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 2v0m_1_A DATA FIRST_RESID 30 DATA SEQUENCE HGLFKKLGIP GPTPLPFLGN ILSYHKGFCM FDMECHKKYG KVWGFYDGQQ DATA SEQUENCE PVLAITDPDM IKTVLVKECY SVFTNRRPFG PVGFMKSAIS IAEDEEWKRL DATA SEQUENCE RSLLSPTFTS GKLKEMVPII AQYGDVLVRN LRREAETGKP VTLKDVFGAY DATA SEQUENCE SMDVITSTSF GVNIDSLNNP QDPFVENTKK LLRFDFLDPF FLSITVFPFL DATA SEQUENCE IPILEVLNIC VFPREVTNFL RKSVKRMKES RLEDXXXXXV DFLQLMIDSQ DATA SEQUENCE XXXXXXXXXA LSDLELVAQS IIFIFAGYET TSSVLSFIMY ELATHPDVQQ DATA SEQUENCE KLQEEIDAVL PNKAPPTYDT VLQMEYLDMV VNETLRLFPI AMRLERVCKK DATA SEQUENCE DVEINGMFIP KGVVVMIPSY ALHRDPKYWT EPEKFLPERF SKKNKDNIDP DATA SEQUENCE YIYTPFGSGP RNCIGMRFAL MNMKLALIRV LQNFSFKPCK ETQIPLKLSL DATA SEQUENCE GGLLQPEKPV VLKVESRDG 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 30 H HA 0.000 nan 4.556 nan 0.000 0.296 30 H C 0.000 175.208 175.328 -0.200 0.000 0.993 30 H CA 0.000 55.713 56.048 -0.558 0.000 1.023 30 H CB 0.000 29.431 29.762 -0.551 0.000 1.292 31 G N 0.672 109.491 108.800 0.032 0.000 2.920 31 G HA2 -0.055 3.906 3.960 0.001 0.000 0.208 31 G HA3 -0.055 3.906 3.960 0.001 0.000 0.208 31 G C 1.358 176.318 174.900 0.101 0.000 1.159 31 G CA 0.167 45.310 45.100 0.071 0.000 0.784 31 G HN 0.127 nan 8.290 nan 0.000 0.535 32 L N -0.091 121.191 121.223 0.098 0.000 1.976 32 L HA 0.071 4.412 4.340 0.001 0.000 0.209 32 L C 2.469 179.319 176.870 -0.033 0.000 1.071 32 L CA 1.798 56.617 54.840 -0.035 0.000 0.746 32 L CB -0.459 41.474 42.059 -0.210 0.000 0.890 32 L HN 0.193 nan 8.230 nan 0.000 0.432 33 F N 0.054 120.113 119.950 0.182 0.000 2.171 33 F HA -0.186 4.342 4.527 0.001 0.000 0.300 33 F C 2.395 178.246 175.800 0.084 0.000 1.090 33 F CA 1.225 59.272 58.000 0.079 0.000 1.293 33 F CB -0.830 38.175 39.000 0.008 0.000 1.013 33 F HN 0.051 nan 8.300 nan 0.000 0.486 34 K N 0.432 120.993 120.400 0.269 0.000 1.987 34 K HA -0.255 4.066 4.320 0.001 0.000 0.216 34 K C 2.183 178.863 176.600 0.133 0.000 1.051 34 K CA 1.749 58.138 56.287 0.171 0.000 0.942 34 K CB -0.416 32.167 32.500 0.138 0.000 0.722 34 K HN 0.135 nan 8.250 nan 0.000 0.444 35 K N 1.061 121.528 120.400 0.112 0.000 2.218 35 K HA -0.126 4.194 4.320 0.001 0.000 0.205 35 K C 1.846 178.507 176.600 0.102 0.000 1.046 35 K CA 1.055 57.393 56.287 0.086 0.000 0.933 35 K CB 0.011 32.551 32.500 0.066 0.000 0.728 35 K HN 0.133 nan 8.250 nan 0.000 0.454 36 L N -0.711 120.594 121.223 0.136 0.000 2.558 36 L HA 0.099 4.440 4.340 0.001 0.000 0.225 36 L C 1.080 178.040 176.870 0.151 0.000 1.128 36 L CA 0.492 55.431 54.840 0.166 0.000 0.868 36 L CB 0.134 42.313 42.059 0.200 0.000 1.006 36 L HN 0.484 nan 8.230 nan 0.000 0.454 37 G N 1.324 110.206 108.800 0.136 0.000 2.147 37 G HA2 -0.289 3.671 3.960 0.001 0.000 0.244 37 G HA3 -0.289 3.671 3.960 0.001 0.000 0.244 37 G C 0.046 175.014 174.900 0.114 0.000 1.005 37 G CA -0.050 45.117 45.100 0.113 0.000 0.713 37 G HN 0.305 nan 8.290 nan 0.000 0.515 38 I N 2.390 123.047 120.570 0.144 0.000 2.336 38 I HA 0.391 4.562 4.170 0.001 0.000 0.292 38 I C -1.287 174.849 176.117 0.032 0.000 0.991 38 I CA -2.473 58.881 61.300 0.089 0.000 1.227 38 I CB 1.837 39.893 38.000 0.093 0.000 1.366 38 I HN -0.044 nan 8.210 nan 0.000 0.466 39 P HA 0.580 nan 4.420 nan 0.000 0.282 39 P C -0.273 176.781 177.300 -0.411 0.000 1.287 39 P CA -0.175 62.847 63.100 -0.129 0.000 0.792 39 P CB 1.417 33.101 31.700 -0.027 0.000 1.163 40 G N -1.175 107.162 108.800 -0.773 0.000 2.336 40 G HA2 0.304 4.265 3.960 0.001 0.000 0.300 40 G HA3 0.304 4.265 3.960 0.001 0.000 0.300 40 G C -3.309 171.338 174.900 -0.422 0.000 1.375 40 G CA -0.835 43.715 45.100 -0.916 0.000 0.885 40 G HN 0.484 nan 8.290 nan 0.000 0.599 41 P HA 0.347 nan 4.420 nan 0.000 0.275 41 P C 0.108 177.493 177.300 0.141 0.000 1.228 41 P CA 0.107 63.301 63.100 0.158 0.000 0.786 41 P CB 0.638 32.483 31.700 0.241 0.000 0.927 42 T N 4.325 118.951 114.554 0.120 0.000 2.834 42 T HA 0.267 4.618 4.350 0.001 0.000 0.298 42 T C -1.819 172.915 174.700 0.057 0.000 0.966 42 T CA -0.815 61.339 62.100 0.090 0.000 1.141 42 T CB -0.336 68.574 68.868 0.071 0.000 0.905 42 T HN 0.407 nan 8.240 nan 0.000 0.535 43 P HA 0.400 nan 4.420 nan 0.000 0.279 43 P C -0.582 176.653 177.300 -0.108 0.000 1.252 43 P CA -0.705 62.318 63.100 -0.128 0.000 0.811 43 P CB 0.966 32.343 31.700 -0.538 0.000 1.035 44 L N 2.349 123.544 121.223 -0.047 0.000 2.360 44 L HA 0.407 4.748 4.340 0.001 0.000 0.271 44 L C -2.068 174.872 176.870 0.116 0.000 1.057 44 L CA -2.470 52.394 54.840 0.040 0.000 0.803 44 L CB 0.772 42.870 42.059 0.066 0.000 1.207 44 L HN 0.187 nan 8.230 nan 0.000 0.445 45 P HA 0.008 nan 4.420 nan 0.000 0.264 45 P C -0.005 177.438 177.300 0.238 0.000 1.183 45 P CA 0.336 63.497 63.100 0.101 0.000 0.763 45 P CB 0.199 31.961 31.700 0.103 0.000 0.807 46 F N -0.872 119.179 119.950 0.168 0.000 2.592 46 F HA -0.358 4.170 4.527 0.002 0.000 0.643 46 F C 1.792 177.650 175.800 0.097 0.000 0.490 46 F CA 1.283 59.356 58.000 0.123 0.000 0.714 46 F CB -1.895 37.180 39.000 0.125 0.000 1.611 46 F HN 0.255 nan 8.300 nan 0.000 0.258 47 L N -0.269 121.116 121.223 0.270 0.000 2.217 47 L HA 0.134 4.474 4.340 0.001 0.000 0.211 47 L C 2.037 178.992 176.870 0.141 0.000 1.107 47 L CA 1.112 56.041 54.840 0.148 0.000 0.783 47 L CB -1.087 41.035 42.059 0.105 0.000 0.919 47 L HN 0.694 nan 8.230 nan 0.000 0.442 48 G N 0.701 109.590 108.800 0.148 0.000 2.531 48 G HA2 -0.393 3.568 3.960 0.001 0.000 0.274 48 G HA3 -0.393 3.568 3.960 0.001 0.000 0.274 48 G C 0.183 175.110 174.900 0.046 0.000 1.159 48 G CA 0.538 45.692 45.100 0.090 0.000 0.969 48 G HN 0.424 nan 8.290 nan 0.000 0.554 49 N N 1.409 120.157 118.700 0.080 0.000 2.275 49 N HA 0.358 5.099 4.740 0.001 0.000 0.236 49 N C 1.879 177.163 175.510 -0.377 0.000 1.154 49 N CA 0.530 53.530 53.050 -0.084 0.000 0.866 49 N CB 0.181 38.674 38.487 0.010 0.000 1.093 49 N HN 0.705 nan 8.380 nan 0.000 0.515 50 I N -2.279 118.169 120.570 -0.204 0.000 2.493 50 I HA -0.114 4.057 4.170 0.001 0.000 0.254 50 I C 1.158 177.154 176.117 -0.201 0.000 1.160 50 I CA 1.117 62.295 61.300 -0.204 0.000 1.445 50 I CB -0.239 37.849 38.000 0.147 0.000 1.086 50 I HN 0.076 nan 8.210 nan 0.000 0.433 51 L N 1.182 122.331 121.223 -0.124 0.000 2.450 51 L HA -0.078 4.263 4.340 0.001 0.000 0.224 51 L C 2.364 179.205 176.870 -0.048 0.000 1.149 51 L CA 0.707 55.532 54.840 -0.026 0.000 0.816 51 L CB -0.653 41.416 42.059 0.017 0.000 0.932 51 L HN 0.268 nan 8.230 nan 0.000 0.449 52 S N -1.421 114.045 115.700 -0.389 0.000 2.515 52 S HA -0.067 4.403 4.470 0.001 0.000 0.231 52 S C 1.428 175.500 174.600 -0.880 0.000 0.987 52 S CA 0.443 58.258 58.200 -0.641 0.000 0.936 52 S CB -0.221 62.453 63.200 -0.878 0.000 0.766 52 S HN 0.457 nan 8.310 nan 0.000 0.528 53 Y N 1.786 121.699 120.300 -0.645 0.000 2.553 53 Y HA -0.022 4.529 4.550 0.001 0.000 0.303 53 Y C 2.341 177.955 175.900 -0.476 0.000 1.194 53 Y CA 0.055 57.764 58.100 -0.651 0.000 1.305 53 Y CB -0.311 37.800 38.460 -0.582 0.000 1.045 53 Y HN 0.557 nan 8.280 nan 0.000 0.514 54 H N -1.506 117.469 119.070 -0.157 0.000 2.495 54 H HA 0.013 4.570 4.556 0.001 0.000 0.287 54 H C 0.985 176.184 175.328 -0.215 0.000 1.033 54 H CA 0.752 56.696 56.048 -0.174 0.000 1.307 54 H CB 0.173 29.856 29.762 -0.131 0.000 1.401 54 H HN 0.141 nan 8.280 nan 0.000 0.555 55 K N 0.947 121.108 120.400 -0.400 0.000 2.372 55 K HA 0.216 4.537 4.320 0.001 0.000 0.200 55 K C 0.539 177.015 176.600 -0.206 0.000 1.022 55 K CA 0.542 56.695 56.287 -0.224 0.000 1.125 55 K CB 0.872 33.251 32.500 -0.201 0.000 0.855 55 K HN 0.608 nan 8.250 nan 0.000 0.524 56 G N 0.705 109.347 108.800 -0.263 0.000 2.730 56 G HA2 -0.245 3.715 3.960 0.001 0.000 0.686 56 G HA3 -0.245 3.715 3.960 0.001 0.000 0.686 56 G C 0.320 175.098 174.900 -0.203 0.000 1.343 56 G CA -0.721 44.226 45.100 -0.254 0.000 0.826 56 G HN 0.048 nan 8.290 nan 0.000 0.582 57 F N 0.032 119.980 119.950 -0.004 0.000 2.293 57 F HA -0.008 4.520 4.527 0.001 0.000 0.300 57 F C 3.029 178.830 175.800 0.002 0.000 1.086 57 F CA 1.681 59.739 58.000 0.097 0.000 1.375 57 F CB -0.569 38.439 39.000 0.014 0.000 1.045 57 F HN 0.522 nan 8.300 nan 0.000 0.516 58 C N -0.644 118.626 119.300 -0.049 0.000 2.466 58 C HA -0.124 4.337 4.460 0.001 0.000 0.278 58 C C 2.753 177.622 174.990 -0.201 0.000 1.288 58 C CA 0.528 59.286 59.018 -0.432 0.000 1.722 58 C CB -0.791 26.241 27.740 -1.181 0.000 2.017 58 C HN 0.383 nan 8.230 nan 0.000 0.488 59 M N -0.013 119.517 119.600 -0.116 0.000 2.200 59 M HA 0.047 4.528 4.480 0.001 0.000 0.265 59 M C 1.790 178.095 176.300 0.007 0.000 1.066 59 M CA 1.140 56.415 55.300 -0.042 0.000 1.127 59 M CB -1.190 31.373 32.600 -0.062 0.000 1.379 59 M HN 0.467 nan 8.290 nan 0.000 0.420 60 F N 0.824 120.688 119.950 -0.143 0.000 2.095 60 F HA -0.293 4.235 4.527 0.002 0.000 0.298 60 F C 1.718 177.462 175.800 -0.094 0.000 1.104 60 F CA 1.498 59.397 58.000 -0.167 0.000 1.232 60 F CB -0.034 38.842 39.000 -0.206 0.000 0.987 60 F HN 0.131 nan 8.300 nan 0.000 0.475 61 D N -0.032 120.315 120.400 -0.087 0.000 2.183 61 D HA -0.144 4.496 4.640 0.001 0.000 0.203 61 D C 2.312 178.589 176.300 -0.039 0.000 0.969 61 D CA 0.902 54.873 54.000 -0.048 0.000 0.842 61 D CB -0.150 40.757 40.800 0.178 0.000 0.957 61 D HN 0.280 nan 8.370 nan 0.000 0.484 62 M N 0.482 120.085 119.600 0.005 0.000 2.099 62 M HA -0.075 4.406 4.480 0.001 0.000 0.262 62 M C 1.996 178.232 176.300 -0.106 0.000 1.067 62 M CA 1.201 56.520 55.300 0.032 0.000 1.124 62 M CB -0.786 31.867 32.600 0.089 0.000 1.353 62 M HN 0.074 nan 8.290 nan 0.000 0.410 63 E N -0.349 119.750 120.200 -0.168 0.000 2.023 63 E HA -0.215 4.136 4.350 0.001 0.000 0.196 63 E C 2.165 178.522 176.600 -0.405 0.000 1.003 63 E CA 1.738 57.997 56.400 -0.235 0.000 0.809 63 E CB -0.133 29.461 29.700 -0.177 0.000 0.755 63 E HN 0.475 nan 8.360 nan 0.000 0.449 64 C N 0.229 119.181 119.300 -0.580 0.000 2.413 64 C HA -0.144 4.317 4.460 0.001 0.000 0.276 64 C C 2.634 176.952 174.990 -1.119 0.000 1.248 64 C CA 0.968 59.462 59.018 -0.873 0.000 1.742 64 C CB -1.171 25.748 27.740 -1.368 0.000 2.017 64 C HN 0.509 nan 8.230 nan 0.000 0.481 65 H N 1.263 119.607 119.070 -1.209 0.000 2.352 65 H HA -0.130 4.426 4.556 0.001 0.000 0.299 65 H C 2.222 177.310 175.328 -0.401 0.000 1.097 65 H CA 2.139 57.688 56.048 -0.831 0.000 1.311 65 H CB -0.290 29.303 29.762 -0.280 0.000 1.377 65 H HN 0.427 nan 8.280 nan 0.000 0.504 66 K N 0.181 120.339 120.400 -0.403 0.000 2.062 66 K HA -0.097 4.224 4.320 0.001 0.000 0.205 66 K C 2.168 178.553 176.600 -0.358 0.000 1.051 66 K CA 1.240 57.309 56.287 -0.363 0.000 0.941 66 K CB 0.110 32.455 32.500 -0.257 0.000 0.719 66 K HN 0.220 nan 8.250 nan 0.000 0.440 67 K N -0.747 119.372 120.400 -0.468 0.000 2.025 67 K HA -0.127 4.194 4.320 0.001 0.000 0.207 67 K C 1.882 178.157 176.600 -0.541 0.000 1.049 67 K CA 1.542 57.468 56.287 -0.602 0.000 0.933 67 K CB -0.029 31.877 32.500 -0.991 0.000 0.714 67 K HN 0.170 nan 8.250 nan 0.000 0.438 68 Y N -0.720 119.433 120.300 -0.245 0.000 2.507 68 Y HA 0.191 4.742 4.550 0.001 0.000 0.263 68 Y C 1.390 177.287 175.900 -0.006 0.000 1.093 68 Y CA 0.382 58.413 58.100 -0.115 0.000 1.285 68 Y CB 0.632 39.032 38.460 -0.101 0.000 1.115 68 Y HN 0.274 nan 8.280 nan 0.000 0.533 69 G N 0.424 109.284 108.800 0.099 0.000 2.578 69 G HA2 -0.310 3.651 3.960 0.001 0.000 0.232 69 G HA3 -0.310 3.651 3.960 0.001 0.000 0.232 69 G C 0.855 175.991 174.900 0.393 0.000 1.176 69 G CA 0.087 45.277 45.100 0.151 0.000 0.968 69 G HN 0.145 nan 8.290 nan 0.000 0.583 70 K N -0.735 119.844 120.400 0.299 0.000 2.209 70 K HA 0.384 4.704 4.320 0.001 0.000 0.204 70 K C 0.649 177.414 176.600 0.275 0.000 1.048 70 K CA 1.463 57.924 56.287 0.290 0.000 0.940 70 K CB 0.044 32.644 32.500 0.166 0.000 0.729 70 K HN 0.475 nan 8.250 nan 0.000 0.451 71 V N 0.082 120.175 119.914 0.298 0.000 2.891 71 V HA 0.386 4.506 4.120 0.001 0.000 0.304 71 V C -1.929 174.313 176.094 0.247 0.000 1.171 71 V CA -0.915 61.455 62.300 0.117 0.000 0.943 71 V CB 1.491 33.316 31.823 0.004 0.000 1.037 71 V HN 0.423 nan 8.190 nan 0.000 0.427 72 W N 3.536 124.755 121.300 -0.136 0.000 3.042 72 W HA 0.945 5.606 4.660 0.001 0.000 0.342 72 W C -0.380 175.828 176.519 -0.518 0.000 1.240 72 W CA -0.681 56.495 57.345 -0.281 0.000 1.166 72 W CB 1.451 30.792 29.460 -0.198 0.000 1.469 72 W HN 0.869 nan 8.180 nan 0.000 0.579 73 G N 0.740 109.151 108.800 -0.648 0.000 2.619 73 G HA2 0.846 4.807 3.960 0.001 0.000 0.296 73 G HA3 0.846 4.807 3.960 0.001 0.000 0.296 73 G C -1.944 172.551 174.900 -0.676 0.000 1.334 73 G CA -0.884 43.293 45.100 -1.539 0.000 0.934 73 G HN 1.198 nan 8.290 nan 0.000 0.476 74 F N -1.497 118.108 119.950 -0.575 0.000 2.817 74 F HA 0.734 5.262 4.527 0.001 0.000 0.317 74 F C -2.320 173.369 175.800 -0.186 0.000 1.168 74 F CA -2.142 55.768 58.000 -0.150 0.000 0.911 74 F CB 1.313 40.412 39.000 0.165 0.000 1.337 74 F HN 0.406 nan 8.300 nan 0.000 0.464 75 Y N 0.534 121.096 120.300 0.437 0.000 2.338 75 Y HA 0.385 4.936 4.550 0.001 0.000 0.328 75 Y C -0.881 175.217 175.900 0.331 0.000 0.965 75 Y CA -1.036 57.239 58.100 0.292 0.000 1.208 75 Y CB 1.149 39.712 38.460 0.172 0.000 1.132 75 Y HN 0.448 nan 8.280 nan 0.000 0.469 76 D N 3.463 124.131 120.400 0.447 0.000 2.416 76 D HA 0.331 4.972 4.640 0.001 0.000 0.240 76 D C 1.025 177.502 176.300 0.296 0.000 1.250 76 D CA 1.256 55.499 54.000 0.405 0.000 0.967 76 D CB 0.628 41.665 40.800 0.396 0.000 1.059 76 D HN 0.906 nan 8.370 nan 0.000 0.512 77 G N 3.480 112.437 108.800 0.262 0.000 2.595 77 G HA2 -0.412 3.549 3.960 0.001 0.000 0.297 77 G HA3 -0.412 3.549 3.960 0.001 0.000 0.297 77 G C 0.897 175.981 174.900 0.306 0.000 1.181 77 G CA 0.503 45.728 45.100 0.209 0.000 0.963 77 G HN 0.482 nan 8.290 nan 0.000 0.541 78 Q N 0.028 119.978 119.800 0.249 0.000 2.317 78 Q HA 0.368 4.709 4.340 0.001 0.000 0.220 78 Q C 1.155 177.335 176.000 0.301 0.000 0.873 78 Q CA 1.009 56.959 55.803 0.246 0.000 0.936 78 Q CB 0.374 29.181 28.738 0.114 0.000 1.105 78 Q HN 0.619 nan 8.270 nan 0.000 0.520 79 Q N 1.941 121.898 119.800 0.261 0.000 2.286 79 Q HA 0.192 4.533 4.340 0.001 0.000 0.265 79 Q C -2.384 173.728 176.000 0.187 0.000 1.080 79 Q CA -2.250 53.667 55.803 0.190 0.000 0.906 79 Q CB 0.876 29.696 28.738 0.136 0.000 1.227 79 Q HN -0.004 nan 8.270 nan 0.000 0.409 80 P HA 0.055 nan 4.420 nan 0.000 0.271 80 P C -1.205 176.022 177.300 -0.121 0.000 1.220 80 P CA -0.136 62.877 63.100 -0.145 0.000 0.768 80 P CB 0.927 32.422 31.700 -0.342 0.000 0.848 81 V N 4.905 124.672 119.914 -0.244 0.000 2.407 81 V HA 0.269 4.390 4.120 0.001 0.000 0.291 81 V C -0.182 175.570 176.094 -0.570 0.000 1.018 81 V CA -0.680 61.331 62.300 -0.482 0.000 0.842 81 V CB 1.551 32.825 31.823 -0.915 0.000 0.996 81 V HN 0.353 nan 8.190 nan 0.000 0.426 82 L N 5.250 126.295 121.223 -0.297 0.000 2.257 82 L HA 0.831 5.172 4.340 0.001 0.000 0.290 82 L C 0.480 177.046 176.870 -0.507 0.000 1.044 82 L CA 0.008 54.608 54.840 -0.400 0.000 0.810 82 L CB 0.957 42.957 42.059 -0.098 0.000 1.193 82 L HN 0.747 nan 8.230 nan 0.000 0.425 83 A N 6.844 129.194 122.820 -0.784 0.000 2.328 83 A HA 0.668 4.989 4.320 0.001 0.000 0.284 83 A C -0.289 176.822 177.584 -0.788 0.000 1.160 83 A CA -0.507 50.993 52.037 -0.895 0.000 0.818 83 A CB 0.003 18.053 19.000 -1.582 0.000 1.087 83 A HN 0.823 nan 8.150 nan 0.000 0.504 84 I N -0.773 119.489 120.570 -0.514 0.000 2.693 84 I HA 0.756 4.926 4.170 0.001 0.000 0.303 84 I C 0.202 176.175 176.117 -0.240 0.000 1.025 84 I CA -0.575 60.526 61.300 -0.331 0.000 1.086 84 I CB 2.369 40.218 38.000 -0.251 0.000 1.268 84 I HN 0.369 nan 8.210 nan 0.000 0.440 85 T N 0.831 115.321 114.554 -0.106 0.000 3.010 85 T HA 0.121 4.472 4.350 0.001 0.000 0.253 85 T C 0.001 174.729 