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 2jjh_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 FVAEPIQGAG 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 0.000 174.708 174.700 0.013 0.000 1.109 15 T CA 0.000 62.105 62.100 0.009 0.000 1.349 15 T CB 0.000 68.873 68.868 0.007 0.000 0.612 16 T N 0.438 115.004 114.554 0.019 0.000 2.888 16 T HA 0.636 4.988 4.350 0.002 0.000 0.284 16 T C -1.849 172.872 174.700 0.035 0.000 1.017 16 T CA -2.010 60.105 62.100 0.025 0.000 1.022 16 T CB 1.030 69.912 68.868 0.024 0.000 1.013 16 T HN 0.336 nan 8.240 nan 0.000 0.465 17 P HA -0.143 nan 4.420 nan 0.000 0.216 17 P C 1.155 178.504 177.300 0.082 0.000 1.157 17 P CA 1.274 64.409 63.100 0.058 0.000 0.880 17 P CB 0.019 31.754 31.700 0.059 0.000 0.791 18 D N -0.991 119.450 120.400 0.069 0.000 2.350 18 D HA -0.166 4.475 4.640 0.002 0.000 0.216 18 D C 1.548 177.895 176.300 0.079 0.000 0.968 18 D CA 0.942 54.986 54.000 0.073 0.000 0.894 18 D CB -0.484 40.345 40.800 0.048 0.000 0.909 18 D HN 0.221 nan 8.370 nan 0.000 0.520 19 R N -0.261 120.281 120.500 0.070 0.000 2.397 19 R HA 0.193 4.535 4.340 0.002 0.000 0.241 19 R C 2.077 178.417 176.300 0.066 0.000 0.914 19 R CA -0.136 56.002 56.100 0.063 0.000 1.071 19 R CB 0.551 30.875 30.300 0.039 0.000 1.116 19 R HN -0.022 nan 8.270 nan 0.000 0.524 20 V N 0.774 120.729 119.914 0.068 0.000 2.282 20 V HA -0.343 3.778 4.120 0.002 0.000 0.249 20 V C 2.050 178.129 176.094 -0.025 0.000 1.057 20 V CA 1.882 64.186 62.300 0.007 0.000 1.032 20 V CB -0.526 31.279 31.823 -0.029 0.000 0.645 20 V HN 0.468 nan 8.190 nan 0.000 0.447 21 H N -0.543 118.533 119.070 0.010 0.000 2.389 21 H HA -0.144 4.414 4.556 0.002 0.000 0.299 21 H C 2.420 177.751 175.328 0.004 0.000 1.081 21 H CA 1.697 57.749 56.048 0.006 0.000 1.345 21 H CB 0.127 29.893 29.762 0.007 0.000 1.393 21 H HN 0.637 nan 8.280 nan 0.000 0.520 22 E N 1.195 121.472 120.200 0.129 0.000 2.047 22 E HA -0.114 4.238 4.350 0.002 0.000 0.191 22 E C 2.258 178.881 176.600 0.038 0.000 0.987 22 E CA 1.101 57.543 56.400 0.070 0.000 0.799 22 E CB 0.087 29.820 29.700 0.055 0.000 0.752 22 E HN 0.082 nan 8.360 nan 0.000 0.449 23 V N 1.453 121.382 119.914 0.026 0.000 2.307 23 V HA -0.244 3.877 4.120 0.002 0.000 0.245 23 V C 2.558 178.651 176.094 -0.002 0.000 1.045 23 V CA 1.515 63.820 62.300 0.009 0.000 1.024 23 V CB -0.446 31.378 31.823 0.002 0.000 0.651 23 V HN 0.334 nan 8.190 nan 0.000 0.449 24 L N 0.400 121.613 121.223 -0.016 0.000 2.012 24 L HA -0.119 4.222 4.340 0.002 0.000 0.210 24 L C 2.649 179.514 176.870 -0.009 0.000 1.073 24 L CA 1.858 56.682 54.840 -0.028 0.000 0.748 24 L CB -1.250 40.768 42.059 -0.067 0.000 0.891 24 L HN 0.487 nan 8.230 nan 0.000 0.431 25 G N -0.422 108.382 108.800 0.008 0.000 2.516 25 G HA2 -0.256 3.705 3.960 0.002 0.000 0.221 25 G HA3 -0.256 3.705 3.960 0.002 0.000 0.221 25 G C 1.707 176.615 174.900 0.014 0.000 1.107 25 G CA 0.447 45.559 45.100 0.020 0.000 0.747 25 G HN 0.333 nan 8.290 nan 0.000 0.567 26 R N -0.058 120.448 120.500 0.010 0.000 2.115 26 R HA 0.055 4.396 4.340 0.002 0.000 0.226 26 R C 2.274 178.577 176.300 0.005 0.000 1.100 26 R CA 1.292 57.396 56.100 0.008 0.000 0.980 26 R CB -0.026 30.278 30.300 0.007 0.000 0.875 26 R HN 0.319 nan 8.270 nan 0.000 0.445 27 S N -0.204 115.497 115.700 0.002 0.000 2.506 27 S HA 0.223 4.695 4.470 0.002 0.000 0.219 27 S C 0.548 175.149 174.600 0.001 0.000 1.031 27 S CA -0.001 58.199 58.200 0.000 0.000 0.911 27 S CB 0.560 63.758 63.200 -0.003 0.000 0.812 27 S HN 0.200 nan 8.310 nan 0.000 0.497 28 M N 0.016 119.616 119.600 0.000 0.000 2.569 28 M HA 0.583 5.065 4.480 0.002 0.000 0.279 28 M C -1.548 174.754 176.300 0.004 0.000 1.253 28 M CA -0.994 54.306 55.300 0.001 0.000 0.867 28 M CB 1.241 33.838 32.600 -0.004 0.000 1.727 28 M HN -0.115 nan 8.290 nan 0.000 0.467 29 L N 1.756 122.983 121.223 0.006 0.000 2.513 29 L HA 0.252 4.594 4.340 0.002 0.000 0.272 29 L C -0.513 176.360 176.870 0.006 0.000 1.187 29 L CA 0.458 55.303 54.840 0.008 0.000 0.895 29 L CB 1.039 43.104 42.059 0.011 0.000 1.147 29 L HN 0.621 nan 8.230 nan 0.000 0.483 30 V N 6.055 125.976 119.914 0.012 0.000 2.446 30 V HA 0.240 4.361 4.120 0.002 0.000 0.257 30 V C 0.161 176.270 176.094 0.025 0.000 1.036 30 V CA -0.217 62.093 62.300 0.017 0.000 1.196 30 V CB 0.284 32.126 31.823 0.032 0.000 1.446 30 V HN 0.971 nan 8.190 nan 0.000 0.558 31 D N 0.774 121.175 120.400 0.001 0.000 2.342 31 D HA 0.161 4.802 4.640 0.002 0.000 0.221 31 D C 0.957 177.230 176.300 -0.044 0.000 1.101 31 D CA 0.236 54.224 54.000 -0.019 0.000 0.837 31 D CB 0.761 41.548 40.800 -0.023 0.000 0.938 31 D HN 0.429 nan 8.370 nan 0.000 0.508 32 G N 0.664 109.446 108.800 -0.030 0.000 2.514 32 G HA2 0.370 4.332 3.960 0.002 0.000 0.245 32 G HA3 0.370 4.332 3.960 0.002 0.000 0.245 32 G C 0.320 175.157 174.900 -0.105 0.000 1.488 32 G CA -0.686 44.379 45.100 -0.058 0.000 1.063 32 G HN 0.180 nan 8.290 nan 0.000 0.557 33 L N -0.896 120.249 121.223 -0.131 0.000 2.476 33 L HA 0.119 4.460 4.340 0.002 0.000 0.264 33 L C 0.879 177.726 176.870 -0.039 0.000 1.224 33 L CA -0.074 54.630 54.840 -0.227 0.000 0.821 33 L CB 0.489 42.411 42.059 -0.227 0.000 1.101 33 L HN 0.457 nan 8.230 nan 0.000 0.488 34 D N 0.047 120.404 120.400 -0.072 0.000 2.325 34 D HA 0.199 4.840 4.640 0.002 0.000 0.225 34 D C -0.054 176.352 176.300 0.176 0.000 1.096 34 D CA 0.075 54.112 54.000 0.062 0.000 0.844 34 D CB 0.057 40.918 40.800 0.102 0.000 0.925 34 D HN 0.344 nan 8.370 nan 0.000 0.513 35 I N -3.605 117.099 120.570 0.223 0.000 3.023 35 I HA 0.576 4.748 4.170 0.002 0.000 0.312 35 I C -0.651 175.599 176.117 0.221 0.000 1.056 35 I CA -1.207 60.206 61.300 0.188 0.000 1.033 35 I CB 2.004 40.035 38.000 0.052 0.000 1.233 35 I HN -0.443 nan 8.210 nan 0.000 0.462 36 V N 3.743 123.758 119.914 0.168 0.000 2.409 36 V HA 0.327 4.449 4.120 0.002 0.000 0.291 36 V C 0.065 176.220 176.094 0.102 0.000 1.020 36 V CA -0.663 61.711 62.300 0.122 0.000 0.848 36 V CB 1.566 33.458 31.823 0.115 0.000 0.990 36 V HN 0.584 nan 8.190 nan 0.000 0.430 37 L N 4.188 125.469 121.223 0.097 0.000 2.462 37 L HA 0.187 4.529 4.340 0.002 0.000 0.272 37 L C 0.329 177.257 176.870 0.097 0.000 1.166 37 L CA 0.233 55.145 54.840 0.119 0.000 0.880 37 L CB 0.588 42.735 42.059 0.146 0.000 1.142 37 L HN 0.707 nan 8.230 nan 0.000 0.473 38 D N 5.146 125.609 120.400 0.105 0.000 2.339 38 D HA 0.090 4.732 4.640 0.002 0.000 0.241 38 D C 1.006 177.361 176.300 0.092 0.000 1.183 38 D CA -0.165 53.887 54.000 0.086 0.000 0.859 38 D CB 1.211 42.061 40.800 0.083 0.000 1.067 38 D HN 0.507 nan 8.370 nan 0.000 0.484 39 L N 2.640 123.906 121.223 0.072 0.000 2.217 39 L HA -0.098 4.243 4.340 0.002 0.000 0.211 39 L C 2.188 179.099 176.870 0.068 0.000 1.107 39 L CA 0.799 55.681 54.840 0.071 0.000 0.783 39 L CB -0.116 41.966 42.059 0.038 0.000 0.919 39 L HN 0.375 nan 8.230 nan 0.000 0.442 40 T N -1.090 113.499 114.554 0.057 0.000 2.976 40 T HA -0.006 4.345 4.350 0.002 0.000 0.257 40 T C 1.992 176.729 174.700 0.062 0.000 1.051 40 T CA 0.777 62.908 62.100 0.053 0.000 1.141 40 T CB 0.116 69.008 68.868 0.040 0.000 0.881 40 T HN 0.231 nan 8.240 nan 0.000 0.461 41 R N 0.904 121.444 120.500 0.067 0.000 2.254 41 R HA 0.260 4.602 4.340 0.002 0.000 0.195 41 R C 0.597 176.948 176.300 0.085 0.000 0.957 41 R CA -0.048 56.092 56.100 0.066 0.000 1.024 41 R CB 0.298 30.631 30.300 0.055 0.000 0.952 41 R HN 0.128 nan 8.270 nan 0.000 0.484 42 S N 0.210 115.975 115.700 0.108 0.000 2.560 42 S HA 0.389 4.861 4.470 0.002 0.000 0.284 42 S C 0.275 174.950 174.600 0.125 0.000 1.327 42 S CA -0.060 58.221 58.200 0.135 0.000 1.055 42 S CB 1.533 64.828 63.200 0.158 0.000 0.868 42 S HN 0.431 nan 8.310 nan 0.000 0.506 43 G N 0.116 109.001 108.800 0.142 0.000 2.761 43 G HA2 0.588 4.549 3.960 0.002 0.000 0.296 43 G HA3 0.588 4.549 3.960 0.002 0.000 0.296 43 G C 0.101 175.088 174.900 0.144 0.000 1.416 43 G CA 0.146 45.320 45.100 0.123 0.000 1.105 43 G HN 1.113 nan 8.290 nan 0.000 0.565 44 G N 1.516 110.372 108.800 0.093 0.000 2.591 44 G HA2 -0.217 3.744 3.960 0.002 0.000 0.298 44 G HA3 -0.217 3.744 3.960 0.002 0.000 0.298 44 G C 1.384 176.298 174.900 0.023 0.000 1.195 44 G CA 0.818 45.959 45.100 0.069 0.000 0.989 44 G HN 1.671 nan 8.290 nan 0.000 0.551 45 S N 0.703 116.391 115.700 -0.021 0.000 2.634 45 S HA 0.413 4.885 4.470 0.002 0.000 0.221 45 S C -0.356 173.964 174.600 -0.466 0.000 0.952 45 S CA 0.404 58.456 58.200 -0.246 0.000 0.930 45 S CB -0.067 62.931 63.200 -0.337 0.000 0.780 45 S HN 0.401 nan 8.310 nan 0.000 0.498 46 Y N 0.838 121.159 120.300 0.035 0.000 2.350 46 Y HA 0.497 5.049 4.550 0.002 0.000 0.338 46 Y C -0.087 175.857 175.900 0.074 0.000 0.961 46 Y CA -0.994 57.141 58.100 0.058 0.000 1.100 46 Y CB 0.927 39.415 38.460 0.046 0.000 1.179 46 Y HN -0.038 nan 8.280 nan 0.000 0.454 47 L N 4.181 125.542 121.223 0.230 0.000 2.334 47 L HA 0.586 4.928 4.340 0.002 0.000 0.277 47 L C -0.554 176.468 176.870 0.254 0.000 1.075 47 L CA -1.100 53.865 54.840 0.209 0.000 0.804 47 L CB 1.133 43.291 42.059 0.165 0.000 1.174 47 L HN 0.326 nan 8.230 nan 0.000 0.438 48 V N 1.165 121.199 119.914 0.200 0.000 2.435 48 V HA 0.167 4.289 4.120 0.002 0.000 0.290 48 V C -0.280 175.916 176.094 0.169 0.000 1.030 48 V CA -0.608 61.801 62.300 0.183 0.000 0.881 48 V CB 1.906 33.804 31.823 0.126 0.000 0.983 48 V HN 0.649 nan 8.190 nan 0.000 0.445 49 D N 3.536 124.052 120.400 0.193 0.000 2.325 49 D HA 0.383 5.025 4.640 0.002 0.000 0.251 49 D C 0.932 177.304 176.300 0.119 0.000 1.196 49 D CA 0.173 54.266 54.000 0.156 0.000 0.866 49 D CB 1.867 42.793 40.800 0.209 0.000 1.101 49 D HN 0.601 nan 8.370 nan 0.000 0.476 50 A N 4.261 127.142 122.820 0.102 0.000 2.070 50 A HA -0.109 4.213 4.320 0.002 0.000 0.220 50 A C 2.080 179.709 177.584 0.075 0.000 1.159 50 A CA 0.872 52.958 52.037 0.081 0.000 0.656 50 A CB -0.433 18.611 19.000 0.072 0.000 0.800 50 A HN 0.755 nan 8.150 nan 0.000 0.453 51 I N -0.462 120.161 120.570 0.087 0.000 2.235 51 I HA -0.149 4.023 4.170 0.002 0.000 0.241 51 I C 2.667 178.822 176.117 0.063 0.000 1.085 51 I CA 1.807 63.152 61.300 0.075 0.000 1.378 51 I CB -0.344 37.705 38.000 0.081 0.000 1.076 51 I HN 0.471 nan 8.210 nan 0.000 0.415 52 T N -2.716 111.882 114.554 0.074 0.000 3.037 52 T HA 0.317 4.668 4.350 0.002 0.000 0.251 52 T C 1.631 176.358 174.700 0.044 0.000 1.079 52 T CA 0.506 62.639 62.100 0.056 0.000 1.067 52 T CB 0.686 69.590 68.868 0.060 0.000 0.948 52 T HN 0.515 nan 8.240 nan 0.000 0.496 53 G N 1.664 110.500 108.800 0.059 0.000 2.179 53 G HA2 -0.306 3.656 3.960 0.002 0.000 0.260 53 G HA3 -0.306 3.656 3.960 0.002 0.000 0.260 53 G C 0.227 175.148 174.900 0.035 0.000 0.977 53 G CA 0.162 45.289 45.100 0.044 0.000 0.641 53 G HN 0.837 nan 8.290 nan 0.000 0.533 54 R N 0.608 121.134 120.500 0.043 0.000 2.623 54 R HA 0.554 4.896 4.340 0.002 0.000 0.271 54 R C 0.524 176.844 176.300 0.032 0.000 1.043 54 R CA 0.201 56.289 56.100 -0.019 0.000 1.083 54 R CB 0.200 30.462 30.300 -0.063 0.000 0.974 54 R HN 0.356 nan 8.270 nan 0.000 0.436 55 R N 2.653 123.108 120.500 -0.076 0.000 2.393 55 R HA 0.307 4.648 4.340 0.002 0.000 0.310 55 R C -1.268 175.010 176.300 -0.036 0.000 0.968 55 R CA -0.343 55.777 56.100 0.033 0.000 0.867 55 R CB 1.076 31.352 30.300 -0.041 0.000 1.124 55 R HN 0.536 nan 8.270 nan 0.000 0.450 56 Y N 2.907 123.275 120.300 0.112 0.000 2.328 56 Y HA 0.272 4.823 4.550 0.002 0.000 0.336 56 Y C -0.367 175.594 175.900 0.103 0.000 0.960 56 Y CA -1.013 57.113 58.100 0.043 0.000 1.134 56 Y CB 1.481 39.901 38.460 -0.067 0.000 1.166 56 Y HN 0.385 nan 8.280 nan 0.000 0.464 57 L N 4.555 125.868 121.223 0.149 0.000 2.477 57 L HA 0.165 4.507 4.340 0.002 0.000 0.272 57 L C -0.273 176.577 176.870 -0.034 0.000 1.157 57 L CA 0.240 55.008 54.840 -0.120 0.000 0.889 57 L CB 0.111 42.135 42.059 -0.060 0.000 1.158 57 L HN 0.574 nan 8.230 nan 0.000 0.473 58 D N 5.996 126.322 120.400 -0.124 0.000 2.443 58 D HA 0.228 4.869 4.640 0.002 0.000 0.221 58 D C -0.173 176.135 176.300 0.013 0.000 1.097 58 D CA -0.165 53.834 54.000 -0.002 0.000 0.865 58 D CB 0.618 41.389 40.800 -0.048 0.000 1.034 58 D HN 0.482 nan 8.370 nan 0.000 0.511 59 M N 4.481 124.143 119.600 0.104 0.000 2.869 59 M HA 0.167 4.648 4.480 0.002 0.000 0.338 59 M C -0.260 176.127 176.300 0.145 0.000 1.227 59 M CA -0.252 55.126 55.300 0.130 0.000 0.946 59 M CB -0.184 32.543 32.600 0.212 0.000 1.299 59 M HN 0.476 nan 8.290 nan 0.000 0.518 60 F N 0.292 120.203 119.950 -0.065 0.000 2.455 60 F HA 0.100 4.628 4.527 0.002 0.000 0.278 60 F C 0.994 176.732 175.800 -0.103 0.000 0.887 60 F CA 1.281 59.236 58.000 -0.075 0.000 1.104 60 F CB 0.236 39.199 39.000 -0.061 0.000 0.949 60 F HN 0.284 nan 8.300 nan 0.000 0.750 61 T N 0.558 114.769 114.554 -0.572 0.000 3.720 61 T HA -0.301 4.050 4.350 0.002 0.000 0.381 61 T C -0.187 174.038 174.700 -0.792 0.000 0.763 61 T CA 0.529 62.226 62.100 -0.671 0.000 1.957 61 T CB -3.466 65.219 68.868 -0.305 0.000 1.767 61 T HN 0.876 nan 8.240 nan 0.000 0.743 62 F N -1.834 117.453 119.950 -1.104 0.000 2.969 62 F HA -0.162 4.366 4.527 0.002 0.000 0.273 62 F C 1.213 176.637 175.800 -0.626 0.000 0.986 62 F CA 0.192 57.731 58.000 -0.769 0.000 0.926 62 F CB -2.613 36.233 39.000 -0.258 0.000 0.887 62 F HN 1.150 nan 8.300 nan 0.000 0.816 63 V N -1.753 117.671 119.914 -0.817 0.000 5.820 63 V HA -0.093 4.029 4.120 0.002 0.000 0.300 63 V C 1.360 177.348 176.094 -0.177 0.000 0.585 63 V CA 1.041 63.165 62.300 -0.294 0.000 0.629 63 V CB -2.254 29.533 31.823 -0.060 0.000 0.291 63 V HN 2.379 nan 8.190 nan 0.000 0.887 64 A N -0.127 122.558 122.820 -0.225 0.000 2.861 64 A HA -0.249 4.072 4.320 0.002 0.000 0.261 64 A C 1.705 179.268 177.584 -0.035 0.000 1.351 64 A CA 2.028 54.005 52.037 -0.101 0.000 0.904 64 A CB -1.934 17.043 19.000 -0.038 0.000 1.076 64 A HN 2.343 nan 8.150 nan 0.000 0.729 65 S N -1.170 114.517 115.700 -0.022 0.000 2.575 65 S HA 0.477 4.948 4.470 0.002 0.000 0.215 65 S C 0.543 175.197 174.600 0.090 0.000 0.966 65 S CA 0.874 59.111 58.200 0.061 0.000 0.911 65 S CB -0.005 63.245 63.200 0.084 0.000 0.780 65 S HN 1.879 nan 8.310 nan 0.000 0.514 66 S N 0.232 115.965 115.700 0.055 0.000 2.530 66 S HA 0.744 5.216 4.470 0.002 0.000 0.322 66 S C 0.770 175.377 174.600 0.012 0.000 1.085 66 S CA -0.213 58.030 58.200 0.072 0.000 1.096 66 S CB 1.271 64.525 63.200 0.090 0.000 0.988 66 S HN 0.431 nan 8.310 nan 0.000 0.466 67 A N 4.704 127.537 122.820 0.023 0.000 1.935 67 A HA 0.294 4.615 4.320 0.002 0.000 0.214 67 A C 1.392 178.962 177.584 -0.022 0.000 1.178 67 A CA 0.642 52.679 52.037 -0.001 0.000 0.640 67 A CB -0.325 18.677 19.000 0.003 0.000 0.825 67 A HN 0.810 nan 8.150 nan 0.000 0.447 68 L N -0.973 120.241 121.223 -0.016 0.000 2.857 68 L HA 0.403 4.745 4.340 0.002 0.000 0.249 68 L C 1.110 177.969 176.870 -0.020 0.000 1.172 68 L CA 0.064 54.887 54.840 -0.029 0.000 0.980 68 L CB -0.530 41.509 42.059 -0.033 0.000 1.299 68 L HN 0.555 nan 8.230 nan 0.000 0.535 69 G N 0.723 109.510 108.800 -0.023 0.000 2.750 69 G HA2 -0.221 3.740 3.960 0.002 0.000 0.228 69 G HA3 -0.221 3.740 3.960 0.002 0.000 0.228 69 G C -0.230 174.691 174.900 0.035 0.000 