313 V HN 0.320 nan 8.190 nan 0.000 0.450 314 D N -0.324 120.190 120.400 0.190 0.000 2.350 314 D HA -0.136 4.505 4.640 0.002 0.000 0.216 314 D C 1.963 178.391 176.300 0.214 0.000 0.968 314 D CA 0.755 54.879 54.000 0.207 0.000 0.894 314 D CB -0.026 40.884 40.800 0.184 0.000 0.909 314 D HN 0.622 nan 8.370 nan 0.000 0.520 315 E N 0.209 120.581 120.200 0.286 0.000 2.338 315 E HA -0.034 4.318 4.350 0.002 0.000 0.197 315 E C 0.309 177.032 176.600 0.204 0.000 1.007 315 E CA 0.259 56.815 56.400 0.259 0.000 0.849 315 E CB 0.599 30.497 29.700 0.330 0.000 0.774 315 E HN 0.003 nan 8.360 nan 0.000 0.506 316 V N 1.370 121.418 119.914 0.223 0.000 2.311 316 V HA 0.186 4.307 4.120 0.002 0.000 0.275 316 V C 0.819 176.962 176.094 0.081 0.000 1.022 316 V CA -0.048 62.282 62.300 0.050 0.000 0.830 316 V CB 1.072 32.808 31.823 -0.144 0.000 1.012 316 V HN 0.153 nan 8.190 nan 0.000 0.452 317 A N 3.936 126.783 122.820 0.045 0.000 2.019 317 A HA -0.093 4.228 4.320 0.002 0.000 0.219 317 A C 1.262 178.865 177.584 0.032 0.000 1.164 317 A CA 1.511 53.576 52.037 0.047 0.000 0.644 317 A CB -0.178 18.839 19.000 0.029 0.000 0.805 317 A HN 0.871 nan 8.150 nan 0.000 0.449 318 D N 0.157 120.563 120.400 0.010 0.000 2.894 318 D HA 0.126 4.768 4.640 0.002 0.000 0.248 318 D C -0.066 176.226 176.300 -0.013 0.000 1.291 318 D CA -0.507 53.490 54.000 -0.005 0.000 0.840 318 D CB -1.270 39.518 40.800 -0.019 0.000 1.044 318 D HN 0.590 nan 8.370 nan 0.000 0.484 319 N N -0.831 117.878 118.700 0.014 0.000 2.317 319 N HA 0.031 4.773 4.740 0.002 0.000 0.245 319 N C 1.432 176.873 175.510 -0.114 0.000 1.294 319 N CA -0.233 52.823 53.050 0.010 0.000 0.924 319 N CB 0.789 39.359 38.487 0.137 0.000 1.186 319 N HN -0.088 nan 8.380 nan 0.000 0.495 320 V N -3.782 115.959 119.914 -0.288 0.000 3.078 320 V HA 0.006 4.128 4.120 0.002 0.000 0.265 320 V C 0.953 176.673 176.094 -0.622 0.000 1.122 320 V CA 1.113 63.117 62.300 -0.495 0.000 1.141 320 V CB -1.361 30.063 31.823 -0.664 0.000 0.735 320 V HN 0.584 nan 8.190 nan 0.000 0.498 321 F N 1.059 120.896 119.950 -0.189 0.000 2.743 321 F HA 0.570 5.098 4.527 0.002 0.000 0.297 321 F C 2.301 178.022 175.800 -0.131 0.000 1.131 321 F CA 0.745 58.622 58.000 -0.204 0.000 1.426 321 F CB -0.293 38.454 39.000 -0.421 0.000 1.116 321 F HN 0.253 nan 8.300 nan 0.000 0.583 322 A N -0.707 122.114 122.820 0.002 0.000 2.229 322 A HA 0.393 4.714 4.320 0.002 0.000 0.211 322 A C 0.454 178.046 177.584 0.012 0.000 1.193 322 A CA 0.217 52.270 52.037 0.026 0.000 0.879 322 A CB 0.033 19.048 19.000 0.025 0.000 0.911 322 A HN -0.009 nan 8.150 nan 0.000 0.492 323 V N 2.318 122.217 119.914 -0.025 0.000 2.417 323 V HA 0.344 4.465 4.120 0.002 0.000 0.291 323 V C -2.621 173.460 176.094 -0.023 0.000 1.024 323 V CA -1.899 60.387 62.300 -0.023 0.000 0.861 323 V CB 1.404 33.202 31.823 -0.042 0.000 0.985 323 V HN 0.191 nan 8.190 nan 0.000 0.436 324 P HA 0.164 nan 4.420 nan 0.000 0.268 324 P C 0.604 177.905 177.300 0.001 0.000 1.205 324 P CA 0.396 63.508 63.100 0.021 0.000 0.771 324 P CB 0.803 32.522 31.700 0.033 0.000 0.858 325 S N 0.461 116.168 115.700 0.010 0.000 3.018 325 S HA -0.162 4.310 4.470 0.002 0.000 0.274 325 S C 1.525 176.108 174.600 -0.029 0.000 1.300 325 S CA 0.773 58.976 58.200 0.004 0.000 1.179 325 S CB -0.983 62.220 63.200 0.006 0.000 1.427 325 S HN 0.516 nan 8.310 nan 0.000 0.668 326 R N 0.014 120.471 120.500 -0.072 0.000 2.093 326 R HA 0.202 4.543 4.340 0.002 0.000 0.224 326 R C 0.912 177.121 176.300 -0.150 0.000 1.101 326 R CA 0.924 56.957 56.100 -0.112 0.000 0.979 326 R CB -0.209 29.996 30.300 -0.159 0.000 0.877 326 R HN 0.502 nan 8.270 nan 0.000 0.441 327 L N 0.894 121.992 121.223 -0.208 0.000 2.346 327 L HA 0.437 4.778 4.340 0.002 0.000 0.274 327 L C -0.436 176.456 176.870 0.035 0.000 1.007 327 L CA -0.810 53.879 54.840 -0.252 0.000 0.818 327 L CB 1.745 43.308 42.059 -0.826 0.000 1.284 327 L HN -0.022 nan 8.230 nan 0.000 0.424 328 N N 0.207 119.016 118.700 0.182 0.000 3.322 328 N HA 0.588 5.330 4.740 0.002 0.000 0.233 328 N C -1.706 173.938 175.510 0.224 0.000 1.399 328 N CA -0.348 52.859 53.050 0.262 0.000 0.894 328 N CB 2.075 40.634 38.487 0.120 0.000 1.440 328 N HN 0.734 nan 8.380 nan 0.000 0.503 329 S N -1.281 114.510 115.700 0.152 0.000 2.596 329 S HA 0.444 4.915 4.470 0.002 0.000 0.270 329 S C 0.309 174.899 174.600 -0.016 0.000 1.155 329 S CA -0.312 57.926 58.200 0.064 0.000 0.827 329 S CB 1.079 64.339 63.200 0.099 0.000 1.130 329 S HN 0.422 nan 8.310 nan 0.000 0.467 330 T N 0.778 115.245 114.554 -0.146 0.000 2.622 330 T HA -0.080 4.272 4.350 0.002 0.000 0.266 330 T C 0.817 175.370 174.700 -0.245 0.000 1.047 330 T CA 1.828 63.726 62.100 -0.336 0.000 1.159 330 T CB -0.335 68.091 68.868 -0.738 0.000 0.863 330 