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 3nak_1_B DATA FIRST_RESID 1 DATA SEQUENCE SWEVGcGAPV PLVTcDEQSP YRTITGDcNN RRSPALGAAN RALARWLPAE DATA SEQUENCE YEDGLAVPFG WTQRKTRNGF RVPLAREVSN KIVGYLDEEG VLDQNRSLLF DATA SEQUENCE MQWGQIVDHD LDFAPETELG SSEHSKVQcE EYcVQGDEcF PIMFPKNDPK DATA SEQUENCE LKTQGKcMPF FRAGFVcPTP PYQSLARDQI NAVTSFLDAS LVYGSEPXLA DATA SEQUENCE SRLRNLSSPL GLMAVNQEAW DHGLAYPPFN NVKPSPcEFI NTTAHVPcFQ DATA SEQUENCE AGDSRASEQI LLATVHTLLL REHNRLAREL KRLNPHWDGE MLYQEARKIL DATA SEQUENCE GAFIQIITFR DYLPIVLGSE MQKWIPPYQG YNNSVDPRIS NVFTFAFRFG DATA SEQUENCE HMEVPSTVSR LDENYQPWGP EAELPLHTLF FNTWRIIKDG GIDPLVRGLL DATA SEQUENCE AKNSKLMNQN KMVTSELRNK LFQPTHKVHG FDLAAINLQR CRDHGMPGYN DATA SEQUENCE SWRGFcGLSQ PKTLKGLQAV LKNKVLAKKL LDLYKTPDNI DIWIGGNAEP DATA SEQUENCE MVERGRVGPL LAcLLGRQFQ QIRDGDRFWW ENPGVFTEKQ RDSLQKVSFS DATA SEQUENCE RLIcDNTHIT KVPLHAFQAN NYPHDFVDcS AVDKLDLSPW ASREN 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.413 174.600 -0.312 0.000 1.055 1 S CA 0.000 57.856 58.200 -0.574 0.000 1.107 1 S CB 0.000 62.593 63.200 -1.012 0.000 0.593 2 W N 1.697 123.012 121.300 0.025 0.000 1.833 2 W HA 0.687 5.346 4.660 -0.002 0.000 0.390 2 W C 0.479 177.011 176.519 0.022 0.000 1.680 2 W CA -0.366 56.993 57.345 0.023 0.000 1.828 2 W CB -0.167 29.311 29.460 0.030 0.000 1.357 2 W HN 0.331 nan 8.180 nan 0.000 0.720 3 E N 0.918 121.293 120.200 0.293 0.000 2.415 3 E HA -0.027 4.322 4.350 -0.002 0.000 0.260 3 E C 0.986 177.697 176.600 0.185 0.000 1.016 3 E CA -0.066 56.436 56.400 0.170 0.000 0.924 3 E CB 1.089 30.866 29.700 0.128 0.000 0.961 3 E HN 0.524 nan 8.360 nan 0.000 0.459 4 V N 2.036 122.021 119.914 0.118 0.000 3.461 4 V HA 0.297 4.416 4.120 -0.002 0.000 0.267 4 V C 0.908 177.060 176.094 0.098 0.000 1.186 4 V CA 0.769 63.134 62.300 0.108 0.000 1.154 4 V CB -0.082 31.775 31.823 0.058 0.000 0.802 4 V HN 0.514 nan 8.190 nan 0.000 0.474 5 G N -1.046 107.806 108.800 0.087 0.000 2.919 5 G HA2 0.465 4.424 3.960 -0.002 0.000 0.303 5 G HA3 0.465 4.424 3.960 -0.002 0.000 0.303 5 G C -0.976 173.961 174.900 0.061 0.000 1.611 5 G CA 0.301 45.442 45.100 0.069 0.000 0.876 5 G HN 0.312 nan 8.290 nan 0.000 0.481 6 c N 0.836 119.473 118.600 0.063 0.000 2.824 6 c HA 1.028 5.597 4.570 -0.002 0.000 0.405 6 c C 1.169 175.280 174.090 0.036 0.000 2.178 6 c CA 0.996 57.356 56.329 0.051 0.000 1.755 6 c CB 0.988 43.535 42.510 0.061 0.000 2.291 6 c HN 2.298 nan 8.230 nan 0.000 0.462 7 G N 0.251 109.062 108.800 0.019 0.000 2.733 7 G HA2 0.440 4.399 3.960 -0.002 0.000 0.686 7 G HA3 0.440 4.399 3.960 -0.002 0.000 0.686 7 G C -0.743 174.149 174.900 -0.014 0.000 1.373 7 G CA -0.056 45.040 45.100 -0.008 0.000 0.838 7 G HN 1.878 nan 8.290 nan 0.000 0.588 8 A N 2.841 125.638 122.820 -0.038 0.000 2.288 8 A HA 0.982 5.301 4.320 -0.002 0.000 0.320 8 A C -1.765 175.803 177.584 -0.025 0.000 1.217 8 A CA -0.720 51.296 52.037 -0.035 0.000 0.840 8 A CB 1.790 20.755 19.000 -0.060 0.000 1.179 8 A HN 1.043 nan 8.150 nan 0.000 0.504 9 P HA 0.441 nan 4.420 nan 0.000 0.310 9 P C -0.936 176.368 177.300 0.007 0.000 1.363 9 P CA -0.692 62.411 63.100 0.004 0.000 1.157 9 P CB 1.932 33.644 31.700 0.019 0.000 1.681 10 V N 4.143 124.065 119.914 0.014 0.000 2.509 10 V HA 0.071 4.190 4.120 -0.002 0.000 0.297 10 V C -1.448 174.658 176.094 0.021 0.000 1.014 10 V CA -0.248 62.061 62.300 0.016 0.000 1.127 10 V CB -0.025 31.814 31.823 0.027 0.000 0.925 10 V HN 0.598 nan 8.190 nan 0.000 0.480 11 P HA 0.366 nan 4.420 nan 0.000 0.280 11 P C -0.228 177.084 177.300 0.020 0.000 1.272 11 P CA -0.599 62.510 63.100 0.016 0.000 0.819 11 P CB 0.687 32.393 31.700 0.009 0.000 1.122 12 L N -2.071 119.164 121.223 0.020 0.000 3.746 12 L HA -0.143 4.196 4.340 -0.002 0.000 0.542 12 L C -0.654 176.230 176.870 0.024 0.000 1.268 12 L CA 0.032 54.884 54.840 0.020 0.000 0.818 12 L CB -1.875 40.193 42.059 0.015 0.000 1.472 12 L HN 0.109 nan 8.230 nan 0.000 0.843 13 V N 0.538 120.470 119.914 0.030 0.000 2.305 13 V HA 0.304 4.423 4.120 -0.002 0.000 0.275 13 V C 0.738 176.855 176.094 0.038 0.000 1.020 13 V CA 0.117 62.438 62.300 0.035 0.000 0.811 13 V CB 1.762 33.611 31.823 0.044 0.000 1.031 13 V HN 0.494 nan 8.190 nan 0.000 0.439 14 T N 1.341 115.914 114.554 0.033 0.000 2.817 14 T HA 0.421 4.770 4.350 -0.002 0.000 0.293 14 T C 0.276 174.997 174.700 0.036 0.000 0.964 14 T CA -0.491 61.629 62.100 0.033 0.000 1.085 14 T CB 0.770 69.653 68.868 0.026 0.000 0.921 14 T HN 0.513 nan 8.240 nan 0.000 0.502 15 c N 2.806 121.431 118.600 0.041 0.000 2.639 15 c HA 0.317 4.886 4.570 -0.002 0.000 0.360 15 c C 1.749 175.861 174.090 0.037 0.000 1.351 15 c CA -0.029 56.327 56.329 0.045 0.000 2.408 15 c CB 0.457 42.999 42.510 0.053 0.000 2.517 15 c HN 1.127 nan 8.230 nan 0.000 0.696 16 D N -1.364 119.059 120.400 0.040 0.000 2.597 16 D HA 0.042 4.681 4.640 -0.002 0.000 0.261 16 D C 1.295 177.611 176.300 0.026 0.000 1.023 16 D CA 0.487 54.505 54.000 0.030 0.000 0.927 16 D CB 0.034 40.851 40.800 0.029 0.000 1.168 16 D HN 0.767 nan 8.370 nan 0.000 0.491 17 E N -1.325 118.898 120.200 0.039 0.000 4.205 17 E HA -0.269 4.080 4.350 -0.002 0.000 0.310 17 E C 0.854 177.455 176.600 0.002 0.000 0.654 17 E CA 1.246 57.662 56.400 0.027 0.000 1.279 17 E CB -0.764 28.948 29.700 0.019 0.000 1.720 17 E HN 0.284 nan 8.360 nan 0.000 0.403 18 Q N -0.109 119.689 119.800 -0.003 0.000 2.319 18 Q HA 0.195 4.534 4.340 -0.002 0.000 0.209 18 Q C 0.522 176.496 176.000 -0.042 0.000 0.884 18 Q CA 0.263 56.050 55.803 -0.026 0.000 0.938 18 Q CB 1.073 29.797 28.738 -0.024 0.000 1.098 18 Q HN 0.074 nan 8.270 nan 0.000 0.517 19 S N 2.739 118.428 115.700 -0.018 0.000 2.549 19 S HA 0.157 4.626 4.470 -0.002 0.000 0.283 19 S C -1.765 172.786 174.600 -0.083 0.000 1.320 19 S CA -1.001 57.169 58.200 -0.050 0.000 1.058 19 S CB 0.700 63.905 63.200 0.008 0.000 0.882 19 S HN 0.012 nan 8.310 nan 0.000 0.498 20 P HA 0.219 nan 4.420 nan 0.000 0.257 20 P C -1.096 175.905 177.300 -0.498 0.000 1.281 20 P CA 0.230 63.088 63.100 -0.402 0.000 0.826 20 P CB -0.127 31.174 31.700 -0.666 0.000 1.237 21 Y N -0.434 119.807 120.300 -0.099 0.000 2.499 21 Y HA 0.473 5.022 4.550 -0.002 0.000 0.347 21 Y C 1.108 176.677 175.900 -0.551 0.000 0.987 21 Y CA -1.488 56.424 58.100 -0.313 0.000 1.044 21 Y CB 1.777 40.117 38.460 -0.200 0.000 1.245 21 Y HN -0.375 nan 8.280 nan 0.000 0.461 22 R N 0.462 120.606 120.500 -0.593 0.000 2.679 22 R HA 0.249 4.588 4.340 -0.002 0.000 0.269 22 R C -0.001 176.163 176.300 -0.227 0.000 1.076 22 R CA -0.320 55.411 56.100 -0.614 0.000 1.160 22 R CB 0.305 30.299 30.300 -0.511 0.000 1.054 22 R HN 0.714 nan 8.270 nan 0.000 0.507 23 T N -1.161 113.313 114.554 -0.133 0.000 2.910 23 T HA 0.175 4.524 4.350 -0.002 0.000 0.293 23 T C 1.596 176.305 174.700 0.015 0.000 1.015 23 T CA -0.893 61.194 62.100 -0.022 0.000 1.094 23 T CB 0.713 69.595 68.868 0.024 0.000 0.968 23 T HN 0.305 nan 8.240 nan 0.000 0.521 24 I N 2.373 122.969 120.570 0.044 0.000 2.226 24 I HA -0.155 4.014 4.170 -0.002 0.000 0.245 24 I C 2.867 179.046 176.117 0.102 0.000 1.100 24 I CA 2.103 63.451 61.300 0.079 0.000 1.374 24 I CB -1.639 36.412 38.000 0.085 0.000 1.057 24 I HN 0.962 nan 8.210 nan 0.000 0.413 25 T N -1.829 112.781 114.554 0.094 0.000 3.072 25 T HA 0.134 4.483 4.350 -0.002 0.000 0.266 25 T C 1.602 176.392 174.700 0.149 0.000 1.127 25 T CA 0.828 62.992 62.100 0.106 0.000 1.107 25 T CB -0.063 68.856 68.868 0.086 0.000 0.910 25 T HN 0.527 nan 8.240 nan 0.000 0.513 26 G N 1.135 110.039 108.800 0.173 0.000 2.176 26 G HA2 -0.205 3.754 3.960 -0.002 0.000 0.253 26 G HA3 -0.205 3.754 3.960 -0.002 0.000 0.253 26 G C -0.251 174.830 174.900 0.302 0.000 0.979 26 G CA 0.006 45.284 45.100 0.297 0.000 0.641 26 G HN 0.586 nan 8.290 nan 0.000 0.530 27 D N -0.939 119.572 120.400 0.185 0.000 2.363 27 D HA 0.404 5.043 4.640 -0.002 0.000 0.240 27 D C 1.621 178.007 176.300 0.144 0.000 1.236 27 D CA 0.641 54.737 54.000 0.161 0.000 0.927 27 D CB 0.608 41.474 40.800 0.110 0.000 1.150 27 D HN 0.719 nan 8.370 nan 0.000 0.458 28 c N 0.109 118.792 118.600 0.140 0.000 4.400 28 c HA -0.174 4.395 4.570 -0.002 0.000 0.275 28 c C 1.966 176.146 174.090 0.149 0.000 1.391 28 c CA 0.172 56.576 56.329 0.125 0.000 1.816 28 c CB -2.543 40.025 42.510 0.096 0.000 1.404 28 c HN 0.752 nan 8.230 nan 0.000 0.754 29 N N 1.335 120.132 118.700 0.163 0.000 2.051 29 N HA -0.102 4.637 4.740 -0.002 0.000 0.192 29 N C 0.608 176.204 175.510 0.144 0.000 1.049 29 N CA 1.293 54.418 53.050 0.124 0.000 0.845 29 N CB -0.091 38.346 38.487 -0.084 0.000 1.031 29 N HN 0.700 nan 8.380 nan 0.000 0.425 30 N N 1.144 119.981 118.700 0.229 0.000 2.488 30 N HA 0.068 4.807 4.740 -0.002 0.000 0.274 30 N C 0.756 176.367 175.510 0.168 0.000 1.111 30 N CA 0.074 53.270 53.050 0.243 0.000 0.974 30 N CB 0.737 39.380 38.487 0.261 0.000 1.089 30 N HN 0.144 nan 8.380 nan 0.000 0.465 31 R N 2.917 123.505 120.500 0.147 0.000 2.100 31 R HA 0.095 4.434 4.340 -0.002 0.000 0.220 31 R C 1.594 177.946 176.300 0.086 0.000 1.091 31 R CA 0.625 56.785 56.100 0.101 0.000 0.986 31 R CB 0.156 30.504 30.300 0.081 0.000 0.888 31 R HN 0.537 nan 8.270 nan 0.000 0.444 32 R N 0.267 120.818 120.500 0.086 0.000 2.062 32 R HA 0.041 4.379 4.340 -0.002 0.000 0.229 32 R C 0.704 177.047 176.300 0.072 0.000 1.128 32 R CA 0.844 56.984 56.100 0.067 0.000 0.960 32 R CB 0.118 30.450 30.300 0.054 0.000 0.855 32 R HN -0.087 nan 8.270 nan 0.000 0.432 33 S N 0.194 115.949 115.700 0.091 0.000 2.622 33 S HA 0.298 4.767 4.470 -0.002 0.000 0.283 33 S C -2.244 172.429 174.600 0.122 0.000 1.197 33 S CA -1.841 56.417 58.200 0.096 0.000 1.146 33 S CB 1.420 64.677 63.200 0.094 0.000 1.007 33 S HN -0.077 nan 8.310 nan 0.000 0.478 34 P HA 0.125 nan 4.420 nan 0.000 0.229 34 P C 0.896 178.283 177.300 0.145 0.000 1.160 34 P CA 0.411 63.588 63.100 0.129 0.000 0.777 34 P CB 0.198 31.958 31.700 0.100 0.000 0.814 35 A N -0.926 121.970 122.820 0.126 0.000 2.218 35 A HA 0.075 4.394 4.320 -0.002 0.000 0.209 35 A C 0.960 178.625 177.584 0.135 0.000 1.168 35 A CA 0.044 52.154 52.037 0.121 0.000 0.804 35 A CB -0.862 18.193 19.000 0.091 0.000 0.834 35 A HN 0.107 nan 8.150 nan 0.000 0.482 36 L N 0.145 121.464 121.223 0.161 0.000 2.477 36 L HA 0.319 4.657 4.340 -0.002 0.000 0.272 36 L C 1.517 178.499 176.870 0.186 0.000 1.157 36 L CA 0.941 55.875 54.840 0.157 0.000 0.889 36 L CB 0.332 42.497 42.059 0.178 0.000 1.158 36 L HN 0.572 nan 8.230 nan 0.000 0.473 37 G N 2.435 111.234 108.800 -0.002 0.000 2.199 37 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.254 37 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.254 37 G C 0.427 175.218 174.900 -0.182 0.000 0.982 37 G CA 0.034 44.916 45.100 -0.362 0.000 0.632 37 G HN 0.898 nan 8.290 nan 0.000 0.529 38 A N 0.210 123.072 122.820 0.070 0.000 2.346 38 A HA 0.872 5.191 4.320 -0.002 0.000 0.252 38 A C 1.013 178.632 177.584 0.058 0.000 1.089 38 A CA 1.016 53.126 52.037 0.121 0.000 0.797 38 A CB 0.426 19.508 19.000 0.137 0.000 1.047 38 A HN 2.069 nan 8.150 nan 0.000 0.494 39 A N 0.479 123.344 122.820 0.076 0.000 2.332 39 A HA 0.508 4.827 4.320 -0.002 0.000 0.258 39 A C 0.779 178.384 177.584 0.036 0.000 1.087 39 A CA 0.022 52.092 52.037 0.055 0.000 0.802 39 A CB -0.162 18.882 19.000 0.074 0.000 1.042 39 A HN 1.173 nan 8.150 nan 0.000 0.489 40 N N -0.574 118.136 118.700 0.016 0.000 2.776 40 N HA -0.119 4.619 4.740 -0.002 0.000 0.249 40 N C -0.467 175.039 175.510 -0.008 0.000 1.111 40 N CA 0.960 54.006 53.050 -0.008 0.000 0.711 40 N CB -0.565 37.916 38.487 -0.009 0.000 1.065 40 N HN 0.684 nan 8.380 nan 0.000 0.556 41 R N -0.045 120.456 120.500 0.001 0.000 2.919 41 R HA 0.702 5.041 4.340 -0.002 0.000 0.260 41 R C 0.216 176.519 176.300 0.005 0.000 1.067 41 R CA -0.401 55.703 56.100 0.008 0.000 1.003 41 R CB 0.551 30.866 30.300 0.025 0.000 1.192 41 R HN 0.125 nan 8.270 nan 0.000 0.488 42 A N 1.335 124.164 122.820 0.015 0.000 2.520 42 A HA 0.165 4.484 4.320 -0.002 0.000 0.235 42 A C 0.300 177.898 177.584 0.022 0.000 1.065 42 A CA -0.088 51.961 52.037 0.020 0.000 0.764 42 A CB -0.107 18.911 19.000 0.031 0.000 1.002 42 A HN 0.528 nan 8.150 nan 0.000 0.502 43 L N 1.504 122.742 121.223 0.025 0.000 2.426 43 L HA 0.351 4.690 4.340 -0.002 0.000 0.271 43 L C 1.121 178.000 176.870 0.014 0.000 1.169 43 L CA -0.148 54.701 54.840 0.016 0.000 0.836 43 L CB 0.661 42.743 42.059 0.039 0.000 1.112 43 L HN 0.855 nan 8.230 nan 0.000 0.465 44 A N 4.827 127.643 122.820 -0.007 0.000 2.425 44 A HA 0.373 4.692 4.320 -0.002 0.000 0.242 44 A C -0.057 177.523 177.584 -0.007 0.000 1.077 44 A CA -0.244 51.811 52.037 0.031 0.000 0.781 44 A CB 0.221 19.268 19.000 0.078 0.000 1.020 44 A HN 0.650 nan 8.150 nan 0.000 0.494 45 R N 1.253 121.812 120.500 0.099 0.000 2.360 45 R HA 0.153 4.492 4.340 -0.002 0.000 0.318 45 R C -0.443 176.041 176.300 0.307 0.000 0.950 45 R CA -0.399 55.771 56.100 0.117 0.000 0.837 45 R CB 0.921 31.276 30.300 0.092 0.000 1.165 45 R HN 0.951 nan 8.270 nan 0.000 0.458 46 W N 2.246 123.605 121.300 0.099 0.000 2.770 46 W HA 0.206 4.865 4.660 -0.002 0.000 0.256 46 W C 0.418 176.918 176.519 -0.030 0.000 1.291 46 W CA 0.144 57.523 57.345 0.057 0.000 1.396 46 W CB -0.030 29.391 29.460 -0.064 0.000 1.114 46 W HN 0.268 nan 8.180 nan 0.000 0.637 47 L N -0.396 120.912 121.223 0.142 0.000 2.424 47 L HA 0.375 4.714 4.340 -0.002 0.000 0.258 47 L C -2.236 174.631 176.870 -0.005 0.000 0.995 47 L CA -2.107 52.711 54.840 -0.037 0.000 0.821 47 L CB 2.160 43.973 42.059 -0.410 0.000 1.383 47 L HN -0.521 nan 8.230 nan 0.000 0.410 48 P HA 0.108 nan 4.420 nan 0.000 0.266 48 P C -0.700 176.549 177.300 -0.084 0.000 1.195 48 P CA -0.162 62.912 63.100 -0.043 0.000 0.768 48 P CB 0.638 32.332 31.700 -0.009 0.000 0.838 49 A N 3.099 125.854 122.820 -0.108 0.000 2.466 49 A HA 0.165 4.484 4.320 -0.002 0.000 0.238 49 A C 0.092 177.539 177.584 -0.228 0.000 1.074 49 A CA 0.042 51.979 52.037 -0.166 0.000 0.774 49 A CB 0.001 18.945 19.000 -0.094 0.000 1.015 49 A HN 0.568 nan 8.150 nan 0.000 0.498 50 E N 0.200 120.138 