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 3cvr_1_A DATA FIRST_RESID 25 DATA SEQUENCE TYADYFSAWD KWEKQALPGE NRNEAVSLLK ECLINQFSEL QLNRLNLSSL DATA SEQUENCE PDNLPPQITV LEITQNALIS LPELPASLEY LDACDNRLST LPELPASLKH DATA SEQUENCE LDVDNNQLTX LPELPALLEY INADNNQLTX LPELPTSLEV LSVRNNQLTF DATA SEQUENCE LPELPESLEA LDVSTNLLES LPAVPXXXXX XXXTEIFFRC RENRITHIPE DATA SEQUENCE NILSLDPTCT IILEDNPLSS RIRESLSQQT AQPDXXXPRI YFSXXXXXXX DATA SEQUENCE XXXXPLADAV TAWFPXXXXX DVSQIWHAFE HEEHANTFSA FLDRLSDTVS DATA SEQUENCE ARNTSGFREQ VAAWLEKLSA SAELRQQSFA VAADATESCE DRVALTWNNL DATA SEQUENCE RKTLLVHQAS EGLFDNDTGA LLSLGREXFR LEILEDIARD KVRTLHFVDE DATA SEQUENCE IEVYLAFQTX LAEKLQLSTA VKEXRFYGVS GVTANDLRTA EAXVRSREEN DATA SEQUENCE EFTDWFSLWG PWHAVLKRTE ADRWALAEEQ KYXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXRET EQQIYRQLTD EVLALRL 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 25 T HA 0.000 nan 4.350 nan 0.000 0.228 25 T C 0.000 174.675 174.700 -0.041 0.000 1.109 25 T CA 0.000 62.086 62.100 -0.023 0.000 1.349 25 T CB 0.000 68.807 68.868 -0.102 0.000 0.612 26 Y N 1.267 121.482 120.300 -0.142 0.000 2.315 26 Y HA 0.169 4.725 4.550 0.010 0.000 0.288 26 Y C 2.110 177.735 175.900 -0.458 0.000 1.154 26 Y CA 1.412 59.354 58.100 -0.264 0.000 1.229 26 Y CB -0.812 37.368 38.460 -0.465 0.000 0.980 26 Y HN 0.710 nan 8.280 nan 0.000 0.540 27 A N 0.997 123.049 122.820 -1.280 0.000 1.972 27 A HA -0.190 4.136 4.320 0.010 0.000 0.219 27 A C 1.897 179.218 177.584 -0.439 0.000 1.169 27 A CA 1.827 53.290 52.037 -0.957 0.000 0.635 27 A CB -0.767 17.807 19.000 -0.710 0.000 0.810 27 A HN 0.582 nan 8.150 nan 0.000 0.446 28 D N -1.169 119.009 120.400 -0.369 0.000 2.117 28 D HA -0.155 4.491 4.640 0.010 0.000 0.197 28 D C 1.675 177.733 176.300 -0.403 0.000 0.987 28 D CA 1.414 55.212 54.000 -0.337 0.000 0.829 28 D CB -0.414 40.167 40.800 -0.364 0.000 0.961 28 D HN 0.652 nan 8.370 nan 0.000 0.460 29 Y N 0.287 120.322 120.300 -0.442 0.000 2.145 29 Y HA -0.151 4.404 4.550 0.010 0.000 0.286 29 Y C 2.491 177.976 175.900 -0.692 0.000 1.145 29 Y CA 1.040 58.656 58.100 -0.806 0.000 1.148 29 Y CB -0.547 37.377 38.460 -0.894 0.000 0.981 29 Y HN -0.038 nan 8.280 nan 0.000 0.507 30 F N -1.701 118.051 119.950 -0.331 0.000 2.134 30 F HA -0.271 4.261 4.527 0.010 0.000 0.299 30 F C 2.756 178.548 175.800 -0.012 0.000 1.097 30 F CA 0.850 58.824 58.000 -0.044 0.000 1.264 30 F CB -0.454 38.546 39.000 -0.001 0.000 1.001 30 F HN -0.017 nan 8.300 nan 0.000 0.479 31 S N 0.070 115.822 115.700 0.086 0.000 2.368 31 S HA -0.165 4.311 4.470 0.010 0.000 0.224 31 S C 2.188 176.819 174.600 0.052 0.000 1.029 31 S CA 1.104 59.330 58.200 0.044 0.000 0.988 31 S CB -0.418 62.762 63.200 -0.033 0.000 0.838 31 S HN 0.317 nan 8.310 nan 0.000 0.462 32 A N 1.009 123.808 122.820 -0.035 0.000 1.877 32 A HA -0.083 4.243 4.320 0.010 0.000 0.216 32 A C 1.973 179.691 177.584 0.222 0.000 1.186 32 A CA 1.510 53.552 52.037 0.007 0.000 0.620 32 A CB -1.050 17.861 19.000 -0.147 0.000 0.822 32 A HN 0.752 nan 8.150 nan 0.000 0.443 33 W N 0.730 122.123 121.300 0.155 0.000 2.358 33 W HA -0.091 4.575 4.660 0.010 0.000 0.303 33 W C 1.742 178.412 176.519 0.251 0.000 1.208 33 W CA 1.013 58.476 57.345 0.196 0.000 1.274 33 W CB -1.271 28.267 29.460 0.130 0.000 1.138 33 W HN 0.393 nan 8.180 nan 0.000 0.515 34 D N -0.030 120.596 120.400 0.377 0.000 2.144 34 D HA -0.148 4.497 4.640 0.010 0.000 0.199 34 D C 1.914 178.337 176.300 0.205 0.000 0.984 34 D CA 1.466 55.611 54.000 0.242 0.000 0.834 34 D CB -0.288 40.611 40.800 0.165 0.000 0.955 34 D HN 0.219 nan 8.370 nan 0.000 0.465 35 K N -0.375 120.152 120.400 0.212 0.000 2.057 35 K HA -0.146 4.180 4.320 0.010 0.000 0.206 35 K C 2.011 178.737 176.600 0.210 0.000 1.050 35 K CA 0.808 57.196 56.287 0.168 0.000 0.935 35 K CB -0.195 32.390 32.500 0.143 0.000 0.715 35 K HN 0.191 nan 8.250 nan 0.000 0.439 36 W N 2.615 123.978 121.300 0.105 0.000 2.363 36 W HA -0.173 4.492 4.660 0.009 0.000 0.296 36 W C 1.846 178.405 176.519 0.066 0.000 1.212 36 W CA 1.489 58.891 57.345 0.096 0.000 1.260 36 W CB -0.033 29.516 29.460 0.148 0.000 1.131 36 W HN 0.118 nan 8.180 nan 0.000 0.530 37 E N 0.367 120.611 120.200 0.075 0.000 2.130 37 E HA -0.255 4.101 4.350 0.010 0.000 0.196 37 E C 1.748 178.210 176.600 -0.228 0.000 0.998 37 E CA 1.503 57.807 56.400 -0.160 0.000 0.806 37 E CB -0.149 29.570 29.700 0.032 0.000 0.738 37 E HN 0.187 nan 8.360 nan 0.000 0.459 38 K N 0.052 120.381 120.400 -0.118 0.000 2.487 38 K HA -0.019 4.307 4.320 0.010 0.000 0.192 38 K C 0.926 177.449 176.600 -0.128 0.000 1.027 38 K CA 0.398 56.627 56.287 -0.096 0.000 1.054 38 K CB 0.286 32.766 32.500 -0.033 0.000 0.824 38 K HN 0.300 nan 8.250 nan 0.000 0.510 39 Q N 0.631 120.308 119.800 -0.205 0.000 2.211 39 Q HA 0.216 4.561 4.340 0.010 0.000 0.231 39 Q C -0.328 175.520 176.000 -0.253 0.000 0.865 39 Q CA -0.333 55.358 55.803 -0.188 0.000 0.997 39 Q CB 0.876 29.532 28.738 -0.136 0.000 1.101 39 Q HN 0.133 nan 8.270 nan 0.000 0.468 40 A N 1.096 123.746 122.820 -0.283 0.000 2.409 40 A HA 0.332 4.657 4.320 0.010 0.000 0.262 40 A C 0.137 177.630 177.584 -0.151 0.000 1.113 40 A CA -0.367 51.512 52.037 -0.262 0.000 0.790 40 A CB 0.287 19.125 19.000 -0.270 0.000 1.046 40 A HN 0.399 nan 8.150 nan 0.000 0.496 41 L N 3.312 124.463 121.223 -0.120 0.000 2.473 41 L HA 0.109 4.455 4.340 0.010 0.000 0.268 41 L C -1.181 175.648 176.870 -0.068 0.000 1.215 41 L CA -1.358 53.436 54.840 -0.076 0.000 0.823 41 L CB 0.251 42.277 42.059 -0.055 0.000 1.099 41 L HN 0.546 nan 8.230 nan 0.000 0.483 42 P HA -0.160 nan 4.420 nan 0.000 0.217 42 P C 1.070 178.345 177.300 -0.041 0.000 1.151 42 P CA 1.283 64.357 63.100 -0.043 0.000 0.849 42 P CB 0.148 31.829 31.700 -0.032 0.000 0.787 43 G N -0.993 107.785 108.800 -0.037 0.000 3.314 43 G HA2 -0.023 3.943 3.960 0.010 0.000 0.238 43 G HA3 -0.023 3.943 3.960 0.010 0.000 0.238 43 G C -0.032 174.847 174.900 -0.035 0.000 1.184 43 G CA -0.089 44.992 45.100 -0.031 0.000 0.806 43 G HN 0.272 nan 8.290 nan 0.000 0.536 44 E N 0.821 120.990 120.200 -0.052 0.000 2.129 44 E HA 0.165 4.520 4.350 0.010 0.000 0.268 44 E C -0.677 175.878 176.600 -0.076 0.000 0.900 44 E CA -0.752 55.611 56.400 -0.061 0.000 0.755 44 E CB 0.519 30.168 29.700 -0.085 0.000 1.117 44 E HN -0.012 nan 8.360 nan 0.000 0.410 45 N N 4.433 123.104 118.700 -0.049 0.000 3.303 45 N HA 0.076 4.822 4.740 0.010 0.000 0.304 45 N C 0.447 175.934 175.510 -0.039 0.000 1.302 45 N CA 0.069 53.093 53.050 -0.042 0.000 1.213 45 N CB 0.035 38.510 38.487 -0.020 0.000 1.481 45 N HN 0.521 nan 8.380 nan 0.000 0.546 46 R N -0.069 120.365 120.500 -0.109 0.000 2.189 46 R HA -0.059 4.287 4.340 0.010 0.000 0.223 46 R C 1.695 177.986 176.300 -0.017 0.000 1.092 46 R CA 0.532 56.549 56.100 -0.139 0.000 0.989 46 R CB -0.022 29.946 30.300 -0.554 0.000 0.876 46 R HN 0.497 nan 8.270 nan 0.000 0.457 47 N N 1.304 119.982 118.700 -0.037 0.000 2.084 47 N HA -0.221 4.525 4.740 0.010 0.000 0.190 47 N C 1.689 177.201 175.510 0.004 0.000 1.030 47 N CA 1.438 54.483 53.050 -0.008 0.000 0.849 47 N CB 0.147 38.622 38.487 -0.020 0.000 1.012 47 N HN 0.106 nan 8.380 nan 0.000 0.423 48 E N 0.844 121.043 120.200 -0.001 0.000 2.106 48 E HA -0.009 4.347 4.350 0.010 0.000 0.192 48 E C 1.844 178.441 176.600 -0.004 0.000 0.984 48 E CA 1.293 57.690 56.400 -0.004 0.000 0.806 48 E CB -0.460 29.236 29.700 -0.007 0.000 0.750 48 E HN 0.423 nan 8.360 nan 0.000 0.458 49 A N 0.121 122.958 122.820 0.029 0.000 1.892 49 A HA -0.195 4.131 4.320 0.010 0.000 0.218 49 A C 2.491 180.044 177.584 -0.050 0.000 1.188 49 A CA 1.947 54.006 52.037 0.036 0.000 0.631 49 A CB -0.945 18.183 19.000 0.214 0.000 0.822 49 A HN 0.201 nan 8.150 nan 0.000 0.447 50 V N -0.248 119.677 119.914 0.018 0.000 2.343 50 V HA -0.230 3.896 4.120 0.010 0.000 0.247 50 V C 2.758 178.782 176.094 -0.116 0.000 1.051 50 V CA 2.250 64.517 62.300 -0.056 0.000 1.036 50 V CB -0.969 30.904 31.823 0.084 0.000 0.654 50 V HN 0.557 nan 8.190 nan 0.000 0.451 51 S N 0.193 115.854 115.700 -0.065 0.000 2.365 51 S HA -0.166 4.310 4.470 0.010 0.000 0.225 51 S C 1.907 176.463 174.600 -0.074 0.000 1.039 51 S CA 1.465 59.629 58.200 -0.061 0.000 1.033 51 S CB -0.359 62.824 63.200 -0.028 0.000 0.887 51 S HN 0.322 nan 8.310 nan 0.000 0.447 52 L N 0.913 122.087 121.223 -0.083 0.000 2.017 52 L HA -0.000 4.346 4.340 0.010 0.000 0.208 52 L C 2.199 178.985 176.870 -0.141 0.000 1.073 52 L CA 1.329 56.123 54.840 -0.077 0.000 0.745 52 L CB -1.638 40.378 42.059 -0.072 0.000 0.894 52 L HN 0.266 nan 8.230 nan 0.000 0.432 53 L N -0.173 120.862 121.223 -0.314 0.000 1.989 53 L HA -0.229 4.117 4.340 0.010 0.000 0.211 53 L C 2.542 179.226 176.870 -0.309 0.000 1.071 53 L CA 1.723 56.205 54.840 -0.597 0.000 0.749 53 L CB -0.984 40.237 42.059 -1.397 0.000 0.890 53 L HN 0.255 nan 8.230 nan 0.000 0.431 54 K N -0.831 119.462 120.400 -0.178 0.000 2.026 54 K HA -0.218 4.107 4.320 0.010 0.000 0.208 54 K C 2.057 178.700 176.600 0.072 0.000 1.048 54 K CA 1.499 57.777 56.287 -0.015 0.000 0.929 54 K CB -0.182 32.127 32.500 -0.318 0.000 0.713 54 K HN 0.338 nan 8.250 nan 0.000 0.439 55 E N 0.624 120.835 120.200 0.018 0.000 2.070 55 E HA -0.287 4.069 4.350 0.010 0.000 0.197 55 E C 2.153 178.772 176.600 0.031 0.000 1.004 55 E CA 1.563 57.994 56.400 0.052 0.000 0.805 55 E CB -0.155 29.610 29.700 0.108 0.000 0.744 55 E HN 0.398 nan 8.360 nan 0.000 0.451 56 C N 0.235 119.586 119.300 0.087 0.000 2.413 56 C HA -0.151 4.315 4.460 0.010 0.000 0.276 56 C C 2.672 177.664 174.990 0.003 0.000 1.236 56 C CA 1.070 60.156 59.018 0.113 0.000 1.735 56 C CB -1.158 26.634 27.740 0.086 0.000 2.031 56 C HN 0.588 nan 8.230 nan 0.000 0.474 57 L N 0.907 122.180 121.223 0.085 0.000 1.988 57 L HA 0.029 4.375 4.340 0.010 0.000 0.207 57 L C 2.326 179.198 176.870 0.003 0.000 1.071 57 L CA 1.987 56.880 54.840 0.088 0.000 0.744 57 L CB -0.862 41.368 42.059 0.285 0.000 0.893 57 L HN 0.408 nan 8.230 nan 0.000 0.433 58 I N 0.078 120.691 120.570 0.071 0.000 2.113 58 I HA -0.428 3.748 4.170 0.010 0.000 0.242 58 I C 1.538 177.538 176.117 -0.195 0.000 1.057 58 I CA 2.313 63.594 61.300 -0.031 0.000 1.314 58 I CB -0.430 37.595 38.000 0.042 0.000 1.022 58 I HN 0.450 nan 8.210 nan 0.000 0.408 59 N N 0.070 118.543 118.700 -0.379 0.000 2.398 59 N HA -0.029 4.717 4.740 0.010 0.000 0.188 59 N C -0.313 174.867 175.510 -0.551 0.000 1.122 59 N CA -0.033 52.630 53.050 -0.645 0.000 0.866 59 N CB 0.246 37.852 38.487 -1.470 0.000 0.970 59 N HN 0.160 nan 8.380 nan 0.000 0.462 60 Q N 0.163 119.769 119.800 -0.324 0.000 2.435 60 Q HA -0.206 4.139 4.340 0.010 0.000 0.312 60 Q C -0.879 175.076 176.000 -0.074 0.000 1.333 60 Q CA 0.748 56.457 55.803 -0.155 0.000 0.883 60 Q CB -1.782 26.897 28.738 -0.099 0.000 1.170 60 Q HN 0.344 nan 8.270 nan 0.000 0.443 61 F N 0.152 120.095 119.950 -0.011 0.000 2.490 61 F HA 0.018 4.550 4.527 0.010 0.000 0.336 61 F C 2.022 177.808 175.800 -0.023 0.000 1.178 61 F CA 0.169 58.157 58.000 -0.020 0.000 1.301 61 F CB 0.541 39.525 39.000 -0.026 0.000 1.175 61 F HN 0.117 nan 8.300 nan 0.000 0.593 62 S N -1.210 114.607 115.700 0.196 0.000 2.524 62 S HA 0.153 4.629 4.470 0.010 0.000 0.216 62 S C 0.059 174.681 174.600 0.037 0.000 0.987 62 S CA -0.184 58.063 58.200 0.080 0.000 0.909 62 S CB -0.453 62.770 63.200 0.039 0.000 0.781 62 S HN 0.647 nan 8.310 nan 0.000 0.521 63 E N 0.860 121.074 120.200 0.023 0.000 2.199 63 E HA 0.648 5.004 4.350 0.010 0.000 0.269 63 E C -1.588 175.010 176.600 -0.004 0.000 0.899 63 E CA -0.853 55.525 56.400 -0.037 0.000 0.772 63 E CB 2.102 31.727 29.700 -0.126 0.000 1.155 63 E HN 0.206 nan 8.360 nan 0.000 0.408 64 L N 1.878 123.096 121.223 -0.009 0.000 2.409 64 L HA 0.307 4.652 4.340 0.010 0.000 0.272 64 L C -1.536 175.319 176.870 -0.025 0.000 0.980 64 L CA -0.188 54.644 54.840 -0.013 0.000 0.826 64 L CB 1.761 43.811 42.059 -0.015 0.000 1.268 64 L HN 0.490 nan 8.230 nan 0.000 0.407 65 Q N 6.470 126.249 119.800 -0.036 0.000 2.327 65 Q HA 0.520 4.866 4.340 0.010 0.000 0.270 65 Q C -1.080 174.901 176.000 -0.030 0.000 1.022 65 Q CA -0.404 55.382 55.803 -0.030 0.000 0.773 65 Q CB 2.255 30.968 28.738 -0.042 0.000 1.251 65 Q HN 0.655 nan 8.270 nan 0.000 0.457 66 L N 2.662 123.872 121.223 -0.021 0.000 2.784 66 L HA 0.356 4.701 4.340 0.010 0.000 0.241 66 L C -0.559 176.313 176.870 0.002 0.000 1.352 66 L CA -0.547 54.285 54.840 -0.015 0.000 0.911 66 L CB 0.040 42.086 42.059 -0.022 0.000 1.227 66 L HN 0.481 nan 8.230 nan 0.000 0.501 67 N N 1.604 120.304 118.700 -0.001 0.000 2.524 67 N HA 0.301 5.047 4.740 0.010 0.000 0.283 67 N C 0.254 175.766 175.510 0.003 0.000 1.142 67 N CA -0.526 52.527 53.050 0.004 0.000 0.984 67 N CB 1.064 39.551 38.487 -0.000 0.000 1.155 67 N HN 0.234 nan 8.380 nan 0.000 0.467 68 R N 0.495 120.999 120.500 0.007 0.000 3.333 68 R HA -0.166 4.180 4.340 0.010 0.000 0.256 68 R C -0.044 176.258 176.300 0.004 0.000 1.010 68 R CA 0.353 56.456 56.100 0.004 0.000 0.680 68 R CB -1.914 28.386 30.300 -0.001 0.000 1.102 68 R HN 0.552 nan 8.270 nan 0.000 0.440 69 L N -0.561 120.669 121.223 0.011 0.000 2.906 69 L HA 0.184 4.529 4.340 0.010 0.000 0.255 69 L C 0.192 177.069 176.870 0.011 0.000 1.166 69 L CA -0.467 54.380 54.840 0.012 0.000 0.977 69 L CB 0.353 42.426 42.059 0.023 0.000 1.313 69 L HN 0.248 nan 8.230 nan 0.000 0.549 70 N N 0.316 119.024 118.700 0.012 0.000 2.721 70 N HA -0.181 4.565 4.740 0.010 0.000 0.249 70 N C -0.434 175.085 175.510 0.017 0.000 1.072 70 N CA 0.564 53.620 53.050 0.009 0.000 0.710 70 N CB -1.461 37.023 38.487 -0.005 0.000 0.993 70 N HN 0.073 nan 8.380 nan 0.000 0.547 71 L N 0.692 121.941 121.223 0.045 0.000 2.455 71 L HA 0.075 4.421 4.340 0.010 0.000 0.272 71 L C 1.738 178.654 176.870 0.078 0.000 1.174 71 L CA 0.639 55.531 54.840 0.086 0.000 0.869 71 L CB 0.739 42.889 42.059 0.151 0.000 1.130 71 L HN 0.367 nan 8.230 nan 0.000 0.474 72 S N -0.223 115.521 115.700 0.073 0.000 2.517 72 S HA 0.225 4.701 4.470 0.010 0.000 0.214 72 S C 0.564 175.234 174.600 0.117 0.000 0.991 72 S CA 0.227 58.466 58.200 0.065 0.000 0.906 72 S CB 0.111 63.326 63.200 0.025 0.000 0.789 72 S HN 0.694 nan 8.310 nan 0.000 0.513 73 S N -0.132 115.698 115.700 0.216 0.000 2.672 73 S HA 0.785 5.261 4.470 0.010 0.000 0.271 73 S C -1.675 173.170 174.600 0.409 0.000 1.171 73 S CA -0.872 57.497 58.200 0.282 0.000 0.817 73 S CB 0.854 64.246 63.200 0.320 0.000 1.150 73 S HN 0.093 nan 8.310 nan 0.000 0.478 74 L N 1.691 123.032 121.223 0.196 0.000 2.323 74 L HA 0.776 5.122 4.340 0.010 0.000 0.265 74 L C -2.340 174.253 176.870 -0.462 0.000 1.012 74 L CA -1.998 52.764 54.840 -0.130 0.000 0.820 74 L CB 1.365 43.355 42.059 -0.115 0.000 1.334 74 L HN 0.624 nan 8.230 nan 0.000 0.427 75 P HA 0.123 nan 4.420 nan 0.000 0.272 75 P C -0.434 176.745 177.300 -0.202 0.000 1.230 75 P CA -0.193 62.450 63.100 -0.761 0.000 0.788 75 P CB 0.882 32.222 31.700 -0.599 0.000 0.949 76 D N 0.219 120.583 120.400 -0.060 0.000 2.178 76 D HA -0.102 4.544 4.640 0.010 0.000 0.201 76 D C 0.108 176.440 176.300 0.052 0.000 0.980 76 D CA 1.614 55.617 54.000 0.005 0.000 0.842 76 D CB -0.375 40.434 40.800 0.015 0.000 0.948 76 D HN 0.488 nan 8.370 nan 0.000 0.472 77 N N -0.102 118.675 118.700 0.129 0.000 2.392 77 N HA 0.355 5.101 4.740 0.010 0.000 0.283 77 N C -1.138 174.658 175.510 0.477 0.000 1.003 77 N CA -0.582 52.614 53.050 0.242 0.000 0.892 77 N CB 1.777 40.343 38.487 0.132 0.000 1.193 77 N HN -0.148 nan 8.380 nan 0.000 0.487 78 L N 2.853 124.285 121.223 0.349 0.000 2.334 78 L HA 0.582 4.928 4.340 0.010 0.000 0.272 78 L C -2.091 174.953 176.870 0.289 0.000 1.020 78 L CA -2.516 52.499 54.840 0.291 0.000 0.812 78 L CB 0.655 42.779 42.059 0.108 0.000 1.264 78 L HN 0.429 nan 8.230 nan 0.000 0.439 79 P HA 0.011 nan 