174.700 0.046 0.000 0.939 85 T CA 0.149 62.247 62.100 -0.004 0.000 0.910 85 T CB -0.070 68.886 68.868 0.146 0.000 1.226 85 T HN 0.844 nan 8.240 nan 0.000 0.508 86 D N 1.991 122.406 120.400 0.024 0.000 2.417 86 D HA 0.148 4.788 4.640 0.001 0.000 0.250 86 D C -1.624 174.670 176.300 -0.010 0.000 1.166 86 D CA -1.701 52.321 54.000 0.037 0.000 0.881 86 D CB 1.599 42.408 40.800 0.015 0.000 1.164 86 D HN 0.053 nan 8.370 nan 0.000 0.467 87 P HA -0.112 nan 4.420 nan 0.000 0.216 87 P C 0.495 177.722 177.300 -0.120 0.000 1.150 87 P CA 0.878 63.973 63.100 -0.008 0.000 0.837 87 P CB 0.247 31.979 31.700 0.053 0.000 0.786 88 D N -1.385 118.958 120.400 -0.095 0.000 2.183 88 D HA -0.078 4.563 4.640 0.001 0.000 0.203 88 D C 1.872 178.063 176.300 -0.182 0.000 0.969 88 D CA 0.905 54.815 54.000 -0.150 0.000 0.842 88 D CB -0.506 40.252 40.800 -0.071 0.000 0.957 88 D HN 0.159 nan 8.370 nan 0.000 0.484 89 M N 0.360 119.877 119.600 -0.138 0.000 2.159 89 M HA -0.116 4.365 4.480 0.001 0.000 0.263 89 M C 1.982 178.144 176.300 -0.230 0.000 1.063 89 M CA 1.195 56.401 55.300 -0.155 0.000 1.110 89 M CB 0.062 32.592 32.600 -0.117 0.000 1.374 89 M HN -0.092 nan 8.290 nan 0.000 0.411 90 I N -0.183 120.247 120.570 -0.233 0.000 2.226 90 I HA -0.316 3.854 4.170 0.001 0.000 0.245 90 I C 2.426 178.327 176.117 -0.361 0.000 1.100 90 I CA 1.325 62.472 61.300 -0.254 0.000 1.374 90 I CB -0.541 37.374 38.000 -0.140 0.000 1.057 90 I HN 0.324 nan 8.210 nan 0.000 0.413 91 K N 0.516 120.553 120.400 -0.605 0.000 2.147 91 K HA -0.169 4.152 4.320 0.001 0.000 0.205 91 K C 1.978 178.365 176.600 -0.356 0.000 1.049 91 K CA 1.706 57.528 56.287 -0.774 0.000 0.936 91 K CB -0.007 31.873 32.500 -1.034 0.000 0.722 91 K HN 0.273 nan 8.250 nan 0.000 0.446 92 T N 0.423 114.810 114.554 -0.279 0.000 2.770 92 T HA -0.117 4.233 4.350 0.001 0.000 0.263 92 T C 1.792 176.389 174.700 -0.171 0.000 1.039 92 T CA 1.466 63.465 62.100 -0.169 0.000 1.142 92 T CB -0.113 68.681 68.868 -0.123 0.000 0.868 92 T HN 0.285 nan 8.240 nan 0.000 0.435 93 V N 0.272 119.978 119.914 -0.347 0.000 2.591 93 V HA 0.144 4.265 4.120 0.001 0.000 0.249 93 V C 2.013 177.935 176.094 -0.286 0.000 1.053 93 V CA 1.216 63.163 62.300 -0.587 0.000 1.068 93 V CB -0.724 30.348 31.823 -1.252 0.000 0.689 93 V HN 0.453 nan 8.190 nan 0.000 0.462 94 L N -0.570 120.523 121.223 -0.216 0.000 2.209 94 L HA 0.086 4.427 4.340 0.001 0.000 0.207 94 L C 2.151 178.982 176.870 -0.065 0.000 1.094 94 L CA 0.987 55.760 54.840 -0.112 0.000 0.790 94 L CB -0.000 42.026 42.059 -0.054 0.000 0.932 94 L HN 0.303 nan 8.230 nan 0.000 0.447 95 V N -1.207 118.666 119.914 -0.069 0.000 3.405 95 V HA 0.007 4.127 4.120 0.001 0.000 0.211 95 V C 2.014 178.086 176.094 -0.036 0.000 1.151 95 V CA 0.115 62.394 62.300 -0.034 0.000 1.323 95 V CB -0.417 31.416 31.823 0.017 0.000 1.357 95 V HN 0.102 nan 8.190 nan 0.000 0.506 96 K N 0.737 121.121 120.400 -0.027 0.000 2.059 96 K HA -0.191 4.130 4.320 0.001 0.000 0.212 96 K C 1.420 178.047 176.600 0.044 0.000 1.050 96 K CA 1.902 58.196 56.287 0.010 0.000 0.927 96 K CB -0.114 32.385 32.500 -0.001 0.000 0.714 96 K HN 0.414 nan 8.250 nan 0.000 0.447 97 E N 0.066 120.307 120.200 0.068 0.000 2.496 97 E HA 0.011 4.362 4.350 0.001 0.000 0.200 97 E C 1.216 177.907 176.600 0.151 0.000 1.016 97 E CA -0.074 56.408 56.400 0.137 0.000 0.962 97 E CB -0.019 29.817 29.700 0.225 0.000 1.071 97 E HN 0.277 nan 8.360 nan 0.000 0.457 98 C N 0.047 119.367 119.300 0.034 0.000 2.396 98 C HA -0.224 4.237 4.460 0.001 0.000 0.281 98 C C 2.291 177.277 174.990 -0.007 0.000 1.208 98 C CA 1.086 60.075 59.018 -0.047 0.000 1.754 98 C CB -1.069 26.521 27.740 -0.250 0.000 2.044 98 C HN 0.546 nan 8.230 nan 0.000 0.449 99 Y N 1.901 122.276 120.300 0.125 0.000 2.151 99 Y HA -0.228 4.323 4.550 0.001 0.000 0.284 99 Y C 3.041 178.982 175.900 0.068 0.000 1.166 99 Y CA 1.780 59.956 58.100 0.127 0.000 1.163 99 Y CB -0.432 38.112 38.460 0.140 0.000 0.974 99 Y HN 0.614 nan 8.280 nan 0.000 0.511 100 S N -0.955 114.862 115.700 0.195 0.000 2.357 100 S HA -0.138 4.333 4.470 0.001 0.000 0.221 100 S C 1.842 176.434 174.600 -0.013 0.000 1.031 100 S CA 1.280 59.535 58.200 0.092 0.000 0.982 100 S CB -0.406 62.840 63.200 0.077 0.000 0.853 100 S HN 0.333 nan 8.310 nan 0.000 0.458 101 V N -1.552 118.306 119.914 -0.094 0.000 3.305 101 V HA 0.501 4.621 4.120 0.001 0.000 0.247 101 V C -0.729 175.038 176.094 -0.545 0.000 1.426 101 V CA -0.341 61.739 62.300 -0.366 0.000 1.162 101 V CB 0.299 31.798 31.823 -0.540 0.000 0.961 101 V HN 0.403 nan 8.190 nan 0.000 0.449 102 F N 1.572 121.490 119.950 -0.055 0.000 2.366 102 F HA 0.527 5.054 4.527 0.001 0.000 0.328 102 F C 1.180 176.899 175.800 -0.135 0.000 1.180 102 F CA 0.069 58.013 58.000 -0.094 0.000 1.232 102 F CB 1.207 40.145 39.000 -0.103 0.000 1.513 102 F HN -0.028 nan 8.300 nan 0.000 0.540 103 T N -1.507 113.026 114.554 -0.035 0.000 3.038 103 T HA 0.126 4.477 4.350 0.001 0.000 0.244 103 T C 0.749 175.271 174.700 -0.297 0.000 1.016 103 T CA 0.220 62.229 62.100 -0.151 0.000 1.098 103 T CB 0.142 68.994 68.868 -0.027 0.000 0.954 103 T HN 0.120 nan 8.240 nan 0.000 0.469 104 N N 1.388 119.989 118.700 -0.166 0.000 2.459 104 N HA 0.466 5.206 4.740 0.001 0.000 0.288 104 N C -0.253 175.191 175.510 -0.110 0.000 1.186 104 N CA -0.571 52.382 53.050 -0.161 0.000 0.917 104 N CB 1.617 40.062 38.487 -0.069 0.000 1.219 104 N HN 0.142 nan 8.380 nan 0.000 0.525 105 R N 0.187 120.632 120.500 -0.092 0.000 2.541 105 R HA 0.325 4.666 4.340 0.001 0.000 0.254 105 R C 0.458 176.753 176.300 -0.008 0.000 1.130 105 R CA -0.786 55.285 56.100 -0.050 0.000 1.152 105 R CB 1.081 31.351 30.300 -0.050 0.000 1.222 105 R HN 0.351 nan 8.270 nan 0.000 0.579 106 R N 2.487 122.989 120.500 0.003 0.000 2.502 106 R HA 0.030 4.371 4.340 0.001 0.000 0.292 106 R C -1.876 174.469 176.300 0.074 0.000 0.998 106 R CA -0.949 55.170 56.100 0.032 0.000 1.056 106 R CB 0.162 30.479 30.300 0.028 0.000 0.939 106 R HN 0.371 nan 8.270 nan 0.000 0.411 107 P HA -0.033 nan 4.420 nan 0.000 0.266 107 P C -1.040 176.376 177.300 0.193 0.000 1.195 107 P CA 0.270 63.435 63.100 0.109 0.000 0.768 107 P CB 0.337 32.077 31.700 0.067 0.000 0.838 108 F N 1.952 121.909 119.950 0.011 0.000 2.557 108 F HA 0.675 5.203 4.527 0.001 0.000 0.316 108 F C -0.256 175.542 175.800 -0.003 0.000 1.141 108 F CA -0.040 57.963 58.000 0.005 0.000 0.922 108 F CB 2.030 41.042 39.000 0.020 0.000 1.194 108 F HN 0.607 nan 8.300 nan 0.000 0.443 109 G N 4.679 113.047 108.800 -0.721 0.000 2.495 109 G HA2 0.490 4.451 3.960 0.001 0.000 0.294 109 G HA3 0.490 4.451 3.960 0.001 0.000 0.294 109 G C -3.456 171.103 174.900 -0.567 0.000 1.397 109 G CA -1.127 43.592 45.100 -0.635 0.000 0.790 109 G HN 0.367 nan 8.290 nan 0.000 0.486 110 P HA 0.360 nan 4.420 nan 0.000 0.281 110 P C 0.052 177.149 177.300 -0.339 0.000 1.252 110 P CA -0.125 62.817 63.100 -0.262 0.000 0.778 110 P CB 2.210 33.836 31.700 -0.123 0.000 0.895 111 V N 2.200 121.972 119.914 -0.237 0.000 3.548 111 V HA 0.220 4.341 4.120 0.001 0.000 0.279 111 V C 1.459 177.556 176.094 0.005 0.000 1.446 111 V CA 1.168 63.363 62.300 -0.175 0.000 1.023 111 V CB -0.209 31.541 31.823 -0.121 0.000 0.820 111 V HN 0.988 nan 8.190 nan 0.000 0.438 112 G N 1.826 110.641 108.800 0.026 0.000 2.611 112 G HA2 -0.433 3.528 3.960 0.001 0.000 0.301 112 G HA3 -0.433 3.528 3.960 0.001 0.000 0.301 112 G C 0.631 175.621 174.900 0.151 0.000 1.233 112 G CA 1.001 46.177 45.100 0.127 0.000 0.993 112 G HN 0.817 nan 8.290 nan 0.000 0.553 113 F N -0.351 119.662 119.950 0.105 0.000 2.604 113 F HA 0.388 4.915 4.527 0.001 0.000 0.298 113 F C 2.340 178.212 175.800 0.120 0.000 1.131 113 F CA 1.655 59.712 58.000 0.095 0.000 1.457 113 F CB -0.171 38.874 39.000 0.075 0.000 1.095 113 F HN 0.139 nan 8.300 nan 0.000 0.574 114 M N 2.071 121.261 119.600 -0.683 0.000 2.682 114 M HA -0.006 4.475 4.480 0.001 0.000 0.235 114 M C 1.819 178.067 176.300 -0.087 0.000 1.114 114 M CA 0.585 55.581 55.300 -0.507 0.000 1.053 114 M CB -0.985 31.422 32.600 -0.321 0.000 1.599 114 M HN 0.483 nan 8.290 nan 0.000 0.520 115 K N -0.673 119.719 120.400 -0.014 0.000 2.280 115 K HA -0.050 4.271 4.320 0.001 0.000 0.202 115 K C 1.536 178.183 176.600 0.079 0.000 1.047 115 K CA 1.572 57.894 56.287 0.058 0.000 0.942 115 K CB -0.398 32.140 32.500 0.063 0.000 0.739 115 K HN 0.131 nan 8.250 nan 0.000 0.457 116 S N 1.418 117.158 115.700 0.068 0.000 2.428 116 S HA 0.058 4.529 4.470 0.001 0.000 0.230 116 S C 1.136 175.803 174.600 0.113 0.000 1.014 116 S CA 0.320 58.577 58.200 0.094 0.000 0.957 116 S CB -0.238 63.025 63.200 0.104 0.000 0.784 116 S HN 0.518 nan 8.310 nan 0.000 0.499 117 A N 1.847 124.727 122.820 0.100 0.000 2.565 117 A HA 0.216 4.536 4.320 0.001 0.000 0.237 117 A C 1.249 178.953 177.584 0.200 0.000 1.053 117 A CA -0.103 52.020 52.037 0.143 0.000 0.755 117 A CB -0.364 18.707 19.000 0.118 0.000 0.980 117 A HN 0.438 nan 8.150 nan 0.000 0.506 118 I N 2.508 123.227 120.570 0.249 0.000 2.208 118 I HA -0.274 3.897 4.170 0.001 0.000 0.245 118 I C 2.395 178.726 176.117 0.356 0.000 1.097 118 I CA 2.306 63.798 61.300 0.321 0.000 1.363 118 I CB -0.013 38.193 38.000 0.344 0.000 1.051 118 I HN 0.824 nan 8.210 nan 0.000 0.413 119 S N 1.048 116.918 115.700 0.283 0.000 2.469 119 S HA -0.131 4.340 4.470 0.001 0.000 0.238 119 S C 1.619 176.313 174.600 0.157 0.000 0.998 119 S CA 1.183 59.513 58.200 0.216 0.000 0.957 119 S CB -0.678 62.629 63.200 0.178 0.000 0.764 119 S HN 0.763 nan 8.310 nan 0.000 0.514 120 I N -2.371 118.305 120.570 0.177 0.000 4.240 120 I HA 0.599 4.770 4.170 0.001 0.000 0.331 120 I C 0.646 176.854 176.117 0.152 0.000 1.381 120 I CA -0.779 60.613 61.300 0.153 0.000 1.136 120 I CB 0.065 38.183 38.000 0.196 0.000 1.137 120 I HN 0.178 nan 8.210 nan 0.000 0.411 121 A N 1.803 124.742 122.820 0.198 0.000 2.425 121 A HA 0.442 4.763 4.320 0.001 0.000 0.242 121 A C -0.018 177.699 177.584 0.221 0.000 1.077 121 A CA 0.230 52.400 52.037 0.222 0.000 0.781 121 A CB 0.246 19.416 19.000 0.284 0.000 1.020 121 A HN 0.542 nan 8.150 nan 0.000 0.494 122 E N 0.403 120.725 120.200 0.203 0.000 2.263 122 E HA 0.354 4.705 4.350 0.001 0.000 0.264 122 E C -0.448 176.298 176.600 0.244 0.000 0.923 122 E CA -0.868 55.632 56.400 0.167 0.000 0.802 122 E CB 1.089 30.847 29.700 0.098 0.000 1.228 122 E HN 0.763 nan 8.360 nan 0.000 0.417 123 D N 1.052 121.588 120.400 0.228 0.000 3.584 123 D HA -0.299 4.342 4.640 0.001 0.000 0.153 123 D C 1.097 177.599 176.300 0.338 0.000 0.949 123 D CA 1.667 55.824 54.000 0.261 0.000 1.011 123 D CB -0.326 40.564 40.800 0.150 0.000 0.476 123 D HN 0.568 nan 8.370 nan 0.000 0.460 124 E N 0.675 120.994 120.200 0.198 0.000 2.153 124 E HA -0.142 4.209 4.350 0.001 0.000 0.194 124 E C 1.823 178.489 176.600 0.111 0.000 0.988 124 E CA 1.662 58.141 56.400 0.131 0.000 0.811 124 E CB -0.119 29.621 29.700 0.067 0.000 0.746 124 E HN 0.423 nan 8.360 nan 0.000 0.466 125 E N -0.107 120.176 120.200 0.138 0.000 2.058 125 E HA -0.226 4.124 4.350 0.001 0.000 0.194 125 E C 1.742 178.435 176.600 0.155 0.000 0.997 125 E CA 1.598 58.072 56.400 0.123 0.000 0.801 125 E CB -0.470 29.307 29.700 0.129 0.000 0.746 125 E HN 0.468 nan 8.360 nan 0.000 0.450 126 W N 1.267 122.615 121.300 0.080 0.000 2.358 126 W HA -0.145 4.516 4.660 0.001 0.000 0.303 126 W C 2.047 178.630 176.519 0.107 0.000 1.208 126 W CA 1.959 59.364 57.345 0.100 0.000 1.274 126 W CB -0.442 29.084 29.460 0.110 0.000 1.138 126 W HN 0.037 nan 8.180 nan 0.000 0.515 127 K N 1.398 121.665 120.400 -0.222 0.000 2.009 127 K HA -0.253 4.068 4.320 0.001 0.000 0.210 127 K C 2.301 178.655 176.600 -0.410 0.000 1.049 127 K CA 2.754 58.708 56.287 -0.554 0.000 0.929 127 K CB -0.820 31.611 32.500 -0.115 0.000 0.714 127 K HN 0.474 nan 8.250 nan 0.000 0.440 128 R N 0.058 120.439 120.500 -0.199 0.000 2.148 128 R HA 0.027 4.367 4.340 0.001 0.000 0.223 128 R C 2.293 178.512 176.300 -0.136 0.000 1.088 128 R CA 1.198 57.214 56.100 -0.140 0.000 0.985 128 R CB -0.592 29.664 30.300 -0.072 0.000 0.880 128 R HN 0.159 nan 8.270 nan 0.000 0.451 129 L N 0.601 121.742 121.223 -0.135 0.000 2.141 129 L HA -0.037 4.303 4.340 0.001 0.000 0.209 129 L C 2.812 179.607 176.870 -0.124 0.000 1.094 129 L CA 1.148 55.937 54.840 -0.085 0.000 0.763 129 L CB -0.255 41.806 42.059 0.005 0.000 0.908 129 L HN 0.219 nan 8.230 nan 0.000 0.437 130 R N 0.511 120.822 120.500 -0.315 0.000 2.066 130 R HA -0.129 4.212 4.340 0.001 0.000 0.232 130 R C 2.436 178.652 176.300 -0.141 0.000 1.131 130 R CA 1.935 57.866 56.100 -0.281 0.000 0.955 130 R CB -0.381 29.531 30.300 -0.646 0.000 0.851 130 R HN 0.358 nan 8.270 nan 0.000 0.432 131 S N 0.251 115.849 115.700 -0.169 0.000 2.474 131 S HA -0.097 4.373 4.470 0.001 0.000 0.235 131 S C 1.782 176.343 174.600 -0.066 0.000 0.997 131 S CA 0.849 58.992 58.200 -0.095 0.000 0.949 131 S CB -0.338 62.803 63.200 -0.098 0.000 0.766 131 S HN 0.297 nan 8.310 nan 0.000 0.517 132 L N 1.376 122.555 121.223 -0.074 0.000 2.023 132 L HA 0.232 4.573 4.340 0.001 0.000 0.205 132 L C 2.032 178.869 176.870 -0.056 0.000 1.073 132 L CA 1.626 56.425 54.840 -0.070 0.000 0.745 132 L CB -0.438 41.572 42.059 -0.080 0.000 0.900 132 L HN 0.287 nan 8.230 nan 0.000 0.435 133 L N -0.880 120.334 121.223 -0.014 0.000 2.375 133 L HA 0.024 4.364 4.340 0.001 0.000 0.215 133 L C 2.512 179.429 176.870 0.079 0.000 1.108 133 L CA 0.772 55.636 54.840 0.041 0.000 0.830 133 L CB -0.703 41.443 42.059 0.144 0.000 0.959 133 L HN 0.383 nan 8.230 nan 0.000 0.457 134 S N 0.177 115.927 115.700 0.083 0.000 2.382 134 S HA -0.059 4.412 4.470 0.001 0.000 0.228 134 S C -0.457 174.183 174.600 0.067 0.000 1.027 134 S CA 0.643 58.914 58.200 0.119 0.000 0.991 134 S CB -1.767 61.496 63.200 0.106 0.000 0.823 134 S HN 0.228 nan 8.310 nan 0.000 0.469 135 P HA -0.011 nan 4.420 nan 0.000 0.224 135 P C 1.088 178.343 177.300 -0.075 0.000 1.142 135 P CA 1.186 64.274 63.100 -0.019 0.000 0.778 135 P CB -0.591 31.087 31.700 -0.038 0.000 0.764 136 T N -1.680 112.771 114.554 -0.171 0.000 2.849 136 T HA -0.101 4.250 4.350 0.001 0.000 0.270 136 T C 0.719 175.114 174.700 -0.509 0.000 1.066 136 T CA 1.180 63.027 62.100 -0.421 0.000 1.130 136 T CB -0.644 67.813 68.868 -0.685 0.000 0.864 136 T HN 0.220 nan 8.240 nan 0.000 0.481 137 F N 1.565 121.535 119.950 0.034 0.000 2.850 137 F HA 0.225 4.753 4.527 0.001 0.000 0.329 137 F C 0.983 176.804 175.800 0.036 0.000 1.182 137 F CA -1.067 56.951 58.000 0.031 0.000 1.270 137 F CB 0.134 39.160 39.000 0.043 0.000 0.979 137 F HN -0.021 nan 8.300 nan 0.000 0.506 138 T N -1.274 113.363 114.554 0.139 0.000 2.918 138 T HA 0.212 4.563 4.350 0.001 0.000 0.302 138 T C 0.590 175.330 174.700 0.067 0.000 1.045 138 T CA -0.831 61.322 62.100 0.088 0.000 1.114 138 T CB 1.206 70.095 68.868 0.035 0.000 0.965 138 T HN 0.219 nan 8.240 nan 0.000 0.540 139 S N 1.478 117.209 115.700 0.052 0.000 2.525 139 S HA 0.490 4.961 4.470 0.001 0.000 0.285 139 S C 1.468 176.008 174.600 -0.101 0.000 1.283 139 S CA -0.311 57.873 58.200 -0.027 0.000 1.072 139 S CB 0.120 63.346 63.200 0.044 0.000 0.867 139 S HN 1.844 nan 8.310 nan 0.000 0.492 140 G N 3.230 111.902 108.800 -0.213 0.000 2.792 140 G HA2 -0.228 3.732 3.960 0.001 0.000 0.201 140 G HA3 -0.228 3.732 3.960 0.001 0.000 0.201 140 G C 0.965 175.800 174.900 -0.109 0.000 1.322 140 G CA 0.002 45.012 45.100 -0.151 0.000 0.910 140 G HN 0.531 nan 8.290 nan 0.000 0.535 141 K N 0.829 121.194 120.400 -0.058 0.000 2.155 141 K HA 0.259 4.579 4.320 0.001 0.000 0.203 141 K C 2.616 179.222 176.600 0.011 0.000 1.052 141 K CA 1.146 57.418 56.287 -0.025 0.000 0.948 141 K CB -0.230 32.258 32.500 -0.020 0.000 0.728 141 K HN 0.521 nan 8.250 nan 0.000 0.448 142 L N 0.844 122.079 121.223 0.020 0.000 2.093 