T HN 0.685 nan 8.240 nan 0.000 0.422 331 W N 0.474 121.777 121.300 0.005 0.000 2.812 331 W HA 0.377 5.038 4.660 0.002 0.000 0.263 331 W C 1.707 178.222 176.519 -0.007 0.000 1.284 331 W CA 0.372 57.714 57.345 -0.006 0.000 1.430 331 W CB -0.736 28.715 29.460 -0.015 0.000 1.088 331 W HN 0.501 nan 8.180 nan 0.000 0.623 332 G N 1.870 110.776 108.800 0.177 0.000 2.323 332 G HA2 0.063 4.024 3.960 0.002 0.000 0.292 332 G HA3 0.063 4.024 3.960 0.002 0.000 0.292 332 G C 0.642 175.588 174.900 0.077 0.000 1.040 332 G CA 0.687 45.829 45.100 0.070 0.000 0.942 332 G HN 0.800 nan 8.290 nan 0.000 0.506 333 G N -1.024 107.840 108.800 0.107 0.000 2.690 333 G HA2 0.124 4.085 3.960 0.002 0.000 0.686 333 G HA3 0.124 4.085 3.960 0.002 0.000 0.686 333 G C -0.431 174.463 174.900 -0.011 0.000 1.277 333 G CA 0.061 45.188 45.100 0.044 0.000 0.799 333 G HN 1.219 nan 8.290 nan 0.000 0.613 334 N N 0.269 118.910 118.700 -0.099 0.000 2.422 334 N HA 0.294 5.036 4.740 0.002 0.000 0.264 334 N C 1.526 176.919 175.510 -0.195 0.000 1.063 334 N CA -0.575 52.368 53.050 -0.178 0.000 0.959 334 N CB 1.363 39.733 38.487 -0.195 0.000 1.087 334 N HN 0.652 nan 8.380 nan 0.000 0.483 335 L N 4.290 125.412 121.223 -0.170 0.000 2.079 335 L HA -0.125 4.217 4.340 0.002 0.000 0.210 335 L C 1.883 178.655 176.870 -0.163 0.000 1.081 335 L CA 1.922 56.669 54.840 -0.155 0.000 0.752 335 L CB -0.823 41.181 42.059 -0.092 0.000 0.896 335 L HN 0.584 nan 8.230 nan 0.000 0.433 336 T N -0.574 113.887 114.554 -0.155 0.000 2.720 336 T HA -0.173 4.179 4.350 0.002 0.000 0.268 336 T C 1.470 176.099 174.700 -0.119 0.000 1.037 336 T CA 1.571 63.593 62.100 -0.129 0.000 1.144 336 T CB -0.362 68.427 68.868 -0.131 0.000 0.864 336 T HN 0.395 nan 8.240 nan 0.000 0.444 337 D N 0.879 121.188 120.400 -0.152 0.000 2.144 337 D HA -0.010 4.631 4.640 0.002 0.000 0.199 337 D C 2.070 178.217 176.300 -0.254 0.000 0.984 337 D CA 0.951 54.861 54.000 -0.149 0.000 0.834 337 D CB -0.297 40.420 40.800 -0.138 0.000 0.955 337 D HN 0.397 nan 8.370 nan 0.000 0.465 338 M N -0.011 119.320 119.600 -0.448 0.000 2.086 338 M HA -0.130 4.352 4.480 0.002 0.000 0.261 338 M C 2.311 178.422 176.300 -0.315 0.000 1.067 338 M CA 0.901 55.682 55.300 -0.865 0.000 1.116 338 M CB -0.122 31.935 32.600 -0.904 0.000 1.348 338 M HN -0.109 nan 8.290 nan 0.000 0.407 339 V N 0.000 119.849 119.914 -0.109 0.000 2.358 339 V HA -0.259 3.863 4.120 0.002 0.000 0.246 339 V C 2.358 178.599 176.094 0.245 0.000 1.047 339 V CA 1.849 64.201 62.300 0.088 0.000 1.035 339 V CB -0.788 31.063 31.823 0.046 0.000 0.658 339 V HN 0.442 nan 8.190 nan 0.000 0.452 340 R N 0.093 120.705 120.500 0.187 0.000 2.073 340 R HA -0.168 4.173 4.340 0.002 0.000 0.234 340 R C 2.350 178.733 176.300 0.140 0.000 1.134 340 R CA 1.708 57.961 56.100 0.255 0.000 0.952 340 R CB -0.507 29.887 30.300 0.158 0.000 0.850 340 R HN 0.498 nan 8.270 nan 0.000 0.433 341 A N 1.079 123.961 122.820 0.103 0.000 1.902 341 A HA -0.212 4.110 4.320 0.002 0.000 0.217 341 A C 2.159 179.884 177.584 0.235 0.000 1.181 341 A CA 1.539 53.676 52.037 0.167 0.000 0.623 341 A CB -0.650 18.481 19.000 0.218 0.000 0.818 341 A HN 0.410 nan 8.150 nan 0.000 0.443 342 R N -0.668 120.016 120.500 0.307 0.000 2.080 342 R HA -0.226 4.115 4.340 0.002 0.000 0.236 342 R C 2.347 178.694 176.300 0.077 0.000 1.137 342 R CA 2.070 58.328 56.100 0.263 0.000 0.943 342 R CB -0.285 30.183 30.300 0.281 0.000 0.846 342 R HN 0.384 nan 8.270 nan 0.000 0.431 343 R N 0.701 121.203 120.500 0.003 0.000 2.081 343 R HA -0.023 4.318 4.340 0.002 0.000 0.235 343 R C 2.216 178.396 176.300 -0.199 0.000 1.131 343 R CA 1.626 57.590 56.100 -0.227 0.000 0.960 343 R CB -0.513 29.324 30.300 -0.772 0.000 0.856 343 R HN 0.369 nan 8.270 nan 0.000 0.436 344 I N 0.138 120.637 120.570 -0.119 0.000 2.163 344 I HA -0.314 3.858 4.170 0.002 0.000 0.243 344 I C 2.005 178.066 176.117 -0.094 0.000 1.085 344 I CA 1.305 62.551 61.300 -0.089 0.000 1.347 344 I CB -0.259 37.728 38.000 -0.022 0.000 1.044 344 I HN 0.175 nan 8.210 nan 0.000 0.408 345 L N 0.153 121.342 121.223 -0.057 0.000 2.083 345 L HA -0.229 4.113 4.340 0.002 0.000 0.209 345 L C 2.476 179.261 176.870 -0.142 0.000 1.083 345 L CA 1.484 56.263 54.840 -0.101 0.000 0.752 345 L CB -0.622 41.399 42.059 -0.063 0.000 0.899 345 L HN 0.279 nan 8.230 nan 0.000 0.433 346 E N -0.441 119.690 120.200 -0.115 0.000 2.110 346 E HA -0.187 4.165 4.350 0.002 0.000 0.193 346 E C 2.271 178.782 176.600 -0.149 0.000 0.988 346 E CA 1.255 57.581 56.400 -0.124 0.000 0.804 346 E CB -0.060 29.578 29.700 -0.102 0.000 0.745 346 E HN 0.266 nan 8.360 nan 0.000 0.458 347 V N 1.457 121.276 119.914 -0.158 0.000 2.295 347 V HA -0.272 3.850 4.120 0.002 0.000 0.246 347 V C 2.257 178.238 176.094 -0.188 0.000 