4.420 nan 0.000 0.258 79 P C -2.017 175.310 177.300 0.045 0.000 1.172 79 P CA -0.525 62.602 63.100 0.045 0.000 0.762 79 P CB -0.020 31.710 31.700 0.050 0.000 0.764 80 P HA -0.122 nan 4.420 nan 0.000 0.233 80 P C 0.860 178.188 177.300 0.046 0.000 1.167 80 P CA 1.110 64.253 63.100 0.071 0.000 0.770 80 P CB 0.195 31.958 31.700 0.105 0.000 0.837 81 Q N 0.657 120.473 119.800 0.027 0.000 2.282 81 Q HA 0.069 4.415 4.340 0.010 0.000 0.206 81 Q C 1.018 177.040 176.000 0.036 0.000 0.878 81 Q CA -0.176 55.643 55.803 0.027 0.000 0.944 81 Q CB -1.058 27.689 28.738 0.014 0.000 1.100 81 Q HN 0.343 nan 8.270 nan 0.000 0.509 82 I N -1.050 119.545 120.570 0.042 0.000 2.752 82 I HA 0.145 4.321 4.170 0.010 0.000 0.287 82 I C 0.570 176.714 176.117 0.045 0.000 1.188 82 I CA 0.210 61.538 61.300 0.047 0.000 1.427 82 I CB 0.971 38.999 38.000 0.046 0.000 1.365 82 I HN -0.194 nan 8.210 nan 0.000 0.585 83 T N 3.948 118.526 114.554 0.040 0.000 2.985 83 T HA 0.301 4.657 4.350 0.010 0.000 0.254 83 T C 0.088 174.821 174.700 0.055 0.000 1.021 83 T CA 0.076 62.200 62.100 0.041 0.000 0.957 83 T CB 0.108 68.991 68.868 0.025 0.000 1.047 83 T HN 0.446 nan 8.240 nan 0.000 0.511 84 V N 2.237 122.176 119.914 0.042 0.000 2.668 84 V HA 0.617 4.743 4.120 0.010 0.000 0.304 84 V C -1.489 174.650 176.094 0.074 0.000 1.071 84 V CA -1.032 61.302 62.300 0.057 0.000 0.894 84 V CB 2.059 33.817 31.823 -0.109 0.000 1.008 84 V HN 0.192 nan 8.190 nan 0.000 0.425 85 L N 4.382 125.695 121.223 0.149 0.000 2.376 85 L HA 0.662 5.008 4.340 0.010 0.000 0.275 85 L C -0.476 176.468 176.870 0.122 0.000 0.987 85 L CA 0.181 55.078 54.840 0.096 0.000 0.828 85 L CB 1.853 43.952 42.059 0.068 0.000 1.249 85 L HN 0.694 nan 8.230 nan 0.000 0.409 86 E N 6.098 126.343 120.200 0.075 0.000 2.155 86 E HA 0.424 4.780 4.350 0.010 0.000 0.264 86 E C -0.250 176.370 176.600 0.034 0.000 0.886 86 E CA -0.193 56.251 56.400 0.073 0.000 0.752 86 E CB 1.611 31.347 29.700 0.061 0.000 1.133 86 E HN 0.703 nan 8.360 nan 0.000 0.414 87 I N -0.201 120.389 120.570 0.033 0.000 3.241 87 I HA 0.264 4.440 4.170 0.010 0.000 0.333 87 I C 0.021 176.152 176.117 0.023 0.000 1.534 87 I CA -0.499 60.813 61.300 0.021 0.000 0.979 87 I CB 0.817 38.827 38.000 0.016 0.000 1.497 87 I HN 0.117 nan 8.210 nan 0.000 0.530 88 T N 2.045 116.615 114.554 0.025 0.000 2.930 88 T HA 0.114 4.470 4.350 0.010 0.000 0.306 88 T C 0.499 175.209 174.700 0.018 0.000 1.045 88 T CA 0.774 62.888 62.100 0.023 0.000 1.134 88 T CB 0.477 69.361 68.868 0.026 0.000 0.961 88 T HN 0.591 nan 8.240 nan 0.000 0.545 89 Q N 1.113 120.922 119.800 0.016 0.000 2.470 89 Q HA -0.189 4.157 4.340 0.010 0.000 0.294 89 Q C -0.018 175.991 176.000 0.014 0.000 1.356 89 Q CA 0.329 56.139 55.803 0.012 0.000 0.805 89 Q CB -1.181 27.562 28.738 0.008 0.000 1.157 89 Q HN 0.618 nan 8.270 nan 0.000 0.431 90 N N -0.476 118.236 118.700 0.019 0.000 3.061 90 N HA 0.674 5.420 4.740 0.010 0.000 0.346 90 N C -0.129 175.394 175.510 0.023 0.000 1.392 90 N CA 0.029 53.094 53.050 0.025 0.000 0.762 90 N CB 0.709 39.219 38.487 0.039 0.000 1.367 90 N HN 0.127 nan 8.380 nan 0.000 0.607 91 A N 0.600 123.438 122.820 0.029 0.000 2.793 91 A HA 0.365 4.691 4.320 0.010 0.000 0.301 91 A C -0.013 177.591 177.584 0.034 0.000 1.172 91 A CA -0.343 51.709 52.037 0.025 0.000 0.973 91 A CB -0.709 18.302 19.000 0.019 0.000 1.164 91 A HN 0.402 nan 8.150 nan 0.000 0.542 92 L N 0.327 121.573 121.223 0.039 0.000 2.462 92 L HA 0.182 4.528 4.340 0.010 0.000 0.272 92 L C 1.125 178.015 176.870 0.034 0.000 1.166 92 L CA 0.039 54.906 54.840 0.046 0.000 0.880 92 L CB 0.723 42.809 42.059 0.045 0.000 1.142 92 L HN 0.440 nan 8.230 nan 0.000 0.473 93 I N 0.991 121.584 120.570 0.037 0.000 3.081 93 I HA -0.006 4.170 4.170 0.010 0.000 0.274 93 I C 0.873 177.005 176.117 0.026 0.000 1.178 93 I CA 0.464 61.781 61.300 0.028 0.000 1.460 93 I CB 0.407 38.424 38.000 0.029 0.000 1.137 93 I HN 0.771 nan 8.210 nan 0.000 0.443 94 S N -0.062 115.657 115.700 0.033 0.000 2.625 94 S HA 0.654 5.130 4.470 0.010 0.000 0.271 94 S C -0.970 173.648 174.600 0.030 0.000 1.161 94 S CA -0.916 57.300 58.200 0.027 0.000 0.820 94 S CB 1.867 65.082 63.200 0.026 0.000 1.137 94 S HN -0.002 nan 8.310 nan 0.000 0.470 95 L N 1.504 122.741 121.223 0.022 0.000 2.330 95 L HA 0.675 5.021 4.340 0.010 0.000 0.271 95 L C -2.085 174.795 176.870 0.017 0.000 1.013 95 L CA -2.254 52.597 54.840 0.018 0.000 0.816 95 L CB 1.604 43.671 42.059 0.013 0.000 1.287 95 L HN 0.590 nan 8.230 nan 0.000 0.435 96 P HA 0.063 nan 4.420 nan 0.000 0.279 96 P C -0.798 176.514 177.300 0.021 0.000 1.282 96 P CA -0.628 62.481 63.100 0.015 0.000 0.788 96 P CB 0.543 32.246 31.700 0.005 0.000 1.139 97 E N 0.569 120.784 120.200 0.025 0.000 2.606 97 E HA 0.009 4.365 4.350 0.010 0.000 0.248 97 E C -0.428 176.195 176.600 0.038 0.000 1.005 97 E CA -0.012 56.405 56.400 0.029 0.000 0.946 97 E CB -0.138 29.580 29.700 0.030 0.000 0.928 97 E HN 0.266 nan 8.360 nan 0.000 0.494 98 L N 6.390 127.633 121.223 0.034 0.000 2.417 98 L HA 0.238 4.584 4.340 0.010 0.000 0.268 98 L C -1.842 175.056 176.870 0.047 0.000 1.158 98 L CA -2.021 52.842 54.840 0.038 0.000 0.819 98 L CB 0.295 42.373 42.059 0.032 0.000 1.112 98 L HN 0.514 nan 8.230 nan 0.000 0.458 99 P HA 0.013 nan 4.420 nan 0.000 0.268 99 P C 0.021 177.351 177.300 0.049 0.000 1.205 99 P CA -0.109 63.027 63.100 0.059 0.000 0.771 99 P CB 0.850 32.587 31.700 0.061 0.000 0.858 100 A N 2.202 125.050 122.820 0.047 0.000 2.070 100 A HA -0.096 4.229 4.320 0.010 0.000 0.220 100 A C 1.684 179.291 177.584 0.037 0.000 1.159 100 A CA 1.555 53.615 52.037 0.039 0.000 0.656 100 A CB -0.729 18.292 19.000 0.036 0.000 0.800 100 A HN 0.491 nan 8.150 nan 0.000 0.453 101 S N -0.362 115.362 115.700 0.040 0.000 2.593 101 S HA 0.292 4.768 4.470 0.010 0.000 0.236 101 S C 0.255 174.883 174.600 0.047 0.000 0.991 101 S CA -0.569 57.654 58.200 0.039 0.000 0.963 101 S CB -0.089 63.132 63.200 0.035 0.000 0.865 101 S HN 0.463 nan 8.310 nan 0.000 0.488 102 L N 2.771 124.025 121.223 0.052 0.000 2.540 102 L HA 0.071 4.416 4.340 0.010 0.000 0.276 102 L C 0.832 177.748 176.870 0.077 0.000 1.212 102 L CA 1.183 56.063 54.840 0.066 0.000 0.893 102 L CB 0.470 42.567 42.059 0.063 0.000 1.138 102 L HN 0.364 nan 8.230 nan 0.000 0.491 103 E N 4.456 124.719 120.200 0.104 0.000 2.465 103 E HA 0.019 4.375 4.350 0.010 0.000 0.209 103 E C -0.931 175.792 176.600 0.204 0.000 0.951 103 E CA 0.071 56.546 56.400 0.126 0.000 0.997 103 E CB 0.952 30.715 29.700 0.105 0.000 1.025 103 E HN 0.552 nan 8.360 nan 0.000 0.500 104 Y N 0.990 121.314 120.300 0.039 0.000 2.362 104 Y HA 0.385 4.941 4.550 0.010 0.000 0.326 104 Y C -1.827 174.101 175.900 0.046 0.000 1.083 104 Y CA -0.778 57.347 58.100 0.041 0.000 1.073 104 Y CB 1.219 39.641 38.460 -0.064 0.000 1.211 104 Y HN -0.129 nan 8.280 nan 0.000 0.433 105 L N 6.694 127.865 121.223 -0.087 0.000 2.372 105 L HA 0.442 4.788 4.340 0.010 0.000 0.274 105 L C -1.654 175.142 176.870 -0.123 0.000 0.988 105 L CA -0.475 54.346 54.840 -0.032 0.000 0.833 105 L CB 1.266 43.327 42.059 0.003 0.000 1.236 105 L HN 0.696 nan 8.230 nan 0.000 0.410 106 D N 4.206 124.578 120.400 -0.047 0.000 2.441 106 D HA 0.479 5.125 4.640 0.010 0.000 0.231 106 D C -0.041 176.273 176.300 0.023 0.000 1.073 106 D CA -0.111 53.883 54.000 -0.011 0.000 0.850 106 D CB 2.024 42.854 40.800 0.050 0.000 1.062 106 D HN 0.584 nan 8.370 nan 0.000 0.524 107 A N 3.264 126.090 122.820 0.011 0.000 2.631 107 A HA 0.252 4.578 4.320 0.010 0.000 0.294 107 A C 0.872 178.462 177.584 0.010 0.000 1.156 107 A CA -0.490 51.554 52.037 0.012 0.000 0.963 107 A CB -0.753 18.251 19.000 0.006 0.000 1.202 107 A HN 0.694 nan 8.150 nan 0.000 0.523 108 C N -1.155 118.154 119.300 0.015 0.000 2.656 108 C HA 0.575 5.041 4.460 0.010 0.000 0.391 108 C C 0.373 175.370 174.990 0.011 0.000 1.300 108 C CA 0.155 59.179 59.018 0.011 0.000 2.302 108 C CB -0.200 27.552 27.740 0.019 0.000 2.655 108 C HN 0.709 nan 8.230 nan 0.000 0.656 109 D N 2.063 122.467 120.400 0.006 0.000 2.718 109 D HA -0.125 4.521 4.640 0.010 0.000 0.242 109 D C -0.371 175.934 176.300 0.008 0.000 1.123 109 D CA 1.421 55.425 54.000 0.006 0.000 0.690 109 D CB -1.349 39.455 40.800 0.008 0.000 1.059 109 D HN 0.902 nan 8.370 nan 0.000 0.429 110 N N -0.541 118.163 118.700 0.007 0.000 3.470 110 N HA 0.604 5.350 4.740 0.010 0.000 0.361 110 N C 0.203 175.718 175.510 0.008 0.000 1.536 110 N CA -0.804 52.253 53.050 0.011 0.000 0.642 110 N CB 0.722 39.218 38.487 0.015 0.000 2.002 110 N HN -0.033 nan 8.380 nan 0.000 0.620 111 R N 0.022 120.528 120.500 0.010 0.000 2.668 111 R HA 0.379 4.725 4.340 0.010 0.000 0.435 111 R C -0.760 175.544 176.300 0.007 0.000 1.059 111 R CA -0.252 55.853 56.100 0.007 0.000 1.073 111 R CB -0.009 30.297 30.300 0.010 0.000 1.401 111 R HN 0.277 nan 8.270 nan 0.000 0.590 112 L N 1.780 123.006 121.223 0.005 0.000 2.559 112 L HA -0.059 4.287 4.340 0.010 0.000 0.274 112 L C 1.482 178.351 176.870 -0.000 0.000 1.205 112 L CA 0.395 55.237 54.840 0.004 0.000 0.907 112 L CB 0.757 42.816 42.059 0.001 0.000 1.153 112 L HN 0.317 nan 8.230 nan 0.000 0.490 113 S N -0.169 115.533 115.700 0.003 0.000 2.497 113 S HA 0.103 4.578 4.470 0.010 0.000 0.218 113 S C 0.636 175.234 174.600 -0.002 0.000 1.023 113 S CA 0.253 58.453 58.200 -0.000 0.000 0.913 113 S CB 0.352 63.554 63.200 0.004 0.000 0.800 113 S HN 0.763 nan 8.310 nan 0.000 0.505 114 T N -0.698 113.856 114.554 -0.000 0.000 2.841 114 T HA 0.732 5.088 4.350 0.010 0.000 0.296 114 T C -1.136 173.563 174.700 -0.002 0.000 1.166 114 T CA -0.988 61.110 62.100 -0.002 0.000 1.007 114 T CB 1.306 70.175 68.868 0.001 0.000 1.253 114 T HN 0.182 nan 8.240 nan 0.000 0.511 115 L N 1.551 122.771 121.223 -0.005 0.000 2.341 115 L HA 0.664 5.010 4.340 0.010 0.000 0.267 115 L C -2.025 174.845 176.870 -0.000 0.000 1.009 115 L CA -2.338 52.500 54.840 -0.004 0.000 0.819 115 L CB 2.437 44.488 42.059 -0.012 0.000 1.323 115 L HN 0.651 nan 8.230 nan 0.000 0.425 116 P HA 0.112 nan 4.420 nan 0.000 0.279 116 P C -0.722 176.581 177.300 0.005 0.000 1.276 116 P CA -0.615 62.489 63.100 0.007 0.000 0.801 116 P CB 0.685 32.392 31.700 0.012 0.000 1.127 117 E N 0.289 120.493 120.200 0.007 0.000 2.608 117 E HA -0.027 4.329 4.350 0.010 0.000 0.259 117 E C -0.568 176.037 176.600 0.008 0.000 0.951 117 E CA 0.132 56.535 56.400 0.007 0.000 0.945 117 E CB 0.044 29.750 29.700 0.009 0.000 0.916 117 E HN 0.279 nan 8.360 nan 0.000 0.477 118 L N 7.584 128.810 121.223 0.005 0.000 2.265 118 L HA 0.340 4.685 4.340 0.010 0.000 0.288 118 L C -1.816 175.062 176.870 0.013 0.000 1.058 118 L CA -2.160 52.684 54.840 0.008 0.000 0.809 118 L CB 0.847 42.906 42.059 -0.000 0.000 1.179 118 L HN 0.470 nan 8.230 nan 0.000 0.429 119 P HA -0.025 nan 4.420 nan 0.000 0.266 119 P C 0.402 177.716 177.300 0.023 0.000 1.195 119 P CA -0.151 62.963 63.100 0.024 0.000 0.768 119 P CB 1.045 32.764 31.700 0.032 0.000 0.838 120 A N 3.009 125.842 122.820 0.021 0.000 2.076 120 A HA -0.162 4.163 4.320 0.010 0.000 0.220 120 A C 1.983 179.582 177.584 0.025 0.000 1.160 120 A CA 1.928 53.977 52.037 0.020 0.000 0.653 120 A CB -1.270 17.741 19.000 0.017 0.000 0.801 120 A HN 0.639 nan 8.150 nan 0.000 0.455 121 S N -0.691 115.028 115.700 0.031 0.000 2.527 121 S HA 0.217 4.692 4.470 0.010 0.000 0.222 121 S C 0.632 175.261 174.600 0.048 0.000 0.985 121 S CA -0.329 57.893 58.200 0.037 0.000 0.921 121 S CB -0.542 62.681 63.200 0.039 0.000 0.772 121 S HN 0.416 nan 8.310 nan 0.000 0.529 122 L N 2.055 123.306 121.223 0.047 0.000 2.667 122 L HA 0.034 4.379 4.340 0.010 0.000 0.278 122 L C 1.219 178.128 176.870 0.066 0.000 1.217 122 L CA 0.524 55.399 54.840 0.058 0.000 0.935 122 L CB 0.504 42.585 42.059 0.037 0.000 1.193 122 L HN 0.324 nan 8.230 nan 0.000 0.493 123 K N 1.820 122.283 120.400 0.105 0.000 2.313 123 K HA 0.090 4.415 4.320 0.010 0.000 0.197 123 K C 0.239 176.938 176.600 0.165 0.000 1.061 123 K CA 0.205 56.565 56.287 0.122 0.000 0.980 123 K CB 0.413 32.996 32.500 0.139 0.000 0.888 123 K HN 0.444 nan 8.250 nan 0.000 0.502 124 H N 0.573 119.670 119.070 0.046 0.000 2.840 124 H HA 0.270 4.832 4.556 0.010 0.000 0.340 124 H C -1.897 173.379 175.328 -0.087 0.000 1.004 124 H CA -0.553 55.504 56.048 0.016 0.000 1.288 124 H CB 1.028 30.751 29.762 -0.064 0.000 1.607 124 H HN -0.046 nan 8.280 nan 0.000 0.522 125 L N 5.615 126.762 121.223 -0.127 0.000 2.377 125 L HA 0.282 4.628 4.340 0.010 0.000 0.270 125 L C -1.170 175.606 176.870 -0.157 0.000 0.991 125 L CA -0.465 54.313 54.840 -0.103 0.000 0.851 125 L CB 1.330 43.327 42.059 -0.103 0.000 1.218 125 L HN 0.614 nan 8.230 nan 0.000 0.420 126 D N 3.825 124.190 120.400 -0.057 0.000 2.344 126 D HA 0.272 4.917 4.640 0.010 0.000 0.239 126 D C -0.408 175.878 176.300 -0.023 0.000 1.064 126 D CA -0.072 53.920 54.000 -0.013 0.000 0.829 126 D CB 2.324 43.203 40.800 0.132 0.000 1.129 126 D HN 0.289 nan 8.370 nan 0.000 0.506 127 V N 3.743 123.630 119.914 -0.045 0.000 3.265 127 V HA 0.067 4.193 4.120 0.010 0.000 0.346 127 V C -0.172 175.900 176.094 -0.037 0.000 1.447 127 V CA -0.415 61.862 62.300 -0.039 0.000 1.179 127 V CB 0.413 32.205 31.823 -0.052 0.000 1.103 127 V HN 0.552 nan 8.190 nan 0.000 0.530 128 D N 1.820 122.202 120.400 -0.029 0.000 2.548 128 D HA -0.033 4.613 4.640 0.010 0.000 0.231 128 D C 0.673 176.963 176.300 -0.017 0.000 1.142 128 D CA 1.279 55.264 54.000 -0.025 0.000 0.866 128 D CB 0.238 41.034 40.800 -0.007 0.000 1.190 128 D HN 0.410 nan 8.370 nan 0.000 0.469 129 N N 1.961 120.649 118.700 -0.020 0.000 2.699 129 N HA -0.219 4.527 4.740 0.010 0.000 0.257 129 N C -1.490 174.013 175.510 -0.011 0.000 1.077 129 N CA 0.836 53.878 53.050 -0.014 0.000 0.702 129 N CB -1.253 37.230 38.487 -0.007 0.000 0.886 129 N HN 0.608 nan 8.380 nan 0.000 0.549 130 N N -0.385 118.306 118.700 -0.015 0.000 3.439 130 N HA 0.427 5.173 4.740 0.010 0.000 0.343 130 N C -0.711 174.791 175.510 -0.013 0.000 1.597 130 N CA -0.681 52.362 53.050 -0.012 0.000 0.733 130 N CB 0.450 38.929 38.487 -0.013 0.000 1.973 130 N HN 0.123 nan 8.380 nan 0.000 0.646 131 Q N 0.829 120.622 119.800 -0.011 0.000 2.263 131 Q HA 0.339 4.685 4.340 0.010 0.000 0.337 131 Q C -0.946 175.045 176.000 -0.015 0.000 0.906 131 Q CA -0.078 55.718 55.803 -0.012 0.000 1.124 131 Q CB 0.302 29.036 28.738 -0.006 0.000 1.255 131 Q HN 0.403 nan 8.270 nan 0.000 0.435 132 L N 2.011 123.221 121.223 -0.022 0.000 2.319 132 L HA 0.229 4.575 4.340 0.010 0.000 0.280 132 L C 1.018 177.870 176.870 -0.030 0.000 1.099 132 L CA -0.086 54.739 54.840 -0.026 0.000 0.828 132 L CB 0.703 42.742 42.059 -0.033 0.000 1.150 132 L HN 0.172 nan 8.230 nan 0.000 0.442 136 P HA 0.295 nan 4.420 nan 0.000 0.277 136 P C -0.317 176.971 177.300 -0.021 0.000 1.276 136 P CA -0.285 62.804 63.100 -0.019 0.000 0.788 136 P CB 0.333 32.025 31.700 -0.014 0.000 1.114 137 E N 0.340 120.532 120.200 -0.013 0.000 2.529 137 E HA 0.106 4.461 4.350 0.010 0.000 0.259 137 E C -0.168 176.422 176.600 -0.016 0.000 0.966 137 E CA 0.136 56.528 56.400 -0.012 0.000 0.937 137 E CB -0.784 28.913 29.700 -0.005 0.000 0.923 137 E HN 0.417 nan 8.360 nan 0.000 0.468 138 L N 4.863 126.073 121.223 -0.020 0.000 2.257 138 L HA 0.383 4.728 4.340 0.010 0.000 0.290 138 L C -1.804 175.057 176.870 -0.015 0.000 1.044 138 L CA -1.927 52.898 54.840 -0.025 0.000 0.810 138 L CB 1.394 43.430 42.059 -0.038 0.000 1.193 138 L HN 0.562 nan 8.230 nan 0.000 0.425 139 P HA 0.034 nan 4.420 nan 0.000 0.270 139 P C 0.401 177.701 177.300 -0.000 0.000 1.223 139 P CA -0.320 62.780 63.100 -0.001 0.000 0.785 139 P CB 1.132 32.835 31.700 0.005 0.000 0.923 140 A N 1.827 124.650 122.820 0.004 0.000 1.969 140 A HA -0.089 4.236 4.320 0.010 0.000 0.218 140 A C 2.026 179.615 177.584 0.009 0.000 1.169 140 A CA 