142 L HA -0.160 4.180 4.340 0.001 0.000 0.208 142 L C 2.344 179.213 176.870 -0.001 0.000 1.085 142 L CA 1.294 56.193 54.840 0.099 0.000 0.755 142 L CB -0.358 41.817 42.059 0.193 0.000 0.904 142 L HN 0.093 nan 8.230 nan 0.000 0.435 143 K N 0.220 120.465 120.400 -0.258 0.000 2.063 143 K HA -0.210 4.111 4.320 0.001 0.000 0.208 143 K C 2.005 178.584 176.600 -0.035 0.000 1.048 143 K CA 1.521 57.672 56.287 -0.227 0.000 0.928 143 K CB -0.130 32.169 32.500 -0.334 0.000 0.713 143 K HN 0.314 nan 8.250 nan 0.000 0.442 144 E N 0.300 120.484 120.200 -0.026 0.000 2.209 144 E HA -0.164 4.187 4.350 0.001 0.000 0.196 144 E C 1.809 178.443 176.600 0.057 0.000 0.993 144 E CA 1.125 57.533 56.400 0.013 0.000 0.819 144 E CB 0.003 29.704 29.700 0.000 0.000 0.745 144 E HN 0.325 nan 8.360 nan 0.000 0.477 145 M N -0.093 119.562 119.600 0.092 0.000 2.492 145 M HA -0.070 4.411 4.480 0.001 0.000 0.262 145 M C 2.056 178.455 176.300 0.166 0.000 1.090 145 M CA 0.478 55.865 55.300 0.144 0.000 1.110 145 M CB 0.300 33.024 32.600 0.207 0.000 1.407 145 M HN 0.020 nan 8.290 nan 0.000 0.470 146 V N 1.357 121.362 119.914 0.152 0.000 2.307 146 V HA -0.143 3.978 4.120 0.001 0.000 0.245 146 V C -0.407 175.766 176.094 0.132 0.000 1.045 146 V CA 1.776 64.170 62.300 0.158 0.000 1.024 146 V CB -2.159 29.763 31.823 0.164 0.000 0.651 146 V HN 0.309 nan 8.190 nan 0.000 0.449 147 P HA -0.085 nan 4.420 nan 0.000 0.221 147 P C 1.791 179.144 177.300 0.089 0.000 1.150 147 P CA 1.434 64.583 63.100 0.082 0.000 0.800 147 P CB 0.003 31.738 31.700 0.059 0.000 0.787 148 I N -0.786 119.853 120.570 0.116 0.000 2.286 148 I HA -0.157 4.014 4.170 0.001 0.000 0.245 148 I C 2.537 178.799 176.117 0.242 0.000 1.104 148 I CA 1.212 62.603 61.300 0.151 0.000 1.397 148 I CB -0.513 37.584 38.000 0.161 0.000 1.072 148 I HN -0.163 nan 8.210 nan 0.000 0.417 149 I N 0.988 121.711 120.570 0.255 0.000 2.439 149 I HA -0.193 3.978 4.170 0.001 0.000 0.251 149 I C 2.842 179.139 176.117 0.300 0.000 1.139 149 I CA 0.907 62.407 61.300 0.334 0.000 1.438 149 I CB -0.357 37.805 38.000 0.271 0.000 1.085 149 I HN 0.138 nan 8.210 nan 0.000 0.427 150 A N 0.328 123.261 122.820 0.188 0.000 1.903 150 A HA -0.350 3.970 4.320 0.001 0.000 0.219 150 A C 2.317 179.954 177.584 0.089 0.000 1.191 150 A CA 2.223 54.339 52.037 0.133 0.000 0.638 150 A CB -0.845 18.208 19.000 0.088 0.000 0.823 150 A HN 0.524 nan 8.150 nan 0.000 0.451 151 Q N -1.603 118.194 119.800 -0.005 0.000 2.077 151 Q HA -0.247 4.093 4.340 0.001 0.000 0.206 151 Q C 1.877 177.785 176.000 -0.152 0.000 0.989 151 Q CA 2.318 58.026 55.803 -0.158 0.000 0.853 151 Q CB -0.262 28.256 28.738 -0.367 0.000 0.907 151 Q HN 0.810 nan 8.270 nan 0.000 0.418 152 Y N -0.854 119.532 120.300 0.142 0.000 2.439 152 Y HA 0.040 4.591 4.550 0.001 0.000 0.292 152 Y C 2.321 178.396 175.900 0.292 0.000 1.130 152 Y CA 0.824 59.044 58.100 0.199 0.000 1.254 152 Y CB -0.656 37.906 38.460 0.169 0.000 1.000 152 Y HN 0.233 nan 8.280 nan 0.000 0.554 153 G N 0.134 109.167 108.800 0.387 0.000 2.422 153 G HA2 -0.240 3.720 3.960 0.001 0.000 0.218 153 G HA3 -0.240 3.720 3.960 0.001 0.000 0.218 153 G C 1.276 176.279 174.900 0.171 0.000 1.146 153 G CA 1.345 46.603 45.100 0.264 0.000 0.769 153 G HN 0.277 nan 8.290 nan 0.000 0.547 154 D N 0.370 120.849 120.400 0.132 0.000 2.117 154 D HA -0.088 4.553 4.640 0.001 0.000 0.198 154 D C 2.798 179.161 176.300 0.104 0.000 0.982 154 D CA 0.973 55.028 54.000 0.092 0.000 0.828 154 D CB -0.477 40.353 40.800 0.049 0.000 0.967 154 D HN 0.250 nan 8.370 nan 0.000 0.464 155 V N 1.181 121.169 119.914 0.123 0.000 2.626 155 V HA -0.169 3.951 4.120 0.001 0.000 0.252 155 V C 2.409 178.588 176.094 0.142 0.000 1.067 155 V CA 0.777 63.154 62.300 0.130 0.000 1.081 155 V CB -0.511 31.409 31.823 0.160 0.000 0.686 155 V HN 0.089 nan 8.190 nan 0.000 0.468 156 L N 1.496 122.824 121.223 0.175 0.000 1.988 156 L HA -0.109 4.232 4.340 0.001 0.000 0.207 156 L C 2.586 179.507 176.870 0.085 0.000 1.071 156 L CA 2.524 57.435 54.840 0.118 0.000 0.744 156 L CB -0.620 41.481 42.059 0.070 0.000 0.893 156 L HN 0.292 nan 8.230 nan 0.000 0.433 157 V N -2.316 117.688 119.914 0.150 0.000 2.469 157 V HA -0.226 3.895 4.120 0.001 0.000 0.251 157 V C 2.604 178.839 176.094 0.234 0.000 1.064 157 V CA 1.760 64.224 62.300 0.274 0.000 1.066 157 V CB -1.098 30.883 31.823 0.263 0.000 0.667 157 V HN 0.471 nan 8.190 nan 0.000 0.461 158 R N 0.778 121.360 120.500 0.135 0.000 2.070 158 R HA -0.103 4.238 4.340 0.001 0.000 0.233 158 R C 2.375 178.703 176.300 0.045 0.000 1.137 158 R CA 1.850 58.008 56.100 0.096 0.000 0.945 158 R CB -0.590 29.753 30.300 0.071 0.000 0.845 158 R HN 0.572 nan 8.270 nan 0.000 0.430 159 N N 0.796 119.505 118.700 0.015 0.000 2.166 159 N HA -0.144 4.597 4.740 0.001 0.000 0.186 159 N C 1.718 177.159 175.510 -0.115 0.000 1.019 159 N CA 1.067 54.097 53.050 -0.034 0.000 0.856 159 N CB -0.255 38.216 38.487 -0.026 0.000 0.993 159 N HN 0.060 nan 8.380 nan 0.000 0.426 160 L N 0.906 122.011 121.223 -0.197 0.000 2.156 160 L HA 0.043 4.383 4.340 0.001 0.000 0.208 160 L C 2.388 178.959 176.870 -0.498 0.000 1.095 160 L CA 1.057 55.639 54.840 -0.431 0.000 0.770 160 L CB -0.532 41.124 42.059 -0.671 0.000 0.914 160 L HN 0.101 nan 8.230 nan 0.000 0.439 161 R N -0.433 119.924 120.500 -0.239 0.000 2.091 161 R HA -0.162 4.179 4.340 0.001 0.000 0.238 161 R C 2.417 178.698 176.300 -0.031 0.000 1.136 161 R CA 1.370 57.486 56.100 0.028 0.000 0.959 161 R CB -0.078 30.377 30.300 0.259 0.000 0.856 161 R HN 0.246 nan 8.270 nan 0.000 0.437 162 R N 0.076 120.549 120.500 -0.044 0.000 2.117 162 R HA -0.148 4.192 4.340 0.001 0.000 0.243 162 R C 1.948 178.203 176.300 -0.075 0.000 1.143 162 R CA 1.718 57.791 56.100 -0.044 0.000 0.968 162 R CB -0.102 30.175 30.300 -0.038 0.000 0.863 162 R HN 0.340 nan 8.270 nan 0.000 0.444 163 E N -0.193 119.928 120.200 -0.132 0.000 2.299 163 E HA -0.028 4.323 4.350 0.001 0.000 0.193 163 E C 1.740 178.244 176.600 -0.159 0.000 0.998 163 E CA 0.825 57.137 56.400 -0.147 0.000 0.851 163 E CB 0.119 29.707 29.700 -0.186 0.000 0.795 163 E HN 0.345 nan 8.360 nan 0.000 0.492 164 A N 1.516 124.228 122.820 -0.180 0.000 2.016 164 A HA -0.097 4.224 4.320 0.001 0.000 0.217 164 A C 1.956 179.509 177.584 -0.052 0.000 1.162 164 A CA 0.701 52.659 52.037 -0.130 0.000 0.662 164 A CB 0.022 18.970 19.000 -0.087 0.000 0.812 164 A HN -0.017 nan 8.150 nan 0.000 0.450 165 E N 0.177 120.355 120.200 -0.035 0.000 2.028 165 E HA -0.130 4.221 4.350 0.001 0.000 0.190 165 E C 2.343 178.927 176.600 -0.027 0.000 0.984 165 E CA 1.972 58.362 56.400 -0.017 0.000 0.800 165 E CB -1.229 28.468 29.700 -0.006 0.000 0.758 165 E HN 0.748 nan 8.360 nan 0.000 0.448 166 T N -2.108 112.424 114.554 -0.036 0.000 2.881 166 T HA 0.004 4.355 4.350 0.001 0.000 0.270 166 T C 1.694 176.371 174.700 -0.038 0.000 1.068 166 T CA 1.626 63.706 62.100 -0.034 0.000 1.131 166 T CB -0.283 68.563 68.868 -0.037 0.000 0.871 166 T HN 0.345 nan 8.240 nan 0.000 0.479 167 G N 0.780 109.549 108.800 -0.052 0.000 2.179 167 G HA2 -0.072 3.888 3.960 0.001 0.000 0.260 167 G HA3 -0.072 3.888 3.960 0.001 0.000 0.260 167 G C 0.304 175.170 174.900 -0.057 0.000 0.977 167 G CA 0.664 45.731 45.100 -0.054 0.000 0.641 167 G HN 1.100 nan 8.290 nan 0.000 0.533 168 K N 1.363 121.729 120.400 -0.057 0.000 2.355 168 K HA 0.643 4.964 4.320 0.001 0.000 0.270 168 K C -1.038 175.524 176.600 -0.062 0.000 1.003 168 K CA -0.488 55.768 56.287 -0.051 0.000 0.957 168 K CB -0.516 31.956 32.500 -0.046 0.000 0.939 168 K HN 0.366 nan 8.250 nan 0.000 0.482 169 P HA 0.214 nan 4.420 nan 0.000 0.269 169 P C -0.826 176.445 177.300 -0.048 0.000 1.215 169 P CA -0.310 62.766 63.100 -0.040 0.000 0.780 169 P CB 0.711 32.398 31.700 -0.022 0.000 0.898 170 V N 2.182 122.071 119.914 -0.041 0.000 2.448 170 V HA 0.237 4.358 4.120 0.001 0.000 0.295 170 V C 0.595 176.673 176.094 -0.026 0.000 1.025 170 V CA -0.540 61.731 62.300 -0.049 0.000 0.859 170 V CB 1.490 33.273 31.823 -0.066 0.000 0.988 170 V HN 0.659 nan 8.190 nan 0.000 0.431 171 T N 3.223 117.756 114.554 -0.036 0.000 2.855 171 T HA 0.376 4.727 4.350 0.001 0.000 0.290 171 T C 1.209 175.879 174.700 -0.049 0.000 0.941 171 T CA -0.325 61.756 62.100 -0.031 0.000 1.030 171 T CB 0.109 68.963 68.868 -0.024 0.000 0.935 171 T HN 0.401 nan 8.240 nan 0.000 0.564 172 L N 1.377 122.572 121.223 -0.046 0.000 2.079 172 L HA -0.115 4.226 4.340 0.001 0.000 0.210 172 L C 2.744 179.599 176.870 -0.026 0.000 1.081 172 L CA 1.246 56.041 54.840 -0.074 0.000 0.752 172 L CB -0.415 41.656 42.059 0.020 0.000 0.896 172 L HN 0.519 nan 8.230 nan 0.000 0.433 173 K N 0.092 120.481 120.400 -0.018 0.000 2.211 173 K HA -0.194 4.126 4.320 0.001 0.000 0.204 173 K C 1.527 178.148 176.600 0.035 0.000 1.047 173 K CA 1.379 57.659 56.287 -0.012 0.000 0.935 173 K CB -0.037 32.429 32.500 -0.058 0.000 0.728 173 K HN 0.260 nan 8.250 nan 0.000 0.452 174 D N -0.801 119.606 120.400 0.011 0.000 2.149 174 D HA -0.104 4.536 4.640 0.001 0.000 0.201 174 D C 1.767 178.083 176.300 0.026 0.000 0.972 174 D CA 1.514 55.531 54.000 0.029 0.000 0.835 174 D CB 0.079 40.880 40.800 0.002 0.000 0.966 174 D HN 0.235 nan 8.370 nan 0.000 0.476 175 V N -2.134 117.749 119.914 -0.051 0.000 2.575 175 V HA 0.088 4.208 4.120 0.001 0.000 0.242 175 V C 2.165 178.250 176.094 -0.015 0.000 1.045 175 V CA 0.583 62.825 62.300 -0.095 0.000 1.065 175 V CB -1.124 30.546 31.823 -0.255 0.000 0.717 175 V HN -0.007 nan 8.190 nan 0.000 0.467 176 F N 2.292 122.259 119.950 0.028 0.000 2.325 176 F HA 0.156 4.684 4.527 0.001 0.000 0.299 176 F C 2.564 178.423 175.800 0.099 0.000 1.090 176 F CA 0.953 58.980 58.000 0.046 0.000 1.392 176 F CB -0.393 38.567 39.000 -0.067 0.000 1.053 176 F HN 0.305 nan 8.300 nan 0.000 0.521 177 G N 0.005 108.950 108.800 0.242 0.000 2.434 177 G HA2 -0.221 3.740 3.960 0.001 0.000 0.214 177 G HA3 -0.221 3.740 3.960 0.001 0.000 0.214 177 G C 1.884 176.985 174.900 0.336 0.000 1.202 177 G CA 0.760 46.014 45.100 0.257 0.000 0.788 177 G HN 0.378 nan 8.290 nan 0.000 0.539 178 A N 0.084 123.053 122.820 0.248 0.000 1.917 178 A HA -0.156 4.164 4.320 0.001 0.000 0.219 178 A C 2.231 179.918 177.584 0.171 0.000 1.182 178 A CA 1.986 54.130 52.037 0.178 0.000 0.633 178 A CB -0.789 18.291 19.000 0.134 0.000 0.819 178 A HN 0.598 nan 8.150 nan 0.000 0.448 179 Y N 0.978 121.347 120.300 0.115 0.000 2.200 179 Y HA -0.172 4.379 4.550 0.001 0.000 0.290 179 Y C 2.670 178.607 175.900 0.062 0.000 1.137 179 Y CA 1.866 60.030 58.100 0.107 0.000 1.163 179 Y CB -0.323 38.248 38.460 0.184 0.000 0.988 179 Y HN 0.291 nan 8.280 nan 0.000 0.518 180 S N 0.417 116.128 115.700 0.019 0.000 2.368 180 S HA -0.237 4.234 4.470 0.001 0.000 0.225 180 S C 1.929 176.487 174.600 -0.070 0.000 1.030 180 S CA 1.651 59.794 58.200 -0.095 0.000 0.999 180 S CB -0.505 62.702 63.200 0.011 0.000 0.844 180 S HN 0.568 nan 8.310 nan 0.000 0.459 181 M N 2.187 121.822 119.600 0.059 0.000 2.117 181 M HA -0.077 4.403 4.480 0.001 0.000 0.262 181 M C 1.311 177.534 176.300 -0.128 0.000 1.065 181 M CA 1.538 56.864 55.300 0.043 0.000 1.114 181 M CB -0.738 31.911 32.600 0.082 0.000 1.361 181 M HN 0.022 nan 8.290 nan 0.000 0.408 182 D N -0.692 119.560 120.400 -0.247 0.000 2.117 182 D HA -0.127 4.513 4.640 0.001 0.000 0.197 182 D C 2.109 177.954 176.300 -0.759 0.000 0.987 182 D CA 1.507 55.193 54.000 -0.524 0.000 0.829 182 D CB -0.183 40.277 40.800 -0.567 0.000 0.961 182 D HN 0.273 nan 8.370 nan 0.000 0.460 183 V N 1.462 120.990 119.914 -0.644 0.000 2.343 183 V HA -0.190 3.931 4.120 0.001 0.000 0.247 183 V C 2.387 178.407 176.094 -0.123 0.000 1.051 183 V CA 0.935 62.979 62.300 -0.427 0.000 1.036 183 V CB -0.046 31.508 31.823 -0.450 0.000 0.654 183 V HN 0.253 nan 8.190 nan 0.000 0.451 184 I N 0.688 121.234 120.570 -0.041 0.000 2.876 184 I HA -0.113 4.058 4.170 0.001 0.000 0.264 184 I C 2.486 178.635 176.117 0.054 0.000 1.204 184 I CA 1.858 63.195 61.300 0.062 0.000 1.485 184 I CB -0.563 37.525 38.000 0.147 0.000 1.103 184 I HN 0.559 nan 8.210 nan 0.000 0.446 185 T N -1.444 113.139 114.554 0.050 0.000 2.809 185 T HA -0.105 4.245 4.350 0.001 0.000 0.260 185 T C 2.089 176.881 174.700 0.153 0.000 1.039 185 T CA 1.367 63.578 62.100 0.186 0.000 1.141 185 T CB -0.683 68.165 68.868 -0.033 0.000 0.869 185 T HN 0.394 nan 8.240 nan 0.000 0.437 186 S N 2.311 118.021 115.700 0.017 0.000 2.387 186 S HA -0.135 4.336 4.470 0.001 0.000 0.226 186 S C 2.339 176.976 174.600 0.063 0.000 1.026 186 S CA 1.442 59.688 58.200 0.078 0.000 0.972 186 S CB -1.498 61.794 63.200 0.154 0.000 0.814 186 S HN 0.780 nan 8.310 nan 0.000 0.477 187 T N -0.621 113.943 114.554 0.016 0.000 2.951 187 T HA 0.115 4.466 4.350 0.001 0.000 0.268 187 T C 1.819 176.449 174.700 -0.117 0.000 1.073 187 T CA 1.199 63.288 62.100 -0.018 0.000 1.134 187 T CB -0.464 68.400 68.868 -0.005 0.000 0.884 187 T HN 0.414 nan 8.240 nan 0.000 0.479 188 S N 0.249 115.823 115.700 -0.209 0.000 2.499 188 S HA 0.361 4.832 4.470 0.001 0.000 0.225 188 S C 0.919 175.185 174.600 -0.556 0.000 1.050 188 S CA -0.121 57.811 58.200 -0.446 0.000 0.928 188 S CB -0.095 62.658 63.200 -0.745 0.000 0.803 188 S HN 0.583 nan 8.310 nan 0.000 0.506 189 F N 0.710 120.704 119.950 0.073 0.000 2.746 189 F HA 0.394 4.922 4.527 0.001 0.000 0.320 189 F C 1.503 177.316 175.800 0.022 0.000 1.097 189 F CA -0.091 57.937 58.000 0.047 0.000 1.195 189 F CB 0.306 39.335 39.000 0.048 0.000 1.056 189 F HN 0.231 nan 8.300 nan 0.000 0.562 190 G N 2.015 110.900 108.800 0.142 0.000 2.295 190 G HA2 -0.209 3.752 3.960 0.001 0.000 0.287 190 G HA3 -0.209 3.752 3.960 0.001 0.000 0.287 190 G C -0.522 174.444 174.900 0.111 0.000 1.055 190 G CA 0.257 45.419 45.100 0.102 0.000 0.922 190 G HN 0.216 nan 8.290 nan 0.000 0.503 191 V N -0.000 119.990 119.914 0.127 0.000 2.686 191 V HA 0.512 4.633 4.120 0.001 0.000 0.306 191 V C -0.143 175.998 176.094 0.079 0.000 1.065 191 V CA -1.045 61.307 62.300 0.088 0.000 0.894 191 V CB 2.129 33.990 31.823 0.064 0.000 1.004 191 V HN 0.419 nan 8.190 nan 0.000 0.424 192 N N 3.888 122.640 118.700 0.086 0.000 2.558 192 N HA 0.279 5.019 4.740 0.001 0.000 0.233 192 N C 0.702 176.242 175.510 0.050 0.000 1.038 192 N CA -0.511 52.615 53.050 0.127 0.000 0.934 192 N CB 0.669 39.256 38.487 0.168 0.000 1.175 192 N HN 0.729 nan 8.380 nan 0.000 0.512 193 I N -0.906 119.638 120.570 -0.043 0.000 3.564 193 I HA 0.243 4.413 4.170 0.001 0.000 0.294 193 I C 0.109 176.222 176.117 -0.007 0.000 1.289 193 I CA -0.067 61.165 61.300 -0.112 0.000 1.325 193 I CB -0.584 37.141 38.000 -0.459 0.000 1.039 193 I HN 0.387 nan 8.210 nan 0.000 0.474 194 D N 1.412 121.856 120.400 0.073 0.000 2.802 194 D HA -0.252 4.388 4.640 0.001 0.000 0.229 194 D C 1.290 177.645 176.300 0.092 0.000 1.203 194 D CA 0.811 54.888 54.000 0.128 0.000 0.712 194 D CB -0.306 40.561 40.800 0.113 0.000 0.973 194 D HN 0.459 nan 8.370 nan 0.000 0.407 195 S N 0.472 116.212 115.700 0.066 0.000 2.461 195 S HA -0.040 4.430 4.470 0.001 0.000 0.228 195 S C 1.549 176.203 174.600 0.089 0.000 1.005 195 S CA 0.155 58.395 58.200 0.066 0.000 0.942 195 S CB 0.047 63.268 63.200 0.035 0.000 0.776 195 S HN 0.446 nan 8.310 nan 0.000 0.514 196 L N 2.161 123.457 121.223 0.121 0.000 2.376 196 L HA 0.217 4.558 4.340 0.001 0.000 0.219 196 L C 1.462 178.391 176.870 0.099 0.000 1.133 196 L CA 1.296 56.216 54.840 0.134 0.000 0.816 196 L CB -0.736 41.445 42.059 0.203 0.000 0.933 196 L HN 0.295 nan 8.230 nan 0.000 0.449 197 N N -1.079 117.675 118.700 0.090 0.000 2.348 197 N HA 0.053 4.794 4.740 0.001 0.000 0.183 197 N C -0.076 175.467 175.510 0.055 0.000 1.094 197 N CA 0.100 53.190 53.050 0.066 0.000 0.885 197 N CB 0.147 38.672 38.487 0.064 0.000 1.065 197 N HN 0.247 nan 8.380 nan 0.000 0.472 