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 3om3_1_C DATA FIRST_RESID 20 DATA SEQUENCE WFMSTNHKDI GVLYLFTGGL VGLISVAFTV YMRMELMAPG VQFMcAEHLE DATA SEQUENCE SGLVKGFFQS LWPSAVENcT PNGHLWNVMI TGHGILMMFF VVIPALFGGF DATA SEQUENCE GNYFMPLHIG APDMAFPRMN NLSYWLYVAG TSLAVASLFA PGGNGQLGSG DATA SEQUENCE IGWVLYPPLS TSESGYSTDL AIFAVHLSGA SSILGAINMI TTFLNMRAPG DATA SEQUENCE MTMHKVPLFA WSIFVTAWLI LLALPVLAGA ITMLLTDRNF GTTFFQPSGG DATA SEQUENCE GDPVLYQHIL WFFGHPEVYI IVLPAFGIVS HVIATFAKKP IFGYLPMVYA DATA SEQUENCE MVAIGVLGFV VWAHHMYTAG LSLTQQSYFM MATMVIAVPT GIMIFSWIAT DATA SEQUENCE MWGGSIELKT PMLWALGFLF LFTVGGVTGI VLSQASVDRY YHDTYYVVAH DATA SEQUENCE FHYVMSLGAV FGIFAGIYFW IGKMSGRQYP EWAGKLHFWM MFVGANLTFF DATA SEQUENCE PQHFLGRQGM PRRYIDYPEA FATWNFVSSL GAFLSFASFL FFLGVIFYTL DATA SEQUENCE TRGARVTANN YWNEHADTLE WTLTSPPPEH T 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 20 W HA 0.000 nan 4.660 nan 0.000 0.303 20 W C 0.000 176.428 176.519 -0.152 0.000 1.175 20 W CA 0.000 57.292 57.345 -0.087 0.000 1.226 20 W CB 0.000 29.367 29.460 -0.155 0.000 1.126 21 F N 1.754 121.713 119.950 0.014 0.000 2.325 21 F HA 0.201 4.728 4.527 -0.001 0.000 0.299 21 F C 2.911 178.859 175.800 0.248 0.000 1.090 21 F CA 3.597 61.662 58.000 0.109 0.000 1.392 21 F CB -0.316 38.849 39.000 0.275 0.000 1.053 21 F HN 0.192 nan 8.300 nan 0.000 0.521 22 M N -0.807 118.987 119.600 0.323 0.000 2.514 22 M HA 0.148 4.628 4.480 -0.001 0.000 0.258 22 M C 1.245 177.633 176.300 0.146 0.000 1.119 22 M CA 0.838 56.286 55.300 0.248 0.000 1.111 22 M CB -1.157 31.541 32.600 0.164 0.000 1.390 22 M HN 0.039 nan 8.290 nan 0.000 0.475 23 S N 1.425 117.165 115.700 0.066 0.000 2.560 23 S HA 0.244 4.713 4.470 -0.001 0.000 0.284 23 S C 1.217 175.814 174.600 -0.004 0.000 1.327 23 S CA 0.456 58.656 58.200 -0.001 0.000 1.055 23 S CB 0.359 63.520 63.200 -0.067 0.000 0.868 23 S HN 0.884 nan 8.310 nan 0.000 0.506 24 T N 1.361 115.914 114.554 -0.002 0.000 3.132 24 T HA 0.231 4.581 4.350 -0.001 0.000 0.274 24 T C 0.330 175.020 174.700 -0.017 0.000 1.011 24 T CA -0.558 61.552 62.100 0.016 0.000 0.899 24 T CB -0.518 68.381 68.868 0.051 0.000 1.089 24 T HN 0.650 nan 8.240 nan 0.000 0.543 25 N N 1.579 120.233 118.700 -0.077 0.000 2.458 25 N HA 0.012 4.752 4.740 -0.001 0.000 0.270 25 N C 1.325 176.710 175.510 -0.209 0.000 1.102 25 N CA -0.097 52.866 53.050 -0.144 0.000 0.967 25 N CB 0.864 39.228 38.487 -0.205 0.000 1.078 25 N HN 0.569 nan 8.380 nan 0.000 0.471 26 H N 3.801 122.768 119.070 -0.171 0.000 2.460 26 H HA -0.111 4.444 4.556 -0.001 0.000 0.297 26 H C 1.130 176.269 175.328 -0.316 0.000 1.103 26 H CA 1.526 57.453 56.048 -0.202 0.000 1.292 26 H CB 0.168 29.808 29.762 -0.205 0.000 1.376 26 H HN 0.557 nan 8.280 nan 0.000 0.531 27 K N 0.129 119.910 120.400 -1.032 0.000 2.062 27 K HA -0.098 4.221 4.320 -0.001 0.000 0.205 27 K C 1.539 177.882 176.600 -0.428 0.000 1.051 27 K CA 1.298 56.964 56.287 -1.035 0.000 0.941 27 K CB 0.106 31.902 32.500 -1.174 0.000 0.719 27 K HN 0.457 nan 8.250 nan 0.000 0.440 28 D N 0.972 121.173 120.400 -0.332 0.000 2.149 28 D HA -0.092 4.547 4.640 -0.001 0.000 0.201 28 D C 1.991 178.153 176.300 -0.230 0.000 0.972 28 D CA 0.923 54.790 54.000 -0.222 0.000 0.835 28 D CB -0.102 40.569 40.800 -0.216 0.000 0.966 28 D HN 0.161 nan 8.370 nan 0.000 0.476 29 I N 1.479 121.926 120.570 -0.205 0.000 2.142 29 I HA -0.175 3.994 4.170 -0.001 0.000 0.240 29 I C 2.659 178.762 176.117 -0.025 0.000 1.078 29 I CA 1.437 62.632 61.300 -0.175 0.000 1.343 29 I CB -0.492 37.485 38.000 -0.039 0.000 1.046 29 I HN 0.007 nan 8.210 nan 0.000 0.405 30 G N 0.187 109.013 108.800 0.044 0.000 2.442 30 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.219 30 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.219 30 G C 1.682 176.621 174.900 0.064 0.000 1.141 30 G CA 0.962 46.130 45.100 0.114 0.000 0.763 30 G HN 0.275 nan 8.290 nan 0.000 0.554 31 V N 0.539 120.478 119.914 0.041 0.000 2.548 31 V HA -0.019 4.100 4.120 -0.001 0.000 0.249 31 V C 2.843 178.953 176.094 0.026 0.000 1.055 31 V CA 1.056 63.370 62.300 0.024 0.000 1.065 31 V CB -0.182 31.691 31.823 0.084 0.000 0.681 31 V HN 0.346 nan 8.190 nan 0.000 0.462 32 L N -1.637 119.489 121.223 -0.160 0.000 2.027 32 L HA -0.167 4.172 4.340 -0.001 0.000 0.206 32 L C 2.470 179.309 176.870 -0.052 0.000 1.074 32 L CA 1.867 56.495 54.840 -0.354 0.000 0.745 32 L CB -0.656 40.726 42.059 -1.127 0.000 0.898 32 L HN 0.280 nan 8.230 nan 0.000 0.433 33 Y N 0.068 120.365 120.300 -0.005 0.000 2.114 33 Y HA -0.323 4.226 4.550 -0.001 0.000 0.282 33 Y C 2.562 178.498 175.900 0.061 0.000 1.165 33 Y CA 1.353 59.535 58.100 0.138 0.000 1.148 33 Y CB -0.212 38.255 38.460 0.013 0.000 0.972 33 Y HN 0.078 nan 8.280 nan 0.000 0.504 34 L N -1.756 119.506 121.223 0.066 0.000 2.017 34 L HA -0.266 4.074 4.340 -0.001 0.000 0.208 34 L C 2.105 178.934 176.870 -0.069 0.000 1.073 34 L CA 1.345 56.102 54.840 -0.137 0.000 0.745 34 L CB -0.518 41.302 42.059 -0.399 0.000 0.894 34 L HN 0.202 nan 8.230 nan 0.000 0.432 35 F N -0.275 119.715 119.950 0.067 0.000 2.206 35 F HA -0.172 4.354 4.527 -0.001 0.000 0.298 35 F C 2.620 178.517 175.800 0.162 0.000 1.090 35 F CA 1.536 59.593 58.000 0.094 0.000 1.323 35 F CB -0.969 38.058 39.000 0.045 0.000 1.028 35 F HN 0.028 nan 8.300 nan 0.000 0.492 36 T N -0.739 114.054 114.554 0.399 0.000 2.643 36 T HA -0.129 4.221 4.350 -0.001 0.000 0.264 36 T C 2.432 177.369 174.700 0.396 0.000 1.045 36 T CA 1.455 63.789 62.100 0.390 0.000 1.155 36 T CB -1.252 67.913 68.868 0.494 0.000 0.863 36 T HN 0.377 nan 8.240 nan 0.000 0.420 37 G N 1.248 110.312 108.800 0.440 0.000 2.547 37 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.221 37 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.221 37 G C 1.719 176.779 174.900 0.267 0.000 1.140 37 G CA 1.212 46.518 45.100 0.344 0.000 0.760 37 G HN 0.600 nan 8.290 nan 0.000 0.583 38 G N 0.494 109.449 108.800 0.259 0.000 2.418 38 G HA2 -0.079 3.881 3.960 -0.001 0.000 0.217 38 G HA3 -0.079 3.881 3.960 -0.001 0.000 0.217 38 G C 1.745 176.854 174.900 0.348 0.000 1.158 38 G CA 1.056 46.344 45.100 0.314 0.000 0.771 38 G HN 0.465 nan 8.290 nan 0.000 0.545 39 L N 0.770 122.174 121.223 0.300 0.000 2.044 39 L HA 0.065 4.405 4.340 -0.001 0.000 0.205 39 L C 2.866 179.862 176.870 0.210 0.000 1.075 39 L CA 1.343 56.336 54.840 0.254 0.000 0.747 39 L CB -0.441 41.748 42.059 0.217 0.000 0.903 39 L HN 0.056 nan 8.230 nan 0.000 0.435 40 V N 0.405 120.439 119.914 0.200 0.000 2.343 40 V HA -0.220 3.899 4.120 -0.001 0.000 0.247 40 V C 2.656 178.824 176.094 0.123 0.000 1.051 40 V CA 1.785 64.175 62.300 0.150 0.000 1.036 40 V CB -1.786 30.163 31.823 0.211 0.000 0.654 40 V HN 0.642 nan 8.190 nan 0.000 0.451 41 G N -0.106 108.797 108.800 0.172 0.000 2.442 41 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.219 41 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.219 41 G C 1.585 176.560 174.900 0.124 0.000 1.141 41 G CA 1.176 46.350 45.100 0.123 0.000 0.763 41 G HN 0.460 nan 8.290 nan 0.000 0.554 42 L N 0.608 122.000 121.223 0.281 0.000 2.017 42 L HA 0.063 4.403 4.340 -0.001 0.000 0.208 42 L C 2.676 179.666 176.870 0.201 0.000 1.073 42 L CA 1.400 56.468 54.840 0.381 0.000 0.745 42 L CB -0.365 41.957 42.059 0.438 0.000 0.894 42 L HN 0.260 nan 8.230 nan 0.000 0.432 43 I N -1.294 119.313 120.570 0.061 0.000 2.179 43 I HA -0.306 3.864 4.170 -0.001 0.000 0.242 43 I C 2.640 178.456 176.117 -0.503 0.000 1.088 43 I CA 1.618 62.826 61.300 -0.154 0.000 1.357 43 I CB -0.443 37.459 38.000 -0.164 0.000 1.051 43 I HN 0.315 nan 8.210 nan 0.000 0.409 44 S N 0.023 115.508 115.700 -0.358 0.000 2.402 44 S HA -0.095 4.375 4.470 -0.001 0.000 0.229 44 S C 1.970 176.570 174.600 0.001 0.000 1.021 44 S CA 0.960 58.987 58.200 -0.289 0.000 0.974 44 S CB -0.079 63.098 63.200 -0.038 0.000 0.800 44 S HN 0.231 nan 8.310 nan 0.000 0.484 45 V N 1.765 121.688 119.914 0.014 0.000 2.591 45 V HA 0.012 4.132 4.120 -0.001 0.000 0.249 45 V C 2.751 178.841 176.094 -0.007 0.000 1.053 45 V CA 1.316 63.648 62.300 0.053 0.000 1.068 45 V CB -1.174 30.675 31.823 0.043 0.000 0.689 45 V HN 0.556 nan 8.190 nan 0.000 0.462 46 A N 0.380 123.211 122.820 0.017 0.000 1.883 46 A HA -0.213 4.106 4.320 -0.001 0.000 0.217 46 A C 2.051 179.696 177.584 0.103 0.000 1.186 46 A CA 1.893 53.903 52.037 -0.046 0.000 0.624 46 A CB -0.737 18.326 19.000 0.105 0.000 0.822 46 A HN 0.415 nan 8.150 nan 0.000 0.444 47 F N 1.147 121.091 119.950 -0.009 0.000 2.063 47 F HA -0.245 4.281 4.527 -0.001 0.000 0.298 47 F C 3.048 178.774 175.800 -0.123 0.000 1.109 47 F CA 1.760 59.748 58.000 -0.022 0.000 1.212 47 F CB -1.714 37.297 39.000 0.018 0.000 0.973 47 F HN 0.458 nan 8.300 nan 0.000 0.480 48 T N -2.127 112.420 114.554 -0.012 0.000 2.915 48 T HA -0.077 4.273 4.350 -0.001 0.000 0.269 48 T C 2.031 176.653 174.700 -0.130 0.000 1.071 48 T CA 1.300 63.281 62.100 -0.198 0.000 1.132 48 T CB -0.955 67.734 68.868 -0.297 0.000 0.878 48 T HN 0.077 nan 8.240 nan 0.000 0.479 49 V N 0.160 120.004 119.914 -0.117 0.000 2.379 49 V HA -0.050 4.069 4.120 -0.001 0.000 0.245 49 V C 2.303 178.426 176.094 0.049 0.000 1.044 49 V CA 1.435 63.691 62.300 -0.072 0.000 1.036 49 V CB -0.936 30.676 31.823 -0.352 0.000 0.664 49 V HN 0.492 nan 8.190 nan 0.000 0.453 50 Y N 0.439 120.653 120.300 -0.142 0.000 2.200 50 Y HA -0.208 4.341 4.550 -0.001 0.000 0.290 50 Y C 2.440 178.270 175.900 -0.116 0.000 1.137 50 Y CA 1.498 59.497 58.100 -0.169 0.000 1.163 50 Y CB -0.448 37.918 38.460 -0.157 0.000 0.988 50 Y HN 0.181 nan 8.280 nan 0.000 0.518 51 M N -0.514 119.003 119.600 -0.139 0.000 2.082 51 M HA -0.277 4.203 4.480 -0.001 0.000 0.258 51 M C 2.052 178.390 176.300 0.064 0.000 1.069 51 M CA 1.804 57.020 55.300 -0.140 0.000 1.102 51 M CB -0.257 32.169 32.600 -0.290 0.000 1.336 51 M HN 0.007 nan 8.290 nan 0.000 0.404 52 R N -0.258 120.219 120.500 -0.039 0.000 2.189 52 R HA 0.057 4.396 4.340 -0.001 0.000 0.218 52 R C 1.896 178.178 176.300 -0.030 0.000 1.074 52 R CA 0.991 57.029 56.100 -0.103 0.000 0.991 52 R CB -0.672 29.424 30.300 -0.340 0.000 0.883 52 R HN 0.506 nan 8.270 nan 0.000 0.457 53 M N 0.276 119.886 119.600 0.017 0.000 2.086 53 M HA -0.179 4.300 4.480 -0.001 0.000 0.261 53 M C 2.041 178.256 176.300 -0.143 0.000 1.067 53 M CA 1.698 56.929 55.300 -0.115 0.000 1.116 53 M CB -0.169 32.084 32.600 -0.579 0.000 1.348 53 M HN -0.089 nan 8.290 nan 0.000 0.407 54 E N 0.543 120.663 120.200 -0.134 0.000 2.152 54 E HA -0.065 4.284 4.350 -0.001 0.000 0.192 54 E C 1.597 178.275 176.600 0.129 0.000 0.983 54 E CA 1.069 57.524 56.400 0.092 0.000 0.818 54 E CB -0.181 29.577 29.700 0.095 0.000 0.758 54 E HN 0.462 nan 8.360 nan 0.000 0.467 55 L N 0.308 121.617 121.223 0.144 0.000 2.599 55 L HA 0.121 4.461 4.340 -0.001 0.000 0.230 55 L C 2.217 179.231 176.870 0.241 0.000 1.141 55 L CA 0.100 55.067 54.840 0.211 0.000 0.877 55 L CB -0.247 41.875 42.059 0.106 0.000 1.009 55 L HN 0.285 nan 8.230 nan 0.000 0.447 56 M N 0.121 119.838 119.600 0.193 0.000 2.175 56 M HA -0.012 4.467 4.480 -0.001 0.000 0.264 56 M C 0.707 177.224 176.300 0.362 0.000 1.063 56 M CA 1.261 56.701 55.300 0.233 0.000 1.119 56 M CB 0.254 33.005 32.600 0.251 0.000 1.377 56 M HN 0.204 nan 8.290 nan 0.000 0.415 57 A N 0.844 123.843 122.820 0.297 0.000 2.449 57 A HA 0.716 5.035 4.320 -0.001 0.000 0.302 57 A C -2.683 174.903 177.584 0.003 0.000 1.048 57 A CA -1.582 50.578 52.037 0.205 0.000 0.708 57 A CB 0.768 19.856 19.000 0.146 0.000 1.274 57 A HN 0.174 nan 8.150 nan 0.000 0.410 58 P HA 0.386 nan 4.420 nan 0.000 0.268 58 P C 0.559 177.692 177.300 -0.277 0.000 1.208 58 P CA 1.602 64.412 63.100 -0.484 0.000 0.777 58 P CB 0.538 32.083 31.700 -0.258 0.000 0.875 59 G N 0.249 108.865 108.800 -0.306 0.000 2.716 59 G HA2 -0.080 3.879 3.960 -0.001 0.000 0.686 59 G HA3 -0.080 3.879 3.960 -0.001 0.000 0.686 59 G C -1.006 173.800 174.900 -0.156 0.000 1.337 59 G CA -0.700 44.289 45.100 -0.186 0.000 0.829 59 G HN 0.458 nan 8.290 nan 0.000 0.599 60 V N 2.014 121.858 119.914 -0.117 0.000 2.383 60 V HA 0.506 4.625 4.120 -0.001 0.000 0.275 60 V C 0.806 176.864 176.094 -0.060 0.000 1.036 60 V CA 0.283 62.540 62.300 -0.071 0.000 0.889 60 V CB 1.437 33.219 31.823 -0.069 0.000 0.985 60 V HN 0.859 nan 8.190 nan 0.000 0.459 61 Q N 2.418 122.191 119.800 -0.046 0.000 2.245 61 Q HA 0.346 4.685 4.340 -0.001 0.000 0.250 61 Q C 0.786 176.578 176.000 -0.347 0.000 0.830 61 Q CA 0.451 56.113 55.803 -0.236 0.000 0.950 61 Q CB 0.518 29.019 28.738 -0.395 0.000 1.124 61 Q HN 0.782 nan 8.270 nan 0.000 0.502 62 F N -0.572 119.431 119.950 0.087 0.000 2.532 62 F HA 0.281 4.807 4.527 -0.001 0.000 0.278 62 F C 0.911 176.862 175.800 0.252 0.000 0.975 62 F CA 0.106 58.223 58.000 0.196 0.000 1.292 62 F CB 0.285 39.364 39.000 0.133 0.000 1.112 62 F HN -0.120 nan 8.300 nan 0.000 0.703 63 M N 1.940 121.734 119.600 0.323 0.000 3.706 63 M HA 0.138 4.618 4.480 -0.001 0.000 0.204 63 M C -0.950 175.427 176.300 0.128 0.000 1.455 63 M CA -0.113 55.338 55.300 0.253 0.000 1.659 63 M CB -0.961 31.754 32.600 0.191 0.000 1.076 63 M HN 0.101 nan 8.290 nan 0.000 0.577 64 c N 0.635 119.256 118.600 0.035 0.000 2.452 64 c HA 0.428 4.998 4.570 -0.001 0.000 0.379 64 c C 1.918 175.904 174.090 -0.175 0.000 1.275 64 c CA -0.592 55.617 56.329 -0.201 0.000 2.056 64 c CB 0.720 42.901 42.510 -0.548 0.000 2.506 64 c HN 0.851 nan 8.230 nan 0.000 0.560 65 A N 1.501 124.264 122.820 -0.096 0.000 2.121 65 A HA -0.076 4.243 4.320 -0.001 0.000 0.218 65 A C 1.855 179.409 177.584 -0.049 0.000 1.154 65 A CA 1.286 53.302 52.037 -0.035 0.000 0.679 65 A CB -0.340 18.652 19.000 -0.014 0.000 0.795 65 A HN 0.923 nan 8.150 nan 0.000 0.458 66 E N -0.114 120.003 120.200 -0.138 0.000 2.110 66 E HA -0.171 4.178 4.350 -0.001 0.000 0.193 66 E C 1.486 178.104 176.600 0.030 0.000 0.988 66 E CA 1.334 57.684 56.400 -0.084 0.000 0.804 66 E CB -0.341 29.286 29.700 -0.121 0.000 0.745 66 E HN 0.718 nan 8.360 nan 0.000 0.458 67 H N -0.482 118.641 119.070 0.089 0.000 2.559 67 H HA 0.034 4.590 4.556 -0.001 0.000 0.273 67 H C 1.736 177.127 175.328 0.105 0.000 1.000 67 H CA 0.515 56.628 56.048 0.107 0.000 1.195 67 H CB -0.175 29.666 29.762 0.132 0.000 1.368 67 H HN 0.182 nan 8.280 nan 0.000 0.592 68 L N 0.296 121.621 121.223 0.170 0.000 2.240 68 L HA -0.059 4.280 4.340 -0.001 0.000 0.211 68 L C 2.067 179.002 176.870 0.109 0.000 1.106 68 L CA 0.707 55.626 54.840 0.131 0.000 0.793 68 L CB 0.119 42.231 42.059 0.089 0.000 0.927 68 L HN 0.080 nan 8.230 nan 0.000 0.446 69 E N -0.364 119.897 120.200 0.101 0.000 2.358 69 E HA 0.030 4.379 4.350 -0.001 0.000 0.195 69 E C 0.957 177.612 176.600 0.092 0.000 1.010 69 E CA 0.111 56.560 56.400 0.082 0.000 0.856 69 E CB 0.142 29.881 29.700 0.066 0.000 0.795 69 E HN 0.337 nan 8.360 nan 0.000 0.504 70 S N 0.048 115.820 115.700 0.121 0.000 2.626 70 S HA 0.375 4.844 4.470 -0.001 0.000 0.257 70 S C 0.722 175.392 174.600 0.116 0.000 1.288 70 S CA -0.211 58.061 58.200 0.120 0.000 0.980 70 S CB 0.862 64.150 63.200 0.146 0.000 0.975 70 S HN 0.252 nan 8.310 nan 0.000 0.577 71 G N -0.871 107.997 108.800 0.112 0.000 2.588 71 G HA2 0.470 4.430 3.960 -0.001 0.000 0.281 71 G HA3 0.470 4.430 3.960 -0.001 0.000 0.281 71 G C 1.154 176.139 174.900 0.142 0.000 1.236 71 G CA -0.212 44.954 45.100 0.110 0.000 0.969 71 G HN 0.785 nan 8.290 nan 0.000 0.504 72 L N -0.950 120.353 121.223 0.134 0.000 2.131 72 L HA 0.047 4.386 4.340 -0.001 0.000 0.210 72 L C 2.836 179.816 176.870 0.184 0.000 1.092 72 L CA 2.508 57.447 54.840 0.165 0.000 0.759 72 L CB -1.439 40.696 42.059 0.126 0.000 0.903 72 L HN 0.441 nan 8.230 nan 0.000 0.435 73 V N -0.252 119.763 119.914 0.168 0.000 2.492 73 V HA -0.028 4.092 4.120 -0.001 0.000 0.241 73 V C 3.187 179.518 176.094 0.394 0.000 1.041 73 V CA 1.794 64.240 62.300 0.243 0.000 1.057 73 V CB -0.669 31.263 31.823 0.181 0.000 0.711 73 V HN 0.725 nan 8.190 nan 0.000 0.468 74 K N 1.029 121.584 120.400 0.258 0.000 2.063 74 K HA -0.129 4.190 4.320 -0.001 0.000 0.208 74 K C 2.255 178.989 176.600 0.223 0.000 1.048 74 K CA 1.928 58.351 56.287 0.226 0.000 0.928 74 K CB -1.724 30.856 32.500 0.134 0.000 0.713 74 K HN 0.581 nan 8.250 nan 0.000 0.442 75 G N -0.298 108.624 108.800 0.204 0.000 2.418 75 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.217 75 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.217 75 G C 1.575 176.548 174.900 0.123 0.000 1.158 75 G CA 0.963 46.163 45.100 0.166 0.000 0.771 75 G HN 0.563 nan 8.290 nan 0.000 0.545 76 F N 0.829 120.796 119.950 0.028 0.000 2.065 76 F HA -0.095 4.431 4.527 -0.001 0.000 0.298 76 F C 2.219 177.905 175.800 -0.189 0.000 1.112 76 F CA 1.747 59.680 58.000 -0.113 0.000 1.212 76 F CB -0.213 38.682 39.000 -0.174 0.000 0.975 76 F HN 0.121 nan 8.300 nan 0.000 0.476 77 F N 0.297 120.349 119.950 0.170 0.000 2.367 77 F HA -0.018 4.509 4.527 -0.001 0.000 0.298 77 F C 2.834 178.612 175.800 -0.038 0.000 1.094 77 F CA 1.359 59.397 58.000 0.062 0.000 1.409 77 F CB -1.365 37.731 39.000 0.160 0.000 1.064 77 F HN 0.147 nan 8.300 nan 0.000 0.528 78 Q N 0.209 120.039 119.800 0.051 0.000 2.119 78 Q HA -0.147 4.192 4.340 -0.001 0.000 0.201 78 Q C 2.168 177.989 176.000 -0.297 0.000 0.972 78 Q CA 1.738 57.459 55.803 -0.136 0.000 0.847 78 Q CB -1.439 27.144 28.738 -0.258 0.000 0.903 78 Q HN 0.485 nan 8.270 nan 0.000 0.433 79 S N -0.092 115.389 115.700 -0.365 0.000 2.489 79 S HA 0.085 4.554 4.470 -0.001 0.000 0.228 79 S C 1.789 176.541 174.600 0.253 0.000 0.995 79 S CA 0.900 59.061 58.200 -0.065 0.000 0.934 79 S CB -0.195 63.054 63.200 0.083 0.000 0.771 79 S HN 0.586 nan 8.310 nan 0.000 0.522 80 L N -0.239 121.021 121.223 0.063 0.000 2.599 80 L HA 0.259 4.598 4.340 -0.001 0.000 0.230 80 L C 0.875 178.068 176.870 0.538 0.000 1.141 80 L CA 0.028 54.973 54.840 0.174 0.000 0.877 80 L CB -0.114 41.905 42.059 -0.067 0.000 1.009 80 L HN 0.473 nan 8.230 nan 0.000 0.447 81 W N 2.737 124.201 121.300 0.273 0.000 2.573 81 W HA 0.307 4.966 4.660 -0.001 0.000 0.326 81 W C -2.373 174.127 176.519 -0.033 0.000 1.049 81 W CA -1.984 55.475 57.345 0.190 0.000 1.220 81 W CB 2.207 31.719 29.460 0.088 0.000 1.373 81 W HN -0.246 nan 8.180 nan 0.000 0.507 82 P HA 0.061 nan 4.420 nan 0.000 0.275 82 P C -0.360 176.772 177.300 -0.280 0.000 1.276 82 P CA 0.278 62.887 63.100 -0.818 0.000 0.782 82 P CB 0.959 32.211 31.700 -0.748 0.000 0.851 83 S N 1.994 117.583 115.700 -0.184 0.000 2.632 83 S HA 0.546 5.015 4.470 -0.001 0.000 0.267 83 S C 0.639 175.182 174.600 -0.095 0.000 1.276 83 S CA -0.553 57.622 58.200 -0.041 0.000 0.998 83 S CB 0.775 63.989 63.200 0.022 0.000 0.953 83 S HN 0.615 nan 8.310 nan 0.000 0.547 84 A N 0.945 123.738 122.820 -0.045 0.000 2.332 84 A HA 0.418 4.737 4.320 -0.001 0.000 0.258 84 A C 1.348 178.898 177.584 -0.056 0.000 1.087 84 A CA -0.638 51.369 52.037 -0.051 0.000 0.802 84 A CB -0.068 18.917 