1.216 53.256 52.037 0.005 0.000 0.635 140 A CB -1.089 17.916 19.000 0.007 0.000 0.810 140 A HN 0.532 nan 8.150 nan 0.000 0.445 141 L N -0.274 120.957 121.223 0.014 0.000 2.611 141 L HA 0.216 4.562 4.340 0.010 0.000 0.229 141 L C 0.108 176.994 176.870 0.026 0.000 1.137 141 L CA -0.395 54.458 54.840 0.021 0.000 0.901 141 L CB -0.235 41.840 42.059 0.027 0.000 1.098 141 L HN 0.250 nan 8.230 nan 0.000 0.456 142 L N 0.831 122.063 121.223 0.015 0.000 2.513 142 L HA -0.041 4.305 4.340 0.010 0.000 0.272 142 L C 1.114 177.993 176.870 0.014 0.000 1.187 142 L CA 0.497 55.344 54.840 0.012 0.000 0.895 142 L CB 0.831 42.880 42.059 -0.017 0.000 1.147 142 L HN 0.248 nan 8.230 nan 0.000 0.483 143 E N 2.624 122.850 120.200 0.042 0.000 2.399 143 E HA 0.034 4.390 4.350 0.010 0.000 0.205 143 E C -0.919 175.731 176.600 0.083 0.000 0.906 143 E CA 0.036 56.470 56.400 0.058 0.000 0.998 143 E CB 0.873 30.623 29.700 0.082 0.000 1.002 143 E HN 0.486 nan 8.360 nan 0.000 0.501 144 Y N 0.656 120.889 120.300 -0.111 0.000 2.386 144 Y HA 0.463 5.019 4.550 0.010 0.000 0.334 144 Y C -1.619 174.111 175.900 -0.282 0.000 1.002 144 Y CA -0.838 57.136 58.100 -0.211 0.000 1.068 144 Y CB 1.028 39.310 38.460 -0.296 0.000 1.203 144 Y HN -0.215 nan 8.280 nan 0.000 0.443 145 I N 5.946 126.079 120.570 -0.728 0.000 2.447 145 I HA 0.324 4.500 4.170 0.010 0.000 0.287 145 I C -1.170 174.471 176.117 -0.794 0.000 1.023 145 I CA -0.666 60.266 61.300 -0.614 0.000 1.083 145 I CB 2.013 39.818 38.000 -0.326 0.000 1.245 145 I HN 0.652 nan 8.210 nan 0.000 0.434 146 N N 4.547 122.848 118.700 -0.666 0.000 2.443 146 N HA 0.663 5.409 4.740 0.010 0.000 0.269 146 N C -0.337 175.039 175.510 -0.222 0.000 0.985 146 N CA -0.269 52.528 53.050 -0.422 0.000 0.921 146 N CB 1.506 39.833 38.487 -0.267 0.000 1.195 146 N HN 0.745 nan 8.380 nan 0.000 0.492 147 A N 2.837 125.548 122.820 -0.181 0.000 2.674 147 A HA 0.238 4.564 4.320 0.010 0.000 0.286 147 A C -0.585 176.942 177.584 -0.096 0.000 0.980 147 A CA -0.550 51.414 52.037 -0.121 0.000 1.028 147 A CB -0.053 18.875 19.000 -0.120 0.000 1.199 147 A HN 0.645 nan 8.150 nan 0.000 0.499 148 D N 1.837 122.184 120.400 -0.087 0.000 2.419 148 D HA 0.034 4.680 4.640 0.010 0.000 0.236 148 D C 0.208 176.479 176.300 -0.048 0.000 1.165 148 D CA 0.939 54.901 54.000 -0.063 0.000 0.882 148 D CB 0.237 41.008 40.800 -0.048 0.000 1.201 148 D HN 0.388 nan 8.370 nan 0.000 0.443 149 N N 1.596 120.271 118.700 -0.041 0.000 2.671 149 N HA -0.190 4.556 4.740 0.010 0.000 0.261 149 N C -0.554 174.937 175.510 -0.032 0.000 1.053 149 N CA 0.565 53.596 53.050 -0.032 0.000 0.732 149 N CB -0.801 37.672 38.487 -0.024 0.000 0.887 149 N HN 0.469 nan 8.380 nan 0.000 0.546 150 N N 0.309 118.986 118.700 -0.038 0.000 3.455 150 N HA 0.295 5.041 4.740 0.010 0.000 0.358 150 N C 0.048 175.537 175.510 -0.035 0.000 1.580 150 N CA -0.392 52.636 53.050 -0.037 0.000 0.692 150 N CB 0.553 39.013 38.487 -0.045 0.000 1.978 150 N HN 0.160 nan 8.380 nan 0.000 0.651 151 Q N 0.795 120.574 119.800 -0.036 0.000 2.129 151 Q HA 0.418 4.764 4.340 0.010 0.000 0.274 151 Q C -0.670 175.304 176.000 -0.043 0.000 0.854 151 Q CA -0.153 55.630 55.803 -0.034 0.000 1.123 151 Q CB 0.530 29.254 28.738 -0.024 0.000 1.226 151 Q HN 0.318 nan 8.270 nan 0.000 0.454 152 L N 1.500 122.688 121.223 -0.057 0.000 2.453 152 L HA 0.194 4.539 4.340 0.010 0.000 0.272 152 L C 0.904 177.723 176.870 -0.085 0.000 1.182 152 L CA 0.197 54.992 54.840 -0.074 0.000 0.858 152 L CB 0.133 42.135 42.059 -0.094 0.000 1.120 152 L HN 0.210 nan 8.230 nan 0.000 0.474 156 P HA 0.251 nan 4.420 nan 0.000 0.275 156 P C -0.688 176.595 177.300 -0.028 0.000 1.266 156 P CA -0.584 62.495 63.100 -0.035 0.000 0.793 156 P CB 0.461 32.141 31.700 -0.032 0.000 1.074 157 E N 0.556 120.751 120.200 -0.008 0.000 2.558 157 E HA -0.022 4.333 4.350 0.010 0.000 0.255 157 E C -0.660 175.930 176.600 -0.016 0.000 0.968 157 E CA -0.010 56.388 56.400 -0.003 0.000 0.939 157 E CB -0.056 29.648 29.700 0.006 0.000 0.921 157 E HN 0.257 nan 8.360 nan 0.000 0.477 158 L N 7.327 128.539 121.223 -0.019 0.000 2.349 158 L HA 0.334 4.680 4.340 0.010 0.000 0.275 158 L C -1.679 175.179 176.870 -0.021 0.000 1.115 158 L CA -2.067 52.755 54.840 -0.030 0.000 0.820 158 L CB 0.557 42.595 42.059 -0.036 0.000 1.135 158 L HN 0.552 nan 8.230 nan 0.000 0.445 159 P HA -0.031 nan 4.420 nan 0.000 0.269 159 P C 0.334 177.628 177.300 -0.010 0.000 1.215 159 P CA -0.237 62.854 63.100 -0.015 0.000 0.780 159 P CB 0.844 32.534 31.700 -0.016 0.000 0.898 160 T N -0.448 114.104 114.554 -0.003 0.000 3.118 160 T HA 0.026 4.382 4.350 0.010 0.000 0.260 160 T C 0.976 175.678 174.700 0.002 0.000 1.139 160 T CA 0.958 63.058 62.100 0.001 0.000 1.085 160 T CB -0.375 68.495 68.868 0.005 0.000 0.934 160 T HN 0.325 nan 8.240 nan 0.000 0.518 161 S N 0.779 116.480 115.700 0.001 0.000 2.754 161 S HA 0.379 4.855 4.470 0.010 0.000 0.247 161 S C -0.263 174.338 174.600 0.002 0.000 1.031 161 S CA -0.596 57.607 58.200 0.005 0.000 1.014 161 S CB 0.172 63.379 63.200 0.011 0.000 0.918 161 S HN 0.399 nan 8.310 nan 0.000 0.519 162 L N 2.618 123.835 121.223 -0.010 0.000 2.499 162 L HA 0.200 4.545 4.340 0.010 0.000 0.273 162 L C 0.910 177.768 176.870 -0.021 0.000 1.195 162 L CA 1.120 55.947 54.840 -0.023 0.000 0.882 162 L CB 0.401 42.432 42.059 -0.046 0.000 1.133 162 L HN 0.164 nan 8.230 nan 0.000 0.483 163 E N 2.848 123.042 120.200 -0.009 0.000 2.290 163 E HA 0.196 4.552 4.350 0.010 0.000 0.199 163 E C -0.682 175.907 176.600 -0.019 0.000 0.912 163 E CA 0.195 56.594 56.400 -0.002 0.000 0.924 163 E CB 0.755 30.471 29.700 0.027 0.000 0.901 163 E HN 0.431 nan 8.360 nan 0.000 0.487 164 V N 2.184 122.084 119.914 -0.023 0.000 2.623 164 V HA 0.295 4.420 4.120 0.010 0.000 0.304 164 V C -1.144 174.830 176.094 -0.199 0.000 1.054 164 V CA -0.679 61.587 62.300 -0.057 0.000 0.882 164 V CB 2.544 34.425 31.823 0.096 0.000 1.002 164 V HN 0.138 nan 8.190 nan 0.000 0.424 165 L N 4.288 125.386 121.223 -0.208 0.000 2.377 165 L HA 0.630 4.976 4.340 0.010 0.000 0.270 165 L C -0.474 176.258 176.870 -0.231 0.000 0.991 165 L CA 0.124 54.812 54.840 -0.253 0.000 0.851 165 L CB 1.731 43.680 42.059 -0.183 0.000 1.218 165 L HN 0.737 nan 8.230 nan 0.000 0.420 166 S N 3.456 118.977 115.700 -0.298 0.000 2.449 166 S HA 0.554 5.030 4.470 0.010 0.000 0.310 166 S C -0.173 174.315 174.600 -0.186 0.000 1.096 166 S CA -0.323 57.753 58.200 -0.206 0.000 1.095 166 S CB 1.622 64.711 63.200 -0.185 0.000 1.007 166 S HN 0.537 nan 8.310 nan 0.000 0.474 167 V N 6.164 126.001 119.914 -0.128 0.000 3.399 167 V HA 0.226 4.352 4.120 0.010 0.000 0.357 167 V C 0.125 176.170 176.094 -0.083 0.000 1.480 167 V CA -0.473 61.758 62.300 -0.116 0.000 1.263 167 V CB -0.059 31.689 31.823 -0.125 0.000 1.103 167 V HN 0.918 nan 8.190 nan 0.000 0.533 168 R N 0.691 121.150 120.500 -0.068 0.000 2.784 168 R HA 0.188 4.534 4.340 0.010 0.000 0.266 168 R C 0.839 177.112 176.300 -0.044 0.000 1.044 168 R CA 0.609 56.681 56.100 -0.047 0.000 1.151 168 R CB -0.103 30.176 30.300 -0.035 0.000 1.037 168 R HN 0.374 nan 8.270 nan 0.000 0.478 169 N N 0.692 119.371 118.700 -0.034 0.000 2.714 169 N HA -0.245 4.501 4.740 0.010 0.000 0.253 169 N C -1.008 174.479 175.510 -0.037 0.000 1.024 169 N CA 0.242 53.274 53.050 -0.031 0.000 0.726 169 N CB -0.315 38.157 38.487 -0.025 0.000 0.908 169 N HN 0.772 nan 8.380 nan 0.000 0.542 170 N N 0.060 118.733 118.700 -0.045 0.000 3.254 170 N HA 0.268 5.013 4.740 0.010 0.000 0.344 170 N C -0.307 175.176 175.510 -0.046 0.000 1.417 170 N CA -0.246 52.774 53.050 -0.050 0.000 0.646 170 N CB 0.472 38.919 38.487 -0.068 0.000 1.493 170 N HN 0.277 nan 8.380 nan 0.000 0.547 171 Q N 0.880 120.647 119.800 -0.056 0.000 2.248 171 Q HA 0.364 4.709 4.340 0.010 0.000 0.324 171 Q C -1.048 174.911 176.000 -0.067 0.000 0.867 171 Q CA -0.075 55.699 55.803 -0.049 0.000 1.101 171 Q CB 0.643 29.359 28.738 -0.036 0.000 1.328 171 Q HN 0.360 nan 8.270 nan 0.000 0.408 172 L N 0.451 121.620 121.223 -0.090 0.000 2.395 172 L HA 0.300 4.646 4.340 0.010 0.000 0.269 172 L C 1.344 178.161 176.870 -0.089 0.000 1.133 172 L CA 0.251 55.008 54.840 -0.138 0.000 0.812 172 L CB 0.986 42.940 42.059 -0.176 0.000 1.125 172 L HN 0.207 nan 8.230 nan 0.000 0.452 173 T N -1.700 112.817 114.554 -0.062 0.000 3.111 173 T HA 0.356 4.712 4.350 0.010 0.000 0.284 173 T C -0.243 174.567 174.700 0.184 0.000 0.983 173 T CA -0.284 61.840 62.100 0.040 0.000 0.900 173 T CB -0.130 68.778 68.868 0.067 0.000 1.132 173 T HN 0.406 nan 8.240 nan 0.000 0.531 174 F N -0.358 119.551 119.950 -0.069 0.000 2.704 174 F HA 0.657 5.190 4.527 0.010 0.000 0.312 174 F C -2.335 173.442 175.800 -0.040 0.000 1.108 174 F CA -1.722 56.243 58.000 -0.059 0.000 1.005 174 F CB 0.654 39.613 39.000 -0.068 0.000 1.277 174 F HN -0.091 nan 8.300 nan 0.000 0.445 175 L N 3.497 124.727 121.223 0.011 0.000 2.352 175 L HA 0.712 5.058 4.340 0.010 0.000 0.269 175 L C -1.952 174.968 176.870 0.083 0.000 1.034 175 L CA -1.882 52.927 54.840 -0.052 0.000 0.806 175 L CB 1.348 43.408 42.059 0.001 0.000 1.244 175 L HN 0.563 nan 8.230 nan 0.000 0.447 176 P HA 0.111 nan 4.420 nan 0.000 0.282 176 P C -0.901 176.436 177.300 0.063 0.000 1.287 176 P CA -0.749 62.402 63.100 0.085 0.000 0.792 176 P CB 0.430 32.156 31.700 0.044 0.000 1.163 177 E N 0.103 120.338 120.200 0.058 0.000 2.694 177 E HA -0.004 4.352 4.350 0.010 0.000 0.250 177 E C -0.438 176.184 176.600 0.037 0.000 0.963 177 E CA -0.004 56.425 56.400 0.047 0.000 0.949 177 E CB -0.161 29.562 29.700 0.037 0.000 0.911 177 E HN 0.238 nan 8.360 nan 0.000 0.500 178 L N 7.616 128.868 121.223 0.049 0.000 2.367 178 L HA 0.314 4.659 4.340 0.010 0.000 0.275 178 L C -1.732 175.155 176.870 0.028 0.000 1.129 178 L CA -1.996 52.866 54.840 0.037 0.000 0.839 178 L CB 0.424 42.528 42.059 0.075 0.000 1.133 178 L HN 0.527 nan 8.230 nan 0.000 0.453 179 P HA 0.125 nan 4.420 nan 0.000 0.276 179 P C -0.025 177.282 177.300 0.011 0.000 1.244 179 P CA -0.453 62.651 63.100 0.007 0.000 0.801 179 P CB 0.899 32.596 31.700 -0.004 0.000 1.006 180 E N 0.259 120.469 120.200 0.015 0.000 2.268 180 E HA -0.112 4.244 4.350 0.010 0.000 0.195 180 E C 1.558 178.166 176.600 0.014 0.000 0.995 180 E CA 1.466 57.878 56.400 0.020 0.000 0.836 180 E CB -0.143 29.569 29.700 0.021 0.000 0.763 180 E HN 0.515 nan 8.360 nan 0.000 0.491 181 S N 0.458 116.162 115.700 0.007 0.000 2.527 181 S HA 0.029 4.505 4.470 0.010 0.000 0.222 181 S C 1.037 175.633 174.600 -0.007 0.000 0.985 181 S CA -0.258 57.944 58.200 0.004 0.000 0.921 181 S CB 0.022 63.224 63.200 0.005 0.000 0.772 181 S HN 0.104 nan 8.310 nan 0.000 0.529 182 L N 2.141 123.351 121.223 -0.021 0.000 2.525 182 L HA 0.138 4.484 4.340 0.010 0.000 0.278 182 L C 0.679 177.515 176.870 -0.056 0.000 1.218 182 L CA 1.144 55.952 54.840 -0.053 0.000 0.878 182 L CB 0.613 42.623 42.059 -0.082 0.000 1.127 182 L HN 0.402 nan 8.230 nan 0.000 0.492 183 E N 2.368 122.532 120.200 -0.060 0.000 2.603 183 E HA 0.306 4.662 4.350 0.010 0.000 0.224 183 E C -0.606 175.975 176.600 -0.031 0.000 0.896 183 E CA -0.057 56.326 56.400 -0.028 0.000 1.224 183 E CB 1.202 30.904 29.700 0.004 0.000 1.206 183 E HN 0.685 nan 8.360 nan 0.000 0.576 184 A N 1.451 124.218 122.820 -0.088 0.000 2.488 184 A HA 0.566 4.892 4.320 0.010 0.000 0.295 184 A C -1.796 175.686 177.584 -0.170 0.000 1.045 184 A CA -0.534 51.448 52.037 -0.092 0.000 0.703 184 A CB 1.353 20.306 19.000 -0.080 0.000 1.271 184 A HN 0.100 nan 8.150 nan 0.000 0.400 185 L N 2.725 123.819 121.223 -0.214 0.000 2.406 185 L HA 0.503 4.849 4.340 0.010 0.000 0.270 185 L C -1.674 175.151 176.870 -0.076 0.000 0.982 185 L CA -0.325 54.391 54.840 -0.205 0.000 0.843 185 L CB 1.607 43.441 42.059 -0.376 0.000 1.225 185 L HN 0.830 nan 8.230 nan 0.000 0.412 186 D N 4.113 124.473 120.400 -0.067 0.000 2.427 186 D HA 0.288 4.934 4.640 0.010 0.000 0.226 186 D C 0.417 176.698 176.300 -0.032 0.000 1.076 186 D CA -0.164 53.819 54.000 -0.029 0.000 0.849 186 D CB 1.454 42.225 40.800 -0.048 0.000 1.052 186 D HN 0.358 nan 8.370 nan 0.000 0.515 187 V N 1.017 120.934 119.914 0.003 0.000 3.006 187 V HA 0.350 4.476 4.120 0.010 0.000 0.357 187 V C 0.561 176.654 176.094 -0.001 0.000 1.377 187 V CA -0.667 61.629 62.300 -0.008 0.000 1.198 187 V CB -0.362 31.465 31.823 0.007 0.000 1.216 187 V HN 0.277 nan 8.190 nan 0.000 0.520 188 S N 1.530 117.231 115.700 0.003 0.000 2.558 188 S HA 0.188 4.663 4.470 0.010 0.000 0.287 188 S C 0.995 175.591 174.600 -0.008 0.000 1.321 188 S CA 1.050 59.253 58.200 0.004 0.000 1.048 188 S CB 0.049 63.250 63.200 0.002 0.000 0.844 188 S HN 0.951 nan 8.310 nan 0.000 0.512 189 T N 2.357 116.909 114.554 -0.004 0.000 3.506 189 T HA -0.161 4.194 4.350 0.010 0.000 0.407 189 T C -0.099 174.592 174.700 -0.015 0.000 0.766 189 T CA 0.596 62.691 62.100 -0.008 0.000 2.070 189 T CB -1.612 67.249 68.868 -0.011 0.000 1.712 189 T HN 0.683 nan 8.240 nan 0.000 0.692 190 N N -0.167 118.524 118.700 -0.014 0.000 3.201 190 N HA 0.594 5.339 4.740 0.010 0.000 0.344 190 N C -0.129 175.372 175.510 -0.015 0.000 1.465 190 N CA -0.810 52.226 53.050 -0.023 0.000 0.731 190 N CB 0.784 39.250 38.487 -0.035 0.000 1.677 190 N HN 0.038 nan 8.380 nan 0.000 0.631 191 L N 1.450 122.658 121.223 -0.024 0.000 3.062 191 L HA 0.436 4.782 4.340 0.010 0.000 0.255 191 L C -0.156 176.694 176.870 -0.034 0.000 1.274 191 L CA 0.041 54.868 54.840 -0.022 0.000 1.047 191 L CB -0.807 41.232 42.059 -0.033 0.000 1.402 191 L HN 0.291 nan 8.230 nan 0.000 0.550 192 L N 0.030 121.240 121.223 -0.022 0.000 2.410 192 L HA 0.053 4.399 4.340 0.010 0.000 0.273 192 L C 1.220 178.077 176.870 -0.022 0.000 1.152 192 L CA 0.152 54.977 54.840 -0.025 0.000 0.855 192 L CB 0.743 42.792 42.059 -0.017 0.000 1.129 192 L HN 0.323 nan 8.230 nan 0.000 0.463 193 E N 0.976 121.142 120.200 -0.057 0.000 2.447 193 E HA 0.003 4.359 4.350 0.010 0.000 0.195 193 E C 0.145 176.726 176.600 -0.031 0.000 1.028 193 E CA 0.106 56.491 56.400 -0.024 0.000 0.876 193 E CB 0.563 30.144 29.700 -0.197 0.000 0.885 193 E HN 0.691 nan 8.360 nan 0.000 0.500 194 S N -0.424 115.219 115.700 -0.095 0.000 2.570 194 S HA 0.359 4.834 4.470 0.010 0.000 0.270 194 S C -0.911 173.600 174.600 -0.149 0.000 1.149 194 S CA -1.087 56.995 58.200 -0.196 0.000 0.837 194 S CB 1.324 64.424 63.200 -0.167 0.000 1.124 194 S HN 0.028 nan 8.310 nan 0.000 0.465 195 L N 2.373 123.477 121.223 -0.198 0.000 2.490 195 L HA 0.421 4.767 4.340 0.010 0.000 0.274 195 L C -2.225 174.559 176.870 -0.143 0.000 1.201 195 L CA -0.835 53.899 54.840 -0.177 0.000 0.869 195 L CB -0.396 41.521 42.059 -0.236 0.000 1.123 195 L HN 0.583 nan 8.230 nan 0.000 0.484 196 P HA 0.144 nan 4.420 nan 0.000 0.265 196 P C -1.085 176.138 177.300 -0.129 0.000 1.193 196 P CA -0.220 62.859 63.100 -0.035 0.000 0.765 196 P CB 0.490 32.285 31.700 0.158 0.000 0.823 197 A N 3.524 126.323 122.820 -0.034 0.000 2.524 197 A HA 0.312 4.638 4.320 0.010 0.000 0.250 197 A C 0.526 178.129 177.584 0.031 0.000 1.078 197 A CA -0.434 51.584 52.037 -0.031 0.000 0.761 197 A CB -0.479 18.526 19.000 0.009 0.000 1.012 197 A HN 0.520 nan 8.150 nan 0.000 0.500 198 V N 2.357 122.261 119.914 -0.017 0.000 2.637 198 V HA 0.454 4.579 4.120 0.010 0.000 0.296 198 V C -1.376 174.795 176.094 0.128 0.000 1.046 198 V CA -1.395 60.980 62.300 0.126 0.000 1.066 198 V CB -0.226 31.623 31.823 0.044 0.000 0.968 198 V HN 0.872 nan 8.190 nan 0.000 0.483 209 E N 1.399 121.637 120.200 0.063 0.000 2.366 209 E HA 0.646 5.002 4.350 0.010 0.000 0.266 209 E C -0.481 176.175 176.600 0.093 0.000 1.051 209 E CA -0.588 55.862 56.400 0.084 0.000 0.884 209 E CB 2.182 31.955 29.700 0.122 0.000 1.006 209 E HN 0.645 nan 8.360 nan 0.000 0.417 210 I N 2.193 122.820 120.570 0.095 0.000 2.545 210 I HA 0.380 4.556 