198 N N 1.880 120.617 118.700 0.062 0.000 2.420 198 N HA 0.213 4.954 4.740 0.001 0.000 0.249 198 N C -1.801 173.738 175.510 0.048 0.000 1.033 198 N CA -1.355 51.728 53.050 0.055 0.000 0.944 198 N CB 1.549 40.077 38.487 0.067 0.000 1.113 198 N HN 0.049 nan 8.380 nan 0.000 0.502 199 P HA -0.043 nan 4.420 nan 0.000 0.222 199 P C -0.071 177.241 177.300 0.020 0.000 1.153 199 P CA 1.006 64.121 63.100 0.026 0.000 0.798 199 P CB 0.438 32.147 31.700 0.016 0.000 0.796 200 Q N -0.034 119.778 119.800 0.019 0.000 2.640 200 Q HA 0.113 4.454 4.340 0.001 0.000 0.389 200 Q C -0.274 175.736 176.000 0.015 0.000 1.012 200 Q CA -0.303 55.504 55.803 0.006 0.000 1.060 200 Q CB 0.057 28.795 28.738 -0.000 0.000 1.332 200 Q HN 0.221 nan 8.270 nan 0.000 0.418 201 D N 1.700 122.122 120.400 0.036 0.000 2.390 201 D HA 0.021 4.662 4.640 0.001 0.000 0.249 201 D C -1.406 174.921 176.300 0.044 0.000 1.144 201 D CA -1.670 52.379 54.000 0.082 0.000 0.880 201 D CB 1.472 42.343 40.800 0.119 0.000 1.182 201 D HN 0.124 nan 8.370 nan 0.000 0.451 202 P HA -0.143 nan 4.420 nan 0.000 0.218 202 P C 1.373 178.518 177.300 -0.258 0.000 1.149 202 P CA 0.874 63.845 63.100 -0.214 0.000 0.817 202 P CB -0.043 31.555 31.700 -0.171 0.000 0.785 203 F N -0.522 119.456 119.950 0.047 0.000 2.451 203 F HA -0.090 4.438 4.527 0.001 0.000 0.299 203 F C 2.256 177.995 175.800 -0.101 0.000 1.101 203 F CA 0.878 58.940 58.000 0.102 0.000 1.436 203 F CB -0.639 38.427 39.000 0.111 0.000 1.074 203 F HN -0.235 nan 8.300 nan 0.000 0.553 204 V N -1.641 118.255 119.914 -0.030 0.000 2.922 204 V HA -0.030 4.091 4.120 0.001 0.000 0.242 204 V C 2.091 178.047 176.094 -0.229 0.000 1.094 204 V CA 0.677 62.822 62.300 -0.259 0.000 1.106 204 V CB -0.241 31.473 31.823 -0.181 0.000 0.799 204 V HN 0.047 nan 8.190 nan 0.000 0.474 205 E N 1.172 121.274 120.200 -0.163 0.000 2.051 205 E HA -0.174 4.177 4.350 0.001 0.000 0.192 205 E C 2.016 178.524 176.600 -0.154 0.000 0.991 205 E CA 1.278 57.588 56.400 -0.150 0.000 0.799 205 E CB -0.424 29.172 29.700 -0.173 0.000 0.748 205 E HN 0.562 nan 8.360 nan 0.000 0.449 206 N N 0.159 118.717 118.700 -0.236 0.000 2.188 206 N HA -0.073 4.668 4.740 0.001 0.000 0.184 206 N C 1.815 177.318 175.510 -0.011 0.000 1.018 206 N CA 1.394 54.340 53.050 -0.174 0.000 0.858 206 N CB -0.212 38.077 38.487 -0.329 0.000 0.989 206 N HN 0.149 nan 8.380 nan 0.000 0.426 207 T N 1.651 116.200 114.554 -0.009 0.000 2.904 207 T HA -0.096 4.255 4.350 0.001 0.000 0.267 207 T C 1.916 176.757 174.700 0.234 0.000 1.059 207 T CA 1.141 63.315 62.100 0.125 0.000 1.137 207 T CB 0.026 68.911 68.868 0.028 0.000 0.879 207 T HN 0.476 nan 8.240 nan 0.000 0.467 208 K N 1.635 122.079 120.400 0.072 0.000 2.288 208 K HA 0.043 4.364 4.320 0.001 0.000 0.201 208 K C 1.393 178.118 176.600 0.209 0.000 1.048 208 K CA 1.126 57.544 56.287 0.218 0.000 0.956 208 K CB -0.037 32.553 32.500 0.151 0.000 0.746 208 K HN 0.053 nan 8.250 nan 0.000 0.461 209 K N 0.669 121.152 120.400 0.137 0.000 3.041 209 K HA 0.120 4.441 4.320 0.001 0.000 0.243 209 K C 0.153 176.847 176.600 0.157 0.000 1.167 209 K CA -0.208 56.150 56.287 0.117 0.000 1.235 209 K CB 0.340 32.875 32.500 0.058 0.000 1.205 209 K HN 0.106 nan 8.250 nan 0.000 0.448 210 L N -0.387 120.962 121.223 0.209 0.000 2.653 210 L HA 0.223 4.564 4.340 0.001 0.000 0.230 210 L C 0.881 177.871 176.870 0.201 0.000 1.055 210 L CA 0.815 55.765 54.840 0.183 0.000 0.880 210 L CB 0.324 42.408 42.059 0.041 0.000 1.195 210 L HN 0.191 nan 8.230 nan 0.000 0.492 211 L N -1.469 119.839 121.223 0.141 0.000 2.415 211 L HA 0.204 4.545 4.340 0.001 0.000 0.194 211 L C 1.459 178.295 176.870 -0.056 0.000 1.256 211 L CA -0.314 54.555 54.840 0.048 0.000 1.974 211 L CB -0.140 41.896 42.059 -0.039 0.000 1.753 211 L HN 0.008 nan 8.230 nan 0.000 0.948 212 R N -0.913 119.449 120.500 -0.229 0.000 4.002 212 R HA -0.277 4.064 4.340 0.001 0.000 0.443 212 R C 1.457 177.611 176.300 -0.244 0.000 0.770 212 R CA 1.825 57.819 56.100 -0.177 0.000 1.648 212 R CB -2.569 27.729 30.300 -0.003 0.000 2.287 212 R HN 0.549 nan 8.270 nan 0.000 0.454 213 F N 1.267 121.188 119.950 -0.047 0.000 2.141 213 F HA -0.146 4.382 4.527 0.001 0.000 0.300 213 F C 0.944 176.681 175.800 -0.106 0.000 1.079 213 F CA 1.279 59.193 58.000 -0.144 0.000 1.264 213 F CB -0.477 38.093 39.000 -0.716 0.000 1.011 213 F HN 0.099 nan 8.300 nan 0.000 0.487 214 D N -0.345 120.083 120.400 0.047 0.000 5.377 214 D HA -0.248 4.393 4.640 0.001 0.000 0.315 214 D C -0.145 176.297 176.300 0.236 0.000 2.498 214 D CA 1.273 55.360 54.000 0.145 0.000 1.245 214 D CB -0.554 40.280 40.800 0.056 0.000 1.150 214 D HN 0.362 nan 8.370 nan 0.000 1.307 215 F N -0.302 119.711 119.950 0.105 0.000 2.418 215 F HA 0.427 4.955 4.527 0.001 0.000 0.341 215 F C 1.620 177.479 175.800 0.098 0.000 1.120 215 F CA -1.042 57.005 58.000 0.079 0.000 1.232 215 F CB 0.358 39.377 39.000 0.031 0.000 1.175 215 F HN 0.368 nan 8.300 nan 0.000 0.569 216 L N 0.927 122.200 121.223 0.083 0.000 4.367 216 L HA -0.252 4.089 4.340 0.001 0.000 0.424 216 L C 0.086 176.934 176.870 -0.035 0.000 1.152 216 L CA 1.085 55.936 54.840 0.018 0.000 0.974 216 L CB -2.140 39.952 42.059 0.054 0.000 2.012 216 L HN 0.972 nan 8.230 nan 0.000 0.922 217 D N 1.981 122.399 120.400 0.030 0.000 2.412 217 D HA 0.084 4.725 4.640 0.001 0.000 0.257 217 D C -0.874 175.527 176.300 0.169 0.000 1.217 217 D CA -1.168 52.909 54.000 0.128 0.000 0.897 217 D CB 1.154 42.142 40.800 0.314 0.000 1.132 217 D HN 0.164 nan 8.370 nan 0.000 0.493 218 P HA -0.149 nan 4.420 nan 0.000 0.226 218 P C 1.383 178.737 177.300 0.091 0.000 1.146 218 P CA 0.579 63.728 63.100 0.081 0.000 0.773 218 P CB 0.030 31.768 31.700 0.064 0.000 0.772 219 F N 0.133 120.083 119.950 -0.001 0.000 2.053 219 F HA -0.077 4.451 4.527 0.001 0.000 0.292 219 F C 2.140 177.845 175.800 -0.159 0.000 1.125 219 F CA 1.454 59.386 58.000 -0.114 0.000 1.193 219 F CB -0.812 38.066 39.000 -0.203 0.000 0.996 219 F HN -0.310 nan 8.300 nan 0.000 0.470 220 F N -0.022 119.993 119.950 0.108 0.000 2.216 220 F HA -0.165 4.362 4.527 0.001 0.000 0.300 220 F C 2.117 177.852 175.800 -0.109 0.000 1.085 220 F CA 0.972 58.954 58.000 -0.030 0.000 1.326 220 F CB -0.842 38.181 39.000 0.039 0.000 1.027 220 F HN 0.070 nan 8.300 nan 0.000 0.497 221 L N -0.385 120.899 121.223 0.102 0.000 2.046 221 L HA -0.188 4.152 4.340 0.001 0.000 0.208 221 L C 2.343 179.129 176.870 -0.140 0.000 1.077 221 L CA 1.793 56.638 54.840 0.009 0.000 0.747 221 L CB -1.004 41.071 42.059 0.028 0.000 0.896 221 L HN -0.051 nan 8.230 nan 0.000 0.432 222 S N -0.749 114.830 115.700 -0.202 0.000 2.423 222 S HA -0.049 4.422 4.470 0.001 0.000 0.231 222 S C 1.992 176.375 174.600 -0.363 0.000 1.014 222 S CA 1.317 59.335 58.200 -0.304 0.000 0.965 222 S CB -0.298 62.790 63.200 -0.188 0.000 0.785 222 S HN 0.440 nan 8.310 nan 0.000 0.495 223 I N 1.230 121.577 120.570 -0.372 0.000 2.500 223 I HA -0.113 4.058 4.170 0.001 0.000 0.252 223 I C 2.106 178.091 176.117 -0.219 0.000 1.142 223 I CA 0.949 62.032 61.300 -0.362 0.000 1.451 223 I CB -0.180 37.508 38.000 -0.519 0.000 1.093 223 I HN 0.256 nan 8.210 nan 0.000 0.430 224 T N -0.112 114.357 114.554 -0.142 0.000 2.857 224 T HA -0.076 4.275 4.350 0.001 0.000 0.266 224 T C 1.855 176.494 174.700 -0.101 0.000 1.048 224 T CA 1.023 63.092 62.100 -0.051 0.000 1.139 224 T CB 0.025 68.917 68.868 0.040 0.000 0.874 224 T HN 0.100 nan 8.240 nan 0.000 0.455 225 V N 0.027 119.783 119.914 -0.263 0.000 2.500 225 V HA 0.177 4.298 4.120 0.001 0.000 0.243 225 V C 0.491 176.296 176.094 -0.482 0.000 1.039 225 V CA 0.950 63.017 62.300 -0.389 0.000 1.053 225 V CB -0.299 31.150 31.823 -0.624 0.000 0.695 225 V HN 0.459 nan 8.190 nan 0.000 0.463 226 F N 1.546 121.284 119.950 -0.354 0.000 2.366 226 F HA 0.388 4.915 4.527 0.001 0.000 0.357 226 F C -1.691 173.606 175.800 -0.840 0.000 1.107 226 F CA -1.863 55.581 58.000 -0.927 0.000 1.208 226 F CB 0.976 39.350 39.000 -1.042 0.000 1.464 226 F HN 0.094 nan 8.300 nan 0.000 0.501 227 P HA -0.116 nan 4.420 nan 0.000 0.241 227 P C 1.261 178.481 177.300 -0.133 0.000 1.191 227 P CA 0.647 63.622 63.100 -0.208 0.000 0.771 227 P CB -0.275 31.386 31.700 -0.065 0.000 0.929 228 F N -2.046 117.948 119.950 0.073 0.000 2.604 228 F HA 0.060 4.587 4.527 0.001 0.000 0.298 228 F C 1.584 177.388 175.800 0.007 0.000 1.131 228 F CA 0.231 58.252 58.000 0.035 0.000 1.457 228 F CB -1.769 37.253 39.000 0.037 0.000 1.095 228 F HN -0.270 nan 8.300 nan 0.000 0.574 229 L N 0.872 122.086 121.223 -0.014 0.000 2.217 229 L HA -0.024 4.317 4.340 0.001 0.000 0.211 229 L C 2.342 179.192 176.870 -0.033 0.000 1.107 229 L CA 0.822 55.670 54.840 0.013 0.000 0.783 229 L CB -0.950 41.057 42.059 -0.086 0.000 0.919 229 L HN 0.213 nan 8.230 nan 0.000 0.442 230 I N 0.179 120.701 120.570 -0.080 0.000 2.145 230 I HA -0.322 3.849 4.170 0.001 0.000 0.244 230 I C -0.240 175.852 176.117 -0.042 0.000 1.075 230 I CA 1.602 62.846 61.300 -0.093 0.000 1.332 230 I CB -1.636 36.298 38.000 -0.110 0.000 1.033 230 I HN 0.231 nan 8.210 nan 0.000 0.410 231 P HA -0.197 nan 4.420 nan 0.000 0.215 231 P C 1.764 179.070 177.300 0.008 0.000 1.157 231 P CA 1.749 64.855 63.100 0.010 0.000 0.874 231 P CB -0.134 31.585 31.700 0.032 0.000 0.790 232 I N -1.925 118.654 120.570 0.015 0.000 2.179 232 I HA -0.227 3.944 4.170 0.001 0.000 0.242 232 I C 2.358 178.478 176.117 0.006 0.000 1.088 232 I CA 1.430 62.738 61.300 0.013 0.000 1.357 232 I CB -1.169 36.843 38.000 0.019 0.000 1.051 232 I HN -0.140 nan 8.210 nan 0.000 0.409 233 L N 0.485 121.705 121.223 -0.005 0.000 2.042 233 L HA -0.224 4.117 4.340 0.001 0.000 0.210 233 L C 2.667 179.537 176.870 -0.001 0.000 1.076 233 L CA 1.441 56.280 54.840 -0.000 0.000 0.749 233 L CB -0.585 41.467 42.059 -0.012 0.000 0.893 233 L HN 0.237 nan 8.230 nan 0.000 0.432 234 E N -0.087 120.106 120.200 -0.011 0.000 2.077 234 E HA -0.171 4.180 4.350 0.001 0.000 0.193 234 E C 2.140 178.747 176.600 0.011 0.000 0.989 234 E CA 1.082 57.480 56.400 -0.005 0.000 0.800 234 E CB -0.023 29.671 29.700 -0.010 0.000 0.746 234 E HN 0.194 nan 8.360 nan 0.000 0.452 235 V N 0.553 120.473 119.914 0.011 0.000 2.515 235 V HA -0.169 3.952 4.120 0.001 0.000 0.250 235 V C 1.875 177.978 176.094 0.015 0.000 1.058 235 V CA 1.208 63.516 62.300 0.014 0.000 1.064 235 V CB -0.328 31.502 31.823 0.012 0.000 0.675 235 V HN 0.342 nan 8.190 nan 0.000 0.461 236 L N 0.290 121.521 121.223 0.014 0.000 2.627 236 L HA 0.204 4.544 4.340 0.001 0.000 0.232 236 L C 1.020 177.901 176.870 0.018 0.000 1.150 236 L CA 0.193 55.042 54.840 0.015 0.000 0.917 236 L CB -0.772 41.296 42.059 0.015 0.000 1.104 236 L HN 0.446 nan 8.230 nan 0.000 0.445 237 N N 1.136 119.848 118.700 0.022 0.000 2.735 237 N HA -0.182 4.559 4.740 0.001 0.000 0.248 237 N C -0.200 175.325 175.510 0.025 0.000 1.083 237 N CA 0.500 53.568 53.050 0.030 0.000 0.703 237 N CB -0.600 37.906 38.487 0.032 0.000 1.005 237 N HN 0.132 nan 8.380 nan 0.000 0.550 238 I N 0.211 120.791 120.570 0.016 0.000 2.472 238 I HA 0.246 4.417 4.170 0.001 0.000 0.290 238 I C 1.061 177.166 176.117 -0.020 0.000 1.016 238 I CA -0.395 60.908 61.300 0.004 0.000 1.348 238 I CB 1.256 39.278 38.000 0.037 0.000 1.417 238 I HN 0.250 nan 8.210 nan 0.000 0.521 239 C N 5.790 125.049 119.300 -0.069 0.000 2.686 239 C HA 0.400 4.860 4.460 0.001 0.000 0.318 239 C C 1.638 176.469 174.990 -0.264 0.000 1.160 239 C CA -0.489 58.460 59.018 -0.115 0.000 1.396 239 C CB 1.282 29.034 27.740 0.020 0.000 1.924 239 C HN 0.722 nan 8.230 nan 0.000 0.471 240 V N 3.453 123.112 119.914 -0.425 0.000 2.324 240 V HA -0.127 3.994 4.120 0.001 0.000 0.250 240 V C 0.866 176.776 176.094 -0.306 0.000 1.060 240 V CA 1.776 63.785 62.300 -0.485 0.000 1.042 240 V CB -0.629 30.869 31.823 -0.541 0.000 0.650 240 V HN 0.754 nan 8.190 nan 0.000 0.450 241 F N 0.485 120.478 119.950 0.071 0.000 2.412 241 F HA 0.387 4.915 4.527 0.001 0.000 0.348 241 F C -1.868 173.965 175.800 0.056 0.000 1.102 241 F CA -2.782 55.272 58.000 0.090 0.000 1.196 241 F CB -0.494 38.570 39.000 0.106 0.000 1.144 241 F HN -0.026 nan 8.300 nan 0.000 0.541 242 P HA 0.046 nan 4.420 nan 0.000 0.264 242 P C 0.430 177.821 177.300 0.152 0.000 1.193 242 P CA 0.042 63.220 63.100 0.130 0.000 0.763 242 P CB 0.682 32.445 31.700 0.105 0.000 0.810 243 R N 2.439 123.003 120.500 0.108 0.000 2.115 243 R HA -0.173 4.168 4.340 0.001 0.000 0.226 243 R C 1.911 178.263 176.300 0.085 0.000 1.100 243 R CA 1.232 57.397 56.100 0.108 0.000 0.980 243 R CB -0.158 30.185 30.300 0.071 0.000 0.875 243 R HN 0.456 nan 8.270 nan 0.000 0.445 244 E N -0.161 120.079 120.200 0.066 0.000 2.049 244 E HA -0.188 4.163 4.350 0.001 0.000 0.198 244 E C 1.660 178.305 176.600 0.076 0.000 1.007 244 E CA 1.999 58.430 56.400 0.052 0.000 0.809 244 E CB -0.234 29.482 29.700 0.026 0.000 0.749 244 E HN 0.111 nan 8.360 nan 0.000 0.450 245 V N 0.511 120.477 119.914 0.086 0.000 2.358 245 V HA -0.254 3.867 4.120 0.001 0.000 0.246 245 V C 2.467 178.653 176.094 0.154 0.000 1.047 245 V CA 2.249 64.611 62.300 0.104 0.000 1.035 245 V CB -0.963 30.919 31.823 0.100 0.000 0.658 245 V HN 0.591 nan 8.190 nan 0.000 0.452 246 T N -1.764 112.888 114.554 0.163 0.000 2.867 246 T HA -0.142 4.209 4.350 0.001 0.000 0.268 246 T C 1.769 176.527 174.700 0.096 0.000 1.057 246 T CA 1.235 63.444 62.100 0.182 0.000 1.136 246 T CB -0.400 68.657 68.868 0.316 0.000 0.874 246 T HN 0.346 nan 8.240 nan 0.000 0.466 247 N N 0.980 119.724 118.700 0.074 0.000 2.084 247 N HA -0.005 4.736 4.740 0.001 0.000 0.190 247 N C 1.402 176.925 175.510 0.021 0.000 1.030 247 N CA 1.024 54.086 53.050 0.019 0.000 0.849 247 N CB -0.636 37.868 38.487 0.028 0.000 1.012 247 N HN 0.480 nan 8.380 nan 0.000 0.423 248 F N 1.070 120.975 119.950 -0.074 0.000 2.102 248 F HA -0.147 4.380 4.527 0.001 0.000 0.298 248 F C 1.926 177.635 175.800 -0.151 0.000 1.105 248 F CA 0.963 58.888 58.000 -0.125 0.000 1.239 248 F CB -0.178 38.734 39.000 -0.148 0.000 0.991 248 F HN -0.059 nan 8.300 nan 0.000 0.474 249 L N 0.583 121.804 121.223 -0.003 0.000 2.093 249 L HA -0.124 4.217 4.340 0.001 0.000 0.208 249 L C 2.548 179.351 176.870 -0.111 0.000 1.085 249 L CA 1.544 56.342 54.840 -0.070 0.000 0.755 249 L CB -1.246 40.872 42.059 0.099 0.000 0.904 249 L HN 0.102 nan 8.230 nan 0.000 0.435 250 R N -0.536 119.917 120.500 -0.078 0.000 2.083 250 R HA -0.230 4.111 4.340 0.001 0.000 0.237 250 R C 2.304 178.506 176.300 -0.164 0.000 1.137 250 R CA 1.789 57.816 56.100 -0.122 0.000 0.951 250 R CB -0.027 30.165 30.300 -0.180 0.000 0.851 250 R HN 0.149 nan 8.270 nan 0.000 0.434 251 K N -0.365 119.909 120.400 -0.209 0.000 1.973 251 K HA -0.049 4.272 4.320 0.001 0.000 0.212 251 K C 2.054 178.487 176.600 -0.279 0.000 1.047 251 K CA 2.067 58.215 56.287 -0.231 0.000 0.937 251 K CB -0.124 32.229 32.500 -0.246 0.000 0.721 251 K HN 0.040 nan 8.250 nan 0.000 0.440 252 S N 0.138 115.564 115.700 -0.456 0.000 2.380 252 S HA -0.179 4.292 4.470 0.001 0.000 0.229 252 S C 1.959 176.423 174.600 -0.227 0.000 1.043 252 S CA 1.645 59.598 58.200 -0.412 0.000 1.038 252 S CB -0.422 62.365 63.200 -0.689 0.000 0.872 252 S HN 0.100 nan 8.310 nan 0.000 0.456 253 V N 1.611 121.388 119.914 -0.228 0.000 2.453 253 V HA -0.127 3.994 4.120 0.001 0.000 0.247 253 V C 2.335 178.336 176.094 -0.154 0.000 1.048 253 V CA 1.760 63.920 62.300 -0.233 0.000 1.049 253 V CB -0.540 31.180 31.823 -0.172 0.000 0.672 253 V HN 0.423 nan 8.190 nan 0.000 0.457 254 K N 0.745 121.069 120.400 -0.127 0.000 2.057 254 K HA -0.243 4.077 4.320 0.001 0.000 0.207 254 K C 2.309 178.861 176.600 -0.080 0.000 1.049 254 K CA 1.713 57.945 56.287 -0.092 0.000 0.931 254 K CB -0.158 32.288 32.500 -0.090 0.000 0.714 254 K HN 0.326 nan 8.250 nan 0.000 0.440 255 R N 0.731 