1.049 347 V CA 1.580 63.785 62.300 -0.158 0.000 1.024 347 V CB -0.405 31.329 31.823 -0.148 0.000 0.648 347 V HN 0.275 nan 8.190 nan 0.000 0.447 348 I N -0.034 120.400 120.570 -0.227 0.000 2.151 348 I HA -0.312 3.859 4.170 0.002 0.000 0.243 348 I C 2.635 178.507 176.117 -0.409 0.000 1.080 348 I CA 2.193 63.288 61.300 -0.343 0.000 1.339 348 I CB -0.336 37.408 38.000 -0.426 0.000 1.039 348 I HN 0.448 nan 8.210 nan 0.000 0.409 349 E N 1.003 121.000 120.200 -0.338 0.000 2.072 349 E HA -0.219 4.132 4.350 0.002 0.000 0.191 349 E C 2.249 178.726 176.600 -0.205 0.000 0.985 349 E CA 1.273 57.500 56.400 -0.288 0.000 0.801 349 E CB -0.020 29.555 29.700 -0.208 0.000 0.750 349 E HN 0.482 nan 8.360 nan 0.000 0.452 350 A N 0.980 123.699 122.820 -0.168 0.000 1.929 350 A HA -0.122 4.200 4.320 0.002 0.000 0.216 350 A C 1.674 179.186 177.584 -0.119 0.000 1.176 350 A CA 1.246 53.208 52.037 -0.125 0.000 0.628 350 A CB -0.199 18.736 19.000 -0.109 0.000 0.816 350 A HN 0.296 nan 8.150 nan 0.000 0.444 351 E N -1.062 119.054 120.200 -0.140 0.000 2.474 351 E HA 0.276 4.628 4.350 0.002 0.000 0.195 351 E C 0.750 177.276 176.600 -0.124 0.000 1.039 351 E CA 0.198 56.527 56.400 -0.119 0.000 0.881 351 E CB 0.044 29.677 29.700 -0.112 0.000 0.970 351 E HN 0.662 nan 8.360 nan 0.000 0.486 352 G N 2.309 111.011 108.800 -0.162 0.000 2.295 352 G HA2 -0.290 3.672 3.960 0.002 0.000 0.287 352 G HA3 -0.290 3.672 3.960 0.002 0.000 0.287 352 G C 0.707 175.519 174.900 -0.147 0.000 1.055 352 G CA 0.232 45.240 45.100 -0.152 0.000 0.922 352 G HN 0.297 nan 8.290 nan 0.000 0.503 353 L N -1.318 119.767 121.223 -0.230 0.000 2.291 353 L HA 0.041 4.382 4.340 0.002 0.000 0.214 353 L C 2.684 179.541 176.870 -0.021 0.000 1.120 353 L CA 0.612 55.360 54.840 -0.153 0.000 0.799 353 L CB -0.426 41.528 42.059 -0.176 0.000 0.925 353 L HN 0.312 nan 8.230 nan 0.000 0.446 354 F N 0.682 120.574 119.950 -0.097 0.000 2.102 354 F HA -0.215 4.314 4.527 0.003 0.000 0.298 354 F C 2.664 178.428 175.800 -0.059 0.000 1.105 354 F CA 1.396 59.338 58.000 -0.096 0.000 1.239 354 F CB -0.887 38.042 39.000 -0.119 0.000 0.991 354 F HN 0.098 nan 8.300 nan 0.000 0.474 355 E N 0.638 120.919 120.200 0.135 0.000 2.106 355 E HA -0.183 4.168 4.350 0.002 0.000 0.192 355 E C 2.340 178.987 176.600 0.078 0.000 0.984 355 E CA 1.063 57.511 56.400 0.081 0.000 0.806 355 E CB -0.267 29.460 29.700 0.045 0.000 0.750 355 E HN 0.258 nan 8.360 nan 0.000 0.458 356 R N -0.330 120.207 120.500 0.061 0.000 2.096 356 R HA -0.084 4.258 4.340 0.002 0.000 0.235 356 R C 2.118 178.487 176.300 0.114 0.000 1.127 356 R CA 1.390 57.542 56.100 0.088 0.000 0.968 356 R CB -0.356 29.929 30.300 -0.024 0.000 0.861 356 R HN 0.229 nan 8.270 nan 0.000 0.440 357 A N 0.100 122.963 122.820 0.071 0.000 1.902 357 A HA -0.092 4.230 4.320 0.002 0.000 0.217 357 A C 2.222 179.863 177.584 0.095 0.000 1.181 357 A CA 1.535 53.617 52.037 0.074 0.000 0.623 357 A CB -0.502 18.537 19.000 0.066 0.000 0.818 357 A HN 0.213 nan 8.150 nan 0.000 0.443 358 V N 0.071 120.035 119.914 0.083 0.000 2.255 358 V HA -0.288 3.834 4.120 0.002 0.000 0.247 358 V C 2.774 178.918 176.094 0.083 0.000 1.051 358 V CA 2.149 64.489 62.300 0.067 0.000 1.018 358 V CB -0.803 31.050 31.823 0.049 0.000 0.641 358 V HN 0.539 nan 8.190 nan 0.000 0.445 359 Q N -0.752 119.110 119.800 0.103 0.000 2.079 359 Q HA -0.135 4.206 4.340 0.002 0.000 0.200 359 Q C 2.192 178.227 176.000 0.059 0.000 0.974 359 Q CA 1.649 57.493 55.803 0.069 0.000 0.840 359 Q CB -0.569 28.195 28.738 0.043 0.000 0.898 359 Q HN 0.744 nan 8.270 nan 0.000 0.430 360 H N -0.862 118.227 119.070 0.031 0.000 2.470 360 H HA 0.031 4.588 4.556 0.002 0.000 0.289 360 H C 1.959 177.339 175.328 0.087 0.000 1.033 360 H CA 0.857 56.931 56.048 0.044 0.000 1.331 360 H CB 0.123 29.882 29.762 -0.004 0.000 1.414 360 H HN 0.342 nan 8.280 nan 0.000 0.545 361 G N 1.399 110.303 108.800 0.174 0.000 2.446 361 G HA2 -0.268 3.694 3.960 0.002 0.000 0.217 361 G HA3 -0.268 3.694 3.960 0.002 0.000 0.217 361 G C 1.760 176.707 174.900 0.079 0.000 1.168 361 G CA 0.541 45.706 45.100 0.107 0.000 0.771 361 G HN 0.295 nan 8.290 nan 0.000 0.551 362 K N -0.966 119.479 120.400 0.075 0.000 2.057 362 K HA -0.084 4.238 4.320 0.002 0.000 0.207 362 K C 2.153 178.777 176.600 0.041 0.000 1.049 362 K CA 1.122 57.435 56.287 0.043 0.000 0.931 362 K CB -0.314 32.209 32.500 0.038 0.000 0.714 362 K HN 0.419 nan 8.250 nan 0.000 0.440 363 Y N 1.229 121.497 120.300 -0.054 0.000 2.114 363 Y HA -0.271 4.280 4.550 0.003 0.000 0.284 363 Y C 2.069 177.930 175.900 -0.066 0.000 1.143 363 Y CA 1.330 59.387 58.100 -0.071 0.000 1.135 363 Y CB -0.278 38.115 38.460 -0.113 0.000 0.980 363 Y HN -0.017 nan 8.280 nan 0.000 0.499 364 L N 0.947 122.231 121.223 0.102 