19.000 -0.025 0.000 1.042 84 A HN 0.635 nan 8.150 nan 0.000 0.489 85 V N 1.630 121.509 119.914 -0.059 0.000 2.287 85 V HA -0.240 3.879 4.120 -0.001 0.000 0.248 85 V C 2.561 178.626 176.094 -0.047 0.000 1.053 85 V CA 2.424 64.689 62.300 -0.060 0.000 1.027 85 V CB -0.992 30.795 31.823 -0.061 0.000 0.646 85 V HN 1.019 nan 8.190 nan 0.000 0.447 86 E N 0.315 120.493 120.200 -0.037 0.000 2.396 86 E HA -0.219 4.131 4.350 -0.001 0.000 0.200 86 E C 1.165 177.750 176.600 -0.025 0.000 1.023 86 E CA 1.213 57.596 56.400 -0.028 0.000 0.857 86 E CB -0.538 29.150 29.700 -0.021 0.000 0.775 86 E HN 0.653 nan 8.360 nan 0.000 0.525 87 N N -0.261 118.423 118.700 -0.027 0.000 2.184 87 N HA 0.049 4.788 4.740 -0.001 0.000 0.206 87 N C -0.597 174.887 175.510 -0.044 0.000 1.151 87 N CA -0.024 53.012 53.050 -0.022 0.000 0.878 87 N CB 0.741 39.226 38.487 -0.003 0.000 1.014 87 N HN 0.075 nan 8.380 nan 0.000 0.512 88 c N 1.959 120.525 118.600 -0.057 0.000 2.293 88 c HA 0.412 4.981 4.570 -0.001 0.000 0.323 88 c C 0.117 174.165 174.090 -0.071 0.000 1.240 88 c CA -0.233 56.046 56.329 -0.083 0.000 1.497 88 c CB -0.705 41.756 42.510 -0.081 0.000 2.171 88 c HN 0.143 nan 8.230 nan 0.000 0.465 89 T N 8.784 123.293 114.554 -0.075 0.000 2.723 89 T HA 0.269 4.618 4.350 -0.001 0.000 0.297 89 T C -2.484 172.188 174.700 -0.048 0.000 0.925 89 T CA -0.458 61.609 62.100 -0.054 0.000 1.030 89 T CB 0.739 69.581 68.868 -0.043 0.000 0.905 89 T HN 0.544 nan 8.240 nan 0.000 0.502 90 P HA 0.053 nan 4.420 nan 0.000 0.261 90 P C -0.162 177.136 177.300 -0.004 0.000 1.183 90 P CA -0.084 62.996 63.100 -0.032 0.000 0.761 90 P CB 0.274 31.941 31.700 -0.055 0.000 0.785 91 N N 2.628 121.346 118.700 0.031 0.000 2.936 91 N HA 0.177 4.916 4.740 -0.001 0.000 0.243 91 N C 1.501 177.078 175.510 0.113 0.000 1.149 91 N CA -0.257 52.837 53.050 0.073 0.000 0.914 91 N CB -0.246 38.298 38.487 0.095 0.000 1.179 91 N HN 0.357 nan 8.380 nan 0.000 0.502 92 G N 0.738 109.590 108.800 0.087 0.000 2.485 92 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.221 92 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.221 92 G C 1.274 176.284 174.900 0.183 0.000 1.115 92 G CA 0.992 46.156 45.100 0.106 0.000 0.751 92 G HN 0.703 nan 8.290 nan 0.000 0.567 93 H N -0.247 118.874 119.070 0.084 0.000 2.357 93 H HA 0.024 4.580 4.556 -0.001 0.000 0.301 93 H C 2.323 177.699 175.328 0.080 0.000 1.082 93 H CA 1.377 57.469 56.048 0.073 0.000 1.342 93 H CB -0.150 29.636 29.762 0.040 0.000 1.389 93 H HN 0.233 nan 8.280 nan 0.000 0.511 94 L N 0.004 121.296 121.223 0.114 0.000 2.046 94 L HA -0.165 4.175 4.340 -0.001 0.000 0.208 94 L C 2.359 179.232 176.870 0.006 0.000 1.077 94 L CA 1.883 56.752 54.840 0.049 0.000 0.747 94 L CB -1.053 41.090 42.059 0.140 0.000 0.896 94 L HN 0.539 nan 8.230 nan 0.000 0.432 95 W N 0.670 121.930 121.300 -0.066 0.000 2.333 95 W HA -0.292 4.367 4.660 -0.001 0.000 0.316 95 W C 2.090 178.563 176.519 -0.076 0.000 1.215 95 W CA 1.970 59.274 57.345 -0.067 0.000 1.278 95 W CB -0.418 29.025 29.460 -0.029 0.000 1.154 95 W HN 0.349 nan 8.180 nan 0.000 0.486 96 N N 0.469 119.212 118.700 0.072 0.000 2.289 96 N HA -0.152 4.587 4.740 -0.001 0.000 0.184 96 N C 1.680 177.067 175.510 -0.204 0.000 1.016 96 N CA 1.610 54.639 53.050 -0.035 0.000 0.872 96 N CB -0.856 37.632 38.487 0.002 0.000 0.973 96 N HN 0.087 nan 8.380 nan 0.000 0.433 97 V N 1.296 121.023 119.914 -0.311 0.000 2.302 97 V HA -0.140 3.979 4.120 -0.001 0.000 0.243 97 V C 2.325 178.238 176.094 -0.301 0.000 1.036 97 V CA 1.098 63.212 62.300 -0.310 0.000 1.020 97 V CB -0.310 31.306 31.823 -0.346 0.000 0.657 97 V HN 0.184 nan 8.190 nan 0.000 0.453 98 M N -0.682 118.680 119.600 -0.397 0.000 2.073 98 M HA -0.210 4.269 4.480 -0.001 0.000 0.258 98 M C 2.228 178.332 176.300 -0.327 0.000 1.070 98 M CA 2.047 57.039 55.300 -0.512 0.000 1.103 98 M CB -1.353 30.913 32.600 -0.556 0.000 1.321 98 M HN 0.252 nan 8.290 nan 0.000 0.405 99 I N 0.509 120.837 120.570 -0.403 0.000 2.163 99 I HA -0.254 3.915 4.170 -0.001 0.000 0.243 99 I C 2.430 178.563 176.117 0.026 0.000 1.085 99 I CA 1.660 62.834 61.300 -0.209 0.000 1.347 99 I CB -0.798 37.024 38.000 -0.296 0.000 1.044 99 I HN 0.337 nan 8.210 nan 0.000 0.408 100 T N -0.285 114.267 114.554 -0.003 0.000 2.777 100 T HA -0.091 4.258 4.350 -0.001 0.000 0.266 100 T C 1.933 176.722 174.700 0.148 0.000 1.040 100 T CA 1.332 63.487 62.100 0.090 0.000 1.141 100 T CB -0.923 67.967 68.868 0.036 0.000 0.868 100 T HN 0.530 nan 8.240 nan 0.000 0.444 101 G N 0.875 109.742 108.800 0.112 0.000 2.433 101 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.216 101 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.216 101 G C 1.297 176.448 174.900 0.418 0.000 1.186 101 G CA 1.372 46.632 45.100 0.267 0.000 0.779 101 G HN 0.620 nan 8.290 nan 0.000 0.543 102 H N 0.885 120.174 119.070 0.365 0.000 2.319 102 H HA -0.050 4.505 4.556 -0.001 0.000 0.297 102 H C 2.624 178.028 175.328 0.127 0.000 1.097 102 H CA 2.369 58.591 56.048 0.289 0.000 1.285 102 H CB -0.727 29.159 29.762 0.207 0.000 1.368 102 H HN 0.237 nan 8.280 nan 0.000 0.495 103 G N 1.136 109.895 108.800 -0.068 0.000 2.433 103 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.216 103 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.216 103 G C 1.681 176.500 174.900 -0.135 0.000 1.186 103 G CA 1.043 45.992 45.100 -0.250 0.000 0.779 103 G HN 0.405 nan 8.290 nan 0.000 0.543 104 I N 0.948 121.631 120.570 0.190 0.000 2.163 104 I HA -0.118 4.052 4.170 -0.001 0.000 0.243 104 I C 2.894 179.237 176.117 0.377 0.000 1.085 104 I CA 0.945 62.483 61.300 0.397 0.000 1.347 104 I CB -1.122 37.127 38.000 0.416 0.000 1.044 104 I HN 0.171 nan 8.210 nan 0.000 0.408 105 L N -0.406 121.004 121.223 0.312 0.000 1.989 105 L HA -0.255 4.084 4.340 -0.001 0.000 0.211 105 L C 2.796 179.746 176.870 0.134 0.000 1.071 105 L CA 1.273 56.316 54.840 0.338 0.000 0.749 105 L CB -0.585 41.592 42.059 0.196 0.000 0.890 105 L HN 0.208 nan 8.230 nan 0.000 0.431 106 M N -0.902 118.641 119.600 -0.095 0.000 2.065 106 M HA -0.205 4.275 4.480 -0.001 0.000 0.259 106 M C 2.235 178.360 176.300 -0.292 0.000 1.069 106 M CA 1.865 57.032 55.300 -0.222 0.000 1.110 106 M CB -0.888 31.465 32.600 -0.412 0.000 1.328 106 M HN 0.250 nan 8.290 nan 0.000 0.405 107 M N -2.042 117.296 119.600 -0.438 0.000 2.492 107 M HA -0.008 4.472 4.480 -0.001 0.000 0.262 107 M C 1.298 177.145 176.300 -0.756 0.000 1.090 107 M CA 1.122 56.004 55.300 -0.696 0.000 1.110 107 M CB -0.725 31.213 32.600 -1.104 0.000 1.407 107 M HN 0.140 nan 8.290 nan 0.000 0.470 108 F N -2.354 117.399 119.950 -0.328 0.000 2.784 108 F HA 0.177 4.704 4.527 -0.001 0.000 0.316 108 F C 0.925 176.293 175.800 -0.722 0.000 1.026 108 F CA 0.042 57.667 58.000 -0.625 0.000 1.188 108 F CB 0.331 38.728 39.000 -1.006 0.000 0.999 108 F HN -0.123 nan 8.300 nan 0.000 0.605 109 F N -1.546 118.583 119.950 0.298 0.000 2.772 109 F HA 0.366 4.892 4.527 -0.001 0.000 0.316 109 F C 0.812 176.803 175.800 0.319 0.000 1.114 109 F CA -0.170 58.080 58.000 0.416 0.000 1.191 109 F CB -0.124 39.096 39.000 0.365 0.000 1.065 109 F HN -0.282 nan 8.300 nan 0.000 0.534 110 V N -1.173 118.874 119.914 0.221 0.000 3.927 110 V HA -0.011 4.109 4.120 -0.001 0.000 0.190 110 V C 1.982 178.098 176.094 0.036 0.000 1.201 110 V CA 0.837 63.222 62.300 0.142 0.000 1.324 110 V CB -0.063 31.805 31.823 0.075 0.000 1.545 110 V HN -0.026 nan 8.190 nan 0.000 0.534 111 V N -0.607 119.278 119.914 -0.048 0.000 2.379 111 V HA -0.074 4.045 4.120 -0.001 0.000 0.245 111 V C 2.128 178.188 176.094 -0.057 0.000 1.044 111 V CA 1.882 64.142 62.300 -0.066 0.000 1.036 111 V CB -0.743 31.013 31.823 -0.112 0.000 0.664 111 V HN 0.470 nan 8.190 nan 0.000 0.453 112 I N 0.602 121.112 120.570 -0.101 0.000 2.202 112 I HA -0.053 4.116 4.170 -0.001 0.000 0.242 112 I C 0.079 176.148 176.117 -0.081 0.000 1.091 112 I CA 1.463 62.708 61.300 -0.092 0.000 1.368 112 I CB -1.712 36.187 38.000 -0.168 0.000 1.058 112 I HN 0.315 nan 8.210 nan 0.000 0.410 113 P HA -0.217 nan 4.420 nan 0.000 0.216 113 P C 1.422 178.637 177.300 -0.142 0.000 1.150 113 P CA 1.975 64.914 63.100 -0.269 0.000 0.843 113 P CB -0.021 31.420 31.700 -0.432 0.000 0.787 114 A N -1.342 121.450 122.820 -0.046 0.000 1.897 114 A HA -0.094 4.226 4.320 -0.001 0.000 0.215 114 A C 2.180 179.742 177.584 -0.037 0.000 1.181 114 A CA 1.297 53.302 52.037 -0.054 0.000 0.620 114 A CB -1.391 17.596 19.000 -0.021 0.000 0.821 114 A HN 0.115 nan 8.150 nan 0.000 0.443 115 L N -2.847 118.436 121.223 0.100 0.000 2.145 115 L HA 0.061 4.400 4.340 -0.001 0.000 0.201 115 L C 2.399 179.459 176.870 0.317 0.000 1.075 115 L CA 1.041 56.064 54.840 0.305 0.000 0.773 115 L CB -0.384 41.842 42.059 0.278 0.000 0.936 115 L HN 0.454 nan 8.230 nan 0.000 0.451 116 F N 0.448 120.395 119.950 -0.006 0.000 2.123 116 F HA 0.077 4.603 4.527 -0.001 0.000 0.289 116 F C 2.231 177.916 175.800 -0.192 0.000 1.099 116 F CA 1.433 59.388 58.000 -0.074 0.000 1.234 116 F CB -0.579 38.343 39.000 -0.130 0.000 1.034 116 F HN -0.067 nan 8.300 nan 0.000 0.479 117 G N -0.638 107.953 108.800 -0.348 0.000 2.421 117 G HA2 -0.021 3.938 3.960 -0.001 0.000 0.217 117 G HA3 -0.021 3.938 3.960 -0.001 0.000 0.217 117 G C 1.676 176.264 174.900 -0.520 0.000 1.143 117 G CA 0.691 45.207 45.100 -0.973 0.000 0.784 117 G HN 0.625 nan 8.290 nan 0.000 0.541 118 G N 0.514 109.167 108.800 -0.244 0.000 2.658 118 G HA2 0.128 4.088 3.960 -0.001 0.000 0.217 118 G HA3 0.128 4.088 3.960 -0.001 0.000 0.217 118 G C 1.355 176.217 174.900 -0.063 0.000 1.319 118 G CA 0.332 45.342 45.100 -0.151 0.000 0.885 118 G HN 0.177 nan 8.290 nan 0.000 0.553 119 F N 2.062 122.127 119.950 0.191 0.000 2.293 119 F HA 0.114 4.640 4.527 -0.001 0.000 0.300 119 F C 2.814 178.868 175.800 0.424 0.000 1.086 119 F CA 0.553 58.740 58.000 0.311 0.000 1.375 119 F CB -0.740 38.481 39.000 0.368 0.000 1.045 119 F HN 0.217 nan 8.300 nan 0.000 0.516 120 G N -0.053 109.000 108.800 0.422 0.000 2.404 120 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.215 120 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.215 120 G C 1.763 176.647 174.900 -0.028 0.000 1.174 120 G CA 0.727 45.890 45.100 0.106 0.000 0.780 120 G HN 0.220 nan 8.290 nan 0.000 0.537 121 N N -0.297 118.348 118.700 -0.092 0.000 2.084 121 N HA -0.124 4.615 4.740 -0.001 0.000 0.190 121 N C 1.888 177.423 175.510 0.042 0.000 1.030 121 N CA 1.085 54.099 53.050 -0.059 0.000 0.849 121 N CB -0.483 37.992 38.487 -0.021 0.000 1.012 121 N HN 0.385 nan 8.380 nan 0.000 0.423 122 Y N -0.130 120.134 120.300 -0.061 0.000 2.145 122 Y HA -0.124 4.426 4.550 -0.001 0.000 0.286 122 Y C 1.599 177.212 175.900 -0.477 0.000 1.145 122 Y CA 1.622 59.563 58.100 -0.265 0.000 1.148 122 Y CB -0.257 37.911 38.460 -0.487 0.000 0.981 122 Y HN -0.046 nan 8.280 nan 0.000 0.507 123 F N -2.450 117.518 119.950 0.030 0.000 2.717 123 F HA 0.034 4.561 4.527 -0.001 0.000 0.297 123 F C 2.152 177.733 175.800 -0.365 0.000 1.113 123 F CA 0.122 57.928 58.000 -0.324 0.000 1.319 123 F CB -0.248 38.244 39.000 -0.846 0.000 1.097 123 F HN -0.004 nan 8.300 nan 0.000 0.595 124 M N 1.546 121.186 119.600 0.067 0.000 2.117 124 M HA -0.058 4.421 4.480 -0.001 0.000 0.262 124 M C -1.071 175.206 176.300 -0.038 0.000 1.065 124 M CA 2.088 57.424 55.300 0.061 0.000 1.114 124 M CB -1.549 31.057 32.600 0.010 0.000 1.361 124 M HN -0.085 nan 8.290 nan 0.000 0.408 125 P HA -0.093 nan 4.420 nan 0.000 0.215 125 P C 1.866 179.068 177.300 -0.162 0.000 1.157 125 P CA 1.229 64.146 63.100 -0.304 0.000 0.863 125 P CB -0.297 30.941 31.700 -0.770 0.000 0.787 126 L N -1.352 119.785 121.223 -0.145 0.000 2.042 126 L HA -0.232 4.108 4.340 -0.001 0.000 0.210 126 L C 2.533 179.508 176.870 0.176 0.000 1.076 126 L CA 1.815 56.654 54.840 -0.002 0.000 0.749 126 L CB -1.353 40.698 42.059 -0.014 0.000 0.893 126 L HN 0.185 nan 8.230 nan 0.000 0.432 127 H N 0.047 119.225 119.070 0.180 0.000 2.423 127 H HA -0.076 4.480 4.556 -0.001 0.000 0.297 127 H C 2.139 177.548 175.328 0.135 0.000 1.075 127 H CA 1.241 57.435 56.048 0.243 0.000 1.342 127 H CB 0.097 30.099 29.762 0.399 0.000 1.395 127 H HN 0.480 nan 8.280 nan 0.000 0.530 128 I N -3.095 117.568 120.570 0.155 0.000 3.883 128 I HA 0.360 4.530 4.170 -0.001 0.000 0.326 128 I C 1.234 177.334 176.117 -0.027 0.000 1.283 128 I CA 0.389 61.689 61.300 -0.000 0.000 1.161 128 I CB 0.507 38.420 38.000 -0.145 0.000 1.012 128 I HN 0.130 nan 8.210 nan 0.000 0.421 129 G N 1.928 110.733 108.800 0.009 0.000 2.246 129 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.273 129 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.273 129 G C 0.211 175.080 174.900 -0.051 0.000 1.055 129 G CA 0.156 45.250 45.100 -0.009 0.000 0.851 129 G HN 0.943 nan 8.290 nan 0.000 0.500 130 A N 0.204 122.972 122.820 -0.086 0.000 2.306 130 A HA 0.868 5.188 4.320 -0.001 0.000 0.314 130 A C -0.020 177.502 177.584 -0.103 0.000 1.164 130 A CA -0.853 51.118 52.037 -0.110 0.000 0.822 130 A CB 1.197 20.106 19.000 -0.151 0.000 1.130 130 A HN 0.124 nan 8.150 nan 0.000 0.496 131 P HA -0.054 nan 4.420 nan 0.000 0.215 131 P C 0.059 177.358 177.300 -0.002 0.000 1.157 131 P CA 1.294 64.372 63.100 -0.037 0.000 0.863 131 P CB 0.314 31.990 31.700 -0.040 0.000 0.787 132 D N -2.868 117.502 120.400 -0.050 0.000 2.759 132 D HA 0.248 4.887 4.640 -0.001 0.000 0.321 132 D C -0.304 175.915 176.300 -0.135 0.000 1.267 132 D CA -0.595 53.395 54.000 -0.016 0.000 0.933 132 D CB 1.237 42.065 40.800 0.047 0.000 1.431 132 D HN -0.307 nan 8.370 nan 0.000 0.504 133 M N 1.114 120.649 119.600 -0.107 0.000 2.240 133 M HA 0.236 4.715 4.480 -0.001 0.000 0.333 133 M C 1.340 177.553 176.300 -0.144 0.000 1.110 133 M CA -0.046 55.185 55.300 -0.115 0.000 1.173 133 M CB 0.649 33.222 32.600 -0.045 0.000 1.458 133 M HN 0.611 nan 8.290 nan 0.000 0.458 134 A N 2.678 125.358 122.820 -0.234 0.000 1.903 134 A HA -0.139 4.180 4.320 -0.001 0.000 0.219 134 A C 0.590 177.768 177.584 -0.677 0.000 1.191 134 A CA 1.793 53.508 52.037 -0.537 0.000 0.638 134 A CB -0.445 18.091 19.000 -0.773 0.000 0.823 134 A HN 0.652 nan 8.150 nan 0.000 0.451 135 F N -1.530 118.427 119.950 0.012 0.000 2.453 135 F HA 0.384 4.910 4.527 -0.001 0.000 0.358 135 F C -2.084 173.735 175.800 0.032 0.000 1.129 135 F CA -2.187 55.827 58.000 0.023 0.000 1.200 135 F CB 1.185 40.203 39.000 0.030 0.000 1.431 135 F HN 0.006 nan 8.300 nan 0.000 0.503 136 P HA -0.202 nan 4.420 nan 0.000 0.219 136 P C 1.966 179.342 177.300 0.127 0.000 1.146 136 P CA 1.685 64.847 63.100 0.103 0.000 0.808 136 P CB 0.186 31.920 31.700 0.057 0.000 0.779 137 R N -0.277 120.311 120.500 0.147 0.000 2.062 137 R HA 0.009 4.349 4.340 -0.001 0.000 0.229 137 R C 2.163 178.556 176.300 0.154 0.000 1.128 137 R CA 1.885 58.068 56.100 0.138 0.000 0.960 137 R CB -2.046 28.326 30.300 0.120 0.000 0.855 137 R HN 0.181 nan 8.270 nan 0.000 0.432 138 M N 1.026 120.724 119.600 0.164 0.000 2.106 138 M HA -0.204 4.275 4.480 -0.001 0.000 0.259 138 M C 2.042 178.449 176.300 0.178 0.000 1.068 138 M CA 2.270 57.659 55.300 0.147 0.000 1.100 138 M CB -0.219 32.460 32.600 0.131 0.000 1.351 138 M HN 0.492 nan 8.290 nan 0.000 0.404 139 N N 0.656 119.467 118.700 0.185 0.000 2.223 139 N HA -0.189 4.551 4.740 -0.001 0.000 0.185 139 N C 1.227 176.859 175.510 0.205 0.000 1.016 139 N CA 1.727 54.889 53.050 0.187 0.000 0.863 139 N CB -0.420 38.154 38.487 0.145 0.000 0.983 139 N HN 0.466 nan 8.380 nan 0.000 0.429 140 N N -0.448 118.367 118.700 0.191 0.000 2.171 140 N HA -0.088 4.652 4.740 -0.001 0.000 0.184 140 N C 1.643 177.357 175.510 0.340 0.000 1.021 140 N CA 0.635 53.820 53.050 0.225 0.000 0.854 140 N CB -0.322 38.302 38.487 0.228 0.000 0.994 140 N HN 0.154 nan 8.380 nan 0.000 0.426 141 L N 0.576 121.983 121.223 0.307 0.000 2.012 141 L HA -0.062 4.277 4.340 -0.001 0.000 0.210 141 L C 2.152 179.209 176.870 0.312 0.000 1.073 141 L CA 1.636 56.669 54.840 0.320 0.000 0.748 141 L CB -1.275 40.909 42.059 0.210 0.000 0.891 141 L HN 0.135 nan 8.230 nan 0.000 0.431 142 S N -1.273 114.596 115.700 0.281 0.000 2.390 142 S HA -0.346 4.124 4.470 -0.001 0.000 0.234 142 S C 1.894 176.707 174.600 0.355 0.000 1.063 142 S CA 2.140 60.535 58.200 0.325 0.000 1.108 142 S CB -0.831 62.586 63.200 0.362 0.000 0.975 142 S HN 0.696 nan 8.310 nan 0.000 0.442 143 Y N 0.142 120.501 120.300 0.098 0.000 2.224 143 Y HA -0.164 4.385 4.550 -0.001 0.000 0.289 143 Y C 1.843 177.643 175.900 -0.168 0.000 1.146 143 Y CA 1.346 59.294 58.100 -0.253 0.000 1.182 143 Y CB -0.480 37.609 38.460 -0.618 0.000 0.983 143 Y HN 0.338 nan 8.280 nan 0.000 0.524 144 W N -0.027 121.295 121.300 0.037 0.000 2.436 144 W HA -0.090 4.569 4.660 -0.001 0.000 0.284 144 W C 2.156 178.648 176.519 -0.046 0.000 1.225 144 W CA 0.845 58.159 57.345 -0.052 0.000 1.271 144 W CB -0.275 29.227 29.460 0.069 0.000 1.114 144 W HN 0.022 nan 8.180 nan 0.000 0.559 145 L N -0.764 120.613 121.223 0.256 0.000 2.046 145 L HA -0.272 4.067 4.340 -0.001 0.000 0.208 145 L C 2.423 179.426 176.870 0.221 0.000 1.077 145 L CA 1.454 56.426 54.840 0.220 0.000 0.747 145 L CB -1.192 41.006 42.059 0.232 0.000 0.896 145 L HN 0.091 nan 8.230 nan 0.000 0.432 146 Y N 0.450 120.808 120.300 0.096 0.000 2.224 146 Y HA -0.186 4.364 4.550 -0.001 0.000 0.289 146 Y C 2.218 178.124 175.900 0.010 0.000 1.146 146 Y CA 1.361 59.545 58.100 0.140 0.000 1.182 146 Y CB -0.477 38.096 38.460 0.189 0.000 0.983 146 Y HN -0.127 nan 8.280 nan 0.000 0.524 147 V N 0.643 120.263 119.914 -0.490 0.000 2.379 147 V HA -0.215 3.905 4.120 -0.001 0.000 0.245 147 V C 2.745 178.712 176.094 -0.212 0.000 1.044 147 V CA 1.618 63.617 62.300 -0.502 0.000 1.036 147 V CB -1.568 30.015 31.823 -0.399 0.000 0.664 147 V HN 0.540 nan 8.190 nan 0.000 0.453 148 A N 0.796 123.588 122.820 -0.047 0.000 1.873 148 A HA -0.051 4.269 4.320 -0.001 0.000 0.215 148 A C 2.438 180.006 177.584 -0.028 0.000 1.186 148 A CA 1.873 53.911 52.037 0.001 0.000 0.616 148 A CB -1.307 17.731 19.000 0.064 0.000 0.823 148 A HN 0.500 nan 8.150 nan 0.000 0.442 149 G N -0.824 107.992 108.800 0.026 0.000 2.476 149 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.218 149 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.218 149 G C 1.598 176.229 174.900 -0.448 0.000 1.164 149 G CA 1.780 46.913 45.100 0.055 0.000 0.768 149 G HN 0.428 nan 8.290 nan 0.000 0.560 150 T N 1.153 115.305 114.554 -0.670 0.000 2.684 150 T HA -0.127 4.223 4.350 -0.001 0.000 0.267 150 T C 2.831 177.257 174.700 -0.456 0.000 1.036 150 T CA 1.599 63.157 62.100 -0.904 0.000 1.148 150 T CB -0.352 68.143 68.868 -0.622 0.000 0.863 150 T HN 0.259 nan 8.240 nan 0.000 0.436 151 S N 1.196 116.741 115.700 -0.257 0.000 2.359 151 S HA -0.017 4.453 4.470 -0.001 0.000 0.224 151 S C 2.051 176.616 174.600 -0.058 0.000 1.035 151 S CA 0.961 59.093 58.200 -0.113 0.000 1.018 151 S CB -0.537 62.626 63.200 -0.062 0.000 0.876 