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 3jqz_1_A DATA FIRST_RESID 1 DATA SEQUENCE DAHKSEVAHR FKDLGEENFK ALVLIAFAQY LQQCPFEDHV KLVNEVTEFA DATA SEQUENCE KTcVADESAE NcDKSLHTLF GDKLcTVATL RETYGEMADC cAKQEPERNE DATA SEQUENCE CFLQHKDDNP NLPRLVRPEV DVMcTAFHDN EETFLKKYLY EIARRHPYFY DATA SEQUENCE APELLFFAKR YKAAFTEccQ AADKAAcLLP KLDELRDEGK ASSAKQRLKc DATA SEQUENCE ASLQKFGERA FKAWAVARLS QRFPKAEFAE VSKLVTDLTK VHTEccHGDL DATA SEQUENCE LEcADDRADL AKYIcENQDS ISSKLKEccE KPLLEKSHcI AEVENDEMPA DATA SEQUENCE DLPSLAADFV ESKDVcKNYA EAKDVFLGMF LYEYARRHPD YSVVLLLRLA DATA SEQUENCE KTYETTLEKc cAAADPHEcY AKVFDEFKPL VEEPQNLIKQ NcELFEQLGE DATA SEQUENCE YKFQNALLVR YTKKVPQVST PTLVEVSRNL GKVGSKccKH PEAKRMPcAE DATA SEQUENCE DYLSVVLNQL cVLHEKTPVS DRVTKccTES LVNRRPcFSA LEVDETYVPK DATA SEQUENCE EFNAETFTFH ADIcTLSEKE RQIKKQTALV ELVKHKPKAT KEQLKAVMDD DATA SEQUENCE FAAFVEKccK ADDKETcFAE EGKKLVAASQ AA 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 1 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.279 176.300 -0.035 0.000 2.045 1 D CA 0.000 53.913 54.000 -0.144 0.000 0.868 1 D CB 0.000 40.547 40.800 -0.421 0.000 0.688 2 A N 0.771 123.626 122.820 0.059 0.000 2.415 2 A HA 0.590 4.913 4.320 0.006 0.000 0.309 2 A C -0.787 176.943 177.584 0.245 0.000 1.356 2 A CA 0.491 52.594 52.037 0.110 0.000 0.998 2 A CB -0.491 18.564 19.000 0.093 0.000 1.145 2 A HN 0.565 nan 8.150 nan 0.000 0.545 3 H N 0.196 119.309 119.070 0.072 0.000 3.081 3 H HA 0.294 4.854 4.556 0.006 0.000 0.322 3 H C 0.408 175.774 175.328 0.063 0.000 1.266 3 H CA -0.466 55.645 56.048 0.105 0.000 1.279 3 H CB 1.303 31.201 29.762 0.227 0.000 1.954 3 H HN 0.459 nan 8.280 nan 0.000 0.530 4 K N 1.203 121.353 120.400 -0.417 0.000 2.029 4 K HA 0.069 4.393 4.320 0.006 0.000 0.205 4 K C 0.422 176.977 176.600 -0.075 0.000 1.042 4 K CA 0.966 57.127 56.287 -0.210 0.000 0.949 4 K CB -0.011 32.353 32.500 -0.227 0.000 0.740 4 K HN 0.262 nan 8.250 nan 0.000 0.442 5 S N 1.661 117.309 115.700 -0.088 0.000 4.087 5 S HA 0.030 4.503 4.470 0.006 0.000 0.213 5 S C 0.633 175.470 174.600 0.395 0.000 1.415 5 S CA -0.271 58.029 58.200 0.166 0.000 0.893 5 S CB 0.250 63.546 63.200 0.160 0.000 1.529 5 S HN 0.299 nan 8.310 nan 0.000 0.457 6 E N 3.046 123.416 120.200 0.283 0.000 2.147 6 E HA -0.156 4.198 4.350 0.006 0.000 0.199 6 E C 1.574 178.310 176.600 0.227 0.000 1.005 6 E CA 1.916 58.461 56.400 0.241 0.000 0.810 6 E CB -0.595 29.163 29.700 0.097 0.000 0.736 6 E HN 0.542 nan 8.360 nan 0.000 0.460 7 V N 0.743 120.795 119.914 0.229 0.000 2.231 7 V HA -0.374 3.750 4.120 0.006 0.000 0.250 7 V C 2.412 178.691 176.094 0.308 0.000 1.058 7 V CA 2.444 64.908 62.300 0.274 0.000 1.022 7 V CB -1.224 30.780 31.823 0.301 0.000 0.640 7 V HN 0.505 nan 8.190 nan 0.000 0.445 8 A N -1.299 121.672 122.820 0.251 0.000 1.969 8 A HA -0.264 4.060 4.320 0.006 0.000 0.218 8 A C 2.190 179.828 177.584 0.090 0.000 1.169 8 A CA 1.728 53.858 52.037 0.155 0.000 0.635 8 A CB -0.852 18.195 19.000 0.079 0.000 0.810 8 A HN 0.737 nan 8.150 nan 0.000 0.445 9 H N 0.666 119.660 119.070 -0.126 0.000 2.289 9 H HA -0.169 4.391 4.556 0.006 0.000 0.294 9 H C 2.101 177.398 175.328 -0.053 0.000 1.095 9 H CA 2.283 58.158 56.048 -0.289 0.000 1.256 9 H CB -0.035 29.562 29.762 -0.274 0.000 1.359 9 H HN 0.342 nan 8.280 nan 0.000 0.487 10 R N -0.296 120.394 120.500 0.316 0.000 2.062 10 R HA -0.115 4.229 4.340 0.006 0.000 0.229 10 R C 2.487 178.941 176.300 0.257 0.000 1.128 10 R CA 0.735 56.997 56.100 0.269 0.000 0.960 10 R CB -1.568 28.855 30.300 0.205 0.000 0.855 10 R HN 0.299 nan 8.270 nan 0.000 0.432 11 F N 2.653 122.686 119.950 0.137 0.000 2.082 11 F HA -0.341 4.189 4.527 0.005 0.000 0.298 11 F C 1.926 177.724 175.800 -0.003 0.000 1.091 11 F CA 1.875 59.901 58.000 0.042 0.000 1.230 11 F CB -0.135 38.787 39.000 -0.131 0.000 0.983 11 F HN -0.097 nan 8.300 nan 0.000 0.485 12 K N 0.657 121.237 120.400 0.300 0.000 1.973 12 K HA -0.146 4.177 4.320 0.006 0.000 0.212 12 K C 1.907 178.563 176.600 0.093 0.000 1.047 12 K CA 1.881 58.259 56.287 0.151 0.000 0.937 12 K CB -0.974 31.524 32.500 -0.004 0.000 0.721 12 K HN 0.237 nan 8.250 nan 0.000 0.440 13 D N 0.370 120.803 120.400 0.055 0.000 2.190 13 D HA -0.164 4.479 4.640 0.006 0.000 0.200 13 D C 1.763 178.100 176.300 0.061 0.000 0.992 13 D CA 1.526 55.555 54.000 0.048 0.000 0.854 13 D CB -0.091 40.746 40.800 0.062 0.000 0.936 13 D HN 0.190 nan 8.370 nan 0.000 0.462 14 L N -1.915 119.355 121.223 0.078 0.000 2.200 14 L HA 0.377 4.720 4.340 0.006 0.000 0.200 14 L C 1.162 178.058 176.870 0.043 0.000 1.072 14 L CA 0.810 55.686 54.840 0.060 0.000 0.787 14 L CB -0.866 41.235 42.059 0.071 0.000 0.957 14 L HN 0.034 nan 8.230 nan 0.000 0.459 15 G N 0.276 109.094 108.800 0.030 0.000 2.911 15 G HA2 -0.170 3.793 3.960 0.006 0.000 0.686 15 G HA3 -0.170 3.793 3.960 0.006 0.000 0.686 15 G C 0.256 175.106 174.900 -0.083 0.000 1.136 15 G CA 0.053 45.165 45.100 0.020 0.000 0.764 15 G HN 0.523 nan 8.290 nan 0.000 0.626 16 E N 0.212 120.362 120.200 -0.083 0.000 2.200 16 E HA -0.300 4.053 4.350 0.006 0.000 0.211 16 E C 1.900 178.481 176.600 -0.031 0.000 1.048 16 E CA 2.133 58.445 56.400 -0.147 0.000 0.851 16 E CB -0.002 29.753 29.700 0.092 0.000 0.747 16 E HN 0.602 nan 8.360 nan 0.000 0.462 17 E N 0.364 120.579 120.200 0.025 0.000 2.015 17 E HA -0.111 4.242 4.350 0.006 0.000 0.191 17 E C 1.402 178.040 176.600 0.063 0.000 0.991 17 E CA 0.756 57.190 56.400 0.056 0.000 0.802 17 E CB -0.299 29.436 29.700 0.059 0.000 0.759 17 E HN 0.323 nan 8.360 nan 0.000 0.447 18 N N 0.098 118.828 118.700 0.051 0.000 2.523 18 N HA -0.056 4.688 4.740 0.006 0.000 0.208 18 N C 0.746 176.286 175.510 0.049 0.000 1.313 18 N CA 0.224 53.301 53.050 0.045 0.000 0.853 18 N CB -0.076 38.433 38.487 0.037 0.000 1.090 18 N HN 0.138 nan 8.380 nan 0.000 0.463 19 F N 0.924 120.795 119.950 -0.131 0.000 2.537 19 F HA 0.201 4.731 4.527 0.005 0.000 0.275 19 F C 1.629 177.380 175.800 -0.081 0.000 0.947 19 F CA 0.211 58.103 58.000 -0.181 0.000 1.238 19 F CB 0.218 38.947 39.000 -0.452 0.000 1.071 19 F HN -0.218 nan 8.300 nan 0.000 0.749 20 K N 0.634 121.152 120.400 0.197 0.000 2.362 20 K HA -0.102 4.222 4.320 0.006 0.000 0.202 20 K C 1.687 178.313 176.600 0.042 0.000 1.045 20 K CA 1.214 57.579 56.287 0.130 0.000 0.936 20 K CB -0.268 32.309 32.500 0.129 0.000 0.747 20 K HN 0.375 nan 8.250 nan 0.000 0.467 21 A N 0.719 123.554 122.820 0.024 0.000 1.970 21 A HA 0.138 4.462 4.320 0.006 0.000 0.204 21 A C 1.864 179.442 177.584 -0.010 0.000 1.325 21 A CA -0.086 51.971 52.037 0.032 0.000 0.767 21 A CB -0.262 18.774 19.000 0.060 0.000 0.949 21 A HN 0.106 nan 8.150 nan 0.000 0.481 22 L N 0.324 121.509 121.223 -0.062 0.000 2.447 22 L HA -0.137 4.207 4.340 0.006 0.000 0.225 22 L C 1.884 178.661 176.870 -0.155 0.000 1.148 22 L CA 0.663 55.441 54.840 -0.103 0.000 0.808 22 L CB -0.013 41.970 42.059 -0.127 0.000 0.928 22 L HN 0.288 nan 8.230 nan 0.000 0.448 23 V N -1.500 118.309 119.914 -0.176 0.000 2.922 23 V HA -0.112 4.012 4.120 0.006 0.000 0.242 23 V C 1.913 178.134 176.094 0.213 0.000 1.094 23 V CA 0.455 62.711 62.300 -0.074 0.000 1.106 23 V CB 0.373 32.045 31.823 -0.251 0.000 0.799 23 V HN 0.253 nan 8.190 nan 0.000 0.474 24 L N 0.578 121.869 121.223 0.113 0.000 2.042 24 L HA -0.136 4.208 4.340 0.006 0.000 0.210 24 L C 2.116 179.086 176.870 0.167 0.000 1.076 24 L CA 1.980 56.901 54.840 0.135 0.000 0.749 24 L CB -0.549 41.552 42.059 0.070 0.000 0.893 24 L HN 0.225 nan 8.230 nan 0.000 0.432 25 I N -0.355 120.281 120.570 0.110 0.000 2.076 25 I HA -0.372 3.801 4.170 0.006 0.000 0.237 25 I C 2.673 178.864 176.117 0.125 0.000 1.059 25 I CA 1.440 62.793 61.300 0.088 0.000 1.317 25 I CB -0.887 37.135 38.000 0.036 0.000 1.037 25 I HN 0.395 nan 8.210 nan 0.000 0.398 26 A N 1.097 123.977 122.820 0.101 0.000 1.894 26 A HA -0.298 4.026 4.320 0.006 0.000 0.220 26 A C 2.126 179.847 177.584 0.228 0.000 1.237 26 A CA 2.287 54.374 52.037 0.082 0.000 0.660 26 A CB -1.413 17.508 19.000 -0.131 0.000 0.835 26 A HN 0.391 nan 8.150 nan 0.000 0.461 27 F N -0.186 119.895 119.950 0.218 0.000 2.134 27 F HA -0.055 4.476 4.527 0.007 0.000 0.299 27 F C 2.830 178.706 175.800 0.126 0.000 1.097 27 F CA 1.098 59.228 58.000 0.217 0.000 1.264 27 F CB -0.548 38.626 39.000 0.290 0.000 1.001 27 F HN 0.277 nan 8.300 nan 0.000 0.479 28 A N -0.377 122.485 122.820 0.069 0.000 1.902 28 A HA -0.229 4.095 4.320 0.006 0.000 0.217 28 A C 2.101 179.720 177.584 0.059 0.000 1.181 28 A CA 1.585 53.569 52.037 -0.088 0.000 0.623 28 A CB -0.790 18.223 19.000 0.023 0.000 0.818 28 A HN 0.450 nan 8.150 nan 0.000 0.443 29 Q N -2.355 117.509 119.800 0.107 0.000 2.364 29 Q HA -0.115 4.229 4.340 0.006 0.000 0.207 29 Q C 1.517 177.532 176.000 0.025 0.000 0.970 29 Q CA 1.233 57.057 55.803 0.034 0.000 0.888 29 Q CB -0.111 28.625 28.738 -0.004 0.000 0.951 29 Q HN 0.879 nan 8.270 nan 0.000 0.469 30 Y N -1.002 119.329 120.300 0.052 0.000 2.314 30 Y HA 0.001 4.554 4.550 0.005 0.000 0.294 30 Y C 1.804 177.810 175.900 0.177 0.000 1.139 30 Y CA 0.460 58.615 58.100 0.091 0.000 1.162 30 Y CB 0.540 39.032 38.460 0.054 0.000 1.121 30 Y HN 0.008 nan 8.280 nan 0.000 0.529 31 L N 0.092 121.582 121.223 0.445 0.000 2.554 31 L HA -0.005 4.339 4.340 0.006 0.000 0.225 31 L C 1.130 178.245 176.870 0.407 0.000 1.104 31 L CA 0.730 55.843 54.840 0.454 0.000 0.866 31 L CB -0.586 41.795 42.059 0.537 0.000 1.047 31 L HN 0.432 nan 8.230 nan 0.000 0.468 32 Q N -0.454 119.534 119.800 0.312 0.000 2.087 32 Q HA -0.429 3.914 4.340 0.006 0.000 0.199 32 Q C 1.739 177.879 176.000 0.232 0.000 2.850 32 Q CA 2.610 58.528 55.803 0.193 0.000 0.564 32 Q CB -0.927 27.870 28.738 0.099 0.000 0.475 32 Q HN 0.458 nan 8.270 nan 0.000 0.448 33 Q N -0.227 119.721 119.800 0.247 0.000 2.234 33 Q HA -0.068 4.275 4.340 0.006 0.000 0.206 33 Q C 0.766 176.905 176.000 0.232 0.000 0.980 33 Q CA 0.881 56.810 55.803 0.210 0.000 0.869 33 Q CB -0.261 28.602 28.738 0.208 0.000 0.912 33 Q HN 0.450 nan 8.270 nan 0.000 0.436 34 C N 2.448 121.940 119.300 0.320 0.000 2.637 34 C HA 0.195 4.659 4.460 0.006 0.000 0.418 34 C C -1.601 173.602 174.990 0.356 0.000 1.319 34 C CA -1.322 57.846 59.018 0.251 0.000 1.949 34 C CB 0.144 27.945 27.740 0.103 0.000 2.639 34 C HN 0.278 nan 8.230 nan 0.000 0.594 35 P HA 0.010 nan 4.420 nan 0.000 0.273 35 P C 0.682 178.128 177.300 0.243 0.000 1.258 35 P CA -0.149 63.100 63.100 0.248 0.000 0.802 35 P CB 0.286 32.058 31.700 0.120 0.000 1.040 36 F N 0.725 120.649 119.950 -0.043 0.000 2.039 36 F HA -0.146 4.385 4.527 0.006 0.000 0.294 36 F C 2.108 177.793 175.800 -0.191 0.000 1.130 36 F CA 1.791 59.593 58.000 -0.331 0.000 1.189 36 F CB -0.933 37.901 39.000 -0.277 0.000 0.983 36 F HN 0.254 nan 8.300 nan 0.000 0.471 37 E N 0.621 120.767 120.200 -0.091 0.000 2.136 37 E HA -0.274 4.079 4.350 0.006 0.000 0.202 37 E C 1.738 178.181 176.600 -0.261 0.000 1.019 37 E CA 2.061 58.352 56.400 -0.182 0.000 0.819 37 E CB -0.592 29.080 29.700 -0.047 0.000 0.739 37 E HN 0.473 nan 8.360 nan 0.000 0.458 38 D N -0.869 119.389 120.400 -0.236 0.000 2.149 38 D HA -0.159 4.485 4.640 0.006 0.000 0.198 38 D C 1.751 177.789 176.300 -0.437 0.000 0.990 38 D CA 1.224 55.038 54.000 -0.310 0.000 0.839 38 D CB -0.115 40.490 40.800 -0.325 0.000 0.948 38 D HN 0.358 nan 8.370 nan 0.000 0.460 39 H N -0.433 118.431 119.070 -0.345 0.000 2.372 39 H HA 0.002 4.562 4.556 0.006 0.000 0.301 39 H C 2.404 177.403 175.328 -0.549 0.000 1.065 39 H CA 1.343 57.133 56.048 -0.430 0.000 1.364 39 H CB -0.341 29.231 29.762 -0.316 0.000 1.406 39 H HN 0.159 nan 8.280 nan 0.000 0.521 40 V N 0.290 119.900 119.914 -0.506 0.000 2.427 40 V HA -0.180 3.944 4.120 0.006 0.000 0.248 40 V C 2.425 178.333 176.094 -0.309 0.000 1.051 40 V CA 1.967 63.998 62.300 -0.448 0.000 1.048 40 V CB -0.524 30.970 31.823 -0.548 0.000 0.666 40 V HN 0.190 nan 8.190 nan 0.000 0.456 41 K N 0.677 120.899 120.400 -0.296 0.000 1.991 41 K HA -0.152 4.171 4.320 0.006 0.000 0.212 41 K C 2.201 178.650 176.600 -0.252 0.000 1.049 41 K CA 2.392 58.547 56.287 -0.221 0.000 0.932 41 K CB -0.427 31.955 32.500 -0.195 0.000 0.717 41 K HN 0.547 nan 8.250 nan 0.000 0.441 42 L N 1.010 122.000 121.223 -0.388 0.000 2.131 42 L HA -0.158 4.186 4.340 0.006 0.000 0.210 42 L C 2.420 178.973 176.870 -0.529 0.000 1.092 42 L CA 0.657 55.194 54.840 -0.506 0.000 0.759 42 L CB -0.222 41.349 42.059 -0.814 0.000 0.903 42 L HN 0.072 nan 8.230 nan 0.000 0.435 43 V N -0.895 118.703 119.914 -0.526 0.000 2.407 43 V HA -0.141 3.982 4.120 0.006 0.000 0.245 43 V C 1.247 177.313 176.094 -0.046 0.000 1.041 43 V CA 1.234 63.383 62.300 -0.251 0.000 1.040 43 V CB -0.518 31.190 31.823 -0.192 0.000 0.671 43 V HN 0.450 nan 8.190 nan 0.000 0.455 44 N N 0.411 119.062 118.700 -0.081 0.000 2.542 44 N HA 0.023 4.766 4.740 0.006 0.000 0.234 44 N C 1.014 176.526 175.510 0.003 0.000 1.257 44 N CA 0.400 53.444 53.050 -0.011 0.000 0.883 44 N CB 0.240 38.706 38.487 -0.035 0.000 1.197 44 N HN 0.663 nan 8.380 nan 0.000 0.488 45 E N -1.320 118.891 120.200 0.018 0.000 2.641 45 E HA 0.101 4.454 4.350 0.006 0.000 0.201 45 E C 0.488 177.164 176.600 0.126 0.000 0.921 45 E CA 0.142 56.569 56.400 0.045 0.000 1.551 45 E CB 0.551 30.237 29.700 -0.025 0.000 1.640 45 E HN -0.011 nan 8.360 nan 0.000 0.906 46 V N 0.901 120.901 119.914 0.143 0.000 3.650 46 V HA 0.016 4.139 4.120 0.006 0.000 0.271 46 V C 1.735 178.060 176.094 0.385 0.000 1.281 46 V CA 1.405 63.856 62.300 0.252 0.000 1.120 46 V CB 0.656 32.644 31.823 0.276 0.000 0.856 46 V HN 0.200 nan 8.190 nan 0.000 0.443 47 T N -0.105 114.635 114.554 0.311 0.000 2.814 47 T HA -0.094 4.260 4.350 0.006 0.000 0.254 47 T C 1.829 176.659 174.700 0.217 0.000 1.037 47 T CA 1.240 63.519 62.100 0.298 0.000 1.143 47 T CB 0.066 69.070 68.868 0.227 0.000 0.866 47 T HN 0.379 nan 8.240 nan 0.000 0.431 48 E N 0.782 121.083 120.200 0.168 0.000 2.038 48 E HA -0.078 4.276 4.350 0.006 0.000 0.195 48 E C 1.688 178.365 176.600 0.129 0.000 1.000 48 E CA 0.961 57.428 56.400 0.112 0.000 0.803 48 E CB -0.385 29.366 29.700 0.085 0.000 0.750 48 E HN 0.372 nan 8.360 nan 0.000 0.448 49 F N 0.521 120.509 119.950 0.062 0.000 2.161 49 F HA -0.195 4.335 4.527 0.005 0.000 0.300 49 F C 1.938 177.774 175.800 0.060 0.000 1.089 49 F CA 1.464 59.501 58.000 0.062 0.000 1.282 49 F CB -0.222 38.831 39.000 0.088 0.000 1.010 49 F HN 0.031 nan 8.300 nan 0.000 0.485 50 A N -0.861 122.182 122.820 0.371 0.000 2.208 50 A HA -0.004 4.319 4.320 0.006 0.000 0.209 50 A C 2.075 179.608 177.584 -0.086 0.000 1.161 50 A CA 0.633 52.815 52.037 0.242 0.000 0.782 50 A CB -0.453 18.761 19.000 0.358 0.000 0.816 50 A HN 0.416 nan 8.150 nan 0.000 0.477 51 K N -0.540 119.815 120.400 -0.075 0.000 2.137 51 K HA -0.060 4.263 4.320 0.006 0.000 0.202 51 K C 2.171 178.661 176.600 -0.183 0.000 1.052 51 K CA 1.484 57.654 56.287 -0.195 0.000 0.961 51 K CB -0.193 32.254 32.500 -0.089 0.000 0.741 51 K HN 0.583 nan 8.250 nan 0.000 0.452 52 T N -1.207 113.258 114.554 -0.149 0.000 2.995 52 T HA -0.103 4.251 4.350 0.006 0.000 0.269 52 T C 2.018 176.625 174.700 -0.155 0.000 1.091 52 T CA 0.894 62.893 62.100 -0.167 0.000 1.128 52 T CB -0.574 68.155 68.868 -0.232 0.000 0.891 52 T HN 0.173 nan 8.240 nan 0.000 0.492 53 c N 1.084 119.604 118.600 -0.133 0.000 2.481 53 c HA 0.247 4.820 4.570 0.006 0.000 0.275 53 c C 2.644 176.671 174.090 -0.105 0.000 1.419 53 c CA -0.172 56.114 56.329 -0.071 0.000 1.773 53 c CB -1.018 41.513 42.510 0.035 0.000 1.862 53 c HN 0.500 nan 8.230 nan 0.000 0.530 54 V N 0.838 120.628 119.914 -0.205 0.000 3.129 54 V HA 0.002 4.125 4.120 0.006 0.000 0.259 54 V C 2.232 178.242 176.094 -0.140 0.000 1.116 54 V CA 1.570 63.733 62.300 -0.229 0.000 1.127 54 V CB -1.080 30.519 31.823 -0.373 0.000 0.742 54 V HN 0.570 nan 8.190 nan 0.000 0.474 55 A N 1.553 124.300 122.820 -0.122 0.000 2.172 55 A HA 0.079 4.402 4.320 0.006 0.000 0.215 55 A C 0.842 178.386 177.584 -0.068 0.000 1.610 55 A CA 0.967 52.950 52.037 -0.090 0.000 0.606 55 A CB -0.372 18.573 19.000 -0.091 0.000 1.182 55 A HN 0.578 nan 8.150 nan 0.000 0.499 56 D N -0.966 119.393 120.400 -0.068 0.000 2.344 56 D HA 0.398 5.042 4.640 0.006 0.000 0.239 56 D C -0.195 176.075 176.300 -0.049 0.000 1.064 56 D CA -0.471 53.497 54.000 -0.053 0.000 0.829 56 D CB 1.477 42.246 40.800 -0.051 0.000 1.129 56 D HN 0.204 nan 8.370 nan 0.000 0.506 57 E N 0.830 121.007 120.200 -0.039 0.000 2.209 57 E HA -0.133 4.221 4.350 0.006 0.000 0.196 57 E C 0.730 177.311 176.600 -0.032 0.000 0.993 57 E CA 0.934 57.313 56.400 -0.035 0.000 0.819 57 E CB 0.031 29.683 29.700 -0.080 0.000 0.745 57 E HN 0.405 nan 8.360 nan 0.000 0.477 58 S N -0.257 115.421 115.700 -0.037 0.000 2.738 58 S HA 0.560 5.034 4.470 0.006 0.000 0.227 58 S C -0.336 174.244 174.600 -0.034 0.000 1.311 58 S CA -0.238 57.945 58.200 -0.028 0.000 1.249 58 S CB -0.464 62.720 63.200 -0.027 0.000 1.030 58 S HN 0.259 nan 8.310 nan 0.000 0.512 59 A N 0.947 123.739 122.820 -0.047 0.000 2.269 59 A HA 0.720 5.044 4.320 0.006 0.000 0.327 59 A C 1.023 178.567 177.584 -0.067 0.000 1.112 59 A CA -0.235 51.756 52.037 -0.078 0.000 0.865 59 A CB 0.285 19.205 19.000 -0.133 0.000 1.227 59 A HN 0.530 nan 8.150 nan 0.000 0.498 60 E N 0.615 120.765 120.200 -0.084 0.000 2.940 60 E HA -0.337 4.017 4.350 0.006 0.000 0.213 60 E C 0.615 177.258 176.600 0.071 0.000 0.874 60 E CA 3.128 59.510 56.400 -0.029 0.000 1.423 60 E CB -0.782 28.854 29.700 -0.106 0.000 1.452 60 E HN 0.812 nan 8.360 nan 0.000 0.461 61 N N -2.191 116.619 118.700 0.183 0.000 2.160 61 N HA 0.172 4.916 4.740 0.006 0.000 0.226 61 N C 0.756 176.437 175.510 0.284 0.000 1.256 61 N CA 0.221 53.438 53.050 0.278 0.000 0.890 61 N CB 0.302 39.027 38.487 0.396 0.000 1.116 61 N HN 0.223 nan 8.380 nan 0.000 0.517 62 c N 1.994 120.725 118.600 0.218 0.000 2.398 62 c HA -0.161 4.413 4.570 0.006 0.000 0.282 62 c C 2.424 176.607 174.090 0.154 0.000 1.275 62 c CA 1.253 57.708 56.329 0.210 0.000 1.797 62 c CB -0.865 41.691 42.510 0.077 0.000 1.991 62 c HN 0.628 nan 8.230 nan 0.000 0.505 63 D N 0.828 121.290 120.400 0.103 0.000 2.264 63 D HA -0.096 4.548 4.640 0.006 0.000 0.208 63 D C 0.859 177.206 176.300 0.079 0.000 0.966 63 D CA 0.691 54.731 54.000 0.066 0.000 0.864 63 D CB -0.341 40.482 40.800 0.038 0.000 0.933 63 D HN 0.488 nan 8.370 nan 0.000 0.499 64 K N 0.683 121.145 120.400 0.102 0.000 2.274 64 K HA 0.084 4.407 4.320 0.006 0.000 0.255 64 K C 0.415 177.057 176.600 0.071 0.000 1.005 64 K CA 0.316 56.653 56.287 0.084 0.000 0.864 64 K CB 0.292 32.845 32.500 0.089 0.000 1.013 64 K HN 0.125 nan 8.250 nan 0.000 0.519 65 S N 1.061 116.791 115.700 0.050 0.000 2.448 65 S HA 0.181 4.654 4.470 0.006 0.000 0.320 65 S C 1.059 175.666 174.600 0.012 0.000 1.071 65 S CA -0.785 57.426 58.200 0.018 0.000 1.113 65 S CB 0.536 63.735 63.200 -0.002 0.000 0.972 65 S HN 0.539 nan 8.310 nan 0.000 0.465 66 L N 2.009 123.228 121.223 -0.007 0.000 2.239 66 L HA -0.383 3.961 4.340 0.006 0.000 0.242 66 L C 2.411 179.314 176.870 0.055 0.000 1.130 66 L CA 2.734 57.570 54.840 -0.006 0.000 0.852 66 L CB -2.036 39.966 42.059 -0.094 0.000 0.959 66 L HN 0.846 nan 8.230 nan 0.000 0.447 67 H N -1.184 117.860 119.070 -0.043 0.000 2.337 67 H HA -0.264 4.295 4.556 0.005 0.000 0.288 67 H C 2.132 177.485 175.328 0.042 0.000 1.117 67 H CA 1.566 57.602 56.048 -0.019 0.000 1.205 67 H CB -0.293 29.461 29.762 -0.013 0.000 1.353 67 H HN 0.567 nan 8.280 nan 0.000 0.480 68 T N 1.107 115.760 114.554 0.164 0.000 2.545 68 T HA -0.190 4.164 4.350 0.006 0.000 0.261 68 T C 2.181 176.910 174.700 0.049 0.000 1.097 68 T CA 1.395 63.551 62.100 0.094 0.000 1.189 68 T CB -0.642 68.269 68.868 0.071 0.000 0.863 68 T HN 0.210 nan 8.240 nan 0.000 0.405 69 L N -0.260 120.974 121.223 0.019 0.000 2.197 69 L HA -0.131 4.213 4.340 0.006 0.000 0.215 69 L C 2.252 179.091 176.870 -0.051 0.000 1.095 69 L CA 1.193 55.990 54.840 -0.071 0.000 0.764 69 L CB -0.603 41.385 42.059 -0.118 0.000 0.897 69 L HN 0.164 nan 8.230 nan 0.000 0.436 70 F N 0.637 120.489 119.950 -0.163 0.000 2.016 70 F HA -0.042 4.488 4.527 0.005 0.000 0.290 70 F C 2.404 178.011 175.800 -0.321 0.000 1.166 70 F CA 1.632 59.459 58.000 -0.289 0.000 1.156 70 F CB -0.986 37.797 39.000 -0.362 0.000 0.995 70 F HN -0.046 nan 8.300 nan 0.000 0.477 71 G N 0.096 108.774 108.800 -0.203 0.000 2.503 71 G HA2 -0.327 3.637 3.960 0.006 0.000 0.221 71 G HA3 -0.327 3.637 3.960 0.006 0.000 0.221 71 G C 1.374 176.190 174.900 -0.140 0.000 1.131 71 G CA 1.339 46.279 45.100 -0.267 0.000 0.756 71 G HN 0.416 nan 