121.175 120.500 -0.093 0.000 2.083 255 R HA -0.093 4.247 4.340 0.001 0.000 0.237 255 R C 2.023 178.293 176.300 -0.051 0.000 1.137 255 R CA 2.175 58.235 56.100 -0.067 0.000 0.951 255 R CB -0.358 29.900 30.300 -0.069 0.000 0.851 255 R HN 0.267 nan 8.270 nan 0.000 0.434 256 M N 0.174 119.730 119.600 -0.074 0.000 2.159 256 M HA -0.114 4.366 4.480 0.001 0.000 0.263 256 M C 2.359 178.653 176.300 -0.010 0.000 1.063 256 M CA 1.765 57.032 55.300 -0.054 0.000 1.110 256 M CB -0.284 32.224 32.600 -0.153 0.000 1.374 256 M HN 0.167 nan 8.290 nan 0.000 0.411 257 K N 0.472 120.857 120.400 -0.025 0.000 2.217 257 K HA -0.175 4.146 4.320 0.001 0.000 0.202 257 K C 1.700 178.293 176.600 -0.011 0.000 1.051 257 K CA 1.248 57.532 56.287 -0.005 0.000 0.952 257 K CB 0.160 32.649 32.500 -0.019 0.000 0.736 257 K HN 0.185 nan 8.250 nan 0.000 0.453 258 E N 0.151 120.339 120.200 -0.020 0.000 2.047 258 E HA -0.113 4.237 4.350 0.001 0.000 0.191 258 E C 1.781 178.376 176.600 -0.007 0.000 0.987 258 E CA 1.746 58.136 56.400 -0.017 0.000 0.799 258 E CB 0.081 29.767 29.700 -0.022 0.000 0.752 258 E HN 0.175 nan 8.360 nan 0.000 0.449 259 S N 0.364 116.063 115.700 -0.002 0.000 2.383 259 S HA -0.155 4.316 4.470 0.001 0.000 0.229 259 S C 1.852 176.458 174.600 0.010 0.000 1.030 259 S CA 0.901 59.105 58.200 0.007 0.000 1.002 259 S CB -0.211 62.998 63.200 0.015 0.000 0.829 259 S HN 0.183 nan 8.310 nan 0.000 0.467 260 R N 0.791 121.299 120.500 0.013 0.000 2.115 260 R HA 0.156 4.497 4.340 0.001 0.000 0.226 260 R C 1.701 178.000 176.300 -0.001 0.000 1.100 260 R CA 0.663 56.769 56.100 0.011 0.000 0.980 260 R CB -0.561 29.749 30.300 0.017 0.000 0.875 260 R HN 0.422 nan 8.270 nan 0.000 0.445 261 L N 0.321 121.541 121.223 -0.005 0.000 2.612 261 L HA 0.062 4.403 4.340 0.001 0.000 0.230 261 L C 0.468 177.333 176.870 -0.008 0.000 1.140 261 L CA 0.522 55.356 54.840 -0.010 0.000 0.896 261 L CB 0.106 42.157 42.059 -0.014 0.000 1.065 261 L HN 0.015 nan 8.230 nan 0.000 0.447 262 E N -0.007 120.191 120.200 -0.004 0.000 2.887 262 E HA 0.063 4.414 4.350 0.001 0.000 0.206 262 E C -0.710 175.890 176.600 -0.001 0.000 0.983 262 E CA -0.172 56.226 56.400 -0.003 0.000 1.141 262 E CB 0.591 30.290 29.700 -0.003 0.000 1.061 262 E HN 0.352 nan 8.360 nan 0.000 0.468 270 D N 2.756 123.107 120.400 -0.082 0.000 2.712 270 D HA 0.456 5.097 4.640 0.001 0.000 0.252 270 D C 1.118 177.340 176.300 -0.130 0.000 1.123 270 D CA -0.859 53.080 54.000 -0.102 0.000 1.109 270 D CB 0.584 41.331 40.800 -0.088 0.000 1.313 270 D HN 0.197 nan 8.370 nan 0.000 0.629 271 F N -0.027 119.715 119.950 -0.346 0.000 2.087 271 F HA -0.162 4.366 4.527 0.001 0.000 0.299 271 F C 1.962 177.558 175.800 -0.340 0.000 1.100 271 F CA 1.547 59.292 58.000 -0.426 0.000 1.226 271 F CB -0.326 38.330 39.000 -0.573 0.000 0.983 271 F HN 0.307 nan 8.300 nan 0.000 0.479 272 L N -0.214 120.802 121.223 -0.345 0.000 1.970 272 L HA -0.290 4.051 4.340 0.001 0.000 0.212 272 L C 2.631 179.366 176.870 -0.225 0.000 1.071 272 L CA 2.040 56.728 54.840 -0.253 0.000 0.751 272 L CB -0.685 41.390 42.059 0.027 0.000 0.889 272 L HN 0.242 nan 8.230 nan 0.000 0.432 273 Q N -0.168 119.542 119.800 -0.150 0.000 2.077 273 Q HA -0.273 4.068 4.340 0.001 0.000 0.206 273 Q C 1.997 177.904 176.000 -0.155 0.000 0.989 273 Q CA 1.929 57.661 55.803 -0.119 0.000 0.853 273 Q CB -0.640 28.048 28.738 -0.084 0.000 0.907 273 Q HN 0.393 nan 8.270 nan 0.000 0.418 274 L N -0.545 120.560 121.223 -0.196 0.000 2.129 274 L HA -0.144 4.196 4.340 0.001 0.000 0.212 274 L C 2.133 178.862 176.870 -0.234 0.000 1.087 274 L CA 1.777 56.497 54.840 -0.201 0.000 0.757 274 L CB -0.329 41.603 42.059 -0.213 0.000 0.896 274 L HN 0.382 nan 8.230 nan 0.000 0.434 275 M N -2.265 117.143 119.600 -0.320 0.000 2.394 275 M HA -0.078 4.402 4.480 0.001 0.000 0.266 275 M C 2.119 178.309 176.300 -0.184 0.000 1.098 275 M CA 1.071 56.191 55.300 -0.300 0.000 1.149 275 M CB -0.052 32.282 32.600 -0.442 0.000 1.369 275 M HN 0.179 nan 8.290 nan 0.000 0.450 276 I N 0.319 120.797 120.570 -0.153 0.000 2.202 276 I HA -0.309 3.862 4.170 0.001 0.000 0.242 276 I C 1.812 177.878 176.117 -0.084 0.000 1.091 276 I CA 1.163 62.404 61.300 -0.098 0.000 1.368 276 I CB -0.633 37.322 38.000 -0.075 0.000 1.058 276 I HN 0.268 nan 8.210 nan 0.000 0.410 277 D N 0.957 121.304 120.400 -0.089 0.000 2.203 277 D HA -0.182 4.459 4.640 0.001 0.000 0.199 277 D C 2.142 178.401 176.300 -0.069 0.000 0.997 277 D CA 1.971 55.926 54.000 -0.074 0.000 0.863 277 D CB -0.134 40.620 40.800 -0.077 0.000 0.928 277 D HN 0.394 nan 8.370 nan 0.000 0.458 278 S N -0.482 115.169 115.700 -0.082 0.000 2.660 278 S HA -0.042 4.429 4.470 0.001 0.000 0.228 278 S C 0.815 175.382 174.600 -0.055 0.000 0.966 278 S CA 0.071 58.229 58.200 -0.070 0.000 0.940 278 S CB 0.075 63.225 63.200 -0.083 0.000 0.773 278 S HN 0.230 nan 8.310 nan 0.000 0.535 290 L N 2.088 123.292 121.223 -0.033 0.000 2.462 290 L HA 0.227 4.568 4.340 0.001 0.000 0.272 290 L C 1.391 178.251 176.870 -0.017 0.000 1.166 290 L CA 0.171 54.994 54.840 -0.028 0.000 0.880 290 L CB 1.313 43.340 42.059 -0.053 0.000 1.142 290 L HN 0.843 nan 8.230 nan 0.000 0.473 291 S N 1.967 117.667 115.700 0.001 0.000 2.600 291 S HA -0.006 4.465 4.470 0.001 0.000 0.265 291 S C 0.947 175.551 174.600 0.006 0.000 1.325 291 S CA -0.531 57.674 58.200 0.008 0.000 1.002 291 S CB 0.977 64.193 63.200 0.027 0.000 0.921 291 S HN 0.641 nan 8.310 nan 0.000 0.554 292 D N 0.802 121.203 120.400 0.002 0.000 2.182 292 D HA -0.069 4.572 4.640 0.001 0.000 0.201 292 D C 1.563 177.872 176.300 0.015 0.000 0.986 292 D CA 0.931 54.928 54.000 -0.004 0.000 0.847 292 D CB -0.178 40.613 40.800 -0.015 0.000 0.942 292 D HN 0.430 nan 8.370 nan 0.000 0.467 293 L N 0.883 122.129 121.223 0.039 0.000 2.209 293 L HA 0.026 4.367 4.340 0.001 0.000 0.207 293 L C 1.913 178.880 176.870 0.162 0.000 1.094 293 L CA 1.254 56.149 54.840 0.091 0.000 0.790 293 L CB -0.226 41.892 42.059 0.099 0.000 0.932 293 L HN -0.066 nan 8.230 nan 0.000 0.447 294 E N -0.553 119.714 120.200 0.110 0.000 2.110 294 E HA -0.265 4.085 4.350 0.001 0.000 0.193 294 E C 2.192 178.838 176.600 0.077 0.000 0.988 294 E CA 1.389 57.848 56.400 0.100 0.000 0.804 294 E CB -0.250 29.487 29.700 0.061 0.000 0.745 294 E HN 0.481 nan 8.360 nan 0.000 0.458 295 L N 0.823 122.069 121.223 0.038 0.000 2.012 295 L HA -0.206 4.135 4.340 0.001 0.000 0.210 295 L C 2.333 179.243 176.870 0.066 0.000 1.073 295 L CA 1.137 55.976 54.840 -0.002 0.000 0.748 295 L CB -0.134 41.904 42.059 -0.035 0.000 0.891 295 L HN -0.009 nan 8.230 nan 0.000 0.431 296 V N 0.333 120.311 119.914 0.106 0.000 2.343 296 V HA -0.312 3.808 4.120 0.001 0.000 0.247 296 V C 2.852 179.091 176.094 0.242 0.000 1.051 296 V CA 1.679 64.074 62.300 0.158 0.000 1.036 296 V CB -1.327 30.573 31.823 0.128 0.000 0.654 296 V HN 0.625 nan 8.190 nan 0.000 0.451 297 A N -0.129 122.851 122.820 0.267 0.000 1.873 297 A HA -0.295 4.026 4.320 0.001 0.000 0.218 297 A C 2.190 179.886 177.584 0.187 0.000 1.193 297 A CA 2.059 54.206 52.037 0.185 0.000 0.629 297 A CB -0.591 18.478 19.000 0.114 0.000 0.826 297 A HN 0.555 nan 8.150 nan 0.000 0.447 298 Q N 0.211 120.125 119.800 0.191 0.000 2.096 298 Q HA -0.116 4.225 4.340 0.001 0.000 0.204 298 Q C 2.418 178.657 176.000 0.399 0.000 0.982 298 Q CA 1.774 57.727 55.803 0.251 0.000 0.850 298 Q CB -1.073 27.743 28.738 0.131 0.000 0.901 298 Q HN 0.645 nan 8.270 nan 0.000 0.422 299 S N 1.006 116.952 115.700 0.409 0.000 2.359 299 S HA -0.104 4.367 4.470 0.001 0.000 0.224 299 S C 2.093 177.007 174.600 0.523 0.000 1.035 299 S CA 1.067 59.647 58.200 0.633 0.000 1.018 299 S CB -0.316 63.215 63.200 0.552 0.000 0.876 299 S HN 0.301 nan 8.310 nan 0.000 0.448 300 I N 1.409 122.190 120.570 0.353 0.000 2.286 300 I HA -0.181 3.989 4.170 0.001 0.000 0.248 300 I C 1.947 178.247 176.117 0.305 0.000 1.115 300 I CA 0.723 62.190 61.300 0.279 0.000 1.392 300 I CB -0.373 37.723 38.000 0.159 0.000 1.065 300 I HN 0.248 nan 8.210 nan 0.000 0.418 301 I N 0.379 121.141 120.570 0.319 0.000 2.091 301 I HA -0.315 3.856 4.170 0.001 0.000 0.239 301 I C 2.530 178.910 176.117 0.438 0.000 1.061 301 I CA 2.094 63.610 61.300 0.361 0.000 1.317 301 I CB -1.330 36.917 38.000 0.412 0.000 1.031 301 I HN 0.126 nan 8.210 nan 0.000 0.401 302 F N 0.882 120.925 119.950 0.155 0.000 2.171 302 F HA -0.135 4.393 4.527 0.001 0.000 0.300 302 F C 2.582 178.461 175.800 0.131 0.000 1.090 302 F CA 0.932 58.942 58.000 0.017 0.000 1.293 302 F CB -0.895 37.852 39.000 -0.423 0.000 1.013 302 F HN -0.001 nan 8.300 nan 0.000 0.486 303 I N -1.317 119.520 120.570 0.444 0.000 2.127 303 I HA -0.359 3.811 4.170 0.001 0.000 0.241 303 I C 2.442 178.771 176.117 0.353 0.000 1.075 303 I CA 1.619 63.160 61.300 0.402 0.000 1.334 303 I CB -0.576 37.680 38.000 0.426 0.000 1.040 303 I HN 0.055 nan 8.210 nan 0.000 0.405 304 F N 1.556 121.645 119.950 0.232 0.000 2.113 304 F HA -0.191 4.337 4.527 0.001 0.000 0.297 304 F C 2.522 178.430 175.800 0.179 0.000 1.103 304 F CA 1.465 59.596 58.000 0.218 0.000 1.248 304 F CB -0.347 38.750 39.000 0.162 0.000 0.999 304 F HN -0.004 nan 8.300 nan 0.000 0.475 305 A N 0.440 123.420 122.820 0.266 0.000 1.883 305 A HA -0.125 4.196 4.320 0.001 0.000 0.217 305 A C 2.503 180.088 177.584 0.001 0.000 1.186 305 A CA 1.916 54.005 52.037 0.088 0.000 0.624 305 A CB -1.869 17.144 19.000 0.021 0.000 0.822 305 A HN 0.529 nan 8.150 nan 0.000 0.444 306 G N -1.409 107.436 108.800 0.075 0.000 2.514 306 G HA2 -0.332 3.629 3.960 0.001 0.000 0.217 306 G HA3 -0.332 3.629 3.960 0.001 0.000 0.217 306 G C 1.597 176.523 174.900 0.043 0.000 1.198 306 G CA 1.484 46.654 45.100 0.116 0.000 0.780 306 G HN 0.685 nan 8.290 nan 0.000 0.565 307 Y N 1.268 121.518 120.300 -0.084 0.000 2.092 307 Y HA -0.044 4.507 4.550 0.001 0.000 0.282 307 Y C 2.882 178.645 175.900 -0.229 0.000 1.126 307 Y CA 2.259 60.277 58.100 -0.135 0.000 1.111 307 Y CB -0.220 38.170 38.460 -0.117 0.000 0.987 307 Y HN 0.275 nan 8.280 nan 0.000 0.489 308 E N 0.041 119.819 120.200 -0.704 0.000 2.015 308 E HA -0.167 4.184 4.350 0.001 0.000 0.191 308 E C 2.393 178.688 176.600 -0.508 0.000 0.991 308 E CA 2.251 58.140 56.400 -0.852 0.000 0.802 308 E CB -1.074 28.026 29.700 -1.000 0.000 0.759 308 E HN 0.443 nan 8.360 nan 0.000 0.447 309 T N -0.684 113.674 114.554 -0.325 0.000 2.635 309 T HA -0.177 4.174 4.350 0.001 0.000 0.267 309 T C 1.745 176.322 174.700 -0.206 0.000 1.040 309 T CA 2.548 64.533 62.100 -0.191 0.000 1.156 309 T CB -0.673 68.134 68.868 -0.102 0.000 0.863 309 T HN 0.335 nan 8.240 nan 0.000 0.430 310 T N 1.663 116.085 114.554 -0.219 0.000 2.668 310 T HA -0.108 4.242 4.350 0.001 0.000 0.262 310 T C 2.405 176.956 174.700 -0.248 0.000 1.045 310 T CA 1.853 63.827 62.100 -0.209 0.000 1.152 310 T CB -0.680 68.079 68.868 -0.180 0.000 0.864 310 T HN 0.624 nan 8.240 nan 0.000 0.419 311 S N 1.741 117.278 115.700 -0.273 0.000 2.383 311 S HA -0.120 4.350 4.470 0.001 0.000 0.229 311 S C 2.332 176.732 174.600 -0.334 0.000 1.030 311 S CA 1.265 59.310 58.200 -0.258 0.000 1.002 311 S CB -0.784 62.271 63.200 -0.242 0.000 0.829 311 S HN 0.314 nan 8.310 nan 0.000 0.467 312 S N 1.523 117.002 115.700 -0.368 0.000 2.365 312 S HA -0.105 4.366 4.470 0.001 0.000 0.221 312 S C 2.035 176.360 174.600 -0.459 0.000 1.037 312 S CA 1.664 59.612 58.200 -0.421 0.000 1.060 312 S CB -0.717 62.330 63.200 -0.254 0.000 0.974 312 S HN 0.463 nan 8.310 nan 0.000 0.427 313 V N 2.099 121.888 119.914 -0.208 0.000 2.343 313 V HA -0.173 3.948 4.120 0.001 0.000 0.247 313 V C 2.223 178.192 176.094 -0.207 0.000 1.051 313 V CA 1.548 63.808 62.300 -0.066 0.000 1.036 313 V CB -0.819 30.970 31.823 -0.057 0.000 0.654 313 V HN 0.392 nan 8.190 nan 0.000 0.451 314 L N 0.084 121.098 121.223 -0.349 0.000 2.013 314 L HA -0.222 4.119 4.340 0.001 0.000 0.212 314 L C 2.675 179.272 176.870 -0.454 0.000 1.073 314 L CA 1.959 56.484 54.840 -0.526 0.000 0.753 314 L CB -0.627 40.886 42.059 -0.909 0.000 0.890 314 L HN 0.328 nan 8.230 nan 0.000 0.432 315 S N -0.606 114.845 115.700 -0.414 0.000 2.383 315 S HA -0.154 4.317 4.470 0.001 0.000 0.229 315 S C 1.758 176.132 174.600 -0.378 0.000 1.030 315 S CA 1.417 59.398 58.200 -0.365 0.000 1.002 315 S CB -0.413 62.493 63.200 -0.489 0.000 0.829 315 S HN 0.301 nan 8.310 nan 0.000 0.467 316 F N 1.251 120.997 119.950 -0.340 0.000 2.146 316 F HA 0.000 4.528 4.527 0.001 0.000 0.298 316 F C 2.099 177.721 175.800 -0.297 0.000 1.096 316 F CA 0.575 58.272 58.000 -0.505 0.000 1.275 316 F CB -0.460 38.068 39.000 -0.787 0.000 1.008 316 F HN 0.140 nan 8.300 nan 0.000 0.480 317 I N -0.618 119.911 120.570 -0.069 0.000 2.113 317 I HA -0.329 3.842 4.170 0.001 0.000 0.238 317 I C 2.405 178.440 176.117 -0.137 0.000 1.070 317 I CA 0.937 62.182 61.300 -0.093 0.000 1.332 317 I CB -0.472 37.450 38.000 -0.130 0.000 1.044 317 I HN 0.092 nan 8.210 nan 0.000 0.402 318 M N 0.039 119.523 119.600 -0.193 0.000 2.082 318 M HA -0.280 4.201 4.480 0.001 0.000 0.258 318 M C 2.476 178.699 176.300 -0.128 0.000 1.069 318 M CA 1.933 57.092 55.300 -0.236 0.000 1.102 318 M CB -1.594 30.822 32.600 -0.306 0.000 1.336 318 M HN 0.300 nan 8.290 nan 0.000 0.404 319 Y N 1.443 121.638 120.300 -0.175 0.000 2.128 319 Y HA -0.238 4.313 4.550 0.001 0.000 0.284 319 Y C 2.224 178.051 175.900 -0.122 0.000 1.154 319 Y CA 1.898 59.928 58.100 -0.116 0.000 1.149 319 Y CB -0.182 38.216 38.460 -0.104 0.000 0.976 319 Y HN 0.247 nan 8.280 nan 0.000 0.505 320 E N 0.375 120.485 120.200 -0.149 0.000 2.153 320 E HA -0.173 4.177 4.350 0.001 0.000 0.194 320 E C 2.299 178.655 176.600 -0.406 0.000 0.988 320 E CA 1.285 57.407 56.400 -0.464 0.000 0.811 320 E CB -0.292 28.894 29.700 -0.858 0.000 0.746 320 E HN 0.577 nan 8.360 nan 0.000 0.466 321 L N 0.086 121.175 121.223 -0.223 0.000 2.044 321 L HA -0.068 4.273 4.340 0.001 0.000 0.205 321 L C 2.522 179.380 176.870 -0.020 0.000 1.075 321 L CA 0.930 55.739 54.840 -0.052 0.000 0.747 321 L CB -0.482 41.569 42.059 -0.014 0.000 0.903 321 L HN 0.042 nan 8.230 nan 0.000 0.435 322 A N -1.165 121.612 122.820 -0.073 0.000 1.972 322 A HA -0.222 4.098 4.320 0.001 0.000 0.219 322 A C 2.266 179.768 177.584 -0.137 0.000 1.169 322 A CA 2.270 54.281 52.037 -0.043 0.000 0.635 322 A CB -0.665 18.326 19.000 -0.015 0.000 0.810 322 A HN 0.346 nan 8.150 nan 0.000 0.446 323 T N -1.649 112.734 114.554 -0.285 0.000 3.122 323 T HA 0.162 4.513 4.350 0.001 0.000 0.250 323 T C -0.376 174.052 174.700 -0.452 0.000 1.067 323 T CA 0.066 61.938 62.100 -0.381 0.000 0.966 323 T CB -0.379 68.123 68.868 -0.610 0.000 1.002 323 T HN 0.564 nan 8.240 nan 0.000 0.542 324 H N 0.451 119.458 119.070 -0.106 0.000 2.562 324 H HA 0.276 4.833 4.556 0.001 0.000 0.230 324 H C -2.091 173.268 175.328 0.052 0.000 1.415 324 H CA -1.247 54.810 56.048 0.015 0.000 1.454 324 H CB 1.373 31.203 29.762 0.114 0.000 1.716 324 H HN 0.060 nan 8.280 nan 0.000 0.538 325 P HA -0.159 nan 4.420 nan 0.000 0.221 325 P C 0.924 178.294 177.300 0.116 0.000 1.150 325 P CA 1.054 64.212 63.100 0.096 0.000 0.800 325 P CB 0.572 32.304 31.700 0.053 0.000 0.787 326 D N 0.499 120.974 120.400 0.124 0.000 2.149 326 D HA -0.137 4.504 4.640 0.001 0.000 0.194 326 D C 1.872 178.268 176.300 0.160 0.000 1.001 326 D CA 1.192 55.266 54.000 0.123 0.000 0.849 326 D CB -1.244 39.633 40.800 0.128 0.000 0.939 326 D HN 0.109 nan 8.370 nan 0.000 0.449 327 V N 0.745 120.804 119.914 0.242 0.000 2.535 327 V HA -0.181 3.940 4.120 0.001 0.000 0.246 327 V C 2.824 179.100 176.094 0.302 0.000 1.045 327 V CA 1.380 63.876 62.300 0.326 0.000 1.058 327 V CB -0.738 31.322 31.823 0.395 0.000 0.689 327 V HN 0.180 nan 8.190 nan 0.000 0.461 328 Q N -0.047 119.886 119.800 0.222 0.000 2.135 328 Q HA -0.293 4.048 4.340 0.001 0.000 0.204 328 