1.367 69 G CA -0.793 44.290 45.100 -0.028 0.000 0.871 69 G HN -0.073 nan 8.290 nan 0.000 0.560 70 M N 1.417 121.049 119.600 0.053 0.000 2.238 70 M HA 0.194 4.675 4.480 0.002 0.000 0.347 70 M C 1.082 177.440 176.300 0.097 0.000 1.173 70 M CA -0.047 55.325 55.300 0.120 0.000 1.147 70 M CB 0.045 32.729 32.600 0.140 0.000 1.547 70 M HN 0.745 nan 8.290 nan 0.000 0.455 71 N N 1.007 119.769 118.700 0.103 0.000 2.686 71 N HA -0.134 4.608 4.740 0.002 0.000 0.261 71 N C -2.451 173.102 175.510 0.072 0.000 1.001 71 N CA 0.312 53.416 53.050 0.090 0.000 0.764 71 N CB -1.465 37.076 38.487 0.090 0.000 0.898 71 N HN 0.384 nan 8.380 nan 0.000 0.544 72 P HA 0.144 nan 4.420 nan 0.000 0.271 72 P C -1.663 175.652 177.300 0.025 0.000 1.220 72 P CA -1.182 61.934 63.100 0.026 0.000 0.768 72 P CB 0.576 32.274 31.700 -0.003 0.000 0.848 73 P HA -0.227 nan 4.420 nan 0.000 0.217 73 P C 1.401 178.704 177.300 0.005 0.000 1.151 73 P CA 2.060 65.172 63.100 0.020 0.000 0.849 73 P CB -0.381 31.323 31.700 0.007 0.000 0.787 74 A N -1.828 120.975 122.820 -0.028 0.000 2.070 74 A HA -0.135 4.186 4.320 0.002 0.000 0.220 74 A C 1.936 179.472 177.584 -0.082 0.000 1.159 74 A CA 1.438 53.439 52.037 -0.061 0.000 0.656 74 A CB -1.245 17.698 19.000 -0.093 0.000 0.800 74 A HN 0.121 nan 8.150 nan 0.000 0.453 75 L N -1.729 119.464 121.223 -0.050 0.000 2.286 75 L HA 0.069 4.410 4.340 0.002 0.000 0.203 75 L C 2.383 179.432 176.870 0.299 0.000 1.068 75 L CA 0.815 55.653 54.840 -0.003 0.000 0.811 75 L CB -0.409 41.629 42.059 -0.035 0.000 0.989 75 L HN 0.129 nan 8.230 nan 0.000 0.467 76 V N -0.129 119.921 119.914 0.225 0.000 2.407 76 V HA -0.236 3.886 4.120 0.002 0.000 0.248 76 V C 1.556 177.786 176.094 0.226 0.000 1.055 76 V CA 1.738 64.218 62.300 0.299 0.000 1.049 76 V CB -0.428 31.492 31.823 0.162 0.000 0.662 76 V HN 0.408 nan 8.190 nan 0.000 0.455 77 D N -1.032 119.413 120.400 0.075 0.000 2.354 77 D HA 0.028 4.669 4.640 0.002 0.000 0.209 77 D C 0.799 177.028 176.300 -0.118 0.000 1.015 77 D CA 0.293 54.275 54.000 -0.031 0.000 0.867 77 D CB -0.077 40.715 40.800 -0.014 0.000 0.933 77 D HN 0.338 nan 8.370 nan 0.000 0.520 78 D N 0.383 120.738 120.400 -0.074 0.000 2.374 78 D HA 0.127 4.769 4.640 0.002 0.000 0.240 78 D C 1.448 177.651 176.300 -0.162 0.000 1.229 78 D CA -0.009 53.967 54.000 -0.040 0.000 0.895 78 D CB 0.595 41.444 40.800 0.081 0.000 1.046 78 D HN 0.005 nan 8.370 nan 0.000 0.498 79 R N 3.572 123.955 120.500 -0.195 0.000 2.092 79 R HA -0.116 4.225 4.340 0.002 0.000 0.231 79 R C 1.969 178.250 176.300 -0.031 0.000 1.119 79 R CA 1.694 57.673 56.100 -0.201 0.000 0.970 79 R CB -0.974 29.251 30.300 -0.124 0.000 0.864 79 R HN 0.590 nan 8.270 nan 0.000 0.440 80 E N -0.854 119.363 120.200 0.027 0.000 2.106 80 E HA -0.063 4.288 4.350 0.002 0.000 0.192 80 E C 1.762 178.437 176.600 0.125 0.000 0.984 80 E CA 1.191 57.631 56.400 0.066 0.000 0.806 80 E CB -0.202 29.538 29.700 0.067 0.000 0.750 80 E HN 0.614 nan 8.360 nan 0.000 0.458 81 F N 1.141 121.117 119.950 0.043 0.000 2.113 81 F HA -0.183 4.345 4.527 0.002 0.000 0.297 81 F C 2.026 177.924 175.800 0.162 0.000 1.103 81 F CA 1.653 59.707 58.000 0.090 0.000 1.248 81 F CB -0.322 38.736 39.000 0.096 0.000 0.999 81 F HN 0.023 nan 8.300 nan 0.000 0.475 82 H N 0.188 119.186 119.070 -0.119 0.000 2.357 82 H HA -0.170 4.387 4.556 0.002 0.000 0.296 82 H C 2.346 177.547 175.328 -0.211 0.000 1.108 82 H CA 1.468 57.400 56.048 -0.194 0.000 1.273 82 H CB -1.115 28.619 29.762 -0.046 0.000 1.367 82 H HN 0.373 nan 8.280 nan 0.000 0.498 83 A N 0.640 123.460 122.820 0.001 0.000 1.898 83 A HA -0.161 4.161 4.320 0.002 0.000 0.216 83 A C 2.264 179.792 177.584 -0.094 0.000 1.181 83 A CA 1.644 53.660 52.037 -0.035 0.000 0.620 83 A CB -0.285 18.714 19.000 -0.003 0.000 0.819 83 A HN 0.517 nan 8.150 nan 0.000 0.442 84 E N -0.655 119.470 120.200 -0.125 0.000 2.047 84 E HA -0.164 4.188 4.350 0.002 0.000 0.191 84 E C 1.944 178.409 176.600 -0.225 0.000 0.987 84 E CA 1.183 57.506 56.400 -0.128 0.000 0.799 84 E CB -0.269 29.398 29.700 -0.055 0.000 0.752 84 E HN 0.462 nan 8.360 nan 0.000 0.449 85 L N 0.619 121.567 121.223 -0.457 0.000 2.042 85 L HA -0.182 4.160 4.340 0.002 0.000 0.210 85 L C 2.308 179.017 176.870 -0.269 0.000 1.076 85 L CA 1.593 56.157 54.840 -0.461 0.000 0.749 85 L CB -0.288 41.298 42.059 -0.789 0.000 0.893 85 L HN 0.175 nan 8.230 nan 0.000 0.432 86 M N -0.680 118.783 119.600 -0.229 0.000 2.099 86 M HA -0.225 4.257 4.480 0.002 0.000 0.262 86 M C 2.310 178.542 176.300 -0.113 0.000 1.067 86 M CA 2.005 57.213 55.300 -0.152 0.000 1.124 86 M CB -0.710 31.819 32.600 -0.118 0.000 1.353 86 M HN 0.491 nan 8.290 nan 0.000 0.410 87 Q N -0.763 118.976 119.800 -0.101 0.000 2.124 87 Q HA -0.145 4.197 4.340 0.002 0.000 0.202 87 Q C 1.733 177.690 176.000 -0.073 0.000 0.977 87 Q CA 1.837 57.597 55.803 -0.071 0.000 0.850 87 Q CB -0.180 28.524 28.738 -0.056 0.000 0.901 87 Q HN 0.638 nan 8.270 nan 0.000 0.429 88 A N 0.098 122.862 122.820 -0.095 0.000 1.975 88 A HA 0.162 4.484 4.320 0.002 0.000 0.215 88 A C 2.122 179.642 177.584 -0.106 0.000 1.170 88 A CA 1.006 52.989 52.037 -0.091 0.000 0.656 88 A CB -0.444 18.498 19.000 -0.097 0.000 0.821 88 A HN 0.493 nan 8.150 nan 0.000 0.449 89 A N -0.413 122.335 122.820 -0.120 0.000 2.067 89 A HA 0.177 4.499 4.320 0.002 0.000 0.217 89 A C 1.970 179.491 177.584 -0.105 0.000 1.156 89 A CA 0.837 52.800 52.037 -0.123 0.000 0.683 89 A CB -0.456 18.465 19.000 -0.131 0.000 0.808 89 A HN 0.428 nan 8.150 nan 0.000 0.455 90 L N -0.216 120.955 121.223 -0.087 0.000 2.201 90 L HA -0.063 4.278 4.340 0.002 0.000 0.212 90 L C 0.334 177.165 176.870 -0.064 0.000 1.105 90 L CA 0.627 55.425 54.840 -0.069 0.000 0.775 90 L CB -0.243 41.783 42.059 -0.054 0.000 0.913 90 L HN 0.425 nan 8.230 nan 0.000 0.440 91 N N -0.811 117.847 118.700 -0.070 0.000 2.509 91 N HA 0.260 5.001 4.740 0.002 0.000 0.280 91 N C -0.865 174.589 175.510 -0.094 0.000 1.306 91 N CA -0.610 52.404 53.050 -0.060 0.000 0.782 91 N CB 1.970 40.437 38.487 -0.032 0.000 1.493 91 N HN -0.160 nan 8.380 nan 0.000 0.498 92 K N 1.647 121.994 120.400 -0.087 0.000 2.753 92 K HA 0.297 4.618 4.320 0.002 0.000 0.185 92 K C -2.523 174.073 176.600 -0.005 0.000 1.071 92 K CA -1.306 54.884 56.287 -0.163 0.000 0.999 92 K CB 0.652 32.913 32.500 -0.398 0.000 1.244 92 K HN 0.351 nan 8.250 nan 0.000 0.594 93 P HA 0.001 nan 4.420 nan 0.000 0.270 93 P C -0.545 176.895 177.300 0.233 0.000 1.223 93 P CA -0.209 62.957 63.100 0.109 0.000 0.785 93 P CB 0.800 32.534 31.700 0.056 0.000 0.923 94 S N 0.900 116.731 115.700 0.220 0.000 2.701 94 S HA 0.108 4.579 4.470 0.002 0.000 0.317 94 S C 0.953 175.621 174.600 0.114 0.000 1.149 94 S CA -0.744 57.580 58.200 0.206 0.000 1.052 94 S CB -0.836 62.404 63.200 0.067 0.000 1.257 94 S HN 0.283 nan 8.310 nan 0.000 0.532 95 N N 2.767 121.558 118.700 0.152 0.000 2.430 95 N HA -0.106 4.636 4.740 0.002 0.000 0.186 95 N C 1.350 176.967 175.510 0.178 0.000 1.032 95 N CA 0.947 54.089 53.050 0.155 0.000 0.893 95 N CB -0.334 38.250 38.487 0.161 0.000 0.957 95 N HN 0.596 nan 8.380 nan 0.000 0.442 96 S N 1.046 116.824 115.700 0.130 0.000 2.383 96 S HA -0.144 4.327 4.470 0.002 0.000 0.229 96 S C 1.024 175.662 174.600 0.063 0.000 1.030 96 S CA 1.735 60.015 58.200 0.133 0.000 1.002 96 S CB -0.053 63.198 63.200 0.085 0.000 0.829 96 S HN 0.624 nan 8.310 nan 0.000 0.467 97 D N -1.074 119.273 120.400 -0.088 0.000 2.486 97 D HA 0.153 4.794 4.640 0.002 0.000 0.243 97 D C -0.273 175.744 176.300 -0.472 0.000 1.146 97 D CA -0.058 53.791 54.000 -0.252 0.000 0.821 97 D CB 0.092 40.823 40.800 -0.115 0.000 1.201 97 D HN 0.170 nan 8.370 nan 0.000 0.525 98 V N 2.238 121.938 119.914 -0.358 0.000 2.349 98 V HA 0.350 4.472 4.120 0.002 0.000 0.284 98 V C -1.001 174.976 176.094 -0.195 0.000 1.014 98 V CA -0.923 61.195 62.300 -0.303 0.000 0.826 98 V CB 0.249 32.010 31.823 -0.105 0.000 1.009 98 V HN -0.023 nan 8.190 nan 0.000 0.431 99 Y N 2.269 122.605 120.300 0.059 0.000 2.326 99 Y HA 0.730 5.281 4.550 0.002 0.000 0.324 99 Y C 0.908 176.838 175.900 0.050 0.000 1.291 99 Y CA -0.955 57.182 58.100 0.061 0.000 1.348 99 Y CB 1.418 39.918 38.460 0.066 0.000 1.294 99 Y HN 0.732 nan 8.280 nan 0.000 0.525 100 S N -1.986 113.854 115.700 0.233 0.000 2.565 100 S HA 0.392 4.863 4.470 0.002 0.000 0.269 100 S C -0.195 174.473 174.600 0.113 0.000 1.153 100 S CA -0.781 57.499 58.200 0.134 0.000 0.835 100 S CB 1.013 64.269 63.200 0.094 0.000 1.122 100 S HN 0.262 nan 8.310 nan 0.000 0.462 101 V N 1.648 121.612 119.914 0.083 0.000 2.287 101 V HA -0.165 3.956 4.120 0.002 0.000 0.248 101 V C 3.058 179.198 176.094 0.076 0.000 1.053 101 V CA 2.775 65.118 62.300 0.071 0.000 1.027 101 V CB -1.603 30.253 31.823 0.056 0.000 0.646 101 V HN 1.053 nan 8.190 nan 0.000 0.447 102 A N -0.505 122.357 122.820 0.070 0.000 1.892 102 A HA -0.338 3.984 4.320 0.002 0.000 0.218 102 A C 2.308 179.954 177.584 0.103 0.000 1.188 102 A CA 2.675 54.756 52.037 0.073 0.000 0.631 102 A CB -0.590 18.433 19.000 0.040 0.000 0.822 102 A HN 0.543 nan 8.150 nan 0.000 0.447 103 M N -0.474 119.188 119.600 0.104 0.000 2.117 103 M HA -0.149 4.333 4.480 0.002 0.000 0.262 103 M C 2.256 178.651 176.300 0.158 0.000 1.065 103 M CA 1.878 57.262 55.300 0.140 0.000 1.114 103 M CB -0.275 32.413 32.600 0.146 0.000 1.361 103 M HN 0.421 nan 8.290 nan 0.000 0.408 104 A N 0.627 123.511 122.820 0.107 0.000 1.933 104 A HA -0.169 4.152 4.320 0.002 0.000 0.218 104 A C 2.039 179.659 177.584 0.060 0.000 1.175 104 A CA 1.674 53.750 52.037 0.066 0.000 0.628 104 A CB -0.607 18.420 19.000 0.046 0.000 0.814 104 A HN 0.620 nan 8.150 nan 0.000 0.444 105 R N -1.752 118.799 120.500 0.086 0.000 2.092 105 R HA -0.061 4.280 4.340 0.002 0.000 0.231 105 R C 2.008 178.365 176.300 0.095 0.000 1.119 105 R CA 1.444 57.593 56.100 0.081 0.000 0.970 105 R CB -0.530 29.826 30.300 0.093 0.000 0.864 105 R HN 0.620 nan 8.270 nan 0.000 0.440 106 F N 1.483 121.442 119.950 0.014 0.000 2.075 106 F HA -0.204 4.325 4.527 0.002 0.000 0.297 106 F C 1.938 177.758 175.800 0.032 0.000 1.113 106 F CA 1.362 59.364 58.000 0.003 0.000 1.218 106 F CB -0.566 38.392 39.000 -0.070 0.000 0.984 106 F HN -0.291 nan 8.300 nan 0.000 0.472 107 V N 1.968 121.632 119.914 -0.416 0.000 2.332 107 V HA -0.326 3.795 4.120 0.002 0.000 0.248 107 V C 2.542 178.542 176.094 -0.156 0.000 1.055 107 V CA 2.332 64.393 62.300 -0.399 0.000 1.038 107 V CB -1.147 30.639 31.823 -0.060 0.000 0.651 107 V HN 0.636 nan 8.190 nan 0.000 0.450 108 E N 0.796 120.953 120.200 -0.071 0.000 2.150 108 E HA -0.244 4.107 4.350 0.002 0.000 0.193 108 E C 2.140 178.726 176.600 -0.023 0.000 0.985 108 E CA 1.740 58.127 56.400 -0.021 0.000 0.814 108 E CB -0.502 29.197 29.700 -0.002 0.000 0.752 108 E HN 0.640 nan 8.360 nan 0.000 0.466 109 T N -1.323 113.203 114.554 -0.047 0.000 2.985 109 T HA -0.111 4.240 4.350 0.002 0.000 0.266 109 T C 1.574 176.243 174.700 -0.051 0.000 1.076 109 T CA 0.547 62.626 62.100 -0.036 0.000 1.135 109 T CB -0.517 68.345 68.868 -0.011 0.000 0.890 109 T HN 0.283 nan 8.240 nan 0.000 0.480 110 F N 2.384 122.167 119.950 -0.279 0.000 2.069 110 F HA 0.064 4.592 4.527 0.002 0.000 0.298 110 F C 2.646 178.393 175.800 -0.089 0.000 1.113 110 F CA 1.471 59.326 58.000 -0.242 0.000 1.214 110 F CB -0.850 37.870 39.000 -0.468 0.000 0.978 110 F HN 0.287 nan 8.300 nan 0.000 0.474 111 A N 0.374 123.307 122.820 0.189 0.000 1.902 111 A HA -0.212 4.110 4.320 0.002 0.000 0.217 111 A C 2.425 180.027 177.584 0.030 0.000 1.181 111 A CA 1.715 53.832 52.037 0.133 0.000 0.623 111 A CB -0.872 18.192 19.000 0.107 0.000 0.818 111 A HN 0.436 nan 8.150 nan 0.000 0.443 112 R N -0.359 120.140 120.500 -0.002 0.000 2.070 112 R HA -0.108 4.233 4.340 0.002 0.000 0.233 112 R C 1.916 178.188 176.300 -0.047 0.000 1.137 112 R CA 2.117 58.205 56.100 -0.021 0.000 0.945 112 R CB -0.356 29.928 30.300 -0.027 0.000 0.845 112 R HN 0.370 nan 8.270 nan 0.000 0.430 113 V N 0.425 120.281 119.914 -0.096 0.000 2.725 113 V HA -0.071 4.050 4.120 0.002 0.000 0.247 113 V C 1.944 177.964 176.094 -0.124 0.000 1.058 113 V CA 1.121 63.349 62.300 -0.120 0.000 1.080 113 V CB 0.029 31.749 31.823 -0.172 0.000 0.713 113 V HN 0.296 nan 8.190 nan 0.000 0.465 114 L N -0.477 120.597 121.223 -0.249 0.000 2.781 114 L HA 0.425 4.766 4.340 0.002 0.000 0.245 114 L C 1.444 178.356 176.870 0.070 0.000 1.118 114 L CA 0.113 54.802 54.840 -0.251 0.000 0.918 114 L CB -0.050 41.583 42.059 -0.711 0.000 1.246 114 L HN 0.385 nan 8.230 nan 0.000 0.526 115 G N 0.239 109.061 108.800 0.035 0.000 2.614 115 G HA2 0.119 4.080 3.960 0.002 0.000 0.239 115 G HA3 0.119 4.080 3.960 0.002 0.000 0.239 115 G C -1.056 173.939 174.900 0.158 0.000 1.240 115 G CA 0.065 45.249 45.100 0.141 0.000 0.842 115 G HN 0.041 nan 8.290 nan 0.000 0.584 116 D N 1.078 121.565 120.400 0.145 0.000 2.629 116 D HA 0.291 4.932 4.640 0.002 0.000 0.250 116 D C -1.414 174.920 176.300 0.057 0.000 1.126 116 D CA -2.033 52.043 54.000 0.127 0.000 0.852 116 D CB 2.464 43.376 40.800 0.187 0.000 1.335 116 D HN 0.099 nan 8.370 nan 0.000 0.518 117 P HA -0.058 nan 4.420 nan 0.000 0.225 117 P C 0.921 178.209 177.300 -0.020 0.000 1.148 117 P CA 0.474 63.578 63.100 0.007 0.000 0.779 117 P CB 0.283 31.990 31.700 0.012 0.000 0.780 118 A N -0.320 122.492 122.820 -0.012 0.000 2.119 118 A HA 0.063 4.384 4.320 0.002 0.000 0.216 118 A C 1.501 179.035 177.584 -0.083 0.000 1.152 118 A CA 0.570 52.583 52.037 -0.040 0.000 0.708 118 A CB -0.705 18.279 19.000 -0.027 0.000 0.805 118 A HN 0.206 nan 8.150 nan 0.000 0.460 119 L N 0.261 121.433 121.223 -0.086 0.000 2.637 119 L HA 0.254 4.596 4.340 0.002 0.000 0.241 119 L C -1.880 174.893 176.870 -0.161 0.000 1.398 119 L CA -1.243 53.519 54.840 -0.131 0.000 0.895 119 L CB 1.231 43.222 42.059 -0.113 0.000 1.183 119 L HN 0.090 nan 8.230 nan 0.000 0.497 120 P HA -0.108 nan 4.420 nan 0.000 0.229 120 P C 0.196 177.306 177.300 -0.317 0.000 1.160 120 P CA 0.834 63.761 63.100 -0.288 0.000 0.777 120 P CB 0.118 31.598 31.700 -0.367 0.000 0.814 121 H N 0.579 119.524 119.070 -0.209 0.000 2.800 121 H HA 0.275 4.832 4.556 0.002 0.000 0.291 121 H C 0.093 175.231 175.328 -0.318 0.000 1.076 121 H CA -0.366 55.483 56.048 -0.332 0.000 1.452 121 H CB 0.457 29.764 29.762 -0.759 0.000 1.461 121 H HN 0.006 nan 8.280 nan 0.000 0.488 122 L N 4.280 125.464 121.223 -0.066 0.000 2.334 122 L HA 0.416 4.757 4.340 0.002 0.000 0.276 122 L C -0.526 176.262 176.870 -0.136 0.000 1.014 122 L CA -0.716 54.020 54.840 -0.174 0.000 0.815 122 L CB 1.300 43.242 42.059 -0.195 0.000 1.268 122 L HN 0.482 nan 8.230 nan 0.000 0.428 123 F N 2.895 122.516 119.950 -0.547 0.000 2.596 123 F HA 0.669 5.197 4.527 0.002 0.000 0.311 123 F C -1.712 173.758 175.800 -0.551 0.000 1.116 123 F CA -0.765 57.033 58.000 -0.336 0.000 0.957 123 F CB 1.360 40.386 39.000 0.044 0.000 1.250 123 F HN 0.210 nan 8.300 nan 0.000 0.444 124 F N 5.558 125.103 119.950 -0.674 0.000 2.532 124 F HA 0.835 5.364 4.527 0.002 0.000 0.321 124 F C -0.617 174.834 175.800 -0.581 0.000 1.089 124 F CA -1.223 56.535 58.000 -0.403 0.000 0.926 124 F CB 1.960 40.904 39.000 -0.092 0.000 1.168 124 F HN 0.427 nan 8.300 