4.170 0.010 0.000 0.292 210 I C -1.633 174.549 176.117 0.107 0.000 1.040 210 I CA -0.712 60.640 61.300 0.087 0.000 1.068 210 I CB 0.937 38.987 38.000 0.082 0.000 1.251 210 I HN 0.417 nan 8.210 nan 0.000 0.424 211 F N 7.104 127.004 119.950 -0.083 0.000 2.493 211 F HA 0.535 5.068 4.527 0.010 0.000 0.329 211 F C -1.267 174.429 175.800 -0.174 0.000 1.126 211 F CA -0.423 57.560 58.000 -0.028 0.000 0.937 211 F CB 1.459 40.440 39.000 -0.032 0.000 1.146 211 F HN 0.234 nan 8.300 nan 0.000 0.442 212 F N 4.636 124.667 119.950 0.135 0.000 2.366 212 F HA 0.455 4.988 4.527 0.010 0.000 0.366 212 F C -0.111 175.775 175.800 0.142 0.000 1.096 212 F CA -0.764 57.301 58.000 0.109 0.000 1.060 212 F CB 1.075 40.087 39.000 0.020 0.000 1.282 212 F HN 0.218 nan 8.300 nan 0.000 0.450 213 R N 2.711 123.381 120.500 0.283 0.000 2.205 213 R HA 0.369 4.715 4.340 0.010 0.000 0.342 213 R C -0.487 175.900 176.300 0.146 0.000 1.058 213 R CA -0.234 55.991 56.100 0.209 0.000 0.904 213 R CB 0.478 30.862 30.300 0.139 0.000 1.089 213 R HN 0.652 nan 8.270 nan 0.000 0.471 214 C N 2.745 122.123 119.300 0.130 0.000 3.115 214 C HA 0.124 4.590 4.460 0.010 0.000 0.277 214 C C 0.949 175.971 174.990 0.053 0.000 1.460 214 C CA -0.692 58.377 59.018 0.085 0.000 1.789 214 C CB -1.058 26.726 27.740 0.073 0.000 2.674 214 C HN 0.812 nan 8.230 nan 0.000 0.582 215 R N 1.890 122.423 120.500 0.055 0.000 2.811 215 R HA 0.142 4.488 4.340 0.010 0.000 0.265 215 R C -0.067 176.247 176.300 0.023 0.000 1.026 215 R CA 0.686 56.810 56.100 0.039 0.000 1.142 215 R CB -0.028 30.293 30.300 0.035 0.000 1.027 215 R HN 0.459 nan 8.270 nan 0.000 0.465 216 E N -0.004 120.207 120.200 0.017 0.000 2.297 216 E HA -0.288 4.068 4.350 0.010 0.000 0.228 216 E C -0.720 175.886 176.600 0.010 0.000 1.213 216 E CA 0.538 56.944 56.400 0.010 0.000 0.712 216 E CB -0.900 28.802 29.700 0.004 0.000 1.202 216 E HN 0.674 nan 8.360 nan 0.000 0.376 217 N N -0.119 118.589 118.700 0.013 0.000 2.992 217 N HA 0.383 5.128 4.740 0.010 0.000 0.338 217 N C 0.239 175.770 175.510 0.034 0.000 1.376 217 N CA -0.639 52.421 53.050 0.016 0.000 0.778 217 N CB 0.757 39.250 38.487 0.010 0.000 1.232 217 N HN -0.024 nan 8.380 nan 0.000 0.581 218 R N 1.123 121.660 120.500 0.061 0.000 2.748 218 R HA 0.399 4.745 4.340 0.010 0.000 0.395 218 R C -0.448 175.940 176.300 0.147 0.000 1.128 218 R CA -0.340 55.845 56.100 0.141 0.000 1.042 218 R CB -0.143 30.327 30.300 0.283 0.000 1.392 218 R HN 0.466 nan 8.270 nan 0.000 0.582 219 I N 2.255 122.846 120.570 0.035 0.000 2.505 219 I HA -0.015 4.161 4.170 0.010 0.000 0.287 219 I C 1.524 177.618 176.117 -0.038 0.000 1.104 219 I CA 0.553 61.832 61.300 -0.035 0.000 1.387 219 I CB 0.614 38.560 38.000 -0.090 0.000 1.404 219 I HN 0.094 nan 8.210 nan 0.000 0.528 220 T N 2.185 116.729 114.554 -0.018 0.000 3.044 220 T HA 0.081 4.437 4.350 0.010 0.000 0.250 220 T C 0.491 175.233 174.700 0.070 0.000 1.081 220 T CA 0.264 62.367 62.100 0.004 0.000 1.040 220 T CB 0.009 68.878 68.868 0.001 0.000 0.962 220 T HN 0.766 nan 8.240 nan 0.000 0.506 221 H N -0.148 118.903 119.070 -0.032 0.000 3.037 221 H HA 0.579 5.141 4.556 0.010 0.000 0.336 221 H C -1.427 173.871 175.328 -0.050 0.000 1.323 221 H CA -1.461 54.569 56.048 -0.030 0.000 1.159 221 H CB 1.062 30.817 29.762 -0.012 0.000 1.882 221 H HN 0.344 nan 8.280 nan 0.000 0.535 222 I N -1.267 119.292 120.570 -0.018 0.000 2.910 222 I HA 0.633 4.808 4.170 0.010 0.000 0.310 222 I C -2.907 173.264 176.117 0.090 0.000 1.043 222 I CA -2.798 58.433 61.300 -0.115 0.000 1.053 222 I CB 2.120 39.942 38.000 -0.296 0.000 1.242 222 I HN 0.205 nan 8.210 nan 0.000 0.452 223 P HA 0.182 nan 4.420 nan 0.000 0.274 223 P C -0.004 177.417 177.300 0.203 0.000 1.237 223 P CA -0.219 62.948 63.100 0.111 0.000 0.793 223 P CB 0.712 32.430 31.700 0.030 0.000 0.977 224 E N 1.547 121.876 120.200 0.215 0.000 2.107 224 E HA -0.147 4.209 4.350 0.010 0.000 0.191 224 E C 1.423 178.140 176.600 0.195 0.000 0.982 224 E CA 0.992 57.547 56.400 0.258 0.000 0.809 224 E CB -0.565 29.179 29.700 0.074 0.000 0.756 224 E HN 0.573 nan 8.360 nan 0.000 0.459 225 N N 1.602 120.361 118.700 0.099 0.000 2.585 225 N HA -0.166 4.580 4.740 0.010 0.000 0.188 225 N C 1.790 177.326 175.510 0.044 0.000 1.102 225 N CA 0.389 53.474 53.050 0.058 0.000 0.920 225 N CB -0.297 38.206 38.487 0.026 0.000 0.963 225 N HN 0.088 nan 8.380 nan 0.000 0.447 226 I N 1.405 122.002 120.570 0.045 0.000 2.248 226 I HA -0.194 3.982 4.170 0.010 0.000 0.248 226 I C 2.151 178.250 176.117 -0.029 0.000 1.107 226 I CA 1.062 62.338 61.300 -0.040 0.000 1.373 226 I CB -0.164 37.747 38.000 -0.148 0.000 1.055 226 I HN 0.160 nan 8.210 nan 0.000 0.418 227 L N -0.287 120.963 121.223 0.044 0.000 2.478 227 L HA -0.041 4.305 4.340 0.010 0.000 0.223 227 L C 1.907 178.790 176.870 0.022 0.000 1.140 227 L CA 0.973 55.835 54.840 0.036 0.000 0.842 227 L CB -0.599 41.523 42.059 0.105 0.000 0.953 227 L HN 0.369 nan 8.230 nan 0.000 0.452 228 S N -0.925 114.789 115.700 0.023 0.000 2.660 228 S HA 0.189 4.665 4.470 0.010 0.000 0.227 228 S C 0.382 174.984 174.600 0.003 0.000 0.948 228 S CA -0.455 57.754 58.200 0.014 0.000 0.948 228 S CB -0.289 62.922 63.200 0.019 0.000 0.779 228 S HN 0.032 nan 8.310 nan 0.000 0.487 229 L N 3.626 124.843 121.223 -0.009 0.000 2.395 229 L HA 0.351 4.696 4.340 0.010 0.000 0.269 229 L C 0.160 177.026 176.870 -0.008 0.000 1.133 229 L CA -0.275 54.557 54.840 -0.013 0.000 0.812 229 L CB 0.347 42.386 42.059 -0.033 0.000 1.125 229 L HN 0.293 nan 8.230 nan 0.000 0.452 230 D N 2.252 122.653 120.400 0.002 0.000 2.372 230 D HA 0.108 4.754 4.640 0.010 0.000 0.243 230 D C -2.156 174.143 176.300 -0.001 0.000 1.121 230 D CA -1.998 52.004 54.000 0.004 0.000 0.898 230 D CB 0.265 41.072 40.800 0.012 0.000 1.202 230 D HN 0.281 nan 8.370 nan 0.000 0.428 231 P HA -0.048 nan 4.420 nan 0.000 0.239 231 P C 1.069 178.367 177.300 -0.003 0.000 1.184 231 P CA 0.899 63.993 63.100 -0.011 0.000 0.760 231 P CB -0.118 31.578 31.700 -0.007 0.000 0.884 232 T N -4.708 109.852 114.554 0.010 0.000 3.023 232 T HA -0.054 4.302 4.350 0.010 0.000 0.266 232 T C 0.941 175.652 174.700 0.018 0.000 1.093 232 T CA 0.009 62.123 62.100 0.024 0.000 1.129 232 T CB -1.176 67.713 68.868 0.034 0.000 0.899 232 T HN 0.132 nan 8.240 nan 0.000 0.491 233 C N 3.339 122.642 119.300 0.006 0.000 2.435 233 C HA 0.713 5.179 4.460 0.010 0.000 0.375 233 C C 0.479 175.424 174.990 -0.076 0.000 1.281 233 C CA -0.254 58.767 59.018 0.005 0.000 1.963 233 C CB -0.162 27.603 27.740 0.041 0.000 2.490 233 C HN 0.591 nan 8.230 nan 0.000 0.557 234 T N 7.289 121.733 114.554 -0.183 0.000 2.879 234 T HA 0.634 4.990 4.350 0.010 0.000 0.290 234 T C -0.984 173.533 174.700 -0.305 0.000 0.993 234 T CA -0.610 61.288 62.100 -0.338 0.000 0.975 234 T CB 0.473 69.010 68.868 -0.551 0.000 0.981 234 T HN 0.619 nan 8.240 nan 0.000 0.439 235 I N 5.343 125.846 120.570 -0.111 0.000 2.465 235 I HA 0.483 4.659 4.170 0.010 0.000 0.291 235 I C -0.431 175.754 176.117 0.113 0.000 1.014 235 I CA -1.119 60.190 61.300 0.016 0.000 1.093 235 I CB 1.915 39.883 38.000 -0.053 0.000 1.267 235 I HN 0.682 nan 8.210 nan 0.000 0.431 236 I N 6.226 126.896 120.570 0.167 0.000 2.339 236 I HA 0.224 4.400 4.170 0.010 0.000 0.290 236 I C 0.255 176.454 176.117 0.135 0.000 0.994 236 I CA -0.267 61.155 61.300 0.203 0.000 1.191 236 I CB 1.764 39.876 38.000 0.187 0.000 1.343 236 I HN 0.405 nan 8.210 nan 0.000 0.458 237 L N 4.994 126.301 121.223 0.140 0.000 2.966 237 L HA 0.296 4.642 4.340 0.010 0.000 0.262 237 L C 0.681 177.612 176.870 0.102 0.000 1.165 237 L CA 0.144 55.038 54.840 0.090 0.000 0.978 237 L CB -0.225 41.864 42.059 0.051 0.000 1.337 237 L HN 0.480 nan 8.230 nan 0.000 0.563 238 E N 1.105 121.378 120.200 0.120 0.000 2.653 238 E HA -0.136 4.220 4.350 0.010 0.000 0.264 238 E C 0.010 176.643 176.600 0.055 0.000 0.949 238 E CA 0.447 56.900 56.400 0.089 0.000 0.953 238 E CB 0.085 29.822 29.700 0.060 0.000 0.925 238 E HN 0.065 nan 8.360 nan 0.000 0.475 239 D N 2.170 122.597 120.400 0.044 0.000 2.956 239 D HA -0.171 4.474 4.640 0.010 0.000 0.240 239 D C -1.389 174.920 176.300 0.016 0.000 1.141 239 D CA 0.805 54.819 54.000 0.022 0.000 0.820 239 D CB -1.012 39.795 40.800 0.012 0.000 0.988 239 D HN 0.474 nan 8.370 nan 0.000 0.417 240 N N 0.597 119.305 118.700 0.013 0.000 2.321 240 N HA 0.444 5.190 4.740 0.010 0.000 0.290 240 N C -2.142 173.356 175.510 -0.021 0.000 1.212 240 N CA -1.182 51.867 53.050 -0.003 0.000 0.767 240 N CB 1.594 40.077 38.487 -0.006 0.000 1.494 240 N HN -0.144 nan 8.380 nan 0.000 0.479 241 P HA 0.004 nan 4.420 nan 0.000 0.279 241 P C -0.543 176.711 177.300 -0.077 0.000 1.451 241 P CA 0.378 63.433 63.100 -0.075 0.000 0.783 241 P CB -0.138 31.493 31.700 -0.115 0.000 1.490 242 L N 0.648 121.841 121.223 -0.049 0.000 2.513 242 L HA 0.024 4.370 4.340 0.010 0.000 0.272 242 L C 1.384 178.229 176.870 -0.040 0.000 1.187 242 L CA -0.169 54.645 54.840 -0.043 0.000 0.895 242 L CB -0.028 42.006 42.059 -0.043 0.000 1.147 242 L HN 0.102 nan 8.230 nan 0.000 0.483 243 S N 1.110 116.784 115.700 -0.043 0.000 2.579 243 S HA 0.030 4.506 4.470 0.010 0.000 0.275 243 S C 1.273 175.862 174.600 -0.019 0.000 1.345 243 S CA -0.277 57.897 58.200 -0.043 0.000 1.031 243 S CB 1.300 64.471 63.200 -0.049 0.000 0.892 243 S HN 0.719 nan 8.310 nan 0.000 0.529 244 S N 2.425 118.116 115.700 -0.015 0.000 2.419 244 S HA -0.140 4.336 4.470 0.010 0.000 0.233 244 S C 1.758 176.364 174.600 0.011 0.000 1.016 244 S CA 0.628 58.831 58.200 0.006 0.000 0.974 244 S CB -0.481 62.722 63.200 0.004 0.000 0.786 244 S HN 0.772 nan 8.310 nan 0.000 0.492 245 R N 0.859 121.361 120.500 0.003 0.000 2.066 245 R HA 0.112 4.458 4.340 0.010 0.000 0.232 245 R C 2.304 178.620 176.300 0.027 0.000 1.131 245 R CA 1.574 57.681 56.100 0.012 0.000 0.955 245 R CB -0.618 29.686 30.300 0.007 0.000 0.851 245 R HN 0.447 nan 8.270 nan 0.000 0.432 246 I N 0.316 120.905 120.570 0.033 0.000 2.179 246 I HA -0.284 3.892 4.170 0.010 0.000 0.242 246 I C 2.534 178.656 176.117 0.008 0.000 1.088 246 I CA 1.362 62.707 61.300 0.075 0.000 1.357 246 I CB -0.212 37.827 38.000 0.065 0.000 1.051 246 I HN 0.061 nan 8.210 nan 0.000 0.409 247 R N 0.789 121.262 120.500 -0.045 0.000 2.073 247 R HA -0.176 4.170 4.340 0.010 0.000 0.234 247 R C 2.205 178.469 176.300 -0.061 0.000 1.134 247 R CA 1.565 57.598 56.100 -0.112 0.000 0.952 247 R CB -0.251 30.080 30.300 0.052 0.000 0.850 247 R HN 0.358 nan 8.270 nan 0.000 0.433 248 E N -0.750 119.465 120.200 0.024 0.000 2.153 248 E HA -0.162 4.194 4.350 0.010 0.000 0.194 248 E C 1.876 178.484 176.600 0.013 0.000 0.988 248 E CA 1.227 57.654 56.400 0.045 0.000 0.811 248 E CB -0.043 29.678 29.700 0.036 0.000 0.746 248 E HN 0.172 nan 8.360 nan 0.000 0.466 249 S N 0.254 115.956 115.700 0.003 0.000 2.383 249 S HA -0.069 4.407 4.470 0.010 0.000 0.227 249 S C 1.881 176.516 174.600 0.059 0.000 1.026 249 S CA 0.550 58.741 58.200 -0.015 0.000 0.981 249 S CB -0.043 63.146 63.200 -0.019 0.000 0.818 249 S HN 0.185 nan 8.310 nan 0.000 0.472 250 L N 0.959 122.198 121.223 0.026 0.000 2.017 250 L HA -0.090 4.256 4.340 0.010 0.000 0.208 250 L C 3.109 179.934 176.870 -0.074 0.000 1.073 250 L CA 1.619 56.368 54.840 -0.152 0.000 0.745 250 L CB -0.859 40.704 42.059 -0.827 0.000 0.894 250 L HN 0.476 nan 8.230 nan 0.000 0.432 251 S N -0.967 114.761 115.700 0.047 0.000 2.383 251 S HA -0.285 4.191 4.470 0.010 0.000 0.229 251 S C 2.049 176.718 174.600 0.116 0.000 1.030 251 S CA 1.534 59.901 58.200 0.278 0.000 1.002 251 S CB -0.409 62.986 63.200 0.325 0.000 0.829 251 S HN 0.358 nan 8.310 nan 0.000 0.467 252 Q N 0.642 120.472 119.800 0.050 0.000 2.020 252 Q HA -0.195 4.150 4.340 0.010 0.000 0.202 252 Q C 2.239 178.239 176.000 0.000 0.000 0.982 252 Q CA 1.946 57.753 55.803 0.007 0.000 0.838 252 Q CB -0.192 28.520 28.738 -0.043 0.000 0.899 252 Q HN 0.963 nan 8.270 nan 0.000 0.423 253 Q N -0.949 118.853 119.800 0.003 0.000 2.424 253 Q HA 0.014 4.360 4.340 0.010 0.000 0.204 253 Q C 1.603 177.620 176.000 0.029 0.000 0.933 253 Q CA 1.234 57.041 55.803 0.007 0.000 0.929 253 Q CB -0.084 28.656 28.738 0.003 0.000 1.037 253 Q HN 0.308 nan 8.270 nan 0.000 0.511 254 T N -2.094 112.486 114.554 0.044 0.000 3.043 254 T HA 0.239 4.595 4.350 0.010 0.000 0.263 254 T C 1.953 176.669 174.700 0.027 0.000 1.094 254 T CA 0.556 62.679 62.100 0.037 0.000 1.127 254 T CB 0.105 69.011 68.868 0.062 0.000 0.905 254 T HN 0.306 nan 8.240 nan 0.000 0.490 255 A N 1.414 124.253 122.820 0.032 0.000 1.898 255 A HA 0.353 4.678 4.320 0.010 0.000 0.214 255 A C 1.939 179.529 177.584 0.009 0.000 1.183 255 A CA 0.964 53.012 52.037 0.019 0.000 0.622 255 A CB -1.345 17.669 19.000 0.023 0.000 0.824 255 A HN 0.778 nan 8.150 nan 0.000 0.444 256 Q N 1.143 120.947 119.800 0.007 0.000 2.274 256 Q HA 0.422 4.768 4.340 0.010 0.000 0.280 256 Q C -2.549 173.452 176.000 0.002 0.000 1.047 256 Q CA -1.183 54.620 55.803 0.001 0.000 0.907 256 Q CB -1.171 27.564 28.738 -0.004 0.000 1.171 256 Q HN 0.511 nan 8.270 nan 0.000 0.381 257 P HA 0.528 nan 4.420 nan 0.000 0.282 257 P C -0.639 176.662 177.300 0.002 0.000 1.262 257 P CA 0.521 63.621 63.100 0.001 0.000 0.773 257 P CB 0.952 32.653 31.700 0.001 0.000 0.879 263 R N 2.376 122.802 120.500 -0.124 0.000 2.347 263 R HA 0.596 4.942 4.340 0.010 0.000 0.304 263 R C -0.399 175.757 176.300 -0.241 0.000 1.072 263 R CA -0.021 55.953 56.100 -0.209 0.000 0.980 263 R CB 0.228 30.393 30.300 -0.225 0.000 0.986 263 R HN 0.477 nan 8.270 nan 0.000 0.448 264 I N 6.014 126.427 120.570 -0.262 0.000 2.448 264 I HA 0.198 4.374 4.170 0.010 0.000 0.281 264 I C -0.960 175.101 176.117 -0.094 0.000 1.027 264 I CA -0.860 60.369 61.300 -0.117 0.000 1.111 264 I CB 1.197 39.168 38.000 -0.048 0.000 1.236 264 I HN 0.586 nan 8.210 nan 0.000 0.452 265 Y N 7.100 127.447 120.300 0.079 0.000 2.336 265 Y HA 0.495 5.051 4.550 0.010 0.000 0.335 265 Y C 0.029 175.996 175.900 0.112 0.000 1.046 265 Y CA -0.411 57.698 58.100 0.016 0.000 1.198 265 Y CB 0.536 38.989 38.460 -0.011 0.000 1.182 265 Y HN 0.430 nan 8.280 nan 0.000 0.502 266 F N -1.490 118.504 119.950 0.073 0.000 2.662 266 F HA 0.797 5.330 4.527 0.010 0.000 0.312 266 F C -0.466 175.351 175.800 0.028 0.000 1.113 266 F CA -1.435 56.580 58.000 0.026 0.000 0.951 266 F CB 0.724 39.706 39.000 -0.030 0.000 1.344 266 F HN 0.220 nan 8.300 nan 0.000 0.462 280 L N -0.537 120.747 121.223 0.101 0.000 3.154 280 L HA 0.740 5.086 4.340 0.010 0.000 0.280 280 L C 1.687 178.660 176.870 0.172 0.000 1.134 280 L CA 1.301 56.222 54.840 0.136 0.000 1.037 280 L CB -0.743 41.404 42.059 0.147 0.000 1.571 280 L HN 0.673 nan 8.230 nan 0.000 0.576 281 A N -0.825 122.090 122.820 0.158 0.000 2.178 281 A HA 0.091 4.417 4.320 0.010 0.000 0.211 281 A C 1.681 179.334 177.584 0.116 0.000 1.157 281 A CA 1.051 53.189 52.037 0.168 0.000 0.780 281 A CB -0.397 18.702 19.000 0.165 0.000 0.828 281 A HN 0.613 nan 8.150 nan 0.000 0.476 282 D N 0.748 121.204 120.400 0.093 0.000 2.224 282 D HA -0.020 4.626 4.640 0.010 0.000 0.205 282 D C 2.039 178.380 176.300 0.069 0.000 0.965 282 D CA 1.208 55.248 54.000 0.067 0.000 0.852 282 D CB -0.155 40.673 40.800 0.047 0.000 0.947 282 D HN 0.451 nan 8.370 nan 0.000 0.494 283 A N 1.433 124.308 122.820 0.091 0.000 1.897 283 A HA 0.008 4.334 4.320 0.010 0.000 0.215 283 A C 2.558 180.271 177.584 0.214 0.000 1.181 283 A CA 1.723 53.834 52.037 0.123 0.000 0.620 283 A CB -0.930 18.144 19.000 0.123 0.000 0.821 283 A HN 0.219 nan 8.150 nan 0.000 0.443 284 V N -0.813 119.168 119.914 0.112 0.000 2.453 284 V HA 0.016 4.142 4.120 0.010 0.000 0.247 284 V C 2.754 178.974 176.094 0.210 0.000 1.048 284 V CA 3.104 65.413 62.300 0.015 0.000 1.049 284 V CB -1.864 29.619 31.823 -0.567 0.000 0.672 284 V HN 0.561 nan 