8.290 nan 0.000 0.572 72 D N 0.642 120.994 120.400 -0.081 0.000 2.087 72 D HA -0.114 4.529 4.640 0.006 0.000 0.192 72 D C 2.317 178.567 176.300 -0.083 0.000 0.993 72 D CA 1.440 55.412 54.000 -0.047 0.000 0.828 72 D CB -0.287 40.489 40.800 -0.040 0.000 0.968 72 D HN 0.231 nan 8.370 nan 0.000 0.448 73 K N 0.875 121.191 120.400 -0.140 0.000 2.360 73 K HA -0.048 4.275 4.320 0.006 0.000 0.201 73 K C 2.071 178.612 176.600 -0.099 0.000 1.046 73 K CA 0.513 56.736 56.287 -0.106 0.000 0.940 73 K CB -0.471 31.982 32.500 -0.077 0.000 0.748 73 K HN 0.166 nan 8.250 nan 0.000 0.465 74 L N -0.929 120.160 121.223 -0.223 0.000 2.131 74 L HA -0.130 4.214 4.340 0.006 0.000 0.206 74 L C 1.741 178.618 176.870 0.011 0.000 1.087 74 L CA 0.704 55.438 54.840 -0.176 0.000 0.767 74 L CB -0.190 41.608 42.059 -0.436 0.000 0.917 74 L HN 0.164 nan 8.230 nan 0.000 0.441 75 c N -0.225 118.396 118.600 0.035 0.000 2.551 75 c HA -0.017 4.556 4.570 0.006 0.000 0.284 75 c C 2.445 176.556 174.090 0.035 0.000 1.329 75 c CA 0.437 56.809 56.329 0.071 0.000 1.683 75 c CB -1.273 41.286 42.510 0.082 0.000 1.730 75 c HN 0.461 nan 8.230 nan 0.000 0.591 76 T N 0.809 115.369 114.554 0.010 0.000 3.007 76 T HA -0.112 4.242 4.350 0.006 0.000 0.270 76 T C 1.782 176.484 174.700 0.003 0.000 1.107 76 T CA 1.635 63.734 62.100 -0.000 0.000 1.118 76 T CB -0.108 68.748 68.868 -0.020 0.000 0.889 76 T HN 0.602 nan 8.240 nan 0.000 0.506 77 V N 0.271 120.196 119.914 0.018 0.000 2.278 77 V HA 0.351 4.475 4.120 0.006 0.000 0.231 77 V C 2.093 178.208 176.094 0.034 0.000 1.048 77 V CA 0.765 63.079 62.300 0.023 0.000 1.015 77 V CB -1.634 30.217 31.823 0.047 0.000 0.652 77 V HN 0.408 nan 8.190 nan 0.000 0.466 78 A N 0.271 123.128 122.820 0.062 0.000 2.869 78 A HA -0.304 4.020 4.320 0.006 0.000 0.272 78 A C 1.710 179.315 177.584 0.035 0.000 1.332 78 A CA 2.757 54.827 52.037 0.056 0.000 0.939 78 A CB -2.642 16.383 19.000 0.041 0.000 1.018 78 A HN 1.373 nan 8.150 nan 0.000 0.696 79 T N -2.902 111.668 114.554 0.026 0.000 3.031 79 T HA 0.270 4.623 4.350 0.006 0.000 0.236 79 T C 1.596 176.290 174.700 -0.011 0.000 1.005 79 T CA 0.814 62.916 62.100 0.004 0.000 1.230 79 T CB -0.474 68.391 68.868 -0.004 0.000 0.913 79 T HN 0.425 nan 8.240 nan 0.000 0.419 80 L N 1.241 122.456 121.223 -0.014 0.000 2.642 80 L HA 0.145 4.488 4.340 0.006 0.000 0.236 80 L C 2.880 179.684 176.870 -0.108 0.000 1.169 80 L CA 0.371 55.170 54.840 -0.069 0.000 0.851 80 L CB -0.572 41.454 42.059 -0.056 0.000 0.968 80 L HN 0.274 nan 8.230 nan 0.000 0.453 81 R N 1.148 121.655 120.500 0.011 0.000 2.249 81 R HA -0.216 4.128 4.340 0.006 0.000 0.230 81 R C 2.052 178.343 176.300 -0.015 0.000 1.121 81 R CA 1.557 57.704 56.100 0.078 0.000 0.997 81 R CB -0.027 30.326 30.300 0.089 0.000 0.867 81 R HN 0.654 nan 8.270 nan 0.000 0.465 82 E N -0.594 119.564 120.200 -0.070 0.000 2.204 82 E HA -0.145 4.209 4.350 0.006 0.000 0.194 82 E C 1.299 177.817 176.600 -0.136 0.000 0.989 82 E CA 1.600 57.953 56.400 -0.077 0.000 0.824 82 E CB -0.282 29.378 29.700 -0.066 0.000 0.756 82 E HN 0.314 nan 8.360 nan 0.000 0.477 83 T N -2.098 112.288 114.554 -0.280 0.000 3.160 83 T HA -0.049 4.304 4.350 0.006 0.000 0.257 83 T C -0.239 174.166 174.700 -0.492 0.000 1.147 83 T CA 0.012 61.866 62.100 -0.410 0.000 1.064 83 T CB -0.255 68.282 68.868 -0.552 0.000 0.949 83 T HN 0.210 nan 8.240 nan 0.000 0.526 84 Y N 0.713 120.992 120.300 -0.036 0.000 2.584 84 Y HA 0.644 5.198 4.550 0.007 0.000 0.358 84 Y C 1.506 177.364 175.900 -0.071 0.000 1.028 84 Y CA -2.020 56.039 58.100 -0.067 0.000 1.148 84 Y CB 0.424 38.832 38.460 -0.087 0.000 1.126 84 Y HN 0.066 nan 8.280 nan 0.000 0.658 85 G N 0.886 109.713 108.800 0.046 0.000 2.469 85 G HA2 -0.144 3.820 3.960 0.006 0.000 0.219 85 G HA3 -0.144 3.820 3.960 0.006 0.000 0.219 85 G C 0.401 175.301 174.900 0.000 0.000 1.150 85 G CA 0.782 45.889 45.100 0.011 0.000 0.763 85 G HN 0.481 nan 8.290 nan 0.000 0.561 86 E N -1.408 118.785 120.200 -0.013 0.000 2.339 86 E HA 0.570 4.924 4.350 0.006 0.000 0.262 86 E C 0.079 176.607 176.600 -0.120 0.000 0.934 86 E CA -1.060 55.306 56.400 -0.056 0.000 0.802 86 E CB 1.785 31.452 29.700 -0.055 0.000 1.275 86 E HN 0.052 nan 8.360 nan 0.000 0.427 87 M N 0.865 120.339 119.600 -0.211 0.000 7.306 87 M HA -0.277 4.206 4.480 0.006 0.000 0.157 87 M C -0.967 175.026 176.300 -0.511 0.000 0.491 87 M CA 0.985 56.005 55.300 -0.466 0.000 1.310 87 M CB -0.990 31.263 32.600 -0.577 0.000 0.430 87 M HN 1.219 nan 8.290 nan 0.000 0.190 88 A N 3.513 125.854 122.820 -0.799 0.000 2.046 88 A HA -0.043 4.281 4.320 0.006 0.000 0.265 88 A C 0.482 177.918 177.584 -0.246 0.000 1.343 88 A CA 2.272 53.946 52.037 -0.606 0.000 0.749 88 A CB -1.813 16.721 19.000 -0.777 0.000 1.171 88 A HN 1.929 nan 8.150 nan 0.000 0.316 89 D N -2.573 117.708 120.400 -0.199 0.000 2.821 89 D HA -0.102 4.542 4.640 0.006 0.000 0.582 89 D C 0.568 176.827 176.300 -0.068 0.000 0.803 89 D CA 0.632 54.592 54.000 -0.067 0.000 1.108 89 D CB -1.889 38.889 40.800 -0.038 0.000 1.591 89 D HN 1.052 nan 8.370 nan 0.000 0.316 90 C N 0.870 120.094 119.300 -0.126 0.000 2.399 90 C HA 0.461 4.924 4.460 0.006 0.000 0.348 90 C C 2.074 177.048 174.990 -0.027 0.000 1.318 90 C CA -0.639 58.331 59.018 -0.080 0.000 1.621 90 C CB -2.268 25.411 27.740 -0.102 0.000 1.683 90 C HN 0.436 nan 8.230 nan 0.000 0.595 91 c N 0.628 119.234 118.600 0.010 0.000 2.449 91 c HA 0.060 4.634 4.570 0.006 0.000 0.283 91 c C 3.010 177.129 174.090 0.049 0.000 1.453 91 c CA 1.189 57.562 56.329 0.073 0.000 1.779 91 c CB -1.612 40.956 42.510 0.097 0.000 1.779 91 c HN 0.854 nan 8.230 nan 0.000 0.546 92 A N 0.655 123.490 122.820 0.025 0.000 1.972 92 A HA -0.107 4.216 4.320 0.006 0.000 0.219 92 A C 1.175 178.773 177.584 0.024 0.000 1.169 92 A CA 1.052 53.101 52.037 0.020 0.000 0.635 92 A CB -0.231 18.774 19.000 0.009 0.000 0.810 92 A HN 0.710 nan 8.150 nan 0.000 0.446 93 K N 0.211 120.626 120.400 0.024 0.000 2.276 93 K HA 0.282 4.605 4.320 0.006 0.000 0.259 93 K C 0.271 176.899 176.600 0.046 0.000 1.001 93 K CA 0.089 56.393 56.287 0.030 0.000 0.927 93 K CB 0.424 32.939 32.500 0.025 0.000 0.969 93 K HN 0.510 nan 8.250 nan 0.000 0.490 94 Q N 0.578 120.404 119.800 0.043 0.000 3.036 94 Q HA 0.212 4.556 4.340 0.006 0.000 0.195 94 Q C -0.521 175.513 176.000 0.057 0.000 1.139 94 Q CA -0.821 55.013 55.803 0.051 0.000 0.544 94 Q CB 0.659 29.422 28.738 0.043 0.000 4.824 94 Q HN 0.392 nan 8.270 nan 0.000 0.325 95 E N 1.256 121.490 120.200 0.056 0.000 2.175 95 E HA 0.199 4.553 4.350 0.006 0.000 0.278 95 E C -1.744 174.888 176.600 0.053 0.000 0.969 95 E CA -1.496 54.941 56.400 0.063 0.000 0.796 95 E CB 1.218 30.965 29.700 0.079 0.000 1.104 95 E HN 0.392 nan 8.360 nan 0.000 0.395 96 P HA -0.043 nan 4.420 nan 0.000 0.214 96 P C 0.637 177.961 177.300 0.041 0.000 1.162 96 P CA 0.246 63.379 63.100 0.055 0.000 0.871 96 P CB 0.551 32.289 31.700 0.063 0.000 0.783 97 E N -0.787 119.434 120.200 0.033 0.000 3.824 97 E HA -0.349 4.005 4.350 0.006 0.000 0.348 97 E C 1.887 178.506 176.600 0.032 0.000 1.411 97 E CA 2.411 58.827 56.400 0.027 0.000 1.798 97 E CB -1.323 28.395 29.700 0.030 0.000 1.612 97 E HN 0.314 nan 8.360 nan 0.000 0.300 98 R N 1.916 122.452 120.500 0.061 0.000 2.115 98 R HA -0.034 4.310 4.340 0.006 0.000 0.226 98 R C 1.734 178.157 176.300 0.204 0.000 1.100 98 R CA 1.886 58.047 56.100 0.102 0.000 0.980 98 R CB -0.934 29.449 30.300 0.139 0.000 0.875 98 R HN 0.363 nan 8.270 nan 0.000 0.445 99 N N 0.890 119.677 118.700 0.145 0.000 2.166 99 N HA -0.161 4.583 4.740 0.006 0.000 0.186 99 N C 1.193 176.731 175.510 0.046 0.000 1.019 99 N CA 1.238 54.345 53.050 0.095 0.000 0.856 99 N CB 0.122 38.468 38.487 -0.235 0.000 0.993 99 N HN 0.270 nan 8.380 nan 0.000 0.426 100 E N 0.506 120.698 120.200 -0.013 0.000 2.051 100 E HA -0.107 4.247 4.350 0.006 0.000 0.192 100 E C 0.831 177.361 176.600 -0.116 0.000 0.991 100 E CA 0.374 56.729 56.400 -0.076 0.000 0.799 100 E CB -0.805 28.860 29.700 -0.057 0.000 0.748 100 E HN 0.252 nan 8.360 nan 0.000 0.449 101 C N 1.101 120.357 119.300 -0.074 0.000 3.684 101 C HA 0.072 4.536 4.460 0.006 0.000 0.584 101 C C 0.563 175.301 174.990 -0.419 0.000 1.130 101 C CA 0.019 58.958 59.018 -0.132 0.000 1.194 101 C CB -2.392 25.340 27.740 -0.013 0.000 1.457 101 C HN 0.233 nan 8.230 nan 0.000 0.647 102 F N -0.897 118.625 119.950 -0.713 0.000 2.065 102 F HA 0.180 4.710 4.527 0.005 0.000 0.343 102 F C 1.433 176.790 175.800 -0.738 0.000 0.923 102 F CA -0.034 57.542 58.000 -0.707 0.000 1.107 102 F CB -0.424 38.596 39.000 0.032 0.000 1.331 102 F HN 0.058 nan 8.300 nan 0.000 0.578 103 L N 0.659 121.696 121.223 -0.310 0.000 2.456 103 L HA -0.138 4.206 4.340 0.006 0.000 0.224 103 L C 1.667 178.363 176.870 -0.289 0.000 1.148 103 L CA 1.225 55.848 54.840 -0.362 0.000 0.825 103 L CB -0.468 41.435 42.059 -0.261 0.000 0.937 103 L HN 0.337 nan 8.230 nan 0.000 0.450 104 Q N -1.208 118.379 119.800 -0.356 0.000 2.250 104 Q HA -0.075 4.269 4.340 0.006 0.000 0.200 104 Q C 1.966 177.927 176.000 -0.065 0.000 0.941 104 Q CA 0.628 56.323 55.803 -0.180 0.000 0.872 104 Q CB 0.093 28.757 28.738 -0.123 0.000 0.965 104 Q HN 0.583 nan 8.270 nan 0.000 0.480 105 H N 1.268 120.274 119.070 -0.108 0.000 2.495 105 H HA 0.085 4.645 4.556 0.006 0.000 0.287 105 H C 0.186 175.457 175.328 -0.095 0.000 1.033 105 H CA 0.431 56.408 56.048 -0.118 0.000 1.307 105 H CB -0.295 29.359 29.762 -0.180 0.000 1.401 105 H HN 0.061 nan 8.280 nan 0.000 0.555 106 K N 2.529 122.892 120.400 -0.062 0.000 2.404 106 K HA -0.088 4.236 4.320 0.006 0.000 0.271 106 K C 0.031 176.629 176.600 -0.003 0.000 1.130 106 K CA 0.208 56.431 56.287 -0.108 0.000 1.181 106 K CB 0.247 32.567 32.500 -0.301 0.000 0.840 106 K HN 0.159 nan 8.250 nan 0.000 0.483 107 D N 3.234 123.637 120.400 0.004 0.000 2.325 107 D HA -0.000 4.643 4.640 0.006 0.000 0.251 107 D C 0.454 176.763 176.300 0.015 0.000 1.196 107 D CA -0.093 53.919 54.000 0.020 0.000 0.866 107 D CB 0.823 41.635 40.800 0.020 0.000 1.101 107 D HN 0.435 nan 8.370 nan 0.000 0.476 108 D N 2.179 122.601 120.400 0.037 0.000 2.144 108 D HA -0.140 4.504 4.640 0.006 0.000 0.200 108 D C 0.620 176.896 176.300 -0.040 0.000 0.978 108 D CA 0.879 54.898 54.000 0.031 0.000 0.833 108 D CB 0.426 41.238 40.800 0.021 0.000 0.961 108 D HN 0.397 nan 8.370 nan 0.000 0.470 109 N N 0.942 119.617 118.700 -0.041 0.000 2.682 109 N HA 0.179 4.923 4.740 0.006 0.000 0.252 109 N C -2.956 172.526 175.510 -0.046 0.000 1.081 109 N CA -1.415 51.597 53.050 -0.063 0.000 0.844 109 N CB 1.792 40.248 38.487 -0.052 0.000 1.167 109 N HN -0.222 nan 8.380 nan 0.000 0.523 110 P HA 0.141 nan 4.420 nan 0.000 0.272 110 P C -0.144 177.139 177.300 -0.029 0.000 1.230 110 P CA -0.346 62.736 63.100 -0.030 0.000 0.788 110 P CB 0.647 32.325 31.700 -0.037 0.000 0.949 111 N N 1.288 119.982 118.700 -0.010 0.000 3.210 111 N HA 0.097 4.840 4.740 0.006 0.000 0.314 111 N C -0.753 174.750 175.510 -0.011 0.000 1.291 111 N CA 0.287 53.331 53.050 -0.010 0.000 1.202 111 N CB -1.185 37.301 38.487 -0.001 0.000 1.475 111 N HN 0.283 nan 8.380 nan 0.000 0.554 112 L N 0.434 121.642 121.223 -0.025 0.000 2.335 112 L HA 0.674 5.018 4.340 0.006 0.000 0.268 112 L C -1.571 175.286 176.870 -0.022 0.000 1.016 112 L CA -1.851 52.975 54.840 -0.024 0.000 0.805 112 L CB 0.578 42.610 42.059 -0.045 0.000 1.311 112 L HN 0.179 nan 8.230 nan 0.000 0.456 113 P HA 0.369 nan 4.420 nan 0.000 0.280 113 P C -1.213 176.079 177.300 -0.013 0.000 1.272 113 P CA -0.878 62.217 63.100 -0.008 0.000 0.819 113 P CB 0.582 32.283 31.700 0.002 0.000 1.122 114 R N 0.816 121.313 120.500 -0.004 0.000 2.641 114 R HA 0.200 4.543 4.340 0.006 0.000 0.269 114 R C -0.425 175.879 176.300 0.006 0.000 1.074 114 R CA -0.181 55.919 56.100 0.000 0.000 1.133 114 R CB -0.284 30.022 30.300 0.010 0.000 1.029 114 R HN 0.281 nan 8.270 nan 0.000 0.488 115 L N 5.971 127.199 121.223 0.008 0.000 2.433 115 L HA 0.194 4.538 4.340 0.006 0.000 0.284 115 L C -0.485 176.408 176.870 0.039 0.000 1.120 115 L CA 0.207 55.058 54.840 0.018 0.000 0.879 115 L CB 0.548 42.613 42.059 0.011 0.000 1.232 115 L HN 0.577 nan 8.230 nan 0.000 0.454 116 V N 7.490 127.427 119.914 0.039 0.000 2.521 116 V HA 0.181 4.305 4.120 0.006 0.000 0.286 116 V C 0.714 176.849 176.094 0.067 0.000 1.034 116 V CA -0.453 61.876 62.300 0.048 0.000 1.045 116 V CB 0.407 32.254 31.823 0.040 0.000 0.974 116 V HN 0.750 nan 8.190 nan 0.000 0.480 117 R N 6.381 126.928 120.500 0.079 0.000 2.340 117 R HA 0.426 4.770 4.340 0.006 0.000 0.300 117 R C -2.212 174.144 176.300 0.093 0.000 1.069 117 R CA -1.339 54.824 56.100 0.105 0.000 0.984 117 R CB 0.590 30.957 30.300 0.112 0.000 1.003 117 R HN 0.652 nan 8.270 nan 0.000 0.459 118 P HA 0.004 nan 4.420 nan 0.000 0.274 118 P C -0.692 176.660 177.300 0.087 0.000 1.237 118 P CA -0.550 62.603 63.100 0.089 0.000 0.793 118 P CB 0.487 32.246 31.700 0.098 0.000 0.977 119 E N -0.102 120.136 120.200 0.065 0.000 2.438 119 E HA -0.022 4.332 4.350 0.006 0.000 0.261 119 E C 0.509 177.149 176.600 0.066 0.000 1.103 119 E CA -0.646 55.788 56.400 0.057 0.000 0.959 119 E CB 0.100 29.825 29.700 0.041 0.000 0.958 119 E HN 0.067 nan 8.360 nan 0.000 0.447 120 V N 1.363 121.311 119.914 0.058 0.000 2.469 120 V HA -0.304 3.819 4.120 0.006 0.000 0.251 120 V C 1.832 177.966 176.094 0.067 0.000 1.064 120 V CA 2.376 64.715 62.300 0.066 0.000 1.066 120 V CB -1.386 30.457 31.823 0.033 0.000 0.667 120 V HN 0.870 nan 8.190 nan 0.000 0.461 121 D N 0.463 120.892 120.400 0.048 0.000 2.224 121 D HA -0.116 4.527 4.640 0.006 0.000 0.205 121 D C 1.709 178.027 176.300 0.030 0.000 0.965 121 D CA 0.990 55.015 54.000 0.041 0.000 0.852 121 D CB -0.434 40.388 40.800 0.036 0.000 0.947 121 D HN 0.309 nan 8.370 nan 0.000 0.494 122 V N 0.353 120.286 119.914 0.032 0.000 2.871 122 V HA -0.102 4.021 4.120 0.006 0.000 0.256 122 V C 2.402 178.491 176.094 -0.008 0.000 1.082 122 V CA 1.117 63.429 62.300 0.020 0.000 1.105 122 V CB -0.549 31.296 31.823 0.037 0.000 0.713 122 V HN 0.274 nan 8.190 nan 0.000 0.473 123 M N -0.640 118.970 119.600 0.016 0.000 2.098 123 M HA -0.160 4.323 4.480 0.006 0.000 0.262 123 M C 2.469 178.545 176.300 -0.373 0.000 1.072 123 M CA 1.741 57.014 55.300 -0.045 0.000 1.133 123 M CB -0.813 31.918 32.600 0.219 0.000 1.344 123 M HN 0.398 nan 8.290 nan 0.000 0.414 124 c N 0.442 118.921 118.600 -0.202 0.000 2.413 124 c HA -0.133 4.441 4.570 0.006 0.000 0.277 124 c C 2.912 176.772 174.090 -0.384 0.000 1.265 124 c CA 1.329 57.472 56.329 -0.310 0.000 1.752 124 c CB -1.228 41.258 42.510 -0.040 0.000 1.998 124 c HN 0.584 nan 8.230 nan 0.000 0.489 125 T N 1.439 115.902 114.554 -0.152 0.000 2.580 125 T HA -0.211 4.142 4.350 0.006 0.000 0.265 125 T C 2.112 176.714 174.700 -0.163 0.000 1.063 125 T CA 2.089 64.152 62.100 -0.062 0.000 1.170 125 T CB -0.571 68.288 68.868 -0.015 0.000 0.863 125 T HN 0.653 nan 8.240 nan 0.000 0.418 126 A N 0.545 123.233 122.820 -0.220 0.000 2.070 126 A HA -0.017 4.307 4.320 0.006 0.000 0.220 126 A C 1.957 179.257 177.584 -0.473 0.000 1.159 126 A CA 1.145 53.042 52.037 -0.232 0.000 0.656 126 A CB -0.909 18.028 19.000 -0.104 0.000 0.800 126 A HN 0.508 nan 8.150 nan 0.000 0.453 127 F N 0.095 119.423 119.950 -1.038 0.000 2.325 127 F HA -0.104 4.427 4.527 0.006 0.000 0.299 127 F C 2.259 177.674 175.800 -0.642 0.000 1.090 127 F CA 1.619 58.875 58.000 -1.240 0.000 1.392 127 F CB -0.118 37.950 39.000 -1.553 0.000 1.053 127 F HN 0.371 nan 8.300 nan 0.000 0.521 128 H N -0.741 118.108 119.070 -0.369 0.000 2.320 128 H HA 0.006 4.566 4.556 0.006 0.000 0.309 128 H C 1.841 177.034 175.328 -0.225 0.000 1.057 128 H CA 1.209 57.068 56.048 -0.315 0.000 1.374 128 H CB -0.857 28.805 29.762 -0.167 0.000 1.421 128 H HN 0.143 nan 8.280 nan 0.000 0.532 129 D N 0.949 121.329 120.400 -0.033 0.000 2.191 129 D HA -0.163 4.481 4.640 0.006 0.000 0.195 129 D C 0.232 176.506 176.300 -0.045 0.000 1.003 129 D CA 1.449 55.430 54.000 -0.032 0.000 0.867 129 D CB -0.148 40.639 40.800 -0.023 0.000 0.926 129 D HN 0.219 nan 8.370 nan 0.000 0.450 130 N N -0.416 118.237 118.700 -0.078 0.000 2.839 130 N HA -0.030 4.714 4.740 0.006 0.000 0.230 130 N C 0.084 175.556 175.510 -0.062 0.000 1.388 130 N CA -0.144 52.881 53.050 -0.042 0.000 0.747 130 N CB 0.977 39.479 38.487 0.025 0.000 1.411 130 N HN -0.224 nan 8.380 nan 0.000 0.556 131 E N 0.405 120.497 120.200 -0.181 0.000 2.401 131 E HA -0.190 4.164 4.350 0.006 0.000 0.199 131 E C 0.445 177.055 176.600 0.017 0.000 1.023 131 E CA 1.125 57.350 56.400 -0.292 0.000 0.859 131 E CB 0.560 29.965 29.700 -0.492 0.000 0.780 131 E HN 0.529 nan 8.360 nan 0.000 0.523 132 E N -1.004 119.236 120.200 0.067 0.000 2.206 132 E HA 0.049 4.402 4.350 0.006 0.000 0.195 132 E C 1.796 178.507 176.600 0.186 0.000 0.935 132 E CA 0.810 57.288 56.400 0.129 0.000 0.875 132 E CB -0.191 29.562 29.700 0.089 0.000 0.841 132 E HN -0.009 nan 8.360 nan 0.000 0.477 133 T N 0.810 115.471 114.554 0.178 0.000 2.833 133 T HA -0.112 4.242 4.350 0.006 0.000 0.269 133 T C 1.370 176.190 174.700 0.200 0.000 1.054 133 T CA 1.149 63.380 62.100 0.219 0.000 1.135 133 T CB -0.379 68.599 68.868 0.184 0.000 0.869 133 T HN 0.149 nan 8.240 nan 0.000 0.466 134 F N 1.467 121.456 119.950 0.065 0.000 2.039 134 F HA 0.020 4.551 4.527 0.006 0.000 0.294 134 F C 1.933 177.844 175.800 0.185 0.000 1.130 134 F CA 1.226 59.274 58.000 0.080 0.000 1.189 134 F CB -0.546 38.493 39.000 0.065 0.000 0.983 134 F HN 0.020 nan 8.300 nan 0.000 0.471 135 L N 0.129 121.527 121.223 0.290 0.000 2.191 135 L HA -0.230 4.114 4.340 0.006 0.000 0.212 135 L C 2.428 179.419 176.870 0.203 0.000 1.103 135 L CA 1.313 56.306 54.840 0.254 0.000 0.769 135 L CB -0.565 41.701 42.059 0.345 0.000 0.908 135 L HN 0.150 nan 8.230 nan 0.000 0.438 136 K N 0.411 120.938 120.400 0.211 0.000 2.025 136 K HA -0.204 4.120 4.320 0.006 0.000 0.207 136 K C 2.131 178.902 176.600 0.285 0.000 1.049 136 K CA 1.734 58.184 56.287 0.271 0.000 0.933 136 K CB -0.017 32.704 32.500 0.368 0.000 0.714 136 K HN 0.251 nan 8.250 nan 0.000 0.438 137 K N 0.279 120.731 120.400 0.086 0.000 2.097 137 K HA -0.221 4.102 4.320 0.006 0.000 0.206 137 K C 2.000 178.624 176.600 0.042 0.000 1.049 137 K CA 1.548 57.778 56.287 -0.095 0.000 0.933 137 K CB -0.999 31.161 32.500 -0.566 0.000 0.717 137 K HN 0.229 nan 8.250 nan 0.000 0.442 138 Y N 1.196 121.373 120.300 -0.206 0.000 2.145 138 Y HA -0.107 4.446 4.550 0.006 0.000 0.286 138 Y C 1.966 177.762 175.900 -0.174 0.000 1.145 138 Y CA 1.401 59.307 58.100 -0.323 0.000 1.148 138 Y CB -0.217 37.816 38.460 -0.711 0.000 0.981 138 Y HN 0.098 nan 8.280 nan 0.000 0.507 139 L N 0.100 121.305 121.223 -0.029 0.000 2.261 139 L HA -0.229 4.114 4.340 0.006 0.000 0.216 139 L C 1.933 178.791 176.870 -0.019 0.000 1.114 139 L CA 2.246 57.058 54.840 -0.047 0.000 0.777 139 L CB -0.940 41.199 42.059 0.132 0.000 0.910 139 L HN 0.606 nan 8.230 nan 0.000 0.440 140 Y N 0.029 120.288 120.300 -0.068 0.000 2.353 140 Y HA 0.018 4.572 4.550 0.006 0.000 0.294 140 Y C 2.340 178.210 175.900 -0.049 0.000 1.135 140 Y CA 0.521 58.619 58.100 -0.004 0.000 1.176 140 Y CB -0.114 38.455 38.460 0.182 0.000 1.124 140 Y HN 0.023 nan 8.280 nan 0.000 0.537 141 E N 0.787 120.762 120.200 -0.376 0.000 2.171 141 E HA -0.196 4.157 4.350 0.006 0.000 0.197 141 E C 2.003 178.405 176.600 -0.330 0.000 0.997 141 E CA 1.622 57.752 56.400 -0.450 0.000 0.810 141 E CB -0.211 29.356 29.700 -0.221 0.000 0.738 141 E HN 0.549 nan 8.360 nan 0.000 0.467 142 I N 0.696 121.086 120.570 -0.299 0.000 2.400 142 I HA -0.105 4.069 4.170 0.006 0.000 0.248 142 I C 2.308 178.436 176.117 0.017 0.000 1.109 142 I CA 0.971 62.181 61.300 -0.149 0.000 1.425 142 I CB -0.561 37.251 38.000 -0.314 0.000 1.094 142 I HN -0.053 nan 8.210 nan 0.000 0.425 143 A N 1.015 123.803 122.820 -0.055 0.000 2.067 143 A HA -0.154 4.169 4.320 0.006 0.000 0.219 143 A C 2.318 179.886 177.584 -0.027 0.000 1.158 143 A CA 1.313 53.367 52.037 0.028 0.000 0.661 143 A CB -0.635 18.373 19.000 0.013 0.000 0.801 143 A HN 0.533 nan 8.150 nan 0.000 0.452 144 R N -1.071 119.338 120.500 -0.152 0.000 2.210 144 R HA 0.138 4.481 4.340 0.006 0.000 0.203 144 R C 1.642 177.860 176.300 -0.135 0.000 1.010 144 R CA 0.659 56.663 56.100 -0.159 0.000 1.008 144 R CB -0.187 29.932 30.300 -0.301 0.000 0.923 144 R HN 0.343 nan 8.270 nan 0.000 0.469 145 R N 0.236 120.646 120.500 -0.151 0.000 2.280 145 R HA 0.137 4.481 4.340 0.006 0.000 0.195 145 R C -0.013 175.986 176.300 -0.501 0.000 0.935 145 R CA 0.372 56.307 56.100 -0.274 0.000 1.033 