151 S HN 0.352 nan 8.310 nan 0.000 0.448 152 L N 1.020 122.210 121.223 -0.055 0.000 2.012 152 L HA -0.188 4.152 4.340 -0.001 0.000 0.210 152 L C 2.849 179.734 176.870 0.025 0.000 1.073 152 L CA 1.396 56.253 54.840 0.028 0.000 0.748 152 L CB -0.884 41.226 42.059 0.085 0.000 0.891 152 L HN 0.342 nan 8.230 nan 0.000 0.431 153 A N -0.291 122.484 122.820 -0.075 0.000 1.908 153 A HA -0.167 4.152 4.320 -0.001 0.000 0.218 153 A C 2.307 179.911 177.584 0.033 0.000 1.181 153 A CA 1.984 54.003 52.037 -0.029 0.000 0.627 153 A CB -0.845 18.067 19.000 -0.148 0.000 0.818 153 A HN 0.231 nan 8.150 nan 0.000 0.445 154 V N -0.327 119.598 119.914 0.017 0.000 2.427 154 V HA -0.192 3.927 4.120 -0.001 0.000 0.248 154 V C 3.017 179.255 176.094 0.239 0.000 1.051 154 V CA 1.738 64.121 62.300 0.138 0.000 1.048 154 V CB -1.160 30.741 31.823 0.131 0.000 0.666 154 V HN 0.619 nan 8.190 nan 0.000 0.456 155 A N 0.860 123.793 122.820 0.188 0.000 1.933 155 A HA -0.219 4.100 4.320 -0.001 0.000 0.218 155 A C 2.564 180.278 177.584 0.216 0.000 1.175 155 A CA 2.180 54.361 52.037 0.239 0.000 0.628 155 A CB -0.788 18.308 19.000 0.161 0.000 0.814 155 A HN 0.689 nan 8.150 nan 0.000 0.444 156 S N 0.290 116.070 115.700 0.133 0.000 2.400 156 S HA -0.138 4.331 4.470 -0.001 0.000 0.232 156 S C 1.774 176.375 174.600 0.002 0.000 1.025 156 S CA 1.522 59.767 58.200 0.075 0.000 0.993 156 S CB -0.826 62.413 63.200 0.065 0.000 0.808 156 S HN 0.483 nan 8.310 nan 0.000 0.478 157 L N -1.092 120.098 121.223 -0.055 0.000 2.275 157 L HA 0.086 4.426 4.340 -0.001 0.000 0.215 157 L C 1.595 178.184 176.870 -0.469 0.000 1.119 157 L CA 1.059 55.717 54.840 -0.303 0.000 0.790 157 L CB -0.498 41.279 42.059 -0.470 0.000 0.919 157 L HN 0.301 nan 8.230 nan 0.000 0.443 158 F N -0.459 119.514 119.950 0.038 0.000 2.682 158 F HA 0.362 4.888 4.527 -0.001 0.000 0.308 158 F C 1.300 177.102 175.800 0.005 0.000 1.093 158 F CA -0.524 57.495 58.000 0.032 0.000 1.244 158 F CB -0.065 38.960 39.000 0.041 0.000 1.052 158 F HN -0.151 nan 8.300 nan 0.000 0.573 159 A N 0.829 123.701 122.820 0.088 0.000 2.302 159 A HA 0.538 4.857 4.320 -0.001 0.000 0.285 159 A C -2.376 175.079 177.584 -0.215 0.000 1.105 159 A CA -1.612 50.375 52.037 -0.082 0.000 0.816 159 A CB -0.241 18.674 19.000 -0.142 0.000 1.067 159 A HN -0.122 nan 8.150 nan 0.000 0.489 160 P HA 0.124 nan 4.420 nan 0.000 0.256 160 P C 0.495 177.627 177.300 -0.279 0.000 1.173 160 P CA 1.130 64.061 63.100 -0.282 0.000 0.768 160 P CB 0.564 32.092 31.700 -0.287 0.000 0.758 161 G N 2.630 111.353 108.800 -0.130 0.000 3.302 161 G HA2 0.589 4.548 3.960 -0.001 0.000 0.170 161 G HA3 0.589 4.548 3.960 -0.001 0.000 0.170 161 G C -0.119 174.740 174.900 -0.069 0.000 1.119 161 G CA -0.440 44.623 45.100 -0.062 0.000 0.826 161 G HN 0.534 nan 8.290 nan 0.000 0.646 162 G N -1.122 107.663 108.800 -0.024 0.000 2.467 162 G HA2 0.387 4.347 3.960 -0.001 0.000 0.257 162 G HA3 0.387 4.347 3.960 -0.001 0.000 0.257 162 G C 0.178 174.825 174.900 -0.422 0.000 1.227 162 G CA 0.432 45.462 45.100 -0.116 0.000 0.835 162 G HN 0.885 nan 8.290 nan 0.000 0.556 163 N N -0.647 117.912 118.700 -0.234 0.000 2.754 163 N HA -0.195 4.545 4.740 -0.001 0.000 0.248 163 N C 1.275 176.674 175.510 -0.186 0.000 1.093 163 N CA 1.105 54.030 53.050 -0.209 0.000 0.699 163 N CB -1.067 37.275 38.487 -0.242 0.000 1.016 163 N HN 1.677 nan 8.380 nan 0.000 0.552 164 G N -1.079 107.636 108.800 -0.141 0.000 2.233 164 G HA2 -0.374 3.585 3.960 -0.001 0.000 0.270 164 G HA3 -0.374 3.585 3.960 -0.001 0.000 0.270 164 G C 0.021 174.857 174.900 -0.107 0.000 1.011 164 G CA 1.126 46.168 45.100 -0.097 0.000 0.762 164 G HN 0.584 nan 8.290 nan 0.000 0.511 165 Q N -1.557 118.132 119.800 -0.186 0.000 2.712 165 Q HA 0.757 5.097 4.340 -0.001 0.000 0.267 165 Q C 0.381 176.350 176.000 -0.053 0.000 1.062 165 Q CA -1.075 54.655 55.803 -0.122 0.000 0.888 165 Q CB 1.218 29.852 28.738 -0.172 0.000 1.374 165 Q HN 0.281 nan 8.270 nan 0.000 0.498 166 L N 0.507 121.751 121.223 0.036 0.000 2.334 166 L HA 0.638 4.977 4.340 -0.001 0.000 0.277 166 L C 0.433 177.362 176.870 0.098 0.000 1.075 166 L CA -0.252 54.610 54.840 0.037 0.000 0.804 166 L CB 1.019 43.100 42.059 0.037 0.000 1.174 166 L HN 0.874 nan 8.230 nan 0.000 0.438 167 G N 1.848 110.671 108.800 0.038 0.000 2.690 167 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.686 167 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.686 167 G C -0.740 174.213 174.900 0.089 0.000 1.277 167 G CA -0.872 44.234 45.100 0.011 0.000 0.799 167 G HN 0.537 nan 8.290 nan 0.000 0.613 168 S N 0.044 115.744 115.700 -0.000 0.000 2.438 168 S HA 0.631 5.100 4.470 -0.001 0.000 0.293 168 S C 0.770 175.325 174.600 -0.075 0.000 1.141 168 S CA 0.179 58.389 58.200 0.015 0.000 1.080 168 S CB 1.840 65.046 63.200 0.010 0.000 0.978 168 S HN 1.785 nan 8.310 nan 0.000 0.479 169 G N 2.067 110.821 108.800 -0.076 0.000 4.232 169 G HA2 0.475 4.434 3.960 -0.001 0.000 0.304 169 G HA3 0.475 4.434 3.960 -0.001 0.000 0.304 169 G C 0.437 175.333 174.900 -0.007 0.000 1.295 169 G CA -0.608 44.407 45.100 -0.142 0.000 1.398 169 G HN 0.853 nan 8.290 nan 0.000 0.571 170 I N -1.637 118.932 120.570 -0.001 0.000 4.338 170 I HA 0.527 4.697 4.170 -0.001 0.000 0.329 170 I C 0.754 176.869 176.117 -0.003 0.000 1.378 170 I CA -0.181 61.125 61.300 0.010 0.000 1.170 170 I CB 0.398 38.398 38.000 -0.000 0.000 1.206 170 I HN 0.415 nan 8.210 nan 0.000 0.432 171 G N 2.293 111.105 108.800 0.021 0.000 2.731 171 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.686 171 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.686 171 G C 0.056 174.989 174.900 0.055 0.000 1.395 171 G CA -0.021 45.103 45.100 0.039 0.000 0.870 171 G HN 0.674 nan 8.290 nan 0.000 0.591 172 W N 1.020 122.310 121.300 -0.018 0.000 2.538 172 W HA 0.030 4.689 4.660 -0.001 0.000 0.254 172 W C 1.308 177.840 176.519 0.021 0.000 1.249 172 W CA 1.855 59.208 57.345 0.014 0.000 1.253 172 W CB -1.021 28.439 29.460 0.001 0.000 1.130 172 W HN 1.118 nan 8.180 nan 0.000 0.618 173 V N -0.756 118.776 119.914 -0.637 0.000 3.578 173 V HA 0.215 4.334 4.120 -0.001 0.000 0.290 173 V C 1.331 177.342 176.094 -0.139 0.000 1.376 173 V CA -0.008 61.876 62.300 -0.693 0.000 1.083 173 V CB -1.056 30.165 31.823 -1.003 0.000 0.911 173 V HN 0.179 nan 8.190 nan 0.000 0.433 174 L N -1.357 119.806 121.223 -0.100 0.000 3.678 174 L HA -0.220 4.120 4.340 -0.001 0.000 0.425 174 L C -0.149 176.645 176.870 -0.127 0.000 1.240 174 L CA 0.059 54.857 54.840 -0.071 0.000 0.876 174 L CB -2.714 39.295 42.059 -0.083 0.000 1.766 174 L HN 0.331 nan 8.230 nan 0.000 0.917 175 Y N 1.408 121.573 120.300 -0.225 0.000 2.717 175 Y HA 0.207 4.756 4.550 -0.001 0.000 0.330 175 Y C -1.165 174.536 175.900 -0.331 0.000 1.217 175 Y CA -2.049 55.889 58.100 -0.271 0.000 1.506 175 Y CB 0.031 38.452 38.460 -0.065 0.000 1.268 175 Y HN 0.120 nan 8.280 nan 0.000 0.561 176 P HA 0.256 nan 4.420 nan 0.000 0.281 176 P C -2.341 174.919 177.300 -0.066 0.000 1.264 176 P CA -2.123 60.850 63.100 -0.211 0.000 0.824 176 P CB 1.225 32.751 31.700 -0.290 0.000 1.092 177 P HA 0.003 nan 4.420 nan 0.000 0.242 177 P C 1.452 178.761 177.300 0.015 0.000 1.197 177 P CA 0.149 63.264 63.100 0.025 0.000 0.765 177 P CB -0.143 31.586 31.700 0.050 0.000 0.936 178 L N 0.891 122.124 121.223 0.017 0.000 1.989 178 L HA -0.210 4.130 4.340 -0.001 0.000 0.211 178 L C 2.295 179.166 176.870 0.002 0.000 1.071 178 L CA 2.591 57.446 54.840 0.025 0.000 0.749 178 L CB -1.470 40.616 42.059 0.046 0.000 0.890 178 L HN 0.035 nan 8.230 nan 0.000 0.431 179 S N -1.934 113.743 115.700 -0.037 0.000 2.382 179 S HA -0.192 4.277 4.470 -0.001 0.000 0.228 179 S C 1.829 176.404 174.600 -0.042 0.000 1.027 179 S CA 1.439 59.603 58.200 -0.060 0.000 0.991 179 S CB -1.584 61.533 63.200 -0.138 0.000 0.823 179 S HN 0.687 nan 8.310 nan 0.000 0.469 180 T N -0.326 114.209 114.554 -0.031 0.000 3.113 180 T HA 0.163 4.513 4.350 -0.001 0.000 0.256 180 T C 1.626 176.334 174.700 0.013 0.000 1.131 180 T CA 0.753 62.857 62.100 0.005 0.000 1.074 180 T CB -0.252 68.646 68.868 0.050 0.000 0.944 180 T HN 0.633 nan 8.240 nan 0.000 0.516 181 S N -0.516 115.192 115.700 0.012 0.000 2.578 181 S HA 0.256 4.725 4.470 -0.001 0.000 0.228 181 S C 0.267 174.876 174.600 0.014 0.000 1.022 181 S CA -0.507 57.702 58.200 0.015 0.000 0.967 181 S CB -0.131 63.081 63.200 0.021 0.000 0.914 181 S HN 0.428 nan 8.310 nan 0.000 0.515 182 E N 3.030 123.239 120.200 0.015 0.000 2.558 182 E HA 0.207 4.557 4.350 -0.001 0.000 0.255 182 E C -0.261 176.345 176.600 0.009 0.000 0.968 182 E CA 0.181 56.594 56.400 0.021 0.000 0.939 182 E CB 0.283 30.000 29.700 0.030 0.000 0.921 182 E HN 0.331 nan 8.360 nan 0.000 0.477 183 S N 2.659 118.358 115.700 -0.002 0.000 2.580 183 S HA 0.485 4.955 4.470 -0.001 0.000 0.266 183 S C 0.469 175.057 174.600 -0.020 0.000 1.354 183 S CA 0.100 58.293 58.200 -0.013 0.000 1.008 183 S CB 0.548 63.730 63.200 -0.031 0.000 0.898 183 S HN 1.017 nan 8.310 nan 0.000 0.555 184 G N 0.988 109.782 108.800 -0.010 0.000 2.681 184 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.220 184 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.220 184 G C -0.090 174.828 174.900 0.030 0.000 1.353 184 G CA 0.390 45.469 45.100 -0.035 0.000 0.872 184 G HN 1.184 nan 8.290 nan 0.000 0.557 185 Y N -2.162 118.154 120.300 0.026 0.000 2.445 185 Y HA 0.586 5.135 4.550 -0.001 0.000 0.247 185 Y C 2.552 178.475 175.900 0.039 0.000 1.129 185 Y CA 0.939 59.057 58.100 0.029 0.000 1.251 185 Y CB -0.366 38.121 38.460 0.045 0.000 1.176 185 Y HN 0.802 nan 8.280 nan 0.000 0.522 186 S N 1.014 116.617 115.700 -0.161 0.000 2.381 186 S HA -0.272 4.197 4.470 -0.001 0.000 0.230 186 S C 1.851 176.462 174.600 0.017 0.000 1.052 186 S CA 2.649 60.810 58.200 -0.064 0.000 1.068 186 S CB -0.744 62.402 63.200 -0.092 0.000 0.918 186 S HN 0.688 nan 8.310 nan 0.000 0.448 187 T N 1.838 116.395 114.554 0.005 0.000 2.833 187 T HA -0.073 4.277 4.350 -0.001 0.000 0.269 187 T C 1.384 176.059 174.700 -0.042 0.000 1.054 187 T CA 1.386 63.480 62.100 -0.011 0.000 1.135 187 T CB -0.449 68.408 68.868 -0.018 0.000 0.869 187 T HN 0.537 nan 8.240 nan 0.000 0.466 188 D N 1.291 121.679 120.400 -0.019 0.000 2.117 188 D HA 0.001 4.641 4.640 -0.001 0.000 0.198 188 D C 2.218 178.446 176.300 -0.120 0.000 0.982 188 D CA 0.735 54.651 54.000 -0.139 0.000 0.828 188 D CB -0.211 40.578 40.800 -0.018 0.000 0.967 188 D HN 0.328 nan 8.370 nan 0.000 0.464 189 L N 1.112 122.418 121.223 0.139 0.000 2.012 189 L HA -0.176 4.164 4.340 -0.001 0.000 0.210 189 L C 2.721 179.679 176.870 0.146 0.000 1.073 189 L CA 1.165 56.150 54.840 0.242 0.000 0.748 189 L CB -0.525 41.679 42.059 0.242 0.000 0.891 189 L HN -0.014 nan 8.230 nan 0.000 0.431 190 A N 0.093 122.951 122.820 0.065 0.000 1.978 190 A HA -0.190 4.130 4.320 -0.001 0.000 0.220 190 A C 2.178 179.743 177.584 -0.031 0.000 1.170 190 A CA 1.545 53.603 52.037 0.036 0.000 0.636 190 A CB -0.620 18.394 19.000 0.023 0.000 0.810 190 A HN 0.387 nan 8.150 nan 0.000 0.448 191 I N -1.892 118.604 120.570 -0.124 0.000 2.286 191 I HA -0.185 3.984 4.170 -0.001 0.000 0.245 191 I C 2.069 178.091 176.117 -0.158 0.000 1.104 191 I CA 0.992 62.148 61.300 -0.239 0.000 1.397 191 I CB -0.270 37.528 38.000 -0.337 0.000 1.072 191 I HN 0.271 nan 8.210 nan 0.000 0.417 192 F N 0.948 120.954 119.950 0.093 0.000 2.186 192 F HA -0.103 4.423 4.527 -0.001 0.000 0.299 192 F C 2.610 178.489 175.800 0.131 0.000 1.090 192 F CA 0.900 59.002 58.000 0.170 0.000 1.307 192 F CB -1.244 37.842 39.000 0.142 0.000 1.019 192 F HN -0.011 nan 8.300 nan 0.000 0.489 193 A N -0.072 122.908 122.820 0.267 0.000 1.917 193 A HA -0.160 4.160 4.320 -0.001 0.000 0.219 193 A C 2.379 180.132 177.584 0.282 0.000 1.182 193 A CA 2.159 54.336 52.037 0.234 0.000 0.633 193 A CB -1.218 17.881 19.000 0.165 0.000 0.819 193 A HN 0.194 nan 8.150 nan 0.000 0.448 194 V N -0.844 119.078 119.914 0.013 0.000 2.591 194 V HA -0.159 3.961 4.120 -0.001 0.000 0.249 194 V C 2.369 178.355 176.094 -0.179 0.000 1.053 194 V CA 1.666 63.762 62.300 -0.339 0.000 1.068 194 V CB -0.994 30.409 31.823 -0.700 0.000 0.689 194 V HN 0.622 nan 8.190 nan 0.000 0.462 195 H N 0.145 119.215 119.070 -0.000 0.000 2.353 195 H HA -0.048 4.508 4.556 -0.001 0.000 0.300 195 H C 2.261 177.645 175.328 0.094 0.000 1.090 195 H CA 1.682 57.764 56.048 0.057 0.000 1.327 195 H CB -0.143 29.715 29.762 0.159 0.000 1.383 195 H HN 0.326 nan 8.280 nan 0.000 0.508 196 L N -0.559 120.831 121.223 0.280 0.000 2.109 196 L HA -0.123 4.216 4.340 -0.001 0.000 0.207 196 L C 2.771 179.804 176.870 0.272 0.000 1.086 196 L CA 1.034 56.021 54.840 0.246 0.000 0.760 196 L CB -0.424 41.774 42.059 0.232 0.000 0.910 196 L HN 0.161 nan 8.230 nan 0.000 0.437 197 S N 0.349 116.226 115.700 0.295 0.000 2.356 197 S HA -0.153 4.316 4.470 -0.001 0.000 0.223 197 S C 2.027 176.741 174.600 0.189 0.000 1.032 197 S CA 1.578 59.943 58.200 0.274 0.000 1.005 197 S CB -0.452 62.766 63.200 0.030 0.000 0.867 197 S HN 0.509 nan 8.310 nan 0.000 0.449 198 G N 0.370 109.246 108.800 0.126 0.000 2.422 198 G HA2 0.058 4.017 3.960 -0.001 0.000 0.218 198 G HA3 0.058 4.017 3.960 -0.001 0.000 0.218 198 G C 1.623 176.598 174.900 0.124 0.000 1.140 198 G CA 0.885 46.050 45.100 0.110 0.000 0.775 198 G HN 0.686 nan 8.290 nan 0.000 0.545 199 A N 0.782 123.690 122.820 0.146 0.000 1.873 199 A HA 0.020 4.340 4.320 -0.001 0.000 0.215 199 A C 2.628 180.307 177.584 0.159 0.000 1.186 199 A CA 2.166 54.284 52.037 0.136 0.000 0.616 199 A CB -0.863 18.216 19.000 0.132 0.000 0.823 199 A HN 0.462 nan 8.150 nan 0.000 0.442 200 S N -0.340 115.485 115.700 0.208 0.000 2.400 200 S HA -0.137 4.332 4.470 -0.001 0.000 0.232 200 S C 2.107 176.846 174.600 0.231 0.000 1.025 200 S CA 2.107 60.463 58.200 0.260 0.000 0.993 200 S CB -0.371 63.041 63.200 0.354 0.000 0.808 200 S HN 0.521 nan 8.310 nan 0.000 0.478 201 S N 0.660 116.464 115.700 0.173 0.000 2.406 201 S HA 0.212 4.682 4.470 -0.001 0.000 0.224 201 S C 1.703 176.367 174.600 0.107 0.000 1.030 201 S CA 0.845 59.114 58.200 0.116 0.000 0.958 201 S CB -0.291 62.931 63.200 0.036 0.000 0.811 201 S HN 0.520 nan 8.310 nan 0.000 0.489 202 I N 1.547 122.175 120.570 0.096 0.000 2.202 202 I HA -0.163 4.006 4.170 -0.001 0.000 0.242 202 I C 1.999 178.163 176.117 0.078 0.000 1.091 202 I CA 1.073 62.413 61.300 0.068 0.000 1.368 202 I CB -0.297 37.737 38.000 0.057 0.000 1.058 202 I HN 0.229 nan 8.210 nan 0.000 0.410 203 L N 0.189 121.473 121.223 0.102 0.000 2.017 203 L HA -0.151 4.188 4.340 -0.001 0.000 0.208 203 L C 2.713 179.666 176.870 0.137 0.000 1.073 203 L CA 1.642 56.543 54.840 0.101 0.000 0.745 203 L CB -1.393 40.736 42.059 0.117 0.000 0.894 203 L HN 0.334 nan 8.230 nan 0.000 0.432 204 G N -0.174 108.740 108.800 0.190 0.000 2.469 204 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.219 204 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.219 204 G C 1.750 176.785 174.900 0.226 0.000 1.150 204 G CA 0.991 46.218 45.100 0.211 0.000 0.763 204 G HN 0.490 nan 8.290 nan 0.000 0.561 205 A N 0.711 123.696 122.820 0.275 0.000 1.930 205 A HA 0.089 4.408 4.320 -0.001 0.000 0.217 205 A C 2.368 179.966 177.584 0.024 0.000 1.175 205 A CA 1.219 53.370 52.037 0.190 0.000 0.627 205 A CB -0.239 18.791 19.000 0.050 0.000 0.815 205 A HN 0.295 nan 8.150 nan 0.000 0.443 206 I N 0.444 121.030 120.570 0.027 0.000 2.127 206 I HA -0.248 3.921 4.170 -0.001 0.000 0.241 206 I C 2.239 178.428 176.117 0.121 0.000 1.075 206 I CA 1.640 62.953 61.300 0.022 0.000 1.334 206 I CB -1.586 36.420 38.000 0.010 0.000 1.040 206 I HN 0.318 nan 8.210 nan 0.000 0.405 207 N N 0.789 119.587 118.700 0.163 0.000 2.036 207 N HA -0.189 4.550 4.740 -0.001 0.000 0.195 207 N C 1.826 177.386 175.510 0.084 0.000 1.037 207 N CA 1.496 54.654 53.050 0.180 0.000 0.855 207 N CB -0.246 38.325 38.487 0.139 0.000 1.033 207 N HN 0.164 nan 8.380 nan 0.000 0.423 208 M N 0.281 119.903 119.600 0.036 0.000 2.073 208 M HA -0.131 4.348 4.480 -0.001 0.000 0.258 208 M C 2.276 178.657 176.300 0.134 0.000 1.070 208 M CA 1.208 56.527 55.300 0.030 0.000 1.103 208 M CB -1.204 31.391 32.600 -0.009 0.000 1.321 208 M HN 0.143 nan 8.290 nan 0.000 0.405 209 I N -0.113 120.502 120.570 0.074 0.000 2.179 209 I HA -0.271 3.898 4.170 -0.001 0.000 0.242 209 I C 2.368 178.620 176.117 0.226 0.000 1.088 209 I CA 1.476 62.858 61.300 0.137 0.000 1.357 209 I CB -0.707 37.129 38.000 -0.273 0.000 1.051 209 I HN 0.328 nan 8.210 nan 0.000 0.409 210 T N -0.353 114.287 114.554 0.144 0.000 2.737 210 T HA -0.150 4.199 4.350 -0.001 0.000 0.265 210 T C 1.907 176.634 174.700 0.045 0.000 1.038 210 T CA 1.980 64.153 62.100 0.120 0.000 1.144 210 T CB -0.545 68.421 68.868 0.163 0.000 0.866 210 T HN 0.333 nan 8.240 nan 0.000 0.434 211 T N 1.737 116.299 114.554 0.014 0.000 2.803 211 T HA -0.057 4.292 4.350 -0.001 0.000 0.269 211 T C 1.531 176.223 174.700 -0.014 0.000 1.052 211 T CA 0.955 63.029 62.100 -0.044 0.000 1.136 211 T CB -0.507 68.320 68.868 -0.068 0.000 0.864 211 T HN 0.347 nan 8.240 nan 0.000 0.467 212 F N 1.110 121.007 119.950 -0.089 0.000 2.163 212 F HA 0.103 4.629 4.527 -0.001 0.000 0.297 212 F C 1.789 177.459 175.800 -0.217 0.000 1.094 212 F CA 1.067 58.953 58.000 -0.190 0.000 1.290 212 F CB -0.136 38.715 39.000 -0.249 0.000 1.017 212 F HN 0.040 nan 8.300 nan 0.000 0.483 213 L N -0.447 120.822 121.223 0.077 0.000 2.307 213 L HA -0.030 4.309 4.340 -0.001 0.000 0.211 213 L C 1.346 178.189 176.870 -0.045 0.000 1.099 213 L CA 0.572 55.427 54.840 0.025 0.000 0.816 213 L CB -0.397 41.772 42.059 0.184 0.000 0.952 213 L HN 0.074 nan 8.230 nan 0.000 0.455 214 N N -0.965 117.706 118.700 -0.048 0.000 2.273 214 N HA 0.180 4.919 4.740 -0.001 0.000 0.192 214 N C 0.959 176.413 175.510 -0.095 0.000 1.132 214 N CA 0.567 53.582 53.050 -0.058 0.000 0.887 214 N CB 0.671 39.132 38.487 -0.044 0.000 1.048 214 N HN 0.246 nan 8.380 nan 0.000 0.490 215 M N -0.003 119.522 119.600 -0.126 0.000 2.603 215 M HA 0.264 4.743 4.480 -0.001 0.000 0.380 215 M C -0.428 175.783 176.300 -0.150 0.000 1.158 215 M CA -0.223 54.999 55.300 -0.130 0.000 0.921 215 M CB 1.147 33.665 32.600 -0.136 0.000 1.417 215 M HN -0.252 nan 8.290 nan 0.000 0.523 216 R N 1.723 122.112 120.500 -0.185 0.000 2.347 216 R HA 0.488 4.828 4.340 -0.001 0.000 0.304 216 R C 0.407 176.631 176.300 -0.127 0.000 1.072 216 R CA -0.230 55.752 56.100 -0.197 0.000 0.980 216 R CB 0.798 30.927 30.300 -0.284 0.000 0.986 216 R HN 0.307 nan 8.270 nan 0.000 0.448 217 A N 5.932 128.695 122.820 -0.096 0.000 2.586 217 A HA 0.085 4.405 4.320 -0.001 0.000 0.231 217 A C -1.927 175.623 177.584 -0.057 0.000 1.055 217 A CA -0.819 51.181 52.037 -0.063 0.000 0.756 217 A CB -0.334 18.640 19.000 -0.042 0.000 0.988 217 A HN 0.456 nan 8.150 nan 0.000 0.509 218 P HA 0.310 nan 4.420 nan 0.000 0.264 218 P C 1.076 178.361 177.300 -0.026 0.000 1.193 