8.190 nan 0.000 0.457 285 T N -0.370 114.273 114.554 0.148 0.000 2.788 285 T HA 0.085 4.441 4.350 0.010 0.000 0.268 285 T C 2.148 176.988 174.700 0.233 0.000 1.044 285 T CA 2.523 64.740 62.100 0.195 0.000 1.139 285 T CB -0.456 68.472 68.868 0.100 0.000 0.867 285 T HN 1.024 nan 8.240 nan 0.000 0.454 286 A N -0.244 122.645 122.820 0.115 0.000 2.125 286 A HA 0.075 4.401 4.320 0.010 0.000 0.219 286 A C 1.936 179.428 177.584 -0.154 0.000 1.156 286 A CA 1.123 53.123 52.037 -0.062 0.000 0.671 286 A CB -0.860 18.017 19.000 -0.205 0.000 0.794 286 A HN 0.824 nan 8.150 nan 0.000 0.459 287 W N -2.075 119.242 121.300 0.029 0.000 3.139 287 W HA 0.359 5.024 4.660 0.009 0.000 0.260 287 W C 0.227 176.618 176.519 -0.214 0.000 1.312 287 W CA -0.466 56.820 57.345 -0.098 0.000 1.606 287 W CB -0.069 29.298 29.460 -0.154 0.000 1.118 287 W HN 0.132 nan 8.180 nan 0.000 0.675 288 F N 0.753 120.814 119.950 0.185 0.000 2.525 288 F HA 0.482 5.015 4.527 0.009 0.000 0.346 288 F C -1.276 174.571 175.800 0.079 0.000 1.072 288 F CA -2.280 55.803 58.000 0.137 0.000 1.033 288 F CB -0.517 38.558 39.000 0.125 0.000 1.324 288 F HN -0.414 nan 8.300 nan 0.000 0.491 296 V N -0.210 119.643 119.914 -0.101 0.000 2.788 296 V HA 0.396 4.522 4.120 0.010 0.000 0.251 296 V C 2.876 179.019 176.094 0.081 0.000 1.068 296 V CA 2.956 65.208 62.300 -0.081 0.000 1.090 296 V CB -0.830 30.713 31.823 -0.467 0.000 0.710 296 V HN 1.298 nan 8.190 nan 0.000 0.467 297 S N 0.112 115.829 115.700 0.028 0.000 2.368 297 S HA -0.159 4.317 4.470 0.010 0.000 0.225 297 S C 2.191 176.845 174.600 0.090 0.000 1.030 297 S CA 2.695 60.945 58.200 0.082 0.000 0.999 297 S CB -0.457 62.773 63.200 0.050 0.000 0.844 297 S HN 0.995 nan 8.310 nan 0.000 0.459 298 Q N 0.071 119.892 119.800 0.034 0.000 2.119 298 Q HA 0.259 4.605 4.340 0.010 0.000 0.201 298 Q C 2.530 178.492 176.000 -0.064 0.000 0.972 298 Q CA 2.011 57.810 55.803 -0.007 0.000 0.847 298 Q CB -1.774 26.954 28.738 -0.016 0.000 0.903 298 Q HN 1.318 nan 8.270 nan 0.000 0.433 299 I N -2.241 118.297 120.570 -0.055 0.000 2.394 299 I HA -0.030 4.146 4.170 0.010 0.000 0.251 299 I C 2.305 178.165 176.117 -0.428 0.000 1.136 299 I CA 1.636 62.834 61.300 -0.171 0.000 1.425 299 I CB -1.159 36.801 38.000 -0.067 0.000 1.079 299 I HN 0.715 nan 8.210 nan 0.000 0.425 300 W N 0.147 121.281 121.300 -0.277 0.000 2.576 300 W HA 0.140 4.806 4.660 0.009 0.000 0.270 300 W C 2.959 179.295 176.519 -0.305 0.000 1.255 300 W CA 1.838 59.028 57.345 -0.258 0.000 1.314 300 W CB -0.875 28.629 29.460 0.074 0.000 1.101 300 W HN 0.658 nan 8.180 nan 0.000 0.595 301 H N -0.460 118.604 119.070 -0.011 0.000 2.460 301 H HA 0.024 4.586 4.556 0.010 0.000 0.297 301 H C 1.988 177.258 175.328 -0.096 0.000 1.103 301 H CA 2.088 58.138 56.048 0.002 0.000 1.292 301 H CB -0.886 28.878 29.762 0.005 0.000 1.376 301 H HN 0.169 nan 8.280 nan 0.000 0.531 302 A N -0.061 122.538 122.820 -0.368 0.000 2.067 302 A HA 0.178 4.503 4.320 0.010 0.000 0.219 302 A C 1.860 179.341 177.584 -0.173 0.000 1.158 302 A CA 1.119 52.945 52.037 -0.352 0.000 0.661 302 A CB -0.626 18.074 19.000 -0.499 0.000 0.801 302 A HN 0.743 nan 8.150 nan 0.000 0.452 303 F N -0.953 119.023 119.950 0.043 0.000 2.660 303 F HA 0.214 4.747 4.527 0.009 0.000 0.302 303 F C 1.774 177.689 175.800 0.192 0.000 1.103 303 F CA 0.001 58.026 58.000 0.042 0.000 1.340 303 F CB 0.139 39.087 39.000 -0.086 0.000 1.048 303 F HN 0.162 nan 8.300 nan 0.000 0.551 304 E N 0.519 120.912 120.200 0.321 0.000 2.051 304 E HA -0.188 4.168 4.350 0.010 0.000 0.192 304 E C 0.630 177.384 176.600 0.255 0.000 0.991 304 E CA 1.330 57.920 56.400 0.317 0.000 0.799 304 E CB -0.126 29.766 29.700 0.320 0.000 0.748 304 E HN 0.369 nan 8.360 nan 0.000 0.449 305 H N 0.291 119.447 119.070 0.144 0.000 2.595 305 H HA 0.317 4.879 4.556 0.010 0.000 0.264 305 H C -0.687 174.702 175.328 0.102 0.000 1.503 305 H CA -0.056 56.058 56.048 0.109 0.000 1.142 305 H CB -0.133 29.671 29.762 0.070 0.000 1.554 305 H HN 0.094 nan 8.280 nan 0.000 0.501 306 E N 0.204 120.525 120.200 0.201 0.000 2.235 306 E HA 0.183 4.538 4.350 0.010 0.000 0.265 306 E C -0.241 176.443 176.600 0.140 0.000 0.940 306 E CA -1.110 55.369 56.400 0.132 0.000 0.819 306 E CB 1.824 31.567 29.700 0.073 0.000 1.206 306 E HN 0.290 nan 8.360 nan 0.000 0.409 307 E N 1.355 121.591 120.200 0.060 0.000 2.502 307 E HA -0.143 4.213 4.350 0.010 0.000 0.261 307 E C -0.494 176.224 176.600 0.197 0.000 0.974 307 E CA 0.564 56.961 56.400 -0.006 0.000 0.936 307 E CB 0.053 29.695 29.700 -0.097 0.000 0.926 307 E HN 0.517 nan 8.360 nan 0.000 0.459 308 H N 1.126 120.327 119.070 0.218 0.000 2.921 308 H HA -0.269 4.293 4.556 0.010 0.000 0.281 308 H C 0.996 176.462 175.328 0.230 0.000 1.165 308 H CA 0.779 56.964 56.048 0.228 0.000 1.151 308 H CB -1.837 28.072 29.762 0.244 0.000 1.311 308 H HN 0.525 nan 8.280 nan 0.000 0.361 309 A N 0.241 123.274 122.820 0.355 0.000 1.877 309 A HA -0.235 4.090 4.320 0.010 0.000 0.216 309 A C 2.418 180.106 177.584 0.174 0.000 1.186 309 A CA 2.448 54.662 52.037 0.294 0.000 0.620 309 A CB -1.148 18.058 19.000 0.342 0.000 0.822 309 A HN 0.746 nan 8.150 nan 0.000 0.443 310 N N -0.956 117.838 118.700 0.158 0.000 2.149 310 N HA -0.176 4.570 4.740 0.010 0.000 0.188 310 N C 2.000 177.587 175.510 0.128 0.000 1.019 310 N CA 2.324 55.450 53.050 0.126 0.000 0.857 310 N CB -1.244 37.302 38.487 0.099 0.000 0.997 310 N HN 0.489 nan 8.380 nan 0.000 0.426 311 T N -1.489 113.157 114.554 0.154 0.000 2.951 311 T HA 0.096 4.452 4.350 0.010 0.000 0.268 311 T C 1.475 176.257 174.700 0.136 0.000 1.073 311 T CA 0.654 62.839 62.100 0.142 0.000 1.134 311 T CB -0.448 68.513 68.868 0.156 0.000 0.884 311 T HN 0.512 nan 8.240 nan 0.000 0.479 312 F N 1.792 121.684 119.950 -0.096 0.000 2.234 312 F HA 0.175 4.707 4.527 0.009 0.000 0.296 312 F C 2.604 178.426 175.800 0.037 0.000 1.089 312 F CA 1.327 59.229 58.000 -0.163 0.000 1.343 312 F CB -0.488 38.048 39.000 -0.773 0.000 1.040 312 F HN 0.204 nan 8.300 nan 0.000 0.498 313 S N 0.230 115.996 115.700 0.110 0.000 2.423 313 S HA 0.004 4.480 4.470 0.010 0.000 0.231 313 S C 2.114 176.742 174.600 0.047 0.000 1.014 313 S CA 1.074 59.324 58.200 0.083 0.000 0.965 313 S CB -0.933 62.341 63.200 0.124 0.000 0.785 313 S HN 0.401 nan 8.310 nan 0.000 0.495 314 A N 0.324 123.181 122.820 0.061 0.000 1.929 314 A HA 0.194 4.520 4.320 0.010 0.000 0.216 314 A C 1.959 179.569 177.584 0.044 0.000 1.176 314 A CA 1.446 53.516 52.037 0.054 0.000 0.628 314 A CB -0.650 18.395 19.000 0.074 0.000 0.816 314 A HN 0.650 nan 8.150 nan 0.000 0.444 315 F N 0.848 120.742 119.950 -0.095 0.000 2.075 315 F HA -0.136 4.397 4.527 0.009 0.000 0.297 315 F C 1.884 177.629 175.800 -0.091 0.000 1.113 315 F CA 1.787 59.719 58.000 -0.113 0.000 1.218 315 F CB -0.414 38.469 39.000 -0.194 0.000 0.984 315 F HN 0.133 nan 8.300 nan 0.000 0.472 316 L N 0.118 121.204 121.223 -0.230 0.000 2.042 316 L HA -0.251 4.094 4.340 0.010 0.000 0.210 316 L C 2.146 179.029 176.870 0.022 0.000 1.076 316 L CA 1.696 56.453 54.840 -0.139 0.000 0.749 316 L CB -0.914 41.193 42.059 0.079 0.000 0.893 316 L HN 0.131 nan 8.230 nan 0.000 0.432 317 D N -0.587 119.804 120.400 -0.015 0.000 2.144 317 D HA -0.162 4.484 4.640 0.010 0.000 0.200 317 D C 2.253 178.496 176.300 -0.096 0.000 0.978 317 D CA 0.787 54.765 54.000 -0.036 0.000 0.833 317 D CB -0.061 40.725 40.800 -0.024 0.000 0.961 317 D HN 0.069 nan 8.370 nan 0.000 0.470 318 R N 0.810 121.228 120.500 -0.137 0.000 2.092 318 R HA 0.013 4.359 4.340 0.010 0.000 0.231 318 R C 2.079 178.247 176.300 -0.220 0.000 1.119 318 R CA 0.679 56.687 56.100 -0.154 0.000 0.970 318 R CB -0.878 29.349 30.300 -0.121 0.000 0.864 318 R HN 0.156 nan 8.270 nan 0.000 0.440 319 L N 0.104 121.114 121.223 -0.355 0.000 2.046 319 L HA -0.126 4.220 4.340 0.010 0.000 0.208 319 L C 2.035 178.836 176.870 -0.114 0.000 1.077 319 L CA 2.200 56.832 54.840 -0.347 0.000 0.747 319 L CB -0.828 40.851 42.059 -0.633 0.000 0.896 319 L HN 0.418 nan 8.230 nan 0.000 0.432 320 S N -0.297 115.404 115.700 0.002 0.000 2.356 320 S HA -0.242 4.233 4.470 0.010 0.000 0.223 320 S C 1.639 176.089 174.600 -0.250 0.000 1.032 320 S CA 1.679 59.754 58.200 -0.210 0.000 1.005 320 S CB -0.247 62.725 63.200 -0.379 0.000 0.867 320 S HN 0.523 nan 8.310 nan 0.000 0.449 321 D N -0.133 120.152 120.400 -0.193 0.000 2.311 321 D HA -0.064 4.582 4.640 0.010 0.000 0.212 321 D C 1.682 177.873 176.300 -0.182 0.000 0.972 321 D CA 1.147 55.045 54.000 -0.170 0.000 0.887 321 D CB -0.187 40.540 40.800 -0.122 0.000 0.915 321 D HN 0.414 nan 8.370 nan 0.000 0.497 322 T N -1.913 112.514 114.554 -0.212 0.000 3.001 322 T HA 0.165 4.521 4.350 0.010 0.000 0.251 322 T C 1.085 175.602 174.700 -0.305 0.000 1.040 322 T CA 0.238 62.203 62.100 -0.224 0.000 0.985 322 T CB 0.336 69.081 68.868 -0.205 0.000 1.011 322 T HN -0.022 nan 8.240 nan 0.000 0.509 323 V N 0.594 120.299 119.914 -0.349 0.000 3.380 323 V HA 0.186 4.312 4.120 0.010 0.000 0.277 323 V C 2.015 177.888 176.094 -0.368 0.000 1.590 323 V CA 0.996 63.038 62.300 -0.430 0.000 1.019 323 V CB 0.540 31.979 31.823 -0.639 0.000 0.828 323 V HN 0.533 nan 8.190 nan 0.000 0.427 324 S N 0.902 116.398 115.700 -0.339 0.000 2.500 324 S HA -0.008 4.467 4.470 0.010 0.000 0.239 324 S C 1.736 176.180 174.600 -0.261 0.000 0.989 324 S CA 1.238 59.248 58.200 -0.317 0.000 0.951 324 S CB -0.112 62.895 63.200 -0.323 0.000 0.759 324 S HN 0.756 nan 8.310 nan 0.000 0.523 325 A N 1.132 123.754 122.820 -0.331 0.000 2.123 325 A HA 0.290 4.616 4.320 0.010 0.000 0.214 325 A C 1.188 178.625 177.584 -0.245 0.000 1.152 325 A CA -0.201 51.644 52.037 -0.320 0.000 0.728 325 A CB -0.153 18.544 19.000 -0.506 0.000 0.814 325 A HN 0.517 nan 8.150 nan 0.000 0.464 326 R N 0.256 120.590 120.500 -0.277 0.000 2.340 326 R HA 0.317 4.663 4.340 0.010 0.000 0.300 326 R C 0.292 176.623 176.300 0.052 0.000 1.069 326 R CA 0.106 56.200 56.100 -0.010 0.000 0.984 326 R CB 0.428 30.695 30.300 -0.055 0.000 1.003 326 R HN 0.529 nan 8.270 nan 0.000 0.459 327 N N 0.165 118.942 118.700 0.127 0.000 2.333 327 N HA -0.090 4.656 4.740 0.010 0.000 0.183 327 N C -0.227 175.328 175.510 0.076 0.000 1.030 327 N CA 0.214 53.317 53.050 0.088 0.000 0.867 327 N CB 0.291 38.835 38.487 0.094 0.000 1.027 327 N HN 0.506 nan 8.380 nan 0.000 0.435 328 T N 2.322 116.927 114.554 0.085 0.000 2.265 328 T HA -0.183 4.173 4.350 0.010 0.000 0.553 328 T C -0.419 174.363 174.700 0.135 0.000 0.873 328 T CA -0.160 61.999 62.100 0.100 0.000 3.443 328 T CB -0.998 67.919 68.868 0.083 0.000 1.306 328 T HN 0.168 nan 8.240 nan 0.000 0.297 329 S N 3.455 119.240 115.700 0.142 0.000 2.553 329 S HA 0.350 4.826 4.470 0.010 0.000 0.293 329 S C 1.787 176.463 174.600 0.127 0.000 1.296 329 S CA 0.309 58.593 58.200 0.139 0.000 1.046 329 S CB 0.527 63.837 63.200 0.184 0.000 0.810 329 S HN 1.620 nan 8.310 nan 0.000 0.505 330 G N 2.036 110.905 108.800 0.116 0.000 4.677 330 G HA2 -0.327 3.639 3.960 0.010 0.000 0.215 330 G HA3 -0.327 3.639 3.960 0.010 0.000 0.215 330 G C 0.693 175.660 174.900 0.112 0.000 1.506 330 G CA 0.445 45.610 45.100 0.108 0.000 1.016 330 G HN 0.623 nan 8.290 nan 0.000 0.653 331 F N 2.364 122.313 119.950 -0.002 0.000 2.095 331 F HA 0.045 4.578 4.527 0.010 0.000 0.298 331 F C 2.905 178.690 175.800 -0.026 0.000 1.104 331 F CA 2.727 60.692 58.000 -0.058 0.000 1.232 331 F CB -0.166 38.776 39.000 -0.097 0.000 0.987 331 F HN 0.314 nan 8.300 nan 0.000 0.475 332 R N 0.374 121.063 120.500 0.316 0.000 2.091 332 R HA -0.188 4.158 4.340 0.010 0.000 0.238 332 R C 2.173 178.556 176.300 0.138 0.000 1.136 332 R CA 1.915 58.195 56.100 0.300 0.000 0.959 332 R CB -0.311 30.115 30.300 0.209 0.000 0.856 332 R HN 0.266 nan 8.270 nan 0.000 0.437 333 E N 0.351 120.604 120.200 0.088 0.000 2.077 333 E HA -0.255 4.101 4.350 0.010 0.000 0.193 333 E C 1.918 178.547 176.600 0.048 0.000 0.989 333 E CA 1.182 57.616 56.400 0.057 0.000 0.800 333 E CB -0.205 29.534 29.700 0.066 0.000 0.746 333 E HN 0.532 nan 8.360 nan 0.000 0.452 334 Q N 0.676 120.487 119.800 0.017 0.000 2.079 334 Q HA -0.107 4.239 4.340 0.010 0.000 0.200 334 Q C 2.308 178.370 176.000 0.104 0.000 0.974 334 Q CA 1.042 56.867 55.803 0.036 0.000 0.840 334 Q CB 0.205 28.915 28.738 -0.046 0.000 0.898 334 Q HN 0.065 nan 8.270 nan 0.000 0.430 335 V N 0.901 120.784 119.914 -0.051 0.000 2.343 335 V HA -0.292 3.834 4.120 0.010 0.000 0.247 335 V C 2.335 178.524 176.094 0.158 0.000 1.051 335 V CA 1.811 64.111 62.300 0.000 0.000 1.036 335 V CB -0.991 30.548 31.823 -0.473 0.000 0.654 335 V HN 0.494 nan 8.190 nan 0.000 0.451 336 A N 0.016 122.820 122.820 -0.026 0.000 1.883 336 A HA -0.165 4.161 4.320 0.010 0.000 0.217 336 A C 2.438 180.088 177.584 0.110 0.000 1.186 336 A CA 2.248 54.156 52.037 -0.214 0.000 0.624 336 A CB -0.888 17.822 19.000 -0.482 0.000 0.822 336 A HN 0.586 nan 8.150 nan 0.000 0.444 337 A N -1.608 121.317 122.820 0.175 0.000 1.933 337 A HA -0.164 4.162 4.320 0.010 0.000 0.218 337 A C 1.985 179.747 177.584 0.296 0.000 1.175 337 A CA 1.660 53.837 52.037 0.233 0.000 0.628 337 A CB -0.900 18.217 19.000 0.195 0.000 0.814 337 A HN 0.924 nan 8.150 nan 0.000 0.444 338 W N 0.587 121.984 121.300 0.161 0.000 2.355 338 W HA -0.125 4.540 4.660 0.008 0.000 0.309 338 W C 1.662 178.331 176.519 0.250 0.000 1.206 338 W CA 1.755 59.214 57.345 0.190 0.000 1.284 338 W CB -0.418 29.184 29.460 0.238 0.000 1.145 338 W HN 0.229 nan 8.180 nan 0.000 0.502 339 L N 0.608 121.904 121.223 0.122 0.000 2.083 339 L HA -0.219 4.127 4.340 0.010 0.000 0.209 339 L C 2.494 179.541 176.870 0.295 0.000 1.083 339 L CA 1.955 56.838 54.840 0.072 0.000 0.752 339 L CB -0.922 41.308 42.059 0.285 0.000 0.899 339 L HN 0.004 nan 8.230 nan 0.000 0.433 340 E N 0.619 121.026 120.200 0.344 0.000 2.118 340 E HA -0.239 4.117 4.350 0.010 0.000 0.195 340 E C 2.077 178.762 176.600 0.141 0.000 0.992 340 E CA 1.500 58.085 56.400 0.308 0.000 0.804 340 E CB 0.076 29.956 29.700 0.301 0.000 0.741 340 E HN 0.304 nan 8.360 nan 0.000 0.458 341 K N -0.548 119.890 120.400 0.064 0.000 2.097 341 K HA -0.101 4.225 4.320 0.010 0.000 0.205 341 K C 1.993 178.517 176.600 -0.126 0.000 1.050 341 K CA 0.908 57.188 56.287 -0.012 0.000 0.938 341 K CB -0.092 32.417 32.500 0.016 0.000 0.718 341 K HN 0.096 nan 8.250 nan 0.000 0.442 342 L N 1.239 122.334 121.223 -0.213 0.000 2.141 342 L HA -0.157 4.189 4.340 0.010 0.000 0.209 342 L C 2.373 179.034 176.870 -0.349 0.000 1.094 342 L CA 1.651 56.310 54.840 -0.301 0.000 0.763 342 L CB -0.594 41.284 42.059 -0.303 0.000 0.908 342 L HN 0.193 nan 8.230 nan 0.000 0.437 343 S N -1.482 114.100 115.700 -0.196 0.000 2.453 343 S HA -0.027 4.448 4.470 0.010 0.000 0.231 343 S C 2.000 176.464 174.600 -0.227 0.000 1.005 343 S CA 0.624 58.636 58.200 -0.313 0.000 0.949 343 S CB -0.377 62.781 63.200 -0.070 0.000 0.774 343 S HN 0.308 nan 8.310 nan 0.000 0.510 344 A N 0.868 123.594 122.820 -0.156 0.000 1.975 344 A HA 0.373 4.699 4.320 0.010 0.000 0.215 344 A C 1.379 178.868 177.584 -0.158 0.000 1.170 344 A CA 0.698 52.669 52.037 -0.110 0.000 0.656 344 A CB -0.333 18.640 19.000 -0.045 0.000 0.821 344 A HN 0.487 nan 8.150 nan 0.000 0.449 345 S N -1.785 113.777 115.700 -0.230 0.000 2.472 345 S HA 0.592 5.068 4.470 0.010 0.000 0.303 345 S C 0.872 175.243 174.600 -0.382 0.000 1.099 345 S CA -0.077 57.975 58.200 -0.246 0.000 1.077 345 S CB 1.603 64.672 63.200 -0.218 0.000 1.031 345 S HN 0.622 nan 8.310 nan 0.000 0.487 346 A N 3.730 126.351 122.820 -0.333 0.000 1.898 346 A HA 0.071 4.396 4.320 0.010 0.000 0.214 346 A C 1.874 179.237 177.584 -0.368 0.000 1.183 346 A CA 0.950 52.750 52.037 -0.395 0.000 0.622 346 A CB -0.594 18.233 19.000 -0.289 0.000 0.824 346 A HN 0.902 nan 8.150 nan 0.000 0.444 347 E N -0.357 119.680 120.200 -0.272 0.000 2.072 347 E HA -0.136 4.219 4.350 0.010 0.000 0.191 347 E C 2.000 178.410 176.600 -0.318 0.000 0.985 347 E CA 0.885 57.147 56.400 -0.230 0.000 0.801 347 E CB -0.204 29.435 29.700 -0.102 0.000 0.750 347 E HN 0.598 nan 8.360 nan 0.000 0.452 348 L N 0.767 121.695 121.223 -0.491 0.000 2.046 348 L HA -0.205 4.141 4.340 0.010 0.000 0.208 348 L C 2.790 179.431 176.870 -0.381 0.000 1.077 348 L CA 1.124 55.641 54.840 -0.539 0.000 0.747 348 L CB -0.180 41.440 42.059 -0.731 0.000 0.896 348 L HN 0.088 nan 8.230 nan 0.000 0.432 349 R N -0.585 119.627 120.500 -0.480 0.000 2.080 349 R HA -0.243 4.103 4.340 0.010 0.000 0.236 349 R C 2.350 178.252 176.300 -0.662 0.000 1.137 349 R CA 1.979 57.708 56.100 -0.618 0.000 0.943 349 R CB -0.308 29.473 30.300 -0.865 0.000 0.846 349 R HN 0.426 nan 8.270 nan 0.000 0.431 350 Q N 0.140 119.606 119.800 -0.557 0.000 2.124 350 Q HA -0.239 4.107 4.340 0.010 0.000 0.202 350 Q C 2.000 177.900 176.000 -0.166 0.000 0.977 350 Q CA 1.735 57.293 55.803 -0.407 0.000 0.850 350 Q CB 0.082 28.645 28.738 -0.291 0.000 0.901 350 Q HN 0.455 nan 8.270 nan 0.000 0.429 351 Q N -0.760 118.957 119.800 -0.138 0.000 2.172 351 Q HA -0.067 4.279 4.340 0.010 0.000 0.200 351 Q C 1.925 177.945 176.000 0.033 0.000 0.964 351 Q CA 1.212 56.989 55.803 -0.043 0.000 0.855 351 Q CB 0.227 28.930 28.738 -0.059 0.000 0.918 351 Q HN 0.236 nan 8.270 nan 0.000 0.444 352 S N -0.027 115.707 115.700 0.056 0.000 2.387 352 S HA -0.066 4.410 4.470 0.010 0.000 0.226 352 S C 1.332 176.134 174.600 0.337 0.000 1.026 352 S CA 0.649 58.977 58.200 0.214 0.000 0.972 352 S CB -0.199 63.165 63.200 0.274 0.000 0.814 352 S HN 0.346 nan 8.310 nan 0.000 0.477 353 F N 2.055 121.971 119.950 -0.057 0.000 2.171 353 F HA -0.012 4.521 4.527 0.009 0.000 0.300 353 F C 2.538 178.368 175.800 0.050 0.000 1.090 353 F CA 0.319 58.342 58.000 0.038 0.000 1.293 353 F CB -1.140 37.855 39.000 -0.010 0.000 1.013 353 F HN 0.193 nan 8.300 nan 0.000 0.486 354 A N -0.546 122.392 122.820 0.196 0.000 1.968 354 A HA -0.036 4.290 4.320 0.010 0.000 0.217 354 A C 2.393 179.967 177.584 -0.017 0.000 1.169 354 A CA 1.322 53.371 52.037 0.020 0.000 0.638 354 A CB -1.056 17.986 19.000 0.069 0.000 0.812 354 A HN 0.162 nan 8.150 nan 0.000 0.446 355 V N -0.099 119.838 119.914 0.039 0.000 2.343 355 V HA -0.241 3.885 4.120 0.010 0.000 0.247 355 V C 3.037 179.117 176.094 -0.024 0.000 1.051 355 V CA 1.844 64.150 62.300 0.010 0.000 1.036 355 V CB -1.080 30.756 31.823 0.022 0.000 0.654 355 V HN 0.598 nan 8.190 nan 0.000 0.451 356 A N -0.078 122.743 122.820 0.002 0.000 1.902 356 A HA -0.106 4.220 4.320 0.010 0.000 0.217 356 A C 2.404 179.975 177.584 -0.021 0.000 1.181 356 A CA 2.072 54.091 52.037 -0.029 0.000 0.623 356 A CB -0.686 18.365 19.000 0.085 0.000 0.818 356 A HN 0.560 nan 8.150 nan 0.000 0.443 357 A N -0.517 122.246 122.820 -0.096 0.000 1.898 357 A HA 0.081 4.406 4.320 0.010 0.000 0.216 357 A C 1.962 179.480 177.584 -0.110 0.000 1.181 357 A CA 2.029 53.944 52.037 -0.203 0.000 0.620 357 A CB -1.324 17.239 19.000 -0.729 0.000 0.819 357 A HN 0.662 nan 8.150 nan 0.000 0.442 358 D N -0.626 119.722 120.400 -0.086 0.000 2.269 358 D HA 0.366 5.012 4.640 0.010 0.000 0.208 358 D C 1.289 177.587 176.300 -0.004 0.000 0.963 358 D CA 1.111 55.091 54.000 -0.033 0.000 0.864 358 D CB -0.334 40.455 40.800 -0.019 0.000 0.936 358 D HN 0.766 nan 8.370 nan 0.000 0.505 359 A N -1.077 121.743 122.820 -0.000 0.000 3.282 359 A HA 0.618 4.944 4.320 0.010 0.000 0.287 359 A C 1.569 179.179 177.584 0.043 0.000 1.366 359 A CA 1.011 53.062 52.037 0.024 0.000 1.069 359 A CB -0.529 18.486 19.000 0.025 0.000 1.109 359 A HN 0.516 nan 8.150 nan 0.000 0.638 360 T N -2.248 112.327 114.554 0.036 0.000 2.958 360 T HA 0.432 4.788 4.350 0.010 0.000 0.256 360 T C 1.525 176.251 174.700 0.044 0.000 0.983 360 T CA 1.335 63.465 62.100 0.049 0.000 0.924 360 T CB -0.016 68.880 68.868 0.047 0.000 1.136 360 T HN 0.498 nan 8.240 nan 0.000 0.506 361 E N 1.153 121.375 120.200 0.037 0.000 2.031 361 E HA 0.092 4.448 4.350 0.010 0.000 0.193 361 E C 1.872 178.492 176.600 0.033 0.000 0.994 361 E CA 1.785 58.205 56.400 0.034 0.000 0.800 361 E CB -0.574 29.144 29.700 0.031 0.000 0.752 361 E HN 0.465 nan 8.360 nan 0.000 0.447 362 S N -2.610 113.110 115.700 0.033 0.000 3.053 362 S HA 0.230 4.706 4.470 0.010 0.000 0.255 362 S C 0.513 175.133 174.600 0.034 0.000 0.976 362 S CA -0.019 58.199 58.200 0.031 0.000 1.159 362 S CB 0.266 63.481 63.200 0.026 0.000 1.110 362 S HN 0.573 nan 8.310 nan 0.000 0.633 363 C N 2.303 121.629 119.300 0.043 0.000 2.780 363 C HA 0.367 4.833 4.460 0.010 0.000 0.287 363 C C 2.169 177.200 174.990 0.067 0.000 1.288 363 C CA 0.687 59.737 59.018 0.052 0.000 1.713 363 C CB -1.128 26.645 27.740 0.056 0.000 1.955 363 C HN 0.778 nan 8.230 nan 0.000 0.613 364 E N 0.939 121.173 120.200 0.058 0.000 2.347 364 E HA -0.131 4.224 4.350 0.010 0.000 0.196 364 E C 1.078 177.703 176.600 0.042 0.000 1.008 364 E CA 1.398 57.834 56.400 0.059 0.000 0.852 364 E CB -0.288 29.441 29.700 0.048 0.000 0.783 364 E HN 0.867 nan 8.360 nan 0.000 0.505 365 D N -1.372 119.048 120.400 0.033 0.000 2.525 365 D HA 0.141 4.787 4.640 0.010 0.000 0.229 365 D C 0.545 176.855 176.300 0.017 0.000 1.202 365 D CA -0.385 53.626 54.000 0.018 0.000 0.828 365 D CB 0.058 40.865 40.800 0.013 0.000 1.008 365 D HN 0.277 nan 8.370 nan 0.000 0.493 366 R N 0.963 121.486 120.500 0.039 0.000 2.522 366 R HA 0.082 4.428 4.340 0.010 0.000 0.314 366 R C 1.036 177.395 176.300 0.098 0.000 1.178 366 R CA 0.003 56.129 56.100 0.043 0.000 1.294 366 R CB 0.446 30.765 30.300 0.032 0.000 1.345 366 R HN -0.016 nan 8.270 nan 0.000 0.710 367 V N -2.064 117.919 119.914 0.115 0.000 2.688 367 V HA -0.121 4.005 4.120 0.010 0.000 0.256 367 V C 2.106 178.379 176.094 0.297 0.000 1.084 367 V CA 1.880 64.321 62.300 0.235 0.000 1.103 367 V CB -0.602 31.247 31.823 0.043 0.000 0.688 367 V HN 0.375 nan 8.190 nan 0.000 0.480 368 A N 1.064 123.988 122.820 0.174 0.000 1.883 368 A HA -0.169 4.157 4.320 0.010 0.000 0.217 368 A C 2.177 179.856 177.584 0.159 0.000 1.186 368 A CA 2.298 54.441 52.037 0.176 0.000 0.624 368 A CB -0.686 18.294 19.000 -0.034 0.000 0.822 368 A HN 0.590 nan 8.150 nan 0.000 0.444 369 L N -0.093 121.174 121.223 0.074 0.000 2.027 369 L HA -0.105 4.241 4.340 0.010 0.000 0.206 369 L C 2.492 179.426 176.870 0.107 0.000 1.074 369 L CA 2.926 57.801 54.840 0.059 0.000 0.745 369 L CB -1.156 40.923 42.059 0.033 0.000 0.898 369 L HN 0.414 nan 8.230 nan 0.000 0.433 370 T N -0.750 113.898 114.554 0.157 0.000 2.684 370 T HA -0.287 4.069 4.350 0.010 0.000 0.267 370 T C 1.561 176.309 174.700 0.079 0.000 1.036 370 T CA 1.787 63.948 62.100 0.101 0.000 1.148 370 T CB -0.807 68.154 68.868 0.154 0.000 0.863 370 T HN 0.644 nan 8.240 nan 0.000 0.436 371 W N 2.517 123.886 121.300 0.116 0.000 2.358 371 W HA -0.127 4.538 4.660 0.008 0.000 0.303 371 W C 1.759 178.272 176.519 -0.010 0.000 1.208 371 W CA 1.085 58.469 57.345 0.066 0.000 1.274 371 W CB -0.561 29.029 29.460 0.217 0.000 1.138 371 W HN 0.353 nan 8.180 nan 0.000 0.515 372 N N 0.437 119.124 118.700 -0.022 0.000 2.223 372 N HA -0.210 4.536 4.740 0.010 0.000 0.185 372 N C 1.225 176.668 175.510 -0.112 0.000 1.016 372 N CA 1.564 54.559 53.050 -0.093 0.000 0.863 372 N CB -0.420 38.116 38.487 0.082 0.000 0.983 372 N HN 0.365 nan 8.380 nan 0.000 0.429 373 N N 0.380 119.036 118.700 -0.075 0.000 2.354 373 N HA 0.039 4.785 4.740 0.010 0.000 0.179 373 N C 1.498 176.939 175.510 -0.115 0.000 1.021 373 N CA 0.264 53.285 53.050 -0.050 0.000 0.887 373 N CB 0.185 38.665 38.487 -0.012 0.000 0.974 373 N HN 0.132 nan 8.380 nan 0.000 0.437 374 L N 0.440 121.517 121.223 -0.242 0.000 2.156 374 L HA -0.015 4.331 4.340 0.010 0.000 0.208 374 L C 2.351 179.016 176.870 -0.341 0.000 1.095 374 L CA 0.758 55.450 54.840 -0.246 0.000 0.770 374 L CB -0.137 41.713 42.059 -0.349 0.000 0.914 374 L HN 0.126 nan 8.230 nan 0.000 0.439 375 R N 0.081 120.221 120.500 -0.599 0.000 2.092 375 R HA -0.160 4.185 4.340 0.010 0.000 0.231 375 R C 2.316 178.549 176.300 -0.112 0.000 1.119 375 R CA 1.075 56.916 56.100 -0.431 0.000 0.970 375 R CB -0.113 29.876 30.300 -0.519 0.000 0.864 375 R HN 0.243 nan 8.270 nan 0.000 0.440 376 K N 0.189 120.555 120.400 -0.057 0.000 2.032 376 K HA -0.137 4.189 4.320 0.010 0.000 0.209 376 K C 1.665 178.248 176.600 -0.028 0.000 1.048 376 K CA 1.977 58.276 56.287 0.021 0.000 0.927 376 K CB -0.009 32.531 32.500 0.066 0.000 0.712 376 K HN 0.099 nan 8.250 nan 0.000 0.441 377 T N 2.053 116.598 114.554 -0.015 0.000 2.788 377 T HA -0.164 4.192 4.350 0.010 0.000 0.268 377 T C 1.702 176.439 174.700 0.062 0.000 1.044 377 T CA 1.173 63.282 62.100 0.015 0.000 1.139 377 T CB -0.199 68.694 68.868 0.041 0.000 0.867 377 T HN 0.155 nan 8.240 nan 0.000 0.454 378 L N 0.933 122.218 121.223 0.103 0.000 2.017 378 L HA 0.016 4.362 4.340 0.010 0.000 0.208 378 L C 2.115 179.063 176.870 0.131 0.000 1.073 378 L CA 1.492 56.428 54.840 0.160 0.000 0.745 378 L CB -0.865 41.329 42.059 0.226 0.000 0.894 378 L HN 0.138 nan 8.230 nan 0.000 0.432 379 L N -1.073 120.199 121.223 0.081 0.000 2.046 379 L HA -0.178 4.168 4.340 0.010 0.000 0.208 379 L C 2.636 179.503 176.870 -0.005 0.000 1.077 379 L CA 1.472 56.355 54.840 0.071 0.000 0.747 379 L CB -1.280 40.797 42.059 0.031 0.000 0.896 379 L HN 0.164 nan 8.230 nan 0.000 0.432 380 V N -0.787 119.078 119.914 -0.082 0.000 2.295 380 V HA -0.331 3.794 4.120 0.010 0.000 0.246 380 V C 2.546 178.613 176.094 -0.045 0.000 1.049 380 V CA 1.989 64.213 62.300 -0.127 0.000 1.024 380 V CB -0.809 30.928 31.823 -0.143 0.000 0.648 380 V HN 0.513 nan 8.190 nan 0.000 0.447 381 H N 0.225 119.251 119.070 -0.073 0.000 2.352 381 H HA -0.197 4.365 4.556 0.009 0.000 0.299 381 H C 2.362 177.654 175.328 -0.060 0.000 1.097 381 H CA 2.332 58.341 56.048 -0.066 0.000 1.311 381 H CB -0.058 29.674 29.762 -0.049 0.000 1.377 381 H HN 0.497 nan 8.280 nan 0.000 0.504 382 Q N -0.533 119.238 119.800 -0.049 0.000 2.079 382 Q HA -0.068 4.278 4.340 0.010 0.000 0.200 382 Q C 2.578 178.492 176.000 -0.143 0.000 0.974 382 Q CA 1.155 56.890 55.803 -0.114 0.000 0.840 382 Q CB -0.092 28.634 28.738 -0.019 0.000 0.898 382 Q HN 0.601 nan 8.270 nan 0.000 0.430 383 A N 1.112 123.921 122.820 -0.019 0.000 1.877 383 A HA -0.216 4.109 4.320 0.010 0.000 0.216 383 A C 2.231 179.766 177.584 -0.082 0.000 1.186 383 A CA 1.862 53.934 52.037 0.059 0.000 0.620 383 A CB -0.836 18.225 19.000 0.101 0.000 0.822 383 A HN 0.463 nan 8.150 nan 0.000 0.443 384 S N -0.070 115.538 115.700 -0.153 0.000 2.469 384 S HA -0.098 4.378 4.470 0.010 0.000 0.238 384 S C 0.889 175.370 174.600 -0.199 0.000 0.998 384 S CA 1.219 59.306 58.200 -0.188 0.000 0.957 384 S CB -0.349 62.735 63.200 -0.194 0.000 0.764 384 S HN 0.647 nan 8.310 nan 0.000 0.514 385 E N 0.824 120.886 120.200 -0.229 0.000 2.499 385 E HA 0.336 4.692 4.350 0.010 0.000 0.207 385 E C 0.730 177.226 176.600 -0.174 0.000 1.034 385 E CA -0.025 56.246 56.400 -0.215 0.000 1.098 385 E CB 0.026 29.559 29.700 -0.278 0.000 1.148 385 E HN 0.635 nan 8.360 nan 0.000 0.447 386 G N 1.699 110.411 108.800 -0.147 0.000 2.160 386 G HA2 -0.305 3.661 3.960 0.010 0.000 0.251 386 G HA3 -0.305 3.661 3.960 0.010 0.000 0.251 386 G C 0.739 175.539 174.900 -0.166 0.000 1.008 386 G CA 0.309 45.339 45.100 -0.118 0.000 0.724 386 G HN 0.405 nan 8.290 nan 0.000 0.514 387 L N -1.036 120.007 121.223 -0.299 0.000 2.456 387 L HA 0.375 4.720 4.340 0.010 0.000 0.224 387 L C 0.681 177.108 176.870 -0.738 0.000 1.148 387 L CA 1.275 55.770 54.840 -0.574 0.000 0.825 387 L CB -0.051 41.511 42.059 -0.829 0.000 0.937 387 L HN 0.256 nan 8.230 nan 0.000 0.450 388 F N -0.486 119.474 119.950 0.017 0.000 2.531 388 F HA 0.462 4.994 4.527 0.008 0.000 0.333 388 F C -0.571 175.263 175.800 0.057 0.000 1.292 388 F CA -1.063 56.972 58.000 0.058 0.000 1.184 388 F CB 0.413 39.473 39.000 0.100 0.000 1.426 388 F HN -0.211 nan 8.300 nan 0.000 0.559 389 D N 1.002 121.492 120.400 0.149 0.000 2.795 389 D HA 0.020 4.665 4.640 0.010 0.000 0.206 389 D C -1.182 175.159 176.300 0.070 0.000 1.278 389 D CA -0.442 53.626 54.000 0.113 0.000 0.839 389 D CB 1.547 42.393 40.800 0.076 0.000 1.700 389 D HN 0.294 nan 8.370 nan 0.000 0.549 390 N N 2.416 121.160 118.700 0.074 0.000 2.448 390 N HA 0.097 4.843 4.740 0.010 0.000 0.250 390 N C -0.946 174.639 175.510 0.125 0.000 1.136 390 N CA 0.246 53.356 53.050 0.099 0.000 0.953 390 N CB 0.457 38.989 38.487 0.076 0.000 1.251 390 N HN 0.176 nan 8.380 nan 0.000 0.502 391 D N 2.595 123.105 120.400 0.183 0.000 3.216 391 D HA 0.098 4.744 4.640 0.010 0.000 0.348 391 D C 0.536 176.989 176.300 0.254 0.000 1.407 391 D CA -0.181 53.953 54.000 0.223 0.000 0.744 391 D CB 0.612 41.583 40.800 0.284 0.000 1.264 391 D HN 0.430 nan 8.370 nan 0.000 0.543 392 T N -1.756 112.923 114.554 0.209 0.000 2.951 392 T HA -0.011 4.345 4.350 0.010 0.000 0.268 392 T C 1.900 176.668 174.700 0.114 0.000 1.073 392 T CA 1.079 63.307 62.100 0.214 0.000 1.134 392 T CB 0.317 69.330 68.868 0.243 0.000 0.884 392 T HN 0.305 nan 8.240 nan 0.000 0.479 393 G N 1.053 109.907 108.800 0.089 0.000 2.408 393 G HA2 0.107 4.073 3.960 0.010 0.000 0.215 393 G HA3 0.107 4.073 3.960 0.010 0.000 0.215 393 G C 1.784 176.711 174.900 0.046 0.000 1.156 393 G CA 0.622 45.745 45.100 0.038 0.000 0.793 393 G HN 0.552 nan 8.290 nan 0.000 0.535 394 A N 0.558 123.439 122.820 0.103 0.000 1.930 394 A HA 0.158 4.483 4.320 0.010 0.000 0.217 394 A C 2.255 179.895 177.584 0.093 0.000 1.175 394 A CA 1.057 53.173 52.037 0.131 0.000 0.627 394 A CB -0.387 18.748 19.000 0.225 0.000 0.815 394 A HN 0.327 nan 8.150 nan 0.000 0.443 395 L N -0.931 120.302 121.223 0.017 0.000 2.141 395 L HA -0.097 4.249 4.340 0.010 0.000 0.209 395 L C 2.328 179.268 176.870 0.116 0.000 1.094 395 L CA 1.490 56.238 54.840 -0.153 0.000 0.763 395 L CB -0.479 41.432 42.059 -0.248 0.000 0.908 395 L HN 0.408 nan 8.230 nan 0.000 0.437 396 L N -0.649 120.575 121.223 0.002 0.000 2.044 396 L HA -0.138 4.208 4.340 0.010 0.000 0.205 396 L C 2.669 179.506 176.870 -0.054 0.000 1.075 396 L CA 1.574 56.312 54.840 -0.169 0.000 0.747 396 L CB -0.569 41.335 42.059 -0.258 0.000 0.903 396 L HN 0.090 nan 8.230 nan 0.000 0.435 397 S N -0.717 114.964 115.700 -0.030 0.000 2.359 397 S HA -0.146 4.330 4.470 0.010 0.000 0.224 397 S C 1.827 176.427 174.600 -0.001 0.000 1.035 397 S CA 1.216 59.394 58.200 -0.038 0.000 1.018 397 S CB -0.401 62.795 63.200 -0.006 0.000 0.876 397 S HN 0.315 nan 8.310 nan 0.000 0.448 398 L N 1.435 122.709 121.223 0.086 0.000 2.083 398 L HA -0.053 4.293 4.340 0.010 0.000 0.209 398 L C 2.470 179.434 176.870 0.156 0.000 1.083 398 L CA 1.967 56.902 54.840 0.159 0.000 0.752 398 L CB -1.943 40.264 42.059 0.247 0.000 0.899 398 L HN 0.419 nan 8.230 nan 0.000 0.433 399 G N -0.384 108.514 108.800 0.162 0.000 2.446 399 G HA2 -0.294 3.672 3.960 0.010 0.000 0.217 399 G HA3 -0.294 3.672 3.960 0.010 0.000 0.217 399 G C 1.727 176.685 174.900 0.097 0.000 1.168 399 G CA 0.588 45.688 45.100 -0.001 0.000 0.771 399 G HN 0.344 nan 8.290 nan 0.000 0.551 400 R N 0.681 121.128 120.500 -0.088 0.000 2.091 400 R HA -0.007 4.339 4.340 0.010 0.000 0.238 400 R C 1.650 177.789 176.300 -0.270 0.000 1.136 400 R CA 0.896 56.703 56.100 -0.488 0.000 0.959 400 R CB -0.275 29.655 30.300 -0.616 0.000 0.856 400 R HN 0.540 nan 8.270 nan 0.000 0.437 404 R N 1.026 121.261 120.500 -0.442 0.000 2.091 404 R HA -0.063 4.283 4.340 0.010 0.000 0.238 404 R C 1.929 178.079 176.300 -0.249 0.000 1.136 404 R CA 2.127 57.991 56.100 -0.394 0.000 0.959 404 R CB -0.586 29.554 30.300 -0.267 0.000 0.856 404 R HN 0.347 nan 8.270 nan 0.000 0.437 405 L N 0.359 121.515 121.223 -0.111 0.000 2.141 405 L HA -0.156 4.190 4.340 0.010 0.000 