0.000 2.012 364 L HA -0.201 4.141 4.340 0.002 0.000 0.210 364 L C 2.465 179.252 176.870 -0.137 0.000 1.073 364 L CA 2.235 57.052 54.840 -0.039 0.000 0.748 364 L CB -1.019 41.022 42.059 -0.031 0.000 0.891 364 L HN 0.226 nan 8.230 nan 0.000 0.431 365 R N 0.125 120.576 120.500 -0.082 0.000 2.081 365 R HA -0.073 4.268 4.340 0.002 0.000 0.235 365 R C 2.187 178.420 176.300 -0.113 0.000 1.131 365 R CA 1.750 57.803 56.100 -0.078 0.000 0.960 365 R CB -0.975 29.302 30.300 -0.039 0.000 0.856 365 R HN 0.476 nan 8.270 nan 0.000 0.436 366 A N 0.881 123.613 122.820 -0.147 0.000 1.917 366 A HA -0.184 4.138 4.320 0.002 0.000 0.219 366 A C 2.046 179.501 177.584 -0.215 0.000 1.182 366 A CA 1.718 53.647 52.037 -0.181 0.000 0.633 366 A CB -0.508 18.356 19.000 -0.226 0.000 0.819 366 A HN 0.248 nan 8.150 nan 0.000 0.448 367 R N -0.284 120.044 120.500 -0.286 0.000 2.120 367 R HA 0.007 4.349 4.340 0.002 0.000 0.234 367 R C 1.981 178.178 176.300 -0.172 0.000 1.123 367 R CA 1.057 57.011 56.100 -0.243 0.000 0.975 367 R CB -1.069 29.075 30.300 -0.259 0.000 0.866 367 R HN 0.626 nan 8.270 nan 0.000 0.446 368 L N 0.513 121.638 121.223 -0.164 0.000 2.156 368 L HA -0.121 4.220 4.340 0.002 0.000 0.208 368 L C 1.712 178.514 176.870 -0.113 0.000 1.095 368 L CA 0.988 55.745 54.840 -0.139 0.000 0.770 368 L CB -0.402 41.613 42.059 -0.073 0.000 0.914 368 L HN 0.037 nan 8.230 nan 0.000 0.439 369 D N 0.341 120.684 120.400 -0.094 0.000 2.117 369 D HA -0.177 4.464 4.640 0.002 0.000 0.197 369 D C 2.072 178.328 176.300 -0.073 0.000 0.987 369 D CA 1.140 55.096 54.000 -0.073 0.000 0.829 369 D CB 0.022 40.780 40.800 -0.069 0.000 0.961 369 D HN 0.363 nan 8.370 nan 0.000 0.460 370 E N 0.348 120.496 120.200 -0.088 0.000 2.058 370 E HA -0.131 4.220 4.350 0.002 0.000 0.194 370 E C 2.397 178.972 176.600 -0.041 0.000 0.997 370 E CA 0.433 56.790 56.400 -0.072 0.000 0.801 370 E CB -0.101 29.548 29.700 -0.085 0.000 0.746 370 E HN 0.230 nan 8.360 nan 0.000 0.450 371 L N 0.447 121.643 121.223 -0.045 0.000 2.042 371 L HA -0.249 4.093 4.340 0.002 0.000 0.210 371 L C 2.566 179.464 176.870 0.047 0.000 1.076 371 L CA 1.111 55.962 54.840 0.020 0.000 0.749 371 L CB -0.479 41.492 42.059 -0.147 0.000 0.893 371 L HN 0.193 nan 8.230 nan 0.000 0.432 372 A N -0.205 122.588 122.820 -0.044 0.000 1.908 372 A HA -0.211 4.111 4.320 0.002 0.000 0.218 372 A C 2.506 180.087 177.584 -0.005 0.000 1.181 372 A CA 1.816 53.840 52.037 -0.023 0.000 0.627 372 A CB -0.706 18.273 19.000 -0.035 0.000 0.818 372 A HN 0.444 nan 8.150 nan 0.000 0.445 373 A N -0.064 122.738 122.820 -0.030 0.000 1.877 373 A HA -0.189 4.133 4.320 0.002 0.000 0.216 373 A C 1.759 179.287 177.584 -0.093 0.000 1.186 373 A CA 1.957 53.962 52.037 -0.052 0.000 0.620 373 A CB -0.578 18.387 19.000 -0.059 0.000 0.822 373 A HN 0.449 nan 8.150 nan 0.000 0.443 374 D N -1.511 118.815 120.400 -0.124 0.000 2.224 374 D HA 0.017 4.659 4.640 0.002 0.000 0.205 374 D C -0.178 175.749 176.300 -0.622 0.000 0.965 374 D CA 0.918 54.703 54.000 -0.359 0.000 0.852 374 D CB -0.091 40.474 40.800 -0.391 0.000 0.947 374 D HN 0.468 nan 8.370 nan 0.000 0.494 375 F N 0.025 119.939 119.950 -0.059 0.000 2.577 375 F HA 0.246 4.775 4.527 0.002 0.000 0.342 375 F C -1.635 174.140 175.800 -0.041 0.000 1.479 375 F CA -1.604 56.367 58.000 -0.048 0.000 1.110 375 F CB 1.473 40.437 39.000 -0.060 0.000 1.306 375 F HN -0.162 nan 8.300 nan 0.000 0.554 376 P HA -0.192 nan 4.420 nan 0.000 0.219 376 P C 1.338 178.672 177.300 0.057 0.000 1.146 376 P CA 1.404 64.528 63.100 0.040 0.000 0.808 376 P CB 0.360 32.062 31.700 0.003 0.000 0.779 377 A N -1.004 121.859 122.820 0.072 0.000 2.178 377 A HA 0.151 4.472 4.320 0.002 0.000 0.211 377 A C 2.020 179.654 177.584 0.083 0.000 1.157 377 A CA 0.767 52.845 52.037 0.068 0.000 0.780 377 A CB -0.493 18.543 19.000 0.060 0.000 0.828 377 A HN 0.117 nan 8.150 nan 0.000 0.476 378 V N -1.606 118.372 119.914 0.107 0.000 3.137 378 V HA 0.088 4.209 4.120 0.002 0.000 0.236 378 V C 0.460 176.614 176.094 0.100 0.000 1.260 378 V CA 0.395 62.755 62.300 0.101 0.000 1.244 378 V CB 0.698 32.583 31.823 0.104 0.000 1.016 378 V HN 0.066 nan 8.190 nan 0.000 0.477 379 V N 3.883 123.837 119.914 0.066 0.000 2.304 379 V HA 0.365 4.487 4.120 0.002 0.000 0.262 379 V C -0.328 175.802 176.094 0.061 0.000 1.061 379 V CA 0.018 62.308 62.300 -0.016 0.000 0.872 379 V CB 0.403 32.078 31.823 -0.247 0.000 1.077 379 V HN 0.246 nan 8.190 nan 0.000 0.480 380 L N 3.483 124.804 121.223 0.164 0.000 2.325 380 L HA 0.560 4.902 4.340 0.002 0.000 0.279 380 L C 0.655 177.621 176.870 0.160 0.000 1.054 380 L CA -0.643 54.277 54.840 0.134 0.000 0.804 380 L CB 0.830 42.962 42.059 0.120 0.000 1.200 380 L HN 0.551 nan 8.230 nan 0.000 0.436 381 D N 1.436 121.899 