218 P CA 1.582 64.662 63.100 -0.033 0.000 0.763 218 P CB 0.719 32.404 31.700 -0.025 0.000 0.810 219 G N 2.868 111.653 108.800 -0.024 0.000 2.279 219 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.223 219 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.223 219 G C 0.353 175.242 174.900 -0.018 0.000 1.015 219 G CA 0.032 45.123 45.100 -0.016 0.000 0.621 219 G HN 0.553 nan 8.290 nan 0.000 0.506 220 M N 3.426 123.008 119.600 -0.030 0.000 3.268 220 M HA 0.530 5.009 4.480 -0.001 0.000 0.249 220 M C 0.881 177.150 176.300 -0.052 0.000 1.527 220 M CA 0.237 55.514 55.300 -0.039 0.000 1.645 220 M CB -0.750 31.813 32.600 -0.063 0.000 1.193 220 M HN 0.240 nan 8.290 nan 0.000 0.534 221 T N 2.952 117.497 114.554 -0.015 0.000 2.860 221 T HA 0.385 4.734 4.350 -0.001 0.000 0.299 221 T C 1.671 176.395 174.700 0.039 0.000 1.045 221 T CA 0.436 62.539 62.100 0.005 0.000 1.071 221 T CB 0.927 69.810 68.868 0.026 0.000 0.985 221 T HN 0.724 nan 8.240 nan 0.000 0.537 222 M N 2.380 122.021 119.600 0.067 0.000 2.108 222 M HA 0.013 4.492 4.480 -0.001 0.000 0.261 222 M C 2.229 178.786 176.300 0.429 0.000 1.066 222 M CA 2.990 58.396 55.300 0.175 0.000 1.107 222 M CB -2.388 30.338 32.600 0.211 0.000 1.356 222 M HN 1.070 nan 8.290 nan 0.000 0.406 223 H N -0.427 118.839 119.070 0.326 0.000 2.566 223 H HA 0.618 5.173 4.556 -0.001 0.000 0.280 223 H C 1.846 177.298 175.328 0.207 0.000 1.042 223 H CA 1.618 57.883 56.048 0.362 0.000 1.168 223 H CB -0.924 28.972 29.762 0.224 0.000 1.340 223 H HN 0.984 nan 8.280 nan 0.000 0.597 224 K N -0.111 120.410 120.400 0.202 0.000 2.477 224 K HA 0.529 4.848 4.320 -0.001 0.000 0.208 224 K C 0.485 177.192 176.600 0.178 0.000 1.117 224 K CA 0.561 56.884 56.287 0.061 0.000 1.039 224 K CB -0.342 32.167 32.500 0.015 0.000 0.937 224 K HN 0.354 nan 8.250 nan 0.000 0.570 225 V N 3.598 123.725 119.914 0.356 0.000 2.585 225 V HA 0.175 4.294 4.120 -0.001 0.000 0.296 225 V C -2.341 174.126 176.094 0.621 0.000 1.035 225 V CA -1.593 60.920 62.300 0.356 0.000 1.084 225 V CB 1.103 33.010 31.823 0.141 0.000 0.953 225 V HN 0.300 nan 8.190 nan 0.000 0.483 226 P HA 0.150 nan 4.420 nan 0.000 0.269 226 P C 0.943 178.714 177.300 0.785 0.000 1.215 226 P CA -0.164 63.266 63.100 0.550 0.000 0.780 226 P CB 0.593 32.507 31.700 0.357 0.000 0.898 227 L N 0.777 122.470 121.223 0.784 0.000 2.131 227 L HA -0.165 4.174 4.340 -0.001 0.000 0.210 227 L C 2.154 179.442 176.870 0.696 0.000 1.092 227 L CA 1.317 56.561 54.840 0.674 0.000 0.759 227 L CB -0.583 41.767 42.059 0.484 0.000 0.903 227 L HN 0.361 nan 8.230 nan 0.000 0.435 228 F N 0.975 121.267 119.950 0.571 0.000 2.102 228 F HA -0.254 4.273 4.527 -0.001 0.000 0.298 228 F C 2.469 178.545 175.800 0.460 0.000 1.105 228 F CA 1.292 59.502 58.000 0.350 0.000 1.239 228 F CB -0.432 38.624 39.000 0.094 0.000 0.991 228 F HN 0.009 nan 8.300 nan 0.000 0.474 229 A N -0.339 122.804 122.820 0.539 0.000 1.917 229 A HA -0.271 4.049 4.320 -0.001 0.000 0.219 229 A C 2.195 179.948 177.584 0.282 0.000 1.182 229 A CA 1.924 54.181 52.037 0.366 0.000 0.633 229 A CB -1.819 17.479 19.000 0.495 0.000 0.819 229 A HN 0.674 nan 8.150 nan 0.000 0.448 230 W N 0.778 122.278 121.300 0.333 0.000 2.335 230 W HA -0.233 4.427 4.660 -0.001 0.000 0.311 230 W C 3.127 179.740 176.519 0.158 0.000 1.213 230 W CA 2.437 59.921 57.345 0.232 0.000 1.274 230 W CB -0.321 29.283 29.460 0.241 0.000 1.148 230 W HN 0.508 nan 8.180 nan 0.000 0.498 231 S N -0.016 115.918 115.700 0.390 0.000 2.370 231 S HA -0.226 4.243 4.470 -0.001 0.000 0.226 231 S C 1.745 176.411 174.600 0.110 0.000 1.033 231 S CA 1.541 59.884 58.200 0.238 0.000 1.011 231 S CB -0.757 62.584 63.200 0.236 0.000 0.852 231 S HN 0.110 nan 8.310 nan 0.000 0.457 232 I N 0.785 121.326 120.570 -0.049 0.000 2.315 232 I HA -0.013 4.156 4.170 -0.001 0.000 0.248 232 I C 2.233 178.427 176.117 0.129 0.000 1.117 232 I CA 0.957 62.243 61.300 -0.023 0.000 1.404 232 I CB -1.431 36.394 38.000 -0.292 0.000 1.071 232 I HN 0.341 nan 8.210 nan 0.000 0.419 233 F N 1.702 121.574 119.950 -0.130 0.000 2.113 233 F HA -0.158 4.369 4.527 -0.001 0.000 0.297 233 F C 2.419 178.249 175.800 0.050 0.000 1.103 233 F CA 1.438 59.278 58.000 -0.266 0.000 1.248 233 F CB -0.516 37.880 39.000 -1.007 0.000 0.999 233 F HN -0.172 nan 8.300 nan 0.000 0.475 234 V N 0.098 120.061 119.914 0.083 0.000 2.255 234 V HA -0.342 3.777 4.120 -0.001 0.000 0.247 234 V C 2.356 178.499 176.094 0.082 0.000 1.051 234 V CA 2.437 64.794 62.300 0.096 0.000 1.018 234 V CB -1.450 30.489 31.823 0.193 0.000 0.641 234 V HN 0.427 nan 8.190 nan 0.000 0.445 235 T N 0.757 115.357 114.554 0.077 0.000 2.620 235 T HA -0.315 4.034 4.350 -0.001 0.000 0.267 235 T C 2.044 176.701 174.700 -0.073 0.000 1.044 235 T CA 2.112 64.213 62.100 0.003 0.000 1.161 235 T CB -0.609 68.272 68.868 0.022 0.000 0.862 235 T HN 0.616 nan 8.240 nan 0.000 0.438 236 A N 0.049 122.870 122.820 0.002 0.000 1.978 236 A HA -0.117 4.203 4.320 -0.001 0.000 0.220 236 A C 2.072 179.525 177.584 -0.218 0.000 1.170 236 A CA 1.515 53.509 52.037 -0.072 0.000 0.636 236 A CB -1.088 17.903 19.000 -0.014 0.000 0.810 236 A HN 0.710 nan 8.150 nan 0.000 0.448 237 W N 0.047 121.249 121.300 -0.163 0.000 2.379 237 W HA -0.041 4.618 4.660 -0.001 0.000 0.307 237 W C 2.119 178.644 176.519 0.010 0.000 1.200 237 W CA 1.007 58.276 57.345 -0.126 0.000 1.297 237 W CB -0.385 28.945 29.460 -0.216 0.000 1.140 237 W HN 0.215 nan 8.180 nan 0.000 0.507 238 L N -0.129 121.260 121.223 0.277 0.000 2.012 238 L HA -0.282 4.057 4.340 -0.001 0.000 0.210 238 L C 2.197 179.226 176.870 0.266 0.000 1.073 238 L CA 1.435 56.481 54.840 0.343 0.000 0.748 238 L CB -1.224 40.926 42.059 0.152 0.000 0.891 238 L HN 0.011 nan 8.230 nan 0.000 0.431 239 I N -0.417 120.192 120.570 0.065 0.000 2.194 239 I HA -0.338 3.831 4.170 -0.001 0.000 0.246 239 I C 2.549 178.720 176.117 0.089 0.000 1.093 239 I CA 1.285 62.598 61.300 0.020 0.000 1.355 239 I CB -0.258 37.648 38.000 -0.157 0.000 1.046 239 I HN 0.220 nan 8.210 nan 0.000 0.413 240 L N -0.136 121.127 121.223 0.067 0.000 2.083 240 L HA -0.191 4.148 4.340 -0.001 0.000 0.209 240 L C 2.165 179.109 176.870 0.123 0.000 1.083 240 L CA 1.633 56.506 54.840 0.056 0.000 0.752 240 L CB -0.459 41.584 42.059 -0.027 0.000 0.899 240 L HN 0.206 nan 8.230 nan 0.000 0.433 241 L N -1.497 119.838 121.223 0.187 0.000 2.202 241 L HA 0.154 4.493 4.340 -0.001 0.000 0.205 241 L C 2.365 179.428 176.870 0.322 0.000 1.083 241 L CA 1.657 56.598 54.840 0.169 0.000 0.790 241 L CB -0.770 41.245 42.059 -0.074 0.000 0.942 241 L HN 0.140 nan 8.230 nan 0.000 0.452 242 A N -0.319 122.774 122.820 0.454 0.000 1.841 242 A HA -0.096 4.223 4.320 -0.001 0.000 0.214 242 A C 2.087 179.905 177.584 0.390 0.000 1.195 242 A CA 1.653 53.988 52.037 0.497 0.000 0.611 242 A CB -0.859 18.378 19.000 0.394 0.000 0.835 242 A HN 0.362 nan 8.150 nan 0.000 0.443 243 L N -0.297 121.093 121.223 0.279 0.000 2.083 243 L HA -0.090 4.249 4.340 -0.001 0.000 0.209 243 L C -0.377 176.531 176.870 0.062 0.000 1.083 243 L CA 2.047 56.972 54.840 0.143 0.000 0.752 243 L CB -2.433 39.696 42.059 0.117 0.000 0.899 243 L HN 0.225 nan 8.230 nan 0.000 0.433 244 P HA -0.104 nan 4.420 nan 0.000 0.216 244 P C 2.138 179.459 177.300 0.035 0.000 1.150 244 P CA 0.932 64.066 63.100 0.056 0.000 0.837 244 P CB 0.108 31.843 31.700 0.057 0.000 0.786 245 V N -0.415 119.542 119.914 0.071 0.000 2.343 245 V HA -0.216 3.903 4.120 -0.001 0.000 0.247 245 V C 2.377 178.452 176.094 -0.031 0.000 1.051 245 V CA 1.549 63.871 62.300 0.037 0.000 1.036 245 V CB -1.297 30.613 31.823 0.146 0.000 0.654 245 V HN 0.064 nan 8.190 nan 0.000 0.451 246 L N 1.176 122.352 121.223 -0.078 0.000 2.042 246 L HA -0.112 4.227 4.340 -0.001 0.000 0.210 246 L C 2.475 179.208 176.870 -0.228 0.000 1.076 246 L CA 2.369 57.027 54.840 -0.303 0.000 0.749 246 L CB -0.989 40.575 42.059 -0.824 0.000 0.893 246 L HN 0.217 nan 8.230 nan 0.000 0.432 247 A N -0.438 122.309 122.820 -0.122 0.000 1.940 247 A HA -0.117 4.202 4.320 -0.001 0.000 0.219 247 A C 2.329 179.950 177.584 0.061 0.000 1.176 247 A CA 1.723 53.773 52.037 0.022 0.000 0.631 247 A CB -1.653 17.428 19.000 0.136 0.000 0.814 247 A HN 0.562 nan 8.150 nan 0.000 0.446 248 G N -0.419 108.377 108.800 -0.006 0.000 2.552 248 G HA2 -0.066 3.893 3.960 -0.001 0.000 0.216 248 G HA3 -0.066 3.893 3.960 -0.001 0.000 0.216 248 G C 1.854 176.733 174.900 -0.036 0.000 1.240 248 G CA 1.972 47.051 45.100 -0.036 0.000 0.796 248 G HN 0.943 nan 8.290 nan 0.000 0.568 249 A N 1.338 124.124 122.820 -0.057 0.000 1.896 249 A HA -0.209 4.111 4.320 -0.001 0.000 0.220 249 A C 2.474 180.141 177.584 0.138 0.000 1.206 249 A CA 2.396 54.438 52.037 0.007 0.000 0.647 249 A CB -0.680 18.195 19.000 -0.209 0.000 0.828 249 A HN 0.924 nan 8.150 nan 0.000 0.455 250 I N -3.876 116.694 120.570 -0.000 0.000 2.928 250 I HA -0.041 4.128 4.170 -0.001 0.000 0.266 250 I C 1.908 178.036 176.117 0.019 0.000 1.234 250 I CA 1.689 62.966 61.300 -0.038 0.000 1.483 250 I CB -0.688 37.144 38.000 -0.280 0.000 1.097 250 I HN 0.106 nan 8.210 nan 0.000 0.455 251 T N 1.182 115.787 114.554 0.085 0.000 2.894 251 T HA 0.084 4.434 4.350 -0.001 0.000 0.258 251 T C 1.909 176.670 174.700 0.100 0.000 1.043 251 T CA 1.277 63.463 62.100 0.143 0.000 1.141 251 T CB -0.141 68.812 68.868 0.141 0.000 0.873 251 T HN 0.268 nan 8.240 nan 0.000 0.449 252 M N 0.726 120.344 119.600 0.030 0.000 2.144 252 M HA -0.060 4.420 4.480 -0.001 0.000 0.260 252 M C 2.010 178.420 176.300 0.185 0.000 1.067 252 M CA 1.529 56.806 55.300 -0.039 0.000 1.095 252 M CB -0.531 31.906 32.600 -0.271 0.000 1.365 252 M HN 0.214 nan 8.290 nan 0.000 0.406 253 L N -0.799 120.583 121.223 0.265 0.000 2.093 253 L HA -0.199 4.140 4.340 -0.001 0.000 0.208 253 L C 2.362 179.302 176.870 0.115 0.000 1.085 253 L CA 0.628 55.584 54.840 0.195 0.000 0.755 253 L CB -0.551 41.544 42.059 0.059 0.000 0.904 253 L HN 0.288 nan 8.230 nan 0.000 0.435 254 L N -0.245 121.041 121.223 0.104 0.000 2.141 254 L HA -0.146 4.194 4.340 -0.001 0.000 0.209 254 L C 2.667 179.670 176.870 0.222 0.000 1.094 254 L CA 2.127 57.029 54.840 0.103 0.000 0.763 254 L CB -0.489 41.627 42.059 0.094 0.000 0.908 254 L HN 0.402 nan 8.230 nan 0.000 0.437 255 T N -5.577 109.144 114.554 0.279 0.000 2.978 255 T HA -0.067 4.283 4.350 -0.001 0.000 0.262 255 T C 1.568 176.404 174.700 0.227 0.000 1.063 255 T CA 0.902 63.227 62.100 0.375 0.000 1.140 255 T CB -0.414 68.659 68.868 0.342 0.000 0.886 255 T HN 0.165 nan 8.240 nan 0.000 0.470 256 D N 1.296 121.800 120.400 0.174 0.000 2.264 256 D HA 0.050 4.689 4.640 -0.001 0.000 0.208 256 D C 2.412 178.749 176.300 0.061 0.000 0.966 256 D CA 0.708 54.770 54.000 0.104 0.000 0.864 256 D CB -0.027 40.846 40.800 0.122 0.000 0.933 256 D HN 0.478 nan 8.370 nan 0.000 0.499 257 R N -0.375 120.155 120.500 0.051 0.000 2.090 257 R HA 0.169 4.508 4.340 -0.001 0.000 0.219 257 R C 1.381 177.643 176.300 -0.063 0.000 1.100 257 R CA 0.705 56.805 56.100 -0.000 0.000 0.991 257 R CB 0.096 30.392 30.300 -0.007 0.000 0.893 257 R HN 0.131 nan 8.270 nan 0.000 0.443 258 N N -0.558 118.064 118.700 -0.129 0.000 2.460 258 N HA 0.067 4.806 4.740 -0.001 0.000 0.193 258 N C 0.290 175.467 175.510 -0.555 0.000 1.080 258 N CA 0.613 53.418 53.050 -0.408 0.000 0.869 258 N CB 0.572 38.661 38.487 -0.664 0.000 1.201 258 N HN 0.061 nan 8.380 nan 0.000 0.457 259 F N 0.629 120.600 119.950 0.035 0.000 2.772 259 F HA 0.395 4.921 4.527 -0.001 0.000 0.302 259 F C 1.399 177.202 175.800 0.005 0.000 1.136 259 F CA -0.532 57.484 58.000 0.026 0.000 1.322 259 F CB 0.275 39.299 39.000 0.041 0.000 0.967 259 F HN -0.032 nan 8.300 nan 0.000 0.513 260 G N 1.281 110.129 108.800 0.080 0.000 2.233 260 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.270 260 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.270 260 G C 0.518 175.417 174.900 -0.002 0.000 1.011 260 G CA 0.694 45.812 45.100 0.030 0.000 0.762 260 G HN 0.511 nan 8.290 nan 0.000 0.511 261 T N -3.776 110.782 114.554 0.007 0.000 2.754 261 T HA 0.602 4.951 4.350 -0.001 0.000 0.286 261 T C 0.767 175.369 174.700 -0.163 0.000 0.997 261 T CA 0.654 62.672 62.100 -0.135 0.000 0.982 261 T CB 2.141 70.919 68.868 -0.150 0.000 1.027 261 T HN 0.566 nan 8.240 nan 0.000 0.529 262 T N -0.086 114.264 114.554 -0.340 0.000 3.604 262 T HA 0.299 4.649 4.350 -0.001 0.000 0.305 262 T C 0.372 174.911 174.700 -0.268 0.000 0.978 262 T CA -0.564 61.400 62.100 -0.227 0.000 0.999 262 T CB -0.776 67.985 68.868 -0.177 0.000 1.204 262 T HN 0.481 nan 8.240 nan 0.000 0.476 263 F N 0.607 120.371 119.950 -0.310 0.000 2.134 263 F HA 0.158 4.684 4.527 -0.001 0.000 0.299 263 F C 1.115 176.619 175.800 -0.493 0.000 1.097 263 F CA 1.218 58.879 58.000 -0.564 0.000 1.264 263 F CB -0.090 38.268 39.000 -1.070 0.000 1.001 263 F HN 0.377 nan 8.300 nan 0.000 0.479 264 F N -1.131 118.942 119.950 0.204 0.000 2.683 264 F HA 0.274 4.801 4.527 -0.001 0.000 0.306 264 F C 0.041 175.879 175.800 0.062 0.000 1.102 264 F CA -0.651 57.419 58.000 0.117 0.000 1.244 264 F CB -0.519 38.526 39.000 0.076 0.000 1.029 264 F HN -0.235 nan 8.300 nan 0.000 0.545 265 Q N 1.429 121.316 119.800 0.145 0.000 2.347 265 Q HA 0.315 4.654 4.340 -0.001 0.000 0.262 265 Q C -2.130 173.907 176.000 0.060 0.000 0.980 265 Q CA -2.181 53.675 55.803 0.088 0.000 0.867 265 Q CB 1.586 30.352 28.738 0.046 0.000 1.242 265 Q HN 0.046 nan 8.270 nan 0.000 0.453 266 P HA -0.165 nan 4.420 nan 0.000 0.220 266 P C 1.347 178.665 177.300 0.030 0.000 1.148 266 P CA 1.290 64.421 63.100 0.052 0.000 0.803 266 P CB 0.307 32.041 31.700 0.056 0.000 0.782 267 S N -0.910 114.804 115.700 0.023 0.000 2.399 267 S HA -0.068 4.401 4.470 -0.001 0.000 0.231 267 S C 1.974 176.573 174.600 -0.002 0.000 1.022 267 S CA 1.398 59.605 58.200 0.012 0.000 0.983 267 S CB -1.668 61.538 63.200 0.011 0.000 0.803 267 S HN 0.235 nan 8.310 nan 0.000 0.480 268 G N -0.639 108.154 108.800 -0.012 0.000 3.434 268 G HA2 0.492 4.452 3.960 -0.001 0.000 0.258 268 G HA3 0.492 4.452 3.960 -0.001 0.000 0.258 268 G C 0.873 175.750 174.900 -0.038 0.000 1.128 268 G CA -0.075 45.005 45.100 -0.035 0.000 0.792 268 G HN 1.344 nan 8.290 nan 0.000 0.539 269 G N -1.140 107.654 108.800 -0.011 0.000 2.157 269 G HA2 -0.021 3.938 3.960 -0.001 0.000 0.239 269 G HA3 -0.021 3.938 3.960 -0.001 0.000 0.239 269 G C 0.774 175.685 174.900 0.018 0.000 0.982 269 G CA 0.140 45.240 45.100 -0.000 0.000 0.650 269 G HN 1.010 nan 8.290 nan 0.000 0.527 270 G N -0.760 108.055 108.800 0.026 0.000 2.616 270 G HA2 0.494 4.453 3.960 -0.001 0.000 0.268 270 G HA3 0.494 4.453 3.960 -0.001 0.000 0.268 270 G C -0.834 174.149 174.900 0.138 0.000 1.213 270 G CA 0.488 45.635 45.100 0.078 0.000 0.926 270 G HN 0.345 nan 8.290 nan 0.000 0.523 271 D N -0.585 119.950 120.400 0.225 0.000 2.620 271 D HA 0.393 5.033 4.640 -0.001 0.000 0.252 271 D C -1.867 174.616 176.300 0.305 0.000 1.207 271 D CA -2.014 52.119 54.000 0.222 0.000 0.884 271 D CB 2.383 43.299 40.800 0.194 0.000 1.262 271 D HN -0.031 nan 8.370 nan 0.000 0.552 272 P HA -0.052 nan 4.420 nan 0.000 0.223 272 P C 1.461 178.744 177.300 -0.028 0.000 1.151 272 P CA 0.259 63.408 63.100 0.082 0.000 0.787 272 P CB 0.497 32.216 31.700 0.032 0.000 0.788 273 V N -0.217 119.719 119.914 0.036 0.000 2.515 273 V HA -0.204 3.915 4.120 -0.001 0.000 0.250 273 V C 2.346 178.484 176.094 0.073 0.000 1.058 273 V CA 1.264 63.565 62.300 0.001 0.000 1.064 273 V CB -1.167 30.687 31.823 0.053 0.000 0.675 273 V HN 0.070 nan 8.190 nan 0.000 0.461 274 L N -0.112 121.230 121.223 0.199 0.000 2.013 274 L HA -0.249 4.091 4.340 -0.001 0.000 0.212 274 L C 2.338 179.287 176.870 0.133 0.000 1.073 274 L CA 2.369 57.377 54.840 0.280 0.000 0.753 274 L CB -0.861 41.432 42.059 0.389 0.000 0.890 274 L HN 0.481 nan 8.230 nan 0.000 0.432 275 Y N 0.080 120.195 120.300 -0.308 0.000 2.165 275 Y HA -0.326 4.223 4.550 -0.001 0.000 0.286 275 Y C 2.546 178.189 175.900 -0.429 0.000 1.155 275 Y CA 2.225 59.890 58.100 -0.725 0.000 1.164 275 Y CB -0.296 37.226 38.460 -1.564 0.000 0.978 275 Y HN 0.394 nan 8.280 nan 0.000 0.513 276 Q N -1.010 118.576 119.800 -0.357 0.000 2.096 276 Q HA -0.248 4.091 4.340 -0.001 0.000 0.204 276 Q C 2.134 178.058 176.000 -0.126 0.000 0.982 276 Q CA 1.650 57.246 55.803 -0.345 0.000 0.850 276 Q CB -0.344 28.204 28.738 -0.316 0.000 0.901 276 Q HN 0.637 nan 8.270 nan 0.000 0.422 277 H N 0.169 119.247 119.070 0.012 0.000 2.321 277 H HA -0.100 4.455 4.556 -0.001 0.000 0.300 277 H C 2.177 177.429 175.328 -0.127 0.000 1.087 277 H CA 1.368 57.494 56.048 0.130 0.000 1.319 277 H CB -0.117 29.762 29.762 0.195 0.000 1.379 277 H HN 0.256 nan 8.280 nan 0.000 0.501 278 I N 0.348 120.861 120.570 -0.096 0.000 2.202 278 I HA -0.252 3.917 4.170 -0.001 0.000 0.242 278 I C 2.744 178.711 176.117 -0.251 0.000 1.091 278 I CA 0.807 61.985 61.300 -0.203 0.000 1.368 278 I CB -0.234 37.643 38.000 -0.204 0.000 1.058 278 I HN 0.082 nan 8.210 nan 0.000 0.410 279 L N 0.018 120.917 121.223 -0.540 0.000 2.046 279 L HA -0.175 4.165 4.340 -0.001 0.000 0.208 279 L C 2.120 178.772 176.870 -0.364 0.000 1.077 279 L CA 1.825 56.309 54.840 -0.593 0.000 0.747 279 L CB -0.424 40.974 42.059 -1.101 0.000 0.896 279 L HN 0.203 nan 8.230 nan 0.000 0.432 280 W N -1.658 119.565 121.300 -0.128 0.000 2.699 280 W HA -0.083 4.576 4.660 -0.001 0.000 0.249 280 W C 2.106 178.611 176.519 -0.023 0.000 1.280 280 W CA 0.127 57.443 57.345 -0.048 0.000 1.345 280 W CB -0.157 29.349 29.460 0.075 0.000 1.128 280 W HN 0.165 nan 8.180 nan 0.000 0.642 281 F N -0.203 119.660 119.950 -0.145 0.000 2.186 281 F HA -0.190 4.336 4.527 -0.001 0.000 0.299 281 F C 2.219 178.028 175.800 0.015 0.000 1.090 281 F CA 1.581 59.429 58.000 -0.254 0.000 1.307 281 F CB -0.491 38.225 39.000 -0.472 0.000 1.019 281 F HN -0.033 nan 8.300 nan 0.000 0.489 282 F N 0.124 120.102 119.950 0.046 0.000 2.270 282 F HA 0.179 4.706 4.527 -0.001 0.000 0.295 282 F C 2.212 177.982 175.800 -0.050 0.000 1.087 282 F CA 1.383 59.383 58.000 0.000 0.000 1.365 282 F CB -1.169 37.813 39.000 -0.030 0.000 1.056 282 F HN -0.107 nan 8.300 nan 0.000 0.506 283 G N -0.504 108.047 108.800 -0.415 0.000 2.440 283 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.218 283 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.218 283 G C 1.498 176.281 174.900 -0.194 0.000 1.154 283 G CA 1.311 46.079 45.100 -0.554 0.000 0.767 283 G HN 0.582 nan 8.290 nan 0.000 0.552 284 H N 1.497 120.578 119.070 0.017 0.000 2.276 284 H HA -0.005 4.551 4.556 -0.001 0.000 0.301 284 H C 0.230 175.495 175.328 -0.105 0.000 1.073 284 H CA 1.553 57.640 56.048 0.065 0.000 1.311 284 H CB -0.424 29.459 29.762 0.200 0.000 1.379 284 H HN 0.232 nan 8.280 nan 0.000 0.494 285 P HA -0.258 nan 4.420 nan 0.000 0.220 285 P C 1.206 178.363 177.300 -0.238 0.000 1.155 285 P CA 2.298 65.247 63.100 -0.251 0.000 0.880 285 P CB -0.104 31.208 