120.200 -0.436 0.000 2.218 50 E HA 0.532 4.881 4.350 -0.002 0.000 0.263 50 E C -1.900 174.278 176.600 -0.704 0.000 0.879 50 E CA -0.112 56.092 56.400 -0.326 0.000 0.762 50 E CB 1.654 31.329 29.700 -0.040 0.000 1.166 50 E HN 0.599 nan 8.360 nan 0.000 0.415 51 Y N 0.163 120.262 120.300 -0.335 0.000 2.588 51 Y HA 0.146 4.695 4.550 -0.001 0.000 0.343 51 Y C 1.354 176.788 175.900 -0.776 0.000 1.065 51 Y CA -0.866 56.856 58.100 -0.629 0.000 1.038 51 Y CB 1.335 39.556 38.460 -0.399 0.000 1.297 51 Y HN 0.448 nan 8.280 nan 0.000 0.467 52 E N 0.532 120.304 120.200 -0.712 0.000 2.033 52 E HA -0.250 4.098 4.350 -0.002 0.000 0.199 52 E C 0.835 177.347 176.600 -0.147 0.000 1.011 52 E CA 2.060 58.238 56.400 -0.369 0.000 0.815 52 E CB 0.007 29.592 29.700 -0.191 0.000 0.755 52 E HN 0.787 nan 8.360 nan 0.000 0.451 53 D N -1.380 118.924 120.400 -0.159 0.000 2.349 53 D HA 0.021 4.660 4.640 -0.002 0.000 0.224 53 D C 1.247 177.499 176.300 -0.080 0.000 1.029 53 D CA 0.830 54.761 54.000 -0.114 0.000 0.879 53 D CB 0.218 40.918 40.800 -0.166 0.000 0.906 53 D HN 0.338 nan 8.370 nan 0.000 0.528 54 G N -0.272 108.496 108.800 -0.054 0.000 2.245 54 G HA2 -0.346 3.613 3.960 -0.002 0.000 0.264 54 G HA3 -0.346 3.613 3.960 -0.002 0.000 0.264 54 G C 0.762 175.682 174.900 0.034 0.000 0.985 54 G CA 0.726 45.826 45.100 0.000 0.000 0.625 54 G HN 0.387 nan 8.290 nan 0.000 0.536 55 L N -1.126 120.057 121.223 -0.068 0.000 2.519 55 L HA 0.782 5.121 4.340 -0.002 0.000 0.194 55 L C 2.455 178.993 176.870 -0.554 0.000 1.072 55 L CA 2.475 57.212 54.840 -0.172 0.000 0.845 55 L CB 0.005 41.954 42.059 -0.183 0.000 1.138 55 L HN 0.757 nan 8.230 nan 0.000 0.487 56 A N -2.296 119.992 122.820 -0.887 0.000 2.680 56 A HA 0.336 4.655 4.320 -0.002 0.000 0.183 56 A C -0.132 176.702 177.584 -1.249 0.000 1.506 56 A CA -0.068 51.138 52.037 -1.386 0.000 1.119 56 A CB 0.384 18.907 19.000 -0.795 0.000 1.424 56 A HN -0.082 nan 8.150 nan 0.000 0.540 57 V N 3.334 122.756 119.914 -0.820 0.000 2.432 57 V HA 0.315 4.434 4.120 -0.002 0.000 0.271 57 V C -2.417 173.466 176.094 -0.352 0.000 1.046 57 V CA -1.636 60.245 62.300 -0.698 0.000 0.945 57 V CB 1.246 32.650 31.823 -0.700 0.000 0.992 57 V HN 0.215 nan 8.190 nan 0.000 0.471 58 P HA 0.085 nan 4.420 nan 0.000 0.269 58 P C -0.421 176.870 177.300 -0.015 0.000 1.215 58 P CA -0.080 62.977 63.100 -0.071 0.000 0.780 58 P CB 0.344 31.879 31.700 -0.274 0.000 0.898 59 F N 1.153 121.187 119.950 0.141 0.000 2.538 59 F HA 0.309 4.835 4.527 -0.002 0.000 0.371 59 F C 1.862 177.806 175.800 0.239 0.000 1.087 59 F CA 1.519 59.615 58.000 0.159 0.000 1.250 59 F CB 0.142 39.221 39.000 0.131 0.000 1.110 59 F HN 0.634 nan 8.300 nan 0.000 0.570 60 G N 3.088 112.170 108.800 0.470 0.000 2.201 60 G HA2 -0.281 3.678 3.960 -0.002 0.000 0.212 60 G HA3 -0.281 3.678 3.960 -0.002 0.000 0.212 60 G C 0.901 176.053 174.900 0.420 0.000 0.994 60 G CA 0.109 45.453 45.100 0.407 0.000 0.644 60 G HN 0.760 nan 8.290 nan 0.000 0.508 61 W N 1.897 123.276 121.300 0.132 0.000 2.381 61 W HA 0.107 4.765 4.660 -0.003 0.000 0.321 61 W C 0.508 177.069 176.519 0.069 0.000 1.196 61 W CA 2.094 59.457 57.345 0.031 0.000 1.304 61 W CB -0.469 28.881 29.460 -0.183 0.000 1.166 61 W HN 0.209 nan 8.180 nan 0.000 0.473 62 T N 2.482 117.262 114.554 0.377 0.000 2.882 62 T HA 0.092 4.440 4.350 -0.002 0.000 0.287 62 T C 1.096 175.892 174.700 0.160 0.000 0.992 62 T CA -0.526 61.715 62.100 0.234 0.000 1.076 62 T CB 1.923 70.942 68.868 0.251 0.000 0.961 62 T HN 0.030 nan 8.240 nan 0.000 0.490 63 Q N 2.250 122.108 119.800 0.098 0.000 2.096 63 Q HA -0.074 4.265 4.340 -0.002 0.000 0.197 63 Q C 2.464 178.512 176.000 0.081 0.000 0.964 63 Q CA 1.043 56.893 55.803 0.080 0.000 0.838 63 Q CB -0.280 28.485 28.738 0.045 0.000 0.906 63 Q HN 0.765 nan 8.270 nan 0.000 0.444 64 R N 0.833 121.378 120.500 0.075 0.000 2.105 64 R HA -0.000 4.339 4.340 -0.002 0.000 0.239 64 R C 0.850 177.196 176.300 0.077 0.000 1.135 64 R CA 0.786 56.924 56.100 0.064 0.000 0.967 64 R CB -0.194 30.139 30.300 0.055 0.000 0.861 64 R HN -0.061 nan 8.270 nan 0.000 0.442 65 K N 1.535 122.000 120.400 0.108 0.000 2.202 65 K HA 0.095 4.414 4.320 -0.002 0.000 0.264 65 K C -0.045 176.646 176.600 0.153 0.000 1.010 65 K CA 0.475 56.842 56.287 0.133 0.000 0.940 65 K CB 1.480 34.080 32.500 0.166 0.000 0.983 65 K HN 0.338 nan 8.250 nan 0.000 0.475 66 T N -1.261 113.381 114.554 0.147 0.000 2.804 66 T HA 0.446 4.794 4.350 -0.002 0.000 0.290 66 T C -0.800 173.928 174.700 0.047 0.000 1.099 66 T CA -1.069 61.087 62.100 0.094 0.000 1.011 66 T CB 1.791 70.672 68.868 0.022 0.000 1.291 66 T HN 0.606 nan 8.240 nan 0.000 0.523 67 R N 0.816 121.233 120.500 -0.138 0.000 2.409 67 R HA 0.386 4.725 4.340 -0.002 0.000 0.313 67 R C -0.364 175.850 176.300 -0.143 0.000 0.953 67 R CA -0.370 55.494 56.100 -0.393 0.000 0.849 67 R CB 0.184 29.911 30.300 -0.955 0.000 1.171 67 R HN 0.818 nan 8.270 nan 0.000 0.458 68 N N 3.104 121.751 118.700 -0.090 0.000 2.693 68 N HA -0.237 4.502 4.740 -0.002 0.000 0.249 68 N C 0.595 176.031 175.510 -0.124 0.000 1.119 68 N CA 1.655 54.684 53.050 -0.035 0.000 0.717 68 N CB -0.865 37.642 38.487 0.034 0.000 1.071 68 N HN 1.093 nan 8.380 nan 0.000 0.555 69 G N -1.732 106.944 108.800 -0.206 0.000 2.313 69 G HA2 -0.281 3.678 3.960 -0.002 0.000 0.215 69 G HA3 -0.281 3.678 3.960 -0.002 0.000 0.215 69 G C -0.041 174.544 174.900 -0.526 0.000 1.023 69 G CA 0.177 45.008 45.100 -0.449 0.000 0.626 69 G HN 0.310 nan 8.290 nan 0.000 0.503 70 F N 1.581 121.524 119.950 -0.011 0.000 2.470 70 F HA 0.734 5.260 4.527 -0.002 0.000 0.329 70 F C 1.087 176.882 175.800 -0.009 0.000 1.072 70 F CA -1.037 56.961 58.000 -0.003 0.000 0.989 70 F CB 1.068 40.071 39.000 0.006 0.000 1.193 70 F HN -0.117 nan 8.300 nan 0.000 0.481 71 R N 1.292 121.914 120.500 0.204 0.000 2.389 71 R HA 0.388 4.726 4.340 -0.002 0.000 0.295 71 R C -0.824 175.538 176.300 0.104 0.000 1.075 71 R CA -0.686 55.488 56.100 0.124 0.000 1.005 71 R CB 0.915 31.275 30.300 0.099 0.000 0.987 71 R HN 0.571 nan 8.270 nan 0.000 0.452 72 V N 1.840 121.808 119.914 0.090 0.000 2.585 72 V HA 0.223 4.342 4.120 -0.002 0.000 0.296 72 V C -1.661 174.447 176.094 0.023 0.000 1.035 72 V CA -1.660 60.689 62.300 0.081 0.000 1.084 72 V CB 0.128 32.030 31.823 0.131 0.000 0.953 72 V HN 0.672 nan 8.190 nan 0.000 0.483 73 P HA 0.346 nan 4.420 nan 0.000 0.274 73 P C -0.360 176.886 177.300 -0.090 0.000 1.231 73 P CA -0.618 62.396 63.100 -0.144 0.000 0.790 73 P CB 0.832 32.327 31.700 -0.342 0.000 0.951 74 L N 1.507 122.689 121.223 -0.068 0.000 2.455 74 L HA 0.058 4.397 4.340 -0.002 0.000 0.272 74 L C 2.014 178.848 176.870 -0.060 0.000 1.174 74 L CA -0.173 54.633 54.840 -0.056 0.000 0.869 74 L CB 0.058 42.089 42.059 -0.047 0.000 1.130 74 L HN 0.476 nan 8.230 nan 0.000 0.474 75 A N 3.608 126.388 122.820 -0.066 0.000 1.903 75 A HA -0.269 4.049 4.320 -0.002 0.000 0.219 75 A C 2.318 179.895 177.584 -0.011 0.000 1.191 75 A CA 2.135 54.147 52.037 -0.042 0.000 0.638 75 A CB -0.426 18.505 19.000 -0.115 0.000 0.823 75 A HN 0.870 nan 8.150 nan 0.000 0.451 76 R N 0.082 120.573 120.500 -0.015 0.000 2.096 76 R HA -0.099 4.240 4.340 -0.002 0.000 0.235 76 R C 2.001 178.321 176.300 0.033 0.000 1.127 76 R CA 1.994 58.118 56.100 0.041 0.000 0.968 76 R CB -0.551 29.821 30.300 0.121 0.000 0.861 76 R HN 0.672 nan 8.270 nan 0.000 0.440 77 E N -0.456 119.748 120.200 0.006 0.000 2.347 77 E HA -0.082 4.267 4.350 -0.002 0.000 0.196 77 E C 1.421 178.008 176.600 -0.021 0.000 1.008 77 E CA 0.996 57.389 56.400 -0.012 0.000 0.852 77 E CB 0.296 29.977 29.700 -0.032 0.000 0.783 77 E HN 0.256 nan 8.360 nan 0.000 0.505 78 V N 0.025 119.929 119.914 -0.016 0.000 2.407 78 V HA -0.155 3.963 4.120 -0.002 0.000 0.245 78 V C 2.359 178.500 176.094 0.078 0.000 1.041 78 V CA 1.571 63.877 62.300 0.011 0.000 1.040 78 V CB -0.303 31.541 31.823 0.036 0.000 0.671 78 V HN 0.202 nan 8.190 nan 0.000 0.455 79 S N 0.736 116.493 115.700 0.094 0.000 2.382 79 S HA -0.206 4.263 4.470 -0.002 0.000 0.228 79 S C 1.925 176.576 174.600 0.084 0.000 1.027 79 S CA 1.766 60.038 58.200 0.120 0.000 0.991 79 S CB -0.439 62.827 63.200 0.110 0.000 0.823 79 S HN 0.617 nan 8.310 nan 0.000 0.469 80 N N 1.048 119.776 118.700 0.047 0.000 2.188 80 N HA 0.020 4.759 4.740 -0.002 0.000 0.184 80 N C 1.629 177.157 175.510 0.031 0.000 1.018 80 N CA 1.083 54.148 53.050 0.024 0.000 0.858 80 N CB -0.129 38.358 38.487 -0.001 0.000 0.989 80 N HN 0.532 nan 8.380 nan 0.000 0.426 81 K N -0.752 119.668 120.400 0.033 0.000 2.313 81 K HA 0.286 4.605 4.320 -0.002 0.000 0.197 81 K C 1.423 178.051 176.600 0.045 0.000 1.061 81 K CA 0.311 56.615 56.287 0.028 0.000 0.980 81 K CB 0.797 33.301 32.500 0.006 0.000 0.888 81 K HN 0.072 nan 8.250 nan 0.000 0.502 82 I N -0.246 120.363 120.570 0.063 0.000 3.565 82 I HA -0.076 4.093 4.170 -0.002 0.000 0.287 82 I C 1.500 177.675 176.117 0.096 0.000 1.193 82 I CA 0.320 61.662 61.300 0.070 0.000 1.402 82 I CB 0.745 38.788 38.000 0.071 0.000 1.284 82 I HN -0.222 nan 8.210 nan 0.000 0.454 83 V N 0.896 120.889 119.914 0.130 0.000 3.541 83 V HA 0.231 4.349 4.120 -0.002 0.000 0.267 83 V C 1.034 177.259 176.094 0.218 0.000 1.213 83 V CA 0.435 62.840 62.300 0.175 0.000 1.149 83 V CB -0.776 31.195 31.823 0.246 0.000 0.822 83 V HN 0.355 nan 8.190 nan 0.000 0.462 84 G N -0.357 108.554 108.800 0.186 0.000 2.441 84 G HA2 0.659 4.618 3.960 -0.002 0.000 0.334 84 G HA3 0.659 4.618 3.960 -0.002 0.000 0.334 84 G C -1.186 173.873 174.900 0.266 0.000 1.161 84 G CA -0.521 44.690 45.100 0.186 0.000 0.935 84 G HN 0.380 nan 8.290 nan 0.000 0.488 85 Y N -1.696 118.636 120.300 0.053 0.000 2.725 85 Y HA 0.615 5.164 4.550 -0.002 0.000 0.333 85 Y C -0.446 175.479 175.900 0.042 0.000 1.242 85 Y CA -1.223 56.903 58.100 0.044 0.000 1.059 85 Y CB 1.098 39.587 38.460 0.047 0.000 1.306 85 Y HN 0.303 nan 8.280 nan 0.000 0.454 86 L N -0.111 121.169 121.223 0.094 0.000 2.653 86 L HA 0.252 4.590 4.340 -0.002 0.000 0.230 86 L C -0.281 176.640 176.870 0.086 0.000 1.055 86 L CA 0.267 55.103 54.840 -0.007 0.000 0.880 86 L CB 0.513 42.591 42.059 0.030 0.000 1.195 86 L HN 0.629 nan 8.230 nan 0.000 0.492 87 D N 0.953 121.527 120.400 0.290 0.000 2.411 87 D HA 0.057 4.696 4.640 -0.002 0.000 0.225 87 D C 0.750 177.266 176.300 0.361 0.000 1.156 87 D CA 0.067 54.213 54.000 0.244 0.000 0.874 87 D CB 1.043 41.942 40.800 0.165 0.000 1.034 87 D HN 0.025 nan 8.370 nan 0.000 0.502 88 E N 1.968 122.334 120.200 0.277 0.000 2.511 88 E HA -0.040 4.308 4.350 -0.002 0.000 0.196 88 E C -0.052 176.651 176.600 0.172 0.000 1.066 88 E CA 0.287 56.864 56.400 0.296 0.000 0.871 88 E CB 0.344 30.159 29.700 0.192 0.000 0.863 88 E HN 0.519 nan 8.360 nan 0.000 0.520 89 E N 0.474 120.751 120.200 0.127 0.000 2.299 89 E HA 0.168 4.517 4.350 -0.002 0.000 0.272 89 E C 1.020 177.656 176.600 0.060 0.000 1.043 89 E CA 0.315 56.764 56.400 0.082 0.000 0.895 89 E CB 0.866 30.605 29.700 0.065 0.000 1.011 89 E HN 0.311 nan 8.360 nan 0.000 0.432 90 G N 2.122 110.953 108.800 0.052 0.000 2.176 90 G HA2 -0.365 3.594 3.960 -0.002 0.000 0.253 90 G HA3 -0.365 3.594 3.960 -0.002 0.000 0.253 90 G C 0.993 175.907 174.900 0.024 0.000 0.979 90 G CA 0.423 45.542 45.100 0.033 0.000 0.641 90 G HN 0.508 nan 8.290 nan 0.000 0.530 91 V N -0.919 119.015 119.914 0.034 0.000 2.626 91 V HA 0.324 4.443 4.120 -0.002 0.000 0.252 91 V C 1.749 177.875 176.094 0.054 0.000 1.067 91 V CA 1.096 63.409 62.300 0.020 0.000 1.081 91 V CB -0.517 31.333 31.823 0.044 0.000 0.686 91 V HN 0.455 nan 8.190 nan 0.000 0.468 92 L N 1.915 123.181 121.223 0.070 0.000 2.485 92 L HA 0.174 4.513 4.340 -0.002 0.000 0.275 92 L C 0.518 177.430 176.870 0.070 0.000 1.207 92 L CA 0.238 55.127 54.840 0.082 0.000 0.855 92 L CB -0.040 42.067 42.059 0.081 0.000 1.114 92 L HN 0.274 nan 8.230 nan 0.000 0.485 93 D N 2.052 122.502 120.400 0.084 0.000 2.389 93 D HA -0.019 4.620 4.640 -0.002 0.000 0.247 93 D C 0.626 176.954 176.300 0.048 0.000 1.128 93 D CA -0.112 53.927 54.000 0.065 0.000 0.884 93 D CB 1.381 42.232 40.800 0.085 0.000 1.194 93 D HN 0.438 nan 8.370 nan 0.000 0.441 94 Q N 2.095 121.911 119.800 0.026 0.000 2.398 94 Q HA -0.040 4.299 4.340 -0.002 0.000 0.204 94 Q C 0.700 176.707 176.000 0.012 0.000 0.932 94 Q CA 0.657 56.474 55.803 0.023 0.000 0.916 94 Q CB 0.092 28.839 28.738 0.015 0.000 1.024 94 Q HN 0.420 nan 8.270 nan 0.000 0.504 95 N N 0.300 118.992 118.700 -0.013 0.000 2.377 95 N HA 0.055 4.794 4.740 -0.002 0.000 0.259 95 N C -1.142 174.320 175.510 -0.079 0.000 1.332 95 N CA -0.036 52.992 53.050 -0.037 0.000 0.877 95 N CB 0.563 39.016 38.487 -0.055 0.000 1.299 95 N HN -0.195 nan 8.380 nan 0.000 0.501 96 R N 0.586 121.056 120.500 -0.050 0.000 2.514 96 R HA 0.324 4.663 4.340 -0.002 0.000 0.296 96 R C -0.303 176.053 176.300 0.093 0.000 1.012 96 R CA -0.520 55.545 56.100 -0.058 0.000 0.897 96 R CB 1.097 31.272 30.300 -0.208 0.000 1.184 96 R HN 0.320 nan 8.270 nan 0.000 0.440 97 S N 1.425 117.199 115.700 0.123 0.000 2.596 97 S HA 0.051 4.520 4.470 -0.002 0.000 0.260 97 S C 1.283 175.990 174.600 0.179 0.000 1.336 97 S CA -0.597 57.679 58.200 0.126 0.000 0.993 97 S CB 0.708 63.944 63.200 0.059 0.000 0.923 97 S HN 0.539 nan 8.310 nan 0.000 0.567 98 L N 0.572 121.872 121.223 0.128 0.000 2.191 98 L HA 0.101 4.440 4.340 -0.002 0.000 0.212 98 L C 2.026 178.949 176.870 0.087 0.000 1.103 98 L CA 1.352 56.263 54.840 0.119 0.000 0.769 98 L CB -1.186 40.923 42.059 0.084 0.000 0.908 98 L HN 0.829 nan 8.230 nan 0.000 0.438 99 L N -1.564 119.661 121.223 0.004 0.000 2.353 99 L HA -0.166 4.173 4.340 -0.002 0.000 0.220 99 L C 2.134 179.023 176.870 0.032 0.000 1.133 99 L CA 1.333 56.083 54.840 -0.149 0.000 0.798 99 L CB -0.728 41.035 42.059 -0.492 0.000 0.922 99 L HN 0.348 nan 8.230 nan 0.000 0.445 100 F N -0.492 119.529 119.950 0.118 0.000 2.146 100 F HA -0.216 4.310 4.527 -0.002 0.000 0.298 100 F C 2.346 178.367 175.800 0.367 0.000 1.096 100 F CA 2.036 60.281 58.000 0.410 0.000 1.275 100 F CB -0.289 38.924 39.000 0.355 0.000 1.008 100 F HN 