120.400 0.106 0.000 2.697 381 D HA -0.114 4.527 4.640 0.002 0.000 0.238 381 D C -2.210 174.164 176.300 0.124 0.000 1.152 381 D CA -0.053 54.005 54.000 0.097 0.000 0.666 381 D CB -0.247 40.611 40.800 0.097 0.000 1.037 381 D HN 0.180 nan 8.370 nan 0.000 0.423 382 P HA 0.117 nan 4.420 nan 0.000 0.268 382 P C 0.005 177.339 177.300 0.056 0.000 1.204 382 P CA 0.368 63.541 63.100 0.122 0.000 0.768 382 P CB 0.635 32.362 31.700 0.045 0.000 0.842 383 R N 1.048 121.584 120.500 0.060 0.000 2.712 383 R HA 0.832 5.174 4.340 0.002 0.000 0.272 383 R C -1.235 175.047 176.300 -0.030 0.000 1.032 383 R CA -0.961 55.106 56.100 -0.055 0.000 0.874 383 R CB 1.118 31.354 30.300 -0.107 0.000 1.256 383 R HN 0.617 nan 8.270 nan 0.000 0.468 384 G N 0.766 109.466 108.800 -0.166 0.000 2.361 384 G HA2 0.375 4.336 3.960 0.002 0.000 0.299 384 G HA3 0.375 4.336 3.960 0.002 0.000 0.299 384 G C -2.026 172.907 174.900 0.056 0.000 1.544 384 G CA -1.028 44.093 45.100 0.035 0.000 0.860 384 G HN 0.626 nan 8.290 nan 0.000 0.610 385 R N 0.448 121.075 120.500 0.211 0.000 2.502 385 R HA 0.593 4.934 4.340 0.002 0.000 0.298 385 R C 0.973 177.334 176.300 0.102 0.000 1.018 385 R CA 0.946 57.136 56.100 0.151 0.000 0.899 385 R CB 1.192 31.624 30.300 0.219 0.000 1.181 385 R HN 2.378 nan 8.270 nan 0.000 0.444 386 G N 2.781 111.620 108.800 0.066 0.000 2.611 386 G HA2 -0.343 3.619 3.960 0.002 0.000 0.301 386 G HA3 -0.343 3.619 3.960 0.002 0.000 0.301 386 G C 0.064 175.006 174.900 0.071 0.000 1.233 386 G CA 0.107 45.240 45.100 0.056 0.000 0.993 386 G HN 0.451 nan 8.290 nan 0.000 0.553 387 L N 0.655 121.919 121.223 0.067 0.000 2.599 387 L HA 0.399 4.740 4.340 0.002 0.000 0.230 387 L C 1.882 178.812 176.870 0.100 0.000 1.141 387 L CA 0.723 55.610 54.840 0.079 0.000 0.877 387 L CB -0.600 41.497 42.059 0.063 0.000 1.009 387 L HN 0.577 nan 8.230 nan 0.000 0.447 388 M N 0.031 119.693 119.600 0.104 0.000 2.497 388 M HA 0.196 4.677 4.480 0.002 0.000 0.336 388 M C -1.035 175.371 176.300 0.176 0.000 1.378 388 M CA 0.113 55.488 55.300 0.125 0.000 1.375 388 M CB -0.013 32.645 32.600 0.096 0.000 1.337 388 M HN 0.092 nan 8.290 nan 0.000 0.461 389 C N 3.326 122.748 119.300 0.203 0.000 2.848 389 C HA 1.027 5.488 4.460 0.002 0.000 0.317 389 C C -0.269 174.919 174.990 0.330 0.000 1.260 389 C CA -0.548 58.605 59.018 0.225 0.000 1.656 389 C CB 1.733 29.552 27.740 0.132 0.000 2.174 389 C HN 0.912 nan 8.230 nan 0.000 0.479 390 A N 0.923 123.933 122.820 0.317 0.000 2.586 390 A HA 0.956 5.278 4.320 0.002 0.000 0.290 390 A C -1.416 176.370 177.584 0.337 0.000 1.086 390 A CA -0.447 51.759 52.037 0.282 0.000 0.665 390 A CB 0.950 20.024 19.000 0.122 0.000 1.279 390 A HN 1.493 nan 8.150 nan 0.000 0.423 391 F N -1.255 118.796 119.950 0.167 0.000 2.715 391 F HA 0.900 5.429 4.527 0.002 0.000 0.318 391 F C -0.333 175.505 175.800 0.064 0.000 1.141 391 F CA -0.751 57.311 58.000 0.103 0.000 0.950 391 F CB 1.188 40.255 39.000 0.112 0.000 1.374 391 F HN 0.496 nan 8.300 nan 0.000 0.477 392 S N 0.894 116.744 115.700 0.251 0.000 2.600 392 S HA 0.830 5.302 4.470 0.002 0.000 0.300 392 S C -1.062 173.674 174.600 0.226 0.000 1.087 392 S CA -0.678 57.584 58.200 0.104 0.000 0.965 392 S CB 2.018 65.264 63.200 0.076 0.000 1.089 392 S HN 0.592 nan 8.310 nan 0.000 0.496 393 L N 1.551 122.843 121.223 0.115 0.000 2.304 393 L HA 0.485 4.827 4.340 0.002 0.000 0.268 393 L C -1.754 175.164 176.870 0.080 0.000 1.010 393 L CA -2.019 52.897 54.840 0.126 0.000 0.813 393 L CB 0.761 42.877 42.059 0.095 0.000 1.315 393 L HN 0.381 nan 8.230 nan 0.000 0.445 394 P HA -0.075 nan 4.420 nan 0.000 0.215 394 P C -0.165 177.159 177.300 0.040 0.000 1.153 394 P CA 1.082 64.215 63.100 0.055 0.000 0.853 394 P CB 0.109 31.840 31.700 0.052 0.000 0.788 395 T N -6.891 107.683 114.554 0.033 0.000 2.883 395 T HA 0.355 4.706 4.350 0.002 0.000 0.296 395 T C 1.038 175.745 174.700 0.011 0.000 1.117 395 T CA 0.020 62.133 62.100 0.022 0.000 1.006 395 T CB 1.189 70.069 68.868 0.020 0.000 1.191 395 T HN -0.044 nan 8.240 nan 0.000 0.508 396 T N -0.500 114.056 114.554 0.004 0.000 2.867 396 T HA 0.014 4.365 4.350 0.002 0.000 0.268 396 T C 2.263 176.957 174.700 -0.009 0.000 1.057 396 T CA 1.478 63.574 62.100 -0.008 0.000 1.136 396 T CB -0.949 67.912 68.868 -0.011 0.000 0.874 396 T HN 0.915 nan 8.240 nan 0.000 0.466 397 A N 2.013 124.832 122.820 -0.001 0.000 1.902 397 A HA -0.104 4.217 4.320 0.002 0.000 0.217 397 A C 2.224 179.809 177.584 0.002 0.000 1.181 397 A CA 1.893 53.929 52.037 -0.001 0.000 0.623 397 A CB -0.833 18.170 19.000 0.004 0.000 0.818 397 A HN 0.580 nan 8.150 nan 0.000 0.443 398 D N -0.773 119.633 120.400 0.009 0.000 2.117 398 D HA -0.141 4.501 4.640 0.002 0.000 0.197 398 D C 2.120 178.426 176.300 0.010 0.000 