31.700 -0.648 0.000 0.790 286 E N 0.069 119.978 120.200 -0.485 0.000 2.114 286 E HA -0.211 4.138 4.350 -0.001 0.000 0.199 286 E C 1.681 178.031 176.600 -0.416 0.000 1.008 286 E CA 2.063 58.138 56.400 -0.542 0.000 0.810 286 E CB -1.192 27.933 29.700 -0.959 0.000 0.739 286 E HN 0.197 nan 8.360 nan 0.000 0.456 287 V N -1.460 118.181 119.914 -0.454 0.000 2.667 287 V HA -0.119 4.000 4.120 -0.001 0.000 0.252 287 V C 1.829 177.594 176.094 -0.549 0.000 1.065 287 V CA 1.504 63.479 62.300 -0.541 0.000 1.083 287 V CB -0.967 30.460 31.823 -0.660 0.000 0.692 287 V HN 0.271 nan 8.190 nan 0.000 0.468 288 Y N 0.479 120.635 120.300 -0.240 0.000 2.286 288 Y HA 0.217 4.766 4.550 -0.001 0.000 0.293 288 Y C 2.354 178.138 175.900 -0.193 0.000 1.124 288 Y CA 1.402 59.402 58.100 -0.167 0.000 1.178 288 Y CB -0.450 37.968 38.460 -0.069 0.000 1.010 288 Y HN 0.157 nan 8.280 nan 0.000 0.536 289 I N -0.226 120.294 120.570 -0.084 0.000 2.315 289 I HA -0.341 3.829 4.170 -0.001 0.000 0.251 289 I C 1.935 177.947 176.117 -0.176 0.000 1.125 289 I CA 1.535 62.741 61.300 -0.157 0.000 1.392 289 I CB -0.361 37.510 38.000 -0.216 0.000 1.065 289 I HN 0.227 nan 8.210 nan 0.000 0.424 290 I N -0.222 120.223 120.570 -0.207 0.000 2.233 290 I HA -0.198 3.971 4.170 -0.001 0.000 0.243 290 I C 2.352 178.394 176.117 -0.124 0.000 1.093 290 I CA 1.242 62.431 61.300 -0.185 0.000 1.380 290 I CB -0.246 37.604 38.000 -0.251 0.000 1.067 290 I HN 0.104 nan 8.210 nan 0.000 0.413 291 V N -1.493 118.318 119.914 -0.172 0.000 2.725 291 V HA -0.069 4.051 4.120 -0.001 0.000 0.247 291 V C 2.270 178.155 176.094 -0.350 0.000 1.058 291 V CA 0.679 62.863 62.300 -0.192 0.000 1.080 291 V CB -0.882 30.799 31.823 -0.236 0.000 0.713 291 V HN 0.282 nan 8.190 nan 0.000 0.465 292 L N 0.330 121.340 121.223 -0.355 0.000 1.997 292 L HA -0.146 4.193 4.340 -0.001 0.000 0.216 292 L C 0.356 177.251 176.870 0.042 0.000 1.074 292 L CA 2.461 57.157 54.840 -0.241 0.000 0.763 292 L CB -1.999 40.028 42.059 -0.053 0.000 0.890 292 L HN 0.342 nan 8.230 nan 0.000 0.434 293 P HA -0.206 nan 4.420 nan 0.000 0.216 293 P C 1.365 178.864 177.300 0.331 0.000 1.150 293 P CA 1.918 65.165 63.100 0.246 0.000 0.843 293 P CB -0.052 31.820 31.700 0.286 0.000 0.787 294 A N -1.584 121.351 122.820 0.191 0.000 1.969 294 A HA -0.177 4.143 4.320 -0.001 0.000 0.218 294 A C 1.910 179.524 177.584 0.050 0.000 1.169 294 A CA 1.177 53.272 52.037 0.098 0.000 0.635 294 A CB -1.610 17.467 19.000 0.129 0.000 0.810 294 A HN 0.014 nan 8.150 nan 0.000 0.445 295 F N 0.575 120.530 119.950 0.009 0.000 2.069 295 F HA -0.118 4.409 4.527 -0.001 0.000 0.298 295 F C 2.690 178.617 175.800 0.212 0.000 1.113 295 F CA 0.687 58.784 58.000 0.161 0.000 1.214 295 F CB -1.494 37.701 39.000 0.326 0.000 0.978 295 F HN 0.270 nan 8.300 nan 0.000 0.474 296 G N 0.537 109.634 108.800 0.495 0.000 2.553 296 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.218 296 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.218 296 G C 1.915 177.011 174.900 0.327 0.000 1.195 296 G CA 1.311 46.724 45.100 0.523 0.000 0.779 296 G HN 0.361 nan 8.290 nan 0.000 0.577 297 I N 0.224 120.896 120.570 0.170 0.000 2.127 297 I HA -0.196 3.973 4.170 -0.001 0.000 0.241 297 I C 2.857 178.757 176.117 -0.362 0.000 1.075 297 I CA 0.829 61.980 61.300 -0.249 0.000 1.334 297 I CB -0.563 37.247 38.000 -0.317 0.000 1.040 297 I HN 0.044 nan 8.210 nan 0.000 0.405 298 V N 0.549 120.204 119.914 -0.431 0.000 2.324 298 V HA -0.326 3.793 4.120 -0.001 0.000 0.250 298 V C 2.579 178.405 176.094 -0.447 0.000 1.060 298 V CA 2.307 64.204 62.300 -0.672 0.000 1.042 298 V CB -0.640 30.384 31.823 -1.331 0.000 0.650 298 V HN 0.401 nan 8.190 nan 0.000 0.450 299 S N -1.520 114.149 115.700 -0.053 0.000 2.353 299 S HA -0.230 4.239 4.470 -0.001 0.000 0.222 299 S C 1.812 176.501 174.600 0.149 0.000 1.035 299 S CA 1.612 59.975 58.200 0.271 0.000 1.025 299 S CB -0.504 62.999 63.200 0.506 0.000 0.902 299 S HN 0.709 nan 8.310 nan 0.000 0.440 300 H N -0.077 118.952 119.070 -0.069 0.000 2.352 300 H HA -0.045 4.510 4.556 -0.001 0.000 0.299 300 H C 2.202 177.271 175.328 -0.431 0.000 1.097 300 H CA 1.511 57.468 56.048 -0.151 0.000 1.311 300 H CB -0.138 29.561 29.762 -0.105 0.000 1.377 300 H HN 0.203 nan 8.280 nan 0.000 0.504 301 V N 1.137 120.724 119.914 -0.544 0.000 2.379 301 V HA -0.210 3.909 4.120 -0.001 0.000 0.245 301 V C 2.522 178.468 176.094 -0.246 0.000 1.044 301 V CA 1.357 63.250 62.300 -0.677 0.000 1.036 301 V CB -0.332 31.044 31.823 -0.745 0.000 0.664 301 V HN 0.326 nan 8.190 nan 0.000 0.453 302 I N 0.330 120.773 120.570 -0.212 0.000 2.252 302 I HA -0.213 3.956 4.170 -0.001 0.000 0.245 302 I C 2.721 178.811 176.117 -0.045 0.000 1.102 302 I CA 1.313 62.552 61.300 -0.101 0.000 1.385 302 I CB -0.644 37.303 38.000 -0.089 0.000 1.064 302 I HN 0.290 nan 8.210 nan 0.000 0.414 303 A N 0.700 123.499 122.820 -0.035 0.000 1.884 303 A HA -0.284 4.035 4.320 -0.001 0.000 0.219 303 A C 2.389 179.905 177.584 -0.113 0.000 1.197 303 A CA 2.887 54.903 52.037 -0.035 0.000 0.637 303 A CB -1.299 17.692 19.000 -0.015 0.000 0.827 303 A HN 0.399 nan 8.150 nan 0.000 0.450 304 T N -0.968 113.464 114.554 -0.203 0.000 2.708 304 T HA -0.095 4.254 4.350 -0.001 0.000 0.266 304 T C 1.305 175.686 174.700 -0.532 0.000 1.037 304 T CA 1.738 63.598 62.100 -0.400 0.000 1.146 304 T CB -0.380 68.127 68.868 -0.602 0.000 0.865 304 T HN 0.435 nan 8.240 nan 0.000 0.435 305 F N 0.488 120.293 119.950 -0.241 0.000 2.776 305 F HA 0.459 4.985 4.527 -0.001 0.000 0.300 305 F C 2.125 177.820 175.800 -0.176 0.000 1.116 305 F CA -0.241 57.622 58.000 -0.229 0.000 1.375 305 F CB -0.078 38.745 39.000 -0.296 0.000 1.109 305 F HN 0.100 nan 8.300 nan 0.000 0.585 306 A N -0.155 122.640 122.820 -0.042 0.000 2.238 306 A HA 0.089 4.408 4.320 -0.001 0.000 0.210 306 A C 1.192 178.678 177.584 -0.163 0.000 1.179 306 A CA -0.056 51.939 52.037 -0.070 0.000 0.827 306 A CB -0.377 18.603 19.000 -0.034 0.000 0.856 306 A HN 0.257 nan 8.150 nan 0.000 0.488 307 K N -0.958 119.292 120.400 -0.250 0.000 3.148 307 K HA -0.201 4.118 4.320 -0.001 0.000 0.267 307 K C -0.343 175.770 176.600 -0.811 0.000 0.996 307 K CA 1.314 57.277 56.287 -0.540 0.000 0.737 307 K CB -1.378 30.884 32.500 -0.395 0.000 1.308 307 K HN 0.642 nan 8.250 nan 0.000 0.470 308 K N 0.087 120.244 120.400 -0.404 0.000 2.546 308 K HA 0.380 4.699 4.320 -0.001 0.000 0.264 308 K C -2.930 173.659 176.600 -0.018 0.000 0.937 308 K CA -1.955 54.221 56.287 -0.184 0.000 0.833 308 K CB 2.145 34.600 32.500 -0.075 0.000 1.378 308 K HN -0.295 nan 8.250 nan 0.000 0.432 309 P HA 0.090 nan 4.420 nan 0.000 0.274 309 P C -0.353 177.011 177.300 0.106 0.000 1.231 309 P CA -0.664 62.483 63.100 0.078 0.000 0.790 309 P CB 0.417 32.156 31.700 0.065 0.000 0.951 310 I N 2.266 122.910 120.570 0.124 0.000 2.775 310 I HA -0.045 4.124 4.170 -0.001 0.000 0.290 310 I C 0.086 176.322 176.117 0.198 0.000 1.203 310 I CA 0.148 61.558 61.300 0.184 0.000 1.433 310 I CB -0.560 37.565 38.000 0.208 0.000 1.354 310 I HN 0.286 nan 8.210 nan 0.000 0.579 311 F N 6.141 126.137 119.950 0.077 0.000 2.420 311 F HA 0.474 5.000 4.527 -0.001 0.000 0.352 311 F C 1.074 176.888 175.800 0.023 0.000 1.108 311 F CA 0.048 58.077 58.000 0.049 0.000 1.162 311 F CB 0.750 39.774 39.000 0.040 0.000 1.118 311 F HN 0.704 nan 8.300 nan 0.000 0.510 312 G N 6.056 114.656 108.800 -0.334 0.000 2.359 312 G HA2 -0.397 3.562 3.960 -0.001 0.000 0.298 312 G HA3 -0.397 3.562 3.960 -0.001 0.000 0.298 312 G C 0.460 175.354 174.900 -0.010 0.000 1.030 312 G CA 0.607 45.603 45.100 -0.173 0.000 1.149 312 G HN 1.011 nan 8.290 nan 0.000 0.512 313 Y N -0.303 119.940 120.300 -0.093 0.000 2.102 313 Y HA -0.133 4.416 4.550 -0.001 0.000 0.280 313 Y C 3.040 178.882 175.900 -0.097 0.000 1.178 313 Y CA 3.930 61.995 58.100 -0.059 0.000 1.146 313 Y CB -0.358 38.082 38.460 -0.034 0.000 0.968 313 Y HN 0.860 nan 8.280 nan 0.000 0.504 314 L N -0.430 120.802 121.223 0.016 0.000 2.027 314 L HA -0.026 4.313 4.340 -0.001 0.000 0.206 314 L C 0.377 177.134 176.870 -0.188 0.000 1.074 314 L CA 2.146 56.918 54.840 -0.112 0.000 0.745 314 L CB -2.856 39.216 42.059 0.022 0.000 0.898 314 L HN 0.260 nan 8.230 nan 0.000 0.433 315 P HA -0.236 nan 4.420 nan 0.000 0.216 315 P C 2.103 179.307 177.300 -0.161 0.000 1.157 315 P CA 1.697 64.732 63.100 -0.108 0.000 0.880 315 P CB -0.179 31.490 31.700 -0.053 0.000 0.791 316 M N -1.251 118.229 119.600 -0.200 0.000 2.082 316 M HA -0.132 4.347 4.480 -0.001 0.000 0.258 316 M C 2.063 178.201 176.300 -0.271 0.000 1.069 316 M CA 1.714 56.873 55.300 -0.234 0.000 1.102 316 M CB -1.583 30.879 32.600 -0.231 0.000 1.336 316 M HN -0.144 nan 8.290 nan 0.000 0.404 317 V N -0.568 119.073 119.914 -0.455 0.000 2.358 317 V HA -0.274 3.845 4.120 -0.001 0.000 0.246 317 V C 2.881 178.759 176.094 -0.360 0.000 1.047 317 V CA 2.450 64.391 62.300 -0.598 0.000 1.035 317 V CB -1.977 29.194 31.823 -1.087 0.000 0.658 317 V HN 0.567 nan 8.190 nan 0.000 0.452 318 Y N -0.439 119.700 120.300 -0.268 0.000 2.242 318 Y HA 0.058 4.607 4.550 -0.001 0.000 0.291 318 Y C 2.605 178.450 175.900 -0.092 0.000 1.137 318 Y CA 1.964 59.973 58.100 -0.153 0.000 1.181 318 Y CB -1.086 37.305 38.460 -0.115 0.000 0.989 318 Y HN 0.339 nan 8.280 nan 0.000 0.527 319 A N 0.065 122.831 122.820 -0.090 0.000 1.877 319 A HA -0.168 4.151 4.320 -0.001 0.000 0.216 319 A C 2.306 179.896 177.584 0.010 0.000 1.186 319 A CA 1.865 53.877 52.037 -0.042 0.000 0.620 319 A CB -0.768 18.194 19.000 -0.063 0.000 0.822 319 A HN 0.686 nan 8.150 nan 0.000 0.443 320 M N -0.614 119.001 119.600 0.025 0.000 2.149 320 M HA -0.141 4.338 4.480 -0.001 0.000 0.261 320 M C 2.061 178.402 176.300 0.067 0.000 1.064 320 M CA 1.327 56.691 55.300 0.107 0.000 1.102 320 M CB -0.455 32.234 32.600 0.147 0.000 1.369 320 M HN 0.278 nan 8.290 nan 0.000 0.408 321 V N 0.053 119.981 119.914 0.022 0.000 2.453 321 V HA -0.166 3.953 4.120 -0.001 0.000 0.247 321 V C 2.608 178.702 176.094 0.000 0.000 1.048 321 V CA 1.766 64.080 62.300 0.024 0.000 1.049 321 V CB -1.048 30.782 31.823 0.012 0.000 0.672 321 V HN 0.480 nan 8.190 nan 0.000 0.457 322 A N 0.449 123.261 122.820 -0.014 0.000 1.877 322 A HA -0.157 4.163 4.320 -0.001 0.000 0.216 322 A C 2.134 179.690 177.584 -0.046 0.000 1.186 322 A CA 1.697 53.720 52.037 -0.023 0.000 0.620 322 A CB -0.502 18.485 19.000 -0.022 0.000 0.822 322 A HN 0.366 nan 8.150 nan 0.000 0.443 323 I N 0.294 120.837 120.570 -0.046 0.000 2.118 323 I HA -0.256 3.913 4.170 -0.001 0.000 0.241 323 I C 2.724 178.693 176.117 -0.247 0.000 1.070 323 I CA 1.710 62.924 61.300 -0.144 0.000 1.327 323 I CB -2.096 35.889 38.000 -0.024 0.000 1.034 323 I HN 0.349 nan 8.210 nan 0.000 0.405 324 G N 0.394 109.135 108.800 -0.099 0.000 2.440 324 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.218 324 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.218 324 G C 1.874 176.820 174.900 0.076 0.000 1.154 324 G CA 1.141 46.225 45.100 -0.026 0.000 0.767 324 G HN 0.299 nan 8.290 nan 0.000 0.552 325 V N 0.844 120.794 119.914 0.059 0.000 2.270 325 V HA -0.069 4.051 4.120 -0.001 0.000 0.245 325 V C 2.887 179.047 176.094 0.110 0.000 1.043 325 V CA 1.488 63.856 62.300 0.113 0.000 1.014 325 V CB -0.451 31.390 31.823 0.030 0.000 0.645 325 V HN 0.337 nan 8.190 nan 0.000 0.447 326 L N 0.638 121.852 121.223 -0.015 0.000 2.201 326 L HA -0.047 4.293 4.340 -0.001 0.000 0.212 326 L C 2.528 179.302 176.870 -0.160 0.000 1.105 326 L CA 1.312 56.117 54.840 -0.058 0.000 0.775 326 L CB -1.075 40.931 42.059 -0.088 0.000 0.913 326 L HN 0.488 nan 8.230 nan 0.000 0.440 327 G N -0.493 108.118 108.800 -0.315 0.000 2.537 327 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.220 327 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.220 327 G C 1.171 175.793 174.900 -0.464 0.000 1.111 327 G CA 0.428 45.206 45.100 -0.538 0.000 0.748 327 G HN 0.313 nan 8.290 nan 0.000 0.564 328 F N -0.422 119.432 119.950 -0.160 0.000 2.749 328 F HA 0.197 4.723 4.527 -0.001 0.000 0.300 328 F C 1.699 177.524 175.800 0.042 0.000 1.103 328 F CA 0.121 57.998 58.000 -0.206 0.000 1.342 328 F CB 0.963 39.849 39.000 -0.189 0.000 1.098 328 F HN 0.080 nan 8.300 nan 0.000 0.586 329 V N -2.138 117.933 119.914 0.262 0.000 2.988 329 V HA 0.276 4.396 4.120 -0.001 0.000 0.356 329 V C 0.445 176.607 176.094 0.114 0.000 1.380 329 V CA 0.286 62.803 62.300 0.361 0.000 1.184 329 V CB -0.328 31.649 31.823 0.257 0.000 1.204 329 V HN 0.037 nan 8.190 nan 0.000 0.530 330 V N -4.033 115.950 119.914 0.115 0.000 3.398 330 V HA 0.265 4.385 4.120 -0.001 0.000 0.298 330 V C 1.769 177.685 176.094 -0.295 0.000 1.496 330 V CA 0.370 62.638 62.300 -0.053 0.000 1.044 330 V CB -0.550 31.170 31.823 -0.173 0.000 0.880 330 V HN 0.730 nan 8.190 nan 0.000 0.443 331 W N 2.490 123.730 121.300 -0.100 0.000 2.325 331 W HA -0.048 4.611 4.660 -0.001 0.000 0.299 331 W C 1.906 178.132 176.519 -0.488 0.000 1.215 331 W CA 2.036 59.264 57.345 -0.195 0.000 1.244 331 W CB -1.014 28.499 29.460 0.089 0.000 1.140 331 W HN 0.230 nan 8.180 nan 0.000 0.523 332 A N 1.657 123.614 122.820 -1.438 0.000 2.209 332 A HA -0.160 4.159 4.320 -0.001 0.000 0.212 332 A C 1.845 178.755 177.584 -1.124 0.000 1.158 332 A CA 1.188 52.379 52.037 -1.411 0.000 0.742 332 A CB -1.807 15.827 19.000 -2.276 0.000 0.790 332 A HN 0.799 nan 8.150 nan 0.000 0.472 333 H N -2.758 115.737 119.070 -0.959 0.000 2.560 333 H HA -0.042 4.513 4.556 -0.001 0.000 0.283 333 H C 0.750 175.347 175.328 -1.218 0.000 1.028 333 H CA 0.999 56.267 56.048 -1.299 0.000 1.221 333 H CB -0.352 29.000 29.762 -0.683 0.000 1.363 333 H HN 0.648 nan 8.280 nan 0.000 0.594 334 H N 0.330 118.965 119.070 -0.725 0.000 2.526 334 H HA 0.213 4.768 4.556 -0.001 0.000 0.274 334 H C 0.605 175.541 175.328 -0.654 0.000 0.999 334 H CA 0.282 55.842 56.048 -0.813 0.000 1.157 334 H CB 0.498 29.195 29.762 -1.775 0.000 1.407 334 H HN 0.498 nan 8.280 nan 0.000 0.568 335 M N -0.745 118.512 119.600 -0.571 0.000 2.687 335 M HA 0.082 4.561 4.480 -0.001 0.000 0.413 335 M C 0.317 176.439 176.300 -0.296 0.000 1.216 335 M CA -0.176 54.895 55.300 -0.380 0.000 0.871 335 M CB 0.649 33.038 32.600 -0.352 0.000 1.481 335 M HN -0.048 nan 8.290 nan 0.000 0.521 336 Y N 0.838 120.968 120.300 -0.285 0.000 2.315 336 Y HA -0.149 4.401 4.550 -0.001 0.000 0.288 336 Y C 2.814 178.613 175.900 -0.170 0.000 1.154 336 Y CA 1.868 59.847 58.100 -0.201 0.000 1.229 336 Y CB -0.826 37.532 38.460 -0.170 0.000 0.980 336 Y HN 0.385 nan 8.280 nan 0.000 0.540 337 T N -4.038 110.462 114.554 -0.090 0.000 3.069 337 T HA 0.413 4.762 4.350 -0.001 0.000 0.252 337 T C 1.670 176.361 174.700 -0.015 0.000 1.053 337 T CA 0.331 62.404 62.100 -0.045 0.000 0.964 337 T CB -0.134 68.717 68.868 -0.028 0.000 1.005 337 T HN 0.164 nan 8.240 nan 0.000 0.532 338 A N 0.964 123.760 122.820 -0.039 0.000 2.206 338 A HA 0.608 4.928 4.320 -0.001 0.000 0.211 338 A C 1.802 179.397 177.584 0.018 0.000 1.158 338 A CA 0.389 52.424 52.037 -0.004 0.000 0.761 338 A CB -0.888 18.085 19.000 -0.044 0.000 0.801 338 A HN 1.450 nan 8.150 nan 0.000 0.473 339 G N -0.937 107.878 108.800 0.025 0.000 2.181 339 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.152 339 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.152 339 G C -0.123 174.814 174.900 0.062 0.000 1.026 339 G CA -0.151 44.976 45.100 0.046 0.000 0.699 339 G HN 0.340 nan 8.290 nan 0.000 0.497 340 L N 1.542 122.802 121.223 0.062 0.000 2.452 340 L HA 0.482 4.822 4.340 -0.001 0.000 0.267 340 L C 1.670 178.593 176.870 0.090 0.000 1.188 340 L CA 0.063 54.959 54.840 0.093 0.000 0.821 340 L CB 0.868 42.982 42.059 0.093 0.000 1.102 340 L HN 0.522 nan 8.230 nan 0.000 0.470 341 S N 1.437 117.197 115.700 0.100 0.000 2.608 341 S HA 0.063 4.532 4.470 -0.001 0.000 0.261 341 S C 0.805 175.454 174.600 0.083 0.000 1.314 341 S CA -0.655 57.593 58.200 0.081 0.000 0.992 341 S CB 0.906 64.154 63.200 0.079 0.000 0.935 341 S HN 0.563 nan 8.310 nan 0.000 0.564 342 L N 1.428 122.686 121.223 0.059 0.000 2.083 342 L HA -0.012 4.327 4.340 -0.001 0.000 0.209 342 L C 2.422 179.331 176.870 0.065 0.000 1.083 342 L CA 2.239 57.106 54.840 0.046 0.000 0.752 342 L CB -1.712 40.362 42.059 0.025 0.000 0.899 342 L HN 0.958 nan 8.230 nan 0.000 0.433 343 T N -0.649 113.949 114.554 0.073 0.000 2.674 343 T HA -0.223 4.127 4.350 -0.001 0.000 0.265 343 T C 1.812 176.600 174.700 0.146 0.000 1.039 343 T CA 1.859 64.010 62.100 0.085 0.000 1.150 343 T CB -0.204 68.702 68.868 0.063 0.000 0.864 343 T HN 0.481 nan 8.240 nan 0.000 0.427 344 Q N 0.675 120.582 119.800 0.179 0.000 2.096 344 Q HA -0.153 4.186 4.340 -0.001 0.000 0.204 344 Q C 2.583 178.821 176.000 0.398 0.000 0.982 344 Q CA 1.366 57.355 55.803 0.310 0.000 0.850 344 Q CB -0.199 28.704 28.738 0.277 0.000 0.901 344 Q HN 0.598 nan 8.270 nan 0.000 0.422 345 Q N -0.276 119.680 119.800 0.260 0.000 2.124 345 Q HA -0.127 4.212 4.340 -0.001 0.000 0.202 345 Q C 2.242 178.361 176.000 0.198 0.000 0.977 345 Q CA 1.363 57.322 55.803 0.260 0.000 0.850 345 Q CB 0.076 28.878 28.738 0.106 0.000 0.901 345 Q HN 0.230 nan 8.270 nan 0.000 0.429 346 S N 0.029 115.808 115.700 0.131 0.000 2.345 346 S HA -0.171 4.298 4.470 -0.001 0.000 0.220 346 S C 1.625 176.272 174.600 0.078 0.000 1.031 346 S CA 1.199 59.442 58.200 0.071 0.000 0.996 346 S CB -0.442 62.790 63.200 0.053 0.000 0.882 346 S HN 0.488 nan 8.310 nan 0.000 0.445 347 Y N 1.646 121.952 120.300 0.010 0.000 2.097 347 Y HA -0.208 4.341 4.550 -0.001 0.000 0.282 347 Y C 1.803 177.625 175.900 -0.131 0.000 1.152 347 Y CA 1.494 59.534 58.100 -0.101 0.000 1.136 347 Y CB -0.807 37.530 38.460 -0.205 0.000 0.975 347 Y HN 0.196 nan 8.280 nan 0.000 0.498 348 F N -0.021 119.685 119.950 -0.408 0.000 2.216 348 F HA -0.231 4.296 4.527 -0.001 0.000 0.300 348 F C 2.740 178.404 175.800 -0.227 0.000 1.085 348 F CA 1.799 59.501 58.000 -0.497 0.000 1.326 348 F CB -0.586 38.258 39.000 -0.261 0.000 1.027 348 F HN 0.177 nan 8.300 nan 0.000 0.497 349 M N -0.585 119.085 119.600 0.117 0.000 2.108 349 M HA -0.284 4.195 4.480 -0.001 0.000 0.261 349 M C 2.028 178.301 176.300 -0.045 0.000 1.066 349 M CA 1.858 57.205 55.300 0.079 0.000 1.107 349 M CB -0.117 32.479 32.600 -0.007 0.000 1.356 349 M HN 0.166 nan 8.290 nan 0.000 0.406 350 M N -0.931 118.588 119.600 -0.134 0.000 2.248 350 M HA -0.010 4.470 4.480 -0.001 0.000 0.265 350 M C 2.376 178.563 176.300 -0.189 0.000 1.079 350 M CA 1.173 56.392 55.300 -0.136 0.000 1.150 350 M CB -0.556 31.982 32.600 -0.103 0.000 1.366 350 M HN 0.426 nan 8.290 nan 0.000 0.433 351 A N 0.547 123.136 122.820 -0.386 0.000 1.892 351 A HA -0.197 4.123 4.320 -0.001 0.000 0.218 351 A C 2.204 179.687 177.584 -0.169 0.000 1.188 351 A CA 2.557 54.380 52.037 -0.356 0.000 0.631 351 A CB -1.368 17.223 19.000 -0.683 0.000 0.822 351 A HN 0.472 nan 8.150 nan 0.000 0.447 352 T N -0.074 114.418 114.554 -0.102 0.000 