0.174 nan 8.300 nan 0.000 0.480 101 M N -0.040 119.638 119.600 0.130 0.000 2.067 101 M HA -0.242 4.237 4.480 -0.002 0.000 0.260 101 M C 2.288 178.543 176.300 -0.075 0.000 1.069 101 M CA 2.101 57.387 55.300 -0.022 0.000 1.117 101 M CB -0.536 32.105 32.600 0.069 0.000 1.334 101 M HN 0.307 nan 8.290 nan 0.000 0.407 102 Q N 0.295 120.083 119.800 -0.019 0.000 2.002 102 Q HA -0.242 4.097 4.340 -0.002 0.000 0.204 102 Q C 1.836 177.781 176.000 -0.092 0.000 0.988 102 Q CA 2.572 58.340 55.803 -0.058 0.000 0.843 102 Q CB -1.049 27.675 28.738 -0.023 0.000 0.908 102 Q HN 0.742 nan 8.270 nan 0.000 0.420 103 W N 0.420 121.583 121.300 -0.230 0.000 2.350 103 W HA -0.133 4.526 4.660 -0.002 0.000 0.289 103 W C 1.637 177.880 176.519 -0.461 0.000 1.215 103 W CA 1.465 58.651 57.345 -0.265 0.000 1.236 103 W CB -0.444 28.950 29.460 -0.110 0.000 1.130 103 W HN 0.360 nan 8.180 nan 0.000 0.541 104 G N 0.251 108.776 108.800 -0.459 0.000 2.440 104 G HA2 -0.371 3.588 3.960 -0.002 0.000 0.218 104 G HA3 -0.371 3.588 3.960 -0.002 0.000 0.218 104 G C 1.422 175.964 174.900 -0.598 0.000 1.154 104 G CA 1.143 45.948 45.100 -0.492 0.000 0.767 104 G HN 0.404 nan 8.290 nan 0.000 0.552 105 Q N -0.537 118.951 119.800 -0.520 0.000 2.311 105 Q HA 0.015 4.354 4.340 -0.002 0.000 0.203 105 Q C 2.450 178.083 176.000 -0.612 0.000 0.954 105 Q CA 0.268 55.724 55.803 -0.578 0.000 0.885 105 Q CB -0.037 28.409 28.738 -0.486 0.000 0.963 105 Q HN 0.401 nan 8.270 nan 0.000 0.471 106 I N -0.042 120.177 120.570 -0.585 0.000 2.193 106 I HA -0.211 3.958 4.170 -0.002 0.000 0.240 106 I C 2.322 178.123 176.117 -0.527 0.000 1.084 106 I CA 0.840 61.773 61.300 -0.611 0.000 1.365 106 I CB -1.144 36.348 38.000 -0.846 0.000 1.064 106 I HN 0.079 nan 8.210 nan 0.000 0.410 107 V N 1.404 120.954 119.914 -0.606 0.000 2.287 107 V HA -0.339 3.779 4.120 -0.002 0.000 0.248 107 V C 2.357 178.462 176.094 0.019 0.000 1.053 107 V CA 2.411 64.594 62.300 -0.196 0.000 1.027 107 V CB -0.867 30.983 31.823 0.045 0.000 0.646 107 V HN 0.420 nan 8.190 nan 0.000 0.447 108 D N -0.844 119.412 120.400 -0.240 0.000 2.104 108 D HA -0.241 4.398 4.640 -0.002 0.000 0.194 108 D C 2.083 178.373 176.300 -0.016 0.000 0.994 108 D CA 1.773 55.599 54.000 -0.291 0.000 0.830 108 D CB -0.225 40.039 40.800 -0.893 0.000 0.959 108 D HN 0.638 nan 8.370 nan 0.000 0.452 109 H N -0.961 117.973 119.070 -0.227 0.000 2.457 109 H HA -0.095 4.460 4.556 -0.002 0.000 0.294 109 H C 1.413 176.698 175.328 -0.071 0.000 1.064 109 H CA 0.938 56.890 56.048 -0.160 0.000 1.330 109 H CB 0.217 29.876 29.762 -0.172 0.000 1.395 109 H HN 0.291 nan 8.280 nan 0.000 0.541 110 D N 0.811 121.254 120.400 0.071 0.000 2.144 110 D HA -0.097 4.542 4.640 -0.002 0.000 0.200 110 D C 2.086 178.467 176.300 0.136 0.000 0.978 110 D CA 0.716 54.771 54.000 0.092 0.000 0.833 110 D CB 0.224 41.077 40.800 0.087 0.000 0.961 110 D HN 0.355 nan 8.370 nan 0.000 0.470 111 L N -0.081 121.240 121.223 0.163 0.000 2.253 111 L HA 0.138 4.477 4.340 -0.002 0.000 0.205 111 L C 0.472 177.427 176.870 0.141 0.000 1.078 111 L CA 0.439 55.386 54.840 0.179 0.000 0.805 111 L CB 0.086 42.313 42.059 0.279 0.000 0.963 111 L HN 0.008 nan 8.230 nan 0.000 0.459 112 D N -1.588 118.891 120.400 0.131 0.000 2.753 112 D HA 0.331 4.970 4.640 -0.002 0.000 0.224 112 D C -1.492 174.888 176.300 0.133 0.000 1.213 112 D CA -0.375 53.693 54.000 0.114 0.000 0.833 112 D CB 3.077 43.947 40.800 0.115 0.000 1.607 112 D HN -0.232 nan 8.370 nan 0.000 0.463 113 F N 0.994 120.906 119.950 -0.063 0.000 2.839 113 F HA 0.520 5.046 4.527 -0.002 0.000 0.344 113 F C -1.678 174.094 175.800 -0.046 0.000 1.242 113 F CA -1.059 56.887 58.000 -0.091 0.000 1.091 113 F CB 1.578 40.517 39.000 -0.102 0.000 1.374 113 F HN 0.603 nan 8.300 nan 0.000 0.553 114 A N 8.265 131.039 122.820 -0.076 0.000 2.341 114 A HA 0.695 5.014 4.320 -0.002 0.000 0.326 114 A C -2.613 174.710 177.584 -0.434 0.000 1.402 114 A CA -1.397 50.527 52.037 -0.188 0.000 0.957 114 A CB -0.270 18.783 19.000 0.088 0.000 1.151 114 A HN 0.399 nan 8.150 nan 0.000 0.533 115 P HA 0.192 nan 4.420 nan 0.000 0.275 115 P C -0.267 176.840 177.300 -0.322 0.000 1.228 115 P CA -0.126 62.502 63.100 -0.786 0.000 0.786 115 P CB 0.933 32.218 31.700 -0.693 0.000 0.927 116 E N 0.079 120.154 120.200 -0.208 0.000 2.373 116 E HA 0.069 4.418 4.350 -0.002 0.000 0.263 116 E C 1.104 177.629 176.600 -0.125 0.000 1.073 116 E CA -0.201 56.126 56.400 -0.123 0.000 0.894 116 E CB 0.574 30.218 29.700 -0.093 0.000 1.008 116 E HN 0.380 nan 8.360 nan 0.000 0.420 117 T N 1.355 115.860 114.554 -0.081 0.000 2.788 117 T HA -0.117 4.232 4.350 -0.002 0.000 0.268 117 T C 0.219 174.795 174.700 -0.207 0.000 1.044 117 T CA 1.044 63.095 62.100 -0.081 0.000 1.139 117 T CB 0.041 68.918 68.868 0.014 0.000 0.867 117 T HN 0.169 nan 8.240 nan 0.000 0.454 118 E N 1.296 121.288 120.200 -0.346 0.000 2.129 118 E HA 0.425 4.774 4.350 -0.002 0.000 0.283 118 E C -0.806 175.595 176.600 -0.332 0.000 1.080 118 E CA -0.041 56.038 56.400 -0.535 0.000 0.867 118 E CB 0.193 29.203 29.700 -1.150 0.000 1.056 118 E HN 0.351 nan 8.360 nan 0.000 0.404 119 L N 3.011 124.074 121.223 -0.268 0.000 2.378 119 L HA 0.294 4.632 4.340 -0.002 0.000 0.256 119 L C 0.196 176.967 176.870 -0.165 0.000 1.316 119 L CA -0.635 54.090 54.840 -0.192 0.000 0.835 119 L CB 0.985 42.958 42.059 -0.145 0.000 0.987 119 L HN 0.490 nan 8.230 nan 0.000 0.534 120 G N -0.409 108.288 108.800 -0.172 0.000 2.434 120 G HA2 0.583 4.542 3.960 -0.002 0.000 0.330 120 G HA3 0.583 4.542 3.960 -0.002 0.000 0.330 120 G C -0.450 174.394 174.900 -0.093 0.000 1.155 120 G CA -0.436 44.587 45.100 -0.128 0.000 0.917 120 G HN 0.134 nan 8.290 nan 0.000 0.493 121 S N 0.204 115.862 115.700 -0.069 0.000 2.481 121 S HA 0.334 4.803 4.470 -0.002 0.000 0.276 121 S C 0.822 175.401 174.600 -0.036 0.000 1.247 121 S CA 0.349 58.518 58.200 -0.051 0.000 1.053 121 S CB 0.764 63.939 63.200 -0.042 0.000 0.925 121 S HN 1.325 nan 8.310 nan 0.000 0.491 122 S N 3.140 118.820 115.700 -0.035 0.000 3.371 122 S HA -0.153 4.316 4.470 -0.002 0.000 0.353 122 S C -0.332 174.266 174.600 -0.004 0.000 0.849 122 S CA 0.237 58.425 58.200 -0.020 0.000 1.356 122 S CB -0.519 62.678 63.200 -0.006 0.000 1.217 122 S HN 0.645 nan 8.310 nan 0.000 0.559 123 E N 3.027 123.216 120.200 -0.019 0.000 2.174 123 E HA 0.258 4.607 4.350 -0.002 0.000 0.282 123 E C 0.848 177.466 176.600 0.030 0.000 0.992 123 E CA -0.553 55.847 56.400 -0.000 0.000 0.803 123 E CB 0.976 30.647 29.700 -0.048 0.000 1.090 123 E HN 0.723 nan 8.360 nan 0.000 0.396 124 H N 1.543 120.619 119.070 0.011 0.000 2.582 124 H HA 0.149 4.705 4.556 -0.001 0.000 0.269 124 H C 1.203 176.570 175.328 0.064 0.000 0.962 124 H CA 0.476 56.545 56.048 0.036 0.000 1.230 124 H CB 0.894 30.670 29.762 0.023 0.000 1.445 124 H HN 0.293 nan 8.280 nan 0.000 0.528 125 S N 0.413 116.221 115.700 0.180 0.000 2.423 125 S HA -0.066 4.402 4.470 -0.002 0.000 0.231 125 S C 1.996 176.736 174.600 0.232 0.000 1.014 125 S CA 0.694 59.001 58.200 0.178 0.000 0.965 125 S CB 0.195 63.465 63.200 0.117 0.000 0.785 125 S HN 0.412 nan 8.310 nan 0.000 0.495 126 K N 0.739 121.238 120.400 0.164 0.000 2.032 126 K HA -0.073 4.246 4.320 -0.002 0.000 0.209 126 K C 1.999 178.761 176.600 0.270 0.000 1.048 126 K CA 1.359 57.801 56.287 0.258 0.000 0.927 126 K CB -0.377 32.173 32.500 0.083 0.000 0.712 126 K HN 0.196 nan 8.250 nan 0.000 0.441 127 V N 1.229 121.239 119.914 0.161 0.000 2.358 127 V HA -0.244 3.875 4.120 -0.002 0.000 0.246 127 V C 2.319 178.554 176.094 0.235 0.000 1.047 127 V CA 1.632 64.018 62.300 0.143 0.000 1.035 127 V CB -0.463 31.399 31.823 0.066 0.000 0.658 127 V HN 0.344 nan 8.190 nan 0.000 0.452 128 Q N -1.356 118.617 119.800 0.289 0.000 2.170 128 Q HA -0.243 4.096 4.340 -0.002 0.000 0.203 128 Q C 2.357 178.508 176.000 0.252 0.000 0.976 128 Q CA 2.020 58.032 55.803 0.349 0.000 0.858 128 Q CB -0.324 28.543 28.738 0.216 0.000 0.907 128 Q HN 0.720 nan 8.270 nan 0.000 0.433 129 c N 0.350 119.054 118.600 0.174 0.000 2.476 129 c HA -0.082 4.487 4.570 -0.002 0.000 0.278 129 c C 2.155 176.223 174.090 -0.038 0.000 1.274 129 c CA 0.887 57.236 56.329 0.034 0.000 1.713 129 c CB -0.536 41.922 42.510 -0.087 0.000 2.039 129 c HN 0.562 nan 8.230 nan 0.000 0.484 130 E N 0.290 120.487 120.200 -0.004 0.000 2.016 130 E HA -0.178 4.171 4.350 -0.002 0.000 0.190 130 E C 2.077 178.587 176.600 -0.151 0.000 0.985 130 E CA 1.209 57.560 56.400 -0.082 0.000 0.802 130 E CB -0.327 29.370 29.700 -0.004 0.000 0.762 130 E HN 0.671 nan 8.360 nan 0.000 0.448 131 E N -0.356 119.724 120.200 -0.200 0.000 2.152 131 E HA -0.108 4.241 4.350 -0.002 0.000 0.192 131 E C 1.329 177.526 176.600 -0.673 0.000 0.983 131 E CA 0.913 57.009 56.400 -0.506 0.000 0.818 131 E CB 0.167 29.414 29.700 -0.755 0.000 0.758 131 E HN 0.374 nan 8.360 nan 0.000 0.467 132 Y N -1.617 118.664 120.300 -0.032 0.000 2.467 132 Y HA 0.185 4.735 4.550 -0.001 0.000 0.259 132 Y C 0.729 176.592 175.900 -0.062 0.000 1.084 132 Y CA -0.378 57.701 58.100 -0.034 0.000 1.275 132 Y CB 0.540 38.994 38.460 -0.010 0.000 1.208 132 Y HN -0.087 nan 8.280 nan 0.000 0.511 133 c N 1.838 120.458 118.600 0.033 0.000 4.354 133 c HA -0.049 4.520 4.570 -0.002 0.000 0.307 133 c C 0.309 174.380 174.090 -0.032 0.000 1.318 133 c CA -0.635 55.662 56.329 -0.054 0.000 2.060 133 c CB -3.235 39.200 42.510 -0.125 0.000 1.283 133 c HN 0.284 nan 8.230 nan 0.000 0.723 134 V N -1.052 118.869 119.914 0.013 0.000 2.384 134 V HA 0.555 4.674 4.120 -0.002 0.000 0.287 134 V C 0.336 176.408 176.094 -0.037 0.000 1.020 134 V CA -0.503 61.789 62.300 -0.013 0.000 0.850 134 V CB 1.390 33.224 31.823 0.017 0.000 0.987 134 V HN 0.518 nan 8.190 nan 0.000 0.436 135 Q N 3.045 122.767 119.800 -0.130 0.000 2.432 135 Q HA 0.614 4.953 4.340 -0.002 0.000 0.264 135 Q C 0.437 176.411 176.000 -0.043 0.000 1.035 135 Q CA 0.534 56.208 55.803 -0.215 0.000 0.908 135 Q CB 1.317 29.662 28.738 -0.655 0.000 1.280 135 Q HN 1.195 nan 8.270 nan 0.000 0.455 136 G N 0.256 109.129 108.800 0.122 0.000 2.441 136 G HA2 0.278 4.237 3.960 -0.002 0.000 0.294 136 G HA3 0.278 4.237 3.960 -0.002 0.000 0.294 136 G C -1.786 173.409 174.900 0.491 0.000 1.393 136 G CA -0.907 44.368 45.100 0.293 0.000 0.796 136 G HN 0.584 nan 8.290 nan 0.000 0.494 137 D N -0.184 120.575 120.400 0.598 0.000 4.543 137 D HA -0.096 4.543 4.640 -0.002 0.000 0.236 137 D C 0.618 177.040 176.300 0.203 0.000 1.047 137 D CA 0.876 55.031 54.000 0.257 0.000 1.254 137 D CB 0.211 41.038 40.800 0.045 0.000 0.762 137 D HN 0.451 nan 8.370 nan 0.000 0.381 138 E N 0.041 120.372 120.200 0.217 0.000 2.465 138 E HA 0.033 4.382 4.350 -0.002 0.000 0.191 138 E C 0.732 177.581 176.600 0.416 0.000 1.053 138 E CA -0.042 56.509 56.400 0.251 0.000 0.869 138 E CB 0.188 29.997 29.700 0.181 0.000 0.977 138 E HN 0.513 nan 8.360 nan 0.000 0.483 139 c N 1.277 120.128 118.600 0.418 0.000 2.415 139 c HA 0.479 5.048 4.570 -0.002 0.000 0.369 139 c C -0.502 173.806 174.090 0.364 0.000 1.279 139 c CA -0.668 55.849 56.329 0.313 0.000 1.886 139 c CB -0.978 41.637 42.510 0.176 0.000 2.468 139 c HN 0.180 nan 8.230 nan 0.000 0.553 140 F N 9.329 129.385 119.950 0.177 0.000 2.610 140 F HA 0.606 5.132 4.527 -0.002 0.000 0.355 140 F C -2.673 173.196 175.800 0.115 0.000 1.140 140 F CA -3.079 55.037 58.000 0.193 0.000 1.037 140 F CB 1.392 40.659 39.000 0.444 0.000 1.287 140 F HN 0.459 nan 8.300 nan 0.000 0.457 141 P HA 0.429 nan 4.420 nan 0.000 0.286 141 P C -0.471 176.552 177.300 -0.461 0.000 1.261 141 P CA -0.354 62.584 63.100 -0.271 0.000 0.821 141 P CB 1.629 33.194 31.700 -0.225 0.000 1.013 142 I N 2.903 123.219 120.570 -0.423 0.000 2.281 142 I HA 0.178 4.346 4.170 -0.002 0.000 0.293 142 I C 0.741 176.580 176.117 -0.464 0.000 1.085 142 I CA -0.319 60.722 61.300 -0.432 0.000 1.257 142 I CB -0.076 37.722 38.000 -0.337 0.000 1.430 142 I HN 0.111 nan 8.210 nan 0.000 0.489 143 M N 5.365 124.742 119.600 -0.371 0.000 2.226 143 M HA 0.323 4.802 4.480 -0.002 0.000 0.324 143 M C -0.247 175.916 176.300 -0.229 0.000 1.112 143 M CA 0.196 55.288 55.300 -0.347 0.000 1.176 143 M CB 0.205 32.689 32.600 -0.193 0.000 1.430 143 M HN 0.279 nan 8.290 nan 0.000 0.462 144 F N 3.005 122.899 119.950 -0.094 0.000 2.408 144 F HA 0.354 4.880 4.527 -0.002 0.000 0.344 144 F C -1.388 174.373 175.800 -0.066 0.000 1.112 144 F CA -1.812 56.139 58.000 -0.081 0.000 1.096 144 F CB 1.207 40.159 39.000 -0.081 0.000 1.129 144 F HN 0.374 nan 8.300 nan 0.000 0.486 145 P HA 0.085 nan 4.420 nan 0.000 0.277 145 P C -1.081 176.238 177.300 0.031 0.000 1.271 145 P CA -0.776 62.356 63.100 0.054 0.000 0.795 145 P CB 0.906 32.622 31.700 0.026 0.000 1.101 146 K N 0.905 121.311 120.400 0.010 0.000 2.489 146 K HA -0.065 4.254 4.320 -0.002 0.000 0.278 146 K C 0.086 176.675 176.600 -0.018 0.000 1.000 146 K CA 0.427 56.713 56.287 -0.002 0.000 1.012 146 K CB -0.846 31.652 32.500 -0.005 0.000 0.903 146 K HN 0.454 nan 8.250 nan 0.000 0.485 147 N N 1.939 120.623 118.700 -0.027 0.000 2.754 147 N HA -0.232 4.506 4.740 -0.002 0.000 0.248 147 N C -1.465 174.004 175.510 -0.068 0.000 1.093 147 N CA 0.875 53.900 53.050 -0.042 0.000 0.699 147 N CB -0.844 37.624 38.487 -0.032 0.000 1.016 147 N HN 0.666 nan 8.380 nan 0.000 0.552 148 D N -0.454 119.889 120.400 -0.096 0.000 2.304 148 D HA 0.214 4.853 4.640 -0.002 0.000 0.250 148 D C -1.511 174.666 176.300 -0.204 0.000 1.107 148 D CA -2.106 51.786 54.000 -0.179 0.000 0.885 148 D CB 1.007 41.635 40.800 -0.287 0.000 1.192 148 D HN -0.039 nan 8.370 nan 0.000 0.436 149 P HA 0.020 nan 4.420 nan 0.000 0.245 149 P C 0.567 177.724 177.300 -0.238 0.000 1.212 149 P CA 0.382 63.376 63.100 -0.176 0.000 0.774 149 P CB 0.346 31.966 31.700 -0.134 0.000 0.999 150 K N -0.498 119.656 120.400 -0.410 0.000 2.305 150 K HA 0.128 4.447 4.320 -0.002 0.000 0.199 150 K C 1.845 178.196 176.600 -0.416 0.000 1.047 150 K CA 0.444 56.413 56.287 -0.529 0.000 0.976 150 K CB -0.498 31.383 32.500 -1.031 0.000 0.765 150 K HN 0.274 nan 8.250 nan 0.000 0.474 151 L N 1.218 122.236 121.223 -0.342 0.000 2.012 151 L HA -0.212 4.126 4.340 -0.002 0.000 0.210 151 L C 2.188 179.023 176.870 -0.059 0.000 1.073 151 L CA 1.584 56.367 54.840 -0.094 0.000 0.748 151 L CB -0.287 41.737 42.059 -0.057 0.000 0.891 151 L HN 0.141 nan 8.230 nan 0.000 0.431 152 K N -1.249 119.099 120.400 -0.086 0.000 2.283 152 K HA -0.063 4.256 4.320 -0.002 0.000 0.202 152 K C 1.681 178.248 176.600 -0.055 0.000 1.048 152 K CA 1.466 57.717 56.287 -0.060 0.000 0.948 152 K CB 0.025 32.488 32.500 -0.062 0.000 0.742 152 K HN 0.370 nan 8.250 nan 0.000 0.458 153 T N -0.280 114.231 114.554 -0.072 0.000 3.056 153 T HA 0.053 4.401 4.350 -0.002 0.000 0.243 153 T C 1.653 176.326 174.700 -0.046 0.000 0.995 153 T CA 0.194 62.258 62.100 -0.059 0.000 1.091 153 T CB 0.330 69.155 68.868 -0.073 0.000 0.990 153 T HN 0.089 nan 8.240 nan 0.000 0.464 154 Q N 0.111 119.887 119.800 -0.041 0.000 2.388 154 Q HA 0.486 4.825 4.340 -0.002 0.000 0.204 154 Q C 1.116 177.124 176.000 0.013 0.000 0.946 154 Q CA 0.562 56.355 55.803 -0.017 0.000 0.880 154 Q CB 0.873 29.604 28.738 -0.012 0.000 0.997 154 Q HN 0.501 nan 8.270 nan 0.000 0.552 155 G N -0.415 108.447 108.800 0.103 0.000 2.392 155 G HA2 0.081 4.040 3.960 -0.002 0.000 0.260 155 G HA3 0.081 4.040 3.960 -0.002 0.000 0.260 155 G C -0.969 174.026 174.900 0.158 0.000 1.226 155 G CA -0.545 44.590 45.100 0.058 0.000 0.913 155 G HN -0.050 nan 8.290 nan 0.000 0.483 156 K N -0.932 119.467 120.400 -0.001 0.000 2.352 156 K HA 0.370 4.688 4.320 -0.002 0.000 0.194 156 K C 0.509 176.845 176.600 -0.440 0.000 1.038 156 K CA 0.856 57.128 56.287 -0.026 0.000 1.023 156 K CB 0.502 32.961 32.500 -0.068 0.000 0.840 156 K HN 0.786 nan 8.250 nan 0.000 0.519 157 c N -1.938 116.218 118.600 -0.739 0.000 3.321 157 c HA 0.609 5.177 4.570 -0.002 0.000 0.329 157 c C -1.341 172.236 174.090 -0.855 0.000 1.394 157 c CA -1.348 54.356 56.329 -1.042 0.000 1.291 157 c CB 0.805 43.001 42.510 -0.524 0.000 1.606 157 c HN 0.067 nan 8.230 nan 0.000 0.463 158 M N 3.359 122.558 119.600 -0.668 0.000 2.167 158 M HA 0.456 4.935 4.480 -0.002 0.000 0.333 158 M C -2.371 173.827 176.300 -0.170 0.000 1.030 158 M CA -1.622 53.489 55.300 -0.315 0.000 0.963 158 M CB 2.268 34.801 32.600 -0.111 0.000 1.589 158 M HN 0.599 nan 8.290 nan 0.000 0.431 159 P HA 0.083 nan 4.420 nan 0.000 0.267 159 P C -1.348 175.874 177.300 -0.130 0.000 1.205 159 P CA 0.250 63.215 63.100 -0.224 0.000 0.765 159 P CB 0.213 31.717 31.700 -0.327 0.000 0.828 160 F N 4.539 124.235 119.950 -0.424 0.000 2.617 160 F HA 0.471 4.996 4.527 -0.002 0.000 0.325 160 F C -1.518 174.110 175.800 -0.288 0.000 1.179 160 F CA -0.984 56.845 58.000 -0.286 0.000 0.965 160 F CB 0.931 39.809 39.000 -0.203 0.000 1.232 160 F HN 0.090 nan 8.300 nan 0.000 0.461 161 F N 4.957 124.691 119.950 -0.359 0.000 2.399 161 F HA 0.584 5.110 4.527 -0.002 0.000 0.334 161 F C 0.716 176.297 175.800 -0.365 0.000 1.097 161 F CA -0.818 57.059 58.000 -0.205 0.000 1.076 161 F CB 1.183 40.105 39.000 -0.131 0.000 1.162 161 F HN 0.282 nan 8.300 nan 0.000 0.495 162 R N 1.368 121.955 120.500 0.144 0.000 2.641 162 R HA 0.539 4.878 4.340 -0.002 0.000 0.269 162 R C -0.239 176.086 176.300 0.043 0.000 1.074 162 R CA -0.651 55.522 56.100 0.121 0.000 1.133 162 R CB 0.575 30.961 30.300 0.143 0.000 1.029 162 R HN 0.717 nan 8.270 nan 0.000 0.488 163 A N 1.337 124.184 122.820 0.045 0.000 2.388 163 A HA 0.388 4.707 4.320 -0.002 0.000 0.257 163 A C 0.544 178.153 177.584 0.042 0.000 1.095 163 A CA -0.159 51.889 52.037 0.018 0.000 0.791 163 A CB 0.479 19.520 19.000 0.069 0.000 1.029 163 A HN 0.787 nan 8.150 nan 0.000 0.489 164 G N 0.626 109.447 108.800 0.034 0.000 2.414 164 G HA2 0.421 4.380 3.960 -0.002 0.000 0.236 164 G HA3 0.421 4.380 3.960 -0.002 0.000 0.236 164 G C -0.228 174.773 174.900 0.168 0.000 1.293 164 G CA 0.164 45.326 45.100 0.102 0.000 0.869 164 G HN 0.921 nan 8.290 nan 0.000 0.556 165 F N 0.591 120.459 119.950 -0.137 0.000 2.654 165 F HA 0.770 5.296 4.527 -0.002 0.000 0.334 165 F C 0.283 176.020 175.800 -0.104 0.000 1.078 165 F CA -2.044 55.881 58.000 -0.125 0.000 0.986 165 F CB 0.215 39.134 39.000 -0.136 0.000 1.362 165 F HN 0.552 nan 8.300 nan 0.000 0.498 166 V N -2.188 117.719 119.914 -0.012 0.000 3.641 166 V HA 0.453 4.572 4.120 -0.002 0.000 0.286 166 V C 0.902 176.907 176.094 -0.147 0.000 1.027 166 V CA -0.760 61.489 62.300 -0.086 0.000 1.032 166 V CB 0.148 31.968 31.823 -0.006 0.000 1.238 166 V HN 1.373 nan 8.190 nan 0.000 0.439 167 c N -1.424 117.125 118.600 -0.086 0.000 0.178 167 c HA -0.182 4.387 4.570 -0.002 0.000 0.017 167 c C -1.001 172.962 174.090 -0.212 0.000 0.173 167 c CA 1.141 57.424 56.329 -0.077 0.000 0.499 167 c CB -3.183 39.347 42.510 0.033 0.000 3.212 167 c HN 1.116 nan 8.230 nan 0.000 1.118 168 P HA 0.382 nan 4.420 nan 0.000 0.346 168 P C 0.164 177.082 177.300 -0.636 0.000 1.303 168 P CA 0.713 63.566 63.100 -0.411 0.000 0.801 168 P CB 0.355 31.811 31.700 -0.406 0.000 1.827 169 T N -2.037 112.198 114.554 -0.532 0.000 3.040 169 T HA 0.295 4.644 4.350 -0.002 0.000 0.266 169 T C -1.708 172.826 174.700 -0.275 0.000 1.005 169 T CA -0.193 61.614 62.100 -0.488 0.000 0.906 169 T CB -0.811 67.886 68.868 -0.284 0.000 1.082 169 T HN 0.352 nan 8.240 nan 0.000 0.531 170 P HA 0.308 nan 4.420 nan 0.000 0.330 170 P C -1.918 175.480 177.300 0.163 0.000 1.414 170 P CA -0.317 62.730 63.100 -0.087 0.000 0.878 170 P CB -0.172 31.397 31.700 -0.218 0.000 2.176 171 P HA 0.138 nan 4.420 nan 0.000 0.193 171 P C -0.593 176.831 177.300 0.208 0.000 1.020 171 P CA 0.399 63.574 63.100 0.125 0.000 0.976 171 P CB 0.447 32.160 31.700 0.022 0.000 0.762 172 Y N -1.480 118.836 120.300 0.026 0.000 2.500 172 Y HA -0.186 4.362 4.550 -0.003 0.000 0.115 172 Y C -0.106 175.770 175.900 -0.039 0.000 1.696 172 Y CA -0.366 57.734 58.100 0.000 0.000 1.423 172 Y CB -1.899 36.573 38.460 0.020 0.000 2.068 172 Y HN 0.215 nan 8.280 nan 0.000 0.253 173 Q N -1.687 118.151 119.800 0.064 0.000 2.553 173 Q HA 0.786 5.125 4.340 -0.002 0.000 0.293 173 Q C 0.221 176.196 176.000 -0.042 0.000 1.038 173 Q CA -0.359 55.430 55.803 -0.023 0.000 0.777 173 Q CB 2.206 30.912 28.738 -0.053 0.000 1.487 173 Q HN 0.622 nan 8.270 nan 0.000 0.426 174 S N -1.079 114.592 115.700 -0.047 0.000 2.319 174 S HA -0.116 4.353 4.470 -0.002 0.000 0.253 174 S C -0.671 173.918 174.600 -0.018 0.000 1.235 174 S CA 0.905 59.085 58.200 -0.034 0.000 1.388 174 S CB -0.437 62.742 63.200 -0.034 0.000 1.723 174 S HN 0.519 nan 8.310 nan 0.000 0.611 175 L N 1.063 122.270 121.223 -0.026 0.000 2.464 175 L HA 0.764 5.103 4.340 -0.002 0.000 0.266 175 L C 0.196 177.020 176.870 -0.077 0.000 0.965 175 L CA 0.127 54.945 54.840 -0.035 0.000 0.833 175 L CB 1.410 43.471 42.059 0.002 0.000 1.296 175 L HN 0.303 nan 8.230 nan 0.000 0.405 176 A N 4.728 127.480 122.820 -0.114 0.000 2.616 176 A HA 0.081 4.399 4.320 -0.002 0.000 0.234 176 A C 0.431 177.963 177.584 -0.086 0.000 1.024 176 A CA 0.327 52.305 52.037 -0.099 0.000 0.758 176 A CB -0.145 18.801 19.000 -0.091 0.000 0.939 176 A HN 0.732 nan 8.150 nan 0.000 0.510 177 R N 2.227 122.677 120.500 -0.084 0.000 2.254 177 R HA 0.495 4.834 4.340 -0.002 0.000 0.318 177 R C -1.393 174.921 176.300 0.023 0.000 1.031 177 R CA -0.617 55.452 56.100 -0.052 0.000 0.905 177 R CB 0.970 31.168 30.300 -0.170 0.000 1.050 177 R HN 0.567 nan 8.270 nan 0.000 0.456 178 D N 3.035 123.453 120.400 0.030 0.000 2.229 178 D HA 0.161 4.800 4.640 -0.002 0.000 0.249 178 D C -0.303 176.025 176.300 0.046 0.000 1.027 178 D CA -0.526 53.496 54.000 0.037 0.000 0.923 178 D CB 1.664 42.475 40.800 0.018 0.000 1.174 178 D HN 0.486 nan 8.370 nan 0.000 0.443 179 Q N 0.267 120.078 119.800 0.018 0.000 2.199 179 Q HA 0.552 4.891 4.340 -0.002 0.000 0.232 179 Q C -0.332 175.675 176.000 0.013 0.000 0.969 179 Q CA -0.539 55.255 55.803 -0.014 0.000 0.925 179 Q CB 1.858 30.488 28.738 -0.180 0.000 1.198 179 Q HN 0.457 nan 8.270 nan 0.000 0.494 180 I N 0.828 121.391 120.570 -0.012 0.000 2.437 180 I HA 0.329 4.498 4.170 -0.002 0.000 0.298 180 I C -0.972 175.124 176.117 -0.034 0.000 0.984 180 I CA -0.673 60.607 61.300 -0.033 0.000 1.214 180 I CB 1.108 39.062 38.000 -0.076 0.000 1.365 180 I HN 0.503 nan 8.210 nan 0.000 0.469 181 N N 5.306 123.994 118.700 -0.019 0.000 2.437 181 N HA 0.404 5.143 4.740 -0.002 0.000 0.259 181 N C 0.033 175.539 175.510 -0.007 0.000 0.983 181 N CA -0.238 52.810 53.050 -0.004 0.000 0.937 181 N CB 1.755 40.248 38.487 0.011 0.000 1.122 181 N HN 0.682 nan 8.380 nan 0.000 0.499 182 A N 2.504 125.318 122.820 -0.010 0.000 2.337 182 A HA 0.269 4.588 4.320 -0.002 0.000 0.227 182 A C 0.231 177.875 177.584 0.101 0.000 1.259 182 A CA 0.076 52.119 52.037 0.010 0.000 0.870 182 A CB -0.386 18.568 19.000 -0.077 0.000 0.927 182 A HN 0.467 nan 8.150 nan 0.000 0.497 183 V N -3.879 116.099 119.914 0.106 0.000 3.130 183 V HA 0.728 4.847 4.120 -0.002 0.000 0.310 183 V C -0.074 176.072 176.094 0.087 0.000 1.158 183 V CA -0.370 61.999 62.300 0.115 0.000 1.029 183 V CB 0.945 32.849 31.823 0.135 0.000 1.057 183 V HN 0.353 nan 8.190 nan 0.000 0.436 184 T N -0.465 114.155 114.554 0.111 0.000 2.888 184 T HA 0.214 4.562 4.350 -0.002 0.000 0.301 184 T C 1.042 175.763 174.700 0.035 0.000 1.001 184 T CA 0.504 62.667 62.100 0.105 0.000 1.147 184 T CB 0.862 69.872 68.868 0.236 0.000 0.931 184 T HN 0.861 nan 8.240 nan 0.000 0.541 185 S N 1.887 117.488 115.700 -0.165 0.000 2.447 185 S HA 0.094 4.563 4.470 -0.002 0.000 0.233 185 S C 0.352 174.839 174.600 -0.189 0.000 1.006 185 S CA 0.313 58.370 58.200 -0.238 0.000 0.957 185 S CB -0.518 62.454 63.200 -0.381 0.000 0.773 185 S HN 0.692 nan 8.310 nan 0.000 0.507 186 F N 1.093 121.144 119.950 0.168 0.000 2.459 186 F HA 0.307 4.833 4.527 -0.002 0.000 0.346 186 F C 0.338 176.288 175.800 0.251 0.000 1.128 186 F CA -1.329 56.803 58.000 0.221 0.000 1.268 186 F CB 0.196 39.334 39.000 0.231 0.000 1.161 186 F HN -0.068 nan 8.300 nan 0.000 0.583 187 L N 4.174 125.711 121.223 0.523 0.000 2.395 187 L HA 0.191 4.530 4.340 -0.002 0.000 0.268 187 L C 0.065 177.179 176.870 0.407 0.000 1.223 187 L CA 0.059 55.178 54.840 0.465 0.000 1.093 187 L CB -1.236 41.184 42.059 0.601 0.000 1.349 187 L HN 0.624 nan 8.230 nan 0.000 0.427 188 D N 2.248 122.853 120.400 0.342 0.000 2.620 188 D HA 0.252 4.891 4.640 -0.002 0.000 0.260 188 D C 0.577 177.041 176.300 0.274 0.000 1.367 188 D CA 0.203 54.378 54.000 0.292 0.000 0.805 188 D CB 0.035 40.998 40.800 0.271 0.000 1.096 188 D HN 0.400 nan 8.370 nan 0.000 0.488 189 A N 0.396 123.369 122.820 0.255 0.000 2.800 189 A HA -0.193 4.126 4.320 -0.002 0.000 0.292 189 A C 1.471 179.192 177.584 0.229 0.000 1.474 189 A CA 0.856 53.029 52.037 0.227 0.000 0.744 189 A CB -2.580 16.610 19.000 0.317 0.000 1.044 189 A HN 0.376 nan 8.150 nan 0.000 0.489 190 S N -0.611 115.204 115.700 0.190 0.000 2.481 190 S HA -0.023 4.446 4.470 -0.002 0.000 0.231 190 S C 1.728 176.402 174.600 0.122 0.000 0.996 190 S CA 1.230 59.534 58.200 0.173 0.000 0.942 190 S CB -0.523 62.775 63.200 0.163 0.000 0.768 190 S HN 1.457 nan 8.310 nan 0.000 0.520 191 L N -1.182 120.089 121.223 0.080 0.000 2.341 191 L HA 0.230 4.569 4.340 -0.002 0.000 0.214 191 L C 1.686 178.597 176.870 0.068 0.000 1.115 191 L CA 0.521 55.409 54.840 0.080 0.000 0.820 191 L CB -0.369 41.698 42.059 0.013 0.000 0.944 191 L HN 0.091 nan 8.230 nan 0.000 0.452 192 V N -1.282 118.592 119.914 -0.067 0.000 2.672 192 V HA 0.005 4.124 4.120 -0.002 0.000 0.242 192 V C 1.597 177.472 176.094 -0.365 0.000 1.059 192 V CA 0.880 63.007 62.300 -0.290 0.000 1.081 192 V CB -0.428 31.049 31.823 -0.577 0.000 0.752 192 V HN 0.336 nan 8.190 nan 0.000 0.472 193 Y N 0.840 121.175 120.300 0.059 0.000 2.444 193 Y HA 0.595 5.144 4.550 -0.002 0.000 0.249 193 Y C 1.329 177.278 175.900 0.082 0.000 1.134 193 Y CA 0.123 58.268 58.100 0.075 0.000 1.261 193 Y CB 0.360 38.872 38.460 0.088 0.000 1.143 193 Y HN 0.321 nan 8.280 nan 0.000 0.523 194 G N -0.095 108.817 108.800 0.187 0.000 2.692 194 G HA2 -0.163 3.796 3.960 -0.002 0.000 0.686 194 G HA3 -0.163 3.796 3.960 -0.002 0.000 0.686 194 G C 0.263 175.252 174.900 0.148 0.000 1.243 194 G CA -0.165 45.019 45.100 0.140 0.000 0.782 194 G HN 0.032 nan 8.290 nan 0.000 0.625 195 S N 0.572 116.345 115.700 0.121 0.000 2.554 195 S HA 0.289 4.758 4.470 -0.002 0.000 0.226 195 S C 0.415 175.071 174.600 0.093 0.000 0.980 195 S CA 0.489 58.759 58.200 0.117 0.000 0.939 195 S CB 0.143 63.414 63.200 0.118 0.000 0.832 195 S HN 0.566 nan 8.310 nan 0.000 0.486 196 E N 1.867 122.116 120.200 0.082 0.000 2.224 196 E HA 0.356 4.705 4.350 -0.002 0.000 0.265 196 E C -2.828 173.804 176.600 0.053 0.000 0.878 196 E CA -2.261 54.175 56.400 0.059 0.000 0.759 196 E CB 1.671 31.400 29.700 0.048 0.000 1.164 196 E HN 0.025 nan 8.360 nan 0.000 0.414 200 A N -0.203 122.640 122.820 0.038 0.000 2.032 200 A HA -0.187 4.132 4.320 -0.002 0.000 0.221 200 A C 2.265 179.834 177.584 -0.024 0.000 1.165 200 A CA 2.519 54.584 52.037 0.047 0.000 0.645 200 A CB -0.885 18.164 19.000 0.082 0.000 0.807 200 A HN 0.571 nan 8.150 nan 0.000 0.453 201 S N -1.068 114.609 115.700 -0.038 0.000 2.357 201 S HA -0.135 4.334 4.470 -0.002 0.000 0.221 201 S C 2.196 176.761 174.600 -0.058 0.000 1.031 201 S CA 1.170 59.328 58.200 -0.070 0.000 0.982 201 S CB -0.334 62.836 63.200 -0.049 0.000 0.853 201 S HN 0.631 nan 8.310 nan 0.000 0.458 202 R N 0.350 120.833 120.500 -0.029 0.000 2.127 202 R HA 0.006 4.345 4.340 -0.002 0.000 0.238 202 R C 2.040 178.326 176.300 -0.023 0.000 1.134 202 R CA 1.233 57.322 56.100 -0.019 0.000 0.975 202 R CB -0.344 29.953 30.300 -0.004 0.000 0.865 202 R HN 0.436 nan 8.270 nan 0.000 0.447 203 L N 0.125 121.334 121.223 -0.023 0.000 2.376 203 L HA -0.032 4.307 4.340 -0.002 0.000 0.219 203 L C 0.818 177.659 176.870 -0.047 0.000 1.133 203 L CA 0.654 55.477 54.840 -0.027 0.000 0.816 203 L CB -0.136 41.919 42.059 -0.007 0.000 0.933 203 L HN 0.064 nan 8.230 nan 0.000 0.449 204 R N 0.387 120.844 120.500 -0.071 0.000 2.500 204 R HA 0.139 4.478 4.340 -0.002 0.000 0.277 204 R C 0.208 176.472 