0.987 398 D CA 0.925 54.935 54.000 0.017 0.000 0.829 398 D CB -0.359 40.459 40.800 0.032 0.000 0.961 398 D HN 0.269 nan 8.370 nan 0.000 0.460 399 R N 1.135 121.633 120.500 -0.004 0.000 2.080 399 R HA -0.143 4.199 4.340 0.002 0.000 0.236 399 R C 1.373 177.647 176.300 -0.043 0.000 1.137 399 R CA 1.448 57.527 56.100 -0.035 0.000 0.943 399 R CB -0.497 29.769 30.300 -0.056 0.000 0.846 399 R HN 0.094 nan 8.270 nan 0.000 0.431 400 D N 0.276 120.655 120.400 -0.036 0.000 2.117 400 D HA -0.166 4.475 4.640 0.002 0.000 0.197 400 D C 1.841 178.127 176.300 -0.023 0.000 0.987 400 D CA 1.220 55.196 54.000 -0.039 0.000 0.829 400 D CB -0.218 40.561 40.800 -0.035 0.000 0.961 400 D HN 0.271 nan 8.370 nan 0.000 0.460 401 E N 0.382 120.577 120.200 -0.009 0.000 2.077 401 E HA -0.127 4.225 4.350 0.002 0.000 0.193 401 E C 1.954 178.563 176.600 0.014 0.000 0.989 401 E CA 0.412 56.815 56.400 0.005 0.000 0.800 401 E CB -0.395 29.311 29.700 0.010 0.000 0.746 401 E HN 0.187 nan 8.360 nan 0.000 0.452 402 L N 0.291 121.520 121.223 0.010 0.000 2.046 402 L HA -0.084 4.257 4.340 0.002 0.000 0.208 402 L C 2.152 179.034 176.870 0.020 0.000 1.077 402 L CA 1.606 56.459 54.840 0.022 0.000 0.747 402 L CB -0.378 41.704 42.059 0.037 0.000 0.896 402 L HN 0.255 nan 8.230 nan 0.000 0.432 403 I N -0.854 119.711 120.570 -0.008 0.000 2.226 403 I HA -0.302 3.870 4.170 0.002 0.000 0.245 403 I C 2.639 178.796 176.117 0.065 0.000 1.100 403 I CA 1.214 62.511 61.300 -0.004 0.000 1.374 403 I CB -0.356 37.611 38.000 -0.056 0.000 1.057 403 I HN 0.281 nan 8.210 nan 0.000 0.413 404 R N 0.287 120.819 120.500 0.054 0.000 2.073 404 R HA -0.168 4.173 4.340 0.002 0.000 0.234 404 R C 2.333 178.725 176.300 0.154 0.000 1.134 404 R CA 1.115 57.277 56.100 0.103 0.000 0.952 404 R CB -0.280 30.050 30.300 0.050 0.000 0.850 404 R HN 0.404 nan 8.270 nan 0.000 0.433 405 Q N 0.315 120.172 119.800 0.094 0.000 2.170 405 Q HA -0.120 4.222 4.340 0.002 0.000 0.203 405 Q C 2.078 178.127 176.000 0.083 0.000 0.976 405 Q CA 1.057 56.907 55.803 0.077 0.000 0.858 405 Q CB -0.104 28.661 28.738 0.045 0.000 0.907 405 Q HN 0.205 nan 8.270 nan 0.000 0.433 406 L N -0.373 120.910 121.223 0.100 0.000 2.109 406 L HA -0.099 4.242 4.340 0.002 0.000 0.207 406 L C 1.957 178.904 176.870 0.128 0.000 1.086 406 L CA 1.274 56.172 54.840 0.096 0.000 0.760 406 L CB -1.237 40.874 42.059 0.088 0.000 0.910 406 L HN 0.430 nan 8.230 nan 0.000 0.437 407 W N 0.725 122.040 121.300 0.026 0.000 2.338 407 W HA -0.256 4.405 4.660 0.002 0.000 0.304 407 W C 2.144 178.720 176.519 0.095 0.000 1.212 407 W CA 1.543 58.928 57.345 0.067 0.000 1.264 407 W CB -0.105 29.368 29.460 0.023 0.000 1.142 407 W HN 0.331 nan 8.180 nan 0.000 0.512 408 Q N -0.047 119.792 119.800 0.065 0.000 2.170 408 Q HA -0.172 4.170 4.340 0.002 0.000 0.203 408 Q C 1.923 177.846 176.000 -0.128 0.000 0.976 408 Q CA 1.314 57.099 55.803 -0.031 0.000 0.858 408 Q CB -0.275 28.497 28.738 0.057 0.000 0.907 408 Q HN 0.275 nan 8.270 nan 0.000 0.433 409 R N -0.283 120.156 120.500 -0.101 0.000 2.356 409 R HA 0.244 4.586 4.340 0.002 0.000 0.234 409 R C 0.387 176.567 176.300 -0.200 0.000 0.929 409 R CA 0.458 56.488 56.100 -0.118 0.000 1.084 409 R CB 0.438 30.713 30.300 -0.043 0.000 1.105 409 R HN 0.170 nan 8.270 nan 0.000 0.515 410 A N 0.020 122.632 122.820 -0.347 0.000 2.930 410 A HA -0.142 4.180 4.320 0.002 0.000 0.273 410 A C -0.079 177.400 177.584 -0.176 0.000 1.435 410 A CA 0.588 52.297 52.037 -0.547 0.000 0.780 410 A CB -1.910 16.636 19.000 -0.758 0.000 1.034 410 A HN 0.100 nan 8.150 nan 0.000 0.562 411 V N 0.678 120.573 119.914 -0.031 0.000 2.444 411 V HA 0.547 4.669 4.120 0.002 0.000 0.294 411 V C 0.218 176.396 176.094 0.140 0.000 1.022 411 V CA -0.308 62.029 62.300 0.062 0.000 0.850 411 V CB 1.744 33.606 31.823 0.065 0.000 0.992 411 V HN 0.421 nan 8.190 nan 0.000 0.426 412 I N 6.350 127.012 120.570 0.153 0.000 2.304 412 I HA 0.570 4.741 4.170 0.002 0.000 0.291 412 I C 0.010 176.174 176.117 0.078 0.000 1.018 412 I CA -0.489 60.905 61.300 0.157 0.000 1.260 412 I CB 1.349 39.425 38.000 0.126 0.000 1.390 412 I HN 0.533 nan 8.210 nan 0.000 0.475 413 V N 4.660 124.577 119.914 0.004 0.000 3.126 413 V HA 0.671 4.793 4.120 0.002 0.000 0.314 413 V C -0.775 175.265 176.094 -0.089 0.000 1.138 413 V CA -0.969 61.270 62.300 -0.101 0.000 1.034 413 V CB 2.284 33.922 31.823 -0.310 0.000 1.075 413 V HN 0.546 nan 8.190 nan 0.000 0.442 414 L N 2.555 123.713 121.223 -0.108 0.000 2.346 414 L HA 0.655 4.997 4.340 0.002 0.000 0.274 414 L C -2.376 174.410 176.870 -0.141 0.000 1.007 414 L CA -1.816 52.980 54.840 -0.073 0.000 0.818 414 L CB 2.832 44.901 42.059 0.017 0.000 1.284 414 L HN 0.571 nan 8.230 nan 0.000 0.424 415 P HA 0.426 nan 4.420 nan 0.000 0.276 