2.833 352 T HA -0.114 4.235 4.350 -0.001 0.000 0.269 352 T C 1.878 176.571 174.700 -0.011 0.000 1.054 352 T CA 1.681 63.793 62.100 0.019 0.000 1.135 352 T CB -0.292 68.656 68.868 0.133 0.000 0.869 352 T HN 0.468 nan 8.240 nan 0.000 0.466 353 M N 0.317 119.895 119.600 -0.037 0.000 2.200 353 M HA -0.047 4.433 4.480 -0.001 0.000 0.265 353 M C 2.416 178.701 176.300 -0.026 0.000 1.066 353 M CA 1.021 56.301 55.300 -0.032 0.000 1.127 353 M CB -0.498 32.079 32.600 -0.040 0.000 1.379 353 M HN 0.099 nan 8.290 nan 0.000 0.420 354 V N 0.931 120.821 119.914 -0.039 0.000 2.233 354 V HA -0.302 3.817 4.120 -0.001 0.000 0.247 354 V C 2.204 178.289 176.094 -0.015 0.000 1.050 354 V CA 2.035 64.317 62.300 -0.030 0.000 1.010 354 V CB -0.566 31.232 31.823 -0.042 0.000 0.637 354 V HN 0.473 nan 8.190 nan 0.000 0.444 355 I N 0.178 120.736 120.570 -0.020 0.000 2.530 355 I HA -0.266 3.904 4.170 -0.001 0.000 0.257 355 I C 2.333 178.481 176.117 0.052 0.000 1.179 355 I CA 1.305 62.603 61.300 -0.004 0.000 1.440 355 I CB -0.259 37.718 38.000 -0.039 0.000 1.087 355 I HN 0.335 nan 8.210 nan 0.000 0.440 356 A N -0.148 122.699 122.820 0.045 0.000 2.015 356 A HA -0.117 4.202 4.320 -0.001 0.000 0.219 356 A C 2.213 179.824 177.584 0.045 0.000 1.163 356 A CA 1.618 53.687 52.037 0.052 0.000 0.646 356 A CB -0.688 18.320 19.000 0.014 0.000 0.806 356 A HN 0.343 nan 8.150 nan 0.000 0.448 357 V N 1.102 121.034 119.914 0.030 0.000 2.221 357 V HA -0.135 3.984 4.120 -0.001 0.000 0.242 357 V C -0.074 176.038 176.094 0.031 0.000 1.041 357 V CA 2.228 64.545 62.300 0.029 0.000 0.995 357 V CB -1.693 30.143 31.823 0.022 0.000 0.635 357 V HN 0.407 nan 8.190 nan 0.000 0.448 358 P HA -0.145 nan 4.420 nan 0.000 0.218 358 P C 1.631 178.957 177.300 0.044 0.000 1.148 358 P CA 1.766 64.879 63.100 0.022 0.000 0.822 358 P CB -0.280 31.431 31.700 0.018 0.000 0.784 359 T N -0.305 114.320 114.554 0.119 0.000 2.674 359 T HA -0.073 4.276 4.350 -0.001 0.000 0.265 359 T C 2.195 176.993 174.700 0.163 0.000 1.039 359 T CA 1.866 64.114 62.100 0.246 0.000 1.150 359 T CB -1.254 67.834 68.868 0.367 0.000 0.864 359 T HN 0.195 nan 8.240 nan 0.000 0.427 360 G N 1.058 109.897 108.800 0.066 0.000 2.408 360 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.217 360 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.217 360 G C 1.512 176.262 174.900 -0.250 0.000 1.150 360 G CA 0.382 45.444 45.100 -0.064 0.000 0.776 360 G HN 0.375 nan 8.290 nan 0.000 0.542 361 I N 1.150 121.637 120.570 -0.138 0.000 2.185 361 I HA -0.234 3.935 4.170 -0.001 0.000 0.246 361 I C 2.906 178.885 176.117 -0.230 0.000 1.088 361 I CA 1.259 62.509 61.300 -0.084 0.000 1.347 361 I CB -0.145 37.870 38.000 0.025 0.000 1.041 361 I HN 0.177 nan 8.210 nan 0.000 0.415 362 M N -0.940 118.450 119.600 -0.351 0.000 2.267 362 M HA -0.223 4.257 4.480 -0.001 0.000 0.263 362 M C 2.094 177.962 176.300 -0.719 0.000 1.063 362 M CA 1.227 56.085 55.300 -0.737 0.000 1.090 362 M CB -0.451 31.496 32.600 -1.088 0.000 1.392 362 M HN 0.204 nan 8.290 nan 0.000 0.422 363 I N 0.053 120.439 120.570 -0.307 0.000 2.163 363 I HA -0.271 3.899 4.170 -0.001 0.000 0.243 363 I C 2.295 178.393 176.117 -0.031 0.000 1.085 363 I CA 1.854 63.136 61.300 -0.029 0.000 1.347 363 I CB -1.262 36.654 38.000 -0.140 0.000 1.044 363 I HN 0.164 nan 8.210 nan 0.000 0.408 364 F N 1.431 121.346 119.950 -0.060 0.000 2.095 364 F HA -0.176 4.350 4.527 -0.001 0.000 0.298 364 F C 2.934 178.608 175.800 -0.210 0.000 1.104 364 F CA 1.273 59.198 58.000 -0.125 0.000 1.232 364 F CB -1.588 37.322 39.000 -0.151 0.000 0.987 364 F HN 0.002 nan 8.300 nan 0.000 0.475 365 S N -1.068 114.588 115.700 -0.073 0.000 2.370 365 S HA -0.205 4.264 4.470 -0.001 0.000 0.226 365 S C 1.906 176.468 174.600 -0.064 0.000 1.033 365 S CA 1.170 59.276 58.200 -0.156 0.000 1.011 365 S CB -0.445 62.640 63.200 -0.191 0.000 0.852 365 S HN 0.386 nan 8.310 nan 0.000 0.457 366 W N 1.268 122.558 121.300 -0.016 0.000 2.402 366 W HA 0.140 4.799 4.660 -0.001 0.000 0.286 366 W C 1.963 178.492 176.519 0.016 0.000 1.221 366 W CA 0.057 57.397 57.345 -0.009 0.000 1.257 366 W CB -0.948 28.490 29.460 -0.038 0.000 1.120 366 W HN 0.323 nan 8.180 nan 0.000 0.551 367 I N 0.124 120.835 120.570 0.235 0.000 2.353 367 I HA -0.202 3.967 4.170 -0.001 0.000 0.248 367 I C 2.491 178.697 176.117 0.147 0.000 1.119 367 I CA 1.292 62.711 61.300 0.198 0.000 1.417 367 I CB -0.733 37.391 38.000 0.206 0.000 1.078 367 I HN -0.209 nan 8.210 nan 0.000 0.421 368 A N 0.119 122.905 122.820 -0.058 0.000 2.067 368 A HA -0.146 4.174 4.320 -0.001 0.000 0.219 368 A C 2.270 179.870 177.584 0.028 0.000 1.158 368 A CA 1.939 53.826 52.037 -0.251 0.000 0.661 368 A CB -0.813 17.532 19.000 -1.092 0.000 0.801 368 A HN 0.374 nan 8.150 nan 0.000 0.452 369 T N -0.135 114.500 114.554 0.135 0.000 2.942 369 T HA -0.026 4.323 4.350 -0.001 0.000 0.265 369 T C 1.876 176.672 174.700 0.161 0.000 1.062 369 T CA 1.431 63.658 62.100 0.211 0.000 1.139 369 T CB -0.233 68.775 68.868 0.233 0.000 0.883 369 T HN 0.470 nan 8.240 nan 0.000 0.468 370 M N -0.357 119.337 119.600 0.157 0.000 2.254 370 M HA 0.038 4.517 4.480 -0.001 0.000 0.265 370 M C 0.950 177.318 176.300 0.114 0.000 1.066 370 M CA 0.591 55.955 55.300 0.106 0.000 1.123 370 M CB -0.069 32.591 32.600 0.101 0.000 1.388 370 M HN 0.295 nan 8.290 nan 0.000 0.425 371 W N 2.028 123.327 121.300 -0.001 0.000 2.397 371 W HA 0.149 4.809 4.660 -0.001 0.000 0.327 371 W C 0.807 177.330 176.519 0.006 0.000 1.421 371 W CA 1.744 59.084 57.345 -0.007 0.000 1.288 371 W CB 0.150 29.591 29.460 -0.031 0.000 1.312 371 W HN 0.601 nan 8.180 nan 0.000 0.559 372 G N 3.686 112.389 108.800 -0.162 0.000 2.176 372 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.253 372 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.253 372 G C 0.392 175.261 174.900 -0.051 0.000 0.979 372 G CA 0.007 45.071 45.100 -0.060 0.000 0.641 372 G HN 0.919 nan 8.290 nan 0.000 0.530 373 G N -0.667 108.096 108.800 -0.063 0.000 2.510 373 G HA2 0.540 4.500 3.960 -0.001 0.000 0.280 373 G HA3 0.540 4.500 3.960 -0.001 0.000 0.280 373 G C 0.225 175.069 174.900 -0.092 0.000 1.386 373 G CA 0.708 45.764 45.100 -0.074 0.000 1.047 373 G HN 1.203 nan 8.290 nan 0.000 0.527 374 S N -0.418 115.225 115.700 -0.096 0.000 2.395 374 S HA 0.415 4.884 4.470 -0.001 0.000 0.207 374 S C -0.300 174.265 174.600 -0.059 0.000 1.454 374 S CA -0.605 57.549 58.200 -0.076 0.000 1.211 374 S CB -0.415 62.744 63.200 -0.067 0.000 1.093 374 S HN 0.367 nan 8.310 nan 0.000 0.472 375 I N 4.443 124.980 120.570 -0.055 0.000 2.396 375 I HA 0.230 4.400 4.170 -0.001 0.000 0.289 375 I C 0.319 176.427 176.117 -0.015 0.000 1.056 375 I CA -0.089 61.189 61.300 -0.037 0.000 1.365 375 I CB 0.806 38.770 38.000 -0.060 0.000 1.407 375 I HN 0.530 nan 8.210 nan 0.000 0.509 376 E N 7.416 127.636 120.200 0.035 0.000 2.174 376 E HA 0.316 4.666 4.350 -0.001 0.000 0.282 376 E C -0.556 176.016 176.600 -0.047 0.000 0.992 376 E CA -0.607 55.823 56.400 0.050 0.000 0.803 376 E CB 1.675 31.477 29.700 0.170 0.000 1.090 376 E HN 0.569 nan 8.360 nan 0.000 0.396 377 L N 3.539 124.705 121.223 -0.096 0.000 2.934 377 L HA 0.144 4.484 4.340 -0.001 0.000 0.233 377 L C 0.363 177.079 176.870 -0.256 0.000 1.358 377 L CA -0.243 54.474 54.840 -0.206 0.000 1.233 377 L CB -0.476 41.489 42.059 -0.156 0.000 1.594 377 L HN 0.246 nan 8.230 nan 0.000 0.439 378 K N -0.258 119.943 120.400 -0.332 0.000 2.107 378 K HA 0.219 4.538 4.320 -0.001 0.000 0.251 378 K C 1.319 177.617 176.600 -0.504 0.000 1.012 378 K CA -0.258 55.845 56.287 -0.307 0.000 0.920 378 K CB 1.108 33.476 32.500 -0.220 0.000 1.033 378 K HN 0.066 nan 8.250 nan 0.000 0.478 379 T N 2.449 116.810 114.554 -0.322 0.000 2.624 379 T HA -0.160 4.190 4.350 -0.001 0.000 0.266 379 T C -1.087 173.319 174.700 -0.491 0.000 1.050 379 T CA 1.865 63.671 62.100 -0.491 0.000 1.163 379 T CB -0.926 67.641 68.868 -0.500 0.000 0.861 379 T HN 0.493 nan 8.240 nan 0.000 0.443 380 P HA -0.000 nan 4.420 nan 0.000 0.218 380 P C 1.556 178.519 177.300 -0.563 0.000 1.149 380 P CA 0.801 63.694 63.100 -0.345 0.000 0.817 380 P CB -0.105 31.364 31.700 -0.384 0.000 0.785 381 M N -0.947 118.111 119.600 -0.904 0.000 2.132 381 M HA -0.079 4.400 4.480 -0.001 0.000 0.263 381 M C 1.844 177.779 176.300 -0.607 0.000 1.065 381 M CA 1.682 56.566 55.300 -0.693 0.000 1.122 381 M CB -1.403 30.787 32.600 -0.683 0.000 1.365 381 M HN -0.199 nan 8.290 nan 0.000 0.411 382 L N -1.644 119.064 121.223 -0.857 0.000 1.990 382 L HA -0.264 4.075 4.340 -0.001 0.000 0.213 382 L C 2.264 178.469 176.870 -1.109 0.000 1.072 382 L CA 1.857 55.871 54.840 -1.376 0.000 0.755 382 L CB -1.013 39.709 42.059 -2.230 0.000 0.889 382 L HN 0.429 nan 8.230 nan 0.000 0.432 383 W N -0.391 120.550 121.300 -0.598 0.000 2.342 383 W HA -0.200 4.459 4.660 -0.001 0.000 0.297 383 W C 2.699 179.262 176.519 0.074 0.000 1.213 383 W CA 0.853 58.128 57.345 -0.117 0.000 1.251 383 W CB -0.376 28.991 29.460 -0.154 0.000 1.136 383 W HN 0.131 nan 8.180 nan 0.000 0.526 384 A N -0.083 122.757 122.820 0.034 0.000 1.929 384 A HA -0.100 4.219 4.320 -0.001 0.000 0.216 384 A C 1.922 179.506 177.584 -0.001 0.000 1.176 384 A CA 1.181 53.172 52.037 -0.077 0.000 0.628 384 A CB -0.840 17.988 19.000 -0.287 0.000 0.816 384 A HN 0.296 nan 8.150 nan 0.000 0.444 385 L N -0.917 120.266 121.223 -0.068 0.000 2.109 385 L HA -0.038 4.301 4.340 -0.001 0.000 0.207 385 L C 2.823 179.770 176.870 0.128 0.000 1.086 385 L CA 0.897 55.720 54.840 -0.029 0.000 0.760 385 L CB -0.853 41.098 42.059 -0.180 0.000 0.910 385 L HN 0.470 nan 8.230 nan 0.000 0.437 386 G N 0.114 109.051 108.800 0.229 0.000 2.446 386 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.217 386 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.217 386 G C 1.502 176.672 174.900 0.450 0.000 1.168 386 G CA 0.698 46.104 45.100 0.510 0.000 0.771 386 G HN 0.282 nan 8.290 nan 0.000 0.551 387 F N 1.389 121.543 119.950 0.340 0.000 2.091 387 F HA -0.090 4.436 4.527 -0.001 0.000 0.299 387 F C 2.511 178.384 175.800 0.122 0.000 1.103 387 F CA 1.453 59.545 58.000 0.154 0.000 1.228 387 F CB -0.282 38.762 39.000 0.073 0.000 0.984 387 F HN 0.054 nan 8.300 nan 0.000 0.477 388 L N -1.038 120.398 121.223 0.355 0.000 2.012 388 L HA -0.242 4.098 4.340 -0.001 0.000 0.210 388 L C 2.473 179.488 176.870 0.242 0.000 1.073 388 L CA 1.772 56.784 54.840 0.286 0.000 0.748 388 L CB -1.052 41.155 42.059 0.246 0.000 0.891 388 L HN 0.267 nan 8.230 nan 0.000 0.431 389 F N 0.868 120.897 119.950 0.132 0.000 2.051 389 F HA -0.213 4.314 4.527 -0.001 0.000 0.296 389 F C 2.287 178.133 175.800 0.077 0.000 1.122 389 F CA 1.575 59.654 58.000 0.131 0.000 1.201 389 F CB -0.270 38.868 39.000 0.229 0.000 0.978 389 F HN -0.154 nan 8.300 nan 0.000 0.472 390 L N -1.052 120.209 121.223 0.062 0.000 2.046 390 L HA -0.218 4.121 4.340 -0.001 0.000 0.208 390 L C 2.469 179.230 176.870 -0.181 0.000 1.077 390 L CA 1.478 56.269 54.840 -0.082 0.000 0.747 390 L CB -0.981 40.980 42.059 -0.163 0.000 0.896 390 L HN 0.209 nan 8.230 nan 0.000 0.432 391 F N 0.784 120.491 119.950 -0.405 0.000 2.171 391 F HA -0.214 4.312 4.527 -0.001 0.000 0.300 391 F C 2.475 178.131 175.800 -0.241 0.000 1.090 391 F CA 1.784 59.544 58.000 -0.401 0.000 1.293 391 F CB -0.234 38.422 39.000 -0.575 0.000 1.013 391 F HN -0.069 nan 8.300 nan 0.000 0.486 392 T N -0.351 114.122 114.554 -0.135 0.000 2.732 392 T HA -0.133 4.217 4.350 -0.001 0.000 0.261 392 T C 2.192 176.682 174.700 -0.349 0.000 1.040 392 T CA 1.579 63.558 62.100 -0.202 0.000 1.145 392 T CB -0.557 68.243 68.868 -0.113 0.000 0.866 392 T HN 0.056 nan 8.240 nan 0.000 0.427 393 V N 1.411 121.023 119.914 -0.503 0.000 2.332 393 V HA -0.154 3.965 4.120 -0.001 0.000 0.248 393 V C 2.802 178.569 176.094 -0.544 0.000 1.055 393 V CA 2.100 64.031 62.300 -0.616 0.000 1.038 393 V CB -1.300 29.968 31.823 -0.926 0.000 0.651 393 V HN 0.611 nan 8.190 nan 0.000 0.450 394 G N -0.258 108.272 108.800 -0.450 0.000 2.402 394 G HA2 -0.114 3.846 3.960 -0.001 0.000 0.216 394 G HA3 -0.114 3.846 3.960 -0.001 0.000 0.216 394 G C 1.616 176.349 174.900 -0.279 0.000 1.162 394 G CA 0.839 45.733 45.100 -0.343 0.000 0.777 394 G HN 0.589 nan 8.290 nan 0.000 0.539 395 G N 0.658 109.211 108.800 -0.412 0.000 2.422 395 G HA2 -0.099 3.861 3.960 -0.001 0.000 0.218 395 G HA3 -0.099 3.861 3.960 -0.001 0.000 0.218 395 G C 1.935 176.716 174.900 -0.199 0.000 1.140 395 G CA 1.831 46.724 45.100 -0.346 0.000 0.775 395 G HN 0.729 nan 8.290 nan 0.000 0.545 396 V N 0.021 119.807 119.914 -0.214 0.000 2.515 396 V HA -0.112 4.007 4.120 -0.001 0.000 0.250 396 V C 2.834 178.834 176.094 -0.157 0.000 1.058 396 V CA 2.463 64.661 62.300 -0.171 0.000 1.064 396 V CB -1.396 30.321 31.823 -0.176 0.000 0.675 396 V HN 0.436 nan 8.190 nan 0.000 0.461 397 T N -1.686 112.761 114.554 -0.178 0.000 2.951 397 T HA 0.086 4.435 4.350 -0.001 0.000 0.268 397 T C 2.035 176.574 174.700 -0.269 0.000 1.073 397 T CA 1.198 63.192 62.100 -0.177 0.000 1.134 397 T CB -0.735 67.948 68.868 -0.308 0.000 0.884 397 T HN 0.629 nan 8.240 nan 0.000 0.479 398 G N 2.420 111.007 108.800 -0.354 0.000 2.440 398 G HA2 -0.121 3.839 3.960 -0.001 0.000 0.218 398 G HA3 -0.121 3.839 3.960 -0.001 0.000 0.218 398 G C 1.500 176.245 174.900 -0.258 0.000 1.154 398 G CA 0.906 45.704 45.100 -0.504 0.000 0.767 398 G HN 0.464 nan 8.290 nan 0.000 0.552 399 I N 1.039 121.515 120.570 -0.157 0.000 2.118 399 I HA -0.193 3.977 4.170 -0.001 0.000 0.241 399 I C 3.009 179.075 176.117 -0.084 0.000 1.070 399 I CA 1.028 62.266 61.300 -0.103 0.000 1.327 399 I CB -1.396 36.556 38.000 -0.079 0.000 1.034 399 I HN 0.062 nan 8.210 nan 0.000 0.405 400 V N 1.239 121.116 119.914 -0.062 0.000 2.252 400 V HA -0.284 3.835 4.120 -0.001 0.000 0.249 400 V C 2.622 178.719 176.094 0.004 0.000 1.056 400 V CA 1.793 64.089 62.300 -0.006 0.000 1.022 400 V CB -0.750 31.112 31.823 0.066 0.000 0.641 400 V HN 0.360 nan 8.190 nan 0.000 0.445 401 L N 1.012 122.218 121.223 -0.029 0.000 2.275 401 L HA -0.121 4.218 4.340 -0.001 0.000 0.215 401 L C 2.653 179.516 176.870 -0.011 0.000 1.119 401 L CA 1.487 56.320 54.840 -0.011 0.000 0.790 401 L CB -0.699 41.283 42.059 -0.129 0.000 0.919 401 L HN 0.574 nan 8.230 nan 0.000 0.443 402 S N -1.346 114.311 115.700 -0.071 0.000 2.423 402 S HA -0.117 4.352 4.470 -0.001 0.000 0.231 402 S C 1.091 175.684 174.600 -0.012 0.000 1.014 402 S CA 0.364 58.551 58.200 -0.020 0.000 0.965 402 S CB -0.272 62.887 63.200 -0.068 0.000 0.785 402 S HN 0.330 nan 8.310 nan 0.000 0.495 403 Q N 1.513 121.270 119.800 -0.072 0.000 2.325 403 Q HA 0.466 4.806 4.340 -0.001 0.000 0.256 403 Q C 1.277 177.122 176.000 -0.259 0.000 1.142 403 Q CA 0.431 56.148 55.803 -0.144 0.000 0.902 403 Q CB 0.447 29.123 28.738 -0.102 0.000 1.350 403 Q HN 0.495 nan 8.270 nan 0.000 0.449 404 A N 3.054 125.547 122.820 -0.544 0.000 1.958 404 A HA -0.275 4.044 4.320 -0.001 0.000 0.221 404 A C 2.135 179.490 177.584 -0.381 0.000 1.178 404 A CA 2.254 53.777 52.037 -0.857 0.000 0.642 404 A CB -0.344 17.941 19.000 -1.192 0.000 0.816 404 A HN 0.725 nan 8.150 nan 0.000 0.453 405 S N -0.658 114.888 115.700 -0.256 0.000 2.402 405 S HA -0.079 4.391 4.470 -0.001 0.000 0.229 405 S C 1.622 176.140 174.600 -0.136 0.000 1.021 405 S CA 1.372 59.475 58.200 -0.161 0.000 0.974 405 S CB -0.684 62.438 63.200 -0.129 0.000 0.800 405 S HN 0.311 nan 8.310 nan 0.000 0.484 406 V N 2.051 121.881 119.914 -0.139 0.000 2.649 406 V HA -0.020 4.099 4.120 -0.001 0.000 0.248 406 V C 2.365 178.401 176.094 -0.097 0.000 1.054 406 V CA 1.617 63.827 62.300 -0.150 0.000 1.073 406 V CB -0.928 30.823 31.823 -0.120 0.000 0.699 406 V HN 0.452 nan 8.190 nan 0.000 0.463 407 D N 0.246 120.638 120.400 -0.015 0.000 2.263 407 D HA -0.199 4.440 4.640 -0.001 0.000 0.208 407 D C 2.183 178.554 176.300 0.118 0.000 0.971 407 D CA 0.784 54.855 54.000 0.118 0.000 0.867 407 D CB -0.007 40.908 40.800 0.192 0.000 0.929 407 D HN 0.156 nan 8.370 nan 0.000 0.492 408 R N -0.902 119.613 120.500 0.024 0.000 2.113 408 R HA -0.218 4.121 4.340 -0.001 0.000 0.244 408 R C 1.965 178.297 176.300 0.055 0.000 1.142 408 R CA 1.592 57.713 56.100 0.035 0.000 0.953 408 R CB -0.920 29.374 30.300 -0.009 0.000 0.860 408 R HN 0.364 nan 8.270 nan 0.000 0.438 409 Y N -1.174 119.037 120.300 -0.149 0.000 2.206 409 Y HA -0.147 4.402 4.550 -0.001 0.000 0.292 409 Y C 1.406 177.226 175.900 -0.134 0.000 1.123 409 Y CA 1.521 59.493 58.100 -0.213 0.000 1.142 409 Y CB -0.142 38.062 38.460 -0.428 0.000 1.006 409 Y HN 0.099 nan 8.280 nan 0.000 0.518 410 Y N -1.000 119.413 120.300 0.188 0.000 2.475 410 Y HA 0.005 4.554 4.550 -0.001 0.000 0.289 410 Y C 0.906 176.871 175.900 0.109 0.000 1.121 410 Y CA 0.587 58.755 58.100 0.113 0.000 1.257 410 Y CB -1.266 37.175 38.460 -0.032 0.000 1.026 410 Y HN 0.098 nan 8.280 nan 0.000 0.555 411 H N 1.692 120.872 119.070 0.184 0.000 3.034 411 H HA -0.011 4.544 4.556 -0.001 0.000 0.324 411 H C 0.679 176.058 175.328 0.085 0.000 1.015 411 H CA 0.556 56.681 56.048 0.129 0.000 1.429 411 H CB -0.050 29.775 29.762 0.104 0.000 1.429 411 H HN 0.264 nan 8.280 nan 0.000 0.585 412 D N 2.371 122.385 120.400 -0.642 0.000 3.012 412 D HA -0.207 4.432 4.640 -0.001 0.000 0.222 412 D C -0.244 175.930 176.300 -0.210 0.000 1.167 412 D CA 1.360 55.085 54.000 -0.458 0.000 0.854 412 D CB -0.871 39.651 40.800 -0.464 0.000 1.107 412 D HN 0.752 nan 8.370 nan 0.000 0.421 413 T N -3.851 110.649 114.554 -0.090 0.000 2.938 413 T HA 0.408 4.757 4.350 -0.001 0.000 0.285 413 T C 1.061 175.737 174.700 -0.040 0.000 1.028 413 T CA -0.680 61.403 62.100 -0.028 0.000 1.005 413 T CB 0.912 69.851 68.868 0.120 0.000 1.157 413 T HN -0.043 nan 8.240 nan 0.000 0.550 414 Y N -0.578 119.681 120.300 -0.069 0.000 2.639 414 Y HA 0.035 4.584 4.550 -0.001 0.000 0.297 414 Y C 1.926 177.753 175.900 -0.122 0.000 1.151 414 Y CA 0.711 58.748 58.100 -0.106 0.000 1.335 414 Y CB -0.516 37.845 38.460 -0.165 0.000 0.994 414 Y HN 0.821 nan 8.280 nan 0.000 0.548 415 Y N -1.154 119.106 120.300 -0.067 0.000 2.314 415 Y HA -0.187 4.362 4.550 -0.001 0.000 0.293 415 Y C 2.093 177.864 175.900 -0.215 0.000 1.129 415 Y CA 1.227 59.198 58.100 -0.215 0.000 1.201 415 Y CB -0.173 38.069 38.460 -0.362 0.000 0.999 415 Y HN -0.097 nan 8.280 nan 0.000 0.541 416 V N -1.267 118.666 119.914 0.032 0.000 2.453 416 V HA -0.248 3.872 4.120 -0.001 0.000 0.247 416 V C 2.219 178.243 176.094 -0.117 0.000 1.048 416 V CA 1.498 63.841 62.300 0.073 0.000 1.049 416 V CB -0.594 31.337 31.823 0.180 0.000 0.672 416 V HN 0.281 nan 8.190 nan 0.000 0.457 417 V N 0.619 120.335 119.914 -0.331 0.000 2.287 417 V HA -0.284 3.836 4.120 -0.001 0.000 0.248 417 V C 2.759 178.404 176.094 -0.747 0.000 1.053 417 V CA 2.133 63.971 62.300 -0.769 0.000 1.027 417 V CB -1.286 30.215 31.823 -0.538 0.000 0.646 417 V HN 0.549 nan 8.190 nan 0.000 0.447 418 A N -0.027 122.485 