0.209 405 L C 2.571 179.492 176.870 0.086 0.000 1.094 405 L CA 1.172 56.057 54.840 0.074 0.000 0.763 405 L CB -0.334 41.821 42.059 0.161 0.000 0.908 405 L HN 0.302 nan 8.230 nan 0.000 0.437 406 E N 0.759 120.926 120.200 -0.056 0.000 2.106 406 E HA -0.212 4.144 4.350 0.010 0.000 0.192 406 E C 2.295 178.801 176.600 -0.156 0.000 0.984 406 E CA 1.012 57.377 56.400 -0.059 0.000 0.806 406 E CB 0.038 29.735 29.700 -0.004 0.000 0.750 406 E HN 0.470 nan 8.360 nan 0.000 0.458 407 I N 0.823 121.189 120.570 -0.339 0.000 2.202 407 I HA -0.283 3.892 4.170 0.010 0.000 0.242 407 I C 2.355 178.359 176.117 -0.188 0.000 1.091 407 I CA 0.847 61.939 61.300 -0.346 0.000 1.368 407 I CB -0.151 37.517 38.000 -0.553 0.000 1.058 407 I HN 0.197 nan 8.210 nan 0.000 0.410 408 L N 0.464 121.622 121.223 -0.108 0.000 2.083 408 L HA -0.224 4.122 4.340 0.010 0.000 0.209 408 L C 2.608 179.575 176.870 0.161 0.000 1.083 408 L CA 1.453 56.309 54.840 0.028 0.000 0.752 408 L CB -0.625 41.532 42.059 0.164 0.000 0.899 408 L HN 0.304 nan 8.230 nan 0.000 0.433 409 E N 0.547 120.762 120.200 0.025 0.000 2.077 409 E HA -0.252 4.104 4.350 0.010 0.000 0.193 409 E C 1.680 178.214 176.600 -0.111 0.000 0.989 409 E CA 1.765 57.997 56.400 -0.279 0.000 0.800 409 E CB -0.211 29.222 29.700 -0.446 0.000 0.746 409 E HN 0.345 nan 8.360 nan 0.000 0.452 410 D N 0.360 120.715 120.400 -0.075 0.000 2.106 410 D HA -0.183 4.463 4.640 0.010 0.000 0.191 410 D C 2.142 178.429 176.300 -0.021 0.000 0.997 410 D CA 1.803 55.775 54.000 -0.047 0.000 0.834 410 D CB -0.282 40.483 40.800 -0.057 0.000 0.956 410 D HN 0.345 nan 8.370 nan 0.000 0.448 411 I N 1.337 121.893 120.570 -0.024 0.000 2.179 411 I HA -0.274 3.902 4.170 0.010 0.000 0.242 411 I C 2.604 178.818 176.117 0.162 0.000 1.088 411 I CA 1.136 62.439 61.300 0.004 0.000 1.357 411 I CB -0.251 37.659 38.000 -0.150 0.000 1.051 411 I HN -0.079 nan 8.210 nan 0.000 0.409 412 A N 0.589 123.574 122.820 0.274 0.000 1.883 412 A HA -0.248 4.078 4.320 0.010 0.000 0.217 412 A C 2.462 180.097 177.584 0.086 0.000 1.186 412 A CA 1.593 53.792 52.037 0.270 0.000 0.624 412 A CB -0.602 18.547 19.000 0.249 0.000 0.822 412 A HN 0.251 nan 8.150 nan 0.000 0.444 413 R N -0.213 120.302 120.500 0.025 0.000 2.096 413 R HA -0.165 4.181 4.340 0.010 0.000 0.235 413 R C 1.687 177.985 176.300 -0.003 0.000 1.127 413 R CA 1.971 58.066 56.100 -0.007 0.000 0.968 413 R CB -0.742 29.545 30.300 -0.023 0.000 0.861 413 R HN 0.626 nan 8.270 nan 0.000 0.440 414 D N 0.063 120.469 120.400 0.010 0.000 2.097 414 D HA -0.157 4.488 4.640 0.010 0.000 0.195 414 D C 1.897 178.198 176.300 0.000 0.000 0.989 414 D CA 1.454 55.455 54.000 0.002 0.000 0.827 414 D CB 0.061 40.863 40.800 0.004 0.000 0.966 414 D HN 0.127 nan 8.370 nan 0.000 0.456 415 K N -0.384 120.032 120.400 0.027 0.000 2.148 415 K HA -0.062 4.264 4.320 0.010 0.000 0.204 415 K C 1.709 178.290 176.600 -0.031 0.000 1.050 415 K CA 0.746 57.043 56.287 0.016 0.000 0.942 415 K CB 0.026 32.568 32.500 0.069 0.000 0.724 415 K HN 0.048 nan 8.250 nan 0.000 0.446 416 V N 0.501 120.393 119.914 -0.037 0.000 3.471 416 V HA 0.020 4.146 4.120 0.010 0.000 0.258 416 V C 2.092 178.128 176.094 -0.098 0.000 1.192 416 V CA 0.555 62.812 62.300 -0.073 0.000 1.116 416 V CB -0.281 31.505 31.823 -0.061 0.000 0.792 416 V HN 0.300 nan 8.190 nan 0.000 0.459 417 R N 0.437 120.892 120.500 -0.075 0.000 2.154 417 R HA -0.192 4.154 4.340 0.010 0.000 0.248 417 R C 2.090 178.315 176.300 -0.124 0.000 1.155 417 R CA 2.295 58.350 56.100 -0.075 0.000 0.979 417 R CB -0.134 30.137 30.300 -0.048 0.000 0.869 417 R HN 0.730 nan 8.270 nan 0.000 0.452 418 T N -2.723 111.730 114.554 -0.168 0.000 3.023 418 T HA 0.163 4.519 4.350 0.010 0.000 0.249 418 T C 0.470 174.872 174.700 -0.496 0.000 1.050 418 T CA -0.397 61.547 62.100 -0.260 0.000 1.088 418 T CB 0.211 68.973 68.868 -0.177 0.000 0.946 418 T HN -0.107 nan 8.240 nan 0.000 0.480 419 L N 2.336 123.336 121.223 -0.372 0.000 2.416 419 L HA 0.334 4.680 4.340 0.010 0.000 0.272 419 L C 1.039 177.635 176.870 -0.457 0.000 1.161 419 L CA 0.401 55.002 54.840 -0.398 0.000 0.845 419 L CB 0.589 42.529 42.059 -0.199 0.000 1.119 419 L HN 0.288 nan 8.230 nan 0.000 0.464 420 H N 1.953 120.813 119.070 -0.350 0.000 2.639 420 H HA 0.148 4.710 4.556 0.010 0.000 0.267 420 H C 0.459 175.612 175.328 -0.293 0.000 0.958 420 H CA 0.451 56.248 56.048 -0.418 0.000 1.221 420 H CB 0.362 29.725 29.762 -0.665 0.000 1.446 420 H HN 0.453 nan 8.280 nan 0.000 0.512 421 F N 0.641 120.616 119.950 0.042 0.000 2.641 421 F HA 0.275 4.807 4.527 0.009 0.000 0.302 421 F C -0.064 175.743 175.800 0.013 0.000 1.098 421 F CA -0.392 57.614 58.000 0.009 0.000 1.318 421 F CB 0.386 39.385 39.000 -0.003 0.000 1.035 421 F HN -0.183 nan 8.300 nan 0.000 0.551 422 V N -0.432 119.548 119.914 0.111 0.000 2.808 422 V HA 0.325 4.451 4.120 0.010 0.000 0.308 422 V C -0.634 175.444 176.094 -0.027 0.000 1.099 422 V CA -1.290 61.021 62.300 0.019 0.000 0.920 422 V CB 2.531 34.299 31.823 -0.092 0.000 1.014 422 V HN -0.158 nan 8.190 nan 0.000 0.425 423 D N 1.840 122.215 120.400 -0.042 0.000 2.264 423 D HA 0.187 4.833 4.640 0.010 0.000 0.249 423 D C 0.973 177.234 176.300 -0.066 0.000 1.070 423 D CA -0.239 53.730 54.000 -0.051 0.000 0.912 423 D CB 2.217 42.982 40.800 -0.059 0.000 1.193 423 D HN 0.816 nan 8.370 nan 0.000 0.427 424 E N 1.490 121.662 120.200 -0.045 0.000 2.097 424 E HA -0.200 4.156 4.350 0.010 0.000 0.196 424 E C 1.835 178.439 176.600 0.006 0.000 1.000 424 E CA 1.016 57.399 56.400 -0.028 0.000 0.804 424 E CB 0.109 29.796 29.700 -0.021 0.000 0.740 424 E HN 0.412 nan 8.360 nan 0.000 0.454 425 I N 1.530 122.104 120.570 0.006 0.000 2.248 425 I HA -0.283 3.893 4.170 0.010 0.000 0.248 425 I C 2.290 178.394 176.117 -0.022 0.000 1.107 425 I CA 1.440 62.759 61.300 0.031 0.000 1.373 425 I CB -0.986 36.966 38.000 -0.080 0.000 1.055 425 I HN 0.292 nan 8.210 nan 0.000 0.418 426 E N 0.544 120.693 120.200 -0.085 0.000 2.058 426 E HA -0.181 4.175 4.350 0.010 0.000 0.194 426 E C 2.384 178.889 176.600 -0.159 0.000 0.997 426 E CA 1.240 57.566 56.400 -0.123 0.000 0.801 426 E CB -0.321 29.274 29.700 -0.174 0.000 0.746 426 E HN 0.343 nan 8.360 nan 0.000 0.450 427 V N 0.708 120.505 119.914 -0.194 0.000 2.379 427 V HA -0.225 3.900 4.120 0.010 0.000 0.245 427 V C 2.213 178.074 176.094 -0.389 0.000 1.044 427 V CA 1.543 63.620 62.300 -0.373 0.000 1.036 427 V CB -0.624 31.008 31.823 -0.319 0.000 0.664 427 V HN 0.213 nan 8.190 nan 0.000 0.453 428 Y N 0.592 120.776 120.300 -0.193 0.000 2.200 428 Y HA -0.130 4.427 4.550 0.011 0.000 0.290 428 Y C 2.148 178.067 175.900 0.031 0.000 1.137 428 Y CA 1.331 59.434 58.100 0.005 0.000 1.163 428 Y CB -0.312 38.192 38.460 0.072 0.000 0.988 428 Y HN 0.136 nan 8.280 nan 0.000 0.518 429 L N -0.711 120.467 121.223 -0.074 0.000 2.093 429 L HA -0.153 4.193 4.340 0.010 0.000 0.208 429 L C 2.738 179.565 176.870 -0.071 0.000 1.085 429 L CA 0.945 55.720 54.840 -0.108 0.000 0.755 429 L CB -0.993 41.044 42.059 -0.038 0.000 0.904 429 L HN 0.264 nan 8.230 nan 0.000 0.435 430 A N 0.451 123.215 122.820 -0.093 0.000 1.865 430 A HA -0.240 4.086 4.320 0.010 0.000 0.217 430 A C 2.138 179.699 177.584 -0.040 0.000 1.191 430 A CA 1.624 53.619 52.037 -0.069 0.000 0.623 430 A CB -1.030 17.871 19.000 -0.166 0.000 0.826 430 A HN 0.320 nan 8.150 nan 0.000 0.444 431 F N -0.267 119.670 119.950 -0.022 0.000 2.091 431 F HA -0.303 4.230 4.527 0.009 0.000 0.299 431 F C 2.930 178.669 175.800 -0.102 0.000 1.103 431 F CA 1.553 59.525 58.000 -0.047 0.000 1.228 431 F CB -0.389 38.607 39.000 -0.007 0.000 0.984 431 F HN 0.307 nan 8.300 nan 0.000 0.477 432 Q N -0.470 119.350 119.800 0.035 0.000 2.030 432 Q HA -0.162 4.184 4.340 0.010 0.000 0.204 432 Q C 1.415 177.376 176.000 -0.065 0.000 0.986 432 Q CA 1.512 57.268 55.803 -0.078 0.000 0.843 432 Q CB -0.462 28.154 28.738 -0.203 0.000 0.904 432 Q HN 0.237 nan 8.270 nan 0.000 0.420 436 A N 0.852 123.635 122.820 -0.063 0.000 1.892 436 A HA -0.254 4.071 4.320 0.010 0.000 0.218 436 A C 1.995 179.546 177.584 -0.056 0.000 1.188 436 A CA 2.413 54.415 52.037 -0.058 0.000 0.631 436 A CB -0.300 18.669 19.000 -0.051 0.000 0.822 436 A HN 0.543 nan 8.150 nan 0.000 0.447 437 E N -0.245 119.921 120.200 -0.057 0.000 2.031 437 E HA -0.235 4.121 4.350 0.010 0.000 0.193 437 E C 2.048 178.615 176.600 -0.054 0.000 0.994 437 E CA 1.559 57.929 56.400 -0.051 0.000 0.800 437 E CB -0.149 29.521 29.700 -0.050 0.000 0.752 437 E HN 0.606 nan 8.360 nan 0.000 0.447 438 K N -0.021 120.344 120.400 -0.060 0.000 2.057 438 K HA -0.044 4.282 4.320 0.010 0.000 0.206 438 K C 1.894 178.449 176.600 -0.075 0.000 1.050 438 K CA 1.006 57.255 56.287 -0.063 0.000 0.935 438 K CB 0.018 32.480 32.500 -0.063 0.000 0.715 438 K HN 0.191 nan 8.250 nan 0.000 0.439 439 L N 0.799 121.973 121.223 -0.083 0.000 2.629 439 L HA 0.079 4.425 4.340 0.010 0.000 0.230 439 L C -0.103 176.711 176.870 -0.094 0.000 1.151 439 L CA -0.042 54.737 54.840 -0.100 0.000 0.924 439 L CB -0.102 41.887 42.059 -0.117 0.000 1.137 439 L HN 0.238 nan 8.230 nan 0.000 0.457 440 Q N 1.066 120.821 119.800 -0.074 0.000 2.435 440 Q HA -0.196 4.150 4.340 0.010 0.000 0.312 440 Q C -0.560 175.406 176.000 -0.055 0.000 1.333 440 Q CA 0.344 56.110 55.803 -0.062 0.000 0.883 440 Q CB -1.089 27.610 28.738 -0.066 0.000 1.170 440 Q HN 0.495 nan 8.270 nan 0.000 0.443 441 L N 0.468 121.661 121.223 -0.050 0.000 2.352 441 L HA 0.167 4.513 4.340 0.010 0.000 0.272 441 L C 1.603 178.465 176.870 -0.014 0.000 1.109 441 L CA 0.149 54.967 54.840 -0.036 0.000 0.952 441 L CB 0.617 42.650 42.059 -0.043 0.000 1.314 441 L HN 0.284 nan 8.230 nan 0.000 0.427 442 S N -0.021 115.679 115.700 -0.000 0.000 2.368 442 S HA -0.184 4.292 4.470 0.010 0.000 0.225 442 S C 1.762 176.381 174.600 0.031 0.000 1.030 442 S CA 1.472 59.682 58.200 0.016 0.000 0.999 442 S CB -0.471 62.745 63.200 0.027 0.000 0.844 442 S HN 0.712 nan 8.310 nan 0.000 0.459 443 T N -0.216 114.364 114.554 0.043 0.000 3.129 443 T HA 0.569 4.925 4.350 0.010 0.000 0.251 443 T C 0.557 175.288 174.700 0.051 0.000 1.117 443 T CA 0.125 62.261 62.100 0.060 0.000 1.034 443 T CB -0.454 68.466 68.868 0.087 0.000 0.968 443 T HN 0.605 nan 8.240 nan 0.000 0.526 444 A N 1.466 124.302 122.820 0.027 0.000 2.425 444 A HA 0.551 4.877 4.320 0.010 0.000 0.249 444 A C 0.364 177.956 177.584 0.012 0.000 1.084 444 A CA -0.564 51.479 52.037 0.010 0.000 0.781 444 A CB 0.218 19.203 19.000 -0.024 0.000 1.019 444 A HN 0.379 nan 8.150 nan 0.000 0.490 445 V N 3.705 123.628 119.914 0.016 0.000 2.479 445 V HA 0.087 4.213 4.120 0.010 0.000 0.281 445 V C 0.578 176.690 176.094 0.032 0.000 1.031 445 V CA 0.342 62.667 62.300 0.041 0.000 1.038 445 V CB 0.320 32.211 31.823 0.113 0.000 0.981 445 V HN 0.766 nan 8.190 nan 0.000 0.478 446 K N 5.482 125.902 120.400 0.034 0.000 2.356 446 K HA 0.261 4.587 4.320 0.010 0.000 0.243 446 K C 0.572 177.200 176.600 0.047 0.000 1.072 446 K CA -0.273 56.022 56.287 0.015 0.000 1.014 446 K CB 0.995 33.491 32.500 -0.006 0.000 1.523 446 K HN 0.923 nan 8.250 nan 0.000 0.455 450 F N -1.447 118.473 119.950 -0.050 0.000 2.748 450 F HA -0.329 4.203 4.527 0.009 0.000 0.370 450 F C 0.962 176.756 175.800 -0.010 0.000 0.620 450 F CA 1.204 59.186 58.000 -0.031 0.000 1.233 450 F CB -1.766 37.236 39.000 0.002 0.000 1.708 450 F HN 0.695 nan 8.300 nan 0.000 0.298 451 Y N -0.407 119.941 120.300 0.080 0.000 2.529 451 Y HA 0.536 5.093 4.550 0.011 0.000 0.290 451 Y C 1.505 177.407 175.900 0.003 0.000 1.177 451 Y CA 0.240 58.353 58.100 0.021 0.000 1.305 451 Y CB -0.741 37.717 38.460 -0.003 0.000 1.047 451 Y HN 0.067 nan 8.280 nan 0.000 0.522 452 G N 2.022 110.669 108.800 -0.255 0.000 3.455 452 G HA2 0.328 4.294 3.960 0.010 0.000 0.250 452 G HA3 0.328 4.294 3.960 0.010 0.000 0.250 452 G C -0.417 174.497 174.900 0.025 0.000 1.071 452 G CA -0.327 44.678 45.100 -0.158 0.000 1.812 452 G HN 0.178 nan 8.290 nan 0.000 0.643 453 V N 0.833 120.764 119.914 0.028 0.000 2.637 453 V HA 0.104 4.230 4.120 0.010 0.000 0.296 453 V C 0.949 177.060 176.094 0.028 0.000 1.046 453 V CA -0.298 61.985 62.300 -0.028 0.000 1.066 453 V CB 1.269 32.947 31.823 -0.241 0.000 0.968 453 V HN 0.404 nan 8.190 nan 0.000 0.483 454 S N 3.602 119.413 115.700 0.185 0.000 2.525 454 S HA 0.377 4.853 4.470 0.010 0.000 0.285 454 S C 1.312 175.922 174.600 0.017 0.000 1.283 454 S CA 0.554 58.830 58.200 0.126 0.000 1.072 454 S CB 0.450 63.778 63.200 0.214 0.000 0.867 454 S HN 1.533 nan 8.310 nan 0.000 0.492 455 G N 2.111 110.920 108.800 0.016 0.000 2.179 455 G HA2 -0.249 3.716 3.960 0.010 0.000 0.260 455 G HA3 -0.249 3.716 3.960 0.010 0.000 0.260 455 G C 0.131 175.028 174.900 -0.004 0.000 0.977 455 G CA 0.038 45.140 45.100 0.003 0.000 0.641 455 G HN 0.706 nan 8.290 nan 0.000 0.533 456 V N 2.848 122.750 119.914 -0.019 0.000 2.408 456 V HA 0.568 4.693 4.120 0.010 0.000 0.267 456 V C 1.085 177.199 176.094 0.034 0.000 1.047 456 V CA 0.396 62.696 62.300 -0.001 0.000 0.937 456 V CB 0.878 32.658 31.823 -0.072 0.000 0.999 456 V HN 0.675 nan 8.190 nan 0.000 0.472 457 T N 2.455 117.042 114.554 0.055 0.000 2.923 457 T HA 0.627 4.983 4.350 0.010 0.000 0.281 457 T C 1.345 176.082 174.700 0.063 0.000 0.995 457 T CA -0.040 62.089 62.100 0.048 0.000 0.985 457 T CB 1.813 70.701 68.868 0.035 0.000 1.114 457 T HN 0.571 nan 8.240 nan 0.000 0.548 458 A N 0.708 123.556 122.820 0.046 0.000 1.933 458 A HA -0.112 4.214 4.320 0.010 0.000 0.218 458 A C 2.228 179.834 177.584 0.036 0.000 1.175 458 A CA 2.087 54.149 52.037 0.042 0.000 0.628 458 A CB -1.513 17.503 19.000 0.026 0.000 0.814 458 A HN 0.930 nan 8.150 nan 0.000 0.444 459 N N 0.073 118.790 118.700 0.029 0.000 2.166 459 N HA -0.155 4.591 4.740 0.010 0.000 0.186 459 N C 1.251 176.775 175.510 0.022 0.000 1.019 459 N CA 1.678 54.738 53.050 0.017 0.000 0.856 459 N CB -0.194 38.300 38.487 0.012 0.000 0.993 459 N HN 0.434 nan 8.380 nan 0.000 0.426 460 D N -0.046 120.387 120.400 0.055 0.000 2.104 460 D HA -0.145 4.501 4.640 0.010 0.000 0.194 460 D C 1.828 178.168 176.300 0.068 0.000 0.994 460 D CA 0.748 54.799 54.000 0.086 0.000 0.830 460 D CB -0.285 40.623 40.800 0.180 0.000 0.959 460 D HN 0.208 nan 8.370 nan 0.000 0.452 461 L N 0.936 122.228 121.223 0.115 0.000 1.971 461 L HA -0.190 4.155 4.340 0.010 0.000 0.215 461 L C 2.547 179.398 176.870 -0.031 0.000 1.072 461 L CA 1.486 56.373 54.840 0.080 0.000 0.758 461 L CB -1.103 41.015 42.059 0.099 0.000 0.889 461 L HN -0.017 nan 8.230 nan 0.000 0.433 462 R N -0.851 119.635 120.500 -0.022 0.000 2.073 462 R HA -0.145 4.201 4.340 0.010 0.000 0.234 462 R C 2.165 178.421 176.300 -0.072 0.000 1.134 462 R CA 2.181 58.253 56.100 -0.046 0.000 0.952 462 R CB -0.894 29.389 30.300 -0.029 0.000 0.850 462 R HN 0.335 nan 8.270 nan 0.000 0.433 463 T N 0.617 115.131 114.554 -0.067 0.000 2.665 463 T HA -0.193 4.163 4.350 0.010 0.000 0.268 463 T C 1.833 176.450 174.700 -0.138 0.000 1.035 463 T CA 1.676 63.726 62.100 -0.084 0.000 1.151 463 T CB -0.642 68.189 68.868 -0.062 0.000 0.862 463 T HN 0.495 nan 8.240 nan 0.000 0.438 464 A N 1.350 124.047 122.820 -0.205 0.000 1.865 464 A HA -0.204 4.122 4.320 0.010 0.000 0.217 464 A C 2.241 179.672 177.584 -0.255 0.000 1.191 464 A CA 2.130 53.970 52.037 -0.329 0.000 0.623 464 A CB -0.795 17.826 19.000 -0.632 0.000 0.826 464 A HN 0.639 nan 8.150 nan 0.000 0.444 465 E N 0.175 120.258 120.200 -0.196 0.000 2.049 465 E HA -0.073 4.283 4.350 0.010 0.000 0.198 465 E C 1.334 177.849 176.600 -0.143 0.000 1.007 465 E CA 0.700 57.005 56.400 -0.158 0.000 0.809 465 E CB -0.312 29.320 29.700 -0.115 0.000 0.749 465 E HN 0.621 nan 8.360 nan 0.000 0.450 469 R N 1.874 122.278 120.500 -0.160 0.000 2.070 469 R HA -0.120 4.226 4.340 0.010 0.000 0.232 469 R C 2.480 178.725 