nan 0.000 0.459 125 V N 1.761 121.638 119.914 -0.062 0.000 3.120 125 V HA 0.358 4.479 4.120 0.002 0.000 0.303 125 V C -1.174 174.966 176.094 0.076 0.000 1.238 125 V CA -0.744 61.544 62.300 -0.020 0.000 1.008 125 V CB 2.409 34.253 31.823 0.035 0.000 1.064 125 V HN 0.781 nan 8.190 nan 0.000 0.434 126 E N 3.096 123.355 120.200 0.099 0.000 2.257 126 E HA 0.544 4.895 4.350 0.002 0.000 0.278 126 E C 0.135 176.793 176.600 0.098 0.000 1.049 126 E CA 0.637 57.095 56.400 0.098 0.000 0.876 126 E CB 1.163 30.936 29.700 0.121 0.000 1.035 126 E HN 1.363 nan 8.360 nan 0.000 0.419 127 G N 1.782 110.638 108.800 0.093 0.000 3.233 127 G HA2 -0.102 3.859 3.960 0.002 0.000 0.686 127 G HA3 -0.102 3.859 3.960 0.002 0.000 0.686 127 G C 0.587 175.546 174.900 0.098 0.000 1.153 127 G CA -0.605 44.551 45.100 0.093 0.000 0.853 127 G HN 0.624 nan 8.290 nan 0.000 0.582 128 G N 1.045 109.914 108.800 0.115 0.000 2.446 128 G HA2 0.203 4.164 3.960 0.002 0.000 0.217 128 G HA3 0.203 4.164 3.960 0.002 0.000 0.217 128 G C 2.151 177.115 174.900 0.106 0.000 1.168 128 G CA 2.685 47.860 45.100 0.126 0.000 0.771 128 G HN 2.062 nan 8.290 nan 0.000 0.551 129 A N 0.051 122.932 122.820 0.101 0.000 1.940 129 A HA 0.063 4.384 4.320 0.002 0.000 0.219 129 A C 2.333 179.962 177.584 0.073 0.000 1.176 129 A CA 1.553 53.635 52.037 0.075 0.000 0.631 129 A CB -0.372 18.660 19.000 0.054 0.000 0.814 129 A HN 0.349 nan 8.150 nan 0.000 0.446 130 L N -0.965 120.305 121.223 0.078 0.000 2.313 130 L HA 0.112 4.453 4.340 0.002 0.000 0.214 130 L C 2.703 179.629 176.870 0.094 0.000 1.119 130 L CA 1.331 56.224 54.840 0.088 0.000 0.809 130 L CB -0.551 41.564 42.059 0.093 0.000 0.933 130 L HN 0.368 nan 8.230 nan 0.000 0.449 131 A N -1.160 121.698 122.820 0.063 0.000 1.873 131 A HA -0.136 4.185 4.320 0.002 0.000 0.215 131 A C 2.241 179.818 177.584 -0.012 0.000 1.186 131 A CA 1.842 53.884 52.037 0.008 0.000 0.616 131 A CB -0.916 18.035 19.000 -0.082 0.000 0.823 131 A HN 0.175 nan 8.150 nan 0.000 0.442 132 V N 0.364 120.281 119.914 0.005 0.000 2.392 132 V HA -0.279 3.842 4.120 0.002 0.000 0.249 132 V C 2.399 178.472 176.094 -0.036 0.000 1.059 132 V CA 2.254 64.539 62.300 -0.026 0.000 1.051 132 V CB -0.871 30.955 31.823 0.006 0.000 0.658 132 V HN 0.599 nan 8.190 nan 0.000 0.455 133 E N 0.004 120.230 120.200 0.043 0.000 2.106 133 E HA -0.175 4.177 4.350 0.002 0.000 0.192 133 E C 2.069 178.698 176.600 0.048 0.000 0.984 133 E CA 0.991 57.460 56.400 0.115 0.000 0.806 133 E CB -0.185 29.631 29.700 0.193 0.000 0.750 133 E HN 0.623 nan 8.360 nan 0.000 0.458 134 N N 0.497 119.206 118.700 0.015 0.000 2.331 134 N HA -0.083 4.659 4.740 0.002 0.000 0.180 134 N C 1.747 177.168 175.510 -0.150 0.000 1.019 134 N CA 0.813 53.819 53.050 -0.074 0.000 0.881 134 N CB 0.051 38.514 38.487 -0.039 0.000 0.972 134 N HN 0.075 nan 8.380 nan 0.000 0.435 135 A N 1.597 124.342 122.820 -0.126 0.000 1.877 135 A HA -0.072 4.250 4.320 0.002 0.000 0.216 135 A C 2.349 179.745 177.584 -0.314 0.000 1.186 135 A CA 0.909 52.839 52.037 -0.180 0.000 0.620 135 A CB -0.665 18.225 19.000 -0.183 0.000 0.822 135 A HN 0.166 nan 8.150 nan 0.000 0.443 136 L N -0.858 120.138 121.223 -0.379 0.000 2.056 136 L HA -0.188 4.154 4.340 0.002 0.000 0.207 136 L C 2.573 178.924 176.870 -0.866 0.000 1.078 136 L CA 1.705 56.098 54.840 -0.746 0.000 0.749 136 L CB -0.534 41.086 42.059 -0.731 0.000 0.901 136 L HN 0.328 nan 8.230 nan 0.000 0.433 137 K N 0.340 120.529 120.400 -0.352 0.000 2.063 137 K HA -0.192 4.130 4.320 0.002 0.000 0.208 137 K C 2.278 178.757 176.600 -0.200 0.000 1.048 137 K CA 1.497 57.722 56.287 -0.103 0.000 0.928 137 K CB -0.348 32.146 32.500 -0.010 0.000 0.713 137 K HN 0.301 nan 8.250 nan 0.000 0.442 138 A N 1.509 124.159 122.820 -0.284 0.000 1.883 138 A HA -0.198 4.123 4.320 0.002 0.000 0.217 138 A C 2.386 179.875 177.584 -0.158 0.000 1.186 138 A CA 2.116 54.000 52.037 -0.254 0.000 0.624 138 A CB -0.833 18.062 19.000 -0.174 0.000 0.822 138 A HN 0.369 nan 8.150 nan 0.000 0.444 139 A N -1.116 121.526 122.820 -0.298 0.000 1.898 139 A HA 0.053 4.374 4.320 0.002 0.000 0.216 139 A C 1.911 179.419 177.584 -0.127 0.000 1.181 139 A CA 1.574 53.447 52.037 -0.273 0.000 0.620 139 A CB -0.741 17.974 19.000 -0.476 0.000 0.819 139 A HN 0.440 nan 8.150 nan 0.000 0.442 140 F N 0.315 120.191 119.950 -0.123 0.000 2.102 140 F HA -0.141 4.387 4.527 0.002 0.000 0.298 140 F C 2.066 177.838 175.800 -0.048 0.000 1.105 140 F CA 1.351 59.279 58.000 -0.120 0.000 1.239 140 F CB -1.112 37.777 39.000 -0.185 0.000 0.991 140 F HN 0.402 nan 8.300 nan 0.000 0.474 141 D N -1.226 119.256 120.400 0.137 0.000 2.097 141 D HA -0.264 4.377 4.640 0.002 0.000 0.195 141 D C 2.166 178.519 176.300 0.089 0.000 0.989 141 D CA 1.408 55.448 54.000 0.067 0.000 0.827 141 D CB -0.410 40.386 40.800 -0.007 0.000 0.966 141 D HN 0.280 nan 8.370 nan 0.000 0.456 142 W N 1.175 122.441 121.300 -0.057 0.000 2.333 142 W HA -0.216 4.445 4.660 0.002 0.000 0.316 142 W C 2.313 178.829 176.519 -0.003 0.000 1.215 142 W CA 1.895 59.217 57.345 -0.038 0.000 1.278 142 W CB -0.368 29.049 29.460 -0.071 0.000 1.154 142 W HN -0.149 nan 8.180 nan 0.000 0.486 143 K N 0.386 120.953 120.400 0.278 0.000 2.063 143 K HA -0.206 4.115 4.320 0.002 0.000 0.208 143 K C 2.378 178.966 176.600 -0.021 0.000 1.048 143 K CA 2.106 58.462 56.287 0.113 0.000 0.928 143 K CB -0.987 31.642 32.500 0.216 0.000 0.713 143 K HN 0.143 nan 8.250 nan 0.000 0.442 144 S N -0.017 115.688 115.700 0.008 0.000 2.356 144 S HA -0.124 4.347 4.470 0.002 0.000 0.223 144 S C 1.914 176.469 174.600 -0.074 0.000 1.032 144 S CA 1.223 59.411 58.200 -0.020 0.000 1.005 144 S CB -0.183 63.015 63.200 -0.005 0.000 0.867 144 S HN 0.410 nan 8.310 nan 0.000 0.449 145 R N -0.333 120.102 120.500 -0.109 0.000 2.092 145 R HA -0.027 4.314 4.340 0.002 0.000 0.231 145 R C 2.545 178.726 176.300 -0.197 0.000 1.119 145 R CA 1.310 57.326 56.100 -0.139 0.000 0.970 145 R CB -0.727 29.494 30.300 -0.132 0.000 0.864 145 R HN 0.589 nan 8.270 nan 0.000 0.440 146 H N 1.421 120.213 119.070 -0.464 0.000 2.321 146 H HA -0.069 4.488 4.556 0.002 0.000 0.300 146 H C 1.413 176.543 175.328 -0.331 0.000 1.087 146 H CA 1.566 57.282 56.048 -0.552 0.000 1.319 146 H CB 0.162 29.258 29.762 -1.111 0.000 1.379 146 H HN 0.097 nan 8.280 nan 0.000 0.501 147 N N 1.010 119.623 118.700 -0.146 0.000 2.021 147 N HA -0.210 4.531 4.740 0.002 0.000 0.198 147 N C 2.140 177.584 175.510 -0.111 0.000 1.041 147 N CA 1.511 54.488 53.050 -0.121 0.000 0.862 147 N CB -0.767 37.680 38.487 -0.066 0.000 1.048 147 N HN 0.528 nan 8.380 nan 0.000 0.427 148 Q N 0.046 119.788 119.800 -0.096 0.000 2.077 148 Q HA -0.102 4.240 4.340 0.002 0.000 0.206 148 Q C 1.502 177.453 176.000 -0.082 0.000 0.989 148 Q CA 1.940 57.694 55.803 -0.081 0.000 0.853 148 Q CB -0.191 28.502 28.738 -0.075 0.000 0.907 148 Q HN 0.430 nan 8.270 nan 0.000 0.418 149 A N -0.770 121.999 122.820 -0.085 0.000 2.239 149 A HA -0.099 4.223 4.320 0.002 0.000 0.209 149 A C 0.539 178.024 177.584 -0.165 0.000 1.171 149 A CA 0.676 52.651 52.037 -0.104 0.000 0.768 149 A CB -0.224 18.712 19.000 -0.107 0.000 0.790 149 A HN 0.503 nan 8.150 nan 0.000 0.478 150 H N -1.609 117.307 119.070 -0.257 0.000 2.549 150 H HA 0.271 4.829 4.556 0.002 0.000 0.253 150 H C 1.394 176.615 175.328 -0.177 0.000 1.170 150 H CA 0.035 55.944 56.048 -0.231 0.000 0.943 150 H CB 0.213 29.799 29.762 -0.294 0.000 1.849 150 H HN 0.557 nan 8.280 nan 0.000 0.603 151 G N 1.844 110.603 108.800 -0.068 0.000 2.200 151 G HA2 -0.323 3.638 3.960 0.002 0.000 0.267 151 G HA3 -0.323 3.638 3.960 0.002 0.000 0.267 151 G C 0.270 175.123 174.900 -0.078 0.000 0.993 151 G CA 0.508 45.565 45.100 -0.070 0.000 0.701 151 G HN 0.368 nan 8.290 nan 0.000 0.524 152 I N 0.468 120.974 120.570 -0.107 0.000 2.532 152 I HA 0.246 4.418 4.170 0.002 0.000 0.292 152 I C 0.648 176.713 176.117 -0.086 0.000 1.014 152 I CA -0.825 60.388 61.300 -0.145 0.000 1.340 152 I CB 0.922 38.740 38.000 -0.303 0.000 1.422 152 I HN 0.029 nan 8.210 nan 0.000 0.528 153 D N 8.054 128.421 120.400 -0.056 0.000 2.520 153 D HA -0.019 4.623 4.640 0.002 0.000 0.243 153 D C -1.498 174.787 176.300 -0.026 0.000 1.160 153 D CA -1.499 52.484 54.000 -0.028 0.000 0.877 153 D CB 0.953 41.750 40.800 -0.005 0.000 1.150 153 D HN 0.242 nan 8.370 nan 0.000 0.494 154 P HA -0.022 nan 4.420 nan 0.000 0.237 154 P C 0.712 178.002 177.300 -0.016 0.000 1.178 154 P CA 0.379 63.462 63.100 -0.028 0.000 0.766 154 P CB 0.178 31.858 31.700 -0.034 0.000 0.876 155 A N -0.201 122.613 122.820 -0.009 0.000 2.119 155 A HA 0.034 4.355 4.320 0.002 0.000 0.217 155 A C 1.349 178.934 177.584 0.001 0.000 1.153 155 A CA 0.370 52.403 52.037 -0.006 0.000 0.692 155 A CB -0.842 18.159 19.000 0.000 0.000 0.799 155 A HN 0.173 nan 8.150 nan 0.000 0.458 156 L N -0.654 120.578 121.223 0.015 0.000 2.371 156 L HA 0.507 4.848 4.340 0.002 0.000 0.272 156 L C 1.022 177.916 176.870 0.039 0.000 1.124 156 L CA 0.562 55.425 54.840 0.039 0.000 0.816 156 L CB 0.968 43.072 42.059 0.076 0.000 1.129 156 L HN 0.415 nan 8.230 nan 0.000 0.448 157 G N 0.758 109.584 108.800 0.043 0.000 2.330 157 G HA2 -0.154 3.808 3.960 0.002 0.000 0.125 157 G HA3 -0.154 3.808 3.960 0.002 0.000 0.125 157 G C 0.178 175.101 174.900 0.038 0.000 1.060 157 G CA -0.055 45.083 45.100 0.063 0.000 0.743 157 G HN 0.714 nan 8.290 nan 0.000 0.480 158 T N -2.983 111.536 114.554 -0.059 0.000 3.145 158 T HA 0.503 4.854 4.350 0.002 0.000 0.281 158 T C 0.378 174.882 174.700 -0.328 0.000 1.003 158 T CA -0.033 61.899 62.100 -0.279 0.000 0.901 158 T CB 0.610 69.329 68.868 -0.249 0.000 1.112 158 T HN 0.456 nan 8.240 nan 0.000 0.535 159 Q N 0.708 120.342 119.800 -0.277 0.000 2.387 159 Q HA 0.703 5.044 4.340 0.002 0.000 0.273 159 Q C -1.493 174.076 176.000 -0.719 0.000 1.089 159 Q CA -1.086 54.323 55.803 -0.656 0.000 0.824 159 Q CB 3.219 31.810 28.738 -0.245 0.000 1.367 159 Q HN 0.136 nan 8.270 nan 0.000 0.443 160 V N 2.517 121.779 119.914 -1.087 0.000 2.443 160 V HA 0.228 4.349 4.120 0.002 0.000 0.293 160 V C -0.666 175.341 176.094 -0.144 0.000 1.021 160 V CA -0.739 61.176 62.300 -0.642 0.000 0.848 160 V CB 1.434 32.730 31.823 -0.877 0.000 0.998 160 V HN 0.590 nan 8.190 nan 0.000 0.424 161 L N 6.560 127.731 121.223 -0.087 0.000 2.367 161 L HA 0.571 4.912 4.340 0.002 0.000 0.275 161 L C -0.015 177.039 176.870 0.306 0.000 1.129 161 L CA 0.812 55.696 54.840 0.073 0.000 0.839 161 L CB -0.002 42.032 42.059 -0.040 0.000 1.133 161 L HN 0.950 nan 8.230 nan 0.000 0.453 162 H N 2.360 121.552 119.070 0.204 0.000 2.933 162 H HA 0.703 5.261 4.556 0.003 0.000 0.310 162 H C -1.515 173.989 175.328 0.293 0.000 1.351 162 H CA -1.300 54.857 56.048 0.181 0.000 1.137 162 H CB 0.624 30.448 29.762 0.105 0.000 1.853 162 H HN 0.440 nan 8.280 nan 0.000 0.539 163 L N 0.859 122.283 121.223 0.334 0.000 2.334 163 L HA 0.551 4.892 4.340 0.002 0.000 0.270 163 L C 0.371 177.406 176.870 0.276 0.000 1.018 163 L CA -1.235 53.780 54.840 0.291 0.000 0.811 163 L CB 1.534 43.812 42.059 0.366 0.000 1.271 163 L HN 0.501 nan 8.230 nan 0.000 0.443 164 R N 0.724 121.357 120.500 0.222 0.000 2.537 164 R HA 0.251 4.592 4.340 0.002 0.000 0.280 164 R C 0.886 177.331 176.300 0.242 0.000 1.058 164 R CA 0.735 56.963 56.100 0.214 0.000 1.057 164 R CB 0.379 30.784 30.300 0.175 0.000 0.973 164 R HN 0.984 nan 8.270 nan 0.000 0.438 165 G N 0.964 109.889 108.800 0.208 0.000 2.159 165 G HA2 -0.325 3.636 3.960 0.002 0.000 0.256 165 G HA3 -0.325 3.636 3.960 0.002 0.000 0.256 165 G C 0.238 175.250 174.900 0.187 0.000 0.977 165 G CA 0.131 45.335 45.100 0.174 0.000 0.652 165 G HN 0.865 nan 8.290 nan 0.000 0.531 166 A N -0.265 122.688 122.820 0.221 0.000 2.477 166 A HA 0.627 4.948 4.320 0.002 0.000 0.246 166 A C -0.326 177.293 177.584 0.060 0.000 1.078 166 A CA 0.249 52.367 52.037 0.136 0.000 0.770 166 A CB 0.385 19.546 19.000 0.269 0.000 1.011 166 A HN 1.373 nan 8.150 nan 0.000 0.494 167 F N 2.832 122.639 119.950 -0.239 0.000 2.427 167 F HA 0.502 5.030 4.527 0.002 0.000 0.348 167 F C 0.527 176.094 175.800 -0.389 0.000 1.125 167 F CA -0.426 57.460 58.000 -0.191 0.000 0.989 167 F CB 1.191 40.148 39.000 -0.071 0.000 1.165 167 F HN 0.713 nan 8.300 nan 0.000 0.442 168 H N 3.819 122.562 119.070 -0.543 0.000 3.058 168 H HA 0.447 5.004 4.556 0.002 0.000 0.266 168 H C 0.737 175.839 175.328 -0.377 0.000 1.135 168 H CA 0.430 56.305 56.048 -0.288 0.000 1.174 168 H CB 0.982 30.665 29.762 -0.132 0.000 1.581 168 H HN 0.781 nan 8.280 nan 0.000 0.553 169 G N 0.758 109.099 108.800 -0.766 0.000 2.361 169 G HA2 -0.012 3.949 3.960 0.002 0.000 0.331 169 G HA3 -0.012 3.949 3.960 0.002 0.000 0.331 169 G C -0.674 174.054 174.900 -0.287 0.000 1.324 169 G CA -1.026 43.861 45.100 -0.355 0.000 0.984 169 G HN 0.141 nan 8.290 nan 0.000 0.586 170 R N -0.065 120.396 120.500 -0.066 0.000 2.652 170 R HA 0.421 4.763 4.340 0.002 0.000 0.372 170 R C 0.940 177.196 176.300 -0.073 0.000 1.104 170 R CA 0.369 56.446 56.100 -0.038 0.000 1.072 170 R CB 0.848 31.176 30.300 0.047 0.000 1.367 170 R HN 0.711 nan 8.270 nan 0.000 0.577 171 S N -1.809 113.861 115.700 -0.050 0.000 2.722 171 S HA 0.438 4.909 4.470 0.002 0.000 0.292 171 S C 1.532 176.102 174.600 -0.050 0.000 1.135 171 S CA -0.315 57.852 58.200 -0.055 0.000 1.003 171 S CB 1.629 64.820 63.200 -0.015 0.000 1.067 171 S HN 0.147 nan 8.310 nan 0.000 0.546 172 G N 0.576 109.320 108.800 -0.095 0.000 2.732 172 G HA2 -0.287 3.675 3.960 0.002 0.000 0.222 172 G HA3 -0.287 3.675 3.960 0.002 0.000 0.222 172 G C 0.991 175.921 174.900 0.050 0.000 1.203 172 G CA 1.583 46.617 45.100 -0.111 0.000 0.780 172 G HN 0.757 nan 8.290 nan 0.000 0.621 173 Y N 1.396 121.790 120.300 0.156 0.000 2.286 173 Y HA 0.004 4.556 4.550 0.003 0.000 0.293 173 Y C 3.338 179.353 175.900 0.192 0.000 1.124 173 Y CA 1.317 59.576 58.100 0.265 0.000 1.178 173 Y CB -0.991 37.666 38.460 0.329 0.000 1.010 173 Y HN 0.382 nan 8.280 nan 0.000 0.536 174 T N -2.561 112.140 114.554 0.245 0.000 3.035 174 T HA -0.079 4.272 4.350 0.002 0.000 0.268 174 T C 1.819 176.547 174.700 0.047 0.000 1.109 174 T CA 0.555 62.725 62.100 0.116 0.000 1.119 174 T CB -0.487 68.401 68.868 0.033 0.000 0.900 174 T HN 0.018 nan 8.240 nan 0.000 0.503 175 L N 1.836 123.088 121.223 0.048 0.000 2.265 175 L HA 0.119 4.461 4.340 0.002 0.000 0.215 175 L C 2.499 179.396 176.870 0.047 0.000 1.117 175 L CA 1.052 55.915 54.840 0.037 0.000 0.782 175 L CB -1.118 40.956 42.059 0.026 0.000 0.914 175 L HN 0.309 nan 8.230 nan 0.000 0.441 176 S N -1.401 114.326 115.700 0.045 0.000 2.593 176 S HA 0.157 4.629 4.470 0.002 0.000 0.217 176 S C 1.718 176.310 174.600 -0.014 0.000 0.966 176 S CA 0.216 58.409 58.200 -0.013 0.000 0.914 176 S CB 0.290 63.360 63.200 -0.218 0.000 0.776 176 S HN 0.329 nan 8.310 nan 0.000 0.523 177 L N 0.016 121.220 121.223 -0.031 0.000 2.433 177 L HA 0.160 4.501 4.340 0.002 0.000 0.200 177 L C 0.588 177.496 176.870 0.063 0.000 1.059 177 L CA 0.374 55.086 54.840 -0.213 0.000 0.835 177 L CB -0.691 41.310 42.059 -0.096 0.000 1.076 177 L HN 0.039 nan 8.230 nan 0.000 0.481 178 T N 3.726 118.310 114.554 0.051 0.000 2.829 178 T HA 0.065 4.416 4.350 0.002 0.000 0.293 