122.820 -0.514 0.000 1.865 418 A HA -0.348 3.972 4.320 -0.001 0.000 0.217 418 A C 2.135 179.432 177.584 -0.479 0.000 1.191 418 A CA 2.588 54.280 52.037 -0.576 0.000 0.623 418 A CB -1.014 17.295 19.000 -1.151 0.000 0.826 418 A HN 0.800 nan 8.150 nan 0.000 0.444 419 H N 0.059 118.798 119.070 -0.552 0.000 2.289 419 H HA -0.239 4.316 4.556 -0.001 0.000 0.294 419 H C 1.619 176.789 175.328 -0.264 0.000 1.095 419 H CA 2.716 58.545 56.048 -0.365 0.000 1.256 419 H CB -0.656 28.925 29.762 -0.301 0.000 1.359 419 H HN 0.635 nan 8.280 nan 0.000 0.487 420 F N -1.485 118.132 119.950 -0.555 0.000 2.512 420 F HA 0.146 4.672 4.527 -0.001 0.000 0.296 420 F C 1.934 177.336 175.800 -0.662 0.000 1.110 420 F CA 0.745 58.340 58.000 -0.676 0.000 1.446 420 F CB -0.908 37.818 39.000 -0.457 0.000 1.092 420 F HN 0.162 nan 8.300 nan 0.000 0.554 421 H N -1.278 117.284 119.070 -0.848 0.000 2.428 421 H HA -0.031 4.524 4.556 -0.001 0.000 0.296 421 H C 1.603 176.438 175.328 -0.822 0.000 1.062 421 H CA 2.343 57.797 56.048 -0.989 0.000 1.350 421 H CB -0.442 28.162 29.762 -1.931 0.000 1.403 421 H HN 0.304 nan 8.280 nan 0.000 0.533 422 Y N -0.908 119.049 120.300 -0.572 0.000 2.109 422 Y HA -0.203 4.346 4.550 -0.001 0.000 0.285 422 Y C 2.649 178.290 175.900 -0.431 0.000 1.131 422 Y CA 1.339 59.175 58.100 -0.439 0.000 1.121 422 Y CB -0.345 37.892 38.460 -0.371 0.000 0.987 422 Y HN 0.053 nan 8.280 nan 0.000 0.495 423 V N -0.308 119.403 119.914 -0.338 0.000 2.591 423 V HA -0.196 3.924 4.120 -0.001 0.000 0.249 423 V C 1.710 177.657 176.094 -0.246 0.000 1.053 423 V CA 1.740 63.796 62.300 -0.406 0.000 1.068 423 V CB 0.113 31.572 31.823 -0.608 0.000 0.689 423 V HN 0.507 nan 8.190 nan 0.000 0.462 424 M N -1.842 117.586 119.600 -0.287 0.000 2.962 424 M HA 0.022 4.501 4.480 -0.001 0.000 0.242 424 M C 2.294 178.474 176.300 -0.201 0.000 1.396 424 M CA 1.457 56.623 55.300 -0.224 0.000 1.287 424 M CB 0.375 32.799 32.600 -0.293 0.000 1.168 424 M HN 0.310 nan 8.290 nan 0.000 0.557 425 S N 1.919 117.452 115.700 -0.278 0.000 2.354 425 S HA -0.153 4.316 4.470 -0.001 0.000 0.219 425 S C 1.844 176.366 174.600 -0.130 0.000 1.035 425 S CA 1.669 59.727 58.200 -0.237 0.000 1.037 425 S CB -0.851 62.160 63.200 -0.315 0.000 0.956 425 S HN 0.474 nan 8.310 nan 0.000 0.428 426 L N 1.182 122.297 121.223 -0.181 0.000 2.093 426 L HA -0.047 4.293 4.340 -0.001 0.000 0.208 426 L C 2.821 179.686 176.870 -0.008 0.000 1.085 426 L CA 1.055 55.842 54.840 -0.089 0.000 0.755 426 L CB -1.395 40.477 42.059 -0.312 0.000 0.904 426 L HN 0.452 nan 8.230 nan 0.000 0.435 427 G N 0.174 108.927 108.800 -0.078 0.000 2.514 427 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.217 427 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.217 427 G C 1.767 176.872 174.900 0.342 0.000 1.198 427 G CA 1.070 46.198 45.100 0.046 0.000 0.780 427 G HN 0.472 nan 8.290 nan 0.000 0.565 428 A N -0.360 122.556 122.820 0.161 0.000 1.902 428 A HA 0.086 4.405 4.320 -0.001 0.000 0.217 428 A C 2.622 180.250 177.584 0.073 0.000 1.181 428 A CA 1.958 54.060 52.037 0.109 0.000 0.623 428 A CB -0.646 18.344 19.000 -0.017 0.000 0.818 428 A HN 0.308 nan 8.150 nan 0.000 0.443 429 V N -1.440 118.507 119.914 0.055 0.000 2.453 429 V HA -0.171 3.948 4.120 -0.001 0.000 0.247 429 V C 2.265 178.295 176.094 -0.107 0.000 1.048 429 V CA 1.718 63.950 62.300 -0.114 0.000 1.049 429 V CB -0.824 30.963 31.823 -0.060 0.000 0.672 429 V HN 0.543 nan 8.190 nan 0.000 0.457 430 F N 1.302 121.276 119.950 0.040 0.000 2.186 430 F HA 0.018 4.545 4.527 -0.001 0.000 0.299 430 F C 2.374 178.242 175.800 0.113 0.000 1.090 430 F CA 1.230 59.370 58.000 0.233 0.000 1.307 430 F CB -1.335 37.967 39.000 0.504 0.000 1.019 430 F HN 0.191 nan 8.300 nan 0.000 0.489 431 G N 0.279 109.251 108.800 0.286 0.000 2.446 431 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.217 431 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.217 431 G C 1.867 176.746 174.900 -0.035 0.000 1.168 431 G CA 1.143 46.267 45.100 0.038 0.000 0.771 431 G HN 0.355 nan 8.290 nan 0.000 0.551 432 I N -0.238 120.302 120.570 -0.051 0.000 2.179 432 I HA -0.129 4.040 4.170 -0.001 0.000 0.242 432 I C 2.473 178.527 176.117 -0.105 0.000 1.088 432 I CA 0.861 62.142 61.300 -0.032 0.000 1.357 432 I CB -0.223 37.667 38.000 -0.184 0.000 1.051 432 I HN 0.041 nan 8.210 nan 0.000 0.409 433 F N 0.928 120.658 119.950 -0.366 0.000 2.146 433 F HA -0.142 4.384 4.527 -0.001 0.000 0.298 433 F C 2.623 178.128 175.800 -0.491 0.000 1.096 433 F CA 0.925 58.503 58.000 -0.702 0.000 1.275 433 F CB -1.408 36.498 39.000 -1.824 0.000 1.008 433 F HN 0.006 nan 8.300 nan 0.000 0.480 434 A N 0.478 123.166 122.820 -0.219 0.000 1.892 434 A HA -0.150 4.170 4.320 -0.001 0.000 0.218 434 A C 2.644 180.130 177.584 -0.164 0.000 1.188 434 A CA 2.139 54.120 52.037 -0.093 0.000 0.631 434 A CB -1.601 17.315 19.000 -0.139 0.000 0.822 434 A HN 0.407 nan 8.150 nan 0.000 0.447 435 G N -0.197 108.425 108.800 -0.297 0.000 2.459 435 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.217 435 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.217 435 G C 1.566 176.386 174.900 -0.134 0.000 1.183 435 G CA 1.156 45.898 45.100 -0.598 0.000 0.776 435 G HN 0.475 nan 8.290 nan 0.000 0.552 436 I N -0.689 119.999 120.570 0.195 0.000 2.208 436 I HA -0.206 3.964 4.170 -0.001 0.000 0.245 436 I C 2.499 178.723 176.117 0.178 0.000 1.097 436 I CA 1.202 62.691 61.300 0.317 0.000 1.363 436 I CB -0.176 37.976 38.000 0.254 0.000 1.051 436 I HN 0.178 nan 8.210 nan 0.000 0.413 437 Y N -1.059 119.359 120.300 0.197 0.000 2.337 437 Y HA -0.198 4.351 4.550 -0.001 0.000 0.293 437 Y C 2.176 178.413 175.900 0.562 0.000 1.123 437 Y CA 1.049 59.268 58.100 0.197 0.000 1.201 437 Y CB -0.428 37.991 38.460 -0.068 0.000 1.011 437 Y HN 0.074 nan 8.280 nan 0.000 0.545 438 F N -1.109 119.042 119.950 0.334 0.000 2.134 438 F HA -0.213 4.313 4.527 -0.001 0.000 0.299 438 F C 1.161 177.351 175.800 0.649 0.000 1.097 438 F CA 1.483 59.671 58.000 0.313 0.000 1.264 438 F CB -0.190 38.538 39.000 -0.454 0.000 1.001 438 F HN 0.047 nan 8.300 nan 0.000 0.479 439 W N -0.667 120.897 121.300 0.440 0.000 2.862 439 W HA 0.265 4.924 4.660 -0.001 0.000 0.376 439 W C 1.755 178.448 176.519 0.290 0.000 1.028 439 W CA -0.568 56.923 57.345 0.245 0.000 1.757 439 W CB -0.680 28.762 29.460 -0.031 0.000 1.128 439 W HN 0.033 nan 8.180 nan 0.000 0.566 440 I N 0.465 121.340 120.570 0.509 0.000 2.202 440 I HA -0.123 4.047 4.170 -0.001 0.000 0.242 440 I C 2.381 178.626 176.117 0.213 0.000 1.091 440 I CA 2.316 63.799 61.300 0.306 0.000 1.368 440 I CB -0.526 37.612 38.000 0.230 0.000 1.058 440 I HN -0.059 nan 8.210 nan 0.000 0.410 441 G N 0.562 109.465 108.800 0.172 0.000 2.440 441 G HA2 -0.364 3.596 3.960 -0.001 0.000 0.218 441 G HA3 -0.364 3.596 3.960 -0.001 0.000 0.218 441 G C 1.658 176.626 174.900 0.113 0.000 1.154 441 G CA 1.190 46.216 45.100 -0.123 0.000 0.767 441 G HN 0.276 nan 8.290 nan 0.000 0.552 442 K N 0.418 121.063 120.400 0.408 0.000 2.057 442 K HA 0.061 4.381 4.320 -0.001 0.000 0.207 442 K C 2.502 179.198 176.600 0.159 0.000 1.049 442 K CA 1.346 57.816 56.287 0.305 0.000 0.931 442 K CB -0.411 32.212 32.500 0.205 0.000 0.714 442 K HN 0.375 nan 8.250 nan 0.000 0.440 443 M N -0.371 119.298 119.600 0.115 0.000 2.349 443 M HA -0.036 4.444 4.480 -0.001 0.000 0.266 443 M C 1.709 178.048 176.300 0.065 0.000 1.076 443 M CA 1.519 56.828 55.300 0.014 0.000 1.126 443 M CB 0.094 32.596 32.600 -0.164 0.000 1.392 443 M HN 0.282 nan 8.290 nan 0.000 0.440 444 S N -1.810 113.926 115.700 0.059 0.000 2.554 444 S HA 0.345 4.815 4.470 -0.001 0.000 0.227 444 S C 1.542 176.145 174.600 0.005 0.000 1.050 444 S CA 0.404 58.624 58.200 0.034 0.000 0.927 444 S CB 0.600 63.818 63.200 0.031 0.000 0.859 444 S HN 0.550 nan 8.310 nan 0.000 0.494 445 G N 1.543 110.342 108.800 -0.000 0.000 2.162 445 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.260 445 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.260 445 G C 0.040 174.894 174.900 -0.077 0.000 0.976 445 G CA 0.267 45.348 45.100 -0.032 0.000 0.655 445 G HN 0.632 nan 8.290 nan 0.000 0.533 446 R N -0.664 119.788 120.500 -0.080 0.000 2.670 446 R HA 0.631 4.971 4.340 -0.001 0.000 0.289 446 R C -0.659 175.575 176.300 -0.111 0.000 0.965 446 R CA -0.892 55.149 56.100 -0.099 0.000 0.899 446 R CB 1.454 31.704 30.300 -0.083 0.000 1.173 446 R HN 0.140 nan 8.270 nan 0.000 0.456 447 Q N 1.820 121.539 119.800 -0.135 0.000 2.274 447 Q HA 0.216 4.556 4.340 -0.001 0.000 0.260 447 Q C -1.384 174.597 176.000 -0.032 0.000 0.974 447 Q CA -0.737 54.962 55.803 -0.173 0.000 0.876 447 Q CB 1.047 29.597 28.738 -0.313 0.000 1.297 447 Q HN 0.490 nan 8.270 nan 0.000 0.446 448 Y N 1.483 121.830 120.300 0.079 0.000 2.397 448 Y HA 0.612 5.162 4.550 -0.001 0.000 0.335 448 Y C -2.143 173.841 175.900 0.141 0.000 1.213 448 Y CA -2.571 55.615 58.100 0.144 0.000 1.391 448 Y CB -0.063 38.546 38.460 0.249 0.000 1.293 448 Y HN 0.476 nan 8.280 nan 0.000 0.557 449 P HA 0.049 nan 4.420 nan 0.000 0.271 449 P C 0.139 177.523 177.300 0.139 0.000 1.233 449 P CA 0.042 63.201 63.100 0.098 0.000 0.764 449 P CB 1.285 32.941 31.700 -0.073 0.000 0.825 450 E N 4.739 125.028 120.200 0.148 0.000 2.097 450 E HA -0.192 4.157 4.350 -0.001 0.000 0.196 450 E C 1.419 178.168 176.600 0.248 0.000 1.000 450 E CA 1.651 58.212 56.400 0.269 0.000 0.804 450 E CB -0.596 29.221 29.700 0.194 0.000 0.740 450 E HN 0.624 nan 8.360 nan 0.000 0.454 451 W N -0.014 121.400 121.300 0.190 0.000 2.363 451 W HA -0.039 4.620 4.660 -0.001 0.000 0.296 451 W C 1.711 178.364 176.519 0.224 0.000 1.212 451 W CA 1.235 58.681 57.345 0.167 0.000 1.260 451 W CB -1.023 28.511 29.460 0.124 0.000 1.131 451 W HN 0.174 nan 8.180 nan 0.000 0.530 452 A N 1.722 123.981 122.820 -0.935 0.000 2.021 452 A HA 0.177 4.497 4.320 -0.001 0.000 0.216 452 A C 2.382 179.913 177.584 -0.087 0.000 1.163 452 A CA 1.538 53.048 52.037 -0.878 0.000 0.676 452 A CB -1.364 16.823 19.000 -1.356 0.000 0.818 452 A HN 0.359 nan 8.150 nan 0.000 0.453 453 G N -0.099 108.683 108.800 -0.030 0.000 2.422 453 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.218 453 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.218 453 G C 1.645 176.433 174.900 -0.186 0.000 1.140 453 G CA 1.027 46.024 45.100 -0.173 0.000 0.775 453 G HN 0.548 nan 8.290 nan 0.000 0.545 454 K N -0.760 119.614 120.400 -0.043 0.000 2.116 454 K HA 0.140 4.459 4.320 -0.001 0.000 0.203 454 K C 2.283 178.984 176.600 0.167 0.000 1.052 454 K CA 0.375 56.662 56.287 0.001 0.000 0.952 454 K CB -0.168 32.412 32.500 0.133 0.000 0.729 454 K HN 0.225 nan 8.250 nan 0.000 0.446 455 L N 1.002 122.354 121.223 0.215 0.000 2.056 455 L HA -0.172 4.167 4.340 -0.001 0.000 0.207 455 L C 2.327 179.292 176.870 0.158 0.000 1.078 455 L CA 1.763 56.726 54.840 0.205 0.000 0.749 455 L CB -0.576 41.573 42.059 0.150 0.000 0.901 455 L HN 0.302 nan 8.230 nan 0.000 0.433 456 H N -1.644 117.513 119.070 0.145 0.000 2.353 456 H HA -0.289 4.266 4.556 -0.001 0.000 0.298 456 H C 2.161 177.527 175.328 0.062 0.000 1.103 456 H CA 2.119 58.291 56.048 0.206 0.000 1.293 456 H CB -0.191 29.786 29.762 0.358 0.000 1.372 456 H HN 0.436 nan 8.280 nan 0.000 0.501 457 F N 0.509 120.151 119.950 -0.515 0.000 2.046 457 F HA -0.226 4.300 4.527 -0.001 0.000 0.297 457 F C 1.966 177.355 175.800 -0.686 0.000 1.123 457 F CA 1.955 59.225 58.000 -1.215 0.000 1.199 457 F CB -0.887 37.116 39.000 -1.662 0.000 0.972 457 F HN 0.164 nan 8.300 nan 0.000 0.474 458 W N 0.238 121.348 121.300 -0.317 0.000 2.363 458 W HA -0.176 4.484 4.660 -0.001 0.000 0.296 458 W C 2.550 178.974 176.519 -0.158 0.000 1.212 458 W CA 1.141 58.335 57.345 -0.253 0.000 1.260 458 W CB -0.483 28.952 29.460 -0.043 0.000 1.131 458 W HN 0.040 nan 8.180 nan 0.000 0.530 459 M N -0.872 118.787 119.600 0.099 0.000 2.065 459 M HA -0.255 4.224 4.480 -0.001 0.000 0.259 459 M C 2.286 178.638 176.300 0.086 0.000 1.069 459 M CA 1.753 57.107 55.300 0.091 0.000 1.110 459 M CB -0.697 31.952 32.600 0.082 0.000 1.328 459 M HN 0.050 nan 8.290 nan 0.000 0.405 460 M N -0.054 119.579 119.600 0.055 0.000 2.117 460 M HA -0.184 4.295 4.480 -0.001 0.000 0.262 460 M C 1.893 178.272 176.300 0.131 0.000 1.065 460 M CA 1.848 57.228 55.300 0.133 0.000 1.114 460 M CB -0.529 32.182 32.600 0.185 0.000 1.361 460 M HN 0.197 nan 8.290 nan 0.000 0.408 461 F N -0.610 119.180 119.950 -0.266 0.000 2.134 461 F HA -0.180 4.346 4.527 -0.001 0.000 0.299 461 F C 1.815 177.593 175.800 -0.037 0.000 1.097 461 F CA 1.644 59.515 58.000 -0.215 0.000 1.264 461 F CB -0.173 38.361 39.000 -0.776 0.000 1.001 461 F HN -0.037 nan 8.300 nan 0.000 0.479 462 V N 0.057 119.995 119.914 0.040 0.000 2.307 462 V HA -0.199 3.921 4.120 -0.001 0.000 0.245 462 V C 2.717 178.786 176.094 -0.041 0.000 1.045 462 V CA 1.870 64.168 62.300 -0.002 0.000 1.024 462 V CB -1.516 30.362 31.823 0.092 0.000 0.651 462 V HN 0.532 nan 8.190 nan 0.000 0.449 463 G N -0.198 108.607 108.800 0.008 0.000 2.446 463 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.217 463 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.217 463 G C 1.794 176.657 174.900 -0.061 0.000 1.168 463 G CA 1.191 46.289 45.100 -0.002 0.000 0.771 463 G HN 0.601 nan 8.290 nan 0.000 0.551 464 A N 1.172 123.982 122.820 -0.016 0.000 1.883 464 A HA -0.127 4.192 4.320 -0.001 0.000 0.217 464 A C 2.298 179.813 177.584 -0.115 0.000 1.186 464 A CA 1.893 53.921 52.037 -0.015 0.000 0.624 464 A CB -0.518 18.535 19.000 0.087 0.000 0.822 464 A HN 0.384 nan 8.150 nan 0.000 0.444 465 N N -0.064 118.546 118.700 -0.150 0.000 2.142 465 N HA -0.070 4.670 4.740 -0.001 0.000 0.186 465 N C 1.704 177.208 175.510 -0.010 0.000 1.023 465 N CA 1.248 54.269 53.050 -0.048 0.000 0.852 465 N CB -0.359 38.045 38.487 -0.138 0.000 0.998 465 N HN 0.479 nan 8.380 nan 0.000 0.424 466 L N 0.877 122.056 121.223 -0.073 0.000 2.191 466 L HA -0.124 4.216 4.340 -0.001 0.000 0.212 466 L C 2.081 178.860 176.870 -0.152 0.000 1.103 466 L CA 0.922 55.727 54.840 -0.058 0.000 0.769 466 L CB -0.411 41.615 42.059 -0.055 0.000 0.908 466 L HN 0.180 nan 8.230 nan 0.000 0.438 467 T N -0.945 113.418 114.554 -0.318 0.000 2.770 467 T HA -0.065 4.285 4.350 -0.001 0.000 0.258 467 T C 1.332 175.620 174.700 -0.686 0.000 1.039 467 T CA 1.281 62.989 62.100 -0.654 0.000 1.143 467 T CB -0.147 68.039 68.868 -1.136 0.000 0.866 467 T HN 0.124 nan 8.240 nan 0.000 0.428 468 F N -0.680 119.137 119.950 -0.223 0.000 2.678 468 F HA 0.417 4.943 4.527 -0.001 0.000 0.291 468 F C 1.652 177.362 175.800 -0.150 0.000 1.123 468 F CA -1.156 56.678 58.000 -0.278 0.000 1.395 468 F CB -0.492 38.221 39.000 -0.477 0.000 1.121 468 F HN 0.038 nan 8.300 nan 0.000 0.592 469 F N 2.393 122.388 119.950 0.076 0.000 2.134 469 F HA -0.054 4.472 4.527 -0.001 0.000 0.299 469 F C -0.736 174.799 175.800 -0.443 0.000 1.097 469 F CA 1.324 59.322 58.000 -0.004 0.000 1.264 469 F CB -1.394 37.594 39.000 -0.019 0.000 1.001 469 F HN -0.138 nan 8.300 nan 0.000 0.479 470 P HA -0.160 nan 4.420 nan 0.000 0.225 470 P C 0.915 177.958 177.300 -0.428 0.000 1.148 470 P CA 1.412 64.203 63.100 -0.516 0.000 0.779 470 P CB -0.177 31.541 31.700 0.029 0.000 0.780 471 Q N -1.829 117.755 119.800 -0.360 0.000 2.369 471 Q HA -0.149 4.191 4.340 -0.001 0.000 0.206 471 Q C 1.610 177.410 176.000 -0.333 0.000 0.963 471 Q CA 0.874 56.514 55.803 -0.271 0.000 0.894 471 Q CB -0.580 28.072 28.738 -0.144 0.000 0.965 471 Q HN 0.528 nan 8.270 nan 0.000 0.475 472 H N -0.699 118.065 119.070 -0.510 0.000 2.326 472 H HA -0.128 4.427 4.556 -0.001 0.000 0.301 472 H C 1.418 176.669 175.328 -0.128 0.000 1.081 472 H CA 1.500 57.263 56.048 -0.475 0.000 1.334 472 H CB 0.041 29.261 29.762 -0.903 0.000 1.385 472 H HN 0.180 nan 8.280 nan 0.000 0.504 473 F N 0.524 120.404 119.950 -0.116 0.000 2.095 473 F HA -0.159 4.368 4.527 -0.001 0.000 0.298 473 F C 2.246 178.099 175.800 0.089 0.000 1.104 473 F CA 0.969 58.902 58.000 -0.112 0.000 1.232 473 F CB -1.062 37.615 39.000 -0.537 0.000 0.987 473 F HN 0.091 nan 8.300 nan 0.000 0.475 474 L N -0.489 120.883 121.223 0.249 0.000 2.083 474 L HA -0.135 4.204 4.340 -0.001 0.000 0.209 474 L C 2.760 179.751 176.870 0.203 0.000 1.083 474 L CA 1.398 56.360 54.840 0.204 0.000 0.752 474 L CB -1.430 40.585 42.059 -0.073 0.000 0.899 474 L HN 0.258 nan 8.230 nan 0.000 0.433 475 G N -0.148 108.794 108.800 0.237 0.000 2.421 475 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.216 475 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.216 475 G C 1.724 176.926 174.900 0.504 0.000 1.171 475 G CA 0.390 45.695 45.100 0.342 0.000 0.775 475 G HN 0.273 nan 8.290 nan 0.000 0.543 476 R N -0.234 120.571 120.500 0.508 0.000 2.193 476 R HA 0.025 4.364 4.340 -0.001 0.000 0.229 476 R C 2.386 178.972 176.300 0.477 0.000 1.110 476 R CA 0.898 57.297 56.100 0.498 0.000 0.988 476 R CB -0.018 30.490 30.300 0.347 0.000 0.871 476 R HN 0.279 nan 8.270 nan 0.000 0.458 477 Q N -0.766 119.313 119.800 0.465 0.000 2.360 477 Q HA 0.095 4.435 4.340 -0.001 0.000 0.202 477 Q C 0.710 177.038 176.000 0.548 0.000 0.915 477 Q CA 0.801 56.891 55.803 0.478 0.000 0.943 477 Q CB 1.449 30.499 28.738 0.520 0.000 1.064 477 Q HN 0.552 nan 8.270 nan 0.000 0.511 478 G N 1.480 110.533 108.800 0.421 0.000 2.131 478 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.201 478 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.201 478 G C 0.048 174.983 174.900 0.058 0.000 1.000 478 G CA 0.154 45.367 45.100 0.189 0.000 0.680 478 G HN 0.304 nan 8.290 nan 0.000 0.514 479 M N 1.607 121.072 119.600 -0.225 0.000 2.292 479 M HA 0.319 4.798 4.480 -0.001 0.000 0.342 479 M C -1.987 174.127 176.300 -0.310 0.000 1.538 479 M CA -1.431 53.447 55.300 -0.703 0.000 1.163 479 M CB 0.531 32.453 32.600 -1.129 0.000 1.823 479 M HN -0.007 nan 8.290 nan 0.000 0.462 480 P HA 0.123 nan 4.420 nan 0.000 0.272 480 P C -0.981 176.087 177.300 -0.387 0.000 1.223 480 P CA -0.008 62.782 63.100 -0.517 0.000 0.784 480 P CB 0.497 31.597 31.700 -1.001 0.000 0.923 481 R N 1.564 121.894 120.500 -0.283 0.000 2.707 481 R HA 0.274 4.613 4.340 -0.001 0.000 0.270 481 R C 0.484 176.803 176.300 0.031 0.000 1.083 481 R CA -0.219 55.759 56.100 -0.204 0.000 1.182 481 R CB -0.021 30.170 30.300 -0.182 0.000 1.084 481 R HN 0.402 nan 8.270 nan 0.000 0.528 482 R N -0.507 120.143 120.500 0.250 0.000 3.656 482 R HA -0.185 4.154 4.340 -0.001 0.000 0.297 482 R C -1.272 175.394 176.300 0.609 0.000 1.166 482 R CA 0.656 57.044 56.100 0.481 0.000 0.799 482 R CB -1.629 28.861 30.300 0.317 0.000 1.285 482 R HN 0.394 nan 8.270 nan 0.000 0.477 483 Y N -0.290 120.097 120.300 0.145 0.000 2.331 483 Y HA 0.280 4.829 4.550 -0.001 0.000 0.338 483 Y C 1.457 176.850 175.900 -0.845 0.000 0.992 483 Y CA -1.621 56.368 58.100 -0.184 0.000 1.121 483 Y CB 0.991 39.416 38.460 -0.059 0.000 1.184 483 Y HN 0.067 nan 8.280 nan 