176.300 -0.091 0.000 1.138 469 R CA 2.081 58.106 56.100 -0.125 0.000 0.936 469 R CB -0.574 29.664 30.300 -0.103 0.000 0.839 469 R HN 0.705 nan 8.270 nan 0.000 0.429 470 S N 0.876 116.529 115.700 -0.078 0.000 2.368 470 S HA -0.193 4.283 4.470 0.010 0.000 0.225 470 S C 2.104 176.688 174.600 -0.028 0.000 1.030 470 S CA 1.184 59.357 58.200 -0.046 0.000 0.999 470 S CB -0.298 62.876 63.200 -0.043 0.000 0.844 470 S HN 0.226 nan 8.310 nan 0.000 0.459 471 R N 1.446 121.912 120.500 -0.056 0.000 2.096 471 R HA -0.057 4.289 4.340 0.010 0.000 0.235 471 R C 2.511 178.846 176.300 0.057 0.000 1.127 471 R CA 1.656 57.737 56.100 -0.031 0.000 0.968 471 R CB -0.379 29.849 30.300 -0.119 0.000 0.861 471 R HN 0.736 nan 8.270 nan 0.000 0.440 472 E N 0.093 120.288 120.200 -0.007 0.000 2.051 472 E HA -0.269 4.087 4.350 0.010 0.000 0.192 472 E C 1.664 178.354 176.600 0.150 0.000 0.991 472 E CA 1.599 58.078 56.400 0.132 0.000 0.799 472 E CB -0.046 29.609 29.700 -0.075 0.000 0.748 472 E HN 0.291 nan 8.360 nan 0.000 0.449 473 E N 0.611 120.841 120.200 0.049 0.000 2.267 473 E HA -0.180 4.176 4.350 0.010 0.000 0.197 473 E C 1.079 177.724 176.600 0.074 0.000 0.998 473 E CA 1.859 58.285 56.400 0.043 0.000 0.830 473 E CB -0.134 29.568 29.700 0.003 0.000 0.751 473 E HN 0.384 nan 8.360 nan 0.000 0.491 474 N N -1.232 117.525 118.700 0.095 0.000 2.414 474 N HA 0.082 4.828 4.740 0.010 0.000 0.177 474 N C 0.854 176.437 175.510 0.122 0.000 1.062 474 N CA 0.642 53.747 53.050 0.092 0.000 0.890 474 N CB 0.349 38.878 38.487 0.070 0.000 1.070 474 N HN 0.107 nan 8.380 nan 0.000 0.454 475 E N -0.700 119.616 120.200 0.194 0.000 2.541 475 E HA 0.069 4.425 4.350 0.010 0.000 0.219 475 E C 0.604 177.236 176.600 0.052 0.000 0.922 475 E CA -0.275 56.229 56.400 0.174 0.000 1.095 475 E CB 0.232 30.104 29.700 0.285 0.000 1.112 475 E HN 0.115 nan 8.360 nan 0.000 0.516 476 F N 2.926 122.842 119.950 -0.057 0.000 2.025 476 F HA -0.296 4.237 4.527 0.010 0.000 0.297 476 F C 2.339 178.096 175.800 -0.072 0.000 1.132 476 F CA 2.516 60.362 58.000 -0.257 0.000 1.191 476 F CB -0.829 38.126 39.000 -0.076 0.000 0.963 476 F HN -0.040 nan 8.300 nan 0.000 0.481 477 T N -1.059 113.374 114.554 -0.202 0.000 2.653 477 T HA -0.287 4.069 4.350 0.010 0.000 0.268 477 T C 1.660 176.268 174.700 -0.154 0.000 1.035 477 T CA 1.741 63.698 62.100 -0.240 0.000 1.154 477 T CB -0.888 67.948 68.868 -0.054 0.000 0.862 477 T HN 0.322 nan 8.240 nan 0.000 0.441 478 D N 0.081 120.440 120.400 -0.069 0.000 2.097 478 D HA -0.068 4.578 4.640 0.010 0.000 0.195 478 D C 1.628 177.896 176.300 -0.053 0.000 0.989 478 D CA 1.029 55.017 54.000 -0.020 0.000 0.827 478 D CB -0.546 40.269 40.800 0.026 0.000 0.966 478 D HN 0.648 nan 8.370 nan 0.000 0.456 479 W N 0.920 122.016 121.300 -0.340 0.000 2.338 479 W HA -0.255 4.410 4.660 0.009 0.000 0.304 479 W C 2.105 178.395 176.519 -0.380 0.000 1.212 479 W CA 1.168 58.255 57.345 -0.431 0.000 1.264 479 W CB -0.588 28.329 29.460 -0.905 0.000 1.142 479 W HN -0.084 nan 8.180 nan 0.000 0.512 480 F N 1.899 121.501 119.950 -0.581 0.000 2.186 480 F HA -0.162 4.371 4.527 0.010 0.000 0.299 480 F C 2.780 178.321 175.800 -0.432 0.000 1.090 480 F CA 2.294 59.851 58.000 -0.737 0.000 1.307 480 F CB -0.914 37.502 39.000 -0.972 0.000 1.019 480 F HN -0.049 nan 8.300 nan 0.000 0.489 481 S N -0.472 115.096 115.700 -0.218 0.000 2.469 481 S HA -0.136 4.340 4.470 0.010 0.000 0.238 481 S C 1.506 176.182 174.600 0.126 0.000 0.998 481 S CA 1.102 59.341 58.200 0.065 0.000 0.957 481 S CB -0.511 62.790 63.200 0.169 0.000 0.764 481 S HN 0.313 nan 8.310 nan 0.000 0.514 482 L N -0.728 120.389 121.223 -0.177 0.000 2.693 482 L HA 0.509 4.855 4.340 0.010 0.000 0.235 482 L C 0.080 176.554 176.870 -0.660 0.000 1.127 482 L CA -0.501 54.162 54.840 -0.294 0.000 0.914 482 L CB -0.255 41.704 42.059 -0.166 0.000 1.193 482 L HN 0.471 nan 8.230 nan 0.000 0.502 483 W N 0.604 121.319 121.300 -0.975 0.000 2.303 483 W HA 0.368 5.032 4.660 0.008 0.000 0.318 483 W C 1.557 177.584 176.519 -0.819 0.000 1.362 483 W CA -0.150 56.592 57.345 -1.005 0.000 1.234 483 W CB 0.752 29.485 29.460 -1.212 0.000 1.248 483 W HN 0.173 nan 8.180 nan 0.000 0.546 484 G N 6.294 114.638 108.800 -0.760 0.000 2.631 484 G HA2 -0.302 3.663 3.960 0.010 0.000 0.219 484 G HA3 -0.302 3.663 3.960 0.010 0.000 0.219 484 G C -0.825 173.655 174.900 -0.700 0.000 1.214 484 G CA 1.521 46.218 45.100 -0.671 0.000 0.785 484 G HN 0.469 nan 8.290 nan 0.000 0.596 485 P HA -0.124 nan 4.420 nan 0.000 0.218 485 P C 1.544 178.547 177.300 -0.496 0.000 1.148 485 P CA 1.114 63.759 63.100 -0.759 0.000 0.822 485 P CB -0.213 30.822 31.700 -1.108 0.000 0.784 486 W N 0.249 121.095 121.300 -0.758 0.000 2.358 486 W HA -0.207 4.459 4.660 0.009 0.000 0.303 486 W C 1.751 178.087 176.519 -0.306 0.000 1.208 486 W CA 1.346 58.384 57.345 -0.511 0.000 1.274 486 W CB -0.768 28.189 29.460 -0.839 0.000 1.138 486 W HN 0.144 nan 8.180 nan 0.000 0.515 487 H N -0.117 118.593 119.070 -0.600 0.000 2.389 487 H HA -0.115 4.446 4.556 0.010 0.000 0.299 487 H C 2.461 177.296 175.328 -0.822 0.000 1.081 487 H CA 0.997 56.592 56.048 -0.756 0.000 1.345 487 H CB -0.135 29.317 29.762 -0.516 0.000 1.393 487 H HN 0.202 nan 8.280 nan 0.000 0.520 488 A N 0.710 123.261 122.820 -0.448 0.000 1.933 488 A HA -0.120 4.206 4.320 0.010 0.000 0.218 488 A C 2.626 179.974 177.584 -0.393 0.000 1.175 488 A CA 1.260 53.055 52.037 -0.403 0.000 0.628 488 A CB -0.724 18.108 19.000 -0.280 0.000 0.814 488 A HN 0.188 nan 8.150 nan 0.000 0.444 489 V N 0.006 119.708 119.914 -0.352 0.000 2.358 489 V HA -0.226 3.900 4.120 0.010 0.000 0.246 489 V C 2.526 178.350 176.094 -0.451 0.000 1.047 489 V CA 1.874 64.004 62.300 -0.284 0.000 1.035 489 V CB -0.641 31.117 31.823 -0.108 0.000 0.658 489 V HN 0.574 nan 8.190 nan 0.000 0.452 490 L N -0.723 120.064 121.223 -0.726 0.000 2.141 490 L HA -0.167 4.179 4.340 0.010 0.000 0.209 490 L C 2.527 178.982 176.870 -0.692 0.000 1.094 490 L CA 1.509 55.919 54.840 -0.716 0.000 0.763 490 L CB -0.476 41.089 42.059 -0.824 0.000 0.908 490 L HN 0.289 nan 8.230 nan 0.000 0.437 491 K N -0.437 119.398 120.400 -0.942 0.000 2.076 491 K HA -0.129 4.197 4.320 0.010 0.000 0.204 491 K C 2.281 178.607 176.600 -0.457 0.000 1.051 491 K CA 0.818 56.561 56.287 -0.907 0.000 0.949 491 K CB 0.011 31.941 32.500 -0.950 0.000 0.726 491 K HN 0.136 nan 8.250 nan 0.000 0.443 492 R N 0.396 120.677 120.500 -0.366 0.000 2.093 492 R HA -0.088 4.258 4.340 0.010 0.000 0.224 492 R C 2.008 178.207 176.300 -0.168 0.000 1.101 492 R CA 1.975 57.937 56.100 -0.230 0.000 0.979 492 R CB 0.112 30.296 30.300 -0.193 0.000 0.877 492 R HN 0.295 nan 8.270 nan 0.000 0.441 493 T N -3.305 111.145 114.554 -0.173 0.000 3.026 493 T HA 0.175 4.531 4.350 0.010 0.000 0.245 493 T C 0.933 175.581 174.700 -0.086 0.000 1.004 493 T CA -0.156 61.882 62.100 -0.105 0.000 1.069 493 T CB 0.410 69.236 68.868 -0.070 0.000 1.005 493 T HN 0.023 nan 8.240 nan 0.000 0.472 494 E N 1.197 121.326 120.200 -0.119 0.000 2.651 494 E HA 0.511 4.866 4.350 0.010 0.000 0.213 494 E C 1.243 177.832 176.600 -0.019 0.000 1.028 494 E CA -0.062 56.302 56.400 -0.060 0.000 1.183 494 E CB 0.762 30.427 29.700 -0.058 0.000 1.188 494 E HN 0.591 nan 8.360 nan 0.000 0.444 495 A N 0.831 123.627 122.820 -0.039 0.000 2.131 495 A HA -0.244 4.081 4.320 0.010 0.000 0.220 495 A C 1.951 179.588 177.584 0.088 0.000 1.158 495 A CA 2.093 54.144 52.037 0.024 0.000 0.665 495 A CB -0.679 18.305 19.000 -0.027 0.000 0.795 495 A HN 0.445 nan 8.150 nan 0.000 0.460 496 D N -0.106 120.323 120.400 0.049 0.000 2.077 496 D HA -0.147 4.499 4.640 0.010 0.000 0.196 496 D C 2.198 178.530 176.300 0.052 0.000 0.986 496 D CA 1.399 55.424 54.000 0.041 0.000 0.829 496 D CB -0.458 40.356 40.800 0.023 0.000 0.983 496 D HN 0.631 nan 8.370 nan 0.000 0.453 497 R N -1.324 119.213 120.500 0.062 0.000 2.148 497 R HA 0.036 4.382 4.340 0.010 0.000 0.223 497 R C 2.346 178.690 176.300 0.073 0.000 1.088 497 R CA 0.755 56.888 56.100 0.055 0.000 0.985 497 R CB -0.208 30.127 30.300 0.059 0.000 0.880 497 R HN 0.732 nan 8.270 nan 0.000 0.451 498 W N 1.626 122.879 121.300 -0.078 0.000 2.353 498 W HA -0.156 4.511 4.660 0.010 0.000 0.319 498 W C 1.908 178.387 176.519 -0.066 0.000 1.207 498 W CA 1.807 59.098 57.345 -0.090 0.000 1.291 498 W CB -0.313 29.066 29.460 -0.135 0.000 1.159 498 W HN 0.124 nan 8.180 nan 0.000 0.478 499 A N 1.234 124.095 122.820 0.067 0.000 1.972 499 A HA -0.100 4.226 4.320 0.010 0.000 0.219 499 A C 2.451 179.968 177.584 -0.113 0.000 1.169 499 A CA 2.999 55.013 52.037 -0.040 0.000 0.635 499 A CB -1.442 17.587 19.000 0.050 0.000 0.810 499 A HN 0.424 nan 8.150 nan 0.000 0.446 500 L N -1.444 119.731 121.223 -0.079 0.000 2.093 500 L HA 0.288 4.634 4.340 0.010 0.000 0.208 500 L C 2.848 179.631 176.870 -0.145 0.000 1.085 500 L CA 2.483 57.270 54.840 -0.087 0.000 0.755 500 L CB -2.035 39.996 42.059 -0.048 0.000 0.904 500 L HN 0.654 nan 8.230 nan 0.000 0.435 501 A N -1.785 120.914 122.820 -0.203 0.000 2.016 501 A HA -0.058 4.268 4.320 0.010 0.000 0.217 501 A C 2.225 179.576 177.584 -0.389 0.000 1.162 501 A CA 0.938 52.808 52.037 -0.277 0.000 0.662 501 A CB -0.356 18.477 19.000 -0.277 0.000 0.812 501 A HN 0.647 nan 8.150 nan 0.000 0.450 502 E N -0.275 119.657 120.200 -0.447 0.000 2.106 502 E HA -0.147 4.209 4.350 0.010 0.000 0.192 502 E C 2.293 178.742 176.600 -0.252 0.000 0.984 502 E CA 1.465 57.618 56.400 -0.412 0.000 0.806 502 E CB -0.216 29.230 29.700 -0.423 0.000 0.750 502 E HN 0.814 nan 8.360 nan 0.000 0.458 503 E N 0.798 120.881 120.200 -0.195 0.000 2.152 503 E HA -0.144 4.212 4.350 0.010 0.000 0.192 503 E C 2.041 178.561 176.600 -0.134 0.000 0.983 503 E CA 1.495 57.814 56.400 -0.135 0.000 0.818 503 E CB -1.236 28.404 29.700 -0.099 0.000 0.758 503 E HN 0.408 nan 8.360 nan 0.000 0.467 504 Q N -0.266 119.440 119.800 -0.156 0.000 2.291 504 Q HA 0.143 4.489 4.340 0.010 0.000 0.206 504 Q C 1.862 177.770 176.000 -0.153 0.000 0.976 504 Q CA 1.703 57.421 55.803 -0.143 0.000 0.875 504 Q CB -1.150 27.498 28.738 -0.151 0.000 0.927 504 Q HN 0.866 nan 8.270 nan 0.000 0.450 505 K N -0.241 120.046 120.400 -0.188 0.000 2.263 505 K HA 0.622 4.948 4.320 0.010 0.000 0.282 505 K C -0.296 176.228 176.600 -0.127 0.000 1.089 505 K CA 0.060 56.242 56.287 -0.175 0.000 0.907 505 K CB -1.034 31.327 32.500 -0.232 0.000 1.148 505 K HN 1.168 nan 8.250 nan 0.000 0.470 543 E N 0.874 121.082 120.200 0.013 0.000 2.169 543 E HA -0.230 4.125 4.350 0.010 0.000 0.202 543 E C 2.050 178.644 176.600 -0.010 0.000 1.016 543 E CA 2.361 58.766 56.400 0.008 0.000 0.817 543 E CB -1.261 28.442 29.700 0.005 0.000 0.736 543 E HN 0.711 nan 8.360 nan 0.000 0.462 544 T N 0.007 114.543 114.554 -0.031 0.000 2.812 544 T HA -0.064 4.292 4.350 0.010 0.000 0.264 544 T C 1.882 176.515 174.700 -0.111 0.000 1.042 544 T CA 1.004 63.064 62.100 -0.066 0.000 1.140 544 T CB -0.136 68.686 68.868 -0.076 0.000 0.870 544 T HN 0.605 nan 8.240 nan 0.000 0.445 545 E N 0.864 121.005 120.200 -0.099 0.000 2.058 545 E HA -0.242 4.114 4.350 0.010 0.000 0.194 545 E C 2.400 178.972 176.600 -0.046 0.000 0.997 545 E CA 1.256 57.565 56.400 -0.152 0.000 0.801 545 E CB -0.153 29.564 29.700 0.029 0.000 0.746 545 E HN 0.355 nan 8.360 nan 0.000 0.450 546 Q N 0.783 120.613 119.800 0.050 0.000 2.045 546 Q HA -0.286 4.060 4.340 0.010 0.000 0.206 546 Q C 2.300 178.330 176.000 0.050 0.000 0.991 546 Q CA 3.168 59.024 55.803 0.088 0.000 0.851 546 Q CB -0.647 28.129 28.738 0.064 0.000 0.911 546 Q HN 0.322 nan 8.270 nan 0.000 0.418 547 Q N -0.604 119.193 119.800 -0.005 0.000 2.124 547 Q HA -0.063 4.283 4.340 0.010 0.000 0.202 547 Q C 2.300 178.271 176.000 -0.048 0.000 0.977 547 Q CA 2.575 58.367 55.803 -0.018 0.000 0.850 547 Q CB -1.558 27.161 28.738 -0.032 0.000 0.901 547 Q HN 0.727 nan 8.270 nan 0.000 0.429 548 I N -1.286 119.201 120.570 -0.139 0.000 2.286 548 I HA -0.027 4.149 4.170 0.010 0.000 0.245 548 I C 2.507 178.521 176.117 -0.170 0.000 1.104 548 I CA 1.742 62.904 61.300 -0.231 0.000 1.397 548 I CB -1.161 36.583 38.000 -0.427 0.000 1.072 548 I HN 0.618 nan 8.210 nan 0.000 0.417 549 Y N 1.267 121.555 120.300 -0.021 0.000 2.337 549 Y HA 0.111 4.667 4.550 0.010 0.000 0.293 549 Y C 2.957 178.919 175.900 0.103 0.000 1.123 549 Y CA 1.595 59.713 58.100 0.031 0.000 1.201 549 Y CB -1.128 37.382 38.460 0.083 0.000 1.011 549 Y HN 0.442 nan 8.280 nan 0.000 0.545 550 R N 0.495 121.124 120.500 0.215 0.000 2.081 550 R HA -0.203 4.143 4.340 0.010 0.000 0.235 550 R C 2.049 178.428 176.300 0.131 0.000 1.131 550 R CA 1.861 58.053 56.100 0.153 0.000 0.960 550 R CB -1.410 28.947 30.300 0.093 0.000 0.856 550 R HN 0.454 nan 8.270 nan 0.000 0.436 551 Q N -0.069 119.785 119.800 0.091 0.000 2.030 551 Q HA -0.077 4.269 4.340 0.010 0.000 0.204 551 Q C 2.587 178.650 176.000 0.106 0.000 0.986 551 Q CA 3.050 58.894 55.803 0.068 0.000 0.843 551 Q CB -0.613 28.136 28.738 0.018 0.000 0.904 551 Q HN 0.547 nan 8.270 nan 0.000 0.420 552 L N -0.876 120.427 121.223 0.133 0.000 2.079 552 L HA -0.174 4.172 4.340 0.010 0.000 0.210 552 L C 2.486 179.518 176.870 0.270 0.000 1.081 552 L CA 2.752 57.696 54.840 0.174 0.000 0.752 552 L CB -1.962 40.212 42.059 0.192 0.000 0.896 552 L HN 0.467 nan 8.230 nan 0.000 0.433 553 T N -0.876 113.889 114.554 0.351 0.000 2.668 553 T HA -0.167 4.189 4.350 0.010 0.000 0.262 553 T C 1.773 176.647 174.700 0.289 0.000 1.045 553 T CA 1.471 63.851 62.100 0.466 0.000 1.152 553 T CB -0.503 68.617 68.868 0.420 0.000 0.864 553 T HN 0.692 nan 8.240 nan 0.000 0.419 554 D N 1.039 121.548 120.400 0.181 0.000 2.265 554 D HA 0.003 4.649 4.640 0.010 0.000 0.208 554 D C 2.324 178.694 176.300 0.117 0.000 0.977 554 D CA 1.271 55.341 54.000 0.118 0.000 0.871 554 D CB -0.215 40.634 40.800 0.082 0.000 0.925 554 D HN 0.655 nan 8.370 nan 0.000 0.485 555 E N 0.228 120.510 120.200 0.137 0.000 2.006 555 E HA -0.108 4.248 4.350 0.010 0.000 0.192 555 E C 2.277 178.964 176.600 0.144 0.000 0.993 555 E CA 1.330 57.801 56.400 0.119 0.000 0.808 555 E CB -1.028 28.736 29.700 0.107 0.000 0.764 555 E HN 0.158 nan 8.360 nan 0.000 0.449 556 V N 1.048 121.087 119.914 0.209 0.000 2.594 556 V HA -0.142 3.984 4.120 0.010 0.000 0.253 556 V C 3.115 179.354 176.094 0.241 0.000 1.069 556 V CA 1.924 64.368 62.300 0.241 0.000 1.082 556 V CB -0.969 31.052 31.823 0.330 0.000 0.680 556 V HN 0.700 nan 8.190 nan 0.000 0.469 557 L N -0.204 121.153 121.223 0.223 0.000 2.191 557 L HA 0.149 4.495 4.340 0.010 0.000 0.212 557 L C 2.643 179.568 176.870 0.091 0.000 1.103 557 L CA 2.474 57.394 54.840 0.133 0.000 0.769 557 L CB -1.769 40.331 42.059 0.069 0.000 0.908 557 L HN 0.435 nan 8.230 nan 0.000 0.438 558 A N -0.576 122.299 122.820 0.091 0.000 1.929 558 A HA 0.230 4.555 4.320 0.010 0.000 0.216 558 A C 2.617 180.241 177.584 0.067 0.000 1.176 558 A CA 2.534 54.611 52.037 0.067 0.000 0.628 558 A CB -0.897 18.140 19.000 0.060 0.000 0.816 558 A HN 1.384 nan 8.150 nan 0.000 0.444 559 L N -0.536 120.737 121.223 0.084 0.000 1.994 559 L HA 0.196 4.541 4.340 0.010 0.000 0.208 559 L C 2.355 179.270 176.870 0.076 0.000 1.071 559 L CA 2.422 57.309 54.840 0.078 0.000 0.745 559 L CB -2.395 39.717 42.059 0.089 0.000 0.892 559 L HN 0.745 nan 8.230 nan 0.000 0.431 560 R N 0.142 120.698 120.500 0.094 0.000 2.612 560 R HA 0.698 5.044 4.340 0.010 0.000 0.273 560 R C -0.120 176.216 176.300 0.060 0.000 1.376 560 R CA 0.608 56.758 56.100 0.083 0.000 1.171 560 R CB -2.084 28.282 30.300 0.110 0.000 1.151 560 R HN 1.910 nan 8.270 nan 0.000 0.560 561 L N 0.000 121.252 121.223 0.048 0.000 2.949 561 L HA 0.000 4.346 4.340 0.010 0.000 0.249 561 L CA 0.000 54.861 54.840 0.034 0.000 0.813 561 L CB 0.000 42.078 42.059 0.032 0.000 0.961 561 L HN 0.000 nan 8.230 nan 0.000 0.502