Q C 2.363 178.455 176.000 0.154 0.000 0.981 328 Q CA 2.106 58.015 55.803 0.176 0.000 0.856 328 Q CB -0.094 28.731 28.738 0.145 0.000 0.902 328 Q HN 0.716 nan 8.270 nan 0.000 0.425 329 Q N 0.350 120.224 119.800 0.124 0.000 2.049 329 Q HA -0.202 4.138 4.340 0.001 0.000 0.198 329 Q C 1.993 178.027 176.000 0.057 0.000 0.971 329 Q CA 1.493 57.344 55.803 0.081 0.000 0.833 329 Q CB -0.021 28.751 28.738 0.057 0.000 0.896 329 Q HN 0.212 nan 8.270 nan 0.000 0.434 330 K N 0.336 120.762 120.400 0.043 0.000 2.152 330 K HA -0.139 4.181 4.320 0.001 0.000 0.206 330 K C 2.109 178.686 176.600 -0.039 0.000 1.048 330 K CA 0.937 57.170 56.287 -0.090 0.000 0.933 330 K CB -0.154 32.182 32.500 -0.273 0.000 0.721 330 K HN 0.269 nan 8.250 nan 0.000 0.447 331 L N 0.525 121.868 121.223 0.200 0.000 2.056 331 L HA -0.214 4.127 4.340 0.001 0.000 0.207 331 L C 2.389 179.338 176.870 0.132 0.000 1.078 331 L CA 1.397 56.404 54.840 0.277 0.000 0.749 331 L CB -0.179 42.045 42.059 0.276 0.000 0.901 331 L HN 0.364 nan 8.230 nan 0.000 0.433 332 Q N -0.292 119.567 119.800 0.099 0.000 2.050 332 Q HA -0.278 4.062 4.340 0.001 0.000 0.202 332 Q C 1.967 177.988 176.000 0.035 0.000 0.980 332 Q CA 1.992 57.834 55.803 0.064 0.000 0.840 332 Q CB -0.085 28.690 28.738 0.061 0.000 0.898 332 Q HN 0.504 nan 8.270 nan 0.000 0.424 333 E N 0.554 120.764 120.200 0.017 0.000 2.086 333 E HA -0.299 4.052 4.350 0.001 0.000 0.200 333 E C 1.932 178.529 176.600 -0.005 0.000 1.012 333 E CA 1.593 57.989 56.400 -0.006 0.000 0.812 333 E CB -0.074 29.606 29.700 -0.034 0.000 0.743 333 E HN 0.385 nan 8.360 nan 0.000 0.453 334 E N 0.776 120.979 120.200 0.004 0.000 2.047 334 E HA -0.195 4.156 4.350 0.001 0.000 0.191 334 E C 2.093 178.709 176.600 0.027 0.000 0.987 334 E CA 1.072 57.483 56.400 0.018 0.000 0.799 334 E CB -0.121 29.610 29.700 0.053 0.000 0.752 334 E HN 0.240 nan 8.360 nan 0.000 0.449 335 I N 1.578 122.171 120.570 0.038 0.000 2.264 335 I HA -0.269 3.902 4.170 0.001 0.000 0.248 335 I C 1.826 177.952 176.117 0.017 0.000 1.111 335 I CA 1.270 62.588 61.300 0.030 0.000 1.382 335 I CB -0.318 37.704 38.000 0.037 0.000 1.060 335 I HN 0.163 nan 8.210 nan 0.000 0.418 336 D N 1.037 121.444 120.400 0.012 0.000 2.117 336 D HA -0.121 4.520 4.640 0.001 0.000 0.198 336 D C 2.276 178.578 176.300 0.002 0.000 0.982 336 D CA 1.555 55.558 54.000 0.004 0.000 0.828 336 D CB -0.178 40.622 40.800 -0.000 0.000 0.967 336 D HN 0.349 nan 8.370 nan 0.000 0.464 337 A N 0.431 123.252 122.820 0.002 0.000 1.898 337 A HA -0.091 4.230 4.320 0.001 0.000 0.216 337 A C 2.416 180.001 177.584 0.003 0.000 1.181 337 A CA 1.092 53.128 52.037 -0.001 0.000 0.620 337 A CB -0.477 18.521 19.000 -0.004 0.000 0.819 337 A HN 0.160 nan 8.150 nan 0.000 0.442 338 V N -0.923 118.995 119.914 0.006 0.000 2.788 338 V HA 0.092 4.212 4.120 0.001 0.000 0.251 338 V C 0.695 176.794 176.094 0.008 0.000 1.068 338 V CA 0.951 63.255 62.300 0.007 0.000 1.090 338 V CB -0.434 31.394 31.823 0.009 0.000 0.710 338 V HN 0.434 nan 8.190 nan 0.000 0.467 339 L N 2.609 123.837 121.223 0.008 0.000 2.488 339 L HA 0.380 4.721 4.340 0.001 0.000 0.250 339 L C -2.631 174.242 176.870 0.004 0.000 1.280 339 L CA -1.438 53.407 54.840 0.008 0.000 0.929 339 L CB 1.532 43.598 42.059 0.011 0.000 1.200 339 L HN 0.076 nan 8.230 nan 0.000 0.495 340 P HA -0.016 nan 4.420 nan 0.000 0.268 340 P C -0.012 177.286 177.300 -0.003 0.000 1.205 340 P CA 0.038 63.138 63.100 -0.001 0.000 0.771 340 P CB 0.404 32.103 31.700 -0.001 0.000 0.858 341 N N 2.982 121.677 118.700 -0.008 0.000 2.676 341 N HA -0.268 4.473 4.740 0.001 0.000 0.290 341 N C -0.024 175.478 175.510 -0.013 0.000 1.109 341 N CA 0.895 53.937 53.050 -0.012 0.000 0.779 341 N CB -1.378 37.102 38.487 -0.012 0.000 0.947 341 N HN 0.667 nan 8.380 nan 0.000 0.566 342 K N -2.638 117.753 120.400 -0.016 0.000 3.088 342 K HA -0.235 4.086 4.320 0.001 0.000 0.273 342 K C 0.372 176.970 176.600 -0.005 0.000 1.111 342 K CA 1.114 57.391 56.287 -0.017 0.000 0.803 342 K CB -1.618 30.864 32.500 -0.030 0.000 1.226 342 K HN 0.862 nan 8.250 nan 0.000 0.485 343 A N 1.429 124.249 122.820 0.001 0.000 2.520 343 A HA 0.263 4.584 4.320 0.001 0.000 0.245 343 A C -2.008 175.586 177.584 0.016 0.000 1.072 343 A CA -0.720 51.322 52.037 0.009 0.000 0.761 343 A CB -0.029 18.977 19.000 0.010 0.000 1.004 343 A HN -0.026 nan 8.150 nan 0.000 0.499 344 P HA 0.155 nan 4.420 nan 0.000 0.265 344 P C -2.335 174.987 177.300 0.037 0.000 1.193 344 P CA -0.542 62.577 63.100 0.031 0.000 0.765 344 P CB 0.006 31.726 31.700 0.034 0.000 0.823 345 P HA 0.144 nan 4.420 nan 0.000 0.275 345 P C -0.588 176.748 177.300 0.061 0.000 1.228 345 P CA 0.007 63.133 63.100 0.044 0.000 0.786 345 P CB 0.694 32.419 31.700 0.043 0.000 0.927 346 T N -1.666 112.924 114.554 0.060 0.000 2.901 346 T HA 0.226 4.577 4.350 0.001 0.000 0.293 346 T C 0.795 175.559 174.700 0.107 0.000 1.084 346 T CA -0.581 61.575 62.100 0.095 0.000 1.008 346 T CB 0.846 69.768 68.868 0.090 0.000 1.170 346 T HN 0.321 nan 8.240 nan 0.000 0.509 347 Y N 0.949 121.271 120.300 0.036 0.000 2.139 347 Y HA -0.221 4.330 4.550 0.001 0.000 0.282 347 Y C 2.151 178.066 175.900 0.024 0.000 1.179 347 Y CA 2.554 60.674 58.100 0.033 0.000 1.161 347 Y CB -0.213 38.271 38.460 0.039 0.000 0.970 347 Y HN 0.888 nan 8.280 nan 0.000 0.511 348 D N -1.338 119.139 120.400 0.128 0.000 2.183 348 D HA -0.137 4.504 4.640 0.001 0.000 0.203 348 D C 2.110 178.399 176.300 -0.018 0.000 0.969 348 D CA 1.805 55.836 54.000 0.051 0.000 0.842 348 D CB -0.155 40.701 40.800 0.093 0.000 0.957 348 D HN 0.519 nan 8.370 nan 0.000 0.484 349 T N -2.507 112.043 114.554 -0.007 0.000 2.942 349 T HA -0.029 4.322 4.350 0.001 0.000 0.265 349 T C 2.110 176.785 174.700 -0.042 0.000 1.062 349 T CA 0.690 62.782 62.100 -0.012 0.000 1.139 349 T CB -0.567 68.306 68.868 0.008 0.000 0.883 349 T HN -0.055 nan 8.240 nan 0.000 0.468 350 V N 2.253 122.120 119.914 -0.077 0.000 2.287 350 V HA -0.098 4.023 4.120 0.001 0.000 0.248 350 V C 2.686 178.700 176.094 -0.133 0.000 1.053 350 V CA 1.563 63.797 62.300 -0.109 0.000 1.027 350 V CB -0.836 30.895 31.823 -0.153 0.000 0.646 350 V HN 0.484 nan 8.190 nan 0.000 0.447 351 L N -0.529 120.583 121.223 -0.185 0.000 2.353 351 L HA -0.213 4.128 4.340 0.001 0.000 0.220 351 L C 2.453 179.278 176.870 -0.075 0.000 1.133 351 L CA 1.273 56.022 54.840 -0.151 0.000 0.798 351 L CB -0.590 41.367 42.059 -0.169 0.000 0.922 351 L HN 0.443 nan 8.230 nan 0.000 0.445 352 Q N -0.602 119.166 119.800 -0.053 0.000 2.302 352 Q HA 0.071 4.412 4.340 0.001 0.000 0.202 352 Q C 0.747 176.740 176.000 -0.011 0.000 0.936 352 Q CA 0.345 56.134 55.803 -0.023 0.000 0.886 352 Q CB 0.205 28.936 28.738 -0.012 0.000 0.986 352 Q HN 0.465 nan 8.270 nan 0.000 0.487 353 M N 1.567 121.158 119.600 -0.016 0.000 2.821 353 M HA 0.007 4.488 4.480 0.001 0.000 0.305 353 M C 0.864 177.173 176.300 0.014 0.000 1.466 353 M CA 0.229 55.534 55.300 0.008 0.000 1.526 353 M CB 0.376 32.979 32.600 0.006 0.000 1.321 353 M HN 0.160 nan 8.290 nan 0.000 0.492 354 E N 1.981 122.204 120.200 0.038 0.000 2.072 354 E HA -0.214 4.137 4.350 0.001 0.000 0.191 354 E C 1.407 178.054 176.600 0.078 0.000 0.985 354 E CA 1.544 57.971 56.400 0.045 0.000 0.801 354 E CB 0.142 29.874 29.700 0.053 0.000 0.750 354 E HN 0.778 nan 8.360 nan 0.000 0.452 355 Y N 0.452 120.740 120.300 -0.021 0.000 2.293 355 Y HA -0.201 4.350 4.550 0.001 0.000 0.291 355 Y C 2.172 178.057 175.900 -0.025 0.000 1.137 355 Y CA 0.889 58.977 58.100 -0.019 0.000 1.202 355 Y CB 0.069 38.523 38.460 -0.009 0.000 0.990 355 Y HN 0.143 nan 8.280 nan 0.000 0.537 356 L N 0.678 121.904 121.223 0.004 0.000 1.989 356 L HA -0.244 4.097 4.340 0.001 0.000 0.211 356 L C 1.883 178.669 176.870 -0.140 0.000 1.071 356 L CA 2.565 57.360 54.840 -0.074 0.000 0.749 356 L CB -1.054 40.990 42.059 -0.024 0.000 0.890 356 L HN 0.266 nan 8.230 nan 0.000 0.431 357 D N -1.299 119.032 120.400 -0.115 0.000 2.149 357 D HA -0.239 4.402 4.640 0.001 0.000 0.198 357 D C 2.140 178.309 176.300 -0.219 0.000 0.990 357 D CA 1.639 55.553 54.000 -0.143 0.000 0.839 357 D CB -0.020 40.719 40.800 -0.101 0.000 0.948 357 D HN 0.416 nan 8.370 nan 0.000 0.460 358 M N -0.694 118.774 119.600 -0.219 0.000 2.086 358 M HA -0.135 4.346 4.480 0.001 0.000 0.261 358 M C 2.219 178.302 176.300 -0.362 0.000 1.067 358 M CA 0.866 56.008 55.300 -0.262 0.000 1.116 358 M CB -0.143 32.324 32.600 -0.222 0.000 1.348 358 M HN -0.011 nan 8.290 nan 0.000 0.407 359 V N -0.212 119.461 119.914 -0.402 0.000 2.358 359 V HA -0.198 3.923 4.120 0.001 0.000 0.246 359 V C 2.334 178.351 176.094 -0.128 0.000 1.047 359 V CA 1.439 63.573 62.300 -0.277 0.000 1.035 359 V CB -0.455 31.227 31.823 -0.235 0.000 0.658 359 V HN 0.264 nan 8.190 nan 0.000 0.452 360 V N 0.529 120.348 119.914 -0.159 0.000 2.295 360 V HA -0.249 3.872 4.120 0.001 0.000 0.246 360 V C 2.350 178.351 176.094 -0.156 0.000 1.049 360 V CA 2.212 64.442 62.300 -0.116 0.000 1.024 360 V CB -0.923 30.832 31.823 -0.112 0.000 0.648 360 V HN 0.543 nan 8.190 nan 0.000 0.447 361 N N 0.256 118.751 118.700 -0.342 0.000 2.061 361 N HA -0.221 4.519 4.740 0.001 0.000 0.193 361 N C 1.900 177.086 175.510 -0.540 0.000 1.030 361 N CA 1.826 54.495 53.050 -0.635 0.000 0.856 361 N CB -0.442 37.134 38.487 -1.518 0.000 1.023 361 N HN 0.592 nan 8.380 nan 0.000 0.424 362 E N 0.133 120.094 120.200 -0.399 0.000 2.153 362 E HA -0.067 4.284 4.350 0.001 0.000 0.194 362 E C 1.547 178.192 176.600 0.074 0.000 0.988 362 E CA 1.342 57.680 56.400 -0.103 0.000 0.811 362 E CB -0.371 29.172 29.700 -0.262 0.000 0.746 362 E HN 0.309 nan 8.360 nan 0.000 0.466 363 T N 0.605 115.269 114.554 0.182 0.000 2.737 363 T HA -0.074 4.277 4.350 0.001 0.000 0.265 363 T C 1.779 176.607 174.700 0.213 0.000 1.038 363 T CA 1.203 63.484 62.100 0.303 0.000 1.144 363 T CB -0.245 68.765 68.868 0.236 0.000 0.866 363 T HN 0.140 nan 8.240 nan 0.000 0.434 364 L N 0.572 121.849 121.223 0.089 0.000 2.275 364 L HA -0.013 4.328 4.340 0.001 0.000 0.215 364 L C 2.820 179.727 176.870 0.062 0.000 1.119 364 L CA 0.886 55.746 54.840 0.033 0.000 0.790 364 L CB -0.399 41.625 42.059 -0.059 0.000 0.919 364 L HN 0.173 nan 8.230 nan 0.000 0.443 365 R N 0.591 121.141 120.500 0.083 0.000 2.066 365 R HA -0.138 4.203 4.340 0.001 0.000 0.232 365 R C 2.247 178.463 176.300 -0.141 0.000 1.131 365 R CA 1.371 57.446 56.100 -0.041 0.000 0.955 365 R CB -0.131 30.013 30.300 -0.260 0.000 0.851 365 R HN 0.302 nan 8.270 nan 0.000 0.432 366 L N -0.469 120.597 121.223 -0.261 0.000 2.156 366 L HA -0.005 4.335 4.340 0.001 0.000 0.208 366 L C 0.379 176.710 176.870 -0.898 0.000 1.095 366 L CA 0.801 55.263 54.840 -0.630 0.000 0.770 366 L CB 0.144 41.791 42.059 -0.688 0.000 0.914 366 L HN 0.088 nan 8.230 nan 0.000 0.439 367 F N 0.150 119.983 119.950 -0.195 0.000 2.523 367 F HA 0.304 4.832 4.527 0.001 0.000 0.322 367 F C -2.243 173.447 175.800 -0.183 0.000 1.361 367 F CA -2.227 55.583 58.000 -0.317 0.000 1.151 367 F CB 0.242 38.785 39.000 -0.762 0.000 1.391 367 F HN -0.174 nan 8.300 nan 0.000 0.566 368 P HA 0.148 nan 4.420 nan 0.000 0.277 368 P C 1.143 178.418 177.300 -0.041 0.000 1.354 368 P CA -0.061 63.007 63.100 -0.054 0.000 0.891 368 P CB 0.439 32.087 31.700 -0.087 0.000 1.058 369 I N 1.258 121.803 120.570 -0.042 0.000 2.423 369 I HA -0.195 3.976 4.170 0.001 0.000 0.254 369 I C 1.759 177.854 176.117 -0.036 0.000 1.151 369 I CA 1.482 62.782 61.300 0.001 0.000 1.421 369 I CB -0.844 37.171 38.000 0.025 0.000 1.079 369 I HN 0.125 nan 8.210 nan 0.000 0.431 370 A N 0.509 123.281 122.820 -0.080 0.000 2.067 370 A HA 0.071 4.392 4.320 0.001 0.000 0.217 370 A C 2.044 179.565 177.584 -0.105 0.000 1.156 370 A CA 1.444 53.426 52.037 -0.090 0.000 0.683 370 A CB -0.309 18.632 19.000 -0.097 0.000 0.808 370 A HN 0.616 nan 8.150 nan 0.000 0.455 371 M N -3.614 115.937 119.600 -0.083 0.000 2.769 371 M HA -0.300 4.181 4.480 0.001 0.000 0.134 371 M C 0.365 176.625 176.300 -0.066 0.000 0.714 371 M CA 2.136 57.403 55.300 -0.054 0.000 0.509 371 M CB -0.847 31.707 32.600 -0.076 0.000 1.899 371 M HN 0.419 nan 8.290 nan 0.000 0.252 372 R N 0.245 120.690 120.500 -0.091 0.000 2.621 372 R HA 0.692 5.032 4.340 0.001 0.000 0.292 372 R C -1.460 174.787 176.300 -0.089 0.000 0.969 372 R CA -0.720 55.337 56.100 -0.072 0.000 0.887 372 R CB 1.639 31.915 30.300 -0.040 0.000 1.180 372 R HN -0.020 nan 8.270 nan 0.000 0.450 373 L N 2.514 123.686 121.223 -0.086 0.000 2.357 373 L HA 0.477 4.818 4.340 0.001 0.000 0.273 373 L C 0.180 176.999 176.870 -0.085 0.000 1.080 373 L CA -0.127 54.663 54.840 -0.083 0.000 0.803 373 L CB 1.055 43.065 42.059 -0.081 0.000 1.174 373 L HN 0.720 nan 8.230 nan 0.000 0.443 374 E N 1.649 121.800 120.200 -0.082 0.000 2.413 374 E HA 0.803 5.154 4.350 0.001 0.000 0.277 374 E C -1.248 175.311 176.600 -0.068 0.000 0.958 374 E CA -1.171 55.182 56.400 -0.078 0.000 0.779 374 E CB 2.371 32.036 29.700 -0.058 0.000 1.278 374 E HN 0.402 nan 8.360 nan 0.000 0.456 375 R N 0.943 121.415 120.500 -0.046 0.000 2.566 375 R HA 0.369 4.710 4.340 0.001 0.000 0.271 375 R C -1.578 174.777 176.300 0.092 0.000 1.071 375 R CA -0.607 55.499 56.100 0.010 0.000 0.915 375 R CB 2.491 32.805 30.300 0.022 0.000 1.228 375 R HN 0.440 nan 8.270 nan 0.000 0.449 376 V N 2.547 122.498 119.914 0.062 0.000 2.583 376 V HA 0.171 4.292 4.120 0.001 0.000 0.287 376 V C 0.181 176.285 176.094 0.017 0.000 1.051 376 V CA -0.653 61.671 62.300 0.040 0.000 1.010 376 V CB 1.423 33.243 31.823 -0.005 0.000 0.988 376 V HN 0.817 nan 8.190 nan 0.000 0.478 377 C N 6.218 125.498 119.300 -0.033 0.000 2.442 377 C HA 0.228 4.689 4.460 0.001 0.000 0.362 377 C C 1.770 176.610 174.990 -0.249 0.000 1.242 377 C CA -0.514 58.345 59.018 -0.266 0.000 1.741 377 C CB -0.995 26.654 27.740 -0.152 0.000 2.378 377 C HN 0.998 nan 8.230 nan 0.000 0.549 378 K N 2.986 123.196 120.400 -0.317 0.000 2.155 378 K HA -0.013 4.308 4.320 0.001 0.000 0.203 378 K C 0.463 176.972 176.600 -0.152 0.000 1.052 378 K CA 1.005 57.180 56.287 -0.187 0.000 0.948 378 K CB 0.120 32.522 32.500 -0.164 0.000 0.728 378 K HN 0.804 nan 8.250 nan 0.000 0.448 379 K N 0.234 120.517 120.400 -0.195 0.000 2.575 379 K HA 0.209 4.529 4.320 0.001 0.000 0.279 379 K C -1.695 174.825 176.600 -0.133 0.000 0.969 379 K CA -0.949 55.264 56.287 -0.123 0.000 0.868 379 K CB 1.230 33.679 32.500 -0.086 0.000 1.457 379 K HN -0.318 nan 8.250 nan 0.000 0.426 380 D N 1.055 121.423 120.400 -0.054 0.000 2.571 380 D HA 0.166 4.807 4.640 0.001 0.000 0.231 380 D C -0.651 175.652 176.300 0.006 0.000 1.133 380 D CA 0.362 54.360 54.000 -0.003 0.000 0.862 380 D CB 1.125 42.048 40.800 0.206 0.000 1.179 380 D HN 0.391 nan 8.370 nan 0.000 0.474 381 V N 1.588 121.485 119.914 -0.027 0.000 3.147 381 V HA 0.276 4.397 4.120 0.001 0.000 0.299 381 V C -1.476 174.674 176.094 0.093 0.000 1.302 381 V CA -0.751 61.567 62.300 0.029 0.000 1.015 381 V CB 2.394 34.194 31.823 -0.039 0.000 1.086 381 V HN 0.537 nan 8.190 nan 0.000 0.437 382 E N 4.745 125.029 120.200 0.139 0.000 2.171 382 E HA 0.706 5.057 4.350 0.001 0.000 0.271 382 E C -1.231 175.428 176.600 0.098 0.000 0.916 382 E CA -0.746 55.741 56.400 0.146 0.000 0.774 382 E CB 1.729 31.525 29.700 0.160 0.000 1.128 382 E HN 0.704 nan 8.360 nan 0.000 0.403 383 I N 1.514 122.131 120.570 0.080 0.000 2.534 383 I HA 0.401 4.572 4.170 0.001 0.000 0.288 383 I C -0.274 175.858 176.117 0.025 0.000 1.077 383 I CA -1.004 60.327 61.300 0.052 0.000 1.051 383 I CB 1.848 39.880 38.000 0.053 0.000 1.234 383 I HN 0.569 nan 8.210 nan 0.000 0.425 384 N N 4.203 122.912 118.700 0.016 0.000 2.696 384 N HA -0.249 4.491 4.740 0.001 0.000 0.249 384 N C 1.000 176.524 175.510 0.023 0.000 1.090 384 N CA 1.338 54.394 53.050 0.009 0.000 0.716 384 N CB -0.906 