0.000 0.469 484 I N 0.978 121.009 120.570 -0.898 0.000 2.315 484 I HA -0.139 4.030 4.170 -0.001 0.000 0.248 484 I C 0.162 175.888 176.117 -0.652 0.000 1.117 484 I CA 1.560 62.172 61.300 -1.147 0.000 1.404 484 I CB 0.320 38.030 38.000 -0.483 0.000 1.071 484 I HN 0.560 nan 8.210 nan 0.000 0.419 485 D N -1.750 118.427 120.400 -0.371 0.000 2.531 485 D HA 0.408 5.047 4.640 -0.001 0.000 0.244 485 D C -1.573 174.715 176.300 -0.020 0.000 1.090 485 D CA -0.358 53.478 54.000 -0.274 0.000 0.989 485 D CB 1.610 42.246 40.800 -0.273 0.000 1.433 485 D HN 0.122 nan 8.370 nan 0.000 0.492 486 Y N -2.504 117.814 120.300 0.029 0.000 2.592 486 Y HA 0.622 5.171 4.550 -0.001 0.000 0.334 486 Y C -2.813 173.222 175.900 0.224 0.000 1.136 486 Y CA -2.323 55.885 58.100 0.180 0.000 1.042 486 Y CB 0.220 38.766 38.460 0.143 0.000 1.325 486 Y HN 0.093 nan 8.280 nan 0.000 0.457 487 P HA -0.035 nan 4.420 nan 0.000 0.263 487 P C 0.704 178.175 177.300 0.285 0.000 1.175 487 P CA 0.515 63.793 63.100 0.296 0.000 0.761 487 P CB 0.928 32.768 31.700 0.232 0.000 0.794 488 E N 3.938 124.198 120.200 0.100 0.000 2.197 488 E HA -0.300 4.049 4.350 -0.001 0.000 0.205 488 E C 1.695 178.337 176.600 0.069 0.000 1.029 488 E CA 2.249 58.690 56.400 0.068 0.000 0.828 488 E CB -0.694 29.005 29.700 -0.002 0.000 0.737 488 E HN 0.500 nan 8.360 nan 0.000 0.464 489 A N -0.876 121.911 122.820 -0.054 0.000 2.121 489 A HA -0.037 4.282 4.320 -0.001 0.000 0.218 489 A C 1.423 178.920 177.584 -0.144 0.000 1.154 489 A CA 0.798 52.737 52.037 -0.163 0.000 0.679 489 A CB -0.562 18.259 19.000 -0.298 0.000 0.795 489 A HN 0.330 nan 8.150 nan 0.000 0.458 490 F N -0.376 119.655 119.950 0.136 0.000 2.797 490 F HA 0.272 4.798 4.527 -0.001 0.000 0.302 490 F C 2.250 178.039 175.800 -0.018 0.000 1.130 490 F CA -0.202 57.812 58.000 0.024 0.000 1.387 490 F CB -0.537 38.383 39.000 -0.133 0.000 1.107 490 F HN 0.257 nan 8.300 nan 0.000 0.577 491 A N 0.169 123.148 122.820 0.266 0.000 1.851 491 A HA -0.209 4.110 4.320 -0.001 0.000 0.216 491 A C 2.378 180.016 177.584 0.090 0.000 1.195 491 A CA 2.540 54.717 52.037 0.233 0.000 0.622 491 A CB -1.238 17.843 19.000 0.134 0.000 0.831 491 A HN 0.310 nan 8.150 nan 0.000 0.444 492 T N -1.025 113.486 114.554 -0.071 0.000 2.607 492 T HA -0.264 4.085 4.350 -0.001 0.000 0.267 492 T C 1.568 176.166 174.700 -0.169 0.000 1.049 492 T CA 1.861 63.806 62.100 -0.259 0.000 1.162 492 T CB -0.511 67.988 68.868 -0.614 0.000 0.863 492 T HN 0.727 nan 8.240 nan 0.000 0.424 493 W N 1.592 122.968 121.300 0.128 0.000 2.467 493 W HA 0.065 4.724 4.660 -0.001 0.000 0.275 493 W C 2.555 179.072 176.519 -0.002 0.000 1.239 493 W CA -0.367 57.049 57.345 0.117 0.000 1.266 493 W CB -0.327 29.248 29.460 0.193 0.000 1.112 493 W HN 0.206 nan 8.180 nan 0.000 0.576 494 N N 0.218 118.991 118.700 0.121 0.000 2.188 494 N HA -0.180 4.560 4.740 -0.001 0.000 0.184 494 N C 1.517 177.052 175.510 0.040 0.000 1.018 494 N CA 1.322 54.341 53.050 -0.053 0.000 0.858 494 N CB -0.660 37.685 38.487 -0.238 0.000 0.989 494 N HN 0.126 nan 8.380 nan 0.000 0.426 495 F N 1.943 121.887 119.950 -0.011 0.000 2.102 495 F HA -0.148 4.378 4.527 -0.001 0.000 0.298 495 F C 2.247 178.031 175.800 -0.027 0.000 1.105 495 F CA 0.989 58.984 58.000 -0.008 0.000 1.239 495 F CB -0.430 38.567 39.000 -0.005 0.000 0.991 495 F HN -0.245 nan 8.300 nan 0.000 0.474 496 V N -0.679 119.288 119.914 0.089 0.000 2.295 496 V HA -0.303 3.817 4.120 -0.001 0.000 0.246 496 V C 2.638 178.667 176.094 -0.108 0.000 1.049 496 V CA 2.004 64.326 62.300 0.037 0.000 1.024 496 V CB -1.216 30.802 31.823 0.325 0.000 0.648 496 V HN 0.505 nan 8.190 nan 0.000 0.447 497 S N -0.390 115.254 115.700 -0.093 0.000 2.387 497 S HA -0.254 4.216 4.470 -0.001 0.000 0.230 497 S C 2.214 176.554 174.600 -0.433 0.000 1.035 497 S CA 2.291 60.334 58.200 -0.262 0.000 1.014 497 S CB -0.322 62.719 63.200 -0.265 0.000 0.836 497 S HN 0.614 nan 8.310 nan 0.000 0.466 498 S N 1.076 116.488 115.700 -0.480 0.000 2.357 498 S HA 0.114 4.583 4.470 -0.001 0.000 0.221 498 S C 1.784 175.710 174.600 -1.122 0.000 1.031 498 S CA 1.166 58.877 58.200 -0.814 0.000 0.982 498 S CB -0.435 62.369 63.200 -0.659 0.000 0.853 498 S HN 0.476 nan 8.310 nan 0.000 0.458 499 L N 1.027 121.835 121.223 -0.693 0.000 2.012 499 L HA -0.128 4.212 4.340 -0.001 0.000 0.210 499 L C 2.783 179.499 176.870 -0.256 0.000 1.073 499 L CA 1.347 55.965 54.840 -0.371 0.000 0.748 499 L CB -1.311 40.579 42.059 -0.281 0.000 0.891 499 L HN 0.427 nan 8.230 nan 0.000 0.431 500 G N -0.295 108.338 108.800 -0.278 0.000 2.469 500 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.219 500 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.219 500 G C 1.673 176.430 174.900 -0.238 0.000 1.150 500 G CA 0.966 45.931 45.100 -0.225 0.000 0.763 500 G HN 0.508 nan 8.290 nan 0.000 0.561 501 A N -0.276 122.306 122.820 -0.398 0.000 2.067 501 A HA 0.323 4.642 4.320 -0.001 0.000 0.217 501 A C 2.057 179.610 177.584 -0.051 0.000 1.156 501 A CA 0.935 52.786 52.037 -0.310 0.000 0.683 501 A CB -0.296 18.432 19.000 -0.455 0.000 0.808 501 A HN 0.243 nan 8.150 nan 0.000 0.455 502 F N -0.604 119.325 119.950 -0.035 0.000 2.128 502 F HA -0.030 4.496 4.527 -0.001 0.000 0.295 502 F C 1.989 177.862 175.800 0.122 0.000 1.100 502 F CA 0.663 58.691 58.000 0.046 0.000 1.260 502 F CB -1.119 37.875 39.000 -0.009 0.000 1.009 502 F HN 0.253 nan 8.300 nan 0.000 0.476 503 L N -0.115 121.252 121.223 0.241 0.000 2.042 503 L HA -0.191 4.148 4.340 -0.001 0.000 0.210 503 L C 2.328 179.322 176.870 0.207 0.000 1.076 503 L CA 1.796 56.744 54.840 0.179 0.000 0.749 503 L CB -1.206 40.912 42.059 0.098 0.000 0.893 503 L HN -0.001 nan 8.230 nan 0.000 0.432 504 S N -0.956 114.860 115.700 0.193 0.000 2.399 504 S HA -0.173 4.297 4.470 -0.001 0.000 0.231 504 S C 1.738 176.563 174.600 0.375 0.000 1.022 504 S CA 1.452 59.798 58.200 0.243 0.000 0.983 504 S CB -0.575 62.722 63.200 0.161 0.000 0.803 504 S HN 0.538 nan 8.310 nan 0.000 0.480 505 F N 2.382 122.467 119.950 0.226 0.000 2.163 505 F HA 0.103 4.629 4.527 -0.001 0.000 0.297 505 F C 2.331 178.324 175.800 0.321 0.000 1.094 505 F CA 0.579 58.748 58.000 0.281 0.000 1.290 505 F CB -0.960 38.187 39.000 0.245 0.000 1.017 505 F HN 0.157 nan 8.300 nan 0.000 0.483 506 A N -0.041 122.940 122.820 0.269 0.000 1.892 506 A HA -0.298 4.022 4.320 -0.001 0.000 0.218 506 A C 2.422 180.124 177.584 0.196 0.000 1.188 506 A CA 2.710 54.846 52.037 0.165 0.000 0.631 506 A CB -1.614 17.492 19.000 0.176 0.000 0.822 506 A HN 0.519 nan 8.150 nan 0.000 0.447 507 S N -1.752 114.103 115.700 0.259 0.000 2.399 507 S HA -0.166 4.303 4.470 -0.001 0.000 0.231 507 S C 1.765 176.634 174.600 0.449 0.000 1.022 507 S CA 1.608 60.020 58.200 0.353 0.000 0.983 507 S CB -0.560 62.857 63.200 0.361 0.000 0.803 507 S HN 0.549 nan 8.310 nan 0.000 0.480 508 F N 1.565 121.648 119.950 0.222 0.000 2.335 508 F HA 0.360 4.886 4.527 -0.001 0.000 0.296 508 F C 1.819 177.690 175.800 0.118 0.000 1.091 508 F CA 0.359 58.493 58.000 0.224 0.000 1.399 508 F CB -0.196 38.948 39.000 0.240 0.000 1.067 508 F HN 0.144 nan 8.300 nan 0.000 0.520 509 L N -1.060 120.142 121.223 -0.034 0.000 1.994 509 L HA -0.220 4.119 4.340 -0.001 0.000 0.208 509 L C 2.395 179.223 176.870 -0.070 0.000 1.071 509 L CA 1.574 56.323 54.840 -0.152 0.000 0.745 509 L CB -0.988 40.961 42.059 -0.183 0.000 0.892 509 L HN 0.153 nan 8.230 nan 0.000 0.431 510 F N 0.512 120.414 119.950 -0.079 0.000 2.087 510 F HA -0.363 4.163 4.527 -0.001 0.000 0.299 510 F C 2.413 178.124 175.800 -0.148 0.000 1.100 510 F CA 1.828 59.793 58.000 -0.059 0.000 1.226 510 F CB -0.443 38.575 39.000 0.029 0.000 0.983 510 F HN 0.032 nan 8.300 nan 0.000 0.479 511 F N 0.602 120.374 119.950 -0.296 0.000 2.126 511 F HA -0.228 4.298 4.527 -0.001 0.000 0.299 511 F C 1.896 177.400 175.800 -0.494 0.000 1.096 511 F CA 1.831 59.450 58.000 -0.635 0.000 1.255 511 F CB -0.772 37.593 39.000 -1.059 0.000 0.997 511 F HN -0.017 nan 8.300 nan 0.000 0.479 512 L N 0.072 120.888 121.223 -0.678 0.000 2.131 512 L HA -0.137 4.202 4.340 -0.001 0.000 0.210 512 L C 2.774 179.397 176.870 -0.412 0.000 1.092 512 L CA 1.251 55.719 54.840 -0.620 0.000 0.759 512 L CB -1.466 40.351 42.059 -0.404 0.000 0.903 512 L HN 0.385 nan 8.230 nan 0.000 0.435 513 G N -0.818 107.760 108.800 -0.371 0.000 2.422 513 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.218 513 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.218 513 G C 1.565 176.308 174.900 -0.262 0.000 1.140 513 G CA 0.691 45.631 45.100 -0.267 0.000 0.775 513 G HN 0.190 nan 8.290 nan 0.000 0.545 514 V N 1.466 121.100 119.914 -0.467 0.000 2.323 514 V HA -0.067 4.052 4.120 -0.001 0.000 0.244 514 V C 2.756 178.713 176.094 -0.228 0.000 1.041 514 V CA 0.859 62.939 62.300 -0.366 0.000 1.025 514 V CB -0.271 31.318 31.823 -0.389 0.000 0.656 514 V HN 0.255 nan 8.190 nan 0.000 0.451 515 I N -0.402 119.905 120.570 -0.439 0.000 2.264 515 I HA -0.268 3.901 4.170 -0.001 0.000 0.248 515 I C 2.363 178.439 176.117 -0.068 0.000 1.111 515 I CA 2.031 63.144 61.300 -0.312 0.000 1.382 515 I CB -1.026 36.676 38.000 -0.497 0.000 1.060 515 I HN 0.338 nan 8.210 nan 0.000 0.418 516 F N 1.274 121.123 119.950 -0.169 0.000 2.051 516 F HA -0.300 4.226 4.527 -0.001 0.000 0.296 516 F C 2.803 178.588 175.800 -0.025 0.000 1.122 516 F CA 1.695 59.647 58.000 -0.079 0.000 1.201 516 F CB -0.972 37.978 39.000 -0.083 0.000 0.978 516 F HN 0.033 nan 8.300 nan 0.000 0.472 517 Y N 0.768 121.037 120.300 -0.050 0.000 2.207 517 Y HA -0.277 4.272 4.550 -0.001 0.000 0.287 517 Y C 2.379 178.201 175.900 -0.130 0.000 1.156 517 Y CA 2.368 60.408 58.100 -0.099 0.000 1.182 517 Y CB -0.800 37.647 38.460 -0.023 0.000 0.979 517 Y HN 0.083 nan 8.280 nan 0.000 0.521 518 T N 0.951 115.544 114.554 0.066 0.000 2.737 518 T HA -0.155 4.194 4.350 -0.001 0.000 0.265 518 T C 1.654 176.278 174.700 -0.126 0.000 1.038 518 T CA 1.779 63.890 62.100 0.019 0.000 1.144 518 T CB -0.451 68.468 68.868 0.084 0.000 0.866 518 T HN 0.310 nan 8.240 nan 0.000 0.434 519 L N 0.684 121.816 121.223 -0.153 0.000 2.650 519 L HA 0.100 4.439 4.340 -0.001 0.000 0.235 519 L C 2.057 178.764 176.870 -0.271 0.000 1.149 519 L CA 0.597 55.340 54.840 -0.163 0.000 0.887 519 L CB -0.350 41.657 42.059 -0.088 0.000 1.021 519 L HN 0.268 nan 8.230 nan 0.000 0.441 520 T N -1.568 112.755 114.554 -0.385 0.000 3.174 520 T HA 0.142 4.491 4.350 -0.001 0.000 0.252 520 T C 1.822 176.289 174.700 -0.388 0.000 0.984 520 T CA 0.810 62.650 62.100 -0.433 0.000 1.113 520 T CB 0.452 68.929 68.868 -0.652 0.000 1.088 520 T HN 0.295 nan 8.240 nan 0.000 0.442 521 R N 1.182 121.351 120.500 -0.551 0.000 2.549 521 R HA 0.629 4.968 4.340 -0.001 0.000 0.361 521 R C 0.796 176.758 176.300 -0.563 0.000 0.969 521 R CA 0.213 55.979 56.100 -0.557 0.000 1.158 521 R CB -0.263 29.647 30.300 -0.651 0.000 1.456 521 R HN 0.385 nan 8.270 nan 0.000 0.540 522 G N 0.597 109.124 108.800 -0.455 0.000 2.380 522 G HA2 0.510 4.470 3.960 -0.001 0.000 0.262 522 G HA3 0.510 4.470 3.960 -0.001 0.000 0.262 522 G C 0.600 175.440 174.900 -0.100 0.000 1.243 522 G CA 0.299 45.298 45.100 -0.168 0.000 0.865 522 G HN 1.003 nan 8.290 nan 0.000 0.513 523 A N 1.534 124.334 122.820 -0.034 0.000 2.608 523 A HA 0.464 4.784 4.320 -0.001 0.000 0.239 523 A C 1.325 178.858 177.584 -0.085 0.000 1.018 523 A CA 0.866 52.874 52.037 -0.048 0.000 0.766 523 A CB -0.380 18.603 19.000 -0.029 0.000 0.928 523 A HN 1.633 nan 8.150 nan 0.000 0.512 524 R N 1.694 122.147 120.500 -0.077 0.000 2.738 524 R HA 0.484 4.824 4.340 -0.001 0.000 0.268 524 R C -0.116 176.126 176.300 -0.097 0.000 1.062 524 R CA 0.381 56.432 56.100 -0.082 0.000 1.158 524 R CB -0.028 30.236 30.300 -0.060 0.000 1.046 524 R HN 1.113 nan 8.270 nan 0.000 0.493 525 V N 2.008 121.861 119.914 -0.103 0.000 2.394 525 V HA 0.261 4.381 4.120 -0.001 0.000 0.282 525 V C 0.942 177.010 176.094 -0.042 0.000 1.031 525 V CA -0.024 62.203 62.300 -0.122 0.000 0.881 525 V CB 1.561 33.266 31.823 -0.198 0.000 0.982 525 V HN 1.081 nan 8.190 nan 0.000 0.451 526 T N 2.904 117.446 114.554 -0.020 0.000 2.818 526 T HA 0.178 4.527 4.350 -0.001 0.000 0.246 526 T C 0.971 175.702 174.700 0.051 0.000 1.036 526 T CA 0.835 62.942 62.100 0.012 0.000 1.160 526 T CB 0.055 68.928 68.868 0.010 0.000 0.869 526 T HN 0.762 nan 8.240 nan 0.000 0.419 527 A N 1.844 124.714 122.820 0.083 0.000 2.386 527 A HA 0.336 4.655 4.320 -0.001 0.000 0.248 527 A C 1.049 178.738 177.584 0.176 0.000 1.082 527 A CA -0.513 51.593 52.037 0.114 0.000 0.789 527 A CB 0.075 19.138 19.000 0.105 0.000 1.025 527 A HN 0.289 nan 8.150 nan 0.000 0.490 528 N N 0.552 119.342 118.700 0.151 0.000 2.309 528 N HA -0.074 4.666 4.740 -0.001 0.000 0.182 528 N C -0.005 175.674 175.510 0.281 0.000 1.018 528 N CA 1.209 54.373 53.050 0.189 0.000 0.876 528 N CB -0.054 38.518 38.487 0.143 0.000 0.972 528 N HN 0.640 nan 8.380 nan 0.000 0.434 529 N N 0.037 118.850 118.700 0.188 0.000 2.648 529 N HA 0.014 4.753 4.740 -0.001 0.000 0.261 529 N C -0.717 174.718 175.510 -0.124 0.000 1.138 529 N CA -0.458 52.625 53.050 0.055 0.000 0.804 529 N CB 0.149 38.649 38.487 0.023 0.000 1.237 529 N HN 0.119 nan 8.380 nan 0.000 0.532 530 Y N 0.679 120.873 120.300 -0.177 0.000 2.462 530 Y HA 0.387 4.936 4.550 -0.001 0.000 0.293 530 Y C 0.659 176.296 175.900 -0.439 0.000 1.195 530 Y CA -0.726 57.183 58.100 -0.319 0.000 1.276 530 Y CB -0.354 37.876 38.460 -0.382 0.000 1.082 530 Y HN 0.333 nan 8.280 nan 0.000 0.514 531 W N 1.807 122.876 121.300 -0.385 0.000 3.549 531 W HA 0.243 4.902 4.660 -0.001 0.000 0.260 531 W C 0.044 176.402 176.519 -0.269 0.000 1.572 531 W CA 0.115 57.242 57.345 -0.363 0.000 2.140 531 W CB -0.074 28.956 29.460 -0.717 0.000 1.431 531 W HN 0.072 nan 8.180 nan 0.000 0.525 532 N N -2.232 116.426 118.700 -0.070 0.000 3.020 532 N HA 0.264 5.004 4.740 -0.001 0.000 0.248 532 N C 0.103 175.539 175.510 -0.123 0.000 1.480 532 N CA 0.088 53.097 53.050 -0.069 0.000 0.874 532 N CB 0.310 38.783 38.487 -0.024 0.000 1.433 532 N HN 0.050 nan 8.380 nan 0.000 0.530 533 E N -1.286 118.856 120.200 -0.096 0.000 2.331 533 E HA -0.201 4.148 4.350 -0.001 0.000 0.199 533 E C 0.708 177.144 176.600 -0.273 0.000 1.008 533 E CA 1.558 57.850 56.400 -0.179 0.000 0.843 533 E CB -1.124 28.448 29.700 -0.213 0.000 0.761 533 E HN 0.620 nan 8.360 nan 0.000 0.507 534 H N -1.236 117.751 119.070 -0.138 0.000 2.539 534 H HA 0.483 5.039 4.556 -0.001 0.000 0.269 534 H C 0.825 176.050 175.328 -0.172 0.000 0.980 534 H CA 0.533 56.501 56.048 -0.134 0.000 1.152 534 H CB 0.534 30.217 29.762 -0.132 0.000 1.407 534 H HN 0.453 nan 8.280 nan 0.000 0.564 535 A N 2.072 124.783 122.820 -0.183 0.000 2.915 535 A HA 0.089 4.408 4.320 -0.001 0.000 0.292 535 A C 0.000 177.546 177.584 -0.063 0.000 1.632 535 A CA -0.503 51.381 52.037 -0.255 0.000 1.337 535 A CB -0.810 17.678 19.000 -0.854 0.000 1.111 535 A HN 0.318 nan 8.150 nan 0.000 0.569 536 D N 0.786 121.215 120.400 0.049 0.000 2.722 536 D HA 0.171 4.810 4.640 -0.001 0.000 0.239 536 D C 0.425 176.824 176.300 0.164 0.000 1.249 536 D CA 0.070 54.118 54.000 0.080 0.000 0.830 536 D CB 0.044 40.849 40.800 0.008 0.000 1.025 536 D HN 0.327 nan 8.370 nan 0.000 0.486 537 T N -3.505 111.251 114.554 0.337 0.000 2.950 537 T HA 0.367 4.716 4.350 -0.001 0.000 0.288 537 T C 1.183 176.104 174.700 0.370 0.000 1.035 537 T CA -1.014 61.278 62.100 0.320 0.000 1.028 537 T CB 1.430 70.458 68.868 0.266 0.000 1.109 537 T HN 0.013 nan 8.240 nan 0.000 0.514 538 L N 0.888 122.284 121.223 0.289 0.000 2.261 538 L HA -0.087 4.253 4.340 -0.001 0.000 0.216 538 L C 2.960 179.933 176.870 0.171 0.000 1.114 538 L CA 1.402 56.371 54.840 0.215 0.000 0.777 538 L CB -0.591 41.571 42.059 0.172 0.000 0.910 538 L HN 0.850 nan 8.230 nan 0.000 0.440 539 E N -0.073 120.216 120.200 0.149 0.000 2.268 539 E HA -0.232 4.117 4.350 -0.001 0.000 0.195 539 E C 1.526 178.024 176.600 -0.169 0.000 0.995 539 E CA 1.082 57.453 56.400 -0.048 0.000 0.836 539 E CB -0.383 29.281 29.700 -0.059 0.000 0.763 539 E HN 0.628 nan 8.360 nan 0.000 0.491 540 W N 1.469 122.881 121.300 0.187 0.000 3.139 540 W HA 0.163 4.822 4.660 -0.001 0.000 0.260 540 W C 1.931 178.492 176.519 0.070 0.000 1.312 540 W CA 0.516 57.920 57.345 0.097 0.000 1.606 540 W CB 0.226 29.723 29.460 0.063 0.000 1.118 540 W HN -0.052 nan 8.180 nan 0.000 0.675 541 T N 1.129 115.818 114.554 0.225 0.000 2.904 541 T HA 0.002 4.351 4.350 -0.001 0.000 0.267 541 T C 0.978 175.740 174.700 0.103 0.000 1.059 541 T CA 0.702 62.888 62.100 0.142 0.000 1.137 541 T CB -0.262 68.672 68.868 0.110 0.000 0.879 541 T HN -0.127 nan 8.240 nan 0.000 0.467 542 L N 1.377 122.651 121.223 0.085 0.000 2.431 542 L HA 0.426 4.765 4.340 -0.001 0.000 0.260 542 L C 1.141 178.052 176.870 0.067 0.000 1.098 542 L CA -1.199 53.673 54.840 0.053 0.000 0.800 542 L CB 0.103 42.174 42.059 0.021 0.000 1.210 542 L HN 0.059 nan 8.230 nan 0.000 0.465 543 T N -2.240 112.343 114.554 0.049 0.000 2.698 543 T HA 0.229 4.578 4.350 -0.001 0.000 0.295 543 T C 0.140 174.884 174.700 0.073 0.000 1.007 543 T CA -0.735 61.401 62.100 0.060 0.000 0.980 543 T CB 0.705 69.594 68.868 0.035 0.000 1.036 543 T HN 0.499 nan 8.240 nan 0.000 0.526 544 S N 2.735 118.485 115.700 0.083 0.000 2.622 544 S HA 0.468 4.938 4.470 -0.001 0.000 0.283 544 S C -2.542 172.085 174.600 0.045 0.000 1.197 544 S CA -0.916 57.340 58.200 0.092 0.000 1.146 544 S CB 0.755 64.042 63.200 0.145 0.000 1.007 544 S HN 0.610 nan 8.310 nan 0.000 0.478 545 P HA 0.463 nan 4.420 nan 0.000 0.278 545 P C -2.762 174.548 177.300 0.016 0.000 1.258 545 P CA -1.865 61.260 63.100 0.042 0.000 0.811 545 P CB -0.337 31.381 31.700 0.031 0.000 1.063 546 P HA 0.165 nan 4.420 nan 0.000 0.270 546 P C -2.149 175.115 177.300 -0.061 0.000 1.223 546 P CA -0.949 62.128 63.100 -0.037 0.000 0.785 546 P CB -1.185 30.467 31.700 -0.080 0.000 0.923 547 P HA 0.078 nan 4.420 nan 0.000 0.272 547 P C 0.963 178.204 177.300 -0.098 0.000 1.230 547 P CA 0.080 63.142 63.100 -0.063 0.000 0.788 547 P CB 0.288 31.961 31.700 -0.045 0.000 0.949 548 E N 0.251 120.395 120.200 -0.093 0.000 2.065 548 E HA -0.212 4.138 4.350 -0.001 0.000 0.201 548 E C 1.325 177.852 176.600 -0.121 0.000 1.016 548 E CA 2.304 58.635 56.400 -0.115 0.000 0.818 548 E CB -1.854 27.795 29.700 -0.086 0.000 0.749 548 E HN 0.931 nan 8.360 nan 0.000 0.453 549 H N -0.122 118.898 119.070 -0.084 0.000 2.504 549 H HA 0.653 5.208 4.556 -0.001 0.000 0.322 549 H C 0.513 175.806 175.328 -0.058 0.000 1.055 549 H CA -0.104 55.902 56.048 -0.069 0.000 1.231 549 H CB 1.096 30.829 29.762 -0.050 0.000 1.417 549 H HN 0.627 nan 8.280 nan 0.000 0.472 550 T N 0.000 114.522 114.554 -0.053 0.000 3.816 550 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 550 T CA 0.000 62.077 62.100 -0.039 0.000 1.349 550 T CB 0.000 68.843 68.868 -0.042 0.000 0.612 550 T HN 0.000 nan 8.240 nan 0.000 0.658