145 R CB 0.350 30.485 30.300 -0.276 0.000 0.964 145 R HN 0.366 nan 8.270 nan 0.000 0.489 146 H N -0.224 118.803 119.070 -0.071 0.000 2.429 146 H HA 0.184 4.743 4.556 0.006 0.000 0.231 146 H C -2.184 173.149 175.328 0.007 0.000 1.416 146 H CA -1.828 54.192 56.048 -0.047 0.000 1.443 146 H CB 1.587 31.273 29.762 -0.128 0.000 1.591 146 H HN -0.082 nan 8.280 nan 0.000 0.507 147 P HA -0.122 nan 4.420 nan 0.000 0.226 147 P C 0.125 177.230 177.300 -0.326 0.000 1.146 147 P CA 1.349 64.344 63.100 -0.177 0.000 0.773 147 P CB -0.072 31.453 31.700 -0.292 0.000 0.772 148 Y N -3.384 116.952 120.300 0.061 0.000 2.716 148 Y HA 0.278 4.831 4.550 0.005 0.000 0.260 148 Y C 0.632 176.631 175.900 0.166 0.000 1.141 148 Y CA -1.049 57.088 58.100 0.061 0.000 1.168 148 Y CB -0.159 38.296 38.460 -0.009 0.000 1.189 148 Y HN -0.176 nan 8.280 nan 0.000 0.549 149 F N 0.735 120.774 119.950 0.148 0.000 2.506 149 F HA 0.031 4.562 4.527 0.006 0.000 0.351 149 F C 0.382 176.316 175.800 0.223 0.000 1.136 149 F CA -1.154 56.937 58.000 0.152 0.000 1.298 149 F CB 0.238 39.288 39.000 0.083 0.000 1.145 149 F HN 0.072 nan 8.300 nan 0.000 0.593 150 Y N 6.154 126.861 120.300 0.678 0.000 2.691 150 Y HA 0.152 4.705 4.550 0.006 0.000 0.359 150 Y C 1.254 177.179 175.900 0.043 0.000 1.292 150 Y CA -0.342 57.946 58.100 0.313 0.000 1.822 150 Y CB -0.464 38.222 38.460 0.377 0.000 1.481 150 Y HN 0.689 nan 8.280 nan 0.000 0.461 151 A N 6.559 129.549 122.820 0.283 0.000 1.915 151 A HA -0.240 4.084 4.320 0.006 0.000 0.220 151 A C -0.303 177.267 177.584 -0.025 0.000 1.198 151 A CA 2.084 54.161 52.037 0.067 0.000 0.647 151 A CB -1.638 17.405 19.000 0.070 0.000 0.825 151 A HN 0.581 nan 8.150 nan 0.000 0.456 152 P HA -0.096 nan 4.420 nan 0.000 0.217 152 P C 1.381 178.566 177.300 -0.191 0.000 1.151 152 P CA 1.061 64.095 63.100 -0.109 0.000 0.828 152 P CB -0.051 31.566 31.700 -0.137 0.000 0.788 153 E N -0.407 119.590 120.200 -0.338 0.000 2.118 153 E HA -0.173 4.181 4.350 0.006 0.000 0.195 153 E C 1.855 178.430 176.600 -0.042 0.000 0.992 153 E CA 0.922 57.196 56.400 -0.209 0.000 0.804 153 E CB -0.860 28.807 29.700 -0.055 0.000 0.741 153 E HN 0.134 nan 8.360 nan 0.000 0.458 154 L N 0.967 122.027 121.223 -0.271 0.000 2.187 154 L HA -0.147 4.197 4.340 0.006 0.000 0.213 154 L C 2.073 178.961 176.870 0.031 0.000 1.100 154 L CA 1.225 55.888 54.840 -0.295 0.000 0.765 154 L CB -0.426 41.245 42.059 -0.646 0.000 0.904 154 L HN 0.070 nan 8.230 nan 0.000 0.437 155 L N -1.945 119.280 121.223 0.004 0.000 2.005 155 L HA -0.200 4.144 4.340 0.006 0.000 0.207 155 L C 2.417 179.340 176.870 0.088 0.000 1.072 155 L CA 1.396 56.270 54.840 0.057 0.000 0.744 155 L CB -0.803 41.274 42.059 0.031 0.000 0.895 155 L HN 0.296 nan 8.230 nan 0.000 0.433 156 F N 0.587 120.448 119.950 -0.148 0.000 2.192 156 F HA -0.282 4.249 4.527 0.006 0.000 0.301 156 F C 2.044 177.695 175.800 -0.248 0.000 1.079 156 F CA 1.336 59.177 58.000 -0.265 0.000 1.303 156 F CB -0.466 38.239 39.000 -0.493 0.000 1.024 156 F HN -0.100 nan 8.300 nan 0.000 0.494 157 F N 0.291 120.135 119.950 -0.176 0.000 2.113 157 F HA -0.097 4.434 4.527 0.006 0.000 0.297 157 F C 2.656 178.429 175.800 -0.046 0.000 1.103 157 F CA 1.290 59.195 58.000 -0.159 0.000 1.248 157 F CB -1.279 37.759 39.000 0.063 0.000 0.999 157 F HN 0.016 nan 8.300 nan 0.000 0.475 158 A N -0.001 122.999 122.820 0.300 0.000 2.024 158 A HA -0.250 4.074 4.320 0.006 0.000 0.220 158 A C 2.174 179.835 177.584 0.128 0.000 1.164 158 A CA 1.940 54.113 52.037 0.227 0.000 0.643 158 A CB -0.778 18.402 19.000 0.300 0.000 0.806 158 A HN 0.439 nan 8.150 nan 0.000 0.451 159 K N -0.314 120.098 120.400 0.019 0.000 2.007 159 K HA -0.096 4.227 4.320 0.006 0.000 0.206 159 K C 2.079 178.618 176.600 -0.101 0.000 1.047 159 K CA 1.254 57.526 56.287 -0.024 0.000 0.937 159 K CB -0.248 32.227 32.500 -0.042 0.000 0.718 159 K HN 0.359 nan 8.250 nan 0.000 0.438 160 R N -0.796 119.526 120.500 -0.297 0.000 2.241 160 R HA -0.140 4.203 4.340 0.006 0.000 0.224 160 R C 2.084 178.315 176.300 -0.116 0.000 1.101 160 R CA 1.190 57.130 56.100 -0.267 0.000 0.995 160 R CB -0.273 29.759 30.300 -0.447 0.000 0.870 160 R HN 0.349 nan 8.270 nan 0.000 0.463 161 Y N 1.546 121.719 120.300 -0.213 0.000 2.153 161 Y HA -0.155 4.399 4.550 0.006 0.000 0.289 161 Y C 2.345 178.212 175.900 -0.056 0.000 1.119 161 Y CA 1.384 59.335 58.100 -0.247 0.000 1.116 161 Y CB -0.108 38.004 38.460 -0.581 0.000 1.004 161 Y HN -0.193 nan 8.280 nan 0.000 0.501 162 K N 0.221 120.672 120.400 0.085 0.000 2.001 162 K HA -0.258 4.066 4.320 0.006 0.000 0.214 162 K C 2.235 178.861 176.600 0.043 0.000 1.050 162 K CA 1.706 58.087 56.287 0.156 0.000 0.934 162 K CB -0.574 32.086 32.500 0.267 0.000 0.718 162 K HN 0.384 nan 8.250 nan 0.000 0.443 163 A N 1.095 123.923 122.820 0.012 0.000 1.892 163 A HA -0.190 4.133 4.320 0.006 0.000 0.218 163 A C 2.381 179.899 177.584 -0.110 0.000 1.188 163 A CA 2.310 54.336 52.037 -0.017 0.000 0.631 163 A CB -1.084 17.899 19.000 -0.029 0.000 0.822 163 A HN 0.565 nan 8.150 nan 0.000 0.447 164 A N -1.728 120.963 122.820 -0.214 0.000 1.986 164 A HA -0.076 4.248 4.320 0.006 0.000 0.220 164 A C 1.925 179.211 177.584 -0.496 0.000 1.171 164 A CA 1.821 53.647 52.037 -0.351 0.000 0.640 164 A CB -0.655 18.075 19.000 -0.451 0.000 0.811 164 A HN 0.502 nan 8.150 nan 0.000 0.451 165 F N 0.186 119.831 119.950 -0.508 0.000 2.220 165 F HA -0.044 4.486 4.527 0.006 0.000 0.290 165 F C 2.943 178.511 175.800 -0.386 0.000 1.080 165 F CA 1.748 59.319 58.000 -0.715 0.000 1.318 165 F CB -0.907 37.086 39.000 -1.678 0.000 1.063 165 F HN 0.328 nan 8.300 nan 0.000 0.498 166 T N -1.856 112.710 114.554 0.021 0.000 2.822 166 T HA -0.270 4.083 4.350 0.006 0.000 0.270 166 T C 1.712 176.477 174.700 0.108 0.000 1.064 166 T CA 1.806 64.036 62.100 0.217 0.000 1.131 166 T CB -0.467 68.537 68.868 0.226 0.000 0.858 166 T HN 0.504 nan 8.240 nan 0.000 0.483 167 E N -0.314 119.896 120.200 0.017 0.000 2.057 167 E HA -0.003 4.351 4.350 0.006 0.000 0.190 167 E C 1.651 178.240 176.600 -0.018 0.000 0.969 167 E CA 0.629 57.028 56.400 -0.001 0.000 0.812 167 E CB -0.239 29.443 29.700 -0.030 0.000 0.777 167 E HN 0.509 nan 8.360 nan 0.000 0.455 168 c N 0.947 119.499 118.600 -0.080 0.000 2.539 168 c HA 0.155 4.729 4.570 0.006 0.000 0.271 168 c C 1.228 175.293 174.090 -0.042 0.000 1.412 168 c CA -0.271 56.002 56.329 -0.093 0.000 1.729 168 c CB -1.308 41.087 42.510 -0.192 0.000 1.739 168 c HN 0.506 nan 8.230 nan 0.000 0.570 169 c N 2.647 121.261 118.600 0.024 0.000 2.365 169 c HA 0.227 4.801 4.570 0.006 0.000 0.386 169 c C 0.408 174.561 174.090 0.105 0.000 1.357 169 c CA -0.033 56.354 56.329 0.097 0.000 1.747 169 c CB -2.209 40.419 42.510 0.197 0.000 2.487 169 c HN 0.737 nan 8.230 nan 0.000 0.585 170 Q N -0.138 119.695 119.800 0.054 0.000 3.091 170 Q HA 0.550 4.893 4.340 0.006 0.000 0.203 170 Q C -1.242 174.771 176.000 0.021 0.000 0.768 170 Q CA -0.223 55.606 55.803 0.043 0.000 0.955 170 Q CB 0.191 28.956 28.738 0.045 0.000 1.533 170 Q HN 0.290 nan 8.270 nan 0.000 0.472 171 A N 0.701 123.531 122.820 0.017 0.000 2.586 171 A HA 0.729 5.053 4.320 0.006 0.000 0.298 171 A C 0.323 177.912 177.584 0.008 0.000 1.013 171 A CA -0.112 51.930 52.037 0.008 0.000 0.707 171 A CB 0.340 19.341 19.000 0.001 0.000 1.276 171 A HN 0.992 nan 8.150 nan 0.000 0.414 172 A N 0.379 123.202 122.820 0.006 0.000 1.915 172 A HA -0.079 4.244 4.320 0.006 0.000 0.220 172 A C 0.953 178.540 177.584 0.006 0.000 1.198 172 A CA 2.815 54.856 52.037 0.006 0.000 0.647 172 A CB -0.330 18.672 19.000 0.004 0.000 0.825 172 A HN 1.027 nan 8.150 nan 0.000 0.456 173 D N -1.711 118.690 120.400 0.002 0.000 2.607 173 D HA 0.222 4.866 4.640 0.006 0.000 0.318 173 D C 1.200 177.497 176.300 -0.005 0.000 1.212 173 D CA -0.039 53.961 54.000 0.000 0.000 0.861 173 D CB 0.130 40.929 40.800 -0.001 0.000 1.064 173 D HN 0.498 nan 8.370 nan 0.000 0.500 174 K N 0.150 120.549 120.400 -0.003 0.000 2.281 174 K HA -0.166 4.158 4.320 0.006 0.000 0.203 174 K C 1.712 178.297 176.600 -0.026 0.000 1.046 174 K CA 1.123 57.402 56.287 -0.013 0.000 0.938 174 K CB -0.082 32.419 32.500 0.001 0.000 0.737 174 K HN 0.162 nan 8.250 nan 0.000 0.458 175 A N 2.149 124.962 122.820 -0.013 0.000 1.873 175 A HA -0.148 4.176 4.320 0.006 0.000 0.218 175 A C 2.500 180.067 177.584 -0.028 0.000 1.193 175 A CA 2.272 54.300 52.037 -0.014 0.000 0.629 175 A CB -0.941 18.059 19.000 0.000 0.000 0.826 175 A HN 0.540 nan 8.150 nan 0.000 0.447 176 A N -1.730 121.077 122.820 -0.022 0.000 2.208 176 A HA 0.047 4.371 4.320 0.006 0.000 0.209 176 A C 2.152 179.715 177.584 -0.035 0.000 1.161 176 A CA 1.254 53.277 52.037 -0.023 0.000 0.782 176 A CB -1.096 17.896 19.000 -0.013 0.000 0.816 176 A HN 0.943 nan 8.150 nan 0.000 0.477 177 c N -1.427 117.146 118.600 -0.045 0.000 2.492 177 c HA 0.126 4.699 4.570 0.006 0.000 0.279 177 c C 2.258 176.291 174.090 -0.094 0.000 1.335 177 c CA 1.114 57.409 56.329 -0.058 0.000 1.734 177 c CB -1.074 41.404 42.510 -0.053 0.000 2.027 177 c HN 0.530 nan 8.230 nan 0.000 0.496 178 L N 1.107 122.257 121.223 -0.123 0.000 2.022 178 L HA 0.178 4.521 4.340 0.006 0.000 0.204 178 L C 2.459 179.223 176.870 -0.178 0.000 1.076 178 L CA 1.858 56.571 54.840 -0.211 0.000 0.749 178 L CB -0.984 40.914 42.059 -0.267 0.000 0.903 178 L HN 0.343 nan 8.230 nan 0.000 0.439 179 L N 0.033 121.188 121.223 -0.114 0.000 1.990 179 L HA -0.198 4.146 4.340 0.006 0.000 0.213 179 L C -0.111 176.729 176.870 -0.050 0.000 1.072 179 L CA 1.660 56.459 54.840 -0.069 0.000 0.755 179 L CB -2.475 39.566 42.059 -0.029 0.000 0.889 179 L HN 0.252 nan 8.230 nan 0.000 0.432 180 P HA -0.171 nan 4.420 nan 0.000 0.224 180 P C 1.123 178.407 177.300 -0.026 0.000 1.142 180 P CA 1.469 64.555 63.100 -0.023 0.000 0.778 180 P CB -0.014 31.674 31.700 -0.021 0.000 0.764 181 K N -1.680 118.685 120.400 -0.059 0.000 2.348 181 K HA 0.191 4.515 4.320 0.006 0.000 0.194 181 K C 1.773 178.340 176.600 -0.055 0.000 1.052 181 K CA 0.194 56.444 56.287 -0.062 0.000 1.004 181 K CB -0.092 32.345 32.500 -0.106 0.000 0.873 181 K HN 0.150 nan 8.250 nan 0.000 0.523 182 L N 1.133 122.314 121.223 -0.070 0.000 2.240 182 L HA -0.092 4.252 4.340 0.006 0.000 0.211 182 L C 1.362 178.257 176.870 0.042 0.000 1.106 182 L CA 0.889 55.720 54.840 -0.016 0.000 0.793 182 L CB -0.037 42.003 42.059 -0.033 0.000 0.927 182 L HN 0.154 nan 8.230 nan 0.000 0.446 183 D N -0.449 119.966 120.400 0.025 0.000 2.194 183 D HA -0.155 4.488 4.640 0.006 0.000 0.204 183 D C 2.027 178.358 176.300 0.051 0.000 0.964 183 D CA 0.624 54.648 54.000 0.040 0.000 0.846 183 D CB 0.212 41.030 40.800 0.029 0.000 0.962 183 D HN 0.216 nan 8.370 nan 0.000 0.490 184 E N 0.622 120.852 120.200 0.049 0.000 2.072 184 E HA -0.140 4.213 4.350 0.006 0.000 0.191 184 E C 2.158 178.818 176.600 0.100 0.000 0.985 184 E CA 0.366 56.808 56.400 0.070 0.000 0.801 184 E CB -0.066 29.670 29.700 0.061 0.000 0.750 184 E HN 0.160 nan 8.360 nan 0.000 0.452 185 L N 1.479 122.764 121.223 0.103 0.000 1.961 185 L HA -0.194 4.149 4.340 0.006 0.000 0.210 185 L C 2.862 179.789 176.870 0.095 0.000 1.072 185 L CA 2.341 57.271 54.840 0.151 0.000 0.749 185 L CB -0.683 41.477 42.059 0.168 0.000 0.889 185 L HN 0.064 nan 8.230 nan 0.000 0.432 186 R N -0.311 120.236 120.500 0.079 0.000 2.162 186 R HA -0.256 4.088 4.340 0.006 0.000 0.245 186 R C 1.876 178.172 176.300 -0.008 0.000 1.129 186 R CA 2.548 58.668 56.100 0.033 0.000 0.940 186 R CB -0.948 29.380 30.300 0.048 0.000 0.875 186 R HN 0.493 nan 8.270 nan 0.000 0.437 187 D N -0.068 120.349 120.400 0.027 0.000 2.077 187 D HA -0.193 4.450 4.640 0.006 0.000 0.196 187 D C 1.837 178.154 176.300 0.028 0.000 0.986 187 D CA 1.499 55.515 54.000 0.027 0.000 0.829 187 D CB -0.521 40.313 40.800 0.058 0.000 0.983 187 D HN 0.517 nan 8.370 nan 0.000 0.453 188 E N 0.716 120.970 120.200 0.090 0.000 2.187 188 E HA -0.183 4.170 4.350 0.006 0.000 0.199 188 E C 2.049 178.729 176.600 0.134 0.000 1.004 188 E CA 1.402 57.904 56.400 0.170 0.000 0.813 188 E CB -0.194 29.672 29.700 0.276 0.000 0.736 188 E HN 0.265 nan 8.360 nan 0.000 0.468 189 G N 0.806 109.550 108.800 -0.093 0.000 2.394 189 G HA2 -0.267 3.696 3.960 0.006 0.000 0.214 189 G HA3 -0.267 3.696 3.960 0.006 0.000 0.214 189 G C 1.579 176.220 174.900 -0.432 0.000 1.176 189 G CA 0.763 45.582 45.100 -0.469 0.000 0.786 189 G HN 0.183 nan 8.290 nan 0.000 0.533 190 K N 0.423 120.632 120.400 -0.318 0.000 2.211 190 K HA 0.061 4.384 4.320 0.006 0.000 0.204 190 K C 2.642 179.101 176.600 -0.235 0.000 1.047 190 K CA 1.118 57.216 56.287 -0.315 0.000 0.935 190 K CB -0.168 32.252 32.500 -0.133 0.000 0.728 190 K HN 0.259 nan 8.250 nan 0.000 0.452 191 A N -0.339 122.404 122.820 -0.127 0.000 1.898 191 A HA -0.091 4.233 4.320 0.006 0.000 0.214 191 A C 2.098 179.646 177.584 -0.060 0.000 1.183 191 A CA 1.648 53.644 52.037 -0.069 0.000 0.622 191 A CB -0.697 18.325 19.000 0.036 0.000 0.824 191 A HN 0.329 nan 8.150 nan 0.000 0.444 192 S N -0.406 115.299 115.700 0.007 0.000 2.356 192 S HA -0.164 4.309 4.470 0.006 0.000 0.223 192 S C 2.344 176.903 174.600 -0.069 0.000 1.032 192 S CA 1.978 60.262 58.200 0.139 0.000 1.005 192 S CB -0.473 63.029 63.200 0.503 0.000 0.867 192 S HN 0.615 nan 8.310 nan 0.000 0.449 193 S N 0.615 115.999 115.700 -0.525 0.000 2.387 193 S HA -0.093 4.380 4.470 0.006 0.000 0.230 193 S C 1.978 176.433 174.600 -0.241 0.000 1.035 193 S CA 1.559 59.366 58.200 -0.655 0.000 1.014 193 S CB -0.685 61.938 63.200 -0.960 0.000 0.836 193 S HN 0.689 nan 8.310 nan 0.000 0.466 194 A N 0.974 123.672 122.820 -0.202 0.000 1.929 194 A HA 0.035 4.358 4.320 0.006 0.000 0.216 194 A C 2.156 179.654 177.584 -0.144 0.000 1.176 194 A CA 1.179 53.117 52.037 -0.164 0.000 0.628 194 A CB -0.387 18.489 19.000 -0.206 0.000 0.816 194 A HN 0.591 nan 8.150 nan 0.000 0.444 195 K N -0.837 119.501 120.400 -0.104 0.000 2.025 195 K HA -0.177 4.147 4.320 0.006 0.000 0.207 195 K C 2.361 178.901 176.600 -0.101 0.000 1.049 195 K CA 1.539 57.779 56.287 -0.078 0.000 0.933 195 K CB -0.156 32.351 32.500 0.011 0.000 0.714 195 K HN 0.438 nan 8.250 nan 0.000 0.438 196 Q N 1.560 121.337 119.800 -0.038 0.000 2.030 196 Q HA -0.201 4.143 4.340 0.006 0.000 0.204 196 Q C 2.038 177.976 176.000 -0.102 0.000 0.986 196 Q CA 1.677 57.449 55.803 -0.051 0.000 0.843 196 Q CB -0.237 28.570 28.738 0.115 0.000 0.904 196 Q HN 0.024 nan 8.270 nan 0.000 0.420 197 R N 0.083 120.533 120.500 -0.083 0.000 2.119 197 R HA -0.174 4.170 4.340 0.006 0.000 0.246 197 R C 2.036 178.220 176.300 -0.194 0.000 1.146 197 R CA 1.785 57.800 56.100 -0.143 0.000 0.962 197 R CB -1.240 28.981 30.300 -0.131 0.000 0.863 197 R HN 0.451 nan 8.270 nan 0.000 0.442 198 L N 0.786 121.903 121.223 -0.177 0.000 2.046 198 L HA -0.124 4.219 4.340 0.006 0.000 0.208 198 L C 1.784 178.529 176.870 -0.209 0.000 1.077 198 L CA 1.987 56.717 54.840 -0.182 0.000 0.747 198 L CB -0.481 41.467 42.059 -0.185 0.000 0.896 198 L HN 0.174 nan 8.230 nan 0.000 0.432 199 K N -1.214 119.027 120.400 -0.265 0.000 2.026 199 K HA -0.174 4.149 4.320 0.006 0.000 0.208 199 K C 2.128 178.582 176.600 -0.243 0.000 1.048 199 K CA 1.783 57.910 56.287 -0.266 0.000 0.929 199 K CB -0.682 31.585 32.500 -0.387 0.000 0.713 199 K HN 0.433 nan 8.250 nan 0.000 0.439 200 c N 0.765 119.222 118.600 -0.237 0.000 2.429 200 c HA -0.089 4.484 4.570 0.006 0.000 0.277 200 c C 2.948 176.913 174.090 -0.209 0.000 1.262 200 c CA 0.844 57.040 56.329 -0.221 0.000 1.733 200 c CB -0.987 41.417 42.510 -0.177 0.000 2.010 200 c HN 0.560 nan 8.230 nan 0.000 0.483 201 A N 1.078 123.776 122.820 -0.204 0.000 1.972 201 A HA -0.147 4.176 4.320 0.006 0.000 0.219 201 A C 2.256 179.846 177.584 0.009 0.000 1.169 201 A CA 2.167 54.122 52.037 -0.138 0.000 0.635 201 A CB -0.700 18.225 19.000 -0.125 0.000 0.810 201 A HN 0.723 nan 8.150 nan 0.000 0.446 202 S N -0.865 114.851 115.700 0.027 0.000 2.522 202 S HA 0.122 4.596 4.470 0.006 0.000 0.227 202 S C 1.647 176.340 174.600 0.155 0.000 0.986 202 S CA 0.868 59.179 58.200 0.185 0.000 0.929 202 S CB -0.391 62.853 63.200 0.074 0.000 0.769 202 S HN 0.450 nan 8.310 nan 0.000 0.529 203 L N 0.424 121.630 121.223 -0.029 0.000 2.130 203 L HA 0.143 4.486 4.340 0.006 0.000 0.200 203 L C 2.806 179.634 176.870 -0.070 0.000 1.075 203 L CA 0.821 55.603 54.840 -0.095 0.000 0.768 203 L CB -0.509 41.397 42.059 -0.256 0.000 0.933 203 L HN 0.276 nan 8.230 nan 0.000 0.451 204 Q N -0.150 119.587 119.800 -0.106 0.000 2.436 204 Q HA -0.079 4.265 4.340 0.006 0.000 0.209 204 Q C 1.510 177.412 176.000 -0.164 0.000 0.965 204 Q CA 0.695 56.423 55.803 -0.126 0.000 0.910 204 Q CB 0.286 28.937 28.738 -0.145 0.000 0.980 204 Q HN 0.228 nan 8.270 nan 0.000 0.491 205 K N -0.951 119.334 120.400 -0.192 0.000 2.399 205 K HA 0.144 4.467 4.320 0.006 0.000 0.196 205 K C 0.261 176.399 176.600 -0.770 0.000 1.117 205 K CA 0.548 56.541 56.287 -0.491 0.000 0.965 205 K CB 0.786 32.937 32.500 -0.581 0.000 0.983 205 K HN 0.115 nan 8.250 nan 0.000 0.531 206 F N 0.377 120.309 119.950 -0.029 0.000 2.837 206 F HA 0.323 4.854 4.527 0.006 0.000 0.328 206 F C 0.925 176.731 175.800 0.010 0.000 1.173 206 F CA -0.256 57.741 58.000 -0.006 0.000 1.160 206 F CB 0.618 39.620 39.000 0.003 0.000 1.115 206 F HN 0.069 nan 8.300 nan 0.000 0.512 207 G N 2.042 110.900 108.800 0.096 0.000 2.740 207 G HA2 -0.338 3.626 3.960 0.006 0.000 0.250 207 G HA3 -0.338 3.626 3.960 0.006 0.000 0.250 207 G C 0.862 175.830 174.900 0.113 0.000 1.358 207 G CA 0.440 45.585 45.100 0.076 0.000 0.897 207 G HN 0.589 nan 8.290 nan 0.000 0.567 208 E N -0.264 119.999 120.200 0.105 0.000 2.400 208 E HA 0.063 4.416 4.350 0.006 0.000 0.195 208 E C 2.219 178.941 176.600 0.204 0.000 1.012 208 E CA 0.543 57.040 56.400 0.162 0.000 0.875 208 E CB -0.008 29.762 29.700 0.117 0.000 0.859 208 E HN 0.681 nan 8.360 nan 0.000 0.498 209 R N 1.386 121.976 120.500 0.150 0.000 2.113 209 R HA -0.220 4.123 4.340 0.006 0.000 0.244 209 R C 2.181 178.569 176.300 0.147 0.000 1.142 209 R CA 2.021 58.202 56.100 0.135 0.000 0.953 209 R CB -0.506 29.860 30.300 0.109 0.000 0.860 209 R HN 0.251 nan 8.270 nan 0.000 0.438 210 A N 0.447 123.364 122.820 0.161 0.000 1.873 210 A HA -0.157 4.167 4.320 0.006 0.000 0.215 210 A C 2.032 179.720 177.584 0.173 0.000 1.186 210 A CA 1.248 53.365 52.037 0.132 0.000 0.616 210 A CB -0.880 18.191 19.000 0.118 0.000 0.823 210 A HN 0.522 nan 8.150 nan 0.000 0.442 211 F N 0.933 120.924 119.950 0.068 0.000 2.043 211 F HA -0.240 4.291 4.527 0.006 0.000 0.297 211 F C 2.266 178.188 175.800 0.203 0.000 1.121 211 F CA 2.374 60.422 58.000 0.080 0.000 1.199 211 F CB -0.338 38.683 39.000 0.036 0.000 0.968 211 F HN 0.139 nan 8.300 nan 0.000 0.478 212 K N 0.009 120.554 120.400 0.241 0.000 2.034 212 K HA -0.271 4.053 4.320 0.006 0.000 0.214 212 K C 2.208 178.838 176.600 0.049 0.000 1.051 212 K CA 1.668 58.035 56.287 0.134 0.000 0.931 212 K CB -0.829 31.763 32.500 0.153 0.000 0.715 212 K HN 0.392 nan 8.250 nan 0.000 0.446 213 A N 0.526 123.386 122.820 0.066 0.000 2.084 213 A HA -0.206 4.117 4.320 0.006 0.000 0.221 213 A C 1.843 179.422 177.584 -0.009 0.000 1.161 213 A CA 1.535 53.587 52.037 0.025 0.000 0.653 213 A CB -0.818 18.200 19.000 0.029 0.000 0.802 213 A HN 0.686 nan 8.150 nan 0.000 0.457 214 W N 0.335 121.509 121.300 -0.209 0.000 2.407 214 W HA 0.031 4.694 4.660 0.006 0.000 0.305 214 W C 2.305 178.669 176.519 -0.260 0.000 1.196 214 W CA 1.767 58.956 57.345 -0.260 0.000 1.311 214 W CB -0.274 28.967 29.460 -0.364 0.000 1.135 214 W HN 0.291 nan 8.180 nan 0.000 0.514 215 A N 0.426 123.038 122.820 -0.348 0.000 1.858 215 A HA -0.179 4.144 4.320 0.006 0.000 0.216 215 A C 1.983 179.332 177.584 -0.393 0.000 1.190 215 A CA 2.466 54.149 52.037 -0.589 0.000 0.617 215 A CB -1.342 17.567 19.000 -0.153 0.000 0.827 215 A HN 0.226 nan 8.150 nan 0.000 0.443 216 V N -0.078 119.722 119.914 -0.190 0.000 2.527 216 V HA -0.316 3.808 4.120 0.006 0.000 0.255 216 V C 2.812 178.825 176.094 -0.135 0.000 1.081 216 V CA 2.103 64.345 62.300 -0.097 0.000 1.092 216 V CB -1.405 30.408 31.823 -0.017 0.000 0.673 216 V HN 0.647 nan 8.190 nan 0.000 0.470 217 A N -0.282 122.380 122.820 -0.263 0.000 1.871 217 A HA -0.052 4.272 4.320 0.006 0.000 0.211 217 A C 2.380 179.755 177.584 -0.349 0.000 1.207 217 A CA 1.223 53.097 52.037 -0.272 0.000 0.620 217 A CB -0.367 18.467 19.000 -0.276 0.000 0.860 217 A HN 0.406 nan 8.150 nan 0.000 0.450 218 R N -0.604 119.537 120.500 -0.599 0.000 2.276 218 R HA 0.256 4.600 4.340 0.006 0.000 0.196 218 R C 1.315 177.321 