37.574 38.487 -0.013 0.000 1.020 384 N HN 1.407 nan 8.380 nan 0.000 0.548 385 G N -0.506 108.317 108.800 0.040 0.000 2.195 385 G HA2 -0.306 3.655 3.960 0.001 0.000 0.224 385 G HA3 -0.306 3.655 3.960 0.001 0.000 0.224 385 G C -0.095 174.848 174.900 0.072 0.000 0.990 385 G CA 0.349 45.479 45.100 0.050 0.000 0.639 385 G HN 0.448 nan 8.290 nan 0.000 0.514 386 M N 1.138 120.783 119.600 0.075 0.000 2.227 386 M HA 0.711 5.192 4.480 0.001 0.000 0.335 386 M C -0.394 175.990 176.300 0.141 0.000 1.053 386 M CA -1.219 54.140 55.300 0.098 0.000 0.973 386 M CB 0.990 33.622 32.600 0.053 0.000 1.623 386 M HN 0.170 nan 8.290 nan 0.000 0.434 387 F N 6.513 126.482 119.950 0.033 0.000 2.504 387 F HA 0.443 4.971 4.527 0.001 0.000 0.369 387 F C -1.159 174.666 175.800 0.041 0.000 1.082 387 F CA -0.079 57.941 58.000 0.033 0.000 1.216 387 F CB 0.407 39.421 39.000 0.024 0.000 1.108 387 F HN 0.467 nan 8.300 nan 0.000 0.554 388 I N 8.449 128.568 120.570 -0.753 0.000 2.410 388 I HA 0.313 4.484 4.170 0.001 0.000 0.286 388 I C -2.374 173.190 176.117 -0.923 0.000 1.009 388 I CA -2.272 58.646 61.300 -0.637 0.000 1.111 388 I CB 1.738 39.629 38.000 -0.181 0.000 1.262 388 I HN 0.440 nan 8.210 nan 0.000 0.443 389 P HA 0.103 nan 4.420 nan 0.000 0.274 389 P C -0.735 176.418 177.300 -0.244 0.000 1.237 389 P CA -0.714 62.100 63.100 -0.476 0.000 0.793 389 P CB 0.629 32.197 31.700 -0.219 0.000 0.977 390 K N 1.232 121.547 120.400 -0.142 0.000 2.489 390 K HA 0.173 4.494 4.320 0.001 0.000 0.278 390 K C 1.044 177.593 176.600 -0.086 0.000 1.000 390 K CA 1.104 57.327 56.287 -0.107 0.000 1.012 390 K CB -0.820 31.645 32.500 -0.058 0.000 0.903 390 K HN 0.789 nan 8.250 nan 0.000 0.485 391 G N 2.116 110.868 108.800 -0.082 0.000 2.234 391 G HA2 -0.246 3.715 3.960 0.001 0.000 0.235 391 G HA3 -0.246 3.715 3.960 0.001 0.000 0.235 391 G C 0.013 174.883 174.900 -0.049 0.000 0.997 391 G CA 0.040 45.109 45.100 -0.052 0.000 0.623 391 G HN 0.556 nan 8.290 nan 0.000 0.514 392 V N 1.480 121.351 119.914 -0.073 0.000 2.740 392 V HA 0.391 4.512 4.120 0.001 0.000 0.303 392 V C 1.184 177.260 176.094 -0.030 0.000 1.054 392 V CA -0.200 62.059 62.300 -0.070 0.000 1.106 392 V CB 1.731 33.494 31.823 -0.099 0.000 0.957 392 V HN 0.290 nan 8.190 nan 0.000 0.486 393 V N 5.693 125.585 119.914 -0.038 0.000 2.432 393 V HA 0.206 4.327 4.120 0.001 0.000 0.271 393 V C 0.138 176.192 176.094 -0.067 0.000 1.046 393 V CA -0.291 61.989 62.300 -0.034 0.000 0.945 393 V CB 1.452 33.252 31.823 -0.038 0.000 0.992 393 V HN 0.593 nan 8.190 nan 0.000 0.471 394 V N 6.914 126.803 119.914 -0.042 0.000 2.383 394 V HA 0.421 4.541 4.120 0.001 0.000 0.275 394 V C 0.161 176.159 176.094 -0.160 0.000 1.036 394 V CA -0.257 61.968 62.300 -0.125 0.000 0.889 394 V CB 1.379 33.109 31.823 -0.155 0.000 0.985 394 V HN 0.812 nan 8.190 nan 0.000 0.459 395 M N 6.755 126.231 119.600 -0.206 0.000 2.321 395 M HA 0.602 5.083 4.480 0.001 0.000 0.315 395 M C -1.633 174.548 176.300 -0.198 0.000 1.052 395 M CA -0.594 54.608 55.300 -0.163 0.000 0.936 395 M CB 1.647 34.187 32.600 -0.099 0.000 1.639 395 M HN 0.471 nan 8.290 nan 0.000 0.433 396 I N 8.406 128.886 120.570 -0.151 0.000 2.328 396 I HA 0.344 4.515 4.170 0.001 0.000 0.287 396 I C -1.950 174.107 176.117 -0.100 0.000 1.012 396 I CA -1.467 59.746 61.300 -0.145 0.000 1.195 396 I CB 1.553 39.477 38.000 -0.127 0.000 1.350 396 I HN 0.393 nan 8.210 nan 0.000 0.464 397 P HA 0.201 nan 4.420 nan 0.000 0.238 397 P C 0.444 177.707 177.300 -0.061 0.000 1.794 397 P CA -0.110 62.984 63.100 -0.011 0.000 1.088 397 P CB 0.762 32.516 31.700 0.090 0.000 1.923 398 S N 1.598 117.210 115.700 -0.147 0.000 2.369 398 S HA -0.259 4.212 4.470 0.001 0.000 0.225 398 S C 1.533 175.808 174.600 -0.540 0.000 1.043 398 S CA 1.442 59.406 58.200 -0.394 0.000 1.074 398 S CB -1.356 61.598 63.200 -0.409 0.000 0.962 398 S HN 0.428 nan 8.310 nan 0.000 0.433 399 Y N 2.412 122.485 120.300 -0.378 0.000 2.081 399 Y HA -0.264 4.287 4.550 0.001 0.000 0.280 399 Y C 2.504 178.322 175.900 -0.137 0.000 1.163 399 Y CA 1.407 59.351 58.100 -0.261 0.000 1.135 399 Y CB -0.982 37.393 38.460 -0.142 0.000 0.970 399 Y HN 0.205 nan 8.280 nan 0.000 0.498 400 A N 0.267 123.202 122.820 0.192 0.000 1.883 400 A HA -0.194 4.127 4.320 0.001 0.000 0.217 400 A C 2.312 179.968 177.584 0.120 0.000 1.186 400 A CA 2.058 54.200 52.037 0.174 0.000 0.624 400 A CB -1.243 17.876 19.000 0.198 0.000 0.822 400 A HN 0.578 nan 8.150 nan 0.000 0.444 401 L N -1.458 119.809 121.223 0.073 0.000 2.201 401 L HA -0.156 4.185 4.340 0.001 0.000 0.212 401 L C 2.231 179.366 176.870 0.443 0.000 1.105 401 L CA 1.101 56.071 54.840 0.218 0.000 0.775 401 L CB -0.683 41.456 42.059 0.133 0.000 0.913 401 L HN 0.548 nan 8.230 nan 0.000 0.440 402 H N -0.306 118.804 119.070 0.066 0.000 2.561 402 H HA -0.007 4.550 4.556 0.001 0.000 0.278 402 H C 1.340 176.349 175.328 -0.532 0.000 1.014 402 H CA 0.247 56.159 56.048 -0.226 0.000 1.211 402 H CB 0.283 29.852 29.762 -0.323 0.000 1.365 402 H HN 0.281 nan 8.280 nan 0.000 0.594 403 R N 0.249 120.726 120.500 -0.040 0.000 2.565 403 R HA 0.033 4.374 4.340 0.001 0.000 0.347 403 R C -0.431 175.999 176.300 0.218 0.000 1.010 403 R CA -0.231 55.849 56.100 -0.033 0.000 1.126 403 R CB 0.843 31.041 30.300 -0.169 0.000 1.331 403 R HN 0.067 nan 8.270 nan 0.000 0.552 404 D N 2.261 122.929 120.400 0.448 0.000 2.363 404 D HA 0.026 4.667 4.640 0.001 0.000 0.263 404 D C -1.618 174.900 176.300 0.363 0.000 1.258 404 D CA -1.974 52.295 54.000 0.449 0.000 0.907 404 D CB 1.423 42.599 40.800 0.627 0.000 1.107 404 D HN -0.056 nan 8.370 nan 0.000 0.495 405 P HA -0.113 nan 4.420 nan 0.000 0.226 405 P C 1.125 178.425 177.300 0.000 0.000 1.146 405 P CA 0.785 63.939 63.100 0.090 0.000 0.773 405 P CB 0.253 31.966 31.700 0.022 0.000 0.772 406 K N -1.082 119.280 120.400 -0.063 0.000 2.097 406 K HA -0.126 4.195 4.320 0.001 0.000 0.205 406 K C 1.093 177.404 176.600 -0.481 0.000 1.050 406 K CA 1.375 57.477 56.287 -0.309 0.000 0.938 406 K CB -0.130 32.099 32.500 -0.451 0.000 0.718 406 K HN 0.179 nan 8.250 nan 0.000 0.442 407 Y N -2.343 117.851 120.300 -0.177 0.000 2.462 407 Y HA 0.154 4.705 4.550 0.001 0.000 0.253 407 Y C -0.314 175.179 175.900 -0.678 0.000 1.095 407 Y CA -0.582 57.215 58.100 -0.504 0.000 1.283 407 Y CB 0.584 38.600 38.460 -0.741 0.000 1.138 407 Y HN -0.007 nan 8.280 nan 0.000 0.522 408 W N 1.352 122.693 121.300 0.068 0.000 2.463 408 W HA 0.423 5.084 4.660 0.001 0.000 0.316 408 W C -0.312 176.185 176.519 -0.037 0.000 1.004 408 W CA -1.325 56.011 57.345 -0.015 0.000 1.309 408 W CB 0.854 30.305 29.460 -0.017 0.000 1.288 408 W HN -0.261 nan 8.180 nan 0.000 0.423 409 T N -0.512 114.119 114.554 0.128 0.000 2.870 409 T HA 0.197 4.548 4.350 0.001 0.000 0.300 409 T C 0.354 175.096 174.700 0.070 0.000 0.989 409 T CA -0.110 62.027 62.100 0.062 0.000 1.139 409 T CB 0.738 69.614 68.868 0.013 0.000 0.920 409 T HN 0.615 nan 8.240 nan 0.000 0.537 410 E N 2.541 122.770 120.200 0.049 0.000 2.291 410 E HA -0.126 4.225 4.350 0.001 0.000 0.181 410 E C -1.770 174.851 176.600 0.035 0.000 1.480 410 E CA 0.243 56.664 56.400 0.036 0.000 0.674 410 E CB -0.599 29.117 29.700 0.025 0.000 1.108 410 E HN 0.683 nan 8.360 nan 0.000 0.357 411 P HA -0.159 nan 4.420 nan 0.000 0.226 411 P C 0.600 177.855 177.300 -0.075 0.000 1.153 411 P CA 1.204 64.303 63.100 -0.001 0.000 0.777 411 P CB 0.315 32.040 31.700 0.042 0.000 0.794 412 E N -0.501 119.679 120.200 -0.032 0.000 2.216 412 E HA -0.009 4.342 4.350 0.001 0.000 0.192 412 E C 0.841 177.442 176.600 0.003 0.000 0.988 412 E CA 0.777 57.160 56.400 -0.030 0.000 0.834 412 E CB -0.414 29.288 29.700 0.003 0.000 0.772 412 E HN 0.156 nan 8.360 nan 0.000 0.479 413 K N 0.794 121.207 120.400 0.021 0.000 2.174 413 K HA 0.177 4.498 4.320 0.001 0.000 0.275 413 K C -0.642 176.000 176.600 0.070 0.000 1.015 413 K CA -0.722 55.611 56.287 0.077 0.000 0.933 413 K CB 0.610 33.151 32.500 0.069 0.000 1.025 413 K HN 0.042 nan 8.250 nan 0.000 0.463 414 F N 4.554 124.477 119.950 -0.044 0.000 2.439 414 F HA 0.187 4.715 4.527 0.001 0.000 0.356 414 F C -0.474 175.216 175.800 -0.183 0.000 1.161 414 F CA -0.307 57.599 58.000 -0.157 0.000 1.151 414 F CB -0.069 38.754 39.000 -0.294 0.000 1.222 414 F HN 0.256 nan 8.300 nan 0.000 0.558 415 L N 9.365 130.279 121.223 -0.515 0.000 2.490 415 L HA 0.291 4.631 4.340 0.001 0.000 0.256 415 L C -1.888 174.724 176.870 -0.430 0.000 1.089 415 L CA -1.558 53.047 54.840 -0.390 0.000 0.916 415 L CB 1.467 43.432 42.059 -0.158 0.000 1.188 415 L HN 0.362 nan 8.230 nan 0.000 0.476 416 P HA -0.197 nan 4.420 nan 0.000 0.221 416 P C 0.995 178.216 177.300 -0.131 0.000 1.141 416 P CA 1.109 63.961 63.100 -0.413 0.000 0.794 416 P CB 0.253 31.641 31.700 -0.520 0.000 0.764 417 E N -0.816 119.340 120.200 -0.074 0.000 2.472 417 E HA -0.105 4.246 4.350 0.001 0.000 0.200 417 E C 1.835 178.410 176.600 -0.041 0.000 1.046 417 E CA 0.537 56.933 56.400 -0.006 0.000 0.871 417 E CB -0.359 29.343 29.700 0.003 0.000 0.806 417 E HN 0.408 nan 8.360 nan 0.000 0.533 418 R N -0.374 120.073 120.500 -0.088 0.000 2.096 418 R HA -0.062 4.279 4.340 0.001 0.000 0.235 418 R C 1.367 177.497 176.300 -0.283 0.000 1.127 418 R CA 1.014 57.002 56.100 -0.187 0.000 0.968 418 R CB -0.161 29.984 30.300 -0.258 0.000 0.861 418 R HN 0.127 nan 8.270 nan 0.000 0.440 419 F N 0.841 120.723 119.950 -0.114 0.000 2.660 419 F HA 0.095 4.622 4.527 0.001 0.000 0.302 419 F C 1.018 176.773 175.800 -0.074 0.000 1.103 419 F CA -0.433 57.499 58.000 -0.114 0.000 1.340 419 F CB 0.135 39.035 39.000 -0.166 0.000 1.048 419 F HN -0.107 nan 8.300 nan 0.000 0.551 420 S N -0.468 115.272 115.700 0.068 0.000 2.573 420 S HA 0.011 4.482 4.470 0.001 0.000 0.277 420 S C 1.447 176.066 174.600 0.031 0.000 1.346 420 S CA -0.623 57.611 58.200 0.056 0.000 1.034 420 S CB 1.153 64.379 63.200 0.043 0.000 0.879 420 S HN 0.194 nan 8.310 nan 0.000 0.528 421 K N 2.060 122.480 120.400 0.033 0.000 2.089 421 K HA -0.200 4.121 4.320 0.001 0.000 0.210 421 K C 2.169 178.770 176.600 0.002 0.000 1.048 421 K CA 2.297 58.595 56.287 0.019 0.000 0.926 421 K CB -0.319 32.192 32.500 0.018 0.000 0.714 421 K HN 0.888 nan 8.250 nan 0.000 0.448 422 K N -0.741 119.657 120.400 -0.003 0.000 2.228 422 K HA -0.014 4.306 4.320 0.001 0.000 0.202 422 K C 1.177 177.759 176.600 -0.031 0.000 1.051 422 K CA 1.409 57.687 56.287 -0.015 0.000 0.960 422 K CB 0.061 32.553 32.500 -0.013 0.000 0.743 422 K HN 0.012 nan 8.250 nan 0.000 0.458 423 N N 1.112 119.788 118.700 -0.040 0.000 2.405 423 N HA -0.018 4.723 4.740 0.001 0.000 0.175 423 N C 1.156 176.604 175.510 -0.104 0.000 1.051 423 N CA 0.491 53.497 53.050 -0.074 0.000 0.899 423 N CB 0.180 38.616 38.487 -0.085 0.000 1.000 423 N HN 0.251 nan 8.380 nan 0.000 0.451 424 K N 1.426 121.781 120.400 -0.075 0.000 2.089 424 K HA -0.152 4.168 4.320 0.001 0.000 0.210 424 K C 0.827 177.372 176.600 -0.092 0.000 1.048 424 K CA 1.718 57.959 56.287 -0.076 0.000 0.926 424 K CB 0.024 32.522 32.500 -0.004 0.000 0.714 424 K HN 0.330 nan 8.250 nan 0.000 0.448 425 D N -0.533 119.825 120.400 -0.070 0.000 2.378 425 D HA -0.109 4.532 4.640 0.001 0.000 0.227 425 D C 0.547 176.796 176.300 -0.085 0.000 1.012 425 D CA 0.800 54.763 54.000 -0.063 0.000 0.905 425 D CB -0.288 40.488 40.800 -0.040 0.000 0.895 425 D HN 0.442 nan 8.370 nan 0.000 0.532 426 N N 0.496 119.121 118.700 -0.126 0.000 2.388 426 N HA 0.041 4.781 4.740 0.001 0.000 0.176 426 N C 0.777 176.158 175.510 -0.216 0.000 1.062 426 N CA -0.210 52.752 53.050 -0.147 0.000 0.895 426 N CB -0.257 38.141 38.487 -0.149 0.000 1.018 426 N HN 0.125 nan 8.380 nan 0.000 0.456 427 I N 1.659 122.061 120.570 -0.279 0.000 2.598 427 I HA -0.049 4.121 4.170 0.001 0.000 0.284 427 I C 0.199 176.189 176.117 -0.212 0.000 1.140 427 I CA 0.068 61.146 61.300 -0.370 0.000 1.420 427 I CB 0.162 37.944 38.000 -0.363 0.000 1.387 427 I HN 0.194 nan 8.210 nan 0.000 0.553 428 D N 9.701 129.960 120.400 -0.236 0.000 2.351 428 D HA 0.111 4.751 4.640 0.001 0.000 0.251 428 D C -1.415 174.831 176.300 -0.090 0.000 1.137 428 D CA -1.786 52.130 54.000 -0.141 0.000 0.879 428 D CB 1.635 42.322 40.800 -0.187 0.000 1.181 428 D HN 0.295 nan 8.370 nan 0.000 0.448 429 P HA -0.078 nan 4.420 nan 0.000 0.237 429 P C 0.504 177.600 177.300 -0.339 0.000 1.178 429 P CA 0.802 63.769 63.100 -0.221 0.000 0.766 429 P CB 0.036 31.497 31.700 -0.398 0.000 0.876 430 Y N -1.591 118.715 120.300 0.009 0.000 2.449 430 Y HA 0.128 4.678 4.550 0.001 0.000 0.254 430 Y C 2.300 178.183 175.900 -0.029 0.000 1.140 430 Y CA -0.324 57.767 58.100 -0.015 0.000 1.272 430 Y CB -0.103 38.330 38.460 -0.044 0.000 1.114 430 Y HN -0.190 nan 8.280 nan 0.000 0.525 431 I N -0.908 119.688 120.570 0.043 0.000 2.400 431 I HA -0.193 3.978 4.170 0.001 0.000 0.248 431 I C 0.380 176.708 176.117 0.353 0.000 1.109 431 I CA 0.795 62.113 61.300 0.030 0.000 1.425 431 I CB -0.749 37.036 38.000 -0.358 0.000 1.094 431 I HN 0.111 nan 8.210 nan 0.000 0.425 432 Y N 2.878 123.301 120.300 0.205 0.000 2.477 432 Y HA 0.248 4.799 4.550 0.001 0.000 0.349 432 Y C 0.098 176.131 175.900 0.222 0.000 0.977 432 Y CA -0.312 57.917 58.100 0.215 0.000 1.214 432 Y CB 0.433 39.029 38.460 0.226 0.000 1.124 432 Y HN 0.086 nan 8.280 nan 0.000 0.521 433 T N 4.281 118.885 114.554 0.083 0.000 3.839 433 T HA 0.218 4.568 4.350 0.001 0.000 0.230 433 T C -2.291 172.324 174.700 -0.143 0.000 1.095 433 T CA -1.265 60.804 62.100 -0.050 0.000 1.470 433 T CB 0.590 69.478 68.868 0.032 0.000 0.881 433 T HN 0.455 nan 8.240 nan 0.000 0.637 434 P HA 0.051 nan 4.420 nan 0.000 0.220 434 P C 0.348 177.314 177.300 -0.556 0.000 1.148 434 P CA 0.682 63.514 63.100 -0.447 0.000 0.803 434 P CB -0.132 31.166 31.700 -0.670 0.000 0.782 435 F N -0.812 119.049 119.950 -0.148 0.000 2.683 435 F HA 0.446 4.974 4.527 0.001 0.000 0.306 435 F C 1.643 177.405 175.800 -0.063 0.000 1.102 435 F CA 0.360 58.304 58.000 -0.094 0.000 1.244 435 F CB 0.110 39.055 39.000 -0.092 0.000 1.029 435 F HN 0.022 nan 8.300 nan 0.000 0.545 436 G N 0.717 109.549 108.800 0.054 0.000 2.645 436 G HA2 -0.019 3.942 3.960 0.001 0.000 0.239 436 G HA3 -0.019 3.942 3.960 0.001 0.000 0.239 436 G C -0.409 174.531 174.900 0.066 0.000 1.331 436 G CA -0.204 44.921 45.100 0.041 0.000 0.890 436 G HN 0.476 nan 8.290 nan 0.000 0.572 437 S N -1.216 114.525 115.700 0.068 0.000 2.547 437 S HA 0.832 5.303 4.470 0.001 0.000 0.270 437 S C 0.383 175.035 174.600 0.086 0.000 1.150 437 S CA 1.271 59.527 58.200 0.093 0.000 0.850 437 S CB 1.034 64.332 63.200 0.162 0.000 1.118 437 S HN 3.035 nan 8.310 nan 0.000 0.461 438 G N 3.848 112.704 108.800 0.094 0.000 2.660 438 G HA2 -0.108 3.853 3.960 0.001 0.000 0.247 438 G HA3 -0.108 3.853 3.960 0.001 0.000 0.247 438 G C -2.462 172.486 174.900 0.081 0.000 1.328 438 G CA -0.171 44.970 45.100 0.069 0.000 0.884 438 G HN 0.585 nan 8.290 nan 0.000 0.531 439 P HA -0.042 nan 4.420 nan 0.000 0.218 439 P C 1.426 178.934 177.300 0.346 0.000 1.146 439 P CA 1.641 64.844 63.100 0.171 0.000 0.813 439 P CB 0.048 31.767 31.700 0.031 0.000 0.778 440 R N -0.465 120.170 120.500 0.224 0.000 2.633 440 R HA 0.087 4.428 4.340 0.001 0.000 0.348 440 R C 0.647 177.034 176.300 0.146 0.000 1.100 440 R CA -0.371 55.872 56.100 0.238 0.000 1.068 440 R CB -0.347 29.886 30.300 -0.110 0.000 1.351 440 R HN 0.200 nan 8.270 nan 0.000 0.575 441 N N -0.400 118.387 118.700 0.145 0.000 2.290 441 N HA -0.112 4.629 4.740 0.001 0.000 0.269 441 N C -0.282 175.311 175.510 0.138 0.000 1.295 441 N CA -0.347 52.774 53.050 0.118 0.000 0.932 441 N CB -0.056 38.493 38.487 0.103 0.000 1.128 441 N HN 0.041 nan 8.380 nan 0.000 0.532 442 C N 0.784 120.168 119.300 0.139 0.000 2.663 442 C HA 0.168 4.629 4.460 0.001 0.000 0.398 442 C C 2.250 