415 P C -1.458 175.771 177.300 -0.119 0.000 1.261 415 P CA -0.407 62.611 63.100 -0.137 0.000 0.800 415 P CB 1.789 33.421 31.700 -0.113 0.000 1.066 416 A N -0.170 122.579 122.820 -0.119 0.000 2.574 416 A HA 0.690 5.011 4.320 0.002 0.000 0.297 416 A C 0.219 177.751 177.584 -0.087 0.000 1.062 416 A CA -0.071 51.904 52.037 -0.103 0.000 0.686 416 A CB 0.887 19.825 19.000 -0.104 0.000 1.285 416 A HN 0.853 nan 8.150 nan 0.000 0.403 417 G N 0.445 109.204 108.800 -0.069 0.000 2.581 417 G HA2 0.124 4.086 3.960 0.002 0.000 0.291 417 G HA3 0.124 4.086 3.960 0.002 0.000 0.291 417 G C 1.239 176.115 174.900 -0.040 0.000 1.277 417 G CA 1.413 46.484 45.100 -0.048 0.000 0.959 417 G HN 2.317 nan 8.290 nan 0.000 0.554 418 A N -0.965 121.838 122.820 -0.029 0.000 1.975 418 A HA 0.389 4.711 4.320 0.002 0.000 0.215 418 A C 1.590 179.158 177.584 -0.028 0.000 1.170 418 A CA 2.276 54.301 52.037 -0.019 0.000 0.656 418 A CB -0.060 18.939 19.000 -0.001 0.000 0.821 418 A HN 1.517 nan 8.150 nan 0.000 0.449 419 D N -2.936 117.441 120.400 -0.037 0.000 2.615 419 D HA 0.145 4.786 4.640 0.002 0.000 0.274 419 D C -0.204 176.052 176.300 -0.072 0.000 1.512 419 D CA -0.019 53.958 54.000 -0.038 0.000 0.803 419 D CB -0.752 40.046 40.800 -0.004 0.000 1.182 419 D HN -0.004 nan 8.370 nan 0.000 0.473 420 T N 0.264 114.754 114.554 -0.106 0.000 2.867 420 T HA 0.591 4.942 4.350 0.002 0.000 0.282 420 T C -0.265 174.285 174.700 -0.251 0.000 1.000 420 T CA -0.529 61.473 62.100 -0.163 0.000 1.042 420 T CB 2.269 71.064 68.868 -0.122 0.000 0.973 420 T HN -0.098 nan 8.240 nan 0.000 0.465 421 V N 4.691 124.349 119.914 -0.427 0.000 2.448 421 V HA 0.538 4.660 4.120 0.002 0.000 0.295 421 V C 0.167 175.983 176.094 -0.463 0.000 1.025 421 V CA -0.943 61.045 62.300 -0.520 0.000 0.859 421 V CB 1.384 32.718 31.823 -0.816 0.000 0.988 421 V HN 0.808 nan 8.190 nan 0.000 0.431 422 R N 3.463 123.751 120.500 -0.353 0.000 2.664 422 R HA 0.689 5.031 4.340 0.002 0.000 0.286 422 R C -1.739 174.375 176.300 -0.309 0.000 0.967 422 R CA -0.568 55.411 56.100 -0.201 0.000 0.933 422 R CB 1.678 31.930 30.300 -0.081 0.000 1.146 422 R HN 0.385 nan 8.270 nan 0.000 0.468 423 F N 1.233 121.190 119.950 0.011 0.000 2.427 423 F HA 0.472 5.000 4.527 0.002 0.000 0.346 423 F C 0.540 176.359 175.800 0.032 0.000 1.120 423 F CA -0.899 57.124 58.000 0.038 0.000 1.033 423 F CB 1.675 40.714 39.000 0.066 0.000 1.126 423 F HN 0.266 nan 8.300 nan 0.000 0.462 424 R N 3.247 123.842 120.500 0.158 0.000 2.629 424 R HA 0.290 4.632 4.340 0.002 0.000 0.277 424 R C -2.992 173.344 176.300 0.060 0.000 1.637 424 R CA -1.845 54.306 56.100 0.085 0.000 1.663 424 R CB 0.537 30.850 30.300 0.022 0.000 1.228 424 R HN 0.276 nan 8.270 nan 0.000 0.632 425 P HA 0.287 nan 4.420 nan 0.000 0.276 425 P C -2.504 174.791 177.300 -0.007 0.000 1.252 425 P CA -1.643 61.481 63.100 0.040 0.000 0.802 425 P CB 0.107 31.844 31.700 0.062 0.000 1.035 426 P HA 0.176 nan 4.420 nan 0.000 0.272 426 P C 1.165 178.435 177.300 -0.051 0.000 1.230 426 P CA -0.146 62.926 63.100 -0.048 0.000 0.788 426 P CB 0.435 32.098 31.700 -0.060 0.000 0.949 427 L N 0.447 121.642 121.223 -0.048 0.000 2.261 427 L HA -0.136 4.206 4.340 0.002 0.000 0.216 427 L C 1.798 178.594 176.870 -0.124 0.000 1.114 427 L CA 1.976 56.779 54.840 -0.061 0.000 0.777 427 L CB -1.247 40.790 42.059 -0.037 0.000 0.910 427 L HN 0.503 nan 8.230 nan 0.000 0.440 428 T N -4.036 110.447 114.554 -0.117 0.000 3.086 428 T HA 0.131 4.483 4.350 0.002 0.000 0.250 428 T C 0.685 175.287 174.700 -0.162 0.000 1.074 428 T CA -0.304 61.711 62.100 -0.141 0.000 0.988 428 T CB -0.194 68.622 68.868 -0.087 0.000 0.988 428 T HN 0.004 nan 8.240 nan 0.000 0.530 429 V N 3.947 123.769 119.914 -0.155 0.000 2.814 429 V HA 0.287 4.409 4.120 0.002 0.000 0.307 429 V C 0.669 176.670 176.094 -0.155 0.000 1.089 429 V CA 0.093 62.326 62.300 -0.112 0.000 1.212 429 V CB 0.501 32.290 31.823 -0.056 0.000 0.912 429 V HN 0.825 nan 8.190 nan 0.000 0.497 430 S N 3.393 119.074 115.700 -0.031 0.000 2.713 430 S HA 0.338 4.810 4.470 0.002 0.000 0.283 430 S C 1.214 175.869 174.600 0.091 0.000 1.161 430 S CA 0.042 58.274 58.200 0.052 0.000 0.999 430 S CB 1.472 64.696 63.200 0.040 0.000 1.039 430 S HN 1.034 nan 8.310 nan 0.000 0.548 431 T N -1.669 112.887 114.554 0.004 0.000 2.904 431 T HA 0.035 4.387 4.350 0.002 0.000 0.267 431 T C 1.944 176.595 174.700 -0.082 0.000 1.059 431 T CA 0.841 62.780 62.100 -0.269 0.000 1.137 431 T CB -0.909 67.516 68.868 -0.738 0.000 0.879 431 T HN 0.850 nan 8.240 nan 0.000 0.467 432 A N 2.001 124.809 122.820 -0.020 0.000 1.930 432 A HA -0.067 4.255 4.320 0.002 0.000 0.217 432 A C 2.288 179.918 177.584 0.076 0.000 1.175 432 A CA 1.538 53.598 52.037 0.038 0.000 0.627 432 A CB -0.656 18.367 