176.300 -0.490 0.000 0.961 218 R CA 0.215 55.969 56.100 -0.577 0.000 1.024 218 R CB -0.120 29.683 30.300 -0.829 0.000 0.940 218 R HN 0.497 nan 8.270 nan 0.000 0.480 219 L N -0.606 120.362 121.223 -0.426 0.000 2.375 219 L HA 0.047 4.391 4.340 0.006 0.000 0.215 219 L C 1.915 178.677 176.870 -0.181 0.000 1.108 219 L CA 0.414 55.072 54.840 -0.304 0.000 0.830 219 L CB 0.110 42.096 42.059 -0.122 0.000 0.959 219 L HN 0.145 nan 8.230 nan 0.000 0.457 220 S N -0.209 115.421 115.700 -0.116 0.000 2.335 220 S HA -0.186 4.287 4.470 0.006 0.000 0.217 220 S C 1.843 176.379 174.600 -0.107 0.000 1.032 220 S CA 1.122 59.305 58.200 -0.028 0.000 0.985 220 S CB -0.158 63.029 63.200 -0.023 0.000 0.896 220 S HN 0.409 nan 8.310 nan 0.000 0.445 221 Q N 0.648 120.354 119.800 -0.155 0.000 2.112 221 Q HA -0.188 4.155 4.340 0.006 0.000 0.206 221 Q C 2.400 178.289 176.000 -0.185 0.000 0.987 221 Q CA 1.497 57.214 55.803 -0.143 0.000 0.858 221 Q CB -0.197 28.464 28.738 -0.129 0.000 0.905 221 Q HN 0.377 nan 8.270 nan 0.000 0.420 222 R N -0.050 120.248 120.500 -0.337 0.000 2.062 222 R HA -0.081 4.262 4.340 0.006 0.000 0.231 222 R C 0.023 176.058 176.300 -0.441 0.000 1.136 222 R CA 1.047 56.824 56.100 -0.538 0.000 0.948 222 R CB 0.203 29.906 30.300 -0.994 0.000 0.845 222 R HN 0.095 nan 8.270 nan 0.000 0.430 223 F N 1.094 121.037 119.950 -0.012 0.000 2.389 223 F HA 0.383 4.913 4.527 0.006 0.000 0.327 223 F C -1.813 174.006 175.800 0.032 0.000 1.204 223 F CA -3.116 54.890 58.000 0.011 0.000 1.209 223 F CB 1.305 40.319 39.000 0.023 0.000 1.460 223 F HN 0.035 nan 8.300 nan 0.000 0.537 224 P HA -0.202 nan 4.420 nan 0.000 0.216 224 P C 0.657 178.016 177.300 0.100 0.000 1.153 224 P CA 1.024 64.152 63.100 0.047 0.000 0.844 224 P CB 0.312 31.996 31.700 -0.027 0.000 0.787 225 K N 0.806 121.270 120.400 0.106 0.000 2.121 225 K HA 0.394 4.718 4.320 0.006 0.000 0.235 225 K C -0.909 175.770 176.600 0.130 0.000 1.200 225 K CA -0.225 56.122 56.287 0.100 0.000 1.115 225 K CB -0.817 31.723 32.500 0.066 0.000 1.474 225 K HN 0.021 nan 8.250 nan 0.000 0.295 226 A N 2.648 125.581 122.820 0.189 0.000 2.583 226 A HA 0.206 4.529 4.320 0.006 0.000 0.298 226 A C -1.099 176.628 177.584 0.239 0.000 1.055 226 A CA -0.959 51.182 52.037 0.175 0.000 0.714 226 A CB 0.752 19.847 19.000 0.157 0.000 1.277 226 A HN 0.486 nan 8.150 nan 0.000 0.406 227 E N 0.875 121.158 120.200 0.139 0.000 2.467 227 E HA 0.018 4.372 4.350 0.006 0.000 0.264 227 E C 0.842 177.382 176.600 -0.100 0.000 1.020 227 E CA 0.240 56.699 56.400 0.099 0.000 0.945 227 E CB 0.191 29.929 29.700 0.063 0.000 0.942 227 E HN 0.745 nan 8.360 nan 0.000 0.449 228 F N 2.827 122.465 119.950 -0.520 0.000 2.095 228 F HA -0.234 4.296 4.527 0.006 0.000 0.298 228 F C 1.822 177.333 175.800 -0.483 0.000 1.104 228 F CA 2.238 59.529 58.000 -1.182 0.000 1.232 228 F CB -0.055 38.415 39.000 -0.884 0.000 0.987 228 F HN 0.466 nan 8.300 nan 0.000 0.475 229 A N -0.809 121.794 122.820 -0.363 0.000 2.208 229 A HA 0.009 4.333 4.320 0.006 0.000 0.209 229 A C 1.893 179.350 177.584 -0.213 0.000 1.161 229 A CA 1.026 52.849 52.037 -0.357 0.000 0.782 229 A CB -0.725 18.263 19.000 -0.020 0.000 0.816 229 A HN 0.521 nan 8.150 nan 0.000 0.477 230 E N -0.364 119.751 120.200 -0.142 0.000 2.158 230 E HA -0.041 4.313 4.350 0.006 0.000 0.191 230 E C 1.604 178.175 176.600 -0.048 0.000 0.982 230 E CA 1.285 57.660 56.400 -0.041 0.000 0.823 230 E CB -0.157 29.552 29.700 0.014 0.000 0.766 230 E HN 0.196 nan 8.360 nan 0.000 0.468 231 V N -0.151 119.686 119.914 -0.128 0.000 2.346 231 V HA -0.144 3.980 4.120 0.006 0.000 0.244 231 V C 2.273 178.273 176.094 -0.157 0.000 1.037 231 V CA 1.648 63.904 62.300 -0.074 0.000 1.029 231 V CB -0.433 31.380 31.823 -0.017 0.000 0.663 231 V HN 0.354 nan 8.190 nan 0.000 0.454 232 S N -0.737 114.738 115.700 -0.376 0.000 2.462 232 S HA -0.242 4.231 4.470 0.006 0.000 0.243 232 S C 2.086 176.585 174.600 -0.169 0.000 1.003 232 S CA 1.653 59.647 58.200 -0.345 0.000 0.970 232 S CB -0.259 62.573 63.200 -0.614 0.000 0.762 232 S HN 0.451 nan 8.310 nan 0.000 0.510 233 K N 1.004 121.323 120.400 -0.136 0.000 2.005 233 K HA 0.093 4.417 4.320 0.006 0.000 0.206 233 K C 2.086 178.658 176.600 -0.047 0.000 1.044 233 K CA 1.110 57.348 56.287 -0.080 0.000 0.942 233 K CB -0.644 31.819 32.500 -0.062 0.000 0.727 233 K HN 0.432 nan 8.250 nan 0.000 0.439 234 L N 1.113 122.337 121.223 0.001 0.000 2.083 234 L HA -0.160 4.184 4.340 0.006 0.000 0.209 234 L C 2.554 179.470 176.870 0.077 0.000 1.083 234 L CA 0.691 55.566 54.840 0.058 0.000 0.752 234 L CB -0.533 41.606 42.059 0.135 0.000 0.899 234 L HN -0.066 nan 8.230 nan 0.000 0.433 235 V N 0.379 120.323 119.914 0.050 0.000 2.252 235 V HA -0.341 3.782 4.120 0.006 0.000 0.249 235 V C 2.811 178.975 176.094 0.117 0.000 1.056 235 V CA 2.644 64.986 62.300 0.070 0.000 1.022 235 V CB -1.053 30.776 31.823 0.009 0.000 0.641 235 V HN 0.705 nan 8.190 nan 0.000 0.445 236 T N -2.426 112.168 114.554 0.067 0.000 2.867 236 T HA -0.198 4.155 4.350 0.006 0.000 0.268 236 T C 1.480 176.227 174.700 0.078 0.000 1.057 236 T CA 1.640 63.786 62.100 0.078 0.000 1.136 236 T CB -0.491 68.395 68.868 0.031 0.000 0.874 236 T HN 0.433 nan 8.240 nan 0.000 0.466 237 D N 1.336 121.764 120.400 0.046 0.000 2.084 237 D HA -0.015 4.629 4.640 0.006 0.000 0.194 237 D C 1.939 178.295 176.300 0.094 0.000 0.990 237 D CA 0.796 54.814 54.000 0.030 0.000 0.826 237 D CB -0.630 40.158 40.800 -0.020 0.000 0.971 237 D HN 0.262 nan 8.370 nan 0.000 0.453 238 L N 0.583 121.905 121.223 0.165 0.000 2.079 238 L HA -0.153 4.190 4.340 0.006 0.000 0.210 238 L C 2.036 179.119 176.870 0.354 0.000 1.081 238 L CA 1.668 56.664 54.840 0.260 0.000 0.752 238 L CB -0.853 41.430 42.059 0.373 0.000 0.896 238 L HN 0.004 nan 8.230 nan 0.000 0.433 239 T N -0.257 114.521 114.554 0.374 0.000 2.595 239 T HA -0.290 4.063 4.350 0.006 0.000 0.264 239 T C 1.826 176.613 174.700 0.144 0.000 1.058 239 T CA 1.904 64.231 62.100 0.380 0.000 1.166 239 T CB -0.307 68.758 68.868 0.328 0.000 0.863 239 T HN 0.379 nan 8.240 nan 0.000 0.415 240 K N 0.784 121.238 120.400 0.090 0.000 2.077 240 K HA -0.203 4.120 4.320 0.006 0.000 0.213 240 K C 2.157 178.758 176.600 0.002 0.000 1.051 240 K CA 1.867 58.170 56.287 0.027 0.000 0.929 240 K CB -0.600 31.908 32.500 0.012 0.000 0.715 240 K HN 0.200 nan 8.250 nan 0.000 0.451 241 V N 1.350 121.266 119.914 0.004 0.000 2.214 241 V HA -0.297 3.827 4.120 0.006 0.000 0.247 241 V C 2.431 178.471 176.094 -0.090 0.000 1.051 241 V CA 2.249 64.516 62.300 -0.055 0.000 1.003 241 V CB -0.934 30.826 31.823 -0.105 0.000 0.635 241 V HN 0.474 nan 8.190 nan 0.000 0.447 242 H N 0.389 119.447 119.070 -0.020 0.000 2.457 242 H HA -0.111 4.448 4.556 0.006 0.000 0.297 242 H C 2.413 177.617 175.328 -0.208 0.000 1.092 242 H CA 1.942 57.895 56.048 -0.159 0.000 1.309 242 H CB -0.523 29.106 29.762 -0.221 0.000 1.382 242 H HN 0.526 nan 8.280 nan 0.000 0.535 243 T N 0.317 114.824 114.554 -0.078 0.000 2.821 243 T HA -0.098 4.256 4.350 0.006 0.000 0.267 243 T C 1.800 176.509 174.700 0.015 0.000 1.046 243 T CA 1.084 63.141 62.100 -0.072 0.000 1.139 243 T CB 0.018 68.855 68.868 -0.052 0.000 0.871 243 T HN 0.492 nan 8.240 nan 0.000 0.454 244 E N -0.308 119.892 120.200 0.001 0.000 2.299 244 E HA 0.055 4.409 4.350 0.006 0.000 0.193 244 E C 2.033 178.653 176.600 0.035 0.000 0.998 244 E CA 0.139 56.545 56.400 0.010 0.000 0.851 244 E CB -0.085 29.589 29.700 -0.044 0.000 0.795 244 E HN 0.394 nan 8.360 nan 0.000 0.492 245 c N -0.126 118.493 118.600 0.031 0.000 2.464 245 c HA -0.040 4.534 4.570 0.006 0.000 0.278 245 c C 2.581 176.717 174.090 0.076 0.000 1.375 245 c CA 0.157 56.522 56.329 0.059 0.000 1.761 245 c CB -0.576 41.979 42.510 0.075 0.000 1.944 245 c HN 0.603 nan 8.230 nan 0.000 0.509 246 c N -1.791 116.851 118.600 0.069 0.000 2.492 246 c HA -0.029 4.545 4.570 0.006 0.000 0.279 246 c C 2.579 176.725 174.090 0.092 0.000 1.335 246 c CA 0.512 56.901 56.329 0.100 0.000 1.734 246 c CB -1.576 40.945 42.510 0.019 0.000 2.027 246 c HN 0.674 nan 8.230 nan 0.000 0.496 247 H N 0.559 119.633 119.070 0.005 0.000 2.546 247 H HA 0.059 4.618 4.556 0.006 0.000 0.277 247 H C 1.925 177.263 175.328 0.016 0.000 1.004 247 H CA 1.331 57.386 56.048 0.011 0.000 1.231 247 H CB -0.199 29.577 29.762 0.022 0.000 1.382 247 H HN 0.588 nan 8.280 nan 0.000 0.580 248 G N 0.791 109.673 108.800 0.135 0.000 2.194 248 G HA2 -0.214 3.749 3.960 0.006 0.000 0.236 248 G HA3 -0.214 3.749 3.960 0.006 0.000 0.236 248 G C -0.041 174.862 174.900 0.005 0.000 0.987 248 G CA 0.204 45.344 45.100 0.067 0.000 0.635 248 G HN 0.419 nan 8.290 nan 0.000 0.520 249 D N 1.667 122.084 120.400 0.029 0.000 2.597 249 D HA 0.301 4.944 4.640 0.006 0.000 0.228 249 D C 2.056 178.300 176.300 -0.092 0.000 1.120 249 D CA -0.055 53.888 54.000 -0.095 0.000 1.083 249 D CB 0.031 40.749 40.800 -0.136 0.000 1.116 249 D HN 0.389 nan 8.370 nan 0.000 0.487 250 L N 0.229 121.380 121.223 -0.120 0.000 1.988 250 L HA -0.177 4.167 4.340 0.006 0.000 0.207 250 L C 2.432 179.257 176.870 -0.075 0.000 1.071 250 L CA 0.848 55.639 54.840 -0.080 0.000 0.744 250 L CB -0.416 41.580 42.059 -0.105 0.000 0.893 250 L HN 0.300 nan 8.230 nan 0.000 0.433 251 L N 0.095 121.251 121.223 -0.113 0.000 1.997 251 L HA -0.243 4.100 4.340 0.006 0.000 0.216 251 L C 2.832 179.684 176.870 -0.031 0.000 1.074 251 L CA 1.783 56.582 54.840 -0.069 0.000 0.763 251 L CB -1.029 40.996 42.059 -0.057 0.000 0.890 251 L HN 0.470 nan 8.230 nan 0.000 0.434 252 E N -0.057 120.109 120.200 -0.057 0.000 2.208 252 E HA -0.223 4.130 4.350 0.006 0.000 0.193 252 E C 2.346 178.927 176.600 -0.032 0.000 0.988 252 E CA 1.451 57.820 56.400 -0.051 0.000 0.828 252 E CB -1.032 28.609 29.700 -0.097 0.000 0.763 252 E HN 0.567 nan 8.360 nan 0.000 0.478 253 c N 1.528 120.112 118.600 -0.027 0.000 2.429 253 c HA 0.067 4.641 4.570 0.006 0.000 0.277 253 c C 3.025 177.133 174.090 0.031 0.000 1.262 253 c CA 1.523 57.855 56.329 0.005 0.000 1.733 253 c CB -1.056 41.472 42.510 0.031 0.000 2.010 253 c HN 0.563 nan 8.230 nan 0.000 0.483 254 A N -0.448 122.386 122.820 0.023 0.000 1.929 254 A HA -0.099 4.225 4.320 0.006 0.000 0.216 254 A C 1.908 179.506 177.584 0.022 0.000 1.176 254 A CA 1.993 54.042 52.037 0.021 0.000 0.628 254 A CB -0.864 18.140 19.000 0.006 0.000 0.816 254 A HN 0.647 nan 8.150 nan 0.000 0.444 255 D N 0.085 120.500 120.400 0.024 0.000 2.144 255 D HA -0.140 4.504 4.640 0.006 0.000 0.199 255 D C 1.267 177.587 176.300 0.034 0.000 0.984 255 D CA 1.457 55.481 54.000 0.040 0.000 0.834 255 D CB -0.089 40.743 40.800 0.053 0.000 0.955 255 D HN 0.396 nan 8.370 nan 0.000 0.465 256 D N -0.625 119.786 120.400 0.018 0.000 2.162 256 D HA -0.081 4.562 4.640 0.006 0.000 0.203 256 D C 2.049 178.364 176.300 0.025 0.000 0.967 256 D CA 0.318 54.327 54.000 0.014 0.000 0.840 256 D CB -0.153 40.645 40.800 -0.003 0.000 0.972 256 D HN 0.233 nan 8.370 nan 0.000 0.482 257 R N 1.053 121.571 120.500 0.030 0.000 2.083 257 R HA -0.132 4.212 4.340 0.006 0.000 0.237 257 R C 2.153 178.475 176.300 0.037 0.000 1.137 257 R CA 1.642 57.766 56.100 0.040 0.000 0.951 257 R CB -0.147 30.178 30.300 0.043 0.000 0.851 257 R HN 0.064 nan 8.270 nan 0.000 0.434 258 A N 1.090 123.926 122.820 0.028 0.000 1.902 258 A HA -0.176 4.147 4.320 0.006 0.000 0.217 258 A C 1.694 179.304 177.584 0.043 0.000 1.181 258 A CA 1.806 53.860 52.037 0.028 0.000 0.623 258 A CB -0.558 18.457 19.000 0.025 0.000 0.818 258 A HN 0.412 nan 8.150 nan 0.000 0.443 259 D N -0.479 119.949 120.400 0.047 0.000 2.158 259 D HA -0.161 4.482 4.640 0.006 0.000 0.197 259 D C 1.772 178.120 176.300 0.080 0.000 0.995 259 D CA 1.374 55.408 54.000 0.056 0.000 0.846 259 D CB -0.288 40.537 40.800 0.041 0.000 0.941 259 D HN 0.377 nan 8.370 nan 0.000 0.456 260 L N 0.618 121.886 121.223 0.076 0.000 2.072 260 L HA 0.018 4.361 4.340 0.006 0.000 0.205 260 L C 2.149 179.101 176.870 0.137 0.000 1.079 260 L CA 1.547 56.457 54.840 0.117 0.000 0.752 260 L CB -0.778 41.339 42.059 0.097 0.000 0.906 260 L HN -0.041 nan 8.230 nan 0.000 0.436 261 A N -0.005 122.863 122.820 0.079 0.000 1.859 261 A HA -0.312 4.011 4.320 0.006 0.000 0.217 261 A C 2.265 179.871 177.584 0.038 0.000 1.198 261 A CA 2.440 54.504 52.037 0.045 0.000 0.629 261 A CB -0.664 18.348 19.000 0.020 0.000 0.830 261 A HN 0.521 nan 8.150 nan 0.000 0.446 262 K N -1.646 118.784 120.400 0.051 0.000 2.015 262 K HA -0.259 4.065 4.320 0.006 0.000 0.216 262 K C 2.049 178.677 176.600 0.047 0.000 1.052 262 K CA 2.099 58.412 56.287 0.043 0.000 0.937 262 K CB -0.644 31.891 32.500 0.058 0.000 0.719 262 K HN 0.617 nan 8.250 nan 0.000 0.446 263 Y N 1.823 122.114 120.300 -0.016 0.000 2.053 263 Y HA -0.238 4.317 4.550 0.007 0.000 0.277 263 Y C 1.951 177.826 175.900 -0.042 0.000 1.159 263 Y CA 1.678 59.765 58.100 -0.022 0.000 1.125 263 Y CB -0.308 38.144 38.460 -0.014 0.000 0.969 263 Y HN -0.019 nan 8.280 nan 0.000 0.492 264 I N -0.737 119.766 120.570 -0.113 0.000 2.454 264 I HA -0.335 3.839 4.170 0.006 0.000 0.254 264 I C 2.229 178.183 176.117 -0.272 0.000 1.156 264 I CA 1.064 62.205 61.300 -0.265 0.000 1.433 264 I CB -0.718 37.228 38.000 -0.090 0.000 1.082 264 I HN 0.361 nan 8.210 nan 0.000 0.432 265 c N 0.761 119.259 118.600 -0.170 0.000 2.472 265 c HA -0.035 4.538 4.570 0.006 0.000 0.278 265 c C 2.463 176.460 174.090 -0.155 0.000 1.447 265 c CA 0.441 56.688 56.329 -0.136 0.000 1.773 265 c CB -1.109 41.356 42.510 -0.075 0.000 1.793 265 c HN 0.504 nan 8.230 nan 0.000 0.544 266 E N 1.147 121.217 120.200 -0.217 0.000 2.030 266 E HA -0.053 4.300 4.350 0.006 0.000 0.189 266 E C 0.819 177.267 176.600 -0.254 0.000 0.974 266 E CA 0.729 57.005 56.400 -0.206 0.000 0.807 266 E CB -0.266 29.317 29.700 -0.194 0.000 0.771 266 E HN 0.506 nan 8.360 nan 0.000 0.451 267 N N 1.864 120.308 118.700 -0.426 0.000 2.482 267 N HA -0.049 4.695 4.740 0.006 0.000 0.220 267 N C 0.871 176.219 175.510 -0.270 0.000 1.255 267 N CA 0.117 52.955 53.050 -0.353 0.000 0.850 267 N CB 0.067 38.265 38.487 -0.481 0.000 1.127 267 N HN 0.167 nan 8.380 nan 0.000 0.475 268 Q N 0.094 119.761 119.800 -0.221 0.000 2.234 268 Q HA -0.182 4.162 4.340 0.006 0.000 0.206 268 Q C 0.256 176.173 176.000 -0.139 0.000 0.980 268 Q CA 1.273 56.968 55.803 -0.181 0.000 0.869 268 Q CB 0.278 28.937 28.738 -0.133 0.000 0.912 268 Q HN 0.496 nan 8.270 nan 0.000 0.436 269 D N -0.400 119.933 120.400 -0.112 0.000 2.146 269 D HA -0.081 4.563 4.640 0.006 0.000 0.209 269 D C 1.413 177.676 176.300 -0.061 0.000 0.973 269 D CA 1.248 55.204 54.000 -0.072 0.000 0.860 269 D CB -0.360 40.407 40.800 -0.055 0.000 1.015 269 D HN 0.181 nan 8.370 nan 0.000 0.465 270 S N -0.173 115.488 115.700 -0.065 0.000 3.048 270 S HA 0.114 4.588 4.470 0.006 0.000 0.254 270 S C 1.008 175.580 174.600 -0.046 0.000 1.084 270 S CA -0.075 58.103 58.200 -0.036 0.000 1.195 270 S CB -0.140 63.045 63.200 -0.026 0.000 0.870 270 S HN 0.111 nan 8.310 nan 0.000 0.483 271 I N -0.957 119.568 120.570 -0.076 0.000 4.881 271 I HA 0.358 4.532 4.170 0.006 0.000 0.319 271 I C -0.077 175.993 176.117 -0.079 0.000 1.205 271 I CA 0.452 61.681 61.300 -0.117 0.000 1.368 271 I CB 1.008 38.842 38.000 -0.278 0.000 1.484 271 I HN 0.344 nan 8.210 nan 0.000 0.486 272 S N -1.346 114.312 115.700 -0.070 0.000 2.708 272 S HA 0.181 4.655 4.470 0.006 0.000 0.274 272 S C -0.296 174.292 174.600 -0.020 0.000 0.927 272 S CA -0.021 58.179 58.200 -0.001 0.000 1.002 272 S CB 0.329 63.586 63.200 0.095 0.000 1.265 272 S HN 0.195 nan 8.310 nan 0.000 0.457 273 S N 0.074 115.780 115.700 0.010 0.000 2.561 273 S HA 0.329 4.803 4.470 0.006 0.000 0.245 273 S C 0.361 174.968 174.600 0.011 0.000 1.001 273 S CA -0.284 57.916 58.200 0.000 0.000 1.002 273 S CB -0.043 63.160 63.200 0.004 0.000 0.805 273 S HN 0.408 nan 8.310 nan 0.000 0.458 274 K N 0.813 121.229 120.400 0.025 0.000 2.402 274 K HA 0.384 4.707 4.320 0.006 0.000 0.204 274 K C 0.762 177.379 176.600 0.029 0.000 1.056 274 K CA -0.050 56.261 56.287 0.041 0.000 1.069 274 K CB 0.260 32.810 32.500 0.083 0.000 0.888 274 K HN 0.333 nan 8.250 nan 0.000 0.546 275 L N 1.006 122.225 121.223 -0.008 0.000 2.446 275 L HA -0.014 4.329 4.340 0.006 0.000 0.219 275 L C 1.650 178.504 176.870 -0.027 0.000 1.116 275 L CA 0.857 55.678 54.840 -0.031 0.000 0.844 275 L CB -0.948 41.055 42.059 -0.093 0.000 0.970 275 L HN 0.087 nan 8.230 nan 0.000 0.457 276 K N 1.540 121.927 120.400 -0.022 0.000 1.988 276 K HA -0.303 4.021 4.320 0.006 0.000 0.231 276 K C 1.737 178.330 176.600 -0.011 0.000 1.044 276 K CA 2.248 58.524 56.287 -0.018 0.000 1.013 276 K CB -0.996 31.498 32.500 -0.010 0.000 0.736 276 K HN 0.233 nan 8.250 nan 0.000 0.446 277 E N -0.271 119.928 120.200 -0.002 0.000 2.427 277 E HA -0.055 4.298 4.350 0.006 0.000 0.196 277 E C 1.075 177.678 176.600 0.005 0.000 1.028 277 E CA 0.703 57.106 56.400 0.004 0.000 0.864 277 E CB 0.023 29.729 29.700 0.011 0.000 0.813 277 E HN 0.492 nan 8.360 nan 0.000 0.514 278 c N -0.591 118.008 118.600 -0.002 0.000 2.512 278 c HA 0.038 4.612 4.570 0.006 0.000 0.276 278 c C 2.500 176.581 174.090 -0.014 0.000 1.368 278 c CA -0.205 56.120 56.329 -0.007 0.000 1.755 278 c CB -0.628 41.876 42.510 -0.011 0.000 2.008 278 c HN 0.623 nan 8.230 nan 0.000 0.511 279 c N 0.970 119.559 118.600 -0.019 0.000 2.468 279 c HA -0.036 4.537 4.570 0.006 0.000 0.277 279 c C 2.039 176.122 174.090 -0.011 0.000 1.400 279 c CA 0.663 56.979 56.329 -0.022 0.000 1.770 279 c CB -1.477 41.013 42.510 -0.033 0.000 1.905 279 c HN 0.631 nan 8.230 nan 0.000 0.519 280 E N 1.365 121.561 120.200 -0.005 0.000 2.463 280 E HA -0.009 4.345 4.350 0.006 0.000 0.191 280 E C 0.415 177.021 176.600 0.010 0.000 1.083 280 E CA 0.323 56.724 56.400 0.002 0.000 0.872 280 E CB 0.006 29.708 29.700 0.003 0.000 0.966 280 E HN 0.736 nan 8.360 nan 0.000 0.491 281 K N 0.230 120.636 120.400 0.010 0.000 2.375 281 K HA 0.468 4.792 4.320 0.006 0.000 0.249 281 K C -3.003 173.607 176.600 0.018 0.000 0.942 281 K CA -2.681 53.619 56.287 0.021 0.000 0.806 281 K CB 1.261 33.779 32.500 0.031 0.000 1.227 281 K HN -0.358 nan 8.250 nan 0.000 0.430 282 P HA -0.186 nan 4.420 nan 0.000 0.267 282 P C 0.880 178.190 177.300 0.016 0.000 1.158 282 P CA 0.026 63.145 63.100 0.031 0.000 0.756 282 P CB 0.272 32.004 31.700 0.053 0.000 0.766 283 L N 1.813 123.045 121.223 0.015 0.000 2.351 283 L HA -0.161 4.183 4.340 0.006 0.000 0.220 283 L C 1.826 178.694 176.870 -0.003 0.000 1.127 283 L CA 1.632 56.476 54.840 0.005 0.000 0.786 283 L CB -1.027 41.040 42.059 0.014 0.000 0.914 283 L HN 0.427 nan 8.230 nan 0.000 0.443 284 L N -0.330 120.902 121.223 0.015 0.000 1.982 284 L HA -0.123 4.221 4.340 0.006 0.000 0.206 284 L C 2.295 179.143 176.870 -0.037 0.000 1.078 284 L CA 1.419 56.274 54.840 0.024 0.000 0.749 284 L CB -1.510 40.601 42.059 0.087 0.000 0.894 284 L HN 0.263 nan 8.230 nan 0.000 0.436 285 E N -0.044 120.151 120.200 -0.009 0.000 2.401 285 E HA -0.217 4.137 4.350 0.006 0.000 0.199 285 E C 1.784 178.266 176.600 -0.195 0.000 1.023 285 E CA 0.493 56.789 56.400 -0.172 0.000 0.859 285 E CB 0.140 29.866 29.700 0.044 0.000 0.780 285 E HN 0.240 nan 8.360 nan 0.000 0.523 286 K N 0.719 121.059 120.400 -0.101 0.000 1.983 286 K HA -0.128 4.196 4.320 0.006 0.000 0.225 286 K C 2.074 178.615 176.600 -0.098 0.000 1.030 286 K CA 1.745 57.987 56.287 -0.074 0.000 1.027 286 K CB -0.561 31.917 32.500 -0.037 0.000 0.757 286 K HN -0.125 nan 8.250 nan 0.000 0.444 287 S N -0.207 115.444 115.700 -0.080 0.000 2.407 287 S HA -0.340 4.133 4.470 0.006 0.000 0.244 287 S C 1.768 176.307 174.600 -0.103 0.000 1.077 287 S CA 2.072 60.231 58.200 -0.067 0.000 1.159 287 S CB -0.991 62.164 63.200 -0.076 0.000 1.045 287 S HN 0.572 nan 8.310 nan 0.000 0.438 288 H N 0.956 119.835 119.070 -0.318 0.000 2.371 288 H HA -0.228 4.331 4.556 0.006 0.000 0.292 288 H C 2.614 177.800 175.328 -0.236 0.000 1.066 288 H CA 2.378 58.189 56.048 -0.396 0.000 1.153 288 H CB -1.225 27.973 29.762 -0.941 0.000 1.375 288 H HN 0.473 nan 8.280 nan 0.000 0.558 289 c N 0.861 119.186 118.600 -0.458 0.000 2.318 289 c HA -0.253 4.320 4.570 0.006 0.000 0.272 289 c C 2.940 176.923 174.090 -0.180 0.000 1.156 289 c CA 1.934 58.069 56.329 -0.324 0.000 1.783 289 c CB -1.649 40.790 42.510 -0.119 0.000 2.023 289 c HN 0.726 nan 8.230 nan 0.000 0.437 290 I N 2.034 122.556 120.570 -0.079 0.000 2.182 290 I HA -0.265 3.909 4.170 0.006 0.000 0.248 290 I C 2.837 179.030 176.117 0.126 0.000 1.073 290 I CA 2.536 63.861 61.300 0.041 0.000 1.335 290 I CB -2.173 35.855 38.000 0.046 0.000 1.031 290 I HN 