176.300 -0.061 0.000 1.026 204 R CA -0.555 55.487 56.100 -0.097 0.000 1.058 204 R CB 0.545 30.718 30.300 -0.211 0.000 1.078 204 R HN -0.139 nan 8.270 nan 0.000 0.509 205 N N 3.029 121.707 118.700 -0.036 0.000 3.034 205 N HA 0.061 4.800 4.740 -0.002 0.000 0.265 205 N C 0.481 175.981 175.510 -0.017 0.000 1.166 205 N CA 0.045 53.087 53.050 -0.013 0.000 1.081 205 N CB 0.278 38.773 38.487 0.013 0.000 1.378 205 N HN 0.561 nan 8.380 nan 0.000 0.520 206 L N 0.400 121.601 121.223 -0.036 0.000 2.240 206 L HA -0.065 4.274 4.340 -0.002 0.000 0.211 206 L C 1.839 178.700 176.870 -0.016 0.000 1.106 206 L CA 0.671 55.487 54.840 -0.040 0.000 0.793 206 L CB -0.233 41.791 42.059 -0.057 0.000 0.927 206 L HN 0.386 nan 8.230 nan 0.000 0.446 207 S N -1.284 114.413 115.700 -0.006 0.000 2.727 207 S HA 0.017 4.486 4.470 -0.002 0.000 0.226 207 S C 0.710 175.317 174.600 0.012 0.000 0.963 207 S CA -0.015 58.188 58.200 0.004 0.000 0.950 207 S CB -0.626 62.578 63.200 0.007 0.000 0.779 207 S HN 0.424 nan 8.310 nan 0.000 0.532 208 S N 0.441 116.150 115.700 0.014 0.000 2.599 208 S HA 0.685 5.154 4.470 -0.002 0.000 0.294 208 S C -2.805 171.810 174.600 0.025 0.000 1.094 208 S CA -1.349 56.865 58.200 0.023 0.000 0.931 208 S CB 1.848 65.067 63.200 0.031 0.000 1.093 208 S HN 0.089 nan 8.310 nan 0.000 0.488 209 P HA 0.336 nan 4.420 nan 0.000 0.262 209 P C 0.562 177.892 177.300 0.049 0.000 1.304 209 P CA -0.087 63.035 63.100 0.037 0.000 0.859 209 P CB -0.142 31.580 31.700 0.038 0.000 1.310 210 L N -1.322 119.932 121.223 0.052 0.000 2.567 210 L HA 0.333 4.672 4.340 -0.002 0.000 0.225 210 L C 1.318 178.237 176.870 0.083 0.000 1.119 210 L CA 0.557 55.432 54.840 0.059 0.000 0.871 210 L CB -0.903 41.185 42.059 0.048 0.000 1.036 210 L HN 0.054 nan 8.230 nan 0.000 0.459 211 G N 1.137 109.997 108.800 0.100 0.000 2.246 211 G HA2 -0.249 3.710 3.960 -0.002 0.000 0.273 211 G HA3 -0.249 3.710 3.960 -0.002 0.000 0.273 211 G C -0.278 174.790 174.900 0.281 0.000 1.055 211 G CA -0.179 45.023 45.100 0.170 0.000 0.851 211 G HN 0.091 nan 8.290 nan 0.000 0.500 212 L N 0.036 121.382 121.223 0.205 0.000 2.399 212 L HA 0.709 5.048 4.340 -0.002 0.000 0.265 212 L C 1.047 178.028 176.870 0.186 0.000 1.089 212 L CA -0.794 54.193 54.840 0.245 0.000 0.802 212 L CB 1.002 43.140 42.059 0.131 0.000 1.180 212 L HN 0.177 nan 8.230 nan 0.000 0.454 213 M N 1.603 121.284 119.600 0.136 0.000 2.249 213 M HA 0.360 4.839 4.480 -0.002 0.000 0.351 213 M C 0.197 176.484 176.300 -0.022 0.000 1.180 213 M CA -0.518 54.768 55.300 -0.023 0.000 1.127 213 M CB 0.939 33.445 32.600 -0.156 0.000 1.546 213 M HN 0.674 nan 8.290 nan 0.000 0.461 214 A N 3.188 125.981 122.820 -0.044 0.000 2.498 214 A HA 0.462 4.780 4.320 -0.002 0.000 0.239 214 A C 0.157 177.684 177.584 -0.096 0.000 1.068 214 A CA -0.447 51.559 52.037 -0.051 0.000 0.766 214 A CB 0.006 18.979 19.000 -0.045 0.000 1.003 214 A HN 0.800 nan 8.150 nan 0.000 0.497 215 V N 0.555 120.398 119.914 -0.119 0.000 3.158 215 V HA 0.569 4.688 4.120 -0.002 0.000 0.315 215 V C 0.165 176.097 176.094 -0.269 0.000 1.148 215 V CA -1.441 60.726 62.300 -0.223 0.000 1.042 215 V CB 1.659 33.317 31.823 -0.276 0.000 1.101 215 V HN 0.823 nan 8.190 nan 0.000 0.448 216 N N 1.546 119.995 118.700 -0.418 0.000 2.497 216 N HA 0.195 4.934 4.740 -0.002 0.000 0.268 216 N C 0.422 175.669 175.510 -0.439 0.000 1.171 216 N CA 0.046 52.831 53.050 -0.443 0.000 0.948 216 N CB 1.417 39.568 38.487 -0.559 0.000 1.069 216 N HN 0.756 nan 8.380 nan 0.000 0.460 217 Q N 1.936 121.635 119.800 -0.168 0.000 2.282 217 Q HA 0.071 4.410 4.340 -0.002 0.000 0.206 217 Q C 0.254 176.344 176.000 0.149 0.000 0.878 217 Q CA 0.395 56.222 55.803 0.040 0.000 0.944 217 Q CB 0.619 29.416 28.738 0.099 0.000 1.100 217 Q HN 0.603 nan 8.270 nan 0.000 0.509 218 E N 0.438 120.695 120.200 0.095 0.000 2.244 218 E HA 0.209 4.557 4.350 -0.002 0.000 0.196 218 E C -0.075 176.678 176.600 0.255 0.000 0.939 218 E CA 0.422 56.968 56.400 0.243 0.000 0.884 218 E CB 0.647 30.594 29.700 0.411 0.000 0.850 218 E HN 0.178 nan 8.360 nan 0.000 0.481 219 A N -0.151 122.729 122.820 0.101 0.000 2.355 219 A HA 0.681 5.000 4.320 -0.002 0.000 0.324 219 A C -1.598 175.918 177.584 -0.114 0.000 1.117 219 A CA -0.508 51.646 52.037 0.196 0.000 0.785 219 A CB 0.665 19.889 19.000 0.373 0.000 1.254 219 A HN 0.169 nan 8.150 nan 0.000 0.453 220 W N -0.050 121.260 121.300 0.017 0.000 3.033 220 W HA 0.509 5.168 4.660 -0.002 0.000 0.336 220 W C -0.996 175.294 176.519 -0.382 0.000 1.173 220 W CA -0.086 57.123 57.345 -0.226 0.000 1.185 220 W CB 2.146 31.536 29.460 -0.116 0.000 1.425 220 W HN 0.604 nan 8.180 nan 0.000 0.536 221 D N 1.605 121.823 120.400 -0.304 0.000 2.434 221 D HA 0.169 4.807 4.640 -0.002 0.000 0.275 221 D C 0.025 176.230 176.300 -0.159 0.000 1.172 221 D CA -0.018 53.733 54.000 -0.416 0.000 0.916 221 D CB -0.273 40.172 40.800 -0.591 0.000 1.041 221 D HN 0.501 nan 8.370 nan 0.000 0.501 222 H N 1.621 120.753 119.070 0.104 0.000 2.713 222 H HA -0.202 4.353 4.556 -0.002 0.000 0.311 222 H C 1.334 176.739 175.328 0.128 0.000 1.175 222 H CA 1.263 57.374 56.048 0.105 0.000 1.143 222 H CB -1.488 28.343 29.762 0.115 0.000 1.434 222 H HN 0.710 nan 8.280 nan 0.000 0.418 223 G N -1.332 107.568 108.800 0.167 0.000 2.284 223 G HA2 -0.304 3.655 3.960 -0.002 0.000 0.230 223 G HA3 -0.304 3.655 3.960 -0.002 0.000 0.230 223 G C 0.398 175.444 174.900 0.243 0.000 1.021 223 G CA 0.180 45.341 45.100 0.101 0.000 0.619 223 G HN 0.446 nan 8.290 nan 0.000 0.510 224 L N 1.106 122.444 121.223 0.193 0.000 2.439 224 L HA 0.769 5.108 4.340 -0.002 0.000 0.259 224 L C 0.757 177.605 176.870 -0.037 0.000 1.129 224 L CA -0.294 54.590 54.840 0.072 0.000 0.803 224 L CB 1.422 43.443 42.059 -0.064 0.000 1.161 224 L HN 0.443 nan 8.230 nan 0.000 0.462 225 A N 0.678 123.348 122.820 -0.250 0.000 2.374 225 A HA 0.698 5.017 4.320 -0.002 0.000 0.317 225 A C -1.209 176.029 177.584 -0.578 0.000 1.094 225 A CA -0.482 51.186 52.037 -0.616 0.000 0.765 225 A CB 0.677 19.265 19.000 -0.687 0.000 1.268 225 A HN 0.558 nan 8.150 nan 0.000 0.438 226 Y N 1.017 121.019 120.300 -0.498 0.000 2.334 226 Y HA 0.413 4.962 4.550 -0.002 0.000 0.325 226 Y C -1.862 173.679 175.900 -0.599 0.000 1.308 226 Y CA -2.090 55.684 58.100 -0.544 0.000 1.389 226 Y CB 0.539 38.719 38.460 -0.466 0.000 1.328 226 Y HN 0.443 nan 8.280 nan 0.000 0.532 227 P HA 0.085 nan 4.420 nan 0.000 0.272 227 P C -2.629 174.480 177.300 -0.319 0.000 1.240 227 P CA -1.264 61.578 63.100 -0.430 0.000 0.791 227 P CB -0.020 31.382 31.700 -0.497 0.000 0.978 228 P HA 0.123 nan 4.420 nan 0.000 0.271 228 P C -0.565 176.730 177.300 -0.009 0.000 1.216 228 P CA 0.047 63.053 63.100 -0.156 0.000 0.776 228 P CB 0.064 31.720 31.700 -0.073 0.000 0.881 229 F N 1.558 121.570 119.950 0.104 0.000 2.578 229 F HA 0.043 4.569 4.527 -0.002 0.000 0.381 229 F C 1.569 177.408 175.800 0.066 0.000 1.069 229 F CA 0.207 58.268 58.000 0.102 0.000 1.231 229 F CB -0.422 38.619 39.000 0.068 0.000 1.086 229 F HN 0.251 nan 8.300 nan 0.000 0.564 230 N N 4.148 123.015 118.700 0.278 0.000 2.415 230 N HA -0.021 4.718 4.740 -0.002 0.000 0.250 230 N C -0.011 175.571 175.510 0.120 0.000 1.127 230 N CA 0.114 53.258 53.050 0.156 0.000 0.945 230 N CB -0.014 38.545 38.487 0.121 0.000 1.196 230 N HN 0.492 nan 8.380 nan 0.000 0.499 231 N N 2.699 121.457 118.700 0.096 0.000 2.346 231 N HA 0.028 4.767 4.740 -0.002 0.000 0.225 231 N C -0.402 175.124 175.510 0.026 0.000 1.144 231 N CA -0.019 53.061 53.050 0.050 0.000 0.837 231 N CB 0.619 39.137 38.487 0.053 0.000 1.069 231 N HN 0.266 nan 8.380 nan 0.000 0.487 232 V N 1.901 121.833 119.914 0.029 0.000 2.397 232 V HA 0.037 4.155 4.120 -0.002 0.000 0.262 232 V C 0.688 176.784 176.094 0.004 0.000 1.047 232 V CA 0.023 62.331 62.300 0.013 0.000 1.003 232 V CB 0.072 31.902 31.823 0.013 0.000 1.037 232 V HN -0.002 nan 8.190 nan 0.000 0.480 233 K N 6.387 126.785 120.400 -0.003 0.000 2.156 233 K HA 0.504 4.823 4.320 -0.002 0.000 0.271 233 K C -1.988 174.604 176.600 -0.013 0.000 0.995 233 K CA -1.359 54.924 56.287 -0.006 0.000 0.890 233 K CB 1.330 33.826 32.500 -0.008 0.000 1.073 233 K HN 0.531 nan 8.250 nan 0.000 0.454 234 P HA 0.099 nan 4.420 nan 0.000 0.277 234 P C -0.920 176.374 177.300 -0.009 0.000 1.240 234 P CA -0.513 62.583 63.100 -0.005 0.000 0.798 234 P CB 1.109 32.801 31.700 -0.014 0.000 0.979 235 S N 0.520 116.229 115.700 0.016 0.000 2.513 235 S HA 0.497 4.966 4.470 -0.002 0.000 0.299 235 S C -2.135 172.495 174.600 0.049 0.000 1.087 235 S CA -1.264 56.948 58.200 0.020 0.000 1.012 235 S CB 1.837 65.056 63.200 0.031 0.000 1.044 235 S HN 0.129 nan 8.310 nan 0.000 0.485 236 P HA 0.097 nan 4.420 nan 0.000 0.222 236 P C 0.847 178.237 177.300 0.149 0.000 1.147 236 P CA 0.561 63.684 63.100 0.039 0.000 0.790 236 P CB -0.149 31.384 31.700 -0.279 0.000 0.780 237 c N -0.862 117.826 118.600 0.146 0.000 2.468 237 c HA 0.037 4.606 4.570 -0.002 0.000 0.277 237 c C 2.424 176.580 174.090 0.110 0.000 1.400 237 c CA 0.450 56.870 56.329 0.152 0.000 1.770 237 c CB -1.309 41.266 42.510 0.107 0.000 1.905 237 c HN 0.335 nan 8.230 nan 0.000 0.519 238 E N 0.024 120.280 120.200 0.095 0.000 2.170 238 E HA -0.101 4.248 4.350 -0.002 0.000 0.191 238 E C 1.711 178.361 176.600 0.083 0.000 0.981 238 E CA 0.713 57.149 56.400 0.060 0.000 0.830 238 E CB -0.182 29.550 29.700 0.053 0.000 0.775 238 E HN 0.689 nan 8.360 nan 0.000 0.470 239 F N 1.842 121.802 119.950 0.016 0.000 2.171 239 F HA -0.174 4.352 4.527 -0.002 0.000 0.300 239 F C 1.993 177.807 175.800 0.022 0.000 1.090 239 F CA 1.339 59.364 58.000 0.041 0.000 1.293 239 F CB -0.018 39.051 39.000 0.116 0.000 1.013 239 F HN 0.000 nan 8.300 nan 0.000 0.486 240 I N -1.650 118.948 120.570 0.047 0.000 2.761 240 I HA -0.014 4.155 4.170 -0.002 0.000 0.261 240 I C 0.210 176.269 176.117 -0.098 0.000 1.198 240 I CA 0.957 62.239 61.300 -0.029 0.000 1.482 240 I CB -0.553 37.450 38.000 0.003 0.000 1.100 240 I HN 0.133 nan 8.210 nan 0.000 0.445 241 N N 0.654 119.255 118.700 -0.165 0.000 2.621 241 N HA 0.094 4.833 4.740 -0.002 0.000 0.271 241 N C 0.694 175.995 175.510 -0.348 0.000 1.181 241 N CA 0.505 53.338 53.050 -0.361 0.000 0.805 241 N CB 1.126 39.157 38.487 -0.761 0.000 1.351 241 N HN 0.273 nan 8.380 nan 0.000 0.539 242 T N -1.024 113.350 114.554 -0.300 0.000 2.867 242 T HA -0.091 4.258 4.350 -0.002 0.000 0.268 242 T C 1.482 175.995 174.700 -0.312 0.000 1.057 242 T CA 1.566 63.534 62.100 -0.220 0.000 1.136 242 T CB -0.226 68.538 68.868 -0.174 0.000 0.874 242 T HN 0.288 nan 8.240 nan 0.000 0.466 243 T N 1.921 116.225 114.554 -0.415 0.000 2.867 243 T HA 0.206 4.555 4.350 -0.002 0.000 0.268 243 T C 2.407 176.618 174.700 -0.815 0.000 1.057 243 T CA 0.996 62.775 62.100 -0.536 0.000 1.136 243 T CB -0.623 68.018 68.868 -0.378 0.000 0.874 243 T HN 0.605 nan 8.240 nan 0.000 0.466 244 A N 0.925 123.347 122.820 -0.663 0.000 2.014 244 A HA -0.073 4.246 4.320 -0.002 0.000 0.218 244 A C 0.624 177.972 177.584 -0.394 0.000 1.163 244 A CA 0.739 52.467 52.037 -0.515 0.000 0.652 244 A CB -0.560 18.133 19.000 -0.510 0.000 0.808 244 A HN 0.678 nan 8.150 nan 0.000 0.449 245 H N -1.807 117.167 119.070 -0.159 0.000 2.677 245 H HA -0.119 4.436 4.556 -0.002 0.000 0.321 245 H C -0.834 174.382 175.328 -0.187 0.000 1.171 245 H CA 0.733 56.694 56.048 -0.145 0.000 1.139 245 H CB -2.582 27.105 29.762 -0.124 0.000 1.515 245 H HN 0.262 nan 8.280 nan 0.000 0.423 246 V N 2.360 122.220 119.914 -0.091 0.000 2.376 246 V HA 0.313 4.431 4.120 -0.002 0.000 0.287 246 V C -1.653 174.350 176.094 -0.152 0.000 1.015 246 V CA -1.275 60.928 62.300 -0.162 0.000 0.834 246 V CB 2.356 34.174 31.823 -0.007 0.000 1.001 246 V HN 0.129 nan 8.190 nan 0.000 0.428 247 P HA 0.341 nan 4.420 nan 0.000 0.282 247 P C -0.249 177.029 177.300 -0.037 0.000 1.287 247 P CA -0.596 62.433 63.100 -0.119 0.000 0.792 247 P CB 0.897 32.514 31.700 -0.137 0.000 1.163 248 c N -0.482 118.131 118.600 0.023 0.000 2.649 248 c HA 0.323 4.891 4.570 -0.002 0.000 0.377 248 c C 0.870 175.002 174.090 0.069 0.000 1.321 248 c CA -0.158 56.169 56.329 -0.005 0.000 2.368 248 c CB -1.341 41.228 42.510 0.099 0.000 2.597 248 c HN 0.352 nan 8.230 nan 0.000 0.678 249 F N 0.988 120.983 119.950 0.074 0.000 2.410 249 F HA 0.290 4.816 4.527 -0.002 0.000 0.334 249 F C 0.719 176.506 175.800 -0.021 0.000 1.134 249 F CA -0.093 57.909 58.000 0.002 0.000 1.227 249 F CB 0.280 39.228 39.000 -0.086 0.000 1.194 249 F HN 0.505 nan 8.300 nan 0.000 0.571 250 Q N 2.367 122.280 119.800 0.188 0.000 2.456 250 Q HA 0.631 4.970 4.340 -0.002 0.000 0.252 250 Q C -1.071 174.933 176.000 0.007 0.000 1.042 250 Q CA -0.447 55.401 55.803 0.075 0.000 0.766 250 Q CB 0.969 29.752 28.738 0.074 0.000 1.196 250 Q HN 0.830 nan 8.270 nan 0.000 0.504 251 A N 1.974 124.776 122.820 -0.030 0.000 2.468 251 A HA 0.756 5.074 4.320 -0.002 0.000 0.277 251 A C 0.994 178.577 177.584 -0.002 0.000 1.203 251 A CA 0.054 52.066 52.037 -0.042 0.000 0.932 251 A CB 0.327 19.264 19.000 -0.105 0.000 1.438 251 A HN 0.765 nan 8.150 nan 0.000 0.468 252 G N -0.862 107.955 108.800 0.028 0.000 2.442 252 G HA2 -0.057 3.902 3.960 -0.002 0.000 0.219 252 G HA3 -0.057 3.902 3.960 -0.002 0.000 0.219 252 G C 0.318 175.254 174.900 0.060 0.000 1.141 252 G CA 1.530 46.660 45.100 0.051 0.000 0.763 252 G HN 0.746 nan 8.290 nan 0.000 0.554 253 D N -1.266 119.172 120.400 0.064 0.000 2.175 253 D HA 0.394 5.033 4.640 -0.002 0.000 0.248 253 D C 1.699 177.958 176.300 -0.068 0.000 1.047 253 D CA 0.163 54.161 54.000 -0.003 0.000 0.883 253 D CB 1.648 42.458 40.800 0.016 0.000 1.180 253 D HN 0.035 nan 8.370 nan 0.000 0.438 254 S N 3.019 118.659 115.700 -0.100 0.000 2.481 254 S HA -0.080 4.389 4.470 -0.002 0.000 0.231 254 S C 1.416 175.950 174.600 -0.110 0.000 0.996 254 S CA 0.467 58.628 58.200 -0.065 0.000 0.942 254 S CB -0.074 63.143 63.200 0.029 0.000 0.768 254 S HN 0.508 nan 8.310 nan 0.000 0.520 255 R N 0.774 121.132 120.500 -0.237 0.000 2.310 255 R HA 0.394 4.733 4.340 -0.002 0.000 0.202 255 R C 2.182 178.420 