178 T C 0.151 174.926 174.700 0.124 0.000 0.970 178 T CA 0.123 62.238 62.100 0.025 0.000 1.168 178 T CB -0.262 68.503 68.868 -0.172 0.000 0.911 178 T HN 0.354 nan 8.240 nan 0.000 0.535 179 N N 2.195 121.000 118.700 0.175 0.000 2.707 179 N HA 0.135 4.877 4.740 0.002 0.000 0.249 179 N C 0.054 175.666 175.510 0.171 0.000 1.299 179 N CA -0.624 52.532 53.050 0.176 0.000 0.769 179 N CB 1.150 39.756 38.487 0.198 0.000 1.236 179 N HN 0.595 nan 8.380 nan 0.000 0.524 180 T N -0.630 114.028 114.554 0.175 0.000 2.312 180 T HA 0.337 4.689 4.350 0.002 0.000 0.175 180 T C 0.195 174.961 174.700 0.109 0.000 0.727 180 T CA 0.110 62.298 62.100 0.146 0.000 1.333 180 T CB 0.160 69.132 68.868 0.172 0.000 2.928 180 T HN 0.130 nan 8.240 nan 0.000 0.403 181 K N 2.929 123.390 120.400 0.102 0.000 2.350 181 K HA 0.305 4.627 4.320 0.002 0.000 0.279 181 K C -2.028 174.622 176.600 0.083 0.000 1.027 181 K CA -1.530 54.802 56.287 0.075 0.000 0.969 181 K CB 0.831 33.365 32.500 0.058 0.000 0.954 181 K HN 0.254 nan 8.250 nan 0.000 0.474 182 P HA -0.131 nan 4.420 nan 0.000 0.223 182 P C 0.565 177.883 177.300 0.031 0.000 1.151 182 P CA 0.935 64.060 63.100 0.042 0.000 0.787 182 P CB 0.121 31.832 31.700 0.019 0.000 0.788 183 T N -2.423 112.153 114.554 0.037 0.000 2.929 183 T HA -0.065 4.287 4.350 0.002 0.000 0.271 183 T C 1.730 176.492 174.700 0.103 0.000 1.085 183 T CA 0.788 62.911 62.100 0.038 0.000 1.125 183 T CB -0.992 67.898 68.868 0.037 0.000 0.874 183 T HN 0.115 nan 8.240 nan 0.000 0.494 184 I N 2.172 122.830 120.570 0.147 0.000 2.353 184 I HA -0.091 4.080 4.170 0.002 0.000 0.248 184 I C 2.693 179.001 176.117 0.318 0.000 1.119 184 I CA 1.577 63.016 61.300 0.233 0.000 1.417 184 I CB -0.384 37.766 38.000 0.249 0.000 1.078 184 I HN 0.460 nan 8.210 nan 0.000 0.421 185 T N -2.282 112.398 114.554 0.210 0.000 2.975 185 T HA 0.419 4.771 4.350 0.002 0.000 0.257 185 T C 0.798 175.499 174.700 0.002 0.000 1.003 185 T CA -0.107 62.131 62.100 0.230 0.000 0.932 185 T CB 0.007 68.964 68.868 0.148 0.000 1.087 185 T HN 0.129 nan 8.240 nan 0.000 0.512 186 A N 1.974 124.696 122.820 -0.164 0.000 2.511 186 A HA 0.553 4.874 4.320 0.002 0.000 0.242 186 A C 1.031 178.244 177.584 -0.619 0.000 1.069 186 A CA -0.075 51.794 52.037 -0.279 0.000 0.763 186 A CB -0.353 18.532 19.000 -0.192 0.000 1.001 186 A HN 0.552 nan 8.150 nan 0.000 0.498 187 R N -1.118 119.134 120.500 -0.414 0.000 3.922 187 R HA -0.177 4.164 4.340 0.002 0.000 0.447 187 R C -1.180 174.891 176.300 -0.382 0.000 1.035 187 R CA 1.413 57.265 56.100 -0.412 0.000 1.289 187 R CB -2.199 27.851 30.300 -0.416 0.000 1.906 187 R HN 0.559 nan 8.270 nan 0.000 0.540 188 F N 1.432 121.358 119.950 -0.040 0.000 2.421 188 F HA 0.428 4.956 4.527 0.002 0.000 0.337 188 F C -1.686 174.060 175.800 -0.091 0.000 1.105 188 F CA -3.302 54.663 58.000 -0.059 0.000 1.049 188 F CB 0.325 39.297 39.000 -0.046 0.000 1.139 188 F HN -0.280 nan 8.300 nan 0.000 0.479 189 P HA 0.208 nan 4.420 nan 0.000 0.268 189 P C -0.911 176.288 177.300 -0.168 0.000 1.204 189 P CA -0.248 62.801 63.100 -0.085 0.000 0.768 189 P CB 0.650 32.270 31.700 -0.133 0.000 0.842 190 K N 1.940 122.203 120.400 -0.228 0.000 2.340 190 K HA 0.534 4.856 4.320 0.002 0.000 0.244 190 K C -0.563 175.742 176.600 -0.491 0.000 0.973 190 K CA -0.715 55.397 56.287 -0.292 0.000 0.828 190 K CB 1.206 33.623 32.500 -0.139 0.000 1.226 190 K HN 0.217 nan 8.250 nan 0.000 0.437 191 F N 0.785 120.429 119.950 -0.510 0.000 2.389 191 F HA 0.070 4.599 4.527 0.002 0.000 0.337 191 F C 0.963 176.422 175.800 -0.569 0.000 1.112 191 F CA -0.325 57.252 58.000 -0.705 0.000 1.192 191 F CB 0.580 38.663 39.000 -1.527 0.000 1.185 191 F HN 0.382 nan 8.300 nan 0.000 0.552 192 D N 3.121 123.446 120.400 -0.126 0.000 2.470 192 D HA 0.034 4.675 4.640 0.002 0.000 0.226 192 D C -1.126 175.297 176.300 0.206 0.000 1.196 192 D CA -0.004 54.010 54.000 0.023 0.000 0.979 192 D CB -0.119 40.717 40.800 0.060 0.000 1.059 192 D HN 0.183 nan 8.370 nan 0.000 0.515 193 W N 3.817 125.232 121.300 0.192 0.000 2.570 193 W HA 0.370 5.031 4.660 0.002 0.000 0.337 193 W C -1.965 174.654 176.519 0.167 0.000 1.067 193 W CA -3.007 54.448 57.345 0.182 0.000 1.229 193 W CB 0.533 30.122 29.460 0.215 0.000 1.355 193 W HN 0.252 nan 8.180 nan 0.000 0.555 194 P HA 0.154 nan 4.420 nan 0.000 0.276 194 P C -0.405 176.825 177.300 -0.116 0.000 1.243 194 P CA -0.054 63.077 63.100 0.050 0.000 0.768 194 P CB 1.073 32.733 31.700 -0.068 0.000 0.856 195 R N 4.089 124.475 120.500 -0.191 0.000 2.514 195 R HA 0.674 5.015 4.340 0.002 0.000 0.301 195 R C -0.136 176.077 176.300 -0.144 0.000 0.962 195 R CA -0.913 54.950 56.100 -0.396 0.000 0.882 195 R CB 0.865 31.009 30.300 -0.260 0.000 1.143 195 R HN 0.581 nan 8.270 nan 0.000 0.452 196 I N -0.516 120.004 120.570 -0.084 0.000 3.002 196 I HA 0.516 4.687 4.170 0.002 0.000 0.310 196 I C -0.883 175.268 176.117 0.058 0.000 1.087 196 I CA -1.220 60.080 61.300 -0.000 0.000 1.017 196 I CB 2.139 40.144 38.000 0.008 0.000 1.226 196 I HN 0.422 nan 8.210 nan 0.000 0.443 197 D N 2.890 123.319 120.400 0.049 0.000 2.382 197 D HA 0.341 4.982 4.640 0.002 0.000 0.240 197 D C -0.097 176.258 176.300 0.093 0.000 1.146 197 D CA 0.257 54.298 54.000 0.069 0.000 0.897 197 D CB 1.450 42.265 40.800 0.025 0.000 1.197 197 D HN 0.749 nan 8.370 nan 0.000 0.432 198 A N 2.855 125.788 122.820 0.188 0.000 2.294 198 A HA 0.398 4.720 4.320 0.002 0.000 0.316 198 A C -2.055 175.673 177.584 0.240 0.000 1.359 198 A CA -1.254 50.991 52.037 0.347 0.000 0.956 198 A CB 0.508 19.881 19.000 0.621 0.000 1.155 198 A HN 0.271 nan 8.150 nan 0.000 0.544 199 P HA 0.159 nan 4.420 nan 0.000 0.212 199 P C -0.739 176.524 177.300 -0.063 0.000 1.816 199 P CA -0.112 62.860 63.100 -0.214 0.000 0.944 199 P CB -0.996 30.417 31.700 -0.479 0.000 1.896 200 Y N -0.834 119.449 120.300 -0.028 0.000 2.314 200 Y HA 0.404 4.956 4.550 0.003 0.000 0.334 200 Y C 0.814 176.633 175.900 -0.136 0.000 1.266 200 Y CA -1.570 56.343 58.100 -0.312 0.000 1.391 200 Y CB 0.016 38.124 38.460 -0.586 0.000 1.306 200 Y HN -0.110 nan 8.280 nan 0.000 0.558 201 M N 4.868 124.496 119.600 0.047 0.000 2.239 201 M HA 0.262 4.743 4.480 0.002 0.000 0.348 201 M C -0.074 176.288 176.300 0.104 0.000 1.239 201 M CA 0.439 55.761 55.300 0.038 0.000 1.114 201 M CB 0.219 32.856 32.600 0.061 0.000 1.641 201 M HN 0.788 nan 8.290 nan 0.000 0.453 202 R N 3.067 123.575 120.500 0.014 0.000 2.919 202 R HA 0.769 5.111 4.340 0.002 0.000 0.260 202 R C -2.902 173.418 176.300 0.034 0.000 1.067 202 R CA -1.933 54.202 56.100 0.058 0.000 1.003 202 R CB 0.112 30.428 30.300 0.026 0.000 1.192 202 R HN 0.359 nan 8.270 nan 0.000 0.488 203 P HA 0.076 nan 4.420 nan 0.000 0.271 203 P C 0.256 177.565 177.300 0.016 0.000 1.216 203 P CA 0.484 63.602 63.100 0.029 0.000 0.776 203 P CB 0.530 32.253 31.700 0.038 0.000 0.881 204 G N 1.022 109.828 108.800 0.010 0.000 2.256 204 G HA2 -0.170 3.792 3.960 0.002 0.000 0.272 204 G HA3 -0.170 3.792 3.960 0.002 0.000 0.272 204 G C -0.592 174.307 174.900 -0.003 0.000 1.076 204 G CA -0.297 44.805 45.100 0.005 0.000 0.882 204 G HN 0.497 nan 8.290 nan 0.000 0.497 205 L N 1.454 122.674 121.223 -0.005 0.000 2.504 205 L HA 0.454 4.796 4.340 0.002 0.000 0.265 205 L C -0.183 176.684 176.870 -0.006 0.000 0.975 205 L CA -0.858 53.975 54.840 -0.012 0.000 0.864 205 L CB 1.669 43.710 42.059 -0.029 0.000 1.212 205 L HN 0.352 nan 8.230 nan 0.000 0.416 206 D N 0.911 121.310 120.400 -0.003 0.000 2.387 206 D HA 0.144 4.785 4.640 0.002 0.000 0.251 206 D C 0.997 177.301 176.300 0.006 0.000 1.141 206 D CA -0.587 53.415 54.000 0.003 0.000 0.987 206 D CB 0.791 41.593 40.800 0.004 0.000 1.116 206 D HN 0.409 nan 8.370 nan 0.000 0.491 207 E N -0.102 120.106 120.200 0.012 0.000 2.240 207 E HA -0.246 4.105 4.350 0.002 0.000 0.236 207 E C -0.964 175.644 176.600 0.014 0.000 1.085 207 E CA 2.903 59.313 56.400 0.017 0.000 0.979 207 E CB -1.187 28.524 29.700 0.019 0.000 0.845 207 E HN 0.503 nan 8.360 nan 0.000 0.483 208 P HA -0.123 nan 4.420 nan 0.000 0.215 208 P C 0.985 178.285 177.300 -0.000 0.000 1.157 208 P CA 2.161 65.265 63.100 0.007 0.000 0.863 208 P CB -0.141 31.562 31.700 0.005 0.000 0.787 209 A N -0.990 121.827 122.820 -0.005 0.000 1.933 209 A HA -0.195 4.127 4.320 0.002 0.000 0.218 209 A C 2.162 179.730 177.584 -0.025 0.000 1.175 209 A CA 1.782 53.810 52.037 -0.016 0.000 0.628 209 A CB -1.411 17.578 19.000 -0.018 0.000 0.814 209 A HN 0.032 nan 8.150 nan 0.000 0.444 210 M N -0.281 119.308 119.600 -0.019 0.000 2.086 210 M HA -0.098 4.383 4.480 0.002 0.000 0.261 210 M C 2.518 178.811 176.300 -0.013 0.000 1.067 210 M CA 1.587 56.874 55.300 -0.022 0.000 1.116 210 M CB -1.603 30.997 32.600 -0.001 0.000 1.348 210 M HN 0.473 nan 8.290 nan 0.000 0.407 211 A N -0.159 122.665 122.820 0.007 0.000 1.940 211 A HA -0.045 4.277 4.320 0.002 0.000 0.219 211 A C 2.385 179.974 177.584 0.008 0.000 1.176 211 A CA 2.241 54.289 52.037 0.019 0.000 0.631 211 A CB -0.982 18.033 19.000 0.025 0.000 0.814 211 A HN 0.504 nan 8.150 nan 0.000 0.446 212 A N -0.905 121.912 122.820 -0.004 0.000 1.933 212 A HA -0.009 4.312 4.320 0.002 0.000 0.218 212 A C 2.097 179.667 177.584 -0.023 0.000 1.175 212 A CA 1.707 53.739 52.037 -0.009 0.000 0.628 212 A CB -0.487 18.506 19.000 -0.012 0.000 0.814 212 A HN 0.515 nan 8.150 nan 0.000 0.444 213 L N -0.084 121.113 121.223 -0.043 0.000 2.072 213 L HA -0.069 4.273 4.340 0.002 0.000 0.205 213 L C 2.236 179.051 176.870 -0.091 0.000 1.079 213 L CA 2.067 56.861 54.840 -0.076 0.000 0.752 213 L CB -0.602 41.390 42.059 -0.112 0.000 0.906 213 L HN 0.505 nan 8.230 nan 0.000 0.436 214 E N -0.668 119.487 120.200 -0.074 0.000 2.051 214 E HA -0.216 4.135 4.350 0.002 0.000 0.192 214 E C 2.194 178.813 176.600 0.031 0.000 0.991 214 E CA 1.145 57.513 56.400 -0.053 0.000 0.799 214 E CB -0.342 29.387 29.700 0.049 0.000 0.748 214 E HN 0.574 nan 8.360 nan 0.000 0.449 215 A N 1.406 124.244 122.820 0.031 0.000 1.986 215 A HA -0.274 4.047 4.320 0.002 0.000 0.220 215 A C 2.083 179.681 177.584 0.023 0.000 1.171 215 A CA 1.837 53.896 52.037 0.036 0.000 0.640 215 A CB -0.414 18.600 19.000 0.024 0.000 0.811 215 A HN 0.137 nan 8.150 nan 0.000 0.451 216 E N 0.271 120.472 120.200 0.001 0.000 2.072 216 E HA -0.015 4.337 4.350 0.002 0.000 0.191 216 E C 2.042 178.641 176.600 -0.002 0.000 0.985 216 E CA 1.528 57.924 56.400 -0.006 0.000 0.801 216 E CB -0.548 29.139 29.700 -0.022 0.000 0.750 216 E HN 0.453 nan 8.360 nan 0.000 0.452 217 A N 0.398 123.212 122.820 -0.010 0.000 1.898 217 A HA -0.114 4.207 4.320 0.002 0.000 0.216 217 A C 2.062 179.692 177.584 0.076 0.000 1.181 217 A CA 1.324 53.372 52.037 0.017 0.000 0.620 217 A CB -0.642 18.323 19.000 -0.058 0.000 0.819 217 A HN 0.319 nan 8.150 nan 0.000 0.442 218 L N -0.221 121.068 121.223 0.110 0.000 2.042 218 L HA -0.110 4.232 4.340 0.002 0.000 0.210 218 L C 2.507 179.401 176.870 0.039 0.000 1.076 218 L CA 1.701 56.589 54.840 0.080 0.000 0.749 218 L CB -1.176 40.933 42.059 0.083 0.000 0.893 218 L HN 0.420 nan 8.230 nan 0.000 0.432 219 R N -0.649 119.869 120.500 0.031 0.000 2.083 219 R HA -0.211 4.131 4.340 0.002 0.000 0.237 219 R C 2.240 178.543 176.300 0.005 0.000 1.137 219 R CA 1.821 57.933 56.100 0.019 0.000 0.951 219 R CB -0.114 30.194 30.300 0.014 0.000 0.851 219 R HN 0.503 nan 8.270 nan 0.000 0.434 220 Q N -0.696 119.102 119.800 -0.003 0.000 2.084 220 Q HA -0.129 4.213 4.340 0.002 0.000 0.202 220 Q C 2.122 178.090 176.000 -0.054 0.000 0.978 220 Q CA 1.575 57.364 55.803 -0.023 0.000 0.844 220 Q CB -0.123 28.604 28.738 -0.018 0.000 0.898 220 Q HN 0.386 nan 8.270 nan 0.000 0.426 221 A N 1.538 124.329 122.820 -0.048 0.000 1.851 221 A HA -0.281 4.040 4.320 0.002 0.000 0.216 221 A C 2.039 179.601 177.584 -0.038 0.000 1.195 221 A CA 1.898 53.882 52.037 -0.089 0.000 0.622 221 A CB -0.689 18.262 19.000 -0.081 0.000 0.831 221 A HN 0.316 nan 8.150 nan 0.000 0.444 222 R N -0.345 120.168 120.500 0.022 0.000 2.083 222 R HA -0.101 4.240 4.340 0.002 0.000 0.237 222 R C 2.279 178.545 176.300 -0.058 0.000 1.137 222 R CA 1.717 57.828 56.100 0.019 0.000 0.951 222 R CB -0.567 29.779 30.300 0.076 0.000 0.851 222 R HN 0.409 nan 8.270 nan 0.000 0.434 223 A N 0.865 123.660 122.820 -0.042 0.000 1.927 223 A HA -0.225 4.096 4.320 0.002 0.000 0.220 223 A C 2.429 179.953 177.584 -0.100 0.000 1.185 223 A CA 2.141 54.146 52.037 -0.052 0.000 0.639 223 A CB -1.036 17.942 19.000 -0.036 0.000 0.820 223 A HN 0.619 nan 8.150 nan 0.000 0.451 224 A N -1.592 121.134 122.820 -0.157 0.000 1.898 224 A HA 0.070 4.392 4.320 0.002 0.000 0.216 224 A C 1.951 179.347 177.584 -0.313 0.000 1.181 224 A CA 1.476 53.373 52.037 -0.233 0.000 0.620 224 A CB -0.692 18.122 19.000 -0.311 0.000 0.819 224 A HN 0.438 nan 8.150 nan 0.000 0.442 225 F N 0.240 119.952 119.950 -0.397 0.000 2.134 225 F HA -0.130 4.398 4.527 0.002 0.000 0.299 225 F C 2.439 177.912 175.800 -0.545 0.000 1.097 225 F CA 1.910 59.515 58.000 -0.659 0.000 1.264 225 F CB -0.463 37.687 39.000 -1.418 0.000 1.001 225 F HN 0.310 nan 8.300 nan 0.000 0.479 226 E N -0.977 119.091 120.200 -0.221 0.000 2.208 226 E HA -0.137 4.215 4.350 0.002 0.000 0.193 226 E C 1.969 178.544 176.600 -0.041 0.000 0.988 226 E CA 1.603 57.964 56.400 -0.064 0.000 0.828 226 E CB -0.119 29.586 29.700 0.008 0.000 0.763 226 E HN 0.431 nan 8.360 nan 0.000 0.478 227 T N -1.817 112.700 114.554 -0.061 0.000 3.065 227 T HA 0.146 4.497 4.350 0.002 0.000 0.252 227 T C 1.021 175.701 174.700 -0.033 0.000 1.099 227 T CA -0.099 61.979 62.100 -0.036 0.000 1.063 227 T CB 0.166 69.014 68.868 -0.033 0.000 0.948 227 T HN -0.109 nan 8.240 nan 0.000 0.506 228 R N 1.997 122.465 120.500 -0.054 0.000 2.724 228 R HA 0.358 4.699 4.340 0.002 0.000 0.284 228 R C -3.098 173.186 176.300 -0.026 0.000 1.481 228 R CA -1.789 54.292 56.100 -0.031 0.000 1.652 228 R CB 0.832 31.106 30.300 -0.043 0.000 1.175 228 R HN 0.253 nan 8.270 nan 0.000 0.613 229 P HA -0.015 nan 4.420 nan 0.000 0.271 229 P C -0.385 176.872 177.300 -0.072 0.000 1.220 229 P CA 0.185 63.199 63.100 -0.143 0.000 0.768 229 P CB 0.481 32.080 31.700 -0.168 0.000 0.848 230 H N 0.144 119.300 119.070 0.144 0.000 3.366 230 H HA -0.215 4.342 4.556 0.003 0.000 0.233 230 H C 0.607 175.991 175.328 0.093 0.000 1.102 230 H CA 1.352 57.474 56.048 0.123 0.000 1.184 230 H CB -1.754 28.060 29.762 0.085 0.000 1.216 230 H HN 0.481 nan 8.280 nan 0.000 0.317 231 D N 0.439 120.924 120.400 0.141 0.000 2.392 231 D HA 0.196 4.838 4.640 0.002 0.000 0.206 231 D C 0.883 177.202 176.300 0.031 0.000 1.046 231 D CA 0.078 54.126 54.000 0.080 0.000 0.865 231 D CB 0.424 41.255 40.800 0.050 0.000 0.969 231 D HN 0.385 nan 8.370 nan 0.000 0.509 232 I N 1.278 121.868 120.570 0.033 0.000 2.308 232 I HA 0.199 4.370 4.170 0.002 0.000 0.293 232 I C 1.341 177.499 176.117 0.068 0.000 1.078 232 I CA -0.457 60.816 61.300 -0.045 0.000 1.292 232 I CB 1.682 39.528 38.000 -0.256 0.000 1.423 232 I HN -0.100 nan 8.210 nan 0.000 0.493 233 A N 6.172 128.991 122.820 -0.002 0.000 1.968 233 A HA 0.016 4.338 4.320 0.002 0.000 0.217 233 A C 0.890 178.452 177.584 -0.036 0.000 1.169 233 A CA 0.992 53.050 52.037 0.036 0.000 0.638 233 A CB -0.241 18.781 19.000 0.036 0.000 0.812 233 A HN 0.865 nan 8.150 nan 0.000 0.446 234 C N -5.287 113.944 119.300 -0.115 0.000 3.275 234 C HA 0.708 5.169 4.460 0.002 0.000 0.340 234 C C -1.185 173.778 174.990 -0.046 0.000 1.366 234 C CA -1.421 57.522 59.018 -0.124 0.000 1.227 234 C CB 0.440 28.001 27.740 -0.299 0.000 1.512 234 C HN 0.586 nan 8.230 nan 0.000 0.461 235 F N 1.884 121.722 119.950 -0.187 0.000 2.467 235 F HA 0.786 5.315 4.527 0.003 0.000 0.336 235 F C -0.520 175.148 175.800 -0.219 0.000 1.123 235 F CA -0.963 56.939 58.000 -0.164 0.000 0.964 235 F CB 1.588 40.536 39.000 -0.086 0.000 1.136 235 F HN 0.724 nan 8.300 nan 0.000 0.447 236 V N 4.653 124.086 119.914 -0.802 0.000 2.581 236 V HA 0.969 5.091 4.120 0.002 0.000 0.303 236 V C -0.299 175.283 176.094 -0.854 0.000 1.041 236 V CA -0.566 61.287 62.300 -0.745 0.000 0.907 236 V CB 0.918 32.359 31.823 -0.636 0.000 0.994 236 V HN 1.105 nan 8.190 nan 0.000 0.442 237 A N 2.746 125.306 122.820 -0.433 0.000 2.604 237 A HA 0.736 5.058 4.320 0.002 0.000 0.295 237 A C -0.984 176.786 177.584 0.310 0.000 1.067 237 A CA -0.786 51.250 52.037 -0.002 0.000 0.683 237 A CB 1.333 20.357 19.000 0.040 0.000 1.281 237 A HN 0.822 nan 8.150 nan 0.000 0.407 238 E N 1.858 122.282 120.200 0.374 0.000 2.259 238 E HA 0.327 4.678 4.350 0.002 0.000 0.281 238 E C -1.835 174.942 176.600 0.296 0.000 1.027 238 E CA -1.669 54.907 56.400 0.293 0.000 0.838 238 E CB 1.179 31.017 29.700 0.231 0.000 1.066 238 E HN 0.356 nan 8.360 nan 0.000 0.401 239 P HA -0.103 nan 4.420 nan 0.000 0.218 239 P C -0.214 177.296 177.300 0.351 0.000 1.149 239 P CA 1.240 64.277 63.100 -0.104 0.000 0.817 239 P CB 0.311 31.744 31.700 -0.444 0.000 0.785 240 I N -1.032 119.656 120.570 0.196 0.000 2.478 240 I HA 0.201 4.372 4.170 0.002 0.000 0.287 240 I C -0.058 176.118 176.117 0.099 0.000 1.042 240 I CA -0.852 60.489 61.300 0.067 0.000 1.067 240 I CB 2.076 39.920 38.000 -0.259 0.000 1.233 240 I HN -0.299 nan 8.210 nan 0.000 0.431 241 Q N 3.602 123.486 119.800 0.140 0.000 2.286 241 Q HA 0.201 4.543 4.340 0.002 0.000 0.267 241 Q C 0.906 176.905 176.000 -0.002 0.000 1.028 241 Q CA 0.095 55.968 55.803 0.116 0.000 0.901 241 Q CB 1.656 30.484 28.738 0.150 0.000 1.183 241 Q HN 0.930 nan 8.270 nan 0.000 0.392 242 G N 1.679 110.490 108.800 0.018 0.000 2.670 242 G HA2 -0.071 3.891 3.960 0.002 0.000 0.219 242 G HA3 -0.071 3.891 3.960 0.002 0.000 0.219 242 G C 1.128 175.999 174.900 -0.049 0.000 1.342 242 G CA 0.594 45.683 45.100 -0.018 0.000 0.902 242 G HN 0.683 nan 8.290 nan 0.000 0.553 243 A N 0.577 123.352 122.820 -0.075 0.000 2.024 243 A HA 0.118 4.439 4.320 0.002 0.000 0.220 243 A C 2.535 180.082 177.584 -0.062 0.000 1.164 243 A CA 2.128 54.086 52.037 -0.131 0.000 0.643 243 A CB -0.949 17.857 19.000 -0.323 0.000 0.806 243 A HN 0.657 nan 8.150 nan 0.000 0.451 244 G N -1.469 107.323 108.800 -0.012 0.000 2.471 244 G HA2 0.299 4.261 3.960 0.002 0.000 0.219 244 G HA3 0.299 4.261 3.960 0.002 0.000 0.219 244 G C 0.944 175.798 174.900 -0.076 0.000 1.125 244 G CA 0.909 46.004 45.100 -0.008 0.000 0.775 244 G HN 1.674 nan 8.290 nan 0.000 0.548 245 G N -0.161 108.580 108.800 -0.099 0.000 2.334 245 G HA2 0.098 4.060 3.960 0.002 0.000 0.222 245 G HA3 0.098 4.060 3.960 0.002 0.000 0.222 245 G C -0.317 174.512 174.900 -0.118 0.000 1.077 245 G CA -0.028 45.000 45.100 -0.119 0.000 0.861 245 G HN 0.178 nan 8.290 nan 0.000 0.508 246 D N -0.456 119.891 120.400 -0.087 0.000 2.802 246 D HA -0.160 4.482 4.640 0.002 0.000 0.229 246 D C 0.723 176.983 176.300 -0.067 0.000 1.203 246 D CA 1.244 55.211 54.000 -0.054 0.000 0.712 246 D CB -0.385 40.446 40.800 0.051 0.000 0.973 246 D HN 0.759 nan 8.370 nan 0.000 0.407 247 R N 1.343 121.707 120.500 -0.226 0.000 2.207 247 R HA 0.378 4.720 4.340 0.002 0.000 0.334 247 R C 0.205 176.239 176.300 -0.444 0.000 1.013 247 R CA -0.472 55.386 56.100 -0.403 0.000 0.858 247 R CB 1.198 31.046 30.300 -0.753 0.000 1.094 247 R HN 0.306 nan 8.270 nan 0.000 0.457 248 H N 2.653 121.518 119.070 -0.342 0.000 2.479 248 H HA 0.328 4.885 4.556 0.002 0.000 0.335 248 H C -0.598 174.534 175.328 -0.328 0.000 1.142 248 H CA -0.226 55.703 56.048 -0.199 0.000 1.234 248 H CB 1.401 31.154 29.762 -0.015 0.000 1.503 248 H HN 0.315 nan 8.280 nan 0.000 0.510 249 F N 0.441 120.598 119.950 0.345 0.000 2.551 249 F HA 0.356 4.884 4.527 0.002 0.000 0.316 249 F C 0.695 176.645 175.800 0.249 0.000 1.089 249 F CA -0.999 57.145 58.000 0.240 0.000 0.915 249 F CB 1.326 40.419 39.000 0.154 0.000 1.186 249 F HN 0.223 nan 8.300 nan 0.000 0.456 250 R N 3.230 123.946 120.500 0.361 0.000 2.537 250 R HA 0.107 4.448 4.340 0.002 0.000 0.280 250 R C -1.627 174.871 176.300 0.330 0.000 1.058 250 R CA -1.190 55.080 56.100 0.283 0.000 1.057 250 R CB 0.334 30.752 30.300 0.197 0.000 0.973 250 R HN 0.323 nan 8.270 nan 0.000 0.438 251 P HA -0.215 nan 4.420 nan 0.000 0.217 251 P C 0.441 177.901 177.300 0.265 0.000 1.151 251 P CA 1.402 64.699 63.100 0.329 0.000 0.849 251 P CB 0.310 32.152 31.700 0.237 0.000 0.787 252 E N -1.072 119.250 120.200 0.204 0.000 2.097 252 E HA -0.200 4.151 4.350 0.002 0.000 0.196 252 E C 1.769 178.465 176.600 0.161 0.000 1.000 252 E CA 1.056 57.552 56.400 0.159 0.000 0.804 252 E CB -1.185 28.597 29.700 0.137 0.000 0.740 252 E HN 0.256 nan 8.360 nan 0.000 0.454 253 F N -0.021 119.937 119.950 0.014 0.000 2.102 253 F HA -0.165 4.363 4.527 0.002 0.000 0.298 253 F C 1.693 177.432 175.800 -0.102 0.000 1.105 253 F CA 1.237 59.172 58.000 -0.107 0.000 1.239 253 F CB -0.347 38.514 39.000 -0.232 0.000 0.991 253 F HN -0.035 nan 8.300 nan 0.000 0.474 254 F N 0.573 120.447 119.950 -0.126 0.000 2.234 254 F HA 0.009 4.538 4.527 0.003 0.000 0.299 254 F C 2.586 178.314 175.800 -0.120 0.000 1.087 254 F CA 0.975 58.870 58.000 -0.175 0.000 1.340 254 F CB -1.533 37.579 39.000 0.187 0.000 1.031 254 F HN 0.086 nan 8.300 nan 0.000 0.500 255 A N 0.039 122.939 122.820 0.133 0.000 1.902 255 A HA -0.049 4.273 4.320 0.002 0.000 0.217 255 A C 2.459 180.038 177.584 -0.009 0.000 1.181 255 A CA 1.733 53.816 52.037 0.075 0.000 0.623 255 A CB -1.255 17.800 19.000 0.092 0.000 0.818 255 A HN 0.282 nan 8.150 nan 0.000 0.443 256 A N -1.091 121.700 122.820 -0.049 0.000 1.902 256 A HA -0.111 4.210 4.320 0.002 0.000 0.217 256 A C 2.162 179.654 177.584 -0.153 0.000 1.181 256 A CA 1.971 53.961 52.037 -0.078 0.000 0.623 256 A CB -0.467 18.505 19.000 -0.046 0.000 0.818 256 A HN 0.405 nan 8.150 nan 0.000 0.443 257 M N -0.725 118.702 119.600 -0.288 0.000 2.117 257 M HA -0.120 4.362 4.480 0.002 0.000 0.262 257 M C 2.165 178.356 176.300 -0.181 0.000 1.065 257 M CA 1.844 56.937 55.300 -0.346 0.000 1.114 257 M CB -1.166 31.109 32.600 -0.541 0.000 1.361 257 M HN 0.524 nan 8.290 nan 0.000 0.408 258 R N 0.866 121.305 120.500 -0.101 0.000 2.083 258 R HA -0.171 4.171 4.340 0.002 0.000 0.237 258 R C 1.900 178.143 176.300 -0.095 0.000 1.137 258 R CA 2.247 58.296 56.100 -0.085 0.000 0.951 258 R CB -0.934 29.340 30.300 -0.042 0.000 0.851 258 R HN 0.433 nan 8.270 nan 0.000 0.434 259 E N -0.616 119.536 120.200 -0.080 0.000 2.077 259 E HA -0.144 4.207 4.350 0.002 0.000 0.193 259 E C 1.891 178.428 176.600 -0.104 0.000 0.989 259 E CA 1.360 57.712 56.400 -0.079 0.000 0.800 259 E CB -0.246 29.420 29.700 -0.057 0.000 0.746 259 E HN 0.279 nan 8.360 nan 0.000 0.452 260 L N -0.106 121.055 121.223 -0.103 0.000 2.093 260 L HA -0.151 4.191 4.340 0.002 0.000 0.208 260 L C 2.087 178.845 176.870 -0.186 0.000 1.085 260 L CA 1.309 56.090 54.840 -0.098 0.000 0.755 260 L CB -0.298 41.725 42.059 -0.060 0.000 0.904 260 L HN 0.293 nan 8.230 nan 0.000 0.435 261 C N -0.299 118.898 119.300 -0.172 0.000 2.429 261 C HA -0.151 4.310 4.460 0.002 0.000 0.277 261 C C 2.362 177.239 174.990 -0.189 0.000 1.262 261 C CA 0.872 59.784 59.018 -0.176 0.000 1.733 261 C CB -0.993 26.700 27.740 -0.079 0.000 2.010 261 C HN 0.582 nan 8.230 nan 0.000 0.483 262 D N 0.203 120.506 120.400 -0.161 0.000 2.117 262 D HA -0.131 4.510 4.640 0.002 0.000 0.198 262 D C 2.104 178.298 176.300 -0.176 0.000 0.982 262 D CA 1.047 54.961 54.000 -0.143 0.000 0.828 262 D CB -0.588 40.144 40.800 -0.113 0.000 0.967 262 D HN 0.628 nan 8.370 nan 0.000 0.464 263 E N -0.650 119.409 120.200 -0.236 0.000 2.118 263 E HA -0.169 4.182 4.350 0.002 0.000 0.195 263 E C 0.872 177.121 176.600 -0.585 0.000 0.992 263 E CA 0.824 56.990 56.400 -0.390 0.000 0.804 263 E CB -0.029 29.402 29.700 -0.448 0.000 0.741 263 E HN 0.226 nan 8.360 nan 0.000 0.458 264 F N 0.711 120.425 119.950 -0.393 0.000 2.641 264 F HA 0.152 4.680 4.527 0.001 0.000 0.302 264 F C -0.111 175.562 175.800 -0.211 0.000 1.098 264 F CA -0.120 57.639 58.000 -0.402 0.000 1.318 264 F CB 0.681 39.140 39.000 -0.903 0.000 1.035 264 F HN -0.147 nan 8.300 nan 0.000 0.551 265 D N 0.958 121.330 120.400 -0.047 0.000 2.699 265 D HA -0.177 4.464 4.640 0.002 0.000 0.239 265 D C 0.110 176.485 176.300 0.125 0.000 1.136 265 D CA 0.875 54.881 54.000 0.010 0.000 0.668 265 D CB -0.915 39.857 40.800 -0.046 0.000 1.060 265 D HN 0.297 nan 8.370 nan 0.000 0.429 266 A N 0.086 122.930 122.820 0.039 0.000 2.355 266 A HA 0.745 5.066 4.320 0.002 0.000 0.324 266 A C 0.342 177.831 177.584 -0.158 0.000 1.117 266 A CA -0.690 51.385 52.037 0.064 0.000 0.785 266 A CB 1.167 20.321 19.000 0.257 0.000 1.254 266 A HN 0.186 nan 8.150 nan 0.000 0.453 267 L N 1.374 122.420 121.223 -0.295 0.000 2.395 267 L HA 0.387 4.728 4.340 0.002 0.000 0.269 267 L C -0.123 176.580 176.870 -0.279 0.000 1.133 267 L CA -0.347 54.235 54.840 -0.431 0.000 0.812 267 L CB 0.887 42.596 42.059 -0.583 0.000 1.125 267 L HN 0.670 nan 8.230 nan 0.000 0.452 268 L N 4.314 125.346 121.223 -0.318 0.000 2.265 268 L HA 0.492 4.833 4.340 0.002 0.000 0.289 268 L C -0.451 176.127 176.870 -0.487 0.000 1.033 268 L CA -0.599 54.042 54.840 -0.332 0.000 0.814 268 L CB 1.346 43.197 42.059 -0.347 0.000 1.203 268 L HN 0.541 nan 8.230 nan 0.000 0.423 269 I N 3.178 123.451 120.570 -0.496 0.000 2.412 269 I HA 0.507 4.678 4.170 0.002 0.000 0.296 269 I C -1.478 174.334 176.117 -0.509 0.000 0.987 269 I CA 0.095 61.112 61.300 -0.473 0.000 1.180 269 I CB 1.283 39.059 38.000 -0.373 0.000 1.340 269 I HN 0.342 nan 8.210 nan 0.000 0.455 270 F N 5.031 124.803 119.950 -0.296 0.000 2.436 270 F HA 0.363 4.891 4.527 0.002 0.000 0.340 270 F C 0.055 175.780 175.800 -0.125 0.000 1.113 270 F CA -0.616 57.243 58.000 -0.236 0.000 1.022 270 F CB 1.176 40.033 39.000 -0.239 0.000 1.128 270 F HN 0.504 nan 8.300 nan 0.000 0.466 271 D N 3.491 124.022 120.400 0.218 0.000 2.441 271 D HA 0.085 4.727 4.640 0.002 0.000 0.221 271 D C 0.188 176.621 176.300 0.223 0.000 1.156 271 D CA 0.127 54.254 54.000 0.211 0.000 0.896 271 D CB 0.425 41.433 40.800 0.347 0.000 1.028 271 D HN 0.526 nan 8.370 nan 0.000 0.509 272 E N 2.816 123.154 120.200 0.230 0.000 2.437 272 E HA 0.040 4.392 4.350 0.002 0.000 0.195 272 E C 1.567 178.385 176.600 0.364 0.000 1.029 272 E CA -0.074 56.507 56.400 0.302 0.000 0.948 272 E CB 0.900 30.855 29.700 0.425 0.000 1.082 272 E HN 0.360 nan 8.360 nan 0.000 0.456 273 V N 0.789 120.882 119.914 0.299 0.000 2.332 273 V HA -0.297 3.824 4.120 0.002 0.000 0.248 273 V C 2.441 178.683 176.094 0.247 0.000 1.055 273 V CA 2.056 64.533 62.300 0.296 0.000 1.038 273 V CB -0.269 31.701 31.823 0.245 0.000 0.651 273 V HN 0.302 nan 8.190 nan 0.000 0.450 274 Q N -0.239 119.678 119.800 0.196 0.000 2.204 274 Q HA -0.111 4.231 4.340 0.002 0.000 0.198 274 Q C 2.201 178.272 176.000 0.118 0.000 0.946 274 Q CA 1.471 57.355 55.803 0.135 0.000 0.859 274 Q CB 0.088 28.883 28.738 0.095 0.000 0.946 274 Q HN 0.793 nan 8.270 nan 0.000 0.474 275 T N -2.440 112.196 114.554 0.137 0.000 3.088 275 T HA 0.184 4.535 4.350 0.002 0.000 0.259 275 T C 0.960 175.722 174.700 0.103 0.000 1.122 275 T CA 0.199 62.358 62.100 0.097 0.000 1.095 275 T CB 0.038 68.953 68.868 0.079 0.000 0.930 275 T HN 0.249 nan 8.240 nan 0.000 0.508 276 G N -0.188 108.728 108.800 0.194 0.000 2.588 276 G HA2 0.330 4.291 3.960 0.002 0.000 0.278 276 G HA3 0.330 4.291 3.960 0.002 0.000 0.278 276 G C 0.470 175.269 174.900 -0.169 0.000 1.307 276 G CA -0.175 45.028 45.100 0.171 0.000 1.016 276 G HN 0.737 nan 8.290 nan 0.000 0.503 277 C N -0.603 118.335 119.300 -0.602 0.000 4.028 277 C HA -0.056 4.406 4.460 0.002 0.000 0.300 277 C C 1.905 176.765 174.990 -0.215 0.000 1.399 277 C CA 1.322 60.064 59.018 -0.460 0.000 2.051 277 C CB -1.837 25.788 27.740 -0.191 0.000 1.318 277 C HN 2.797 nan 8.230 nan 0.000 0.696 278 G N -0.430 108.129 108.800 -0.402 0.000 2.258 278 G HA2 -0.310 3.651 3.960 0.002 0.000 0.233 278 G HA3 -0.310 3.651 3.960 0.002 0.000 0.233 278 G C 0.609 175.433 174.900 -0.126 0.000 1.006 278 G CA 0.448 45.396 45.100 -0.253 0.000 0.620 278 G HN 1.518 nan 8.290 nan 0.000 0.511 279 L N 1.960 123.130 121.223 -0.089 0.000 2.043 279 L HA 0.021 4.363 4.340 0.002 0.000 0.212 279 L C 2.988 179.842 176.870 -0.026 0.000 1.075 279 L CA 3.641 58.464 54.840 -0.028 0.000 0.752 279 L CB -0.585 41.471 42.059 -0.005 0.000 0.891 279 L HN 0.700 nan 8.230 nan 0.000 0.432 280 T N -4.110 110.404 114.554 -0.067 0.000 3.113 280 T HA 0.337 4.688 4.350 0.002 0.000 0.256 280 T C 1.431 176.095 174.700 -0.060 0.000 1.131 280 T CA 0.454 62.531 62.100 -0.038 0.000 1.074 280 T CB 0.026 68.871 68.868 -0.037 0.000 0.944 280 T HN 0.638 nan 8.240 nan 0.000 0.516 281 G N 0.939 109.673 108.800 -0.110 0.000 2.218 281 G HA2 -0.150 3.811 3.960 0.002 0.000 0.216 281 G HA3 -0.150 3.811 3.960 0.002 0.000 0.216 281 G C 0.261 175.029 174.900 -0.220 0.000 0.994 281 G CA 0.073 45.119 45.100 -0.089 0.000 0.637 281 G HN 1.113 nan 8.290 nan 0.000 0.505 282 T N -2.362 111.954 114.554 -0.397 0.000 2.926 282 T HA 0.822 5.174 4.350 0.002 0.000 0.289 282 T C 1.520 175.565 174.700 -1.092 0.000 1.054 282 T CA 0.421 62.133 62.100 -0.647 0.000 1.015 282 T CB 1.630 70.266 68.868 -0.387 0.000 1.167 282 T HN 1.356 nan 8.240 nan 0.000 0.526 283 A N -0.097 121.898 122.820 -1.375 0.000 1.892 283 A HA 0.104 4.425 4.320 0.002 0.000 0.218 283 A C 0.206 176.974 177.584 -1.360 0.000 1.188 283 A CA 0.833 51.985 52.037 -1.476 0.000 0.631 283 A CB -0.899 17.486 19.000 -1.026 0.000 0.822 283 A HN 0.800 nan 8.150 nan 0.000 0.447 284 W N -4.277 116.728 121.300 -0.491 0.000 2.864 284 W HA 0.641 5.302 4.660 0.002 0.000 0.343 284 W C 0.956 177.220 176.519 -0.425 0.000 1.109 284 W CA -0.369 56.734 57.345 -0.403 0.000 1.192 284 W CB 1.617 30.815 29.460 -0.438 0.000 1.426 284 W HN 0.066 nan 8.180 nan 0.000 0.529 285 A N 0.937 123.739 122.820 -0.029 0.000 1.930 285 A HA -0.212 4.110 4.320 0.002 0.000 0.217 285 A C 1.725 179.225 177.584 -0.140 0.000 1.175 285 A CA 1.980 53.962 52.037 -0.092 0.000 0.627 285 A CB -1.273 17.689 19.000 -0.062 0.000 0.815 285 A HN 0.864 nan 8.150 nan 0.000 0.443 286 Y N 0.281 120.478 120.300 -0.173 0.000 2.315 286 Y HA -0.181 4.371 4.550 0.002 0.000 0.288 286 Y C 1.874 177.757 175.900 -0.029 0.000 1.154 286 Y CA 1.476 59.442 58.100 -0.224 0.000 1.229 286 Y CB -0.939 37.364 38.460 -0.263 0.000 0.980 286 Y HN 0.423 nan 8.280 nan 0.000 0.540 287 Q N 0.281 119.798 119.800 -0.472 0.000 2.437 287 Q HA -0.130 4.211 4.340 0.002 0.000 0.210 287 