0.593 nan 8.210 nan 0.000 0.420 291 A N -0.062 122.789 122.820 0.052 0.000 1.975 291 A HA -0.041 4.282 4.320 0.006 0.000 0.215 291 A C 1.779 179.363 177.584 0.000 0.000 1.170 291 A CA 0.650 52.741 52.037 0.090 0.000 0.656 291 A CB -0.201 18.895 19.000 0.160 0.000 0.821 291 A HN 0.379 nan 8.150 nan 0.000 0.449 292 E N 0.697 120.839 120.200 -0.098 0.000 2.394 292 E HA 0.143 4.496 4.350 0.006 0.000 0.191 292 E C 0.714 177.272 176.600 -0.070 0.000 1.044 292 E CA 0.082 56.423 56.400 -0.098 0.000 0.939 292 E CB -0.402 29.181 29.700 -0.195 0.000 1.089 292 E HN 0.551 nan 8.360 nan 0.000 0.456 293 V N -0.889 119.003 119.914 -0.037 0.000 3.698 293 V HA 0.206 4.330 4.120 0.006 0.000 0.280 293 V C 0.542 176.631 176.094 -0.008 0.000 0.995 293 V CA -0.896 61.405 62.300 0.003 0.000 1.000 293 V CB 0.552 32.425 31.823 0.083 0.000 1.248 293 V HN 0.008 nan 8.190 nan 0.000 0.429 294 E N 0.857 121.066 120.200 0.015 0.000 2.313 294 E HA 0.272 4.625 4.350 0.006 0.000 0.272 294 E C -0.298 176.301 176.600 -0.002 0.000 1.038 294 E CA -0.504 55.898 56.400 0.003 0.000 0.863 294 E CB 0.591 30.300 29.700 0.015 0.000 1.060 294 E HN 0.749 nan 8.360 nan 0.000 0.402 295 N N 2.806 121.487 118.700 -0.032 0.000 2.453 295 N HA 0.103 4.846 4.740 0.006 0.000 0.253 295 N C -0.696 174.821 175.510 0.011 0.000 1.252 295 N CA -0.066 52.959 53.050 -0.042 0.000 0.917 295 N CB 0.385 38.837 38.487 -0.058 0.000 1.117 295 N HN 0.554 nan 8.380 nan 0.000 0.442 296 D N -0.050 120.372 120.400 0.037 0.000 2.387 296 D HA 0.226 4.870 4.640 0.006 0.000 0.255 296 D C -0.409 175.901 176.300 0.017 0.000 1.081 296 D CA -0.351 53.678 54.000 0.049 0.000 0.994 296 D CB 0.832 41.688 40.800 0.092 0.000 1.127 296 D HN 0.235 nan 8.370 nan 0.000 0.513 297 E N 0.421 120.628 120.200 0.012 0.000 2.398 297 E HA 0.175 4.529 4.350 0.006 0.000 0.263 297 E C -0.051 176.541 176.600 -0.013 0.000 1.046 297 E CA -0.054 56.343 56.400 -0.005 0.000 0.908 297 E CB 0.362 30.060 29.700 -0.004 0.000 0.963 297 E HN 0.290 nan 8.360 nan 0.000 0.431 298 M N 2.918 122.497 119.600 -0.035 0.000 2.131 298 M HA 0.162 4.646 4.480 0.006 0.000 0.283 298 M C -1.914 174.364 176.300 -0.036 0.000 1.225 298 M CA -1.169 54.098 55.300 -0.055 0.000 1.153 298 M CB -0.512 32.037 32.600 -0.086 0.000 1.380 298 M HN 0.343 nan 8.290 nan 0.000 0.458 299 P HA 0.235 nan 4.420 nan 0.000 0.274 299 P C -0.526 176.756 177.300 -0.029 0.000 1.231 299 P CA -0.207 62.879 63.100 -0.024 0.000 0.790 299 P CB 0.507 32.194 31.700 -0.023 0.000 0.951 300 A N 2.094 124.904 122.820 -0.017 0.000 1.824 300 A HA -0.079 4.245 4.320 0.006 0.000 0.215 300 A C 0.382 177.951 177.584 -0.025 0.000 1.209 300 A CA 1.401 53.427 52.037 -0.019 0.000 0.614 300 A CB -1.240 17.754 19.000 -0.011 0.000 0.852 300 A HN 0.554 nan 8.150 nan 0.000 0.447 301 D N -0.354 120.034 120.400 -0.020 0.000 2.308 301 D HA 0.534 5.177 4.640 0.006 0.000 0.251 301 D C -0.817 175.466 176.300 -0.029 0.000 1.127 301 D CA 0.357 54.343 54.000 -0.023 0.000 0.876 301 D CB 1.123 41.913 40.800 -0.016 0.000 1.176 301 D HN 0.203 nan 8.370 nan 0.000 0.446 302 L N 3.771 124.969 121.223 -0.041 0.000 2.343 302 L HA 0.273 4.617 4.340 0.006 0.000 0.278 302 L C -1.554 175.288 176.870 -0.047 0.000 0.996 302 L CA -1.696 53.113 54.840 -0.052 0.000 0.831 302 L CB 2.289 44.299 42.059 -0.081 0.000 1.232 302 L HN 0.176 nan 8.230 nan 0.000 0.413 303 P HA -0.144 nan 4.420 nan 0.000 0.231 303 P C 0.833 178.110 177.300 -0.039 0.000 1.154 303 P CA 0.581 63.662 63.100 -0.032 0.000 0.762 303 P CB -0.044 31.645 31.700 -0.018 0.000 0.790 304 S N -2.155 113.512 115.700 -0.055 0.000 3.427 304 S HA -0.288 4.186 4.470 0.006 0.000 0.373 304 S C 0.834 175.397 174.600 -0.063 0.000 0.973 304 S CA 0.738 58.892 58.200 -0.078 0.000 1.218 304 S CB -2.749 60.399 63.200 -0.087 0.000 0.912 304 S HN 0.231 nan 8.310 nan 0.000 0.483 305 L N -1.605 119.632 121.223 0.024 0.000 5.649 305 L HA -0.293 4.050 4.340 0.006 0.000 0.053 305 L C 2.084 178.964 176.870 0.016 0.000 2.365 305 L CA 1.678 56.611 54.840 0.156 0.000 1.747 305 L CB -2.162 40.014 42.059 0.195 0.000 2.675 305 L HN 1.797 nan 8.230 nan 0.000 0.926 306 A N -0.814 121.957 122.820 -0.082 0.000 5.023 306 A HA -0.400 3.923 4.320 0.006 0.000 0.346 306 A C 1.818 179.371 177.584 -0.052 0.000 1.724 306 A CA 3.811 55.741 52.037 -0.178 0.000 0.700 306 A CB -2.239 16.633 19.000 -0.214 0.000 1.464 306 A HN 2.215 nan 8.150 nan 0.000 0.404 307 A N -1.083 121.698 122.820 -0.065 0.000 2.032 307 A HA -0.101 4.223 4.320 0.006 0.000 0.221 307 A C 1.420 178.954 177.584 -0.083 0.000 1.165 307 A CA 2.677 54.683 52.037 -0.052 0.000 0.645 307 A CB -0.927 18.040 19.000 -0.054 0.000 0.807 307 A HN 0.817 nan 8.150 nan 0.000 0.453 308 D N -2.260 118.054 120.400 -0.143 0.000 2.289 308 D HA 0.102 4.746 4.640 0.006 0.000 0.207 308 D C 0.841 176.794 176.300 -0.579 0.000 0.966 308 D CA 0.956 54.727 54.000 -0.382 0.000 0.868 308 D CB -0.053 40.445 40.800 -0.502 0.000 0.943 308 D HN 0.585 nan 8.370 nan 0.000 0.514 309 F N -1.521 118.435 119.950 0.009 0.000 2.871 309 F HA 0.249 4.779 4.527 0.006 0.000 0.344 309 F C 1.414 177.215 175.800 0.003 0.000 1.078 309 F CA -0.195 57.776 58.000 -0.049 0.000 1.149 309 F CB 1.218 40.021 39.000 -0.328 0.000 1.087 309 F HN -0.173 nan 8.300 nan 0.000 0.557 310 V N -1.149 118.879 119.914 0.189 0.000 3.305 310 V HA 0.131 4.255 4.120 0.006 0.000 0.247 310 V C 1.378 177.575 176.094 0.171 0.000 1.426 310 V CA 0.827 63.242 62.300 0.191 0.000 1.162 310 V CB 0.615 32.639 31.823 0.334 0.000 0.961 310 V HN 0.132 nan 8.190 nan 0.000 0.449 311 E N 0.385 120.648 120.200 0.105 0.000 2.102 311 E HA 0.050 4.403 4.350 0.006 0.000 0.190 311 E C 1.100 177.775 176.600 0.124 0.000 0.971 311 E CA 0.732 57.189 56.400 0.094 0.000 0.821 311 E CB 0.009 29.726 29.700 0.028 0.000 0.777 311 E HN 0.407 nan 8.360 nan 0.000 0.460 312 S N 2.206 117.957 115.700 0.085 0.000 2.946 312 S HA -0.080 4.393 4.470 0.006 0.000 0.349 312 S C 1.282 175.970 174.600 0.147 0.000 1.189 312 S CA -0.248 57.999 58.200 0.078 0.000 1.285 312 S CB 0.095 63.307 63.200 0.021 0.000 1.010 312 S HN 0.137 nan 8.310 nan 0.000 0.538 313 K N 3.957 124.461 120.400 0.173 0.000 2.074 313 K HA -0.166 4.158 4.320 0.006 0.000 0.209 313 K C 0.525 177.213 176.600 0.146 0.000 1.048 313 K CA 1.414 57.837 56.287 0.227 0.000 0.926 313 K CB -0.877 31.718 32.500 0.158 0.000 0.713 313 K HN 0.765 nan 8.250 nan 0.000 0.444 314 D N 2.152 122.599 120.400 0.078 0.000 3.085 314 D HA 0.086 4.729 4.640 0.006 0.000 0.243 314 D C 1.155 177.492 176.300 0.061 0.000 1.232 314 D CA -0.313 53.718 54.000 0.051 0.000 0.913 314 D CB 0.064 40.870 40.800 0.009 0.000 1.108 314 D HN -0.142 nan 8.370 nan 0.000 0.468 315 V N 0.315 120.304 119.914 0.124 0.000 2.219 315 V HA -0.390 3.734 4.120 0.006 0.000 0.248 315 V C 2.537 178.693 176.094 0.104 0.000 1.053 315 V CA 1.957 64.322 62.300 0.108 0.000 1.009 315 V CB -0.702 31.172 31.823 0.086 0.000 0.636 315 V HN 0.555 nan 8.190 nan 0.000 0.445 316 c N -0.121 118.573 118.600 0.157 0.000 2.403 316 c HA -0.185 4.389 4.570 0.006 0.000 0.282 316 c C 2.740 176.901 174.090 0.117 0.000 1.297 316 c CA 0.933 57.387 56.329 0.208 0.000 1.785 316 c CB -1.212 41.412 42.510 0.191 0.000 1.963 316 c HN 0.542 nan 8.230 nan 0.000 0.507 317 K N 1.331 121.757 120.400 0.044 0.000 2.113 317 K HA -0.182 4.141 4.320 0.006 0.000 0.208 317 K C 1.506 178.065 176.600 -0.067 0.000 1.047 317 K CA 1.520 57.802 56.287 -0.009 0.000 0.928 317 K CB -0.485 32.002 32.500 -0.023 0.000 0.716 317 K HN 0.522 nan 8.250 nan 0.000 0.446 318 N N -0.655 117.949 118.700 -0.160 0.000 2.230 318 N HA -0.055 4.689 4.740 0.006 0.000 0.202 318 N C 0.804 176.064 175.510 -0.418 0.000 1.119 318 N CA -0.010 52.818 53.050 -0.371 0.000 0.851 318 N CB 0.365 38.477 38.487 -0.624 0.000 0.990 318 N HN 0.169 nan 8.380 nan 0.000 0.497 319 Y N 0.771 120.964 120.300 -0.178 0.000 2.453 319 Y HA 0.374 4.928 4.550 0.007 0.000 0.273 319 Y C 2.151 178.131 175.900 0.133 0.000 1.130 319 Y CA 1.178 59.372 58.100 0.157 0.000 1.271 319 Y CB -0.650 37.987 38.460 0.295 0.000 1.253 319 Y HN -0.018 nan 8.280 nan 0.000 0.512 320 A N 0.178 123.013 122.820 0.025 0.000 2.131 320 A HA -0.174 4.150 4.320 0.006 0.000 0.220 320 A C 1.918 179.461 177.584 -0.069 0.000 1.158 320 A CA 1.896 53.887 52.037 -0.077 0.000 0.665 320 A CB -0.654 18.368 19.000 0.037 0.000 0.795 320 A HN 0.606 nan 8.150 nan 0.000 0.460 321 E N -1.231 118.945 120.200 -0.041 0.000 2.481 321 E HA 0.350 4.704 4.350 0.006 0.000 0.198 321 E C 0.968 177.556 176.600 -0.021 0.000 1.027 321 E CA 0.785 57.167 56.400 -0.029 0.000 0.900 321 E CB 0.225 29.910 29.700 -0.025 0.000 0.993 321 E HN 0.478 nan 8.360 nan 0.000 0.482 322 A N 0.447 123.256 122.820 -0.018 0.000 1.803 322 A HA 0.231 4.555 4.320 0.006 0.000 0.202 322 A C 1.002 178.625 177.584 0.065 0.000 1.802 322 A CA 0.553 52.625 52.037 0.058 0.000 1.096 322 A CB 0.494 19.567 19.000 0.122 0.000 1.046 322 A HN 0.043 nan 8.150 nan 0.000 0.568 323 K N -0.308 120.108 120.400 0.028 0.000 10.479 323 K HA -0.199 4.124 4.320 0.006 0.000 0.489 323 K C -0.458 176.250 176.600 0.179 0.000 0.452 323 K CA 2.196 58.437 56.287 -0.077 0.000 1.755 323 K CB -2.213 30.175 32.500 -0.186 0.000 0.798 323 K HN 0.571 nan 8.250 nan 0.000 1.199 324 D N 1.066 121.548 120.400 0.136 0.000 2.360 324 D HA 0.311 4.954 4.640 0.006 0.000 0.242 324 D C 1.740 178.187 176.300 0.246 0.000 1.184 324 D CA 0.885 54.990 54.000 0.175 0.000 0.930 324 D CB 0.689 41.566 40.800 0.127 0.000 1.161 324 D HN 0.239 nan 8.370 nan 0.000 0.447 325 V N -0.408 119.673 119.914 0.278 0.000 0.449 325 V HA -0.396 3.728 4.120 0.006 0.000 0.092 325 V C 1.592 177.943 176.094 0.428 0.000 2.531 325 V CA 2.195 64.723 62.300 0.380 0.000 3.708 325 V CB -1.776 30.235 31.823 0.314 0.000 0.981 325 V HN 0.687 nan 8.190 nan 0.000 1.031 326 F N 0.376 120.459 119.950 0.223 0.000 2.075 326 F HA -0.113 4.417 4.527 0.005 0.000 0.297 326 F C 2.177 178.183 175.800 0.342 0.000 1.113 326 F CA 2.356 60.502 58.000 0.243 0.000 1.218 326 F CB -0.062 39.093 39.000 0.259 0.000 0.984 326 F HN 0.235 nan 8.300 nan 0.000 0.472 327 L N 0.471 121.761 121.223 0.111 0.000 2.187 327 L HA -0.180 4.164 4.340 0.006 0.000 0.213 327 L C 2.697 179.674 176.870 0.178 0.000 1.100 327 L CA 1.195 56.085 54.840 0.083 0.000 0.765 327 L CB -1.131 41.037 42.059 0.181 0.000 0.904 327 L HN 0.392 nan 8.230 nan 0.000 0.437 328 G N -0.625 108.343 108.800 0.281 0.000 2.422 328 G HA2 -0.243 3.721 3.960 0.006 0.000 0.218 328 G HA3 -0.243 3.721 3.960 0.006 0.000 0.218 328 G C 1.592 176.845 174.900 0.587 0.000 1.140 328 G CA 0.542 45.883 45.100 0.402 0.000 0.775 328 G HN 0.228 nan 8.290 nan 0.000 0.545 329 M N -0.404 119.416 119.600 0.367 0.000 2.099 329 M HA 0.066 4.549 4.480 0.006 0.000 0.262 329 M C 2.346 178.883 176.300 0.395 0.000 1.067 329 M CA 1.212 56.635 55.300 0.206 0.000 1.124 329 M CB -0.579 32.064 32.600 0.072 0.000 1.353 329 M HN 0.280 nan 8.290 nan 0.000 0.410 330 F N 1.133 121.031 119.950 -0.085 0.000 2.091 330 F HA -0.325 4.205 4.527 0.006 0.000 0.299 330 F C 2.157 177.803 175.800 -0.256 0.000 1.103 330 F CA 1.074 58.647 58.000 -0.712 0.000 1.228 330 F CB 0.035 38.480 39.000 -0.926 0.000 0.984 330 F HN 0.007 nan 8.300 nan 0.000 0.477 331 L N 0.155 121.267 121.223 -0.185 0.000 1.961 331 L HA -0.246 4.098 4.340 0.006 0.000 0.210 331 L C 2.295 179.169 176.870 0.008 0.000 1.072 331 L CA 2.174 56.890 54.840 -0.208 0.000 0.749 331 L CB -1.461 40.546 42.059 -0.087 0.000 0.889 331 L HN 0.398 nan 8.230 nan 0.000 0.432 332 Y N 0.503 120.863 120.300 0.100 0.000 2.062 332 Y HA -0.345 4.208 4.550 0.006 0.000 0.276 332 Y C 2.384 178.368 175.900 0.141 0.000 1.189 332 Y CA 2.360 60.564 58.100 0.173 0.000 1.130 332 Y CB -0.392 38.338 38.460 0.449 0.000 0.959 332 Y HN 0.326 nan 8.280 nan 0.000 0.499 333 E N -0.660 119.499 120.200 -0.069 0.000 2.031 333 E HA -0.245 4.109 4.350 0.006 0.000 0.193 333 E C 2.149 178.666 176.600 -0.139 0.000 0.994 333 E CA 1.706 58.003 56.400 -0.172 0.000 0.800 333 E CB -1.104 28.713 29.700 0.195 0.000 0.752 333 E HN 0.631 nan 8.360 nan 0.000 0.447 334 Y N 1.241 121.436 120.300 -0.175 0.000 2.114 334 Y HA -0.202 4.351 4.550 0.006 0.000 0.284 334 Y C 2.435 178.278 175.900 -0.095 0.000 1.143 334 Y CA 1.585 59.598 58.100 -0.146 0.000 1.135 334 Y CB -0.628 37.612 38.460 -0.367 0.000 0.980 334 Y HN 0.036 nan 8.280 nan 0.000 0.499 335 A N 0.966 123.826 122.820 0.067 0.000 1.877 335 A HA -0.244 4.080 4.320 0.006 0.000 0.216 335 A C 2.304 179.854 177.584 -0.056 0.000 1.186 335 A CA 2.132 54.174 52.037 0.008 0.000 0.620 335 A CB -0.866 18.091 19.000 -0.071 0.000 0.822 335 A HN 0.609 nan 8.150 nan 0.000 0.443 336 R N 0.446 120.855 120.500 -0.152 0.000 2.127 336 R HA -0.167 4.177 4.340 0.006 0.000 0.238 336 R C 1.323 177.505 176.300 -0.197 0.000 1.134 336 R CA 1.649 57.634 56.100 -0.191 0.000 0.975 336 R CB -0.471 29.632 30.300 -0.329 0.000 0.865 336 R HN 0.621 nan 8.270 nan 0.000 0.447 337 R N 0.108 120.446 120.500 -0.270 0.000 2.893 337 R HA 0.197 4.541 4.340 0.006 0.000 0.317 337 R C -0.672 175.197 176.300 -0.718 0.000 1.239 337 R CA -0.316 55.528 56.100 -0.426 0.000 1.128 337 R CB 0.147 30.154 30.300 -0.488 0.000 1.377 337 R HN 0.295 nan 8.270 nan 0.000 0.583 338 H N 0.112 119.095 119.070 -0.145 0.000 2.803 338 H HA 0.176 4.736 4.556 0.006 0.000 0.219 338 H C -2.428 172.887 175.328 -0.022 0.000 1.379 338 H CA -1.576 54.401 56.048 -0.118 0.000 1.415 338 H CB 1.572 31.170 29.762 -0.272 0.000 1.943 338 H HN 0.129 nan 8.280 nan 0.000 0.569 339 P HA -0.086 nan 4.420 nan 0.000 0.239 339 P C 1.217 178.569 177.300 0.088 0.000 1.184 339 P CA 1.020 64.142 63.100 0.037 0.000 0.760 339 P CB 0.330 32.029 31.700 -0.001 0.000 0.884 340 D N -2.932 117.569 120.400 0.168 0.000 2.338 340 D HA -0.070 4.573 4.640 0.006 0.000 0.208 340 D C 0.440 176.882 176.300 0.237 0.000 0.997 340 D CA 0.103 54.216 54.000 0.189 0.000 0.880 340 D CB -0.595 40.333 40.800 0.214 0.000 0.980 340 D HN 0.073 nan 8.370 nan 0.000 0.509 341 Y N 2.653 122.981 120.300 0.047 0.000 2.397 341 Y HA 0.183 4.736 4.550 0.006 0.000 0.335 341 Y C 1.301 177.178 175.900 -0.039 0.000 1.213 341 Y CA -1.173 56.913 58.100 -0.022 0.000 1.391 341 Y CB 0.988 39.404 38.460 -0.073 0.000 1.293 341 Y HN -0.074 nan 8.280 nan 0.000 0.557 342 S N 0.659 116.340 115.700 -0.032 0.000 2.584 342 S HA 0.230 4.703 4.470 0.006 0.000 0.273 342 S C 0.804 175.383 174.600 -0.034 0.000 1.311 342 S CA -0.788 57.389 58.200 -0.039 0.000 1.034 342 S CB 1.180 64.331 63.200 -0.081 0.000 0.939 342 S HN 0.448 nan 8.310 nan 0.000 0.513 343 V N 2.739 122.632 119.914 -0.034 0.000 2.407 343 V HA -0.141 3.983 4.120 0.006 0.000 0.248 343 V C 2.387 178.446 176.094 -0.059 0.000 1.055 343 V CA 1.653 63.915 62.300 -0.063 0.000 1.049 343 V CB -0.965 30.819 31.823 -0.066 0.000 0.662 343 V HN 0.840 nan 8.190 nan 0.000 0.455 344 V N -0.319 119.569 119.914 -0.043 0.000 2.626 344 V HA -0.181 3.943 4.120 0.006 0.000 0.252 344 V C 2.285 178.310 176.094 -0.115 0.000 1.067 344 V CA 1.563 63.825 62.300 -0.064 0.000 1.081 344 V CB -0.530 31.262 31.823 -0.052 0.000 0.686 344 V HN 0.484 nan 8.190 nan 0.000 0.468 345 L N -0.240 120.901 121.223 -0.135 0.000 2.072 345 L HA -0.037 4.306 4.340 0.006 0.000 0.205 345 L C 2.164 178.904 176.870 -0.215 0.000 1.079 345 L CA 1.746 56.469 54.840 -0.194 0.000 0.752 345 L CB -0.528 41.365 42.059 -0.276 0.000 0.906 345 L HN 0.182 nan 8.230 nan 0.000 0.436 346 L N -1.219 119.902 121.223 -0.169 0.000 2.127 346 L HA -0.239 4.104 4.340 0.006 0.000 0.211 346 L C 2.386 179.046 176.870 -0.351 0.000 1.089 346 L CA 1.204 55.874 54.840 -0.283 0.000 0.757 346 L CB -0.464 41.468 42.059 -0.211 0.000 0.899 346 L HN 0.300 nan 8.230 nan 0.000 0.434 347 L N -1.317 119.763 121.223 -0.239 0.000 2.095 347 L HA -0.103 4.240 4.340 0.006 0.000 0.204 347 L C 2.755 179.498 176.870 -0.211 0.000 1.080 347 L CA 0.848 55.566 54.840 -0.203 0.000 0.759 347 L CB -0.468 41.514 42.059 -0.128 0.000 0.914 347 L HN 0.116 nan 8.230 nan 0.000 0.439 348 R N 0.206 120.579 120.500 -0.211 0.000 2.103 348 R HA -0.179 4.164 4.340 0.006 0.000 0.242 348 R C 2.276 178.401 176.300 -0.292 0.000 1.142 348 R CA 1.397 57.371 56.100 -0.210 0.000 0.960 348 R CB -0.524 29.660 30.300 -0.194 0.000 0.858 348 R HN 0.347 nan 8.270 nan 0.000 0.439 349 L N -0.202 120.757 121.223 -0.439 0.000 2.005 349 L HA -0.152 4.192 4.340 0.006 0.000 0.207 349 L C 2.714 179.306 176.870 -0.464 0.000 1.072 349 L CA 1.332 55.748 54.840 -0.706 0.000 0.744 349 L CB -0.637 40.807 42.059 -1.025 0.000 0.895 349 L HN 0.248 nan 8.230 nan 0.000 0.433 350 A N 0.012 122.598 122.820 -0.390 0.000 1.933 350 A HA -0.241 4.083 4.320 0.006 0.000 0.218 350 A C 2.256 179.843 177.584 0.005 0.000 1.175 350 A CA 1.857 53.790 52.037 -0.174 0.000 0.628 350 A CB -0.377 18.465 19.000 -0.263 0.000 0.814 350 A HN 0.209 nan 8.150 nan 0.000 0.444 351 K N -0.262 120.096 120.400 -0.069 0.000 2.362 351 K HA -0.023 4.300 4.320 0.006 0.000 0.200 351 K C 1.716 178.304 176.600 -0.020 0.000 1.046 351 K CA 1.842 58.112 56.287 -0.028 0.000 0.952 351 K CB -0.628 31.839 32.500 -0.055 0.000 0.753 351 K HN 0.426 nan 8.250 nan 0.000 0.466 352 T N -0.488 114.036 114.554 -0.051 0.000 2.809 352 T HA -0.083 4.270 4.350 0.006 0.000 0.260 352 T C 1.230 175.977 174.700 0.078 0.000 1.039 352 T CA 1.088 63.175 62.100 -0.021 0.000 1.141 352 T CB -0.517 68.284 68.868 -0.112 0.000 0.869 352 T HN 0.257 nan 8.240 nan 0.000 0.437 353 Y N 2.098 122.406 120.300 0.013 0.000 2.128 353 Y HA -0.145 4.408 4.550 0.006 0.000 0.284 353 Y C 2.479 178.347 175.900 -0.053 0.000 1.154 353 Y CA 1.719 59.829 58.100 0.016 0.000 1.149 353 Y CB -0.275 38.270 38.460 0.142 0.000 0.976 353 Y HN 0.261 nan 8.280 nan 0.000 0.505 354 E N -1.324 118.871 120.200 -0.009 0.000 2.110 354 E HA -0.220 4.134 4.350 0.006 0.000 0.193 354 E C 2.000 178.565 176.600 -0.058 0.000 0.988 354 E CA 1.531 57.902 56.400 -0.049 0.000 0.804 354 E CB -0.282 29.471 29.700 0.088 0.000 0.745 354 E HN 0.398 nan 8.360 nan 0.000 0.458 355 T N -0.916 113.619 114.554 -0.032 0.000 3.072 355 T HA -0.035 4.318 4.350 0.006 0.000 0.266 355 T C 1.460 176.138 174.700 -0.036 0.000 1.127 355 T CA 1.410 63.501 62.100 -0.015 0.000 1.107 355 T CB -0.016 68.851 68.868 -0.001 0.000 0.910 355 T HN 0.164 nan 8.240 nan 0.000 0.513 356 T N 1.123 115.617 114.554 -0.100 0.000 2.988 356 T HA 0.273 4.627 4.350 0.006 0.000 0.240 356 T C 1.874 176.490 174.700 -0.141 0.000 1.014 356 T CA 0.187 62.232 62.100 -0.091 0.000 1.155 356 T CB -0.085 68.737 68.868 -0.077 0.000 0.872 356 T HN 0.213 nan 8.240 nan 0.000 0.440 357 L N 1.305 122.289 121.223 -0.397 0.000 2.042 357 L HA -0.089 4.255 4.340 0.006 0.000 0.210 357 L C 2.553 179.336 176.870 -0.145 0.000 1.076 357 L CA 1.246 55.809 54.840 -0.462 0.000 0.749 357 L CB -0.568 40.806 42.059 -1.142 0.000 0.893 357 L HN 0.231 nan 8.230 nan 0.000 0.432 358 E N 0.638 120.810 120.200 -0.046 0.000 2.478 358 E HA -0.172 4.182 4.350 0.006 0.000 0.198 358 E C 1.797 178.434 176.600 0.063 0.000 1.046 358 E CA 0.826 57.285 56.400 0.098 0.000 0.870 358 E CB 0.064 29.835 29.700 0.118 0.000 0.818 358 E HN 0.655 nan 8.360 nan 0.000 0.527 359 K N -1.307 119.113 120.400 0.033 0.000 2.370 359 K HA 0.162 4.486 4.320 0.006 0.000 0.194 359 K C 1.876 178.504 176.600 0.046 0.000 1.070 359 K CA 0.184 56.493 56.287 0.037 0.000 0.998 359 K CB 0.032 32.548 32.500 0.026 0.000 0.911 359 K HN -0.086 nan 8.250 nan 0.000 0.533 360 c N 0.709 119.352 118.600 0.072 0.000 2.558 360 c HA 0.206 4.780 4.570 0.006 0.000 0.288 360 c C 1.930 176.074 174.090 0.091 0.000 1.338 360 c CA -0.171 56.208 56.329 0.083 0.000 1.760 360 c CB -0.320 42.309 42.510 0.199 0.000 2.159 360 c HN 0.636 nan 8.230 nan 0.000 0.518 361 c N 1.745 120.427 118.600 0.136 0.000 2.477 361 c HA 0.317 4.891 4.570 0.006 0.000 0.321 361 c C 1.653 175.799 174.090 0.093 0.000 1.369 361 c CA 0.689 57.101 56.329 0.138 0.000 1.607 361 c CB -2.443 40.176 42.510 0.182 0.000 1.632 361 c HN 0.654 nan 8.230 nan 0.000 0.597 362 A N -0.297 122.562 122.820 0.065 0.000 2.806 362 A HA 0.758 5.082 4.320 0.006 0.000 0.266 362 A C 0.105 177.705 177.584 0.026 0.000 0.926 362 A CA 0.417 52.482 52.037 0.046 0.000 1.068 362 A CB -0.058 18.970 19.000 0.047 0.000 1.189 362 A HN 0.541 nan 8.150 nan 0.000 0.481 363 A N -0.500 122.330 122.820 0.016 0.000 2.608 363 A HA 0.805 5.128 4.320 0.006 0.000 0.292 363 A C -0.076 177.503 177.584 -0.009 0.000 1.066 363 A CA -0.029 52.008 52.037 0.000 0.000 