177.286 174.990 0.077 0.000 1.356 442 C CA -0.687 58.414 59.018 0.137 0.000 1.629 442 C CB -2.290 25.607 27.740 0.261 0.000 2.402 442 C HN 0.656 nan 8.230 nan 0.000 0.598 443 I N 4.405 125.038 120.570 0.105 0.000 2.423 443 I HA -0.043 4.127 4.170 0.001 0.000 0.254 443 I C 1.978 178.112 176.117 0.028 0.000 1.151 443 I CA 1.890 63.274 61.300 0.141 0.000 1.421 443 I CB 0.023 38.178 38.000 0.259 0.000 1.079 443 I HN 0.917 nan 8.210 nan 0.000 0.431 444 G N -0.165 108.534 108.800 -0.170 0.000 3.707 444 G HA2 0.051 4.012 3.960 0.001 0.000 0.286 444 G HA3 0.051 4.012 3.960 0.001 0.000 0.286 444 G C 1.113 175.774 174.900 -0.397 0.000 1.112 444 G CA -0.297 44.477 45.100 -0.543 0.000 0.861 444 G HN 0.278 nan 8.290 nan 0.000 0.534 445 M N 0.423 119.816 119.600 -0.345 0.000 2.115 445 M HA -0.131 4.350 4.480 0.001 0.000 0.258 445 M C 2.623 178.565 176.300 -0.597 0.000 1.071 445 M CA 1.695 56.593 55.300 -0.671 0.000 1.100 445 M CB -0.090 32.034 32.600 -0.794 0.000 1.292 445 M HN 0.197 nan 8.290 nan 0.000 0.415 446 R N -0.805 119.460 120.500 -0.392 0.000 2.115 446 R HA -0.137 4.203 4.340 0.001 0.000 0.230 446 R C 2.203 178.399 176.300 -0.173 0.000 1.111 446 R CA 1.828 57.782 56.100 -0.243 0.000 0.976 446 R CB -0.705 29.542 30.300 -0.090 0.000 0.870 446 R HN 0.547 nan 8.270 nan 0.000 0.445 447 F N 1.476 121.175 119.950 -0.418 0.000 2.075 447 F HA -0.212 4.316 4.527 0.001 0.000 0.297 447 F C 2.340 177.992 175.800 -0.247 0.000 1.113 447 F CA 1.577 59.357 58.000 -0.366 0.000 1.218 447 F CB -0.241 38.269 39.000 -0.817 0.000 0.984 447 F HN -0.026 nan 8.300 nan 0.000 0.472 448 A N 1.209 123.684 122.820 -0.575 0.000 1.908 448 A HA -0.154 4.167 4.320 0.001 0.000 0.218 448 A C 2.277 179.659 177.584 -0.337 0.000 1.181 448 A CA 1.916 53.645 52.037 -0.513 0.000 0.627 448 A CB -1.260 17.628 19.000 -0.187 0.000 0.818 448 A HN 0.558 nan 8.150 nan 0.000 0.445 449 L N -1.419 119.649 121.223 -0.259 0.000 1.994 449 L HA -0.228 4.112 4.340 0.001 0.000 0.208 449 L C 2.876 179.638 176.870 -0.181 0.000 1.071 449 L CA 1.997 56.728 54.840 -0.182 0.000 0.745 449 L CB -0.494 41.445 42.059 -0.199 0.000 0.892 449 L HN 0.562 nan 8.230 nan 0.000 0.431 450 M N -0.098 119.396 119.600 -0.178 0.000 2.080 450 M HA -0.280 4.201 4.480 0.001 0.000 0.260 450 M C 2.127 178.353 176.300 -0.123 0.000 1.068 450 M CA 2.051 57.282 55.300 -0.116 0.000 1.109 450 M CB -0.413 32.183 32.600 -0.008 0.000 1.342 450 M HN 0.336 nan 8.290 nan 0.000 0.405 451 N N -0.253 118.295 118.700 -0.253 0.000 2.244 451 N HA -0.153 4.588 4.740 0.001 0.000 0.183 451 N C 1.685 177.129 175.510 -0.109 0.000 1.016 451 N CA 1.261 54.178 53.050 -0.222 0.000 0.866 451 N CB 0.011 38.147 38.487 -0.585 0.000 0.980 451 N HN 0.448 nan 8.380 nan 0.000 0.430 452 M N 0.537 120.028 119.600 -0.181 0.000 2.156 452 M HA -0.071 4.410 4.480 0.001 0.000 0.264 452 M C 2.006 178.219 176.300 -0.146 0.000 1.067 452 M CA 1.224 56.422 55.300 -0.171 0.000 1.131 452 M CB -0.050 32.436 32.600 -0.190 0.000 1.368 452 M HN 0.014 nan 8.290 nan 0.000 0.416 453 K N 0.173 120.501 120.400 -0.119 0.000 2.097 453 K HA -0.143 4.178 4.320 0.001 0.000 0.206 453 K C 1.838 178.406 176.600 -0.053 0.000 1.049 453 K CA 0.981 57.215 56.287 -0.090 0.000 0.933 453 K CB -0.112 32.334 32.500 -0.090 0.000 0.717 453 K HN 0.103 nan 8.250 nan 0.000 0.442 454 L N 0.922 122.130 121.223 -0.024 0.000 1.976 454 L HA -0.154 4.187 4.340 0.001 0.000 0.209 454 L C 2.363 179.243 176.870 0.016 0.000 1.071 454 L CA 1.920 56.779 54.840 0.032 0.000 0.746 454 L CB -1.226 40.893 42.059 0.100 0.000 0.890 454 L HN 0.148 nan 8.230 nan 0.000 0.432 455 A N -0.920 121.882 122.820 -0.030 0.000 1.892 455 A HA -0.239 4.081 4.320 0.001 0.000 0.218 455 A C 2.207 179.737 177.584 -0.091 0.000 1.188 455 A CA 1.938 53.862 52.037 -0.188 0.000 0.631 455 A CB -0.923 17.821 19.000 -0.426 0.000 0.822 455 A HN 0.345 nan 8.150 nan 0.000 0.447 456 L N -0.371 120.788 121.223 -0.107 0.000 2.042 456 L HA -0.172 4.169 4.340 0.001 0.000 0.210 456 L C 2.441 179.316 176.870 0.009 0.000 1.076 456 L CA 1.612 56.413 54.840 -0.064 0.000 0.749 456 L CB -0.884 41.116 42.059 -0.099 0.000 0.893 456 L HN 0.447 nan 8.230 nan 0.000 0.432 457 I N -1.282 119.291 120.570 0.006 0.000 2.113 457 I HA -0.299 3.871 4.170 0.001 0.000 0.238 457 I C 2.547 178.693 176.117 0.047 0.000 1.070 457 I CA 0.857 62.173 61.300 0.027 0.000 1.332 457 I CB -0.358 37.653 38.000 0.019 0.000 1.044 457 I HN 0.197 nan 8.210 nan 0.000 0.402 458 R N 0.486 121.016 120.500 0.050 0.000 2.103 458 R HA -0.139 4.201 4.340 0.001 0.000 0.242 458 R C 2.235 178.607 176.300 0.120 0.000 1.142 458 R CA 1.180 57.321 56.100 0.069 0.000 0.960 458 R CB -1.294 29.047 30.300 0.068 0.000 0.858 458 R HN 0.294 nan 8.270 nan 0.000 0.439 459 V N 0.834 120.848 119.914 0.167 0.000 2.283 459 V HA -0.163 3.958 4.120 0.001 0.000 0.243 459 V C 2.238 178.525 176.094 0.321 0.000 1.039 459 V CA 1.229 63.727 62.300 0.330 0.000 1.016 459 V CB -0.352 31.681 31.823 0.349 0.000 0.650 459 V HN 0.090 nan 8.190 nan 0.000 0.449 460 L N 0.627 121.973 121.223 0.204 0.000 2.217 460 L HA -0.117 4.224 4.340 0.001 0.000 0.211 460 L C 2.499 179.423 176.870 0.091 0.000 1.107 460 L CA 1.712 56.656 54.840 0.175 0.000 0.783 460 L CB -1.178 40.957 42.059 0.127 0.000 0.919 460 L HN 0.630 nan 8.230 nan 0.000 0.442 461 Q N -2.160 117.666 119.800 0.044 0.000 2.482 461 Q HA -0.067 4.274 4.340 0.001 0.000 0.209 461 Q C 0.989 176.929 176.000 -0.099 0.000 0.961 461 Q CA 0.912 56.707 55.803 -0.013 0.000 0.945 461 Q CB 0.002 28.735 28.738 -0.008 0.000 1.012 461 Q HN 0.471 nan 8.270 nan 0.000 0.515 462 N N -1.093 117.502 118.700 -0.176 0.000 2.380 462 N HA 0.208 4.949 4.740 0.001 0.000 0.227 462 N C -0.731 174.297 175.510 -0.802 0.000 1.139 462 N CA 0.295 53.009 53.050 -0.559 0.000 0.843 462 N CB 0.802 38.806 38.487 -0.804 0.000 1.327 462 N HN 0.054 nan 8.380 nan 0.000 0.470 463 F N 0.187 120.163 119.950 0.043 0.000 2.640 463 F HA 0.523 5.051 4.527 0.001 0.000 0.324 463 F C 0.035 175.864 175.800 0.048 0.000 1.077 463 F CA -0.754 57.242 58.000 -0.007 0.000 0.965 463 F CB 1.734 40.683 39.000 -0.085 0.000 1.351 463 F HN -0.411 nan 8.300 nan 0.000 0.487 464 S N 0.297 116.102 115.700 0.175 0.000 2.548 464 S HA 0.697 5.168 4.470 0.001 0.000 0.286 464 S C -1.588 173.018 174.600 0.009 0.000 1.098 464 S CA -0.602 57.697 58.200 0.165 0.000 0.930 464 S CB 1.278 64.538 63.200 0.100 0.000 1.070 464 S HN 0.368 nan 8.310 nan 0.000 0.480 465 F N 2.285 122.270 119.950 0.058 0.000 2.426 465 F HA 0.502 5.030 4.527 0.001 0.000 0.348 465 F C 0.503 176.304 175.800 0.002 0.000 1.124 465 F CA -0.724 57.290 58.000 0.023 0.000 1.008 465 F CB 1.297 40.311 39.000 0.023 0.000 1.139 465 F HN 0.101 nan 8.300 nan 0.000 0.452 466 K N 4.552 125.008 120.400 0.093 0.000 2.259 466 K HA 0.455 4.775 4.320 0.001 0.000 0.252 466 K C -2.807 173.820 176.600 0.044 0.000 0.936 466 K CA -2.210 54.105 56.287 0.047 0.000 0.810 466 K CB 1.993 34.496 32.500 0.005 0.000 1.143 466 K HN 0.198 nan 8.250 nan 0.000 0.427 467 P HA 0.085 nan 4.420 nan 0.000 0.271 467 P C 0.174 177.481 177.300 0.012 0.000 1.216 467 P CA -0.299 62.809 63.100 0.014 0.000 0.776 467 P CB 0.588 32.275 31.700 -0.021 0.000 0.881 468 C N 2.769 122.081 119.300 0.020 0.000 3.798 468 C HA 0.533 4.994 4.460 0.001 0.000 0.303 468 C C 2.077 177.075 174.990 0.013 0.000 3.510 468 C CA -0.206 58.818 59.018 0.010 0.000 1.778 468 C CB -0.037 27.705 27.740 0.003 0.000 3.915 468 C HN 0.403 nan 8.230 nan 0.000 0.510 469 K N 0.704 121.109 120.400 0.009 0.000 1.991 469 K HA -0.033 4.288 4.320 0.001 0.000 0.207 469 K C 1.962 178.572 176.600 0.017 0.000 1.045 469 K CA 2.333 58.626 56.287 0.010 0.000 0.937 469 K CB -0.673 31.829 32.500 0.005 0.000 0.720 469 K HN 0.772 nan 8.250 nan 0.000 0.438 470 E N 0.252 120.462 120.200 0.017 0.000 2.478 470 E HA -0.030 4.321 4.350 0.001 0.000 0.198 470 E C -0.627 175.992 176.600 0.033 0.000 1.046 470 E CA 0.383 56.794 56.400 0.020 0.000 0.870 470 E CB -0.271 29.436 29.700 0.013 0.000 0.818 470 E HN 0.247 nan 8.360 nan 0.000 0.527 471 T N 1.315 115.896 114.554 0.045 0.000 2.902 471 T HA -0.039 4.312 4.350 0.001 0.000 0.301 471 T C -0.008 174.743 174.700 0.086 0.000 1.012 471 T CA -0.055 62.091 62.100 0.076 0.000 1.151 471 T CB 0.890 69.813 68.868 0.091 0.000 0.946 471 T HN 0.170 nan 8.240 nan 0.000 0.542 472 Q N 2.907 122.767 119.800 0.100 0.000 2.361 472 Q HA 0.436 4.777 4.340 0.001 0.000 0.250 472 Q C -0.978 175.115 176.000 0.154 0.000 1.023 472 Q CA -0.165 55.690 55.803 0.086 0.000 0.915 472 Q CB 0.123 28.884 28.738 0.037 0.000 1.238 472 Q HN 0.618 nan 8.270 nan 0.000 0.451 473 I N 5.967 126.617 120.570 0.133 0.000 2.466 473 I HA 0.395 4.565 4.170 0.001 0.000 0.289 473 I C -1.864 174.315 176.117 0.102 0.000 1.026 473 I CA -2.175 59.221 61.300 0.160 0.000 1.078 473 I CB 1.715 39.791 38.000 0.127 0.000 1.249 473 I HN 0.616 nan 8.210 nan 0.000 0.429 474 P HA 0.278 nan 4.420 nan 0.000 0.274 474 P C -0.593 176.776 177.300 0.114 0.000 1.256 474 P CA -0.683 62.512 63.100 0.158 0.000 0.795 474 P CB 0.748 32.521 31.700 0.123 0.000 1.038 475 L N 1.011 122.281 121.223 0.078 0.000 2.416 475 L HA 0.162 4.503 4.340 0.001 0.000 0.272 475 L C 0.222 177.096 176.870 0.006 0.000 1.161 475 L CA 0.229 55.008 54.840 -0.101 0.000 0.845 475 L CB 0.230 42.036 42.059 -0.421 0.000 1.119 475 L HN 0.417 nan 8.230 nan 0.000 0.464 476 K N 4.336 124.739 120.400 0.004 0.000 2.378 476 K HA 0.497 4.818 4.320 0.001 0.000 0.252 476 K C -1.410 175.215 176.600 0.041 0.000 0.931 476 K CA -0.900 55.404 56.287 0.028 0.000 0.794 476 K CB 2.331 34.841 32.500 0.017 0.000 1.181 476 K HN 0.261 nan 8.250 nan 0.000 0.425 477 L N 1.627 122.880 121.223 0.049 0.000 2.334 477 L HA 0.319 4.660 4.340 0.001 0.000 0.275 477 L C 0.712 177.601 176.870 0.033 0.000 1.036 477 L CA -0.113 54.766 54.840 0.065 0.000 0.807 477 L CB 1.473 43.569 42.059 0.062 0.000 1.231 477 L HN 0.744 nan 8.230 nan 0.000 0.438 478 S N 2.214 117.943 115.700 0.049 0.000 2.617 478 S HA 0.405 4.876 4.470 0.001 0.000 0.259 478 S C 0.233 174.857 174.600 0.039 0.000 1.301 478 S CA -0.451 57.773 58.200 0.039 0.000 0.984 478 S CB 0.226 63.456 63.200 0.050 0.000 0.954 478 S HN 0.432 nan 8.310 nan 0.000 0.572 479 L N 1.553 122.807 121.223 0.051 0.000 3.029 479 L HA 0.468 4.809 4.340 0.001 0.000 0.231 479 L C 0.909 177.896 176.870 0.196 0.000 1.327 479 L CA -0.461 54.420 54.840 0.068 0.000 1.166 479 L CB -0.554 41.476 42.059 -0.048 0.000 1.532 479 L HN 0.850 nan 8.230 nan 0.000 0.473 480 G N -0.911 107.995 108.800 0.177 0.000 2.705 480 G HA2 0.464 4.425 3.960 0.001 0.000 0.299 480 G HA3 0.464 4.425 3.960 0.001 0.000 0.299 480 G C 0.774 175.803 174.900 0.214 0.000 1.315 480 G CA 0.006 45.184 45.100 0.131 0.000 1.045 480 G HN 0.207 nan 8.290 nan 0.000 0.517 481 G N -1.392 107.486 108.800 0.131 0.000 2.494 481 G HA2 0.211 4.172 3.960 0.001 0.000 0.216 481 G HA3 0.211 4.172 3.960 0.001 0.000 0.216 481 G C 0.602 175.469 174.900 -0.055 0.000 1.140 481 G CA 0.254 45.420 45.100 0.110 0.000 0.801 481 G HN 0.328 nan 8.290 nan 0.000 0.536 482 L N -0.057 121.150 121.223 -0.026 0.000 2.319 482 L HA 0.483 4.823 4.340 0.001 0.000 0.267 482 L C -0.723 176.158 176.870 0.018 0.000 1.011 482 L CA -1.221 53.611 54.840 -0.012 0.000 0.818 482 L CB 2.229 44.304 42.059 0.026 0.000 1.316 482 L HN -0.090 nan 8.230 nan 0.000 0.432 483 L N 2.342 123.594 121.223 0.048 0.000 2.433 483 L HA 0.195 4.536 4.340 0.001 0.000 0.275 483 L C -0.176 176.822 176.870 0.214 0.000 1.128 483 L CA 0.866 55.771 54.840 0.109 0.000 0.875 483 L CB 0.306 42.424 42.059 0.097 0.000 1.171 483 L HN 0.572 nan 8.230 nan 0.000 0.463 484 Q N 7.035 126.951 119.800 0.193 0.000 2.331 484 Q HA 0.563 4.903 4.340 0.001 0.000 0.272 484 Q C -2.736 173.371 176.000 0.178 0.000 1.062 484 Q CA -1.946 53.956 55.803 0.165 0.000 0.806 484 Q CB 2.752 31.515 28.738 0.041 0.000 1.312 484 Q HN 0.331 nan 8.270 nan 0.000 0.431 485 P HA 0.042 nan 4.420 nan 0.000 0.279 485 P C -1.135 176.181 177.300 0.026 0.000 1.239 485 P CA -0.043 63.114 63.100 0.094 0.000 0.789 485 P CB 0.743 32.451 31.700 0.013 0.000 0.933 486 E N 3.495 123.711 120.200 0.026 0.000 2.290 486 E HA 0.118 4.468 4.350 0.001 0.000 0.277 486 E C -0.804 175.798 176.600 0.002 0.000 1.035 486 E CA -0.606 55.803 56.400 0.016 0.000 0.873 486 E CB 0.033 29.743 29.700 0.017 0.000 1.029 486 E HN 0.280 nan 8.360 nan 0.000 0.419 487 K N 2.283 122.683 120.400 0.000 0.000 7.188 487 K HA -0.106 4.215 4.320 0.001 0.000 0.734 487 K C -2.492 174.091 176.600 -0.028 0.000 2.514 487 K CA 0.118 56.401 56.287 -0.007 0.000 1.818 487 K CB -0.837 31.664 32.500 0.001 0.000 2.025 487 K HN 0.592 nan 8.250 nan 0.000 0.292 488 P HA -0.035 nan 4.420 nan 0.000 0.267 488 P C -0.381 176.884 177.300 -0.059 0.000 1.201 488 P CA -0.442 62.621 63.100 -0.061 0.000 0.775 488 P CB 0.506 32.180 31.700 -0.043 0.000 0.854 489 V N 3.534 123.393 119.914 -0.091 0.000 2.446 489 V HA 0.052 4.173 4.120 0.001 0.000 0.276 489 V C 0.382 176.473 176.094 -0.005 0.000 1.030 489 V CA 0.250 62.518 62.300 -0.054 0.000 1.033 489 V CB 0.539 32.302 31.823 -0.099 0.000 0.993 489 V HN 0.200 nan 8.190 nan 0.000 0.477 490 V N 7.622 127.554 119.914 0.030 0.000 2.409 490 V HA 0.562 4.683 4.120 0.001 0.000 0.291 490 V C -0.083 176.052 176.094 0.069 0.000 1.020 490 V CA -0.370 61.951 62.300 0.036 0.000 0.848 490 V CB 1.515 33.350 31.823 0.020 0.000 0.990 490 V HN 0.643 nan 8.190 nan 0.000 0.430 491 L N 3.464 124.739 121.223 0.087 0.000 2.303 491 L HA 0.669 5.010 4.340 0.001 0.000 0.256 491 L C -0.447 176.460 176.870 0.062 0.000 1.034 491 L CA -0.919 53.996 54.840 0.124 0.000 0.832 491 L CB 2.728 44.949 42.059 0.269 0.000 1.403 491 L HN 0.479 nan 8.230 nan 0.000 0.419 492 K N 0.365 120.776 120.400 0.018 0.000 2.164 492 K HA 0.676 4.997 4.320 0.001 0.000 0.258 492 K C -1.524 174.936 176.600 -0.233 0.000 0.951 492 K CA -0.567 55.670 56.287 -0.084 0.000 0.844 492 K CB 1.947 34.412 32.500 -0.058 0.000 1.099 492 K HN 0.319 nan 8.250 nan 0.000 0.435 493 V N 3.538 123.246 119.914 -0.342 0.000 2.378 493 V HA 0.289 4.410 4.120 0.001 0.000 0.288 493 V C -0.563 175.356 176.094 -0.293 0.000 1.016 493 V CA -0.791 61.167 62.300 -0.569 0.000 0.840 493 V CB 1.214 32.578 31.823 -0.765 0.000 0.994 493 V HN 0.814 nan 8.190 nan 0.000 0.431 494 E N 2.091 122.173 120.200 -0.197 0.000 2.214 494 E HA 0.543 4.894 4.350 0.001 0.000 0.274 494 E C -0.439 176.206 176.600 0.075 0.000 0.977 494 E CA -0.433 55.938 56.400 -0.048 0.000 0.827 494 E CB 1.861 31.541 29.700 -0.033 0.000 1.130 494 E HN 0.650 nan 8.360 nan 0.000 0.394 495 S N 1.432 117.192 115.700 0.101 0.000 2.632 495 S HA 0.320 4.791 4.470 0.001 0.000 0.271 495 S C 0.057 174.658 174.600 0.001 0.000 1.260 495 S CA -0.637 57.615 58.200 0.087 0.000 1.010 495 S CB 0.764 64.001 63.200 0.062 0.000 0.965 495 S HN 0.304 nan 8.310 nan 0.000 0.534 496 R N 1.101 121.566 120.500 -0.059 0.000 2.532 496 R HA 0.478 4.819 4.340 0.001 0.000 0.272 496 R C 1.300 177.574 176.300 -0.044 0.000 1.032 496 R CA 0.653 56.725 56.100 -0.046 0.000 1.089 496 R CB 0.166 30.430 30.300 -0.061 0.000 1.098 496 R HN 0.958 nan 8.270 nan 0.000 0.526 497 D N 0.294 120.678 120.400 -0.027 0.000 4.597 497 D HA -0.247 4.394 4.640 0.001 0.000 0.241 497 D C 0.559 176.846 176.300 -0.020 0.000 0.587 497 D CA 1.801 55.787 54.000 -0.023 0.000 1.574 497 D CB -1.476 39.307 40.800 -0.028 0.000 0.966 497 D HN 0.865 nan 8.370 nan 0.000 0.383 498 G N 0.000 108.785 108.800 -0.026 0.000 5.446 498 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 498 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 498 G CA 0.000 45.088 45.100 -0.020 0.000 0.502 498 G HN 0.000 nan 8.290 nan 0.000 0.925