Q C 1.758 177.705 176.000 -0.089 0.000 0.972 287 Q CA 1.312 56.953 55.803 -0.271 0.000 0.903 287 Q CB -0.134 28.396 28.738 -0.347 0.000 0.967 287 Q HN 0.725 nan 8.270 nan 0.000 0.486 288 Q N -0.343 119.419 119.800 -0.063 0.000 2.378 288 Q HA 0.109 4.450 4.340 0.002 0.000 0.216 288 Q C 1.451 177.492 176.000 0.067 0.000 0.892 288 Q CA 0.187 55.990 55.803 -0.000 0.000 0.931 288 Q CB 0.578 29.312 28.738 -0.006 0.000 1.086 288 Q HN 0.348 nan 8.270 nan 0.000 0.528 289 L N 0.128 121.410 121.223 0.097 0.000 2.567 289 L HA 0.109 4.450 4.340 0.002 0.000 0.225 289 L C -0.108 176.872 176.870 0.182 0.000 1.119 289 L CA -0.088 54.857 54.840 0.175 0.000 0.871 289 L CB 0.089 42.284 42.059 0.228 0.000 1.036 289 L HN 0.119 nan 8.230 nan 0.000 0.459 290 D N 0.744 121.235 120.400 0.151 0.000 2.689 290 D HA -0.150 4.491 4.640 0.002 0.000 0.237 290 D C -0.893 175.510 176.300 0.172 0.000 1.148 290 D CA 0.397 54.485 54.000 0.145 0.000 0.656 290 D CB -0.544 40.323 40.800 0.111 0.000 1.050 290 D HN -0.003 nan 8.370 nan 0.000 0.426 291 V N -0.108 119.945 119.914 0.231 0.000 2.709 291 V HA 0.829 4.951 4.120 0.002 0.000 0.308 291 V C 0.366 176.581 176.094 0.202 0.000 1.062 291 V CA -0.595 61.836 62.300 0.218 0.000 0.901 291 V CB 2.100 34.108 31.823 0.308 0.000 1.003 291 V HN 0.332 nan 8.190 nan 0.000 0.425 292 A N 6.610 129.470 122.820 0.068 0.000 2.249 292 A HA 0.841 5.163 4.320 0.002 0.000 0.314 292 A C -2.397 175.079 177.584 -0.181 0.000 1.290 292 A CA -1.528 50.486 52.037 -0.039 0.000 0.893 292 A CB 0.481 19.463 19.000 -0.031 0.000 1.165 292 A HN 0.590 nan 8.150 nan 0.000 0.530 293 P HA 0.257 nan 4.420 nan 0.000 0.279 293 P C -0.433 176.643 177.300 -0.374 0.000 1.252 293 P CA -0.245 62.590 63.100 -0.442 0.000 0.811 293 P CB 1.369 32.760 31.700 -0.515 0.000 1.035 294 D N 0.239 120.413 120.400 -0.377 0.000 2.262 294 D HA 0.071 4.712 4.640 0.002 0.000 0.212 294 D C 0.786 176.894 176.300 -0.319 0.000 0.964 294 D CA 1.188 54.981 54.000 -0.345 0.000 0.875 294 D CB 0.445 40.994 40.800 -0.420 0.000 0.996 294 D HN 0.341 nan 8.370 nan 0.000 0.497 295 I N -0.361 120.009 120.570 -0.333 0.000 2.647 295 I HA 0.357 4.529 4.170 0.002 0.000 0.295 295 I C -1.590 174.366 176.117 -0.269 0.000 1.078 295 I CA -0.784 60.352 61.300 -0.273 0.000 1.048 295 I CB 2.653 40.524 38.000 -0.214 0.000 1.239 295 I HN -0.376 nan 8.210 nan 0.000 0.421 296 V N 6.351 126.133 119.914 -0.220 0.000 2.540 296 V HA 0.854 4.975 4.120 0.002 0.000 0.302 296 V C 0.160 176.191 176.094 -0.105 0.000 1.035 296 V CA -0.389 61.802 62.300 -0.182 0.000 0.873 296 V CB 1.412 33.044 31.823 -0.318 0.000 0.992 296 V HN 1.010 nan 8.190 nan 0.000 0.428 297 A N 5.545 128.327 122.820 -0.065 0.000 2.292 297 A HA 0.941 5.263 4.320 0.002 0.000 0.319 297 A C -0.751 176.875 177.584 0.070 0.000 1.206 297 A CA -0.303 51.682 52.037 -0.086 0.000 0.835 297 A CB 0.409 19.378 19.000 -0.051 0.000 1.164 297 A HN 0.925 nan 8.150 nan 0.000 0.505 298 F N 0.548 120.606 119.950 0.180 0.000 2.640 298 F HA 0.984 5.512 4.527 0.002 0.000 0.324 298 F C 0.384 176.378 175.800 0.324 0.000 1.077 298 F CA -0.514 57.691 58.000 0.341 0.000 0.965 298 F CB 1.182 40.532 39.000 0.583 0.000 1.351 298 F HN 1.043 nan 8.300 nan 0.000 0.487 299 G N -0.209 108.964 108.800 0.622 0.000 2.392 299 G HA2 0.355 4.316 3.960 0.002 0.000 0.260 299 G HA3 0.355 4.316 3.960 0.002 0.000 0.260 299 G C -0.568 174.543 174.900 0.353 0.000 1.226 299 G CA -0.214 45.145 45.100 0.431 0.000 0.913 299 G HN 0.836 nan 8.290 nan 0.000 0.483 300 K N -0.738 119.806 120.400 0.241 0.000 3.478 300 K HA -0.341 3.981 4.320 0.002 0.000 0.200 300 K C 2.029 178.733 176.600 0.173 0.000 0.746 300 K CA 2.228 58.621 56.287 0.178 0.000 0.572 300 K CB -1.209 31.382 32.500 0.152 0.000 0.767 300 K HN 0.456 nan 8.250 nan 0.000 0.790 301 K N 0.684 121.179 120.400 0.159 0.000 2.218 301 K HA -0.146 4.175 4.320 0.002 0.000 0.205 301 K C 1.983 178.679 176.600 0.161 0.000 1.046 301 K CA 2.008 58.372 56.287 0.128 0.000 0.933 301 K CB -0.301 32.249 32.500 0.083 0.000 0.728 301 K HN 0.653 nan 8.250 nan 0.000 0.454 302 T N -1.769 112.938 114.554 0.256 0.000 3.148 302 T HA 0.003 4.355 4.350 0.002 0.000 0.253 302 T C 0.785 175.650 174.700 0.276 0.000 1.134 302 T CA 0.086 62.385 62.100 0.331 0.000 1.051 302 T CB 0.199 69.403 68.868 0.561 0.000 0.959 302 T HN 0.116 nan 8.240 nan 0.000 0.525 303 Q N -0.369 119.547 119.800 0.194 0.000 2.446 303 Q HA -0.208 4.133 4.340 0.002 0.000 0.184 303 Q C 0.809 176.862 176.000 0.088 0.000 2.887 303 Q CA 2.065 57.928 55.803 0.099 0.000 0.208 303 Q CB -2.518 26.240 28.738 0.033 0.000 0.206 303 Q HN 0.703 nan 8.270 nan 0.000 0.395 304 V N 1.147 121.102 119.914 0.069 0.000 2.811 304 V HA 0.393 4.514 4.120 0.002 0.000 0.302 304 V C 1.130 177.449 176.094 0.375 0.000 1.063 304 V CA -0.356 62.016 62.300 0.119 0.000 1.088 304 V CB 1.085 32.891 31.823 -0.030 0.000 0.982 304 V HN 0.503 nan 8.190 nan 0.000 0.485 305 C N 2.407 121.891 119.300 0.306 0.000 2.547 305 C HA 1.079 5.541 4.460 0.002 0.000 0.411 305 C C 0.993 176.021 174.990 0.064 0.000 1.424 305 C CA 0.446 59.616 59.018 0.254 0.000 1.848 305 C CB 0.910 28.727 27.740 0.129 0.000 2.062 305 C HN 1.555 nan 8.230 nan 0.000 0.504 306 G N -0.928 107.557 108.800 -0.526 0.000 2.356 306 G HA2 0.482 4.443 3.960 0.002 0.000 0.266 306 G HA3 0.482 4.443 3.960 0.002 0.000 0.266 306 G C -1.340 172.929 174.900 -1.051 0.000 1.312 306 G CA 0.317 45.052 45.100 -0.608 0.000 0.922 306 G HN 1.850 nan 8.290 nan 0.000 0.480 307 V N -2.823 116.781 119.914 -0.517 0.000 3.007 307 V HA 0.912 5.033 4.120 0.002 0.000 0.311 307 V C -0.219 175.899 176.094 0.040 0.000 1.120 307 V CA -1.093 61.073 62.300 -0.222 0.000 0.980 307 V CB 1.886 33.681 31.823 -0.046 0.000 1.033 307 V HN 0.988 nan 8.190 nan 0.000 0.429 308 M N 3.203 122.854 119.600 0.085 0.000 2.364 308 M HA 0.904 5.385 4.480 0.002 0.000 0.334 308 M C -0.277 175.926 176.300 -0.161 0.000 1.107 308 M CA -0.554 54.747 55.300 0.001 0.000 0.988 308 M CB 2.052 34.687 32.600 0.058 0.000 1.673 308 M HN 1.087 nan 8.290 nan 0.000 0.441 309 A N 1.818 124.473 122.820 -0.275 0.000 2.475 309 A HA 1.033 5.354 4.320 0.002 0.000 0.301 309 A C -0.328 177.147 177.584 -0.182 0.000 1.059 309 A CA -0.067 51.782 52.037 -0.313 0.000 0.710 309 A CB 1.903 20.566 19.000 -0.562 0.000 1.288 309 A HN 0.993 nan 8.150 nan 0.000 0.408 310 G N -0.023 108.697 108.800 -0.135 0.000 2.586 310 G HA2 0.484 4.446 3.960 0.002 0.000 0.105 310 G HA3 0.484 4.446 3.960 0.002 0.000 0.105 310 G C 0.388 175.223 174.900 -0.107 0.000 1.129 310 G CA 0.803 45.867 45.100 -0.059 0.000 1.127 310 G HN 1.272 nan 8.290 nan 0.000 0.532 311 R N -0.799 119.641 120.500 -0.100 0.000 3.731 311 R HA -0.281 4.060 4.340 0.002 0.000 0.488 311 R C 2.113 178.360 176.300 -0.088 0.000 0.241 311 R CA 2.498 58.535 56.100 -0.104 0.000 1.531 311 R CB -1.105 29.101 30.300 -0.157 0.000 0.923 311 R HN 0.521 nan 8.270 nan 0.000 0.596 312 R N 0.158 120.557 120.500 -0.168 0.000 2.280 312 R HA -0.013 4.329 4.340 0.002 0.000 0.207 312 R C 2.077 178.330 176.300 -0.079 0.000 1.043 312 R CA 1.089 57.115 56.100 -0.124 0.000 1.006 312 R CB 0.013 30.160 30.300 -0.254 0.000 0.885 312 R HN 0.292 nan 8.270 nan 0.000 0.467 313 V N 1.587 121.377 119.914 -0.207 0.000 2.469 313 V HA -0.240 3.882 4.120 0.002 0.000 0.251 313 V C 1.489 177.730 176.094 0.245 0.000 1.064 313 V CA 1.829 64.084 62.300 -0.075 0.000 1.066 313 V CB -0.307 31.482 31.823 -0.058 0.000 0.667 313 V HN 0.295 nan 8.190 nan 0.000 0.461 314 D N -0.505 120.010 120.400 0.192 0.000 2.348 314 D HA -0.105 4.537 4.640 0.002 0.000 0.216 314 D C 1.992 178.423 176.300 0.219 0.000 0.970 314 D CA 0.529 54.658 54.000 0.213 0.000 0.889 314 D CB 0.021 40.932 40.800 0.186 0.000 0.912 314 D HN 0.575 nan 8.370 nan 0.000 0.524 315 E N 0.160 120.535 120.200 0.291 0.000 2.265 315 E HA -0.052 4.299 4.350 0.002 0.000 0.196 315 E C 0.273 177.008 176.600 0.225 0.000 0.996 315 E CA 0.344 56.910 56.400 0.276 0.000 0.832 315 E CB 0.534 30.451 29.700 0.362 0.000 0.756 315 E HN -0.011 nan 8.360 nan 0.000 0.491 316 V N 1.278 121.343 119.914 0.251 0.000 2.294 316 V HA 0.171 4.292 4.120 0.002 0.000 0.272 316 V C 0.838 176.985 176.094 0.088 0.000 1.027 316 V CA -0.019 62.323 62.300 0.070 0.000 0.823 316 V CB 0.992 32.749 31.823 -0.110 0.000 1.030 316 V HN 0.166 nan 8.190 nan 0.000 0.457 317 A N 4.059 126.910 122.820 0.051 0.000 1.978 317 A HA -0.124 4.198 4.320 0.002 0.000 0.220 317 A C 1.292 178.900 177.584 0.040 0.000 1.170 317 A CA 1.765 53.834 52.037 0.053 0.000 0.636 317 A CB -0.168 18.851 19.000 0.033 0.000 0.810 317 A HN 0.876 nan 8.150 nan 0.000 0.448 318 D N -0.178 120.231 120.400 0.017 0.000 2.894 318 D HA 0.139 4.780 4.640 0.002 0.000 0.273 318 D C -0.121 176.173 176.300 -0.009 0.000 1.328 318 D CA -0.498 53.502 54.000 0.001 0.000 0.845 318 D CB -1.274 39.519 40.800 -0.012 0.000 1.072 318 D HN 0.584 nan 8.370 nan 0.000 0.484 319 N N -1.331 117.379 118.700 0.017 0.000 2.285 319 N HA -0.004 4.737 4.740 0.002 0.000 0.262 319 N C 0.878 176.325 175.510 -0.104 0.000 1.299 319 N CA -0.792 52.262 53.050 0.007 0.000 0.930 319 N CB 0.602 39.167 38.487 0.130 0.000 1.157 319 N HN -0.149 nan 8.380 nan 0.000 0.532 320 V N -0.836 118.914 119.914 -0.273 0.000 2.970 320 V HA -0.019 4.103 4.120 0.002 0.000 0.260 320 V C 0.468 176.178 176.094 -0.639 0.000 1.100 320 V CA 1.205 63.202 62.300 -0.505 0.000 1.122 320 V CB -1.117 30.308 31.823 -0.663 0.000 0.721 320 V HN 0.625 nan 8.190 nan 0.000 0.483 321 F N -0.805 119.027 119.950 -0.198 0.000 2.727 321 F HA 0.401 4.930 4.527 0.002 0.000 0.302 321 F C 1.819 177.541 175.800 -0.129 0.000 1.097 321 F CA 0.696 58.571 58.000 -0.207 0.000 1.330 321 F CB -0.178 38.573 39.000 -0.415 0.000 1.084 321 F HN 0.149 nan 8.300 nan 0.000 0.578 322 A N -0.705 122.126 122.820 0.018 0.000 2.192 322 A HA 0.402 4.724 4.320 0.002 0.000 0.208 322 A C 0.449 178.046 177.584 0.021 0.000 1.220 322 A CA 0.202 52.263 52.037 0.040 0.000 0.900 322 A CB 0.066 19.090 19.000 0.040 0.000 0.937 322 A HN -0.017 nan 8.150 nan 0.000 0.487 323 V N 2.395 122.299 119.914 -0.017 0.000 2.398 323 V HA 0.344 4.466 4.120 0.002 0.000 0.286 323 V C -2.564 173.518 176.094 -0.019 0.000 1.026 323 V CA -1.846 60.443 62.300 -0.019 0.000 0.868 323 V CB 1.305 33.105 31.823 -0.039 0.000 0.982 323 V HN 0.201 nan 8.190 nan 0.000 0.443 324 P HA 0.186 nan 4.420 nan 0.000 0.268 324 P C 0.576 177.876 177.300 0.000 0.000 1.205 324 P CA 0.338 63.450 63.100 0.020 0.000 0.771 324 P CB 0.867 32.587 31.700 0.033 0.000 0.858 325 S N 0.464 116.169 115.700 0.008 0.000 3.018 325 S HA -0.166 4.305 4.470 0.002 0.000 0.274 325 S C 1.585 176.168 174.600 -0.029 0.000 1.300 325 S CA 0.799 59.000 58.200 0.002 0.000 1.179 325 S CB -0.959 62.244 63.200 0.005 0.000 1.427 325 S HN 0.510 nan 8.310 nan 0.000 0.668 326 R N 0.119 120.576 120.500 -0.071 0.000 2.073 326 R HA 0.151 4.492 4.340 0.002 0.000 0.229 326 R C 0.954 177.165 176.300 -0.148 0.000 1.120 326 R CA 1.041 57.073 56.100 -0.113 0.000 0.967 326 R CB -0.308 29.892 30.300 -0.166 0.000 0.862 326 R HN 0.510 nan 8.270 nan 0.000 0.436 327 L N 0.908 122.009 121.223 -0.203 0.000 2.346 327 L HA 0.434 4.776 4.340 0.002 0.000 0.276 327 L C -0.532 176.364 176.870 0.043 0.000 1.006 327 L CA -0.811 53.889 54.840 -0.235 0.000 0.817 327 L CB 1.821 43.413 42.059 -0.780 0.000 1.272 327 L HN 0.002 nan 8.230 nan 0.000 0.421 328 N N 0.449 119.259 118.700 0.184 0.000 3.265 328 N HA 0.556 5.297 4.740 0.002 0.000 0.235 328 N C -1.663 173.970 175.510 0.205 0.000 1.343 328 N CA -0.384 52.811 53.050 0.241 0.000 0.904 328 N CB 2.083 40.637 38.487 0.111 0.000 1.492 328 N HN 0.704 nan 8.380 nan 0.000 0.504 329 S N -0.651 115.137 115.700 0.146 0.000 2.579 329 S HA 0.460 4.931 4.470 0.002 0.000 0.272 329 S C 0.417 175.003 174.600 -0.023 0.000 1.141 329 S CA -0.298 57.936 58.200 0.057 0.000 0.843 329 S CB 1.160 64.413 63.200 0.089 0.000 1.122 329 S HN 0.437 nan 8.310 nan 0.000 0.468 330 T N 1.013 115.470 114.554 -0.161 0.000 2.607 330 T HA -0.107 4.244 4.350 0.002 0.000 0.267 330 T C 0.932 175.487 174.700 -0.241 0.000 1.049 330 T CA 1.958 63.861 62.100 -0.328 0.000 1.162 330 T CB -0.380 68.069 68.868 -0.698 0.000 0.863 330 T HN 0.704 nan 8.240 nan 0.000 0.424 331 W N 0.607 121.910 121.300 0.006 0.000 2.658 331 W HA 0.355 5.016 4.660 0.002 0.000 0.263 331 W C 1.769 178.287 176.519 -0.002 0.000 1.274 331 W CA 0.488 57.831 57.345 -0.004 0.000 1.343 331 W CB -0.974 28.478 29.460 -0.014 0.000 1.106 331 W HN 0.519 nan 8.180 nan 0.000 0.615 332 G N 1.726 110.633 108.800 0.178 0.000 2.338 332 G HA2 0.082 4.043 3.960 0.002 0.000 0.296 332 G HA3 0.082 4.043 3.960 0.002 0.000 0.296 332 G C 0.674 175.625 174.900 0.085 0.000 1.040 332 G CA 0.682 45.828 45.100 0.077 0.000 1.004 332 G HN 0.828 nan 8.290 nan 0.000 0.509 333 G N -0.836 108.029 108.800 0.109 0.000 2.712 333 G HA2 0.038 4.000 3.960 0.002 0.000 0.686 333 G HA3 0.038 4.000 3.960 0.002 0.000 0.686 333 G C -0.328 174.571 174.900 -0.000 0.000 1.321 333 G CA 0.054 45.186 45.100 0.052 0.000 0.813 333 G HN 1.232 nan 8.290 nan 0.000 0.599 334 N N 0.388 119.033 118.700 -0.092 0.000 2.406 334 N HA 0.265 5.006 4.740 0.002 0.000 0.251 334 N C 1.654 177.043 175.510 -0.202 0.000 1.069 334 N CA -0.477 52.467 53.050 -0.176 0.000 0.947 334 N CB 1.255 39.624 38.487 -0.195 0.000 1.111 334 N HN 0.627 nan 8.380 nan 0.000 0.497 335 L N 4.348 125.466 121.223 -0.174 0.000 2.051 335 L HA -0.210 4.131 4.340 0.002 0.000 0.214 335 L C 1.982 178.746 176.870 -0.177 0.000 1.076 335 L CA 1.988 56.731 54.840 -0.161 0.000 0.758 335 L CB -0.779 41.221 42.059 -0.099 0.000 0.890 335 L HN 0.578 nan 8.230 nan 0.000 0.433 336 T N -0.722 113.731 114.554 -0.169 0.000 2.720 336 T HA -0.180 4.171 4.350 0.002 0.000 0.268 336 T C 1.476 176.093 174.700 -0.138 0.000 1.037 336 T CA 1.495 63.507 62.100 -0.146 0.000 1.144 336 T CB -0.403 68.377 68.868 -0.147 0.000 0.864 336 T HN 0.416 nan 8.240 nan 0.000 0.444 337 D N 0.996 121.296 120.400 -0.168 0.000 2.123 337 D HA -0.060 4.581 4.640 0.002 0.000 0.196 337 D C 2.076 178.206 176.300 -0.284 0.000 0.992 337 D CA 1.107 55.005 54.000 -0.170 0.000 0.833 337 D CB -0.321 40.382 40.800 -0.161 0.000 0.954 337 D HN 0.396 nan 8.370 nan 0.000 0.455 338 M N 0.036 119.359 119.600 -0.461 0.000 2.099 338 M HA -0.126 4.355 4.480 0.002 0.000 0.262 338 M C 2.365 178.436 176.300 -0.382 0.000 1.067 338 M CA 0.878 55.642 55.300 -0.893 0.000 1.124 338 M CB -0.146 31.901 32.600 -0.922 0.000 1.353 338 M HN -0.106 nan 8.290 nan 0.000 0.410 339 V N 0.158 119.987 119.914 -0.142 0.000 2.343 339 V HA -0.275 3.847 4.120 0.002 0.000 0.247 339 V C 2.370 178.588 176.094 0.206 0.000 1.051 339 V CA 1.976 64.311 62.300 0.057 0.000 1.036 339 V CB -0.855 30.979 31.823 0.019 0.000 0.654 339 V HN 0.464 nan 8.190 nan 0.000 0.451 340 R N 0.281 120.869 120.500 0.147 0.000 2.073 340 R HA -0.151 4.190 4.340 0.002 0.000 0.234 340 R C 2.301 178.675 176.300 0.123 0.000 1.134 340 R CA 1.697 57.938 56.100 0.235 0.000 0.952 340 R CB -0.481 29.902 30.300 0.139 0.000 0.850 340 R HN 0.476 nan 8.270 nan 0.000 0.433 341 A N 1.165 124.025 122.820 