0.676 363 A CB 0.220 19.214 19.000 -0.010 0.000 1.277 363 A HN 1.716 nan 8.150 nan 0.000 0.413 364 A N 0.330 123.144 122.820 -0.010 0.000 2.462 364 A HA 0.512 4.836 4.320 0.006 0.000 0.243 364 A C 0.411 177.985 177.584 -0.017 0.000 1.076 364 A CA 1.162 53.193 52.037 -0.011 0.000 0.773 364 A CB -0.484 18.512 19.000 -0.006 0.000 1.010 364 A HN 1.890 nan 8.150 nan 0.000 0.493 365 D N 1.017 121.412 120.400 -0.007 0.000 2.848 365 D HA -0.106 4.537 4.640 0.006 0.000 0.245 365 D C -2.003 174.291 176.300 -0.010 0.000 1.122 365 D CA 0.848 54.865 54.000 0.029 0.000 0.769 365 D CB -0.283 40.539 40.800 0.037 0.000 1.025 365 D HN 0.341 nan 8.370 nan 0.000 0.423 366 P HA -0.100 nan 4.420 nan 0.000 0.218 366 P C 1.067 178.053 177.300 -0.523 0.000 1.152 366 P CA 1.359 64.317 63.100 -0.236 0.000 0.826 366 P CB -0.079 31.595 31.700 -0.044 0.000 0.790 367 H N -0.695 118.214 119.070 -0.270 0.000 2.521 367 H HA 0.111 4.670 4.556 0.006 0.000 0.286 367 H C 1.094 176.333 175.328 -0.150 0.000 1.034 367 H CA 0.787 56.779 56.048 -0.093 0.000 1.278 367 H CB -0.432 29.366 29.762 0.061 0.000 1.386 367 H HN 0.179 nan 8.280 nan 0.000 0.567 368 E N -0.010 119.996 120.200 -0.324 0.000 2.498 368 E HA 0.051 4.405 4.350 0.006 0.000 0.203 368 E C 1.455 177.902 176.600 -0.255 0.000 1.013 368 E CA 0.056 56.265 56.400 -0.318 0.000 0.927 368 E CB 0.398 29.927 29.700 -0.285 0.000 1.012 368 E HN 0.505 nan 8.360 nan 0.000 0.482 369 c N 0.989 119.346 118.600 -0.405 0.000 2.548 369 c HA -0.159 4.414 4.570 0.006 0.000 0.284 369 c C 2.269 176.207 174.090 -0.253 0.000 1.252 369 c CA 0.975 57.098 56.329 -0.344 0.000 1.725 369 c CB -0.785 41.488 42.510 -0.395 0.000 2.098 369 c HN 0.467 nan 8.230 nan 0.000 0.471 370 Y N 1.725 122.034 120.300 0.016 0.000 2.285 370 Y HA 0.224 4.778 4.550 0.006 0.000 0.227 370 Y C 2.549 178.471 175.900 0.037 0.000 1.003 370 Y CA 1.406 59.519 58.100 0.021 0.000 1.003 370 Y CB -1.821 36.652 38.460 0.021 0.000 0.994 370 Y HN 0.628 nan 8.280 nan 0.000 0.500 371 A N 0.067 123.126 122.820 0.397 0.000 1.387 371 A HA -0.448 3.875 4.320 0.006 0.000 0.351 371 A C 1.345 179.043 177.584 0.190 0.000 1.649 371 A CA 2.537 54.707 52.037 0.222 0.000 1.088 371 A CB -2.130 16.912 19.000 0.071 0.000 1.472 371 A HN 0.636 nan 8.150 nan 0.000 0.721 372 K N 0.349 120.826 120.400 0.128 0.000 3.025 372 K HA 0.349 4.672 4.320 0.006 0.000 0.260 372 K C 1.057 177.734 176.600 0.129 0.000 1.023 372 K CA 0.476 56.830 56.287 0.112 0.000 1.194 372 K CB 0.014 32.554 32.500 0.068 0.000 1.094 372 K HN 0.622 nan 8.250 nan 0.000 0.460 373 V N -0.281 119.734 119.914 0.169 0.000 2.488 373 V HA -0.147 3.976 4.120 0.006 0.000 0.246 373 V C 1.214 177.242 176.094 -0.110 0.000 1.046 373 V CA 1.385 63.731 62.300 0.077 0.000 1.053 373 V CB -0.263 31.601 31.823 0.067 0.000 0.679 373 V HN 0.331 nan 8.190 nan 0.000 0.458 374 F N 0.865 120.624 119.950 -0.320 0.000 2.641 374 F HA 0.004 4.534 4.527 0.006 0.000 0.298 374 F C 1.865 177.544 175.800 -0.202 0.000 1.146 374 F CA 1.304 58.894 58.000 -0.683 0.000 1.464 374 F CB -0.643 38.034 39.000 -0.538 0.000 1.101 374 F HN 0.285 nan 8.300 nan 0.000 0.585 375 D N 0.079 120.542 120.400 0.105 0.000 2.264 375 D HA -0.118 4.525 4.640 0.006 0.000 0.208 375 D C 1.934 178.329 176.300 0.158 0.000 0.966 375 D CA 0.946 55.020 54.000 0.122 0.000 0.864 375 D CB -0.104 40.752 40.800 0.094 0.000 0.933 375 D HN 0.383 nan 8.370 nan 0.000 0.499 376 E N -0.459 119.865 120.200 0.208 0.000 2.076 376 E HA -0.102 4.252 4.350 0.006 0.000 0.190 376 E C 1.565 178.362 176.600 0.329 0.000 0.979 376 E CA 0.359 56.904 56.400 0.242 0.000 0.807 376 E CB -0.130 29.718 29.700 0.247 0.000 0.761 376 E HN 0.221 nan 8.360 nan 0.000 0.454 377 F N 2.374 122.357 119.950 0.055 0.000 2.115 377 F HA -0.260 4.271 4.527 0.006 0.000 0.300 377 F C 2.044 177.884 175.800 0.068 0.000 1.092 377 F CA 1.179 59.216 58.000 0.061 0.000 1.245 377 F CB -0.829 38.251 39.000 0.133 0.000 0.995 377 F HN -0.062 nan 8.300 nan 0.000 0.481 378 K N -0.266 120.310 120.400 0.292 0.000 2.000 378 K HA -0.216 4.108 4.320 0.006 0.000 0.218 378 K C -0.176 176.490 176.600 0.110 0.000 1.053 378 K CA 2.194 58.591 56.287 0.184 0.000 0.946 378 K CB -1.916 30.671 32.500 0.144 0.000 0.723 378 K HN 0.250 nan 8.250 nan 0.000 0.446 379 P HA -0.109 nan 4.420 nan 0.000 0.218 379 P C 1.281 178.590 177.300 0.015 0.000 1.149 379 P CA 1.156 64.282 63.100 0.044 0.000 0.817 379 P CB 0.022 31.746 31.700 0.041 0.000 0.785 380 L N -1.081 120.148 121.223 0.011 0.000 2.240 380 L HA -0.031 4.313 4.340 0.006 0.000 0.211 380 L C 1.985 178.804 176.870 -0.085 0.000 1.106 380 L CA 0.896 55.707 54.840 -0.049 0.000 0.793 380 L CB -0.733 41.274 42.059 -0.086 0.000 0.927 380 L HN -0.067 nan 8.230 nan 0.000 0.446 381 V N -4.848 115.040 119.914 -0.044 0.000 3.623 381 V HA 0.103 4.227 4.120 0.006 0.000 0.271 381 V C 1.673 177.715 176.094 -0.087 0.000 1.248 381 V CA 0.686 62.931 62.300 -0.093 0.000 1.156 381 V CB 0.016 31.872 31.823 0.056 0.000 0.870 381 V HN 0.296 nan 8.190 nan 0.000 0.453 382 E N 0.127 120.301 120.200 -0.043 0.000 2.357 382 E HA 0.026 4.380 4.350 0.006 0.000 0.202 382 E C 1.997 178.573 176.600 -0.040 0.000 0.855 382 E CA 0.498 56.879 56.400 -0.031 0.000 1.048 382 E CB 0.122 29.827 29.700 0.007 0.000 1.037 382 E HN 0.540 nan 8.360 nan 0.000 0.499 383 E N 1.318 121.498 120.200 -0.033 0.000 2.136 383 E HA -0.197 4.156 4.350 0.006 0.000 0.208 383 E C -0.942 175.633 176.600 -0.040 0.000 1.035 383 E CA 1.971 58.353 56.400 -0.030 0.000 0.838 383 E CB -0.938 28.745 29.700 -0.028 0.000 0.748 383 E HN 0.152 nan 8.360 nan 0.000 0.459 384 P HA -0.119 nan 4.420 nan 0.000 0.216 384 P C 1.435 178.696 177.300 -0.066 0.000 1.153 384 P CA 1.621 64.677 63.100 -0.072 0.000 0.848 384 P CB -0.206 31.425 31.700 -0.115 0.000 0.787 385 Q N -0.641 119.114 119.800 -0.075 0.000 2.050 385 Q HA -0.215 4.128 4.340 0.006 0.000 0.202 385 Q C 2.122 178.101 176.000 -0.034 0.000 0.980 385 Q CA 1.650 57.418 55.803 -0.058 0.000 0.840 385 Q CB -0.877 27.828 28.738 -0.056 0.000 0.898 385 Q HN 0.226 nan 8.270 nan 0.000 0.424 386 N N 0.379 119.064 118.700 -0.025 0.000 2.364 386 N HA -0.134 4.610 4.740 0.006 0.000 0.183 386 N C 1.451 176.956 175.510 -0.008 0.000 1.022 386 N CA 0.710 53.754 53.050 -0.011 0.000 0.883 386 N CB -0.007 38.477 38.487 -0.005 0.000 0.965 386 N HN 0.117 nan 8.380 nan 0.000 0.438 387 L N 0.525 121.741 121.223 -0.013 0.000 2.049 387 L HA 0.020 4.364 4.340 0.006 0.000 0.203 387 L C 2.050 178.914 176.870 -0.009 0.000 1.074 387 L CA 1.050 55.888 54.840 -0.003 0.000 0.749 387 L CB -0.999 41.058 42.059 -0.003 0.000 0.907 387 L HN 0.253 nan 8.230 nan 0.000 0.439 388 I N -0.226 120.327 120.570 -0.028 0.000 2.208 388 I HA -0.367 3.807 4.170 0.006 0.000 0.245 388 I C 2.625 178.721 176.117 -0.036 0.000 1.097 388 I CA 1.242 62.516 61.300 -0.044 0.000 1.363 388 I CB -0.473 37.493 38.000 -0.058 0.000 1.051 388 I HN 0.315 nan 8.210 nan 0.000 0.413 389 K N 1.115 121.501 120.400 -0.023 0.000 2.001 389 K HA -0.267 4.057 4.320 0.006 0.000 0.214 389 K C 2.188 178.783 176.600 -0.008 0.000 1.050 389 K CA 1.929 58.208 56.287 -0.014 0.000 0.934 389 K CB -0.128 32.368 32.500 -0.007 0.000 0.718 389 K HN 0.364 nan 8.250 nan 0.000 0.443 390 Q N 0.223 120.024 119.800 0.002 0.000 1.956 390 Q HA -0.178 4.165 4.340 0.006 0.000 0.208 390 Q C 2.031 178.042 176.000 0.018 0.000 0.998 390 Q CA 1.909 57.721 55.803 0.016 0.000 0.855 390 Q CB -0.280 28.475 28.738 0.028 0.000 0.928 390 Q HN 0.405 nan 8.270 nan 0.000 0.418 391 N N 0.002 118.717 118.700 0.024 0.000 2.289 391 N HA -0.129 4.615 4.740 0.006 0.000 0.184 391 N C 1.781 177.234 175.510 -0.095 0.000 1.016 391 N CA 1.007 54.074 53.050 0.030 0.000 0.872 391 N CB -0.175 38.364 38.487 0.088 0.000 0.973 391 N HN 0.302 nan 8.380 nan 0.000 0.433 392 c N 1.066 119.621 118.600 -0.076 0.000 2.476 392 c HA -0.009 4.565 4.570 0.006 0.000 0.278 392 c C 2.522 176.601 174.090 -0.018 0.000 1.274 392 c CA 0.250 56.542 56.329 -0.062 0.000 1.713 392 c CB -0.779 41.700 42.510 -0.051 0.000 2.039 392 c HN 0.498 nan 8.230 nan 0.000 0.484 393 E N 0.487 120.676 120.200 -0.018 0.000 2.160 393 E HA -0.236 4.118 4.350 0.006 0.000 0.195 393 E C 1.910 178.497 176.600 -0.022 0.000 0.991 393 E CA 1.030 57.422 56.400 -0.014 0.000 0.810 393 E CB -0.213 29.484 29.700 -0.005 0.000 0.742 393 E HN 0.504 nan 8.360 nan 0.000 0.466 394 L N 0.105 121.317 121.223 -0.019 0.000 2.095 394 L HA -0.045 4.298 4.340 0.006 0.000 0.204 394 L C 1.962 178.780 176.870 -0.086 0.000 1.080 394 L CA 1.388 56.224 54.840 -0.005 0.000 0.759 394 L CB -0.571 41.538 42.059 0.083 0.000 0.914 394 L HN 0.029 nan 8.230 nan 0.000 0.439 395 F N 1.355 121.047 119.950 -0.431 0.000 2.126 395 F HA -0.191 4.339 4.527 0.006 0.000 0.299 395 F C 2.068 177.704 175.800 -0.275 0.000 1.096 395 F CA 1.891 59.534 58.000 -0.595 0.000 1.255 395 F CB -0.323 38.248 39.000 -0.716 0.000 0.997 395 F HN 0.289 nan 8.300 nan 0.000 0.479 396 E N -0.569 119.492 120.200 -0.231 0.000 2.526 396 E HA -0.112 4.241 4.350 0.006 0.000 0.198 396 E C 1.608 178.093 176.600 -0.193 0.000 1.091 396 E CA 0.416 56.670 56.400 -0.243 0.000 0.880 396 E CB -0.061 29.579 29.700 -0.100 0.000 0.873 396 E HN 0.648 nan 8.360 nan 0.000 0.527 397 Q N -0.724 118.972 119.800 -0.173 0.000 2.580 397 Q HA 0.187 4.531 4.340 0.006 0.000 0.239 397 Q C 1.909 177.856 176.000 -0.087 0.000 0.873 397 Q CA 0.004 55.748 55.803 -0.099 0.000 0.951 397 Q CB 0.348 29.059 28.738 -0.045 0.000 1.172 397 Q HN 0.220 nan 8.270 nan 0.000 0.616 398 L N 0.368 121.547 121.223 -0.074 0.000 2.341 398 L HA 0.157 4.501 4.340 0.006 0.000 0.214 398 L C 0.684 177.526 176.870 -0.046 0.000 1.115 398 L CA 0.599 55.436 54.840 -0.006 0.000 0.820 398 L CB 0.062 42.187 42.059 0.110 0.000 0.944 398 L HN 0.365 nan 8.230 nan 0.000 0.452 399 G N 0.194 108.855 108.800 -0.232 0.000 2.733 399 G HA2 -0.280 3.683 3.960 0.006 0.000 0.686 399 G HA3 -0.280 3.683 3.960 0.006 0.000 0.686 399 G C 0.337 175.168 174.900 -0.115 0.000 1.373 399 G CA 0.102 45.015 45.100 -0.311 0.000 0.838 399 G HN 0.302 nan 8.290 nan 0.000 0.588 400 E N -0.335 119.835 120.200 -0.050 0.000 2.114 400 E HA -0.261 4.093 4.350 0.006 0.000 0.199 400 E C 1.889 178.706 176.600 0.361 0.000 1.008 400 E CA 2.312 58.959 56.400 0.412 0.000 0.810 400 E CB -0.140 29.786 29.700 0.377 0.000 0.739 400 E HN 0.668 nan 8.360 nan 0.000 0.456 401 Y N 1.187 121.569 120.300 0.136 0.000 2.079 401 Y HA -0.184 4.370 4.550 0.006 0.000 0.267 401 Y C 2.073 178.039 175.900 0.111 0.000 1.104 401 Y CA 2.097 60.258 58.100 0.103 0.000 1.086 401 Y CB -0.311 38.183 38.460 0.056 0.000 0.989 401 Y HN -0.156 nan 8.280 nan 0.000 0.477 402 K N -0.615 119.798 120.400 0.021 0.000 2.228 402 K HA -0.234 4.090 4.320 0.006 0.000 0.205 402 K C 1.979 178.567 176.600 -0.019 0.000 1.045 402 K CA 1.682 57.920 56.287 -0.083 0.000 0.931 402 K CB -0.542 32.006 32.500 0.080 0.000 0.727 402 K HN 0.368 nan 8.250 nan 0.000 0.458 403 F N 2.178 122.098 119.950 -0.049 0.000 2.128 403 F HA -0.160 4.371 4.527 0.006 0.000 0.295 403 F C 2.074 177.838 175.800 -0.060 0.000 1.100 403 F CA 1.423 59.423 58.000 -0.000 0.000 1.260 403 F CB -0.251 38.840 39.000 0.153 0.000 1.009 403 F HN -0.040 nan 8.300 nan 0.000 0.476 404 Q N 0.132 119.844 119.800 -0.146 0.000 2.248 404 Q HA -0.227 4.116 4.340 0.006 0.000 0.208 404 Q C 1.731 177.538 176.000 -0.322 0.000 0.984 404 Q CA 1.613 57.248 55.803 -0.280 0.000 0.875 404 Q CB -0.358 28.309 28.738 -0.119 0.000 0.910 404 Q HN 0.430 nan 8.270 nan 0.000 0.433 405 N N 0.402 118.907 118.700 -0.326 0.000 2.216 405 N HA -0.091 4.653 4.740 0.006 0.000 0.183 405 N C 1.577 176.960 175.510 -0.212 0.000 1.017 405 N CA 1.238 54.121 53.050 -0.279 0.000 0.861 405 N CB -0.445 37.853 38.487 -0.315 0.000 0.986 405 N HN 0.256 nan 8.380 nan 0.000 0.428 406 A N 1.307 123.991 122.820 -0.227 0.000 1.865 406 A HA -0.112 4.212 4.320 0.006 0.000 0.217 406 A C 2.319 179.768 177.584 -0.225 0.000 1.191 406 A CA 1.216 53.139 52.037 -0.190 0.000 0.623 406 A CB -0.936 17.958 19.000 -0.177 0.000 0.826 406 A HN 0.224 nan 8.150 nan 0.000 0.444 407 L N -0.674 120.318 121.223 -0.386 0.000 2.046 407 L HA -0.160 4.183 4.340 0.006 0.000 0.208 407 L C 2.533 179.281 176.870 -0.205 0.000 1.077 407 L CA 0.949 55.565 54.840 -0.373 0.000 0.747 407 L CB -0.538 41.151 42.059 -0.616 0.000 0.896 407 L HN 0.368 nan 8.230 nan 0.000 0.432 408 L N -0.624 120.480 121.223 -0.199 0.000 2.137 408 L HA -0.269 4.075 4.340 0.006 0.000 0.213 408 L C 2.302 179.139 176.870 -0.054 0.000 1.085 408 L CA 1.233 56.005 54.840 -0.112 0.000 0.760 408 L CB -0.365 41.624 42.059 -0.117 0.000 0.893 408 L HN 0.186 nan 8.230 nan 0.000 0.434 409 V N -1.434 118.446 119.914 -0.057 0.000 2.403 409 V HA -0.138 3.986 4.120 0.006 0.000 0.239 409 V C 2.434 178.531 176.094 0.004 0.000 1.041 409 V CA 1.076 63.361 62.300 -0.025 0.000 1.051 409 V CB -0.554 31.252 31.823 -0.029 0.000 0.704 409 V HN 0.332 nan 8.190 nan 0.000 0.472 410 R N -0.660 119.851 120.500 0.019 0.000 2.097 410 R HA -0.228 4.115 4.340 0.006 0.000 0.236 410 R C 2.376 178.752 176.300 0.127 0.000 1.135 410 R CA 2.350 58.494 56.100 0.072 0.000 0.934 410 R CB -0.458 29.905 30.300 0.106 0.000 0.846 410 R HN 0.488 nan 8.270 nan 0.000 0.431 411 Y N -0.405 119.849 120.300 -0.077 0.000 2.421 411 Y HA -0.119 4.434 4.550 0.006 0.000 0.292 411 Y C 2.400 178.259 175.900 -0.068 0.000 1.136 411 Y CA 1.342 59.404 58.100 -0.064 0.000 1.255 411 Y CB -0.253 38.156 38.460 -0.086 0.000 0.991 411 Y HN 0.135 nan 8.280 nan 0.000 0.552 412 T N -1.247 113.341 114.554 0.056 0.000 3.057 412 T HA -0.011 4.343 4.350 0.006 0.000 0.254 412 T C 1.868 176.516 174.700 -0.087 0.000 1.094 412 T CA 0.625 62.711 62.100 -0.024 0.000 1.088 412 T CB 0.100 68.954 68.868 -0.023 0.000 0.934 412 T HN 0.232 nan 8.240 nan 0.000 0.497 413 K N 0.604 120.967 120.400 -0.062 0.000 2.137 413 K HA 0.092 4.416 4.320 0.006 0.000 0.202 413 K C 2.253 178.789 176.600 -0.105 0.000 1.052 413 K CA 0.765 57.002 56.287 -0.084 0.000 0.961 413 K CB 0.101 32.577 32.500 -0.040 0.000 0.741 413 K HN 0.219 nan 8.250 nan 0.000 0.452 414 K N 0.663 121.005 120.400 -0.096 0.000 2.097 414 K HA -0.085 4.239 4.320 0.006 0.000 0.206 414 K C 0.866 177.391 176.600 -0.125 0.000 1.049 414 K CA 1.303 57.520 56.287 -0.117 0.000 0.933 414 K CB 0.209 32.607 32.500 -0.171 0.000 0.717 414 K HN 0.067 nan 8.250 nan 0.000 0.442 415 V N -2.585 117.249 119.914 -0.133 0.000 2.666 415 V HA 0.215 4.339 4.120 0.006 0.000 0.261 415 V C -2.751 173.244 176.094 -0.165 0.000 0.892 415 V CA -1.448 60.777 62.300 -0.124 0.000 0.937 415 V CB 1.267 33.043 31.823 -0.079 0.000 1.063 415 V HN -0.108 nan 8.190 nan 0.000 0.494 416 P HA -0.061 nan 4.420 nan 0.000 0.222 416 P C 1.427 178.564 177.300 -0.272 0.000 1.147 416 P CA 1.196 63.989 63.100 -0.511 0.000 0.790 416 P CB 0.255 31.092 31.700 -1.439 0.000 0.780 417 Q N -0.816 118.915 119.800 -0.116 0.000 2.443 417 Q HA -0.038 4.306 4.340 0.006 0.000 0.213 417 Q C 0.521 176.567 176.000 0.078 0.000 0.982 417 Q CA 0.545 56.402 55.803 0.089 0.000 0.894 417 Q CB -0.952 27.860 28.738 0.123 0.000 0.947 417 Q HN 0.140 nan 8.270 nan 0.000 0.480 418 V N 0.909 120.848 119.914 0.043 0.000 2.715 418 V HA 0.020 4.144 4.120 0.006 0.000 0.299 418 V C 0.532 176.660 176.094 0.056 0.000 1.054 418 V CA -0.468 61.881 62.300 0.082 0.000 1.077 418 V CB 1.383 33.248 31.823 0.070 0.000 0.972 418 V HN 0.200 nan 8.190 nan 0.000 0.484 419 S N 3.453 119.189 115.700 0.060 0.000 2.593 419 S HA -0.067 4.407 4.470 0.006 0.000 0.300 419 S C 1.437 176.050 174.600 0.023 0.000 1.267 419 S CA 0.479 58.699 58.200 0.033 0.000 1.065 419 S CB 0.554 63.767 63.200 0.022 0.000 0.807 419 S HN 0.897 nan 8.310 nan 0.000 0.499 420 T N 7.012 121.574 114.554 0.013 0.000 2.746 420 T HA -0.014 4.340 4.350 0.006 0.000 0.267 420 T C -0.949 173.753 174.700 0.003 0.000 1.039 420 T CA 1.584 63.688 62.100 0.006 0.000 1.142 420 T CB -1.118 67.749 68.868 -0.002 0.000 0.866 420 T HN 0.607 nan 8.240 nan 0.000 0.444 421 P HA -0.038 nan 4.420 nan 0.000 0.216 421 P C 1.544 178.844 177.300 0.000 0.000 1.150 421 P CA 1.162 64.262 63.100 -0.000 0.000 0.837 421 P CB -0.239 31.459 31.700 -0.004 0.000 0.786 422 T N -0.190 114.367 114.554 0.005 0.000 2.701 422 T HA -0.081 4.272 4.350 0.006 0.000 0.263 422 T C 1.753 176.454 174.700 0.002 0.000 1.040 422 T CA 1.039 63.142 62.100 0.006 0.000 1.147 422 T CB -1.057 67.825 68.868 0.023 0.000 0.865 422 T HN 0.029 nan 8.240 nan 0.000 0.426 423 L N 0.909 122.137 121.223 0.008 0.000 2.197 423 L HA -0.157 4.187 4.340 0.006 0.000 0.215 423 L C 2.444 179.305 176.870 -0.016 0.000 1.095 423 L CA 0.902 55.744 54.840 0.004 0.000 0.764 423 L CB -0.665 41.398 42.059 0.007 0.000 0.897 423 L HN 0.172 nan 8.230 nan 0.000 0.436 424 V N -0.626 119.281 119.914 -0.012 0.000 2.283 424 V HA -0.199 3.925 4.120 0.006 0.000 0.239 424 V C 2.408 178.492 176.094 -0.017 0.000 1.035 424 V CA 1.534 63.825 62.300 -0.014 0.000 1.018 424 V CB -0.509 31.316 31.823 0.003 0.000 0.658 424 V HN 0.483 nan 8.190 nan 0.000 0.459 425 E N 0.947 121.141 120.200 -0.010 0.000 2.136 425 E HA -0.242 4.111 4.350 0.006 0.000 0.202 425 E C 1.800 178.386 176.600 -0.024 0.000 1.019 425 E CA 2.531 58.924 56.400 -0.013 0.000 0.819 425 E CB -0.550 29.140 29.700 -0.015 0.000 0.739 425 E HN 0.347 nan 8.360 nan 0.000 0.458 426 V N 0.046 119.938 119.914 -0.036 0.000 2.256 426 V HA -0.172 3.951 4.120 0.006 0.000 0.240 426 V C 2.487 178.528 176.094 -0.088 0.000 1.036 426 V CA 1.687 63.953 62.300 -0.057 0.000 1.008 426 V CB -0.892 30.898 31.823 -0.056 0.000 0.648 426 V HN 0.296 nan 8.190 nan 0.000 0.453 427 S N -0.307 115.327 115.700 -0.109 0.000 2.374 427 S HA -0.250 4.224 4.470 0.006 0.000 0.227 427 S C 2.090 176.601 174.600 -0.148 0.000 1.037 427 S CA 1.766 59.855 58.200 -0.185 0.000 1.024 427 S CB -0.375 62.721 63.200 -0.174 0.000 0.861 427 S HN 0.467 nan 8.310 nan 0.000 0.456 428 R N 1.076 121.530 120.500 -0.076 0.000 2.083 428 R HA -0.073 4.271 4.340 0.006 0.000 0.237 428 R C 1.957 178.254 176.300 -0.005 0.000 1.137 428 R CA 1.568 57.652 56.100 -0.027 0.000 0.951 428 R CB -0.495 29.811 30.300 0.010 0.000 0.851 428 R HN 0.343 nan 8.270 nan 0.000 0.434 429 N N 0.728 119.427 118.700 -0.002 0.000 2.188 429 N HA -0.072 4.671 4.740 0.006 0.000 0.184 429 N C 1.864 177.409 175.510 0.059 0.000 1.018 429 N CA 0.883 53.966 53.050 0.055 0.000 0.858 429 N CB -0.228 38.292 38.487 0.055 0.000 0.989 429 N HN 0.170 nan 8.380 nan 0.000 0.426 430 L N -0.053 121.147 121.223 -0.038 0.000 2.042 430 L HA -0.113 4.230 4.340 0.006 0.000 0.210 430 L C 2.285 179.113 176.870 -0.070 0.000 1.076 430 L CA 1.496 56.281 54.840 -0.092 0.000 0.749 430 L CB -1.020 40.883 42.059 -0.259 0.000 0.893 430 L HN 0.243 nan 8.230 nan 0.000 0.432 431 G N -0.260 108.514 108.800 -0.044 0.000 2.443 431 G HA2 -0.211 3.752 3.960 0.006 0.000 0.219 431 G HA3 -0.211 3.752 3.960 0.006 0.000 0.219 431 G C 1.666 176.565 174.900 -0.003 0.000 1.131 431 G CA 0.253 45.436 45.100 0.138 0.000 0.775 431 G HN 0.312 nan 8.290 nan 0.000 0.547 432 K N 0.117 120.482 120.400 -0.058 0.000 2.365 432 K HA 0.053 4.377 4.320 0.006 0.000 0.199 432 K C 2.413 178.750 176.600 -0.438 0.000 1.045 432 K CA 0.414 56.626 56.287 -0.126 0.000 0.962 432 K CB 0.096 32.607 32.500 0.018 0.000 0.759 432 K HN 0.288 nan 8.250 nan 0.000 0.469 433 V N 0.354 119.905 119.914 -0.604 0.000 2.307 433 V HA -0.144 3.980 4.120 0.006 0.000 0.245 433 V C 2.405 178.061 176.094 -0.730 0.000 1.045 433 V CA 2.099 63.845 62.300 -0.923 0.000 1.024 433 V CB -1.109 30.322 31.823 -0.653 0.000 0.651 433 V HN 0.394 nan 8.190 nan 0.000 0.449 434 G N -0.016 108.278 108.800 -0.843 0.000 2.507 434 G HA2 -0.277 3.687 3.960 0.006 0.000 0.221 434 G HA3 -0.277 3.687 3.960 0.006 0.000 0.221 434 G C 1.783 175.991 174.900 -1.153 0.000 1.119 434 G CA 1.437 45.736 45.100 -1.335 0.000 0.751 434 G HN 0.525 nan 8.290 nan 0.000 0.574 435 S N 0.387 115.611 115.700 -0.793 0.000 2.383 435 S HA -0.038 4.436 4.470 0.006 0.000 0.227 435 S C 1.760 176.283 174.600 -0.127 0.000 1.026 435 S CA 1.467 59.587 58.200 -0.134 0.000 0.981 435 S CB -0.064 63.154 63.200 0.030 0.000 0.818 435 S HN 0.771 nan 8.310 nan 0.000 0.472 436 K N -0.720 119.520 120.400 -0.266 0.000 2.861 436 K HA 0.485 4.808 4.320 0.006 0.000 0.210 436 K C -0.035 176.359 176.600 -0.343 0.000 1.112 436 K CA -0.098 56.067 56.287 -0.203 0.000 1.076 436 K CB 0.080 32.498 32.500 -0.136 0.000 0.853 436 K HN 0.193 nan 8.250 nan 0.000 0.463 437 