176.300 -0.103 0.000 0.933 255 R CA 0.472 56.461 56.100 -0.184 0.000 1.054 255 R CB -0.376 29.702 30.300 -0.369 0.000 0.985 255 R HN 0.521 nan 8.270 nan 0.000 0.489 256 A N 0.550 123.265 122.820 -0.174 0.000 2.139 256 A HA -0.137 4.182 4.320 -0.002 0.000 0.221 256 A C 1.542 178.996 177.584 -0.217 0.000 1.159 256 A CA 1.538 53.346 52.037 -0.382 0.000 0.662 256 A CB -0.033 18.481 19.000 -0.809 0.000 0.796 256 A HN 0.167 nan 8.150 nan 0.000 0.463 257 S N -0.883 114.722 115.700 -0.159 0.000 2.601 257 S HA 0.101 4.570 4.470 -0.002 0.000 0.244 257 S C 1.278 175.565 174.600 -0.521 0.000 1.001 257 S CA -0.106 57.983 58.200 -0.185 0.000 0.984 257 S CB 0.251 63.411 63.200 -0.066 0.000 0.842 257 S HN 0.638 nan 8.310 nan 0.000 0.474 258 E N 2.072 121.909 120.200 -0.606 0.000 2.106 258 E HA -0.131 4.218 4.350 -0.002 0.000 0.192 258 E C 0.416 176.729 176.600 -0.478 0.000 0.984 258 E CA 1.119 56.937 56.400 -0.970 0.000 0.806 258 E CB 0.270 29.689 29.700 -0.470 0.000 0.750 258 E HN 0.724 nan 8.360 nan 0.000 0.458 259 Q N -1.415 118.267 119.800 -0.197 0.000 2.456 259 Q HA 0.327 4.666 4.340 -0.002 0.000 0.284 259 Q C 0.712 176.673 176.000 -0.065 0.000 1.061 259 Q CA -0.443 55.350 55.803 -0.017 0.000 0.799 259 Q CB 0.807 29.615 28.738 0.116 0.000 1.445 259 Q HN -0.024 nan 8.270 nan 0.000 0.411 260 I N 0.565 121.091 120.570 -0.073 0.000 2.264 260 I HA -0.228 3.941 4.170 -0.002 0.000 0.248 260 I C 1.062 177.158 176.117 -0.035 0.000 1.111 260 I CA 1.417 62.666 61.300 -0.085 0.000 1.382 260 I CB 0.149 38.065 38.000 -0.141 0.000 1.060 260 I HN 0.773 nan 8.210 nan 0.000 0.418 261 L N -0.462 120.745 121.223 -0.027 0.000 2.240 261 L HA -0.138 4.201 4.340 -0.002 0.000 0.211 261 L C 2.334 179.217 176.870 0.021 0.000 1.106 261 L CA 0.288 55.127 54.840 -0.001 0.000 0.793 261 L CB -0.498 41.558 42.059 -0.005 0.000 0.927 261 L HN 0.310 nan 8.230 nan 0.000 0.446 262 L N 0.640 121.863 121.223 0.000 0.000 2.046 262 L HA -0.140 4.199 4.340 -0.002 0.000 0.208 262 L C 2.612 179.564 176.870 0.138 0.000 1.077 262 L CA 2.055 56.906 54.840 0.018 0.000 0.747 262 L CB -0.670 41.354 42.059 -0.058 0.000 0.896 262 L HN 0.132 nan 8.230 nan 0.000 0.432 263 A N -1.473 121.409 122.820 0.104 0.000 1.930 263 A HA -0.163 4.156 4.320 -0.002 0.000 0.217 263 A C 2.207 179.887 177.584 0.159 0.000 1.175 263 A CA 2.091 54.238 52.037 0.184 0.000 0.627 263 A CB -1.192 17.971 19.000 0.270 0.000 0.815 263 A HN 0.540 nan 8.150 nan 0.000 0.443 264 T N -0.076 114.544 114.554 0.109 0.000 2.595 264 T HA -0.161 4.188 4.350 -0.002 0.000 0.264 264 T C 1.843 176.598 174.700 0.092 0.000 1.058 264 T CA 1.854 64.004 62.100 0.082 0.000 1.166 264 T CB -0.644 68.258 68.868 0.057 0.000 0.863 264 T HN 0.148 nan 8.240 nan 0.000 0.415 265 V N 1.176 121.162 119.914 0.121 0.000 2.594 265 V HA -0.189 3.930 4.120 -0.002 0.000 0.253 265 V C 2.424 178.556 176.094 0.065 0.000 1.069 265 V CA 1.460 63.855 62.300 0.158 0.000 1.082 265 V CB -0.779 31.182 31.823 0.231 0.000 0.680 265 V HN 0.595 nan 8.190 nan 0.000 0.469 266 H N 0.338 119.407 119.070 -0.001 0.000 2.353 266 H HA -0.127 4.428 4.556 -0.002 0.000 0.300 266 H C 2.471 177.728 175.328 -0.118 0.000 1.090 266 H CA 2.133 58.145 56.048 -0.061 0.000 1.327 266 H CB -0.106 29.616 29.762 -0.067 0.000 1.383 266 H HN 0.438 nan 8.280 nan 0.000 0.508 267 T N 1.408 115.953 114.554 -0.015 0.000 2.737 267 T HA -0.084 4.265 4.350 -0.002 0.000 0.265 267 T C 2.471 177.113 174.700 -0.096 0.000 1.038 267 T CA 0.603 62.635 62.100 -0.114 0.000 1.144 267 T CB -0.415 68.387 68.868 -0.109 0.000 0.866 267 T HN 0.170 nan 8.240 nan 0.000 0.434 268 L N 0.569 121.756 121.223 -0.060 0.000 2.021 268 L HA -0.172 4.167 4.340 -0.002 0.000 0.215 268 L C 2.572 179.367 176.870 -0.125 0.000 1.074 268 L CA 1.459 56.240 54.840 -0.098 0.000 0.760 268 L CB -0.666 41.346 42.059 -0.079 0.000 0.889 268 L HN 0.279 nan 8.230 nan 0.000 0.433 269 L N -0.983 120.188 121.223 -0.086 0.000 2.017 269 L HA -0.247 4.091 4.340 -0.002 0.000 0.208 269 L C 2.591 179.390 176.870 -0.118 0.000 1.073 269 L CA 1.030 55.812 54.840 -0.097 0.000 0.745 269 L CB -0.454 41.556 42.059 -0.080 0.000 0.894 269 L HN 0.277 nan 8.230 nan 0.000 0.432 270 L N -0.070 121.076 121.223 -0.128 0.000 2.079 270 L HA -0.214 4.125 4.340 -0.002 0.000 0.210 270 L C 2.770 179.592 176.870 -0.079 0.000 1.081 270 L CA 1.636 56.399 54.840 -0.129 0.000 0.752 270 L CB -0.314 41.651 42.059 -0.157 0.000 0.896 270 L HN 0.092 nan 8.230 nan 0.000 0.433 271 R N -0.907 119.527 120.500 -0.109 0.000 2.115 271 R HA -0.155 4.184 4.340 -0.002 0.000 0.226 271 R C 2.128 178.360 176.300 -0.113 0.000 1.100 271 R CA 1.063 57.098 56.100 -0.109 0.000 0.980 271 R CB -0.232 29.985 30.300 -0.138 0.000 0.875 271 R HN 0.309 nan 8.270 nan 0.000 0.445 272 E N 0.266 120.380 120.200 -0.145 0.000 2.153 272 E HA -0.198 4.151 4.350 -0.002 0.000 0.194 272 E C 1.568 178.091 176.600 -0.128 0.000 0.988 272 E CA 1.470 57.751 56.400 -0.198 0.000 0.811 272 E CB -0.087 29.429 29.700 -0.307 0.000 0.746 272 E HN 0.422 nan 8.360 nan 0.000 0.466 273 H N 0.030 119.027 119.070 -0.121 0.000 2.269 273 H HA -0.039 4.516 4.556 -0.002 0.000 0.299 273 H C 1.754 177.054 175.328 -0.046 0.000 1.058 273 H CA 2.316 58.336 56.048 -0.046 0.000 1.246 273 H CB -0.303 29.473 29.762 0.023 0.000 1.376 273 H HN 0.097 nan 8.280 nan 0.000 0.503 274 N N 0.438 119.211 118.700 0.122 0.000 2.133 274 N HA -0.215 4.524 4.740 -0.002 0.000 0.193 274 N C 2.044 177.510 175.510 -0.074 0.000 1.012 274 N CA 1.432 54.514 53.050 0.054 0.000 0.871 274 N CB -0.459 38.073 38.487 0.075 0.000 1.011 274 N HN 0.418 nan 8.380 nan 0.000 0.435 275 R N 0.644 121.083 120.500 -0.103 0.000 2.081 275 R HA -0.028 4.311 4.340 -0.002 0.000 0.235 275 R C 2.102 178.301 176.300 -0.168 0.000 1.131 275 R CA 0.972 56.995 56.100 -0.128 0.000 0.960 275 R CB -0.226 29.986 30.300 -0.146 0.000 0.856 275 R HN 0.214 nan 8.270 nan 0.000 0.436 276 L N -0.005 121.083 121.223 -0.225 0.000 2.056 276 L HA -0.072 4.267 4.340 -0.002 0.000 0.207 276 L C 2.693 179.416 176.870 -0.245 0.000 1.078 276 L CA 1.144 55.824 54.840 -0.267 0.000 0.749 276 L CB -0.508 41.358 42.059 -0.321 0.000 0.901 276 L HN 0.291 nan 8.230 nan 0.000 0.433 277 A N 0.033 122.690 122.820 -0.271 0.000 1.972 277 A HA -0.184 4.135 4.320 -0.002 0.000 0.219 277 A C 2.396 179.924 177.584 -0.093 0.000 1.169 277 A CA 1.358 53.286 52.037 -0.181 0.000 0.635 277 A CB -0.394 18.490 19.000 -0.192 0.000 0.810 277 A HN 0.320 nan 8.150 nan 0.000 0.446 278 R N -0.848 119.596 120.500 -0.094 0.000 2.073 278 R HA -0.039 4.299 4.340 -0.002 0.000 0.229 278 R C 2.041 178.290 176.300 -0.084 0.000 1.120 278 R CA 1.148 57.208 56.100 -0.067 0.000 0.967 278 R CB -0.180 30.087 30.300 -0.055 0.000 0.862 278 R HN 0.408 nan 8.270 nan 0.000 0.436 279 E N 0.936 121.068 120.200 -0.112 0.000 2.106 279 E HA -0.109 4.240 4.350 -0.002 0.000 0.192 279 E C 2.036 178.554 176.600 -0.136 0.000 0.984 279 E CA 0.929 57.257 56.400 -0.120 0.000 0.806 279 E CB -0.044 29.574 29.700 -0.138 0.000 0.750 279 E HN 0.299 nan 8.360 nan 0.000 0.458 280 L N 0.622 121.754 121.223 -0.152 0.000 2.362 280 L HA -0.131 4.208 4.340 -0.002 0.000 0.219 280 L C 2.480 179.230 176.870 -0.200 0.000 1.134 280 L CA 0.950 55.693 54.840 -0.163 0.000 0.807 280 L CB -0.181 41.831 42.059 -0.078 0.000 0.927 280 L HN 0.031 nan 8.230 nan 0.000 0.447 281 K N 0.082 120.407 120.400 -0.125 0.000 2.166 281 K HA -0.046 4.273 4.320 -0.002 0.000 0.201 281 K C 2.269 178.794 176.600 -0.124 0.000 1.052 281 K CA 0.415 56.634 56.287 -0.114 0.000 0.969 281 K CB 0.153 32.629 32.500 -0.041 0.000 0.761 281 K HN 0.098 nan 8.250 nan 0.000 0.459 282 R N 0.496 120.935 120.500 -0.102 0.000 2.083 282 R HA -0.120 4.218 4.340 -0.002 0.000 0.237 282 R C 2.320 178.560 176.300 -0.100 0.000 1.137 282 R CA 1.655 57.706 56.100 -0.082 0.000 0.951 282 R CB -0.449 29.810 30.300 -0.068 0.000 0.851 282 R HN 0.222 nan 8.270 nan 0.000 0.434 283 L N 0.403 121.545 121.223 -0.134 0.000 2.217 283 L HA -0.078 4.261 4.340 -0.002 0.000 0.211 283 L C 0.323 177.059 176.870 -0.223 0.000 1.107 283 L CA 0.837 55.591 54.840 -0.143 0.000 0.783 283 L CB 0.033 42.017 42.059 -0.124 0.000 0.919 283 L HN 0.186 nan 8.230 nan 0.000 0.442 284 N N -0.847 117.631 118.700 -0.370 0.000 2.791 284 N HA 0.177 4.915 4.740 -0.002 0.000 0.265 284 N C -2.122 173.122 175.510 -0.443 0.000 1.580 284 N CA -0.856 51.827 53.050 -0.611 0.000 0.809 284 N CB 1.275 38.823 38.487 -1.564 0.000 1.178 284 N HN -0.097 nan 8.380 nan 0.000 0.499 285 P HA -0.153 nan 4.420 nan 0.000 0.221 285 P C 1.344 178.679 177.300 0.057 0.000 1.145 285 P CA 1.238 64.329 63.100 -0.016 0.000 0.795 285 P CB 0.060 31.782 31.700 0.037 0.000 0.775 286 H N -3.492 115.595 119.070 0.028 0.000 2.436 286 H HA -0.031 4.524 4.556 -0.002 0.000 0.294 286 H C 0.313 175.800 175.328 0.266 0.000 1.048 286 H CA 0.017 56.144 56.048 0.131 0.000 1.353 286 H CB -1.335 28.512 29.762 0.142 0.000 1.414 286 H HN 0.049 nan 8.280 nan 0.000 0.536 287 W N 4.904 125.977 121.300 -0.378 0.000 2.314 287 W HA 0.017 4.676 4.660 -0.002 0.000 0.339 287 W C 0.895 177.375 176.519 -0.065 0.000 1.293 287 W CA -0.280 56.943 57.345 -0.204 0.000 1.288 287 W CB 0.101 29.428 29.460 -0.222 0.000 1.186 287 W HN 0.369 nan 8.180 nan 0.000 0.566 288 D N 0.656 121.149 120.400 0.154 0.000 2.451 288 D HA 0.219 4.858 4.640 -0.002 0.000 0.259 288 D C 1.378 177.724 176.300 0.077 0.000 1.201 288 D CA -0.010 54.046 54.000 0.093 0.000 1.028 288 D CB 0.375 41.210 40.800 0.058 0.000 1.095 288 D HN 0.428 nan 8.370 nan 0.000 0.539 289 G N -0.370 108.464 108.800 0.057 0.000 2.440 289 G HA2 -0.349 3.610 3.960 -0.002 0.000 0.218 289 G HA3 -0.349 3.610 3.960 -0.002 0.000 0.218 289 G C 1.364 176.297 174.900 0.054 0.000 1.154 289 G CA 1.317 46.451 45.100 0.057 0.000 0.767 289 G HN 0.648 nan 8.290 nan 0.000 0.552 290 E N 0.069 120.278 120.200 0.016 0.000 2.051 290 E HA -0.067 4.282 4.350 -0.002 0.000 0.192 290 E C 2.394 178.966 176.600 -0.046 0.000 0.991 290 E CA 1.071 57.470 56.400 -0.001 0.000 0.799 290 E CB -0.394 29.291 29.700 -0.025 0.000 0.748 290 E HN 0.375 nan 8.360 nan 0.000 0.449 291 M N -0.226 119.309 119.600 -0.108 0.000 2.296 291 M HA -0.076 4.403 4.480 -0.002 0.000 0.265 291 M C 1.820 178.018 176.300 -0.171 0.000 1.064 291 M CA 0.930 56.074 55.300 -0.259 0.000 1.109 291 M CB -0.013 32.330 32.600 -0.429 0.000 1.396 291 M HN 0.215 nan 8.290 nan 0.000 0.430 292 L N -1.246 119.991 121.223 0.024 0.000 1.976 292 L HA -0.259 4.080 4.340 -0.002 0.000 0.209 292 L C 2.487 179.373 176.870 0.027 0.000 1.071 292 L CA 1.647 56.550 54.840 0.104 0.000 0.746 292 L CB -1.270 40.867 42.059 0.130 0.000 0.890 292 L HN 0.252 nan 8.230 nan 0.000 0.432 293 Y N 0.806 121.087 120.300 -0.032 0.000 2.102 293 Y HA -0.350 4.199 4.550 -0.002 0.000 0.280 293 Y C 2.734 178.568 175.900 -0.109 0.000 1.178 293 Y CA 1.847 59.965 58.100 0.029 0.000 1.146 293 Y CB -0.207 38.259 38.460 0.010 0.000 0.968 293 Y HN 0.206 nan 8.280 nan 0.000 0.504 294 Q N -0.015 119.540 119.800 -0.408 0.000 2.096 294 Q HA -0.134 4.205 4.340 -0.002 0.000 0.197 294 Q C 2.168 177.824 176.000 -0.574 0.000 0.964 294 Q CA 1.343 56.691 55.803 -0.758 0.000 0.838 294 Q CB -0.286 27.728 28.738 -1.206 0.000 0.906 294 Q HN 0.584 nan 8.270 nan 0.000 0.444 295 E N 0.936 120.936 120.200 -0.332 0.000 2.077 295 E HA -0.117 4.232 4.350 -0.002 0.000 0.193 295 E C 1.905 178.511 176.600 0.010 0.000 0.989 295 E CA 1.134 57.555 56.400 0.035 0.000 0.800 295 E CB -0.114 29.730 29.700 0.240 0.000 0.746 295 E HN 0.291 nan 8.360 nan 0.000 0.452 296 A N 1.374 124.111 122.820 -0.139 0.000 1.902 296 A HA -0.196 4.123 4.320 -0.002 0.000 0.217 296 A C 2.213 179.729 177.584 -0.113 0.000 1.181 296 A CA 1.656 53.569 52.037 -0.207 0.000 0.623 296 A CB -0.514 18.231 19.000 -0.425 0.000 0.818 296 A HN 0.133 nan 8.150 nan 0.000 0.443 297 R N -0.133 120.219 120.500 -0.246 0.000 2.105 297 R HA -0.155 4.184 4.340 -0.002 0.000 0.239 297 R C 2.108 178.356 176.300 -0.088 0.000 1.135 297 R CA 1.838 57.714 56.100 -0.374 0.000 0.967 297 R CB -0.217 29.493 30.300 -0.982 0.000 0.861 297 R HN 0.515 nan 8.270 nan 0.000 0.442 298 K N 0.173 120.582 120.400 0.016 0.000 2.026 298 K HA -0.116 4.203 4.320 -0.002 0.000 0.208 298 K C 2.129 178.998 176.600 0.449 0.000 1.048 298 K CA 1.725 58.176 56.287 0.274 0.000 0.929 298 K CB -0.162 32.541 32.500 0.339 0.000 0.713 298 K HN 0.227 nan 8.250 nan 0.000 0.439 299 I N 0.987 121.740 120.570 0.304 0.000 2.208 299 I HA -0.289 3.879 4.170 -0.002 0.000 0.245 299 I C 2.367 178.534 176.117 0.083 0.000 1.097 299 I CA 0.747 62.117 61.300 0.117 0.000 1.363 299 I CB -0.257 37.629 38.000 -0.190 0.000 1.051 299 I HN 0.112 nan 8.210 nan 0.000 0.413 300 L N 1.247 122.537 121.223 0.111 0.000 2.056 300 L HA -0.039 4.299 4.340 -0.002 0.000 0.207 300 L C 2.352 179.401 176.870 0.298 0.000 1.078 300 L CA 2.110 57.061 54.840 0.184 0.000 0.749 300 L CB -1.276 40.925 42.059 0.237 0.000 0.901 300 L HN 0.186 nan 8.230 nan 0.000 0.433 301 G N -1.195 107.769 108.800 0.272 0.000 2.422 301 G HA2 -0.219 3.740 3.960 -0.002 0.000 0.218 301 G HA3 -0.219 3.740 3.960 -0.002 0.000 0.218 301 G C 1.575 176.600 174.900 0.208 0.000 1.146 301 G CA 0.689 45.949 45.100 0.267 0.000 0.769 301 G HN 0.598 nan 8.290 nan 0.000 0.547 302 A N 0.188 123.111 122.820 0.172 0.000 2.015 302 A HA 0.140 4.459 4.320 -0.002 0.000 0.219 302 A C 2.057 179.512 177.584 -0.216 0.000 1.163 302 A CA 1.373 53.369 52.037 -0.069 0.000 0.646 302 A CB -0.431 18.439 19.000 -0.216 0.000 0.806 302 A HN 0.424 nan 8.150 nan 0.000 0.448 303 F N 0.686 120.546 119.950 -0.149 0.000 2.060 303 F HA -0.115 4.411 4.527 -0.002 0.000 0.295 303 F C 1.913 177.737 175.800 0.040 0.000 1.120 303 F CA 1.789 59.721 58.000 -0.115 0.000 1.205 303 F CB -0.350 38.619 39.000 -0.053 0.000 0.986 303 F HN 0.148 nan 8.300 nan 0.000 0.470 304 I N 0.373 121.039 120.570 0.161 0.000 2.335 304 I HA -0.341 3.828 4.170 -0.002 0.000 0.251 304 I C 2.388 178.669 176.117 0.273 0.000 1.129 304 I CA 1.491 62.979 