0.066 0.000 1.933 341 A HA -0.193 4.129 4.320 0.002 0.000 0.218 341 A C 2.165 179.876 177.584 0.211 0.000 1.175 341 A CA 1.459 53.571 52.037 0.125 0.000 0.628 341 A CB -0.618 18.464 19.000 0.137 0.000 0.814 341 A HN 0.460 nan 8.150 nan 0.000 0.444 342 R N -0.644 120.025 120.500 0.282 0.000 2.096 342 R HA -0.232 4.109 4.340 0.002 0.000 0.240 342 R C 2.317 178.673 176.300 0.093 0.000 1.139 342 R CA 2.118 58.380 56.100 0.271 0.000 0.952 342 R CB -0.265 30.207 30.300 0.287 0.000 0.854 342 R HN 0.369 nan 8.270 nan 0.000 0.436 343 R N 0.672 121.184 120.500 0.021 0.000 2.075 343 R HA 0.021 4.363 4.340 0.002 0.000 0.232 343 R C 2.180 178.368 176.300 -0.186 0.000 1.126 343 R CA 1.547 57.527 56.100 -0.200 0.000 0.963 343 R CB -0.491 29.385 30.300 -0.706 0.000 0.858 343 R HN 0.371 nan 8.270 nan 0.000 0.435 344 I N 0.313 120.816 120.570 -0.111 0.000 2.118 344 I HA -0.345 3.827 4.170 0.002 0.000 0.241 344 I C 1.982 178.045 176.117 -0.089 0.000 1.070 344 I CA 1.487 62.736 61.300 -0.084 0.000 1.327 344 I CB -0.311 37.677 38.000 -0.020 0.000 1.034 344 I HN 0.182 nan 8.210 nan 0.000 0.405 345 L N 0.110 121.303 121.223 -0.050 0.000 2.127 345 L HA -0.226 4.115 4.340 0.002 0.000 0.211 345 L C 2.410 179.198 176.870 -0.136 0.000 1.089 345 L CA 1.432 56.216 54.840 -0.093 0.000 0.757 345 L CB -0.634 41.395 42.059 -0.049 0.000 0.899 345 L HN 0.302 nan 8.230 nan 0.000 0.434 346 E N -0.465 119.669 120.200 -0.109 0.000 2.107 346 E HA -0.150 4.201 4.350 0.002 0.000 0.191 346 E C 2.281 178.794 176.600 -0.146 0.000 0.982 346 E CA 0.967 57.296 56.400 -0.119 0.000 0.809 346 E CB 0.039 29.681 29.700 -0.095 0.000 0.756 346 E HN 0.268 nan 8.360 nan 0.000 0.459 347 V N 1.338 121.159 119.914 -0.155 0.000 2.358 347 V HA -0.240 3.881 4.120 0.002 0.000 0.246 347 V C 2.203 178.183 176.094 -0.189 0.000 1.047 347 V CA 1.382 63.588 62.300 -0.156 0.000 1.035 347 V CB -0.354 31.381 31.823 -0.146 0.000 0.658 347 V HN 0.260 nan 8.190 nan 0.000 0.452 348 I N 0.074 120.506 120.570 -0.230 0.000 2.163 348 I HA -0.296 3.876 4.170 0.002 0.000 0.243 348 I C 2.644 178.502 176.117 -0.431 0.000 1.085 348 I CA 2.180 63.269 61.300 -0.352 0.000 1.347 348 I CB -0.340 37.404 38.000 -0.427 0.000 1.044 348 I HN 0.432 nan 8.210 nan 0.000 0.408 349 E N 1.196 121.178 120.200 -0.363 0.000 2.028 349 E HA -0.237 4.114 4.350 0.002 0.000 0.191 349 E C 2.274 178.748 176.600 -0.211 0.000 0.988 349 E CA 1.350 57.567 56.400 -0.306 0.000 0.799 349 E CB -0.075 29.492 29.700 -0.222 0.000 0.755 349 E HN 0.461 nan 8.360 nan 0.000 0.447 350 A N 0.699 123.419 122.820 -0.167 0.000 2.019 350 A HA -0.153 4.168 4.320 0.002 0.000 0.219 350 A C 1.627 179.140 177.584 -0.118 0.000 1.164 350 A CA 1.438 53.401 52.037 -0.123 0.000 0.644 350 A CB -0.217 18.720 19.000 -0.104 0.000 0.805 350 A HN 0.314 nan 8.150 nan 0.000 0.449 351 E N -1.411 118.704 120.200 -0.142 0.000 2.558 351 E HA 0.322 4.673 4.350 0.002 0.000 0.205 351 E C 0.625 177.146 176.600 -0.132 0.000 1.006 351 E CA 0.068 56.395 56.400 -0.121 0.000 0.961 351 E CB 0.109 29.740 29.700 -0.114 0.000 1.044 351 E HN 0.615 nan 8.360 nan 0.000 0.465 352 G N 1.826 110.528 108.800 -0.164 0.000 2.395 352 G HA2 -0.293 3.669 3.960 0.002 0.000 0.300 352 G HA3 -0.293 3.669 3.960 0.002 0.000 0.300 352 G C 0.693 175.505 174.900 -0.148 0.000 0.998 352 G CA 0.284 45.291 45.100 -0.155 0.000 1.046 352 G HN 0.355 nan 8.290 nan 0.000 0.513 353 L N -1.330 119.754 121.223 -0.232 0.000 2.291 353 L HA 0.053 4.394 4.340 0.002 0.000 0.214 353 L C 2.639 179.498 176.870 -0.019 0.000 1.120 353 L CA 0.410 55.156 54.840 -0.157 0.000 0.799 353 L CB -0.366 41.580 42.059 -0.189 0.000 0.925 353 L HN 0.324 nan 8.230 nan 0.000 0.446 354 F N 0.811 120.701 119.950 -0.100 0.000 2.102 354 F HA -0.228 4.300 4.527 0.003 0.000 0.298 354 F C 2.655 178.417 175.800 -0.063 0.000 1.105 354 F CA 1.571 59.511 58.000 -0.099 0.000 1.239 354 F CB -0.856 38.072 39.000 -0.120 0.000 0.991 354 F HN 0.160 nan 8.300 nan 0.000 0.474 355 E N 0.440 120.725 120.200 0.141 0.000 2.152 355 E HA -0.155 4.196 4.350 0.002 0.000 0.192 355 E C 2.300 178.946 176.600 0.077 0.000 0.983 355 E CA 1.013 57.462 56.400 0.083 0.000 0.818 355 E CB -0.266 29.464 29.700 0.050 0.000 0.758 355 E HN 0.217 nan 8.360 nan 0.000 0.467 356 R N -0.390 120.144 120.500 0.056 0.000 2.120 356 R HA -0.032 4.309 4.340 0.002 0.000 0.234 356 R C 2.152 178.506 176.300 0.091 0.000 1.123 356 R CA 1.183 57.323 56.100 0.066 0.000 0.975 356 R CB -0.296 29.969 30.300 -0.058 0.000 0.866 356 R HN 0.311 nan 8.270 nan 0.000 0.446 357 A N -0.055 122.803 122.820 0.064 0.000 1.930 357 A HA -0.074 4.248 4.320 0.002 0.000 0.217 357 A C 2.163 179.803 177.584 0.094 0.000 1.175 357 A CA 1.152 53.231 52.037 0.070 0.000 0.627 357 A CB -0.249 18.787 19.000 0.061 0.000 0.815 357 A HN 0.163 nan 8.150 nan 0.000 0.443 358 V N -0.189 119.775 119.914 0.084 0.000 2.270 358 V HA -0.251 3.870 4.120 0.002 0.000 0.245 358 V C 2.724 178.871 176.094 0.088 0.000 1.043 358 V CA 2.005 64.347 62.300 0.070 0.000 1.014 358 V CB -0.884 30.969 31.823 0.049 0.000 0.645 358 V HN 0.467 nan 8.190 nan 0.000 0.447 359 Q N -0.243 119.621 119.800 0.106 0.000 2.061 359 Q HA -0.189 4.152 4.340 0.002 0.000 0.204 359 Q C 2.190 178.234 176.000 0.073 0.000 0.984 359 Q CA 1.910 57.762 55.803 0.080 0.000 0.846 359 Q CB -0.699 28.084 28.738 0.074 0.000 0.902 359 Q HN 0.736 nan 8.270 nan 0.000 0.421 360 H N -1.570 117.516 119.070 0.027 0.000 2.502 360 H HA 0.073 4.631 4.556 0.002 0.000 0.283 360 H C 1.779 177.162 175.328 0.092 0.000 1.015 360 H CA 0.783 56.856 56.048 0.042 0.000 1.298 360 H CB 0.208 29.970 29.762 0.000 0.000 1.411 360 H HN 0.351 nan 8.280 nan 0.000 0.556 361 G N 0.948 109.852 108.800 0.175 0.000 2.421 361 G HA2 -0.170 3.792 3.960 0.002 0.000 0.217 361 G HA3 -0.170 3.792 3.960 0.002 0.000 0.217 361 G C 1.734 176.684 174.900 0.083 0.000 1.143 361 G CA -0.005 45.163 45.100 0.113 0.000 0.784 361 G HN 0.232 nan 8.290 nan 0.000 0.541 362 K N -0.724 119.726 120.400 0.083 0.000 2.148 362 K HA -0.081 4.241 4.320 0.002 0.000 0.204 362 K C 2.033 178.666 176.600 0.055 0.000 1.050 362 K CA 0.902 57.222 56.287 0.054 0.000 0.942 362 K CB -0.208 32.321 32.500 0.049 0.000 0.724 362 K HN 0.467 nan 8.250 nan 0.000 0.446 363 Y N 1.035 121.306 120.300 -0.049 0.000 2.243 363 Y HA -0.183 4.368 4.550 0.002 0.000 0.293 363 Y C 2.038 177.897 175.900 -0.068 0.000 1.124 363 Y CA 0.882 58.940 58.100 -0.071 0.000 1.159 363 Y CB -0.147 38.244 38.460 -0.115 0.000 1.008 363 Y HN -0.049 nan 8.280 nan 0.000 0.527 364 L N 0.952 122.208 121.223 0.055 0.000 2.017 364 L HA -0.138 4.203 4.340 0.002 0.000 0.208 364 L C 2.504 179.280 176.870 -0.158 0.000 1.073 364 L CA 2.103 56.897 54.840 -0.077 0.000 0.745 364 L CB -0.919 41.118 42.059 -0.036 0.000 0.894 364 L HN 0.179 nan 8.230 nan 0.000 0.432 365 R N 0.332 120.779 120.500 -0.087 0.000 2.094 365 R HA -0.166 4.176 4.340 0.002 0.000 0.239 365 R C 2.195 178.424 176.300 -0.119 0.000 1.137 365 R CA 2.064 58.117 56.100 -0.078 0.000 0.943 365 R CB -1.117 29.162 30.300 -0.034 0.000 0.850 365 R HN 0.525 nan 8.270 nan 0.000 0.433 366 A N 0.683 123.413 122.820 -0.149 0.000 1.883 366 A HA -0.180 4.142 4.320 0.002 0.000 0.217 366 A C 2.152 179.601 177.584 -0.224 0.000 1.186 366 A CA 1.737 53.666 52.037 -0.179 0.000 0.624 366 A CB -0.548 18.328 19.000 -0.207 0.000 0.822 366 A HN 0.258 nan 8.150 nan 0.000 0.444 367 R N -0.317 119.994 120.500 -0.315 0.000 2.096 367 R HA -0.045 4.296 4.340 0.002 0.000 0.235 367 R C 1.990 178.164 176.300 -0.211 0.000 1.127 367 R CA 1.238 57.165 56.100 -0.289 0.000 0.968 367 R CB -0.980 29.120 30.300 -0.334 0.000 0.861 367 R HN 0.646 nan 8.270 nan 0.000 0.440 368 L N 0.341 121.442 121.223 -0.203 0.000 2.217 368 L HA -0.113 4.229 4.340 0.002 0.000 0.211 368 L C 1.661 178.445 176.870 -0.144 0.000 1.107 368 L CA 0.820 55.545 54.840 -0.192 0.000 0.783 368 L CB -0.405 41.572 42.059 -0.137 0.000 0.919 368 L HN 0.014 nan 8.230 nan 0.000 0.442 369 D N 0.533 120.864 120.400 -0.115 0.000 2.097 369 D HA -0.175 4.466 4.640 0.002 0.000 0.195 369 D C 2.070 178.321 176.300 -0.083 0.000 0.989 369 D CA 1.144 55.093 54.000 -0.085 0.000 0.827 369 D CB -0.013 40.741 40.800 -0.075 0.000 0.966 369 D HN 0.339 nan 8.370 nan 0.000 0.456 370 E N 0.379 120.520 120.200 -0.098 0.000 2.070 370 E HA -0.158 4.193 4.350 0.002 0.000 0.197 370 E C 2.382 178.951 176.600 -0.051 0.000 1.004 370 E CA 0.536 56.888 56.400 -0.081 0.000 0.805 370 E CB -0.139 29.505 29.700 -0.093 0.000 0.744 370 E HN 0.239 nan 8.360 nan 0.000 0.451 371 L N 0.465 121.653 121.223 -0.058 0.000 1.990 371 L HA -0.272 4.070 4.340 0.002 0.000 0.213 371 L C 2.635 179.530 176.870 0.042 0.000 1.072 371 L CA 1.289 56.135 54.840 0.009 0.000 0.755 371 L CB -0.651 41.302 42.059 -0.178 0.000 0.889 371 L HN 0.206 nan 8.230 nan 0.000 0.432 372 A N -0.190 122.601 122.820 -0.049 0.000 1.908 372 A HA -0.234 4.087 4.320 0.002 0.000 0.218 372 A C 2.497 180.082 177.584 0.003 0.000 1.181 372 A CA 1.999 54.026 52.037 -0.016 0.000 0.627 372 A CB -0.706 18.277 19.000 -0.028 0.000 0.818 372 A HN 0.475 nan 8.150 nan 0.000 0.445 373 A N -0.021 122.783 122.820 -0.027 0.000 1.858 373 A HA -0.178 4.144 4.320 0.002 0.000 0.216 373 A C 1.767 179.296 177.584 -0.092 0.000 1.190 373 A CA 1.889 53.896 52.037 -0.050 0.000 0.617 373 A CB -0.628 18.336 19.000 -0.059 0.000 0.827 373 A HN 0.449 nan 8.150 nan 0.000 0.443 374 D N -1.260 119.062 120.400 -0.130 0.000 2.219 374 D HA -0.017 4.624 4.640 0.002 0.000 0.205 374 D C -0.291 175.637 176.300 -0.620 0.000 0.970 374 D CA 0.950 54.727 54.000 -0.372 0.000 0.851 374 D CB -0.137 40.405 40.800 -0.430 0.000 0.943 374 D HN 0.453 nan 8.370 nan 0.000 0.488 375 F N -0.582 119.337 119.950 -0.052 0.000 2.531 375 F HA 0.292 4.820 4.527 0.002 0.000 0.333 375 F C -1.826 173.957 175.800 -0.027 0.000 1.292 375 F CA -1.854 56.125 58.000 -0.036 0.000 1.184 375 F CB 1.866 40.843 39.000 -0.040 0.000 1.426 375 F HN -0.187 nan 8.300 nan 0.000 0.559 376 P HA -0.093 nan 4.420 nan 0.000 0.219 376 P C 1.480 178.822 177.300 0.070 0.000 1.150 376 P CA 1.024 64.155 63.100 0.052 0.000 0.814 376 P CB 0.367 32.074 31.700 0.012 0.000 0.787 377 A N -1.140 121.729 122.820 0.082 0.000 2.208 377 A HA 0.078 4.399 4.320 0.002 0.000 0.209 377 A C 1.858 179.498 177.584 0.093 0.000 1.161 377 A CA 0.972 53.054 52.037 0.076 0.000 0.782 377 A CB -0.827 18.211 19.000 0.064 0.000 0.816 377 A HN 0.065 nan 8.150 nan 0.000 0.477 378 V N -1.572 118.416 119.914 0.123 0.000 2.854 378 V HA 0.070 4.192 4.120 0.002 0.000 0.236 378 V C 0.757 176.928 176.094 0.129 0.000 1.157 378 V CA 0.359 62.730 62.300 0.117 0.000 1.187 378 V CB -0.005 31.885 31.823 0.112 0.000 0.949 378 V HN 0.060 nan 8.190 nan 0.000 0.488 379 V N 3.846 123.826 119.914 0.111 0.000 2.338 379 V HA 0.289 4.411 4.120 0.002 0.000 0.255 379 V C -0.242 175.922 176.094 0.117 0.000 1.082 379 V CA 0.159 62.504 62.300 0.076 0.000 0.951 379 V CB 0.081 31.799 31.823 -0.175 0.000 1.102 379 V HN 0.247 nan 8.190 nan 0.000 0.489 380 L N 3.837 125.181 121.223 0.202 0.000 2.325 380 L HA 0.496 4.838 4.340 0.002 0.000 0.279 380 L C 0.668 177.640 176.870 0.169 0.000 1.054 380 L CA -0.525 54.405 54.840 0.150 0.000 0.804 380 L CB 0.778 42.913 42.059 0.127 0.000 1.200 380 L HN 0.599 nan 8.230 nan 0.000 0.436 381 D N 1.892 122.360 120.400 0.112 0.000 2.737 381 D HA -0.114 4.527 4.640 0.002 0.000 0.238 381 D C -2.215 174.161 176.300 0.126 0.000 1.157 381 D CA -0.057 54.003 54.000 0.100 0.000 0.694 381 D CB -0.197 40.662 40.800 0.098 0.000 1.021 381 D HN 0.149 nan 8.370 nan 0.000 0.420 382 P HA 0.070 nan 4.420 nan 0.000 0.269 382 P C -0.051 177.279 177.300 0.051 0.000 1.252 382 P CA 0.281 63.451 63.100 0.117 0.000 0.780 382 P CB 0.340 32.060 31.700 0.034 0.000 0.829 383 R N 2.167 122.701 120.500 0.057 0.000 2.888 383 R HA 0.930 5.272 4.340 0.002 0.000 0.266 383 R C -0.608 175.671 176.300 -0.034 0.000 1.020 383 R CA -1.041 55.021 56.100 -0.064 0.000 0.963 383 R CB 1.910 32.130 30.300 -0.134 0.000 1.197 383 R HN 0.478 nan 8.270 nan 0.000 0.481 384 G N 0.629 109.338 108.800 -0.151 0.000 2.404 384 G HA2 0.334 4.295 3.960 0.002 0.000 0.298 384 G HA3 0.334 4.295 3.960 0.002 0.000 0.298 384 G C -1.934 172.993 174.900 0.045 0.000 1.577 384 G CA -1.009 44.110 45.100 0.031 0.000 0.847 384 G HN 0.593 nan 8.290 nan 0.000 0.598 385 R N 0.717 121.346 120.500 0.216 0.000 2.502 385 R HA 0.600 4.942 4.340 0.002 0.000 0.300 385 R C 0.909 177.277 176.300 0.115 0.000 0.984 385 R CA 0.799 56.998 56.100 0.166 0.000 0.882 385 R CB 1.244 31.692 30.300 0.247 0.000 1.180 385 R HN 2.335 nan 8.270 nan 0.000 0.444 386 G N 2.679 111.523 108.800 0.074 0.000 2.566 386 G HA2 -0.336 3.625 3.960 0.002 0.000 0.280 386 G HA3 -0.336 3.625 3.960 0.002 0.000 0.280 386 G C 0.057 175.003 174.900 0.076 0.000 1.225 386 G CA 0.010 45.146 45.100 0.060 0.000 0.966 386 G HN 0.466 nan 8.290 nan 0.000 0.560 387 L N 0.586 121.852 121.223 0.072 0.000 2.599 387 L HA 0.380 4.721 4.340 0.002 0.000 0.230 387 L C 2.014 178.947 176.870 0.105 0.000 1.141 387 L CA 0.842 55.732 54.840 0.084 0.000 0.877 387 L CB -0.559 41.539 42.059 0.066 0.000 1.009 387 L HN 0.562 nan 8.230 nan 0.000 0.447 388 M N 0.085 119.750 119.600 0.108 0.000 2.725 388 M HA 0.165 4.647 4.480 0.002 0.000 0.322 388 M C -0.994 175.418 176.300 0.186 0.000 1.393 388 M CA 0.004 55.383 55.300 0.132 0.000 1.452 388 M CB -0.290 32.373 32.600 0.104 0.000 1.242 388 M HN 0.123 nan 8.290 nan 0.000 0.487 389 C N 2.583 122.014 119.300 0.217 0.000 2.779 389 C HA 1.018 5.479 4.460 0.002 0.000 0.314 389 C C 0.070 175.279 174.990 0.364 0.000 1.231 389 C CA -0.842 58.324 59.018 0.248 0.000 1.652 389 C CB 1.248 29.084 27.740 0.160 0.000 2.198 389 C HN 0.869 nan 8.230 nan 0.000 0.483 390 A N 0.691 123.707 122.820 0.326 0.000 2.583 390 A HA 1.042 5.364 4.320 0.002 0.000 0.289 390 A C -1.272 176.534 177.584 0.370 0.000 1.151 390 A CA -0.494 51.724 52.037 0.302 0.000 0.695 390 A CB 1.199 20.266 19.000 0.111 0.000 1.290 390 A HN 1.412 nan 8.150 nan 0.000 0.419 391 F N -1.881 118.173 119.950 0.174 0.000 2.715 391 F HA 0.872 5.400 4.527 0.002 0.000 0.318 391 F C -0.320 175.521 175.800 0.069 0.000 1.141 391 F CA -0.785 57.280 58.000 0.107 0.000 0.950 391 F CB 1.149 40.215 39.000 0.111 0.000 1.374 391 F HN 0.431 nan 8.300 nan 0.000 0.477 392 S N 0.740 116.561 115.700 0.202 0.000 2.648 392 S HA 0.829 5.300 4.470 0.002 0.000 0.305 392 S C -1.007 173.691 174.600 0.164 0.000 1.094 392 S CA -0.654 57.584 58.200 0.064 0.000 0.983 392 S CB 1.911 65.150 63.200 0.066 0.000 1.101 392 S HN 0.557 nan 8.310 nan 0.000 0.514 393 L N 1.729 122.993 121.223 0.068 0.000 2.313 393 L HA 0.476 4.817 4.340 0.002 0.000 0.268 393 L C -1.766 175.142 176.870 0.063 0.000 1.010 393 L CA -1.956 52.940 54.840 0.093 0.000 0.814 393 L CB 0.948 43.044 42.059 0.061 0.000 1.304 393 L HN 0.385 nan 8.230 nan 0.000 0.441 394 P HA -0.076 nan 4.420 nan 0.000 0.214 394 P C -0.114 177.206 177.300 0.034 0.000 1.163 394 P CA 1.086 64.216 63.100 0.050 0.000 0.883 394 P CB 0.042 31.772 31.700 0.049 0.000 0.788 395 T N -6.244 108.326 114.554 0.027 0.000 2.908 395 T