c N -1.050 117.322 118.600 -0.380 0.000 4.263 437 c HA 0.120 4.693 4.570 0.006 0.000 0.563 437 c C 1.446 175.362 174.090 -0.289 0.000 1.346 437 c CA -0.233 55.810 56.329 -0.476 0.000 2.528 437 c CB 0.019 42.284 42.510 -0.408 0.000 3.692 437 c HN 0.742 nan 8.230 nan 0.000 0.515 438 c N 1.908 120.392 118.600 -0.195 0.000 2.509 438 c HA 0.090 4.663 4.570 0.006 0.000 0.301 438 c C 1.921 176.029 174.090 0.030 0.000 1.317 438 c CA 0.745 57.036 56.329 -0.063 0.000 1.667 438 c CB -2.086 40.412 42.510 -0.020 0.000 1.717 438 c HN 0.568 nan 8.230 nan 0.000 0.595 439 K N -0.703 119.734 120.400 0.062 0.000 2.353 439 K HA 0.127 4.451 4.320 0.006 0.000 0.195 439 K C 0.319 177.052 176.600 0.223 0.000 1.031 439 K CA 0.106 56.478 56.287 0.142 0.000 1.079 439 K CB 0.271 32.868 32.500 0.162 0.000 0.857 439 K HN 0.686 nan 8.250 nan 0.000 0.535 440 H N 1.195 120.260 119.070 -0.009 0.000 2.488 440 H HA 0.183 4.742 4.556 0.006 0.000 0.347 440 H C -2.287 173.039 175.328 -0.004 0.000 1.174 440 H CA -2.232 53.813 56.048 -0.005 0.000 1.307 440 H CB 0.992 30.748 29.762 -0.009 0.000 1.517 440 H HN -0.142 nan 8.280 nan 0.000 0.554 441 P HA -0.048 nan 4.420 nan 0.000 0.272 441 P C 0.571 177.908 177.300 0.061 0.000 1.223 441 P CA -0.227 62.904 63.100 0.051 0.000 0.784 441 P CB 0.868 32.580 31.700 0.020 0.000 0.923 442 E N 1.535 121.759 120.200 0.041 0.000 2.147 442 E HA -0.251 4.102 4.350 0.006 0.000 0.199 442 E C 1.824 178.446 176.600 0.036 0.000 1.005 442 E CA 2.043 58.462 56.400 0.032 0.000 0.810 442 E CB -1.251 28.463 29.700 0.023 0.000 0.736 442 E HN 0.537 nan 8.360 nan 0.000 0.460 443 A N 1.182 124.029 122.820 0.046 0.000 1.873 443 A HA -0.133 4.191 4.320 0.006 0.000 0.215 443 A C 1.973 179.597 177.584 0.066 0.000 1.186 443 A CA 1.553 53.625 52.037 0.057 0.000 0.616 443 A CB -0.151 18.884 19.000 0.060 0.000 0.823 443 A HN 0.014 nan 8.150 nan 0.000 0.442 444 K N -0.862 119.585 120.400 0.078 0.000 2.444 444 K HA 0.206 4.530 4.320 0.006 0.000 0.193 444 K C 1.684 178.374 176.600 0.150 0.000 1.024 444 K CA 0.329 56.685 56.287 0.116 0.000 1.077 444 K CB -0.024 32.543 32.500 0.113 0.000 0.833 444 K HN 0.423 nan 8.250 nan 0.000 0.517 445 R N -0.270 120.285 120.500 0.092 0.000 2.276 445 R HA 0.139 4.483 4.340 0.006 0.000 0.203 445 R C 1.761 178.046 176.300 -0.025 0.000 1.017 445 R CA 0.518 56.632 56.100 0.025 0.000 1.010 445 R CB 0.071 30.379 30.300 0.013 0.000 0.900 445 R HN 0.103 nan 8.270 nan 0.000 0.469 446 M N 0.565 120.156 119.600 -0.015 0.000 2.081 446 M HA -0.002 4.482 4.480 0.006 0.000 0.261 446 M C -1.016 175.253 176.300 -0.053 0.000 1.075 446 M CA 1.642 56.908 55.300 -0.057 0.000 1.133 446 M CB -0.969 31.578 32.600 -0.087 0.000 1.330 446 M HN -0.066 nan 8.290 nan 0.000 0.414 447 P HA -0.094 nan 4.420 nan 0.000 0.212 447 P C 1.891 179.192 177.300 0.001 0.000 1.180 447 P CA 1.277 64.374 63.100 -0.005 0.000 0.902 447 P CB -0.493 31.223 31.700 0.027 0.000 0.778 448 c N 0.005 118.610 118.600 0.009 0.000 2.347 448 c HA -0.313 4.260 4.570 0.006 0.000 0.270 448 c C 2.737 176.808 174.090 -0.032 0.000 1.145 448 c CA 2.323 58.639 56.329 -0.021 0.000 1.802 448 c CB -1.668 40.751 42.510 -0.151 0.000 2.084 448 c HN 0.270 nan 8.230 nan 0.000 0.446 449 A N -0.281 122.493 122.820 -0.076 0.000 1.821 449 A HA -0.135 4.189 4.320 0.006 0.000 0.215 449 A C 2.016 179.588 177.584 -0.019 0.000 1.214 449 A CA 1.955 53.945 52.037 -0.080 0.000 0.608 449 A CB -1.246 17.692 19.000 -0.103 0.000 0.862 449 A HN 0.690 nan 8.150 nan 0.000 0.448 450 E N 0.248 120.429 120.200 -0.031 0.000 2.284 450 E HA -0.213 4.140 4.350 0.006 0.000 0.200 450 E C 1.176 177.779 176.600 0.004 0.000 1.008 450 E CA 1.838 58.225 56.400 -0.022 0.000 0.829 450 E CB -0.251 29.419 29.700 -0.051 0.000 0.744 450 E HN 0.608 nan 8.360 nan 0.000 0.491 451 D N -1.368 119.048 120.400 0.026 0.000 2.154 451 D HA -0.102 4.541 4.640 0.006 0.000 0.211 451 D C 1.587 177.925 176.300 0.064 0.000 0.977 451 D CA 1.099 55.127 54.000 0.046 0.000 0.869 451 D CB -0.755 40.082 40.800 0.061 0.000 1.022 451 D HN 0.284 nan 8.370 nan 0.000 0.461 452 Y N 1.233 121.506 120.300 -0.045 0.000 2.193 452 Y HA -0.209 4.345 4.550 0.006 0.000 0.285 452 Y C 2.185 178.044 175.900 -0.068 0.000 1.166 452 Y CA 1.166 59.233 58.100 -0.056 0.000 1.181 452 Y CB -0.099 38.316 38.460 -0.076 0.000 0.976 452 Y HN -0.045 nan 8.280 nan 0.000 0.520 453 L N -1.023 120.324 121.223 0.208 0.000 2.017 453 L HA -0.259 4.085 4.340 0.006 0.000 0.208 453 L C 2.795 179.669 176.870 0.006 0.000 1.073 453 L CA 1.789 56.689 54.840 0.100 0.000 0.745 453 L CB -0.682 41.399 42.059 0.038 0.000 0.894 453 L HN 0.299 nan 8.230 nan 0.000 0.432 454 S N -0.914 114.781 115.700 -0.009 0.000 2.365 454 S HA -0.213 4.261 4.470 0.006 0.000 0.225 454 S C 1.930 176.481 174.600 -0.081 0.000 1.039 454 S CA 1.712 59.888 58.200 -0.041 0.000 1.033 454 S CB -0.295 62.885 63.200 -0.034 0.000 0.887 454 S HN 0.304 nan 8.310 nan 0.000 0.447 455 V N 1.352 121.198 119.914 -0.113 0.000 2.252 455 V HA -0.182 3.941 4.120 0.006 0.000 0.249 455 V C 2.473 178.463 176.094 -0.173 0.000 1.056 455 V CA 2.164 64.359 62.300 -0.176 0.000 1.022 455 V CB -0.723 30.929 31.823 -0.285 0.000 0.641 455 V HN 0.475 nan 8.190 nan 0.000 0.445 456 V N -0.579 119.232 119.914 -0.171 0.000 2.427 456 V HA -0.231 3.893 4.120 0.006 0.000 0.248 456 V C 2.259 178.278 176.094 -0.126 0.000 1.051 456 V CA 1.717 63.937 62.300 -0.132 0.000 1.048 456 V CB -0.567 31.225 31.823 -0.051 0.000 0.666 456 V HN 0.453 nan 8.190 nan 0.000 0.456 457 L N 0.485 121.626 121.223 -0.136 0.000 2.191 457 L HA -0.185 4.159 4.340 0.006 0.000 0.212 457 L C 2.419 179.202 176.870 -0.145 0.000 1.103 457 L CA 1.586 56.304 54.840 -0.204 0.000 0.769 457 L CB -0.573 41.358 42.059 -0.214 0.000 0.908 457 L HN 0.449 nan 8.230 nan 0.000 0.438 458 N N 0.509 119.149 118.700 -0.100 0.000 2.135 458 N HA -0.213 4.530 4.740 0.006 0.000 0.186 458 N C 1.832 177.298 175.510 -0.073 0.000 1.027 458 N CA 1.243 54.252 53.050 -0.069 0.000 0.849 458 N CB -0.034 38.404 38.487 -0.082 0.000 1.002 458 N HN 0.425 nan 8.380 nan 0.000 0.425 459 Q N -0.331 119.414 119.800 -0.092 0.000 2.541 459 Q HA -0.068 4.275 4.340 0.006 0.000 0.215 459 Q C 1.596 177.561 176.000 -0.059 0.000 0.977 459 Q CA 0.615 56.370 55.803 -0.080 0.000 0.934 459 Q CB -0.135 28.549 28.738 -0.090 0.000 0.988 459 Q HN 0.397 nan 8.270 nan 0.000 0.521 460 L N 0.077 121.260 121.223 -0.068 0.000 2.168 460 L HA 0.060 4.403 4.340 0.006 0.000 0.203 460 L C 1.950 178.827 176.870 0.011 0.000 1.078 460 L CA 1.336 56.147 54.840 -0.049 0.000 0.780 460 L CB -0.569 41.414 42.059 -0.126 0.000 0.939 460 L HN 0.257 nan 8.230 nan 0.000 0.451 461 c N -0.709 117.897 118.600 0.010 0.000 2.450 461 c HA -0.019 4.554 4.570 0.006 0.000 0.279 461 c C 2.824 176.951 174.090 0.061 0.000 1.335 461 c CA 0.712 57.083 56.329 0.070 0.000 1.749 461 c CB -1.003 41.557 42.510 0.083 0.000 1.963 461 c HN 0.600 nan 8.230 nan 0.000 0.501 462 V N -0.599 119.317 119.914 0.003 0.000 2.809 462 V HA -0.044 4.079 4.120 0.006 0.000 0.256 462 V C 1.876 177.964 176.094 -0.011 0.000 1.080 462 V CA 1.757 64.040 62.300 -0.029 0.000 1.102 462 V CB -0.790 30.983 31.823 -0.084 0.000 0.705 462 V HN 0.582 nan 8.190 nan 0.000 0.475 463 L N -0.086 121.144 121.223 0.012 0.000 2.102 463 L HA 0.037 4.381 4.340 0.006 0.000 0.202 463 L C 2.743 179.637 176.870 0.040 0.000 1.076 463 L CA 1.860 56.709 54.840 0.015 0.000 0.761 463 L CB -0.781 41.285 42.059 0.012 0.000 0.921 463 L HN 0.430 nan 8.230 nan 0.000 0.444 464 H N 0.189 119.253 119.070 -0.009 0.000 2.457 464 H HA -0.202 4.358 4.556 0.006 0.000 0.294 464 H C 2.184 177.510 175.328 -0.004 0.000 1.064 464 H CA 1.743 57.792 56.048 0.002 0.000 1.330 464 H CB 0.251 30.026 29.762 0.022 0.000 1.395 464 H HN 0.303 nan 8.280 nan 0.000 0.541 465 E N 0.607 120.847 120.200 0.066 0.000 2.085 465 E HA -0.259 4.094 4.350 0.006 0.000 0.194 465 E C 2.169 178.729 176.600 -0.067 0.000 0.994 465 E CA 1.354 57.760 56.400 0.010 0.000 0.801 465 E CB -0.074 29.633 29.700 0.011 0.000 0.743 465 E HN 0.501 nan 8.360 nan 0.000 0.453 466 K N -0.507 119.856 120.400 -0.062 0.000 2.148 466 K HA -0.048 4.276 4.320 0.006 0.000 0.204 466 K C -0.007 176.536 176.600 -0.095 0.000 1.050 466 K CA 1.492 57.742 56.287 -0.063 0.000 0.942 466 K CB 0.266 32.742 32.500 -0.040 0.000 0.724 466 K HN -0.032 nan 8.250 nan 0.000 0.446 467 T N 3.105 117.569 114.554 -0.151 0.000 3.410 467 T HA 0.269 4.623 4.350 0.006 0.000 0.328 467 T C -2.768 171.706 174.700 -0.378 0.000 1.567 467 T CA -1.407 60.583 62.100 -0.183 0.000 1.626 467 T CB 1.531 70.328 68.868 -0.119 0.000 0.939 467 T HN 0.014 nan 8.240 nan 0.000 0.656 468 P HA 0.126 nan 4.420 nan 0.000 0.264 468 P C 0.967 178.092 177.300 -0.292 0.000 1.229 468 P CA -0.095 62.644 63.100 -0.602 0.000 0.780 468 P CB 0.654 32.233 31.700 -0.203 0.000 0.808 469 V N 0.804 120.595 119.914 -0.206 0.000 3.359 469 V HA 0.232 4.356 4.120 0.006 0.000 0.245 469 V C 0.728 176.929 176.094 0.179 0.000 1.247 469 V CA 0.477 62.803 62.300 0.043 0.000 1.145 469 V CB 0.199 32.049 31.823 0.044 0.000 0.906 469 V HN 0.394 nan 8.190 nan 0.000 0.464 470 S N 2.297 118.242 115.700 0.409 0.000 2.577 470 S HA 0.317 4.790 4.470 0.006 0.000 0.294 470 S C 0.626 175.302 174.600 0.126 0.000 1.161 470 S CA -0.046 58.272 58.200 0.196 0.000 1.143 470 S CB 0.621 63.874 63.200 0.089 0.000 0.991 470 S HN 0.656 nan 8.310 nan 0.000 0.475 471 D N 4.248 124.705 120.400 0.095 0.000 2.354 471 D HA -0.152 4.491 4.640 0.006 0.000 0.216 471 D C 1.575 177.858 176.300 -0.028 0.000 0.970 471 D CA 0.772 54.803 54.000 0.052 0.000 0.905 471 D CB -0.060 40.761 40.800 0.035 0.000 0.903 471 D HN 0.551 nan 8.370 nan 0.000 0.508 472 R N 0.464 120.929 120.500 -0.058 0.000 2.075 472 R HA -0.016 4.328 4.340 0.006 0.000 0.232 472 R C 2.288 178.469 176.300 -0.197 0.000 1.126 472 R CA 0.997 57.026 56.100 -0.118 0.000 0.963 472 R CB -0.478 29.757 30.300 -0.109 0.000 0.858 472 R HN 0.151 nan 8.270 nan 0.000 0.435 473 V N 0.839 120.620 119.914 -0.221 0.000 2.237 473 V HA -0.250 3.874 4.120 0.006 0.000 0.245 473 V C 2.169 178.123 176.094 -0.235 0.000 1.046 473 V CA 2.344 64.477 62.300 -0.280 0.000 1.007 473 V CB -0.797 30.698 31.823 -0.547 0.000 0.638 473 V HN 0.369 nan 8.190 nan 0.000 0.445 474 T N -0.280 114.154 114.554 -0.201 0.000 2.822 474 T HA -0.249 4.105 4.350 0.006 0.000 0.270 474 T C 1.973 176.646 174.700 -0.045 0.000 1.064 474 T CA 1.562 63.644 62.100 -0.030 0.000 1.131 474 T CB -0.254 68.671 68.868 0.095 0.000 0.858 474 T HN 0.313 nan 8.240 nan 0.000 0.483 475 K N 0.694 121.039 120.400 -0.092 0.000 2.025 475 K HA -0.038 4.286 4.320 0.006 0.000 0.207 475 K C 2.387 178.903 176.600 -0.140 0.000 1.049 475 K CA 1.101 57.328 56.287 -0.100 0.000 0.933 475 K CB -0.713 31.718 32.500 -0.114 0.000 0.714 475 K HN 0.353 nan 8.250 nan 0.000 0.438 476 c N 0.262 118.702 118.600 -0.268 0.000 2.432 476 c HA -0.055 4.518 4.570 0.006 0.000 0.280 476 c C 2.924 176.931 174.090 -0.138 0.000 1.353 476 c CA 0.327 56.419 56.329 -0.395 0.000 1.766 476 c CB -0.916 40.925 42.510 -1.115 0.000 1.924 476 c HN 0.581 nan 8.230 nan 0.000 0.509 477 c N 0.431 119.026 118.600 -0.009 0.000 2.505 477 c HA -0.038 4.535 4.570 0.006 0.000 0.279 477 c C 2.965 177.168 174.090 0.188 0.000 1.316 477 c CA 1.748 58.164 56.329 0.144 0.000 1.720 477 c CB -1.395 41.202 42.510 0.144 0.000 2.050 477 c HN 0.802 nan 8.230 nan 0.000 0.493 478 T N -1.148 113.467 114.554 0.101 0.000 2.937 478 T HA -0.098 4.255 4.350 0.006 0.000 0.260 478 T C 0.840 175.641 174.700 0.168 0.000 1.051 478 T CA 0.723 62.879 62.100 0.094 0.000 1.141 478 T CB -0.432 68.435 68.868 -0.001 0.000 0.879 478 T HN 0.560 nan 8.240 nan 0.000 0.459 479 E N 2.427 122.681 120.200 0.090 0.000 1.985 479 E HA 0.264 4.618 4.350 0.006 0.000 0.268 479 E C -0.391 176.260 176.600 0.085 0.000 1.219 479 E CA 0.018 56.460 56.400 0.069 0.000 0.942 479 E CB -0.449 29.247 29.700 -0.007 0.000 1.045 479 E HN 0.513 nan 8.360 nan 0.000 0.413 480 S N 2.759 118.550 115.700 0.151 0.000 3.547 480 S HA -0.232 4.242 4.470 0.006 0.000 0.832 480 S C 0.162 174.667 174.600 -0.158 0.000 1.254 480 S CA 0.278 58.486 58.200 0.014 0.000 0.991 480 S CB -0.297 62.886 63.200 -0.028 0.000 0.544 480 S HN 0.603 nan 8.310 nan 0.000 0.369 481 L N 3.977 124.944 121.223 -0.428 0.000 2.347 481 L HA 0.455 4.799 4.340 0.006 0.000 0.196 481 L C 1.452 178.177 176.870 -0.242 0.000 1.072 481 L CA 1.646 56.174 54.840 -0.519 0.000 0.817 481 L CB -0.415 41.107 42.059 -0.895 0.000 1.029 481 L HN 0.720 nan 8.230 nan 0.000 0.478 482 V N 1.541 121.333 119.914 -0.203 0.000 2.670 482 V HA 0.079 4.202 4.120 0.006 0.000 0.344 482 V C 0.678 176.714 176.094 -0.097 0.000 1.648 482 V CA 0.799 63.022 62.300 -0.128 0.000 1.673 482 V CB -1.743 30.008 31.823 -0.120 0.000 1.382 482 V HN 0.640 nan 8.190 nan 0.000 0.503 483 N N -0.399 118.255 118.700 -0.078 0.000 2.066 483 N HA 0.126 4.870 4.740 0.006 0.000 0.223 483 N C 1.399 176.896 175.510 -0.022 0.000 1.403 483 N CA -0.177 52.842 53.050 -0.053 0.000 0.766 483 N CB 0.331 38.782 38.487 -0.061 0.000 1.207 483 N HN 0.261 nan 8.380 nan 0.000 0.545 484 R N 0.949 121.459 120.500 0.016 0.000 2.051 484 R HA 0.209 4.552 4.340 0.006 0.000 0.225 484 R C 2.221 178.683 176.300 0.270 0.000 1.155 484 R CA 1.001 57.185 56.100 0.140 0.000 0.945 484 R CB -0.258 30.126 30.300 0.139 0.000 0.840 484 R HN 0.020 nan 8.270 nan 0.000 0.432 485 R N 0.468 121.071 120.500 0.171 0.000 2.096 485 R HA -0.090 4.254 4.340 0.006 0.000 0.240 485 R C -0.968 175.419 176.300 0.145 0.000 1.139 485 R CA 1.974 58.173 56.100 0.166 0.000 0.952 485 R CB -1.518 28.820 30.300 0.065 0.000 0.854 485 R HN 0.200 nan 8.270 nan 0.000 0.436 486 P HA -0.133 nan 4.420 nan 0.000 0.216 486 P C 1.734 179.038 177.300 0.007 0.000 1.150 486 P CA 1.098 64.211 63.100 0.021 0.000 0.843 486 P CB -0.337 31.353 31.700 -0.016 0.000 0.787 487 c N -1.869 116.720 118.600 -0.018 0.000 2.436 487 c HA -0.162 4.412 4.570 0.006 0.000 0.277 487 c C 2.451 176.426 174.090 -0.192 0.000 1.241 487 c CA 0.818 57.057 56.329 -0.150 0.000 1.721 487 c CB -2.017 40.324 42.510 -0.282 0.000 2.043 487 c HN 0.068 nan 8.230 nan 0.000 0.472 488 F N 1.391 121.285 119.950 -0.092 0.000 2.113 488 F HA -0.092 4.438 4.527 0.006 0.000 0.297 488 F C 2.799 178.494 175.800 -0.175 0.000 1.103 488 F CA 1.960 59.859 58.000 -0.168 0.000 1.248 488 F CB -0.838 38.063 39.000 -0.165 0.000 0.999 488 F HN 0.103 nan 8.300 nan 0.000 0.475 489 S N -0.097 115.679 115.700 0.127 0.000 2.419 489 S HA -0.194 4.279 4.470 0.006 0.000 0.235 489 S C 2.193 176.800 174.600 0.012 0.000 1.019 489 S CA 0.980 59.230 58.200 0.082 0.000 0.982 489 S CB -0.587 62.672 63.200 0.097 0.000 0.789 489 S HN 0.388 nan 8.310 nan 0.000 0.490 490 A N 0.841 123.648 122.820 -0.022 0.000 2.016 490 A HA 0.268 4.592 4.320 0.006 0.000 0.217 490 A C 0.869 178.408 177.584 -0.075 0.000 1.162 490 A CA 0.155 52.163 52.037 -0.047 0.000 0.662 490 A CB -0.386 18.578 19.000 -0.060 0.000 0.812 490 A HN 0.408 nan 8.150 nan 0.000 0.450 491 L N 0.697 121.852 121.223 -0.114 0.000 2.573 491 L HA 0.024 4.367 4.340 0.006 0.000 0.290 491 L C 0.702 177.514 176.870 -0.097 0.000 1.247 491 L CA 0.070 54.830 54.840 -0.134 0.000 0.876 491 L CB 0.176 42.122 42.059 -0.187 0.000 1.123 491 L HN 0.371 nan 8.230 nan 0.000 0.505 492 E N 0.733 120.883 120.200 -0.082 0.000 2.469 492 E HA 0.418 4.772 4.350 0.006 0.000 0.246 492 E C -0.336 176.228 176.600 -0.060 0.000 0.969 492 E CA -0.549 55.816 56.400 -0.058 0.000 0.881 492 E CB 1.319 30.994 29.700 -0.042 0.000 1.320 492 E HN 0.301 nan 8.360 nan 0.000 0.421 493 V N -1.217 118.672 119.914 -0.041 0.000 3.960 493 V HA 0.254 4.377 4.120 0.006 0.000 0.274 493 V C -0.058 176.015 176.094 -0.035 0.000 0.973 493 V CA -0.013 62.265 62.300 -0.038 0.000 0.981 493 V CB 0.201 32.012 31.823 -0.019 0.000 1.222 493 V HN 0.610 nan 8.190 nan 0.000 0.437 494 D N -1.457 118.932 120.400 -0.019 0.000 2.323 494 D HA 0.334 4.977 4.640 0.006 0.000 0.242 494 D C 0.142 176.469 176.300 0.046 0.000 1.347 494 D CA -0.348 53.655 54.000 0.005 0.000 0.988 494 D CB 1.508 42.303 40.800 -0.008 0.000 1.314 494 D HN 0.661 nan 8.370 nan 0.000 0.564 495 E N 0.103 120.324 120.200 0.035 0.000 2.482 495 E HA -0.004 4.350 4.350 0.006 0.000 0.196 495 E C 1.491 178.121 176.600 0.051 0.000 1.047 495 E CA 0.618 57.043 56.400 0.041 0.000 0.869 495 E CB 0.350 30.062 29.700 0.020 0.000 0.836 495 E HN 0.441 nan 8.360 nan 0.000 0.520 496 T N -1.964 112.627 114.554 0.063 0.000 3.244 496 T HA 0.062 4.416 4.350 0.006 0.000 0.254 496 T C -0.246 174.515 174.700 0.102 0.000 1.024 496 T CA -0.518 61.617 62.100 0.058 0.000 0.920 496 T CB -0.430 68.462 68.868 0.040 0.000 1.042 496 T HN 0.023 nan 8.240 nan 0.000 0.572 497 Y N 1.843 122.136 120.300 -0.012 0.000 2.335 497 Y HA 0.543 5.097 4.550 0.006 0.000 0.339 497 Y C -0.523 175.368 175.900 -0.015 0.000 0.987 497 Y CA -1.783 56.311 58.100 -0.010 0.000 1.140 497 Y CB 1.197 39.652 38.460 -0.008 0.000 1.173 497 Y HN 0.035 nan 8.280 nan 0.000 0.486 498 V N 9.180 128.762 119.914 -0.553 0.000 2.387 498 V HA 0.191 4.314 4.120 0.006 0.000 0.260 498 V C -2.051 173.624 176.094 -0.698 0.000 1.054 498 V CA -1.874 60.151 62.300 -0.459 0.000 0.967 498 V CB -0.128 31.512 31.823 -0.304 0.000 1.036 498 V HN 0.747 nan 8.190 nan 0.000 0.481 499 P HA -0.075 nan 4.420 nan 0.000 0.257 499 P C 0.198 177.362 177.300 -0.227 0.000 1.153 499 P CA 0.356 63.318 63.100 -0.229 0.000 0.762 499 P CB 0.299 31.883 31.700 -0.193 0.000 0.743 500 K N 3.649 124.001 120.400 -0.079 0.000 2.518 500 K HA -0.059 4.264 4.320 0.006 0.000 0.276 500 K C 0.327 176.968 176.600 0.069 0.000 0.974 500 K CA 0.046 56.344 56.287 0.018 0.000 0.986 500 K CB 0.348 32.950 32.500 0.169 0.000 0.901 500 K HN 0.408 nan 8.250 nan 0.000 0.497 501 E N 3.887 124.138 120.200 0.085 0.000 2.417 501 E HA -0.125 4.229 4.350 0.006 0.000 0.261 501 E C 0.747 177.526 176.600 0.299 0.000 1.000 501 E CA 0.218 56.714 56.400 0.159 0.000 0.919 501 E CB 0.246 30.010 29.700 0.106 0.000 0.955 501 E HN 0.522 nan 8.360 nan 0.000 0.455 502 F N 3.844 123.960 119.950 0.276 0.000 2.195 502 F HA -0.403 4.128 4.527 0.006 0.000 0.302 502 F C 1.030 176.976 175.800 0.244 0.000 1.249 502 F CA 2.712 60.918 58.000 0.343 0.000 1.254 502 F CB -0.165 38.975 39.000 0.233 0.000 0.917 502 F HN 0.759 nan 8.300 nan 0.000 0.566 503 N N -2.372 116.668 118.700 0.567 0.000 2.400 503 N HA -0.105 4.638 4.740 0.006 0.000 0.278 503 N C -0.154 175.512 175.510 0.259 0.000 1.405 503 N CA 0.513 53.735 53.050 0.286 0.000 0.709 503 N CB -0.865 37.651 38.487 0.048 0.000 0.896 503 N HN 0.676 nan 8.380 nan 0.000 0.495 504 A N 3.220 126.299 122.820 0.432 0.000 1.968 504 A HA -0.080 4.244 4.320 0.006 0.000 0.217 504 A C 1.716 179.359 177.584 0.098 0.000 1.169 504 A CA 1.659 53.946 52.037 0.417 0.000 0.638 504 A CB -0.308 18.906 19.000 0.357 0.000 0.812 504 A HN 0.808 nan 8.150 nan 0.000 0.446 505 E N -0.354 119.857 120.200 0.019 0.000 2.267 505 E HA -0.165 4.189 4.350 0.006 0.000 0.197 505 E C 1.631 178.102 176.600 -0.215 0.000 0.998 505 E CA 1.527 57.894 56.400 -0.055 0.000 0.830 505 E CB -0.093 29.587 29.700 -0.034 0.000 0.751 505 E HN 0.596 nan 8.360 nan 0.000 0.491 506 T N 0.126 114.461 114.554 -0.364 0.000 2.643 506 T HA -0.100 4.254 4.350 0.006 0.000 0.256 506 T C 0.708 174.912 174.700 -0.826 0.000 1.061 506 T CA 1.121 62.814 62.100 -0.678 0.000 1.163 506 T CB -0.309 67.901 68.868 -1.097 0.000 0.865 506 T HN 0.172 nan 8.240 nan 0.000 0.407 507 F N 2.277 122.027 119.950 -0.333 0.000 2.778 507 F HA 0.290 4.821 4.527 0.006 0.000 0.295 507 F C 0.604 176.257 175.800 -0.244 0.000 1.262 507 F CA -0.070 57.764 58.000 -0.276 0.000 1.429 507 F CB -0.936 37.966 39.000 -0.163 0.000 1.072 507 F HN -0.094 nan 8.300 nan 0.000 0.514 508 T N 0.897 115.192 114.554 -0.432 0.000 2.815 508 T HA 0.534 4.888 4.350 0.006 0.000 0.289 508 T C -0.651 173.633 174.700 -0.693 0.000 1.000 508 T CA -0.327 61.597 62.100 -0.293 0.000 0.958 508 T CB 0.747 69.544 68.868 -0.118 0.000 0.944 508 T HN -0.115 nan 8.240 nan 0.000 0.442 509 F N 1.773 121.642 119.950 -0.136 0.000 2.556 509 F HA 0.694 5.225 4.527 0.006 0.000 0.327 509 F C 0.516 175.918 175.800 -0.663 0.000 1.059 509 F CA -0.948 56.903 58.000 -0.247 0.000 0.953 509 F CB 1.668 40.818 39.000 0.250 0.000 1.227 509 F HN 0.562 nan 8.300 nan 0.000 0.478 510 H N -1.028 117.900 119.070 -0.238 0.000 2.949 510 H HA 0.560 5.120 4.556 0.006 0.000 0.356 510 H C 0.335 174.966 175.328 -1.162 0.000 1.212 510 H CA -0.660 55.019 56.048 -0.615 0.000 1.136 510 H CB 1.325 30.963 29.762 -0.205 0.000 1.869 510 H HN 0.616 nan 8.280 nan 0.000 0.556 511 A N 0.351 122.721 122.820 -0.751 0.000 2.139 511 A HA -0.253 4.070 4.320 0.006 0.000 0.221 511 A C 1.954 179.409 177.584 -0.214 0.000 1.159 511 A CA 1.932 53.724 52.037 -0.408 0.000 0.662 511 A CB -0.751 18.253 19.000 0.007 0.000 0.796 511 A HN 0.901 nan 8.150 nan 0.000 0.463 512 D N 0.526 120.826 120.400 -0.166 0.000 2.190 512 D HA -0.205 4.438 4.640 0.006 0.000 0.200 512 D C 1.578 177.841 176.300 -0.062 0.000 0.992 512 D CA 1.655 55.611 54.000 -0.074 0.000 0.854 512 D CB -0.159 40.622 40.800 -0.031 0.000 0.936 512 D HN 0.397 nan 8.370 nan 0.000 0.462 513 I N 1.197 121.697 120.570 -0.117 0.000 2.361 513 I HA -0.222 3.952 4.170 0.006 0.000 0.251 513 I C 2.778 178.881 176.117 -0.024 0.000 1.133 513 I CA 0.435 61.709 61.300 -0.043 0.000 1.413 513 I CB -1.650 36.327 38.000 -0.038 0.000 1.073 513 I HN 0.257 nan 8.210 nan 0.000 0.424 514 c N 0.678 119.265 118.600 -0.021 0.000 2.440 514 c HA -0.089 4.484 4.570 0.006 0.000 0.278 514 c C 2.473 176.563 174.090 0.001 0.000 1.295 514 c CA 1.339 57.676 56.329 0.015 0.000 1.738 514 c CB -1.376 41.171 42.510 0.061 0.000 1.987 514 c HN 0.616 nan 8.230 nan 0.000 0.492 515 T N -1.689 112.863 114.554 -0.003 0.000 3.366 515 T HA 0.350 4.703 4.350 0.006 0.000 0.249 515 T C -0.096 174.604 174.700 0.000 0.000 1.028 515 T CA 0.126 62.225 62.100 -0.000 0.000 0.938 515 T CB -0.503 68.365 68.868 -0.000 0.000 1.046 515 T HN 0.051 nan 8.240 nan 0.000 0.587 516 L N 1.506 122.729 121.223 -0.000 0.000 2.334 516 L HA 0.601 4.945 4.340 0.006 0.000 0.272 516 L C 0.620 177.491 176.870 0.001 0.000 1.020 516 L CA -0.664 54.179 54.840 0.005 0.000 0.812 516 L CB 1.709 43.776 42.059 0.012 0.000 1.264 516 L HN 0.316 nan 8.230 nan 0.000 0.439 517 S N 0.513 116.217 115.700 0.006 0.000 2.576 517 S HA -0.002 4.471 4.470 0.006 0.000 0.272 517 S C 1.206 175.804 174.600 -0.003 0.000 1.352 517 S CA -0.019 58.183 58.200 0.004 0.000 1.021 517 S CB 0.531 63.738 63.200 0.011 0.000 0.887 517 S HN 0.643 nan 8.310 nan 0.000 0.542 518 E N 2.424 122.617 120.200 -0.011 0.000 2.209 518 E HA -0.136 4.218 4.350 0.006 0.000 0.196 518 E C 1.577 178.165 176.600 -0.020 0.000 0.993 518 E CA 1.847 58.230 56.400 -0.028 0.000 0.819 518 E CB -0.008 29.672 29.700 -0.033 0.000 0.745 518 E HN 0.703 nan 8.360 nan 0.000 0.477 519 K N -0.370 120.033 120.400 0.005 0.000 2.121 519 K HA -0.012 4.312 4.320 0.006 0.000 0.203 519 K C 2.006 178.630 176.600 0.039 0.000 1.041 519 K CA 0.897 57.200 56.287 0.026 0.000 0.969 519 K CB -0.124 32.397 32.500 0.035 0.000 0.799 519 K HN 0.251 nan 8.250 nan 0.000 0.456 520 E N 1.457 121.677 120.200 0.033 0.000 2.396 520 E HA -0.241 4.112 4.350 0.006 0.000 0.200 520 E C 1.959 178.588 176.600 0.048 0.000 1.023 520 E CA 0.990 57.414 56.400 0.040 0.000 0.857 520 E CB -0.043 29.675 29.700 0.031 0.000 0.775 520 E HN 0.169 nan 8.360 nan 0.000 0.525 521 R N 0.772 121.294 120.500 0.037 0.000 2.090 521 R HA -0.026 4.317 4.340 0.006 0.000 0.219 521 R C 2.247 178.583 176.300 0.060 0.000 1.100 521 R CA 0.783 56.907 56.100 0.040 0.000 0.991 521 R CB 0.059 30.361 30.300 0.004 0.000 0.893 521 R HN 0.139 nan 8.270 nan 0.000 0.443 522 Q N 0.609 120.437 119.800 0.046 0.000 2.030 522 Q HA -0.177 4.166 4.340 0.006 0.000 0.204 522 Q C 2.107 178.210 176.000 0.172 0.000 0.986 522 Q CA 2.151 58.016 55.803 0.103 0.000 0.843 522 Q CB -0.191 28.600 28.738 0.089 0.000 0.904 522 Q HN 0.424 nan 8.270 nan 0.000 0.420 523 I N 0.785 121.430 120.570 0.125 0.000 2.502 523 I HA -0.296 3.878 4.170 0.006 0.000 0.258 523 I C 2.113 178.296 176.117 0.110 0.000 1.172 523 I CA 0.918 62.283 61.300 0.107 0.000 1.430 523 I CB -0.317 37.728 38.000 0.075 0.000 1.086 523 I HN 0.126 nan 8.210 nan 0.000 0.440 524 K N 1.129 121.605 120.400 0.126 0.000 2.076 524 K HA -0.055 4.269 4.320 0.006 0.000 0.204 524 K C 2.023 178.724 176.600 0.168 0.000 1.051 524 K CA 0.981 57.364 56.287 0.160 0.000 0.949 524 K CB -0.210 32.399 32.500 0.183 0.000 0.726 524 K HN 0.325 nan 8.250 nan 0.000 0.443 525 K N 1.026 121.537 120.400 0.186 0.000 2.032 525 K HA -0.161 4.163 4.320 0.006 0.000 0.209 525 K C 2.212 178.893 176.600 0.135 0.000 1.048 525 K CA 1.318 57.729 56.287 0.208 0.000 0.927 525 K CB 0.013 32.707 32.500 0.324 0.000 0.712 525 K HN 0.157 nan 8.250 nan 0.000 0.441 526 Q N 0.153 120.038 119.800 0.142 0.000 1.975 526 Q HA -0.160 4.184 4.340 0.006 0.000 0.205 526 Q C 2.296 178.325 176.000 0.049 0.000 0.990 526 Q CA 2.151 57.998 55.803 0.072 0.000 0.845 526 Q CB -1.028 27.750 28.738 0.066 0.000 0.913 526 Q HN 0.361 nan 8.270 nan 0.000 0.420 527 T N 1.993 116.583 114.554 0.060 0.000 2.699 527 T HA -0.191 4.163 4.350 0.006 0.000 0.268 527 T C 1.996 176.721 174.700 0.041 0.000 1.036 527 T CA 1.704 63.830 62.100 0.043 0.000 1.147 527 T CB -0.484 68.414 68.868 0.049 0.000 0.862 527 T HN 0.469 nan 8.240 nan 0.000 0.446 528 A N 1.709 124.574 122.820 0.075 0.000 1.859 528 A HA -0.077 4.246 4.320 0.006 0.000 0.217 528 A C 2.292 179.917 177.584 0.067 0.000 1.198 528 A CA 1.782 53.869 52.037 0.084 0.000 0.629 528 A CB -1.013 17.995 19.000 0.013 0.000 0.830 528 A HN 0.422 nan 8.150 nan 0.000 0.446 529 L N 0.229 121.470 121.223 0.030 0.000 2.042 529 L HA -0.148 4.196 4.340 0.006 0.000 0.210 529 L C 2.343 179.238 176.870 0.042 0.000 1.076 529 L CA 2.230 57.087 54.840 0.030 0.000 0.749 529 L CB -0.667 41.396 42.059 0.007 0.000 0.893 529 L HN 0.194 nan 8.230 nan 0.000 0.432 530 V N -0.326 119.606 119.914 0.030 0.000 2.223 530 V HA -0.237 3.886 4.120 0.006 0.000 0.244 530 V C 2.551 178.676 176.094 0.051 0.000 1.045 530 V CA 1.922 64.236 62.300 0.024 0.000 1.000 530 V CB -0.977 30.851 31.823 0.008 0.000 0.635 530 V HN 0.427 nan 8.190 nan 0.000 0.445 531 E N -0.061 120.167 120.200 0.047 0.000 2.273 531 E HA -0.235 4.119 4.350 0.006 0.000 0.198 531 E C 2.051 178.778 176.600 0.211 0.000 1.002 531 E CA 1.237 57.672 56.400 0.059 0.000 0.828 531 E CB -0.281 29.359 29.700 -0.099 0.000 0.747 531 E HN 0.584 nan 8.360 nan 0.000 0.491 532 L N 0.272 121.635 121.223 0.234 0.000 1.993 532 L HA -0.161 4.183 4.340 0.006 0.000 0.206 532 L C 2.388 179.355 176.870 0.162 0.000 1.074 532 L CA 0.915 55.889 54.840 0.224 0.000 0.746 532 L CB -0.229 41.900 42.059 0.117 0.000 0.896 532 L HN -0.056 nan 8.230 nan 0.000 0.435 533 V N 0.346 120.320 119.914 0.101 0.000 2.392 533 V HA -0.327 3.796 4.120 0.006 0.000 0.249 533 V C 2.416 178.570 176.094 0.101 0.000 1.059 533 V CA 2.070 64.415 62.300 0.075 0.000 1.051 533 V CB -0.849 30.989 31.823 0.026 0.000 0.658 533 V HN 0.470 nan 8.190 nan 0.000 0.455 534 K N -0.370 120.099 120.400 0.114 0.000 2.280 534 K HA -0.223 4.101 4.320 0.006 0.000 0.202 534 K C 2.102 178.895 176.600 0.321 0.000 1.047 534 K CA 1.697 58.084 56.287 0.167 0.000 0.942 534 K CB -0.320 32.267 32.500 0.145 0.000 0.739 534 K HN 0.679 nan 8.250 nan 0.000 0.457 535 H N 1.693 120.863 119.070 0.166 0.000 2.436 535 H HA -0.017 4.542 4.556 0.006 0.000 0.294 535 H C 0.097 175.491 175.328 0.109 0.000 1.048 535 H CA 1.172 57.302 56.048 0.136 0.000 1.353 535 H CB 0.393 30.207 29.762 0.087 0.000 1.414 535 H HN -0.019 nan 8.280 nan 0.000 0.536 536 K N -1.682 118.772 120.400 0.090 0.000 3.394 536 K HA 0.292 4.615 4.320 0.006 0.000 0.175 536 K C -2.453 174.189 176.600 0.069 0.000 1.047 536 K CA -1.411 54.891 56.287 0.024 0.000 0.814 536 K CB 0.725 33.273 32.500 0.081 0.000 0.803 536 K HN 0.029 nan 8.250 nan 0.000 0.522 537 P HA -0.287 nan 4.420 nan 0.000 0.226 537 P C -0.068 177.261 177.300 0.048 0.000 1.154 537 P CA 1.471 64.619 63.100 0.079 0.000 0.918 537 P CB 0.146 31.924 31.700 0.130 0.000 0.790 538 K N -0.616 119.812 120.400 0.046 0.000 3.277 538 K HA 0.297 4.621 4.320 0.006 0.000 0.291 538 K C 0.175 176.790 176.600 0.026 0.000 0.994 538 K CA -0.033 56.273 56.287 0.031 0.000 1.147 538 K CB -0.867 31.649 32.500 0.026 0.000 1.185 538 K HN 0.124 nan 8.250 nan 0.000 0.422 539 A N -0.162 122.675 122.820 0.028 0.000 2.342 539 A HA 0.464 4.788 4.320 0.006 0.000 0.323 539 A C 0.097 177.693 177.584 0.019 0.000 1.125 539 A CA -0.662 51.390 52.037 0.025 0.000 0.785 539 A CB 0.973 19.993 19.000 0.033 0.000 1.221 539 A HN 0.267 nan 8.150 nan 0.000 0.463 540 T N -0.071 114.493 114.554 0.017 0.000 2.766 540 T HA 0.181 4.535 4.350 0.006 0.000 0.295 540 T C 1.317 176.025 174.700 0.013 0.000 1.024 540 T CA 0.337 62.445 62.100 0.014 0.000 1.018 540 T CB 0.604 69.480 68.868 0.013 0.000 1.002 540 T HN 0.689 nan 8.240 nan 0.000 0.532 541 K N 0.752 121.159 120.400 0.012 0.000 2.098 541 K HA 0.009 4.333 4.320 0.006 0.000 0.203 541 K C 2.131 178.739 176.600 0.014 0.000 1.051 541 K CA 1.515 57.808 56.287 0.010 0.000 0.957 541 K CB -0.268 32.236 32.500 0.007 0.000 0.738 541 K HN 0.713 nan 8.250 nan 0.000 0.447 542 E N 0.821 121.030 120.200 0.015 0.000 2.273 542 E HA -0.264 4.089 4.350 0.006 0.000 0.198 542 E C 1.761 178.372 176.600 0.019 0.000 1.002 542 E CA 1.361 57.771 56.400 0.017 0.000 0.828 542 E CB -0.284 29.425 29.700 0.016 0.000 0.747 542 E HN 0.560 nan 8.360 nan 0.000 0.491 543 Q N 0.245 120.056 119.800 0.017 0.000 2.089 543 Q HA 0.084 4.427 4.340 0.006 0.000 0.195 543 Q C 2.597 178.609 176.000 0.020 0.000 0.963 543 Q CA 0.568 56.382 55.803 0.018 0.000 0.834 543 Q CB 0.037 28.785 28.738 0.016 0.000 0.906 543 Q HN 0.247 nan 8.270 nan 0.000 0.452 544 L N 0.877 122.111 121.223 0.018 0.000 1.976 544 L HA -0.173 4.170 4.340 0.006 0.000 0.209 544 L C 2.050 178.937 176.870 0.030 0.000 1.071 544 L CA 1.043 55.894 54.840 0.019 0.000 0.746 544 L CB -0.403 41.664 42.059 0.013 0.000 0.890 544 L HN 0.084 nan 8.230 nan 0.000 0.432 545 K N 0.864 121.281 120.400 0.027 0.000 2.720 545 K HA -0.050 4.274 4.320 0.006 0.000 0.206 545 K C 0.675 177.300 176.600 0.043 0.000 1.000 545 K CA 0.954 57.262 56.287 0.036 0.000 1.067 545 K CB -0.097 32.419 32.500 0.027 0.000 0.861 545 K HN 0.320 nan 8.250 nan 0.000 0.492 546 A N -1.468 121.378 122.820 0.043 0.000 1.852 546 A HA 0.135 4.459 4.320 0.006 0.000 0.205 546 A C 1.649 179.268 177.584 0.058 0.000 1.757 546 A CA 0.245 52.309 52.037 0.045 0.000 1.088 546 A CB -0.035 18.984 19.000 0.032 0.000 1.079 546 A HN 0.059 nan 8.150 nan 0.000 0.524 547 V N 0.377 120.322 119.914 0.051 0.000 2.469 547 V HA -0.285 3.839 4.120 0.006 0.000 0.251 547 V C 2.542 178.704 176.094 0.113 0.000 1.064 547 V CA 2.466 64.803 62.300 0.061 0.000 1.066 547 V CB -0.644 31.193 31.823 0.024 0.000 0.667 547 V HN 0.563 nan 8.190 nan 0.000 0.461 548 M N -0.217 119.450 119.600 0.111 0.000 2.156 548 M HA -0.073 4.410 4.480 0.006 0.000 0.264 548 M C 1.732 178.152 176.300 0.201 0.000 1.067 548 M CA 1.519 56.921 55.300 0.170 0.000 1.131 548 M CB -0.716 31.961 32.600 0.129 0.000 1.368 548 M HN 0.283 nan 8.290 nan 0.000 0.416 549 D N 0.375 120.854 120.400 0.132 0.000 2.123 549 D HA -0.179 4.465 4.640 0.006 0.000 0.196 549 D C 1.528 177.889 176.300 0.101 0.000 0.992 549 D CA 1.445 55.507 54.000 0.102 0.000 0.833 549 D CB -0.434 40.408 40.800 0.070 0.000 0.954 549 D HN 0.364 nan 8.370 nan 0.000 0.455 550 D N 0.260 120.729 120.400 0.115 0.000 2.087 550 D HA -0.178 4.466 4.640 0.006 0.000 0.192 550 D C 1.940 178.349 176.300 0.182 0.000 0.993 550 D CA 0.572 54.642 54.000 0.117 0.000 0.828 550 D CB -0.751 40.112 40.800 0.104 0.000 0.968 550 D HN 0.205 nan 8.370 nan 0.000 0.448 551 F N 1.893 121.902 119.950 0.099 0.000 2.095 551 F HA -0.207 4.323 4.527 0.006 0.000 0.298 551 F C 2.255 178.111 175.800 0.095 0.000 1.104 551 F CA 1.766 59.861 58.000 0.157 0.000 1.232 551 F CB -0.436 38.620 39.000 0.094 0.000 0.987 551 F HN -0.047 nan 8.300 nan 0.000 0.475 552 A N 0.466 123.247 122.820 -0.065 0.000 1.908 552 A HA -0.086 4.237 4.320 0.006 0.000 0.218 552 A C 2.351 179.812 177.584 -0.206 0.000 1.181 552 A CA 1.914 53.830 52.037 -0.202 0.000 0.627 552 A CB -1.615 17.375 19.000 -0.017 0.000 0.818 552 A HN 0.552 nan 8.150 nan 0.000 0.445 553 A N -1.801 120.971 122.820 -0.080 0.000 2.168 553 A HA 0.198 4.521 4.320 0.006 0.000 0.215 553 A C 1.795 179.350 177.584 -0.048 0.000 1.152 553 A CA 1.259 53.261 52.037 -0.059 0.000 0.716 553 A CB -0.538 18.458 19.000 -0.006 0.000 0.794 553 A HN 0.735 nan 8.150 nan 0.000 0.465 554 F N -0.416 119.394 119.950 -0.234 0.000 2.164 554 F HA 0.024 4.554 4.527 0.006 0.000 0.287 554 F C 2.033 177.602 175.800 -0.384 0.000 1.086 554 F CA 1.421 59.261 58.000 -0.266 0.000 1.249 554 F CB -0.730 38.152 39.000 -0.196 0.000 1.059 554 F HN -0.000 nan 8.300 nan 0.000 0.490 555 V N 1.576 120.820 119.914 -1.118 0.000 2.568 555 V HA -0.231 3.893 4.120 0.006 0.000 0.253 555 V C 2.262 178.011 176.094 -0.574 0.000 1.072 555 V CA 2.532 64.202 62.300 -1.050 0.000 1.084 555 V CB -0.737 30.532 31.823 -0.924 0.000 0.676 555 V HN 0.633 nan 8.190 nan 0.000 0.469 556 E N -0.318 119.631 120.200 -0.418 0.000 2.478 556 E HA -0.152 4.202 4.350 0.006 0.000 0.194 556 E C 2.007 178.483 176.600 -0.207 0.000 1.045 556 E CA 0.662 56.913 56.400 -0.249 0.000 0.868 556 E CB 0.094 29.684 29.700 -0.183 0.000 0.885 556 E HN 0.696 nan 8.360 nan 0.000 0.505 557 K N -0.371 119.878 120.400 -0.251 0.000 2.202 557 K HA 0.082 4.405 4.320 0.006 0.000 0.201 557 K C 1.185 177.657 176.600 -0.213 0.000 1.051 557 K CA 0.740 56.928 56.287 -0.165 0.000 0.977 557 K CB 0.209 32.668 32.500 -0.067 0.000 0.792 557 K HN 0.093 nan 8.250 nan 0.000 0.469 558 c N 0.625 118.967 118.600 -0.429 0.000 2.559 558 c HA 0.250 4.823 4.570 0.006 0.000 0.300 558 c C 1.223 175.155 174.090 -0.264 0.000 1.288 558 c CA -0.558 55.474 56.329 -0.493 0.000 1.699 558 c CB -1.429 40.378 42.510 -1.171 0.000 1.819 558 c HN 0.560 nan 8.230 nan 0.000 0.600 559 c N -0.322 118.179 118.600 -0.166 0.000 3.336 559 c HA 0.184 4.757 4.570 0.006 0.000 0.291 559 c C 1.940 176.007 174.090 -0.038 0.000 1.363 559 c CA 0.131 56.438 56.329 -0.036 0.000 1.737 559 c CB -0.537 41.948 42.510 -0.042 0.000 2.274 559 c HN 0.574 nan 8.230 nan 0.000 0.663 560 K N 1.157 121.519 120.400 -0.062 0.000 2.477 560 K HA 0.421 4.745 4.320 0.006 0.000 0.208 560 K C 0.465 177.045 176.600 -0.033 0.000 1.117 560 K CA 0.194 56.455 56.287 -0.043 0.000 1.039 560 K CB 0.206 32.675 32.500 -0.052 0.000 0.937 560 K HN 0.204 nan 8.250 nan 0.000 0.570 561 A N 1.613 124.410 122.820 -0.039 0.000 2.444 561 A HA 0.135 4.459 4.320 0.006 0.000 0.273 561 A C 0.683 178.265 177.584 -0.002 0.000 1.136 561 A CA 0.274 52.297 52.037 -0.024 0.000 0.799 561 A CB -0.143 18.837 19.000 -0.033 0.000 1.081 561 A HN 0.463 nan 8.150 nan 0.000 0.509 562 D N 1.639 122.039 120.400 0.000 0.000 2.164 562 D HA -0.267 4.376 4.640 0.006 0.000 0.595 562 D C 0.112 176.422 176.300 0.016 0.000 0.823 562 D CA 2.722 56.726 54.000 0.007 0.000 1.672 562 D CB 0.028 40.834 40.800 0.009 0.000 0.508 562 D HN 0.639 nan 8.370 nan 0.000 0.376 563 D N -0.851 119.564 120.400 0.025 0.000 2.429 563 D HA 0.335 4.978 4.640 0.006 0.000 0.255 563 D C -1.416 174.916 176.300 0.053 0.000 1.257 563 D CA -0.443 53.579 54.000 0.037 0.000 0.890 563 D CB 0.379 41.198 40.800 0.033 0.000 1.267 563 D HN -0.091 nan 8.370 nan 0.000 0.521 564 K N 1.472 121.912 120.400 0.067 0.000 2.507 564 K HA 0.382 4.706 4.320 0.006 0.000 0.253 564 K C -0.060 176.650 176.600 0.183 0.000 0.969 564 K CA -0.403 55.941 56.287 0.095 0.000 0.908 564 K CB 1.316 33.845 32.500 0.049 0.000 1.127 564 K HN 0.054 nan 8.250 nan 0.000 0.437 565 E N -0.431 119.886 120.200 0.195 0.000 2.526 565 E HA 0.004 4.358 4.350 0.006 0.000 0.208 565 E C 0.859 177.618 176.600 0.265 0.000 0.997 565 E CA 0.203 56.769 56.400 0.276 0.000 0.961 565 E CB 0.724 30.526 29.700 0.171 0.000 1.030 565 E HN 0.617 nan 8.360 nan 0.000 0.483 566 T N -2.318 112.351 114.554 0.192 0.000 3.044 566 T HA -0.070 4.283 4.350 0.006 0.000 0.255 566 T C 2.037 176.832 174.700 0.159 0.000 1.073 566 T CA 0.656 62.848 62.100 0.153 0.000 1.125 566 T CB -0.574 68.353 68.868 0.099 0.000 0.908 566 T HN 0.407 nan 8.240 nan 0.000 0.480 567 c N -0.568 118.124 118.600 0.154 0.000 2.634 567 c HA 0.444 5.018 4.570 0.006 0.000 0.268 567 c C 2.108 176.318 174.090 0.199 0.000 1.322 567 c CA -0.746 55.653 56.329 0.117 0.000 1.737 567 c CB -2.154 40.384 42.510 0.047 0.000 1.976 567 c HN 0.309 nan 8.230 nan 0.000 0.547 568 F N 2.224 122.336 119.950 0.269 0.000 2.408 568 F HA 0.087 4.618 4.527 0.006 0.000 0.300 568 F C 2.450 178.406 175.800 0.261 0.000 1.090 568 F CA 1.517 59.747 58.000 0.383 0.000 1.427 568 F CB -0.113 39.036 39.000 0.249 0.000 1.070 568 F HN 0.398 nan 8.300 nan 0.000 0.549 569 A N -1.660 121.355 122.820 0.326 0.000 2.382 569 A HA 0.161 4.484 4.320 0.006 0.000 0.228 569 A C 1.939 179.595 177.584 0.120 0.000 1.217 569 A CA 0.064 52.225 52.037 0.206 0.000 0.923 569 A CB 0.063 19.178 19.000 0.191 0.000 0.979 569 A HN 0.154 nan 8.150 nan 0.000 0.515 570 E N 0.045 120.305 120.200 0.101 0.000 2.134 570 E HA -0.017 4.336 4.350 0.006 0.000 0.194 570 E C 1.198 177.785 176.600 -0.021 0.000 0.937 570 E CA 0.506 56.930 56.400 0.041 0.000 0.874 570 E CB -0.139 29.587 29.700 0.044 0.000 0.853 570 E HN 0.449 nan 8.360 nan 0.000 0.471 571 E N 0.736 120.906 120.200 -0.050 0.000 2.216 571 E HA -0.033 4.321 4.350 0.006 0.000 0.192 571 E C 2.015 178.313 176.600 -0.504 0.000 0.988 571 E CA 0.750 57.022 56.400 -0.213 0.000 0.834 571 E CB -0.192 29.425 29.700 -0.139 0.000 0.772 571 E HN 0.275 nan 8.360 nan 0.000 0.479 572 G N 1.661 110.228 108.800 -0.388 0.000 2.421 572 G HA2 -0.264 3.699 3.960 0.006 0.000 0.217 572 G HA3 -0.264 3.699 3.960 0.006 0.000 0.217 572 G C 1.621 176.461 174.900 -0.100 0.000 1.143 572 G CA 0.677 45.589 45.100 -0.313 0.000 0.784 572 G HN 0.219 nan 8.290 nan 0.000 0.541 573 K N 0.589 120.965 120.400 -0.041 0.000 2.057 573 K HA -0.070 4.253 4.320 0.006 0.000 0.207 573 K C 2.409 178.985 176.600 -0.041 0.000 1.049 573 K CA 1.290 57.573 56.287 -0.007 0.000 0.931 573 K CB -0.126 32.380 32.500 0.010 0.000 0.714 573 K HN 0.217 nan 8.250 nan 0.000 0.440 574 K N 0.752 121.099 120.400 -0.087 0.000 2.057 574 K HA -0.105 4.219 4.320 0.006 0.000 0.206 574 K C 2.182 178.724 176.600 -0.096 0.000 1.050 574 K CA 1.184 57.420 56.287 -0.086 0.000 0.935 574 K CB -0.200 32.242 32.500 -0.097 0.000 0.715 574 K HN 0.153 nan 8.250 nan 0.000 0.439 575 L N 1.142 122.264 121.223 -0.168 0.000 1.970 575 L HA -0.237 4.107 4.340 0.006 0.000 0.212 575 L C 2.143 178.986 176.870 -0.044 0.000 1.071 575 L CA 1.367 56.127 54.840 -0.132 0.000 0.751 575 L CB -0.264 41.653 42.059 -0.237 0.000 0.889 575 L HN -0.025 nan 8.230 nan 0.000 0.432 576 V N 0.457 120.364 119.914 -0.011 0.000 2.231 576 V HA -0.357 3.766 4.120 0.006 0.000 0.248 576 V C 2.814 178.915 176.094 0.012 0.000 1.054 576 V CA 1.996 64.312 62.300 0.027 0.000 1.015 576 V CB -1.371 30.518 31.823 0.111 0.000 0.638 576 V HN 0.631 nan 8.190 nan 0.000 0.444 577 A N -0.433 122.389 122.820 0.004 0.000 2.024 577 A HA -0.057 4.267 4.320 0.006 0.000 0.220 577 A C 2.317 179.893 177.584 -0.013 0.000 1.164 577 A CA 2.139 54.172 52.037 -0.007 0.000 0.643 577 A CB -0.587 18.404 19.000 -0.015 0.000 0.806 577 A HN 0.611 nan 8.150 nan 0.000 0.451 578 A N -0.824 121.984 122.820 -0.020 0.000 1.861 578 A HA 0.071 4.394 4.320 0.006 0.000 0.212 578 A C 2.378 179.954 177.584 -0.014 0.000 1.199 578 A CA 1.551 53.577 52.037 -0.019 0.000 0.613 578 A CB -0.811 18.174 19.000 -0.026 0.000 0.846 578 A HN 0.424 nan 8.150 nan 0.000 0.446 579 S N 0.351 116.040 115.700 -0.019 0.000 2.387 579 S HA -0.250 4.223 4.470 0.006 0.000 0.230 579 S C 1.919 176.505 174.600 -0.023 0.000 1.035 579 S CA 1.677 59.863 58.200 -0.023 0.000 1.014 579 S CB -0.435 62.737 63.200 -0.046 0.000 0.836 579 S HN 0.674 nan 8.310 nan 0.000 0.466 580 Q N 0.742 120.532 119.800 -0.017 0.000 2.368 580 Q HA 0.038 4.382 4.340 0.006 0.000 0.210 580 Q C 0.775 176.782 176.000 0.012 0.000 0.982 580 Q CA 0.761 56.569 55.803 0.007 0.000 0.884 580 Q CB -0.324 28.430 28.738 0.026 0.000 0.933 580 Q HN 0.531 nan 8.270 nan 0.000 0.460 581 A N 1.067 123.889 122.820 0.003 0.000 2.457 581 A HA 0.499 4.823 4.320 0.006 0.000 0.298 581 A C 0.251 177.839 177.584 0.007 0.000 1.288 581 A CA 0.417 52.457 52.037 0.005 0.000 0.956 581 A CB -0.669 18.332 19.000 0.001 0.000 1.135 581 A HN 0.382 nan 8.150 nan 0.000 0.535 582 A N 0.000 122.827 122.820 0.012 0.000 2.254 582 A HA 0.000 4.324 4.320 0.006 0.000 0.244 582 A CA 0.000 52.045 52.037 0.014 0.000 0.836 582 A CB 0.000 19.006 19.000 0.011 0.000 0.831 582 A HN 0.000 nan 8.150 nan 0.000 0.486