61.300 0.313 0.000 1.402 304 I CB -0.591 37.648 38.000 0.397 0.000 1.069 304 I HN 0.383 nan 8.210 nan 0.000 0.424 305 Q N 0.480 120.352 119.800 0.121 0.000 2.046 305 Q HA -0.169 4.170 4.340 -0.002 0.000 0.200 305 Q C 2.392 178.426 176.000 0.057 0.000 0.975 305 Q CA 1.500 57.365 55.803 0.104 0.000 0.836 305 Q CB -0.070 28.519 28.738 -0.248 0.000 0.896 305 Q HN 0.496 nan 8.270 nan 0.000 0.428 306 I N 0.720 121.111 120.570 -0.298 0.000 2.127 306 I HA -0.304 3.864 4.170 -0.002 0.000 0.241 306 I C 2.076 178.139 176.117 -0.090 0.000 1.075 306 I CA 0.936 62.050 61.300 -0.310 0.000 1.334 306 I CB -0.290 37.331 38.000 -0.633 0.000 1.040 306 I HN 0.246 nan 8.210 nan 0.000 0.405 307 I N 0.290 120.724 120.570 -0.226 0.000 2.226 307 I HA -0.235 3.934 4.170 -0.002 0.000 0.245 307 I C 2.579 178.686 176.117 -0.016 0.000 1.100 307 I CA 1.755 62.899 61.300 -0.261 0.000 1.374 307 I CB -1.925 35.671 38.000 -0.674 0.000 1.057 307 I HN 0.255 nan 8.210 nan 0.000 0.413 308 T N 0.858 115.617 114.554 0.342 0.000 2.833 308 T HA -0.120 4.229 4.350 -0.002 0.000 0.269 308 T C 1.635 176.532 174.700 0.328 0.000 1.054 308 T CA 1.426 63.847 62.100 0.535 0.000 1.135 308 T CB -0.249 69.038 68.868 0.699 0.000 0.869 308 T HN 0.126 nan 8.240 nan 0.000 0.466 309 F N 0.059 120.155 119.950 0.243 0.000 2.656 309 F HA 0.379 4.905 4.527 -0.002 0.000 0.291 309 F C 2.368 178.259 175.800 0.152 0.000 1.122 309 F CA -0.097 58.053 58.000 0.250 0.000 1.427 309 F CB 0.071 39.355 39.000 0.473 0.000 1.125 309 F HN -0.093 nan 8.300 nan 0.000 0.583 310 R N -0.093 120.549 120.500 0.237 0.000 2.123 310 R HA 0.009 4.348 4.340 -0.002 0.000 0.209 310 R C 0.936 177.239 176.300 0.005 0.000 1.078 310 R CA 1.179 57.355 56.100 0.127 0.000 1.028 310 R CB 0.114 30.479 30.300 0.109 0.000 0.939 310 R HN 0.065 nan 8.270 nan 0.000 0.463 311 D N -0.965 119.376 120.400 -0.098 0.000 2.379 311 D HA -0.049 4.590 4.640 -0.002 0.000 0.218 311 D C 1.145 177.166 176.300 -0.466 0.000 1.006 311 D CA 0.553 54.388 54.000 -0.274 0.000 0.893 311 D CB -0.047 40.545 40.800 -0.346 0.000 1.019 311 D HN 0.139 nan 8.370 nan 0.000 0.503 312 Y N 1.622 121.610 120.300 -0.519 0.000 2.186 312 Y HA 0.115 4.664 4.550 -0.002 0.000 0.286 312 Y C 2.119 177.934 175.900 -0.141 0.000 1.109 312 Y CA 0.970 58.847 58.100 -0.372 0.000 1.099 312 Y CB -0.590 37.788 38.460 -0.137 0.000 1.030 312 Y HN -0.233 nan 8.280 nan 0.000 0.495 313 L N 0.516 121.532 121.223 -0.346 0.000 2.042 313 L HA -0.172 4.167 4.340 -0.002 0.000 0.210 313 L C -0.617 176.067 176.870 -0.311 0.000 1.076 313 L CA 1.408 55.947 54.840 -0.502 0.000 0.749 313 L CB -1.758 39.954 42.059 -0.578 0.000 0.893 313 L HN 0.236 nan 8.230 nan 0.000 0.432 314 P HA -0.189 nan 4.420 nan 0.000 0.217 314 P C 1.485 178.713 177.300 -0.120 0.000 1.148 314 P CA 1.492 64.526 63.100 -0.111 0.000 0.828 314 P CB -0.116 31.545 31.700 -0.064 0.000 0.783 315 I N -5.845 114.637 120.570 -0.147 0.000 3.883 315 I HA 0.101 4.269 4.170 -0.002 0.000 0.326 315 I C 1.106 177.181 176.117 -0.071 0.000 1.283 315 I CA 0.152 61.377 61.300 -0.126 0.000 1.161 315 I CB -0.059 37.849 38.000 -0.153 0.000 1.012 315 I HN -0.252 nan 8.210 nan 0.000 0.421 316 V N 1.100 120.936 119.914 -0.130 0.000 2.521 316 V HA 0.018 4.137 4.120 -0.002 0.000 0.239 316 V C 2.228 178.236 176.094 -0.144 0.000 1.053 316 V CA 1.155 63.388 62.300 -0.111 0.000 1.073 316 V CB -0.103 31.514 31.823 -0.344 0.000 0.746 316 V HN 0.379 nan 8.190 nan 0.000 0.476 317 L N -0.092 121.038 121.223 -0.155 0.000 2.209 317 L HA 0.360 4.699 4.340 -0.002 0.000 0.207 317 L C 1.847 178.693 176.870 -0.039 0.000 1.094 317 L CA 1.028 55.818 54.840 -0.084 0.000 0.790 317 L CB -0.934 41.098 42.059 -0.045 0.000 0.932 317 L HN 0.533 nan 8.230 nan 0.000 0.447 318 G N 0.384 109.152 108.800 -0.054 0.000 2.565 318 G HA2 -0.409 3.550 3.960 -0.002 0.000 0.295 318 G HA3 -0.409 3.550 3.960 -0.002 0.000 0.295 318 G C 0.995 175.882 174.900 -0.021 0.000 1.165 318 G CA 0.468 45.543 45.100 -0.041 0.000 0.977 318 G HN 0.227 nan 8.290 nan 0.000 0.546 319 S N 1.278 116.969 115.700 -0.015 0.000 2.420 319 S HA -0.072 4.397 4.470 -0.002 0.000 0.237 319 S C 1.555 176.150 174.600 -0.008 0.000 1.023 319 S CA 2.092 60.284 58.200 -0.014 0.000 0.991 319 S CB -0.223 62.969 63.200 -0.014 0.000 0.792 319 S HN 0.655 nan 8.310 nan 0.000 0.488 320 E N 0.073 120.288 120.200 0.025 0.000 2.451 320 E HA 0.210 4.559 4.350 -0.002 0.000 0.194 320 E C 1.239 177.916 176.600 0.128 0.000 1.027 320 E CA -0.236 56.205 56.400 0.068 0.000 0.914 320 E CB -0.052 29.757 29.700 0.182 0.000 1.054 320 E HN 0.407 nan 8.360 nan 0.000 0.461 321 M N 0.889 120.527 119.600 0.063 0.000 2.099 321 M HA -0.180 4.299 4.480 -0.002 0.000 0.262 321 M C 2.018 178.361 176.300 0.072 0.000 1.067 321 M CA 1.909 57.249 55.300 0.067 0.000 1.124 321 M CB 0.071 32.684 32.600 0.022 0.000 1.353 321 M HN -0.042 nan 8.290 nan 0.000 0.410 322 Q N -0.439 119.372 119.800 0.018 0.000 2.079 322 Q HA -0.155 4.184 4.340 -0.002 0.000 0.200 322 Q C 2.064 178.020 176.000 -0.074 0.000 0.974 322 Q CA 1.401 57.199 55.803 -0.009 0.000 0.840 322 Q CB -0.124 28.598 28.738 -0.028 0.000 0.898 322 Q HN 0.538 nan 8.270 nan 0.000 0.430 323 K N -0.788 119.504 120.400 -0.180 0.000 2.209 323 K HA -0.167 4.152 4.320 -0.002 0.000 0.204 323 K C 1.272 177.528 176.600 -0.572 0.000 1.048 323 K CA 1.255 57.275 56.287 -0.445 0.000 0.940 323 K CB 0.094 32.205 32.500 -0.649 0.000 0.729 323 K HN 0.327 nan 8.250 nan 0.000 0.451 324 W N -0.390 120.914 121.300 0.006 0.000 3.063 324 W HA 0.284 4.943 4.660 -0.002 0.000 0.246 324 W C 0.404 176.946 176.519 0.038 0.000 1.145 324 W CA -0.532 56.822 57.345 0.015 0.000 1.510 324 W CB 0.692 30.169 29.460 0.028 0.000 0.904 324 W HN -0.232 nan 8.180 nan 0.000 0.679 325 I N 3.147 123.874 120.570 0.261 0.000 2.557 325 I HA 0.209 4.378 4.170 -0.002 0.000 0.277 325 I C -2.036 174.172 176.117 0.152 0.000 1.106 325 I CA -1.899 59.530 61.300 0.216 0.000 1.180 325 I CB 0.183 38.327 38.000 0.240 0.000 1.392 325 I HN -0.435 nan 8.210 nan 0.000 0.506 326 P HA 0.281 nan 4.420 nan 0.000 0.274 326 P C -2.523 174.842 177.300 0.109 0.000 1.260 326 P CA -1.140 62.004 63.100 0.073 0.000 0.793 326 P CB -0.478 31.241 31.700 0.032 0.000 1.048 327 P HA 0.089 nan 4.420 nan 0.000 0.272 327 P C -0.473 176.917 177.300 0.149 0.000 1.230 327 P CA -0.077 63.105 63.100 0.136 0.000 0.788 327 P CB -0.030 31.731 31.700 0.101 0.000 0.949 328 Y N 1.735 122.060 120.300 0.042 0.000 2.717 328 Y HA -0.054 4.495 4.550 -0.002 0.000 0.330 328 Y C 1.392 177.288 175.900 -0.006 0.000 1.217 328 Y CA 0.957 59.059 58.100 0.004 0.000 1.506 328 Y CB 0.348 38.821 38.460 0.020 0.000 1.268 328 Y HN 0.335 nan 8.280 nan 0.000 0.561 329 Q N 3.932 123.413 119.800 -0.531 0.000 2.214 329 Q HA 0.292 4.631 4.340 -0.002 0.000 0.229 329 Q C 0.653 176.313 176.000 -0.568 0.000 0.835 329 Q CA 0.615 56.175 55.803 -0.405 0.000 0.953 329 Q CB 0.935 29.531 28.738 -0.237 0.000 1.131 329 Q HN 1.019 nan 8.270 nan 0.000 0.501 330 G N 1.082 109.163 108.800 -1.199 0.000 2.541 330 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.686 330 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.686 330 G C -1.316 173.373 174.900 -0.352 0.000 1.286 330 G CA -0.808 43.854 45.100 -0.730 0.000 0.894 330 G HN 0.124 nan 8.290 nan 0.000 0.575 331 Y N 1.254 121.457 120.300 -0.162 0.000 2.632 331 Y HA 0.420 4.969 4.550 -0.002 0.000 0.329 331 Y C 0.742 176.598 175.900 -0.075 0.000 1.174 331 Y CA 0.206 58.272 58.100 -0.057 0.000 1.469 331 Y CB 0.491 38.944 38.460 -0.012 0.000 1.242 331 Y HN 0.558 nan 8.280 nan 0.000 0.540 332 N N 5.579 123.988 118.700 -0.484 0.000 2.707 332 N HA 0.085 4.824 4.740 -0.002 0.000 0.235 332 N C 0.689 175.775 175.510 -0.707 0.000 1.028 332 N CA -0.461 52.312 53.050 -0.462 0.000 0.906 332 N CB 0.253 38.597 38.487 -0.237 0.000 1.131 332 N HN 0.718 nan 8.380 nan 0.000 0.509 333 N N 1.024 119.218 118.700 -0.842 0.000 2.453 333 N HA -0.139 4.600 4.740 -0.002 0.000 0.183 333 N C 0.366 175.744 175.510 -0.221 0.000 1.041 333 N CA 0.787 53.457 53.050 -0.634 0.000 0.900 333 N CB 0.000 38.304 38.487 -0.305 0.000 0.961 333 N HN 0.369 nan 8.380 nan 0.000 0.443 334 S N -0.645 114.946 115.700 -0.181 0.000 2.622 334 S HA 0.293 4.762 4.470 -0.002 0.000 0.236 334 S C 0.160 174.727 174.600 -0.054 0.000 0.956 334 S CA -0.741 57.411 58.200 -0.080 0.000 0.971 334 S CB -0.167 62.991 63.200 -0.069 0.000 0.782 334 S HN 0.026 nan 8.310 nan 0.000 0.468 335 V N 2.253 122.130 119.914 -0.062 0.000 2.398 335 V HA 0.344 4.463 4.120 -0.002 0.000 0.286 335 V C -0.275 175.851 176.094 0.053 0.000 1.026 335 V CA -0.897 61.396 62.300 -0.012 0.000 0.868 335 V CB 1.545 33.351 31.823 -0.030 0.000 0.982 335 V HN 0.330 nan 8.190 nan 0.000 0.443 336 D N 7.565 128.009 120.400 0.074 0.000 2.346 336 D HA 0.169 4.808 4.640 -0.002 0.000 0.260 336 D C -1.612 174.760 176.300 0.120 0.000 1.252 336 D CA -1.586 52.482 54.000 0.112 0.000 0.895 336 D CB 1.802 42.685 40.800 0.139 0.000 1.097 336 D HN 0.289 nan 8.370 nan 0.000 0.489 337 P HA 0.104 nan 4.420 nan 0.000 0.261 337 P C 0.059 177.314 177.300 -0.075 0.000 1.268 337 P CA -0.083 63.062 63.100 0.076 0.000 0.833 337 P CB 0.410 32.245 31.700 0.225 0.000 1.231 338 R N 0.525 121.007 120.500 -0.031 0.000 2.543 338 R HA 0.236 4.575 4.340 -0.002 0.000 0.277 338 R C 0.533 176.789 176.300 -0.073 0.000 1.074 338 R CA -0.708 55.349 56.100 -0.073 0.000 1.076 338 R CB 0.425 30.723 30.300 -0.003 0.000 0.993 338 R HN 0.001 nan 8.270 nan 0.000 0.459 339 I N 2.419 122.911 120.570 -0.130 0.000 2.618 339 I HA -0.056 4.112 4.170 -0.002 0.000 0.284 339 I C 1.063 177.073 176.117 -0.178 0.000 1.146 339 I CA 0.392 61.585 61.300 -0.177 0.000 1.425 339 I CB 0.421 38.374 38.000 -0.079 0.000 1.383 339 I HN 0.680 nan 8.210 nan 0.000 0.562 340 S N 5.116 120.593 115.700 -0.372 0.000 2.601 340 S HA 0.167 4.636 4.470 -0.002 0.000 0.271 340 S C 1.089 175.503 174.600 -0.311 0.000 1.305 340 S CA -0.648 57.202 58.200 -0.584 0.000 1.022 340 S CB 1.426 63.616 63.200 -1.683 0.000 0.940 340 S HN 0.620 nan 8.310 nan 0.000 0.525 341 N N 1.091 119.677 118.700 -0.190 0.000 2.061 341 N HA -0.147 4.592 4.740 -0.002 0.000 0.193 341 N C 1.670 177.187 175.510 0.010 0.000 1.030 341 N CA 1.635 54.690 53.050 0.008 0.000 0.856 341 N CB -0.858 37.716 38.487 0.145 0.000 1.023 341 N HN 0.565 nan 8.380 nan 0.000 0.424 342 V N 0.546 120.380 119.914 -0.132 0.000 2.594 342 V HA -0.187 3.932 4.120 -0.002 0.000 0.253 342 V C 2.031 178.022 176.094 -0.173 0.000 1.069 342 V CA 1.427 63.599 62.300 -0.214 0.000 1.082 342 V CB -0.742 30.595 31.823 -0.809 0.000 0.680 342 V HN 0.297 nan 8.190 nan 0.000 0.469 343 F N 1.864 121.588 119.950 -0.377 0.000 2.216 343 F HA -0.156 4.370 4.527 -0.002 0.000 0.300 343 F C 2.535 178.262 175.800 -0.123 0.000 1.085 343 F CA 2.074 59.925 58.000 -0.249 0.000 1.326 343 F CB -0.621 38.197 39.000 -0.304 0.000 1.027 343 F HN 0.371 nan 8.300 nan 0.000 0.497 344 T N -2.743 111.672 114.554 -0.232 0.000 3.163 344 T HA -0.086 4.263 4.350 -0.002 0.000 0.260 344 T C 1.309 175.566 174.700 -0.739 0.000 1.156 344 T CA 1.054 62.871 62.100 -0.472 0.000 1.072 344 T CB -0.926 67.631 68.868 -0.518 0.000 0.937 344 T HN 0.314 nan 8.240 nan 0.000 0.528 345 F N -0.044 119.820 119.950 -0.144 0.000 2.747 345 F HA 0.586 5.111 4.527 -0.002 0.000 0.305 345 F C 2.573 178.411 175.800 0.064 0.000 1.065 345 F CA -0.202 57.776 58.000 -0.035 0.000 1.230 345 F CB -0.266 38.710 39.000 -0.040 0.000 1.027 345 F HN 0.178 nan 8.300 nan 0.000 0.607 346 A N 0.309 123.176 122.820 0.078 0.000 1.898 346 A HA -0.190 4.129 4.320 -0.002 0.000 0.216 346 A C 1.935 179.640 177.584 0.202 0.000 1.181 346 A CA 1.373 53.449 52.037 0.064 0.000 0.620 346 A CB -1.058 17.912 19.000 -0.050 0.000 0.819 346 A HN 0.327 nan 8.150 nan 0.000 0.442 347 F N 0.926 120.748 119.950 -0.213 0.000 2.365 347 F HA -0.011 4.515 4.527 -0.002 0.000 0.300 347 F C 2.104 177.732 175.800 -0.286 0.000 1.090 347 F CA 0.589 58.472 58.000 -0.194 0.000 1.408 347 F CB -0.368 38.255 39.000 -0.627 0.000 1.060 347 F HN 0.199 nan 8.300 nan 0.000 0.534 348 R N -0.039 120.476 120.500 0.025 0.000 2.377 348 R HA -0.177 4.162 4.340 -0.002 0.000 0.207 348 R C 2.032 178.387 176.300 0.091 0.000 1.075 348 R CA 0.947 56.948 56.100 -0.166 0.000 1.035 348 R CB -1.061 29.256 30.300 0.028 0.000 0.857 348 R HN 0.464 nan 8.270 nan 0.000 0.475 349 F N -0.596 119.459 119.950 0.175 0.000 2.236 349 F HA -0.050 4.476 4.527 -0.002 0.000 0.302 349 F C 1.989 177.864 175.800 0.125 0.000 1.073 349 F CA 1.036 59.108 58.000 0.119 0.000 1.336 349 F CB -0.985 38.061 39.000 0.077 0.000 1.040 349 F HN -0.120 nan 8.300 nan 0.000 0.507 350 G N -0.141 108.198 108.800 -0.768 0.000 2.450 350 G HA2 -0.280 3.679 3.960 -0.002 0.000 0.220 350 G HA3 -0.280 3.679 3.960 -0.002 0.000 0.220 350 G C 1.218 176.075 174.900 -0.072 0.000 1.130 350 G CA 1.075 45.848 45.100 -0.545 0.000 0.760 350 G HN 0.643 nan 8.290 nan 0.000 0.557 351 H N -0.251 118.859 119.070 0.065 0.000 2.492 351 H HA 0.023 4.578 4.556 -0.002 0.000 0.296 351 H C 2.157 177.617 175.328 0.220 0.000 1.095 351 H CA 0.848 56.998 56.048 0.170 0.000 1.281 351 H CB -0.026 29.910 29.762 0.289 0.000 1.374 351 H HN 0.366 nan 8.280 nan 0.000 0.545 352 M N -0.017 119.778 119.600 0.325 0.000 2.431 352 M HA 0.037 4.516 4.480 -0.002 0.000 0.237 352 M C 0.483 176.922 176.300 0.231 0.000 1.130 352 M CA 0.665 56.126 55.300 0.268 0.000 1.002 352 M CB 0.554 33.280 32.600 0.210 0.000 1.524 352 M HN 0.260 nan 8.290 nan 0.000 0.482 353 E N 0.292 120.621 120.200 0.215 0.000 2.526 353 E HA 0.131 4.480 4.350 -0.002 0.000 0.208 353 E C -0.194 176.517 176.600 0.184 0.000 0.997 353 E CA -0.143 56.383 56.400 0.210 0.000 0.961 353 E CB 1.032 30.860 29.700 0.213 0.000 1.030 353 E HN 0.169 nan 8.360 nan 0.000 0.483 354 V N 4.520 124.546 119.914 0.186 0.000 2.427 354 V HA 0.148 4.267 4.120 -0.002 0.000 0.268 354 V C -1.928 174.273 176.094 0.177 0.000 1.046 354 V CA -1.439 60.963 62.300 0.170 0.000 0.970 354 V CB 