HA 0.339 4.690 4.350 0.002 0.000 0.290 395 T C 1.017 175.720 174.700 0.006 0.000 1.034 395 T CA -0.317 61.793 62.100 0.016 0.000 1.010 395 T CB 1.292 70.170 68.868 0.015 0.000 1.068 395 T HN -0.129 nan 8.240 nan 0.000 0.481 396 T N 0.527 115.081 114.554 -0.001 0.000 2.849 396 T HA -0.090 4.262 4.350 0.002 0.000 0.270 396 T C 2.108 176.799 174.700 -0.014 0.000 1.066 396 T CA 1.799 63.891 62.100 -0.013 0.000 1.130 396 T CB -0.961 67.898 68.868 -0.014 0.000 0.864 396 T HN 0.810 nan 8.240 nan 0.000 0.481 397 A N 1.214 124.031 122.820 -0.006 0.000 1.930 397 A HA -0.032 4.289 4.320 0.002 0.000 0.217 397 A C 2.155 179.737 177.584 -0.004 0.000 1.175 397 A CA 1.788 53.821 52.037 -0.005 0.000 0.627 397 A CB -0.622 18.378 19.000 0.000 0.000 0.815 397 A HN 0.545 nan 8.150 nan 0.000 0.443 398 D N -0.451 119.951 120.400 0.003 0.000 2.084 398 D HA -0.153 4.489 4.640 0.002 0.000 0.194 398 D C 2.092 178.391 176.300 -0.002 0.000 0.990 398 D CA 0.952 54.957 54.000 0.009 0.000 0.826 398 D CB -0.402 40.412 40.800 0.022 0.000 0.971 398 D HN 0.213 nan 8.370 nan 0.000 0.453 399 R N 0.876 121.366 120.500 -0.016 0.000 2.113 399 R HA -0.160 4.181 4.340 0.002 0.000 0.244 399 R C 1.286 177.555 176.300 -0.052 0.000 1.142 399 R CA 1.497 57.568 56.100 -0.048 0.000 0.953 399 R CB -0.416 29.844 30.300 -0.066 0.000 0.860 399 R HN 0.174 nan 8.270 nan 0.000 0.438 400 D N -0.178 120.197 120.400 -0.041 0.000 2.149 400 D HA -0.119 4.523 4.640 0.002 0.000 0.201 400 D C 1.824 178.108 176.300 -0.028 0.000 0.972 400 D CA 0.817 54.790 54.000 -0.044 0.000 0.835 400 D CB -0.153 40.622 40.800 -0.042 0.000 0.966 400 D HN 0.200 nan 8.370 nan 0.000 0.476 401 E N 0.515 120.707 120.200 -0.013 0.000 2.072 401 E HA -0.114 4.237 4.350 0.002 0.000 0.191 401 E C 1.892 178.499 176.600 0.011 0.000 0.985 401 E CA 0.333 56.734 56.400 0.002 0.000 0.801 401 E CB -0.361 29.343 29.700 0.007 0.000 0.750 401 E HN 0.138 nan 8.360 nan 0.000 0.452 402 L N 0.264 121.491 121.223 0.006 0.000 2.079 402 L HA -0.082 4.260 4.340 0.002 0.000 0.210 402 L C 2.076 178.959 176.870 0.021 0.000 1.081 402 L CA 1.533 56.385 54.840 0.019 0.000 0.752 402 L CB -0.407 41.668 42.059 0.028 0.000 0.896 402 L HN 0.236 nan 8.230 nan 0.000 0.433 403 I N -1.020 119.545 120.570 -0.007 0.000 2.252 403 I HA -0.272 3.899 4.170 0.002 0.000 0.245 403 I C 2.622 178.778 176.117 0.066 0.000 1.102 403 I CA 1.033 62.331 61.300 -0.002 0.000 1.385 403 I CB -0.284 37.678 38.000 -0.063 0.000 1.064 403 I HN 0.214 nan 8.210 nan 0.000 0.414 404 R N 0.202 120.732 120.500 0.050 0.000 2.091 404 R HA -0.182 4.159 4.340 0.002 0.000 0.238 404 R C 2.344 178.741 176.300 0.162 0.000 1.136 404 R CA 1.159 57.321 56.100 0.103 0.000 0.959 404 R CB -0.213 30.116 30.300 0.050 0.000 0.856 404 R HN 0.393 nan 8.270 nan 0.000 0.437 405 Q N 0.212 120.073 119.800 0.102 0.000 2.119 405 Q HA -0.102 4.240 4.340 0.002 0.000 0.201 405 Q C 2.108 178.167 176.000 0.098 0.000 0.972 405 Q CA 1.057 56.911 55.803 0.086 0.000 0.847 405 Q CB -0.147 28.622 28.738 0.052 0.000 0.903 405 Q HN 0.201 nan 8.270 nan 0.000 0.433 406 L N -0.229 121.063 121.223 0.116 0.000 2.093 406 L HA -0.129 4.212 4.340 0.002 0.000 0.208 406 L C 1.971 178.939 176.870 0.162 0.000 1.085 406 L CA 1.350 56.262 54.840 0.120 0.000 0.755 406 L CB -1.177 40.950 42.059 0.114 0.000 0.904 406 L HN 0.424 nan 8.230 nan 0.000 0.435 407 W N 0.479 121.802 121.300 0.038 0.000 2.355 407 W HA -0.267 4.394 4.660 0.002 0.000 0.309 407 W C 2.322 178.904 176.519 0.105 0.000 1.206 407 W CA 1.572 58.969 57.345 0.086 0.000 1.284 407 W CB -0.149 29.335 29.460 0.039 0.000 1.145 407 W HN 0.269 nan 8.180 nan 0.000 0.502 408 Q N -0.020 119.834 119.800 0.091 0.000 2.135 408 Q HA -0.209 4.132 4.340 0.002 0.000 0.204 408 Q C 2.042 177.976 176.000 -0.109 0.000 0.981 408 Q CA 1.775 57.565 55.803 -0.021 0.000 0.856 408 Q CB -0.247 28.524 28.738 0.055 0.000 0.902 408 Q HN 0.215 nan 8.270 nan 0.000 0.425 409 R N -0.500 119.959 120.500 -0.069 0.000 2.325 409 R HA 0.218 4.559 4.340 0.002 0.000 0.214 409 R C 0.308 176.506 176.300 -0.171 0.000 0.961 409 R CA 0.467 56.511 56.100 -0.094 0.000 1.086 409 R CB 0.314 30.599 30.300 -0.026 0.000 1.037 409 R HN 0.193 nan 8.270 nan 0.000 0.493 410 A N 0.010 122.646 122.820 -0.306 0.000 2.846 410 A HA -0.145 4.176 4.320 0.002 0.000 0.287 410 A C -0.078 177.423 177.584 -0.137 0.000 1.469 410 A CA 0.574 52.300 52.037 -0.518 0.000 0.757 410 A CB -1.869 16.627 19.000 -0.840 0.000 1.033 410 A HN 0.104 nan 8.150 nan 0.000 0.516 411 V N 0.868 120.796 119.914 0.024 0.000 2.409 411 V HA 0.538 4.660 4.120 0.002 0.000 0.291 411 V C 0.260 176.467 176.094 0.188 0.000 1.020 411 V CA -0.308 62.057 62.300 0.109 0.000 0.848 411 V CB 1.714 33.599 31.823 0.104 0.000 0.990 411 V HN 0.432 nan 8.190 nan 0.000 0.430 412 I N 6.364 127.051 120.570 0.194 0.000 2.315 412 I HA 0.583 4.754 4.170 0.002 0.000 0.291 412 I C 0.088 176.262 176.117 0.095 0.000 1.006 412 I CA -0.480 60.928 61.300 0.180 0.000 1.265 412 I CB 1.360 39.433 38.000 0.122 0.000 1.387 412 I HN 0.519 nan 8.210 nan 0.000 0.475 413 V N 4.470 124.391 119.914 0.011 0.000 3.164 413 V HA 0.649 4.770 4.120 0.002 0.000 0.313 413 V C -0.719 175.326 176.094 -0.082 0.000 1.188 413 V CA -1.023 61.220 62.300 -0.095 0.000 1.058 413 V CB 2.291 33.925 31.823 -0.314 0.000 1.110 413 V HN 0.546 nan 8.190 nan 0.000 0.453 414 L N 2.398 123.552 121.223 -0.114 0.000 2.362 414 L HA 0.616 4.958 4.340 0.002 0.000 0.275 414 L C -2.458 174.328 176.870 -0.141 0.000 0.998 414 L CA -1.771 53.029 54.840 -0.067 0.000 0.820 414 L CB 2.889 44.957 42.059 0.014 0.000 1.270 414 L HN 0.574 nan 8.230 nan 0.000 0.415 415 P HA 0.390 nan 4.420 nan 0.000 0.276 415 P C -1.400 175.827 177.300 -0.121 0.000 1.252 415 P CA -0.416 62.599 63.100 -0.140 0.000 0.802 415 P CB 1.771 33.400 31.700 -0.119 0.000 1.035 416 A N 0.067 122.814 122.820 -0.121 0.000 2.520 416 A HA 0.712 5.034 4.320 0.002 0.000 0.298 416 A C 0.164 177.696 177.584 -0.087 0.000 1.051 416 A CA -0.055 51.921 52.037 -0.102 0.000 0.690 416 A CB 0.992 19.931 19.000 -0.102 0.000 1.281 416 A HN 0.880 nan 8.150 nan 0.000 0.402 417 G N 0.416 109.176 108.800 -0.067 0.000 2.575 417 G HA2 0.173 4.135 3.960 0.002 0.000 0.267 417 G HA3 0.173 4.135 3.960 0.002 0.000 0.267 417 G C 1.204 176.080 174.900 -0.040 0.000 1.264 417 G CA 1.047 46.119 45.100 -0.047 0.000 0.935 417 G HN 2.272 nan 8.290 nan 0.000 0.568 418 A N -0.847 121.956 122.820 -0.028 0.000 1.929 418 A HA 0.315 4.637 4.320 0.002 0.000 0.216 418 A C 1.649 179.215 177.584 -0.031 0.000 1.176 418 A CA 2.534 54.559 52.037 -0.020 0.000 0.628 418 A CB -0.200 18.798 19.000 -0.003 0.000 0.816 418 A HN 1.697 nan 8.150 nan 0.000 0.444 419 D N -2.813 117.563 120.400 -0.040 0.000 2.651 419 D HA 0.174 4.816 4.640 0.002 0.000 0.280 419 D C -0.330 175.920 176.300 -0.083 0.000 1.496 419 D CA -0.055 53.918 54.000 -0.045 0.000 0.792 419 D CB -0.671 40.122 40.800 -0.012 0.000 1.144 419 D HN -0.005 nan 8.370 nan 0.000 0.470 420 T N 0.159 114.643 114.554 -0.117 0.000 2.823 420 T HA 0.549 4.900 4.350 0.002 0.000 0.279 420 T C -0.440 174.105 174.700 -0.259 0.000 0.998 420 T CA -0.562 61.434 62.100 -0.174 0.000 0.994 420 T CB 2.307 71.100 68.868 -0.126 0.000 0.960 420 T HN -0.102 nan 8.240 nan 0.000 0.448 421 V N 5.204 124.856 119.914 -0.436 0.000 2.398 421 V HA 0.530 4.651 4.120 0.002 0.000 0.286 421 V C 0.239 176.050 176.094 -0.471 0.000 1.026 421 V CA -0.852 61.134 62.300 -0.523 0.000 0.868 421 V CB 1.200 32.544 31.823 -0.797 0.000 0.982 421 V HN 0.782 nan 8.190 nan 0.000 0.443 422 R N 3.630 123.903 120.500 -0.379 0.000 2.664 422 R HA 0.675 5.017 4.340 0.002 0.000 0.286 422 R C -1.694 174.383 176.300 -0.371 0.000 0.967 422 R CA -0.601 55.359 56.100 -0.233 0.000 0.933 422 R CB 1.599 31.848 30.300 -0.085 0.000 1.146 422 R HN 0.383 nan 8.270 nan 0.000 0.468 423 F N 1.544 121.512 119.950 0.030 0.000 2.411 423 F HA 0.453 4.982 4.527 0.002 0.000 0.352 423 F C 0.438 176.263 175.800 0.040 0.000 1.123 423 F CA -0.903 57.129 58.000 0.053 0.000 1.044 423 F CB 1.558 40.606 39.000 0.080 0.000 1.135 423 F HN 0.244 nan 8.300 nan 0.000 0.461 424 R N 3.473 124.063 120.500 0.150 0.000 2.564 424 R HA 0.332 4.674 4.340 0.002 0.000 0.282 424 R C -3.005 173.329 176.300 0.057 0.000 1.573 424 R CA -2.059 54.089 56.100 0.080 0.000 1.588 424 R CB 0.653 30.957 30.300 0.007 0.000 1.154 424 R HN 0.270 nan 8.270 nan 0.000 0.606 425 P HA 0.330 nan 4.420 nan 0.000 0.276 425 P C -2.520 174.773 177.300 -0.011 0.000 1.252 425 P CA -1.855 61.269 63.100 0.040 0.000 0.802 425 P CB 0.120 31.861 31.700 0.067 0.000 1.035 426 P HA 0.164 nan 4.420 nan 0.000 0.271 426 P C 1.061 178.330 177.300 -0.051 0.000 1.218 426 P CA -0.068 63.000 63.100 -0.053 0.000 0.780 426 P CB 0.287 31.946 31.700 -0.067 0.000 0.901 427 L N 0.975 122.170 121.223 -0.047 0.000 2.263 427 L HA -0.189 4.152 4.340 0.002 0.000 0.216 427 L C 1.736 178.534 176.870 -0.120 0.000 1.111 427 L CA 2.070 56.875 54.840 -0.060 0.000 0.773 427 L CB -1.378 40.658 42.059 -0.039 0.000 0.906 427 L HN 0.504 nan 8.230 nan 0.000 0.439 428 T N -3.791 110.695 114.554 -0.113 0.000 3.107 428 T HA 0.109 4.460 4.350 0.002 0.000 0.249 428 T C 0.772 175.378 174.700 -0.156 0.000 1.096 428 T CA -0.329 61.686 62.100 -0.141 0.000 1.012 428 T CB -0.262 68.551 68.868 -0.092 0.000 0.977 428 T HN 0.031 nan 8.240 nan 0.000 0.527 429 V N 4.200 124.035 119.914 -0.132 0.000 2.681 429 V HA 0.174 4.295 4.120 0.002 0.000 0.306 429 V C 0.742 176.775 176.094 -0.103 0.000 1.077 429 V CA 0.125 62.372 62.300 -0.087 0.000 1.224 429 V CB 0.063 31.869 31.823 -0.027 0.000 0.879 429 V HN 0.825 nan 8.190 nan 0.000 0.494 430 S N 3.691 119.390 115.700 -0.002 0.000 2.652 430 S HA 0.273 4.744 4.470 0.002 0.000 0.270 430 S C 1.357 176.030 174.600 0.122 0.000 1.243 430 S CA 0.047 58.299 58.200 0.087 0.000 0.999 430 S CB 1.472 64.707 63.200 0.058 0.000 0.973 430 S HN 1.112 nan 8.310 nan 0.000 0.544 431 T N -1.131 113.442 114.554 0.031 0.000 2.867 431 T HA -0.025 4.327 4.350 0.002 0.000 0.268 431 T C 1.992 176.661 174.700 -0.050 0.000 1.057 431 T CA 0.987 62.948 62.100 -0.232 0.000 1.136 431 T CB -1.029 67.357 68.868 -0.802 0.000 0.874 431 T HN 0.895 nan 8.240 nan 0.000 0.466 432 A N 1.975 124.790 122.820 -0.007 0.000 1.908 432 A HA -0.128 4.193 4.320 0.002 0.000 0.218 432 A C 2.292 179.929 177.584 0.087 0.000 1.181 432 A CA 1.852 53.918 52.037 0.048 0.000 0.627 432 A CB -0.832 18.195 19.000 0.045 0.000 0.818 432 A HN 0.661 nan 8.150 nan 0.000 0.445 433 E N -0.347 119.905 120.200 0.088 0.000 2.051 433 E HA -0.160 4.191 4.350 0.002 0.000 0.192 433 E C 1.859 178.510 176.600 0.086 0.000 0.991 433 E CA 1.309 57.760 56.400 0.084 0.000 0.799 433 E CB -0.323 29.396 29.700 0.033 0.000 0.748 433 E HN 0.699 nan 8.360 nan 0.000 0.449 434 I N 1.575 122.211 120.570 0.110 0.000 2.151 434 I HA -0.322 3.850 4.170 0.002 0.000 0.243 434 I C 1.880 178.073 176.117 0.127 0.000 1.080 434 I CA 1.175 62.554 61.300 0.131 0.000 1.339 434 I CB -0.295 37.839 38.000 0.223 0.000 1.039 434 I HN 0.085 nan 8.210 nan 0.000 0.409 435 D N 1.052 121.550 120.400 0.164 0.000 2.104 435 D HA -0.203 4.438 4.640 0.002 0.000 0.194 435 D C 2.281 178.634 176.300 0.089 0.000 0.994 435 D CA 1.758 55.833 54.000 0.125 0.000 0.830 435 D CB -0.346 40.534 40.800 0.132 0.000 0.959 435 D HN 0.388 nan 8.370 nan 0.000 0.452 436 A N 1.041 123.918 122.820 0.095 0.000 1.948 436 A HA -0.143 4.178 4.320 0.002 0.000 0.220 436 A C 2.313 179.953 177.584 0.094 0.000 1.177 436 A CA 2.557 54.649 52.037 0.091 0.000 0.636 436 A CB -0.664 18.404 19.000 0.114 0.000 0.815 436 A HN 0.272 nan 8.150 nan 0.000 0.449 437 A N -0.196 122.688 122.820 0.107 0.000 1.872 437 A HA 0.020 4.341 4.320 0.002 0.000 0.214 437 A C 1.995 179.667 177.584 0.147 0.000 1.187 437 A CA 1.465 53.593 52.037 0.152 0.000 0.614 437 A CB -0.427 18.699 19.000 0.210 0.000 0.826 437 A HN 0.393 nan 8.150 nan 0.000 0.442 438 I N 0.278 120.897 120.570 0.081 0.000 2.226 438 I HA -0.233 3.938 4.170 0.002 0.000 0.245 438 I C 2.938 179.084 176.117 0.048 0.000 1.100 438 I CA 1.420 62.743 61.300 0.039 0.000 1.374 438 I CB -1.691 36.295 38.000 -0.024 0.000 1.057 438 I HN 0.357 nan 8.210 nan 0.000 0.413 439 A N 1.055 123.907 122.820 0.053 0.000 1.908 439 A HA -0.163 4.158 4.320 0.002 0.000 0.218 439 A C 2.579 180.192 177.584 0.050 0.000 1.181 439 A CA 2.210 54.276 52.037 0.049 0.000 0.627 439 A CB -0.834 18.195 19.000 0.048 0.000 0.818 439 A HN 0.424 nan 8.150 nan 0.000 0.445 440 A N -0.707 122.150 122.820 0.063 0.000 1.933 440 A HA 0.022 4.343 4.320 0.002 0.000 0.218 440 A C 2.220 179.841 177.584 0.062 0.000 1.175 440 A CA 1.779 53.852 52.037 0.060 0.000 0.628 440 A CB -0.812 18.232 19.000 0.073 0.000 0.814 440 A HN 0.397 nan 8.150 nan 0.000 0.444 441 V N -0.385 119.579 119.914 0.084 0.000 2.307 441 V HA -0.232 3.889 4.120 0.002 0.000 0.245 441 V C 2.578 178.648 176.094 -0.039 0.000 1.045 441 V CA 2.145 64.486 62.300 0.069 0.000 1.024 441 V CB -0.789 31.119 31.823 0.142 0.000 0.651 441 V HN 0.526 nan 8.190 nan 0.000 0.449 442 R N -0.116 120.367 120.500 -0.028 0.000 2.096 442 R HA -0.180 4.161 4.340 0.002 0.000 0.240 442 R C 2.717 179.012 176.300 -0.008 0.000 1.139 442 R CA 1.882 57.969 56.100 -0.022 0.000 0.952 442 R CB -0.552 29.795 30.300 0.079 0.000 0.854 442 R HN 0.425 nan 8.270 nan 0.000 0.436 443 S N -0.113 115.597 115.700 0.016 0.000 2.359 443 S HA -0.229 4.243 4.470 0.002 0.000 0.223 443 S C 1.904 176.504 174.600 0.000 0.000 1.039 443 S CA 1.604 59.815 58.200 0.018 0.000 1.042 443 S CB -0.222 62.990 63.200 0.021 0.000 0.915 443 S HN 0.557 nan 8.310 nan 0.000 0.439 444 A N 0.598 123.412 122.820 -0.011 0.000 2.014 444 A HA 0.131 4.452 4.320 0.002 0.000 0.218 444 A C 2.074 179.631 177.584 -0.047 0.000 1.163 444 A CA 0.729 52.760 52.037 -0.009 0.000 0.652 444 A CB -0.512 18.498 19.000 0.016 0.000 0.808 444 A HN 0.472 nan 8.150 nan 0.000 0.449 445 L N -0.391 120.750 121.223 -0.136 0.000 1.989 445 L HA -0.147 4.194 4.340 0.002 0.000 0.211 445 L C -0.416 176.385 176.870 -0.115 0.000 1.071 445 L CA 1.757 56.453 54.840 -0.239 0.000 0.749 445 L CB -1.415 40.224 42.059 -0.699 0.000 0.890 445 L HN 0.238 nan 8.230 nan 0.000 0.431 446 P HA -0.133 nan 4.420 nan 0.000 0.218 446 P C 1.850 179.171 177.300 0.034 0.000 1.148 446 P CA 1.087 64.222 63.100 0.060 0.000 0.822 446 P CB 0.023 31.781 31.700 0.097 0.000 0.784 447 V N -0.027 119.897 119.914 0.017 0.000 2.407 447 V HA -0.195 3.927 4.120 0.002 0.000 0.248 447 V C 2.489 178.592 176.094 0.016 0.000 1.055 447 V CA 2.054 64.365 62.300 0.018 0.000 1.049 447 V CB -1.385 30.448 31.823 0.017 0.000 0.662 447 V HN 0.083 nan 8.190 nan 0.000 0.455 448 V N 0.673 120.592 119.914 0.007 0.000 2.283 448 V HA -0.104 4.017 4.120 0.002 0.000 0.243 448 V C 1.733 177.839 176.094 0.020 0.000 1.039 448 V CA 1.886 64.193 62.300 0.011 0.000 1.016 448 V CB -0.861 30.967 31.823 0.007 0.000 0.650 448 V HN 0.708 nan 8.190 nan 0.000 0.449 449 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 62.126 62.100 0.043 0.000 1.349 449 T CB 0.000 68.910 68.868 0.070 0.000 0.612 449 T HN 0.000 nan 8.240 nan 0.000 0.658