19.000 0.037 0.000 0.815 432 A HN 0.629 nan 8.150 nan 0.000 0.443 433 E N -0.302 119.944 120.200 0.078 0.000 2.077 433 E HA -0.135 4.216 4.350 0.002 0.000 0.193 433 E C 1.824 178.471 176.600 0.079 0.000 0.989 433 E CA 1.204 57.652 56.400 0.079 0.000 0.800 433 E CB -0.277 29.446 29.700 0.039 0.000 0.746 433 E HN 0.694 nan 8.360 nan 0.000 0.452 434 I N 1.486 122.113 120.570 0.096 0.000 2.226 434 I HA -0.273 3.898 4.170 0.002 0.000 0.245 434 I C 1.789 177.987 176.117 0.135 0.000 1.100 434 I CA 1.009 62.384 61.300 0.124 0.000 1.374 434 I CB -0.185 37.936 38.000 0.200 0.000 1.057 434 I HN 0.051 nan 8.210 nan 0.000 0.413 435 D N 1.063 121.558 120.400 0.159 0.000 2.097 435 D HA -0.167 4.474 4.640 0.002 0.000 0.195 435 D C 2.283 178.642 176.300 0.097 0.000 0.989 435 D CA 1.643 55.725 54.000 0.136 0.000 0.827 435 D CB -0.272 40.607 40.800 0.132 0.000 0.966 435 D HN 0.349 nan 8.370 nan 0.000 0.456 436 A N 1.021 123.898 122.820 0.095 0.000 1.940 436 A HA -0.106 4.215 4.320 0.002 0.000 0.219 436 A C 2.308 179.948 177.584 0.093 0.000 1.176 436 A CA 2.397 54.487 52.037 0.088 0.000 0.631 436 A CB -0.683 18.379 19.000 0.103 0.000 0.814 436 A HN 0.253 nan 8.150 nan 0.000 0.446 437 A N -0.187 122.700 122.820 0.112 0.000 1.898 437 A HA -0.011 4.310 4.320 0.002 0.000 0.216 437 A C 2.009 179.692 177.584 0.166 0.000 1.181 437 A CA 1.526 53.660 52.037 0.160 0.000 0.620 437 A CB -0.422 18.718 19.000 0.232 0.000 0.819 437 A HN 0.403 nan 8.150 nan 0.000 0.442 438 I N 0.057 120.694 120.570 0.111 0.000 2.252 438 I HA -0.203 3.968 4.170 0.002 0.000 0.245 438 I C 2.948 179.105 176.117 0.067 0.000 1.102 438 I CA 1.359 62.704 61.300 0.075 0.000 1.385 438 I CB -1.634 36.375 38.000 0.015 0.000 1.064 438 I HN 0.358 nan 8.210 nan 0.000 0.414 439 A N 1.114 123.973 122.820 0.065 0.000 1.908 439 A HA -0.180 4.141 4.320 0.002 0.000 0.218 439 A C 2.581 180.196 177.584 0.052 0.000 1.181 439 A CA 2.185 54.255 52.037 0.055 0.000 0.627 439 A CB -0.791 18.239 19.000 0.051 0.000 0.818 439 A HN 0.423 nan 8.150 nan 0.000 0.445 440 A N -0.708 122.149 122.820 0.063 0.000 1.933 440 A HA 0.005 4.327 4.320 0.002 0.000 0.218 440 A C 2.230 179.847 177.584 0.055 0.000 1.175 440 A CA 1.807 53.877 52.037 0.056 0.000 0.628 440 A CB -0.851 18.187 19.000 0.064 0.000 0.814 440 A HN 0.404 nan 8.150 nan 0.000 0.444 441 V N -0.187 119.776 119.914 0.082 0.000 2.358 441 V HA -0.240 3.881 4.120 0.002 0.000 0.246 441 V C 2.601 178.664 176.094 -0.052 0.000 1.047 441 V CA 2.133 64.471 62.300 0.063 0.000 1.035 441 V CB -0.794 31.118 31.823 0.147 0.000 0.658 441 V HN 0.517 nan 8.190 nan 0.000 0.452 442 R N -0.071 120.408 120.500 -0.035 0.000 2.091 442 R HA -0.145 4.197 4.340 0.002 0.000 0.238 442 R C 2.583 178.871 176.300 -0.020 0.000 1.136 442 R CA 1.751 57.827 56.100 -0.040 0.000 0.959 442 R CB -0.439 29.906 30.300 0.076 0.000 0.856 442 R HN 0.448 nan 8.270 nan 0.000 0.437 443 S N 0.303 116.007 115.700 0.006 0.000 2.383 443 S HA -0.098 4.374 4.470 0.002 0.000 0.227 443 S C 1.939 176.536 174.600 -0.005 0.000 1.026 443 S CA 1.209 59.417 58.200 0.014 0.000 0.981 443 S CB 0.000 63.211 63.200 0.019 0.000 0.818 443 S HN 0.479 nan 8.310 nan 0.000 0.472 444 A N 0.945 123.753 122.820 -0.020 0.000 2.016 444 A HA 0.185 4.507 4.320 0.002 0.000 0.217 444 A C 2.027 179.580 177.584 -0.053 0.000 1.162 444 A CA 0.592 52.618 52.037 -0.017 0.000 0.662 444 A CB -0.493 18.512 19.000 0.007 0.000 0.812 444 A HN 0.422 nan 8.150 nan 0.000 0.450 445 L N -0.383 120.753 121.223 -0.146 0.000 2.017 445 L HA -0.124 4.217 4.340 0.002 0.000 0.208 445 L C -0.506 176.293 176.870 -0.118 0.000 1.073 445 L CA 1.525 56.217 54.840 -0.246 0.000 0.745 445 L CB -1.280 40.354 42.059 -0.708 0.000 0.894 445 L HN 0.229 nan 8.230 nan 0.000 0.432 446 P HA -0.134 nan 4.420 nan 0.000 0.218 446 P C 1.827 179.148 177.300 0.034 0.000 1.148 446 P CA 1.076 64.212 63.100 0.059 0.000 0.822 446 P CB 0.072 31.828 31.700 0.094 0.000 0.784 447 V N -0.198 119.724 119.914 0.015 0.000 2.358 447 V HA -0.168 3.953 4.120 0.002 0.000 0.246 447 V C 2.455 178.558 176.094 0.016 0.000 1.047 447 V CA 1.853 64.164 62.300 0.017 0.000 1.035 447 V CB -1.255 30.578 31.823 0.016 0.000 0.658 447 V HN 0.051 nan 8.190 nan 0.000 0.452 448 V N 1.005 120.923 119.914 0.007 0.000 2.295 448 V HA -0.138 3.984 4.120 0.002 0.000 0.246 448 V C 1.843 177.949 176.094 0.020 0.000 1.049 448 V CA 2.211 64.518 62.300 0.011 0.000 1.024 448 V CB -0.763 31.065 31.823 0.008 0.000 0.648 448 V HN 0.788 nan 8.190 nan 0.000 0.447 449 T N 0.000 114.569 114.554 0.025 0.000 3.816 449 T HA 0.000 4.351 4.350 0.002 0.000 0.228 449 T CA 0.000 62.125 62.100 0.041 0.000 1.349 449 T CB 0.000 68.908 68.868 0.067 0.000 0.612 449 T HN 0.000 nan 8.240 nan 0.000 0.658