0.090 32.024 31.823 0.186 0.000 1.001 354 V HN 0.037 nan 8.190 nan 0.000 0.476 355 P HA 0.218 nan 4.420 nan 0.000 0.278 355 P C 0.799 178.170 177.300 0.119 0.000 1.258 355 P CA -0.501 62.685 63.100 0.143 0.000 0.811 355 P CB 1.278 33.050 31.700 0.121 0.000 1.063 356 S N -0.395 115.374 115.700 0.115 0.000 2.447 356 S HA -0.010 4.459 4.470 -0.002 0.000 0.233 356 S C 0.824 175.448 174.600 0.039 0.000 1.006 356 S CA 0.937 59.188 58.200 0.085 0.000 0.957 356 S CB -1.178 62.071 63.200 0.083 0.000 0.773 356 S HN 0.739 nan 8.310 nan 0.000 0.507 357 T N -1.501 113.072 114.554 0.032 0.000 2.906 357 T HA 0.733 5.082 4.350 -0.002 0.000 0.295 357 T C -1.029 173.667 174.700 -0.007 0.000 1.075 357 T CA -0.840 61.257 62.100 -0.005 0.000 1.005 357 T CB 1.891 70.760 68.868 0.002 0.000 1.136 357 T HN -0.011 nan 8.240 nan 0.000 0.498 358 V N 1.876 121.766 119.914 -0.039 0.000 2.531 358 V HA 0.595 4.714 4.120 -0.002 0.000 0.301 358 V C -0.008 176.063 176.094 -0.038 0.000 1.034 358 V CA -0.636 61.642 62.300 -0.037 0.000 0.865 358 V CB 1.812 33.595 31.823 -0.067 0.000 0.995 358 V HN 1.136 nan 8.190 nan 0.000 0.424 359 S N 4.712 120.401 115.700 -0.019 0.000 2.713 359 S HA 0.734 5.202 4.470 -0.002 0.000 0.283 359 S C -0.396 174.182 174.600 -0.038 0.000 1.161 359 S CA -0.896 57.295 58.200 -0.015 0.000 0.999 359 S CB 1.226 64.430 63.200 0.007 0.000 1.039 359 S HN 0.690 nan 8.310 nan 0.000 0.548 360 R N 0.723 121.208 120.500 -0.025 0.000 2.564 360 R HA 0.567 4.906 4.340 -0.002 0.000 0.284 360 R C -1.654 174.630 176.300 -0.026 0.000 1.031 360 R CA -0.520 55.536 56.100 -0.073 0.000 0.904 360 R CB 1.142 31.394 30.300 -0.080 0.000 1.199 360 R HN 0.429 nan 8.270 nan 0.000 0.443 361 L N 2.093 123.226 121.223 -0.150 0.000 2.381 361 L HA 0.392 4.730 4.340 -0.002 0.000 0.268 361 L C 0.123 176.880 176.870 -0.188 0.000 0.997 361 L CA -1.161 53.592 54.840 -0.146 0.000 0.818 361 L CB 1.814 43.697 42.059 -0.293 0.000 1.310 361 L HN 0.654 nan 8.230 nan 0.000 0.416 362 D N 0.633 121.034 120.400 0.003 0.000 2.356 362 D HA -0.022 4.617 4.640 -0.002 0.000 0.258 362 D C 0.752 176.972 176.300 -0.132 0.000 1.279 362 D CA -0.184 53.861 54.000 0.075 0.000 1.016 362 D CB 0.640 41.550 40.800 0.184 0.000 1.107 362 D HN 0.517 nan 8.370 nan 0.000 0.544 363 E N -0.984 119.189 120.200 -0.046 0.000 2.118 363 E HA -0.175 4.173 4.350 -0.002 0.000 0.195 363 E C 1.217 177.786 176.600 -0.052 0.000 0.992 363 E CA 1.510 57.883 56.400 -0.045 0.000 0.804 363 E CB -0.406 29.304 29.700 0.016 0.000 0.741 363 E HN 0.511 nan 8.360 nan 0.000 0.458 364 N N -0.700 117.952 118.700 -0.080 0.000 2.370 364 N HA 0.046 4.785 4.740 -0.002 0.000 0.198 364 N C -0.767 174.491 175.510 -0.419 0.000 1.156 364 N CA -0.031 52.928 53.050 -0.152 0.000 0.839 364 N CB 0.041 38.517 38.487 -0.018 0.000 0.989 364 N HN 0.152 nan 8.380 nan 0.000 0.468 365 Y N -0.244 119.694 120.300 -0.603 0.000 3.389 365 Y HA -0.287 4.261 4.550 -0.002 0.000 0.213 365 Y C 0.011 175.727 175.900 -0.306 0.000 1.272 365 Y CA 0.198 57.957 58.100 -0.567 0.000 1.444 365 Y CB -1.468 36.383 38.460 -1.014 0.000 1.445 365 Y HN 0.265 nan 8.280 nan 0.000 0.583 366 Q N -0.200 119.537 119.800 -0.105 0.000 2.297 366 Q HA 0.449 4.787 4.340 -0.002 0.000 0.269 366 Q C -2.317 173.685 176.000 0.002 0.000 1.051 366 Q CA -2.268 53.518 55.803 -0.029 0.000 0.869 366 Q CB 1.218 29.950 28.738 -0.011 0.000 1.346 366 Q HN -0.099 nan 8.270 nan 0.000 0.457 367 P HA -0.097 nan 4.420 nan 0.000 0.260 367 P C -0.807 176.551 177.300 0.095 0.000 1.185 367 P CA 0.389 63.521 63.100 0.052 0.000 0.763 367 P CB 0.110 31.827 31.700 0.029 0.000 0.776 368 W N 6.247 127.506 121.300 -0.068 0.000 2.247 368 W HA 0.462 5.121 4.660 -0.002 0.000 0.394 368 W C 0.594 177.088 176.519 -0.042 0.000 0.939 368 W CA 1.113 58.422 57.345 -0.061 0.000 1.548 368 W CB -0.313 29.104 29.460 -0.072 0.000 1.610 368 W HN 0.786 nan 8.180 nan 0.000 0.336 369 G N 5.572 114.226 108.800 -0.244 0.000 2.796 369 G HA2 -0.263 3.695 3.960 -0.002 0.000 0.571 369 G HA3 -0.263 3.695 3.960 -0.002 0.000 0.571 369 G C -1.239 173.592 174.900 -0.114 0.000 1.370 369 G CA -0.503 44.426 45.100 -0.284 0.000 0.856 369 G HN 0.310 nan 8.290 nan 0.000 0.538 370 P HA -0.020 nan 4.420 nan 0.000 0.218 370 P C 0.592 177.877 177.300 -0.024 0.000 1.149 370 P CA 1.581 64.648 63.100 -0.055 0.000 0.817 370 P CB 0.096 31.762 31.700 -0.056 0.000 0.785 371 E N -0.659 119.534 120.200 -0.012 0.000 3.170 371 E HA 0.417 4.766 4.350 -0.002 0.000 0.212 371 E C 0.796 177.423 176.600 0.045 0.000 1.143 371 E CA -0.414 55.993 56.400 0.012 0.000 1.139 371 E CB 0.634 30.345 29.700 0.018 0.000 1.346 371 E HN 0.076 nan 8.360 nan 0.000 0.432 372 A N 1.869 124.717 122.820 0.047 0.000 1.855 372 A HA -0.068 4.251 4.320 -0.002 0.000 0.213 372 A C 1.134 178.741 177.584 0.037 0.000 1.195 372 A CA 0.668 52.755 52.037 0.083 0.000 0.610 372 A CB 0.153 19.199 19.000 0.077 0.000 0.837 372 A HN 0.383 nan 8.150 nan 0.000 0.444 373 E N 0.314 120.522 120.200 0.014 0.000 2.109 373 E HA 0.473 4.822 4.350 -0.002 0.000 0.278 373 E C -1.768 174.815 176.600 -0.029 0.000 0.954 373 E CA -0.514 55.883 56.400 -0.006 0.000 0.779 373 E CB 0.506 30.209 29.700 0.005 0.000 1.093 373 E HN 0.172 nan 8.360 nan 0.000 0.401 374 L N 6.230 127.418 121.223 -0.058 0.000 2.342 374 L HA 0.483 4.822 4.340 -0.002 0.000 0.271 374 L C -2.345 174.448 176.870 -0.128 0.000 1.008 374 L CA -2.419 52.361 54.840 -0.101 0.000 0.818 374 L CB 1.491 43.468 42.059 -0.137 0.000 1.296 374 L HN 0.541 nan 8.230 nan 0.000 0.427 375 P HA 0.086 nan 4.420 nan 0.000 0.268 375 P C 0.707 177.820 177.300 -0.313 0.000 1.205 375 P CA -0.287 62.693 63.100 -0.200 0.000 0.771 375 P CB 0.655 32.206 31.700 -0.248 0.000 0.858 376 L N 4.101 125.193 121.223 -0.218 0.000 2.079 376 L HA -0.226 4.113 4.340 -0.002 0.000 0.210 376 L C 2.473 178.973 176.870 -0.617 0.000 1.081 376 L CA 1.790 56.443 54.840 -0.313 0.000 0.752 376 L CB -1.075 40.888 42.059 -0.160 0.000 0.896 376 L HN 0.536 nan 8.230 nan 0.000 0.433 377 H N -2.778 116.042 119.070 -0.416 0.000 2.387 377 H HA -0.131 4.424 4.556 -0.002 0.000 0.299 377 H C 1.630 176.820 175.328 -0.231 0.000 1.090 377 H CA 1.558 57.354 56.048 -0.419 0.000 1.332 377 H CB -1.275 28.535 29.762 0.080 0.000 1.386 377 H HN 0.321 nan 8.280 nan 0.000 0.516 378 T N 1.522 115.707 114.554 -0.615 0.000 2.802 378 T HA -0.099 4.250 4.350 -0.002 0.000 0.269 378 T C 1.738 176.314 174.700 -0.208 0.000 1.062 378 T CA 1.248 63.151 62.100 -0.330 0.000 1.133 378 T CB -0.115 68.530 68.868 -0.372 0.000 0.852 378 T HN 0.155 nan 8.240 nan 0.000 0.485 379 L N -0.534 120.483 121.223 -0.343 0.000 2.616 379 L HA 0.366 4.705 4.340 -0.002 0.000 0.229 379 L C -0.173 176.615 176.870 -0.137 0.000 1.110 379 L CA -0.060 54.616 54.840 -0.274 0.000 0.884 379 L CB -0.447 41.436 42.059 -0.293 0.000 1.115 379 L HN 0.131 nan 8.230 nan 0.000 0.481 380 F N 0.143 120.132 119.950 0.065 0.000 2.533 380 F HA 0.165 4.691 4.527 -0.002 0.000 0.378 380 F C 0.795 176.699 175.800 0.173 0.000 1.070 380 F CA -0.701 57.359 58.000 0.100 0.000 1.172 380 F CB -0.951 38.233 39.000 0.307 0.000 1.085 380 F HN -0.023 nan 8.300 nan 0.000 0.552 381 F N 0.325 120.384 119.950 0.182 0.000 3.057 381 F HA -0.315 4.211 4.527 -0.002 0.000 0.287 381 F C 0.630 176.423 175.800 -0.012 0.000 0.834 381 F CA 0.192 58.231 58.000 0.065 0.000 1.147 381 F CB -1.441 37.625 39.000 0.110 0.000 1.245 381 F HN 0.500 nan 8.300 nan 0.000 0.509 382 N N 1.034 119.755 118.700 0.034 0.000 2.558 382 N HA 0.210 4.949 4.740 -0.002 0.000 0.233 382 N C 0.968 176.359 175.510 -0.198 0.000 1.038 382 N CA 0.702 53.707 53.050 -0.075 0.000 0.934 382 N CB 0.910 39.270 38.487 -0.211 0.000 1.175 382 N HN 0.284 nan 8.380 nan 0.000 0.512 383 T N -0.195 114.269 114.554 -0.151 0.000 3.037 383 T HA 0.006 4.355 4.350 -0.002 0.000 0.251 383 T C 1.790 176.377 174.700 -0.188 0.000 1.079 383 T CA -0.246 61.676 62.100 -0.297 0.000 1.067 383 T CB -0.263 68.331 68.868 -0.457 0.000 0.948 383 T HN 0.651 nan 8.240 nan 0.000 0.496 384 W N 2.449 123.662 121.300 -0.144 0.000 2.425 384 W HA 0.131 4.790 4.660 -0.002 0.000 0.277 384 W C 1.294 177.771 176.519 -0.069 0.000 1.231 384 W CA -0.013 57.273 57.345 -0.099 0.000 1.248 384 W CB -0.662 28.744 29.460 -0.090 0.000 1.117 384 W HN 0.169 nan 8.180 nan 0.000 0.568 385 R N 0.611 120.652 120.500 -0.764 0.000 2.323 385 R HA 0.088 4.427 4.340 -0.002 0.000 0.198 385 R C 1.900 178.013 176.300 -0.312 0.000 0.988 385 R CA 0.658 56.351 56.100 -0.678 0.000 1.041 385 R CB -0.032 29.714 30.300 -0.924 0.000 0.926 385 R HN 0.324 nan 8.270 nan 0.000 0.476 386 I N -0.366 120.058 120.570 -0.243 0.000 2.499 386 I HA -0.118 4.051 4.170 -0.002 0.000 0.243 386 I C 1.954 177.991 176.117 -0.133 0.000 1.085 386 I CA 0.703 61.899 61.300 -0.174 0.000 1.422 386 I CB -0.023 37.870 38.000 -0.178 0.000 1.165 386 I HN -0.016 nan 8.210 nan 0.000 0.440 387 I N 0.713 121.179 120.570 -0.174 0.000 2.252 387 I HA -0.222 3.947 4.170 -0.002 0.000 0.245 387 I C 1.828 178.026 176.117 0.136 0.000 1.102 387 I CA 1.546 62.809 61.300 -0.062 0.000 1.385 387 I CB -0.072 37.931 38.000 0.004 0.000 1.064 387 I HN 0.092 nan 8.210 nan 0.000 0.414 388 K N -0.433 120.057 120.400 0.150 0.000 2.399 388 K HA 0.082 4.401 4.320 -0.002 0.000 0.204 388 K C -0.219 176.513 176.600 0.221 0.000 1.023 388 K CA 0.227 56.642 56.287 0.213 0.000 1.127 388 K CB 0.406 33.069 32.500 0.272 0.000 0.856 388 K HN 0.056 nan 8.250 nan 0.000 0.514 389 D N -0.550 119.944 120.400 0.156 0.000 2.865 389 D HA 0.158 4.797 4.640 -0.002 0.000 0.347 389 D C 0.412 176.794 176.300 0.136 0.000 1.498 389 D CA 0.383 54.500 54.000 0.196 0.000 0.787 389 D CB 0.692 41.542 40.800 0.083 0.000 1.190 389 D HN 0.237 nan 8.370 nan 0.000 0.445 390 G N -0.680 108.184 108.800 0.106 0.000 2.229 390 G HA2 0.202 4.161 3.960 -0.002 0.000 0.189 390 G HA3 0.202 4.161 3.960 -0.002 0.000 0.189 390 G C 0.957 175.790 174.900 -0.111 0.000 1.000 390 G CA 0.173 45.209 45.100 -0.108 0.000 0.663 390 G HN 1.138 nan 8.290 nan 0.000 0.493 391 G N -0.279 108.515 108.800 -0.010 0.000 2.632 391 G HA2 0.043 4.002 3.960 -0.002 0.000 0.224 391 G HA3 0.043 4.002 3.960 -0.002 0.000 0.224 391 G C 0.980 175.889 174.900 0.015 0.000 1.341 391 G CA 0.767 45.924 45.100 0.095 0.000 0.880 391 G HN 1.719 nan 8.290 nan 0.000 0.566 392 I N -2.562 118.050 120.570 0.070 0.000 3.228 392 I HA 0.258 4.427 4.170 -0.002 0.000 0.279 392 I C 1.747 177.830 176.117 -0.056 0.000 1.221 392 I CA 1.649 62.956 61.300 0.012 0.000 1.458 392 I CB -0.194 37.842 38.000 0.060 0.000 1.105 392 I HN 0.356 nan 8.210 nan 0.000 0.445 393 D N 3.246 123.615 120.400 -0.052 0.000 2.160 393 D HA -0.179 4.460 4.640 -0.002 0.000 0.189 393 D C -0.423 175.757 176.300 -0.200 0.000 1.003 393 D CA 2.512 56.460 54.000 -0.086 0.000 0.846 393 D CB -1.748 39.031 40.800 -0.034 0.000 0.949 393 D HN 0.354 nan 8.370 nan 0.000 0.446 394 P HA -0.142 nan 4.420 nan 0.000 0.216 394 P C 1.759 178.890 177.300 -0.282 0.000 1.153 394 P CA 1.166 64.001 63.100 -0.442 0.000 0.858 394 P CB -0.062 31.181 31.700 -0.762 0.000 0.789 395 L N -1.046 120.050 121.223 -0.211 0.000 2.093 395 L HA -0.104 4.235 4.340 -0.002 0.000 0.208 395 L C 2.750 179.582 176.870 -0.064 0.000 1.085 395 L CA 1.002 55.768 54.840 -0.124 0.000 0.755 395 L CB -1.023 40.977 42.059 -0.098 0.000 0.904 395 L HN -0.187 nan 8.230 nan 0.000 0.435 396 V N -0.167 119.718 119.914 -0.049 0.000 2.343 396 V HA -0.271 3.848 4.120 -0.002 0.000 0.247 396 V C 2.607 178.722 176.094 0.035 0.000 1.051 396 V CA 1.712 64.024 62.300 0.021 0.000 1.036 396 V CB -0.628 31.213 31.823 0.031 0.000 0.654 396 V HN 0.408 nan 8.190 nan 0.000 0.451 397 R N 0.130 120.584 120.500 -0.077 0.000 2.096 397 R HA -0.096 4.242 4.340 -0.002 0.000 0.235 397 R C 2.494 178.780 176.300 -0.023 0.000 1.127 397 R CA 1.358 57.360 56.100 -0.163 0.000 0.968 397 R CB -0.841 29.032 30.300 -0.712 0.000 0.861 397 R HN 0.601 nan 8.270 nan 0.000 0.440 398 G N 1.521 110.285 108.800 -0.059 0.000 2.491 398 G HA2 -0.262 3.696 3.960 -0.002 0.000 0.218 398 G HA3 -0.262 3.696 3.960 -0.002 0.000 0.218 398 G C 1.437 176.380 174.900 0.070 0.000 1.180 398 G CA 0.638 45.738 45.100 0.001 0.000 0.774 398 G HN 0.142 nan 8.290 nan 0.000 0.562 399 L N -0.131 121.131 121.223 0.065 0.000 2.043 399 L HA -0.083 4.255 4.340 -0.002 0.000 0.212 399 L C 2.943 179.876 176.870 0.105 0.000 1.075 399 L CA 0.765 55.646 54.840 0.068 0.000 0.752 399 L CB -0.379 41.710 42.059 0.051 0.000 0.891 399 L HN 0.212 nan 8.230 nan 0.000 0.432 400 L N -1.044 120.299 121.223 0.200 0.000 2.109 400 L HA -0.101 4.237 4.340 -0.002 0.000 0.207 400 L C 2.652 179.757 176.870 0.391 0.000 1.086 400 L CA 1.044 56.054 54.840 0.283 0.000 0.760 400 L CB -0.510 41.833 42.059 0.473 0.000 0.910 400 L HN 0.222 nan 8.230 nan 0.000 0.437 401 A N -1.300 121.781 122.820 0.435 0.000 1.942 401 A HA 0.077 4.396 4.320 -0.002 0.000 0.209 401 A C 1.186 178.915 177.584 0.243 0.000 1.214 401 A CA 0.271 52.557 52.037 0.415 0.000 0.686 401 A CB 0.139 19.390 19.000 0.418 0.000 0.871 401 A HN -0.005 nan 8.150 nan 0.000 0.460 402 K N 1.202 121.707 120.400 0.176 0.000 2.180 402 K HA 0.213 4.532 4.320 -0.002 0.000 0.251 402 K C -0.737 175.937 176.600 0.124 0.000 1.014 402 K CA -0.280 56.084 56.287 0.127 0.000 0.913 402 K CB 0.138 32.693 32.500 0.092 0.000 1.008 402 K HN 0.228 nan 8.250 nan 0.000 0.490 403 N N -0.125 118.642 118.700 0.112 0.000 2.443 403 N HA 0.107 4.846 4.740 -0.002 0.000 0.295 403 N C -0.344 175.243 175.510 0.127 0.000 1.076 403 N CA -0.099 53.021 53.050 0.116 0.000 0.919 403 N CB 1.603 40.152 38.487 0.103 0.000 1.176 403 N HN 0.390 nan 8.380 nan 0.000 0.487 404 S N 0.558 116.352 115.700 0.157 0.000 2.617 404 S HA 0.124 4.592 4.470 -0.002 0.000 0.259 404 S C 0.026 174.730 174.600 0.174 0.000 1.301 404 S CA -0.344 57.973 58.200 0.194 0.000 0.984 404 S CB 0.498 63.880 63.200 0.305 0.000 0.954 404 S HN 0.456 nan 8.310 nan 0.000 0.572 405 K N 1.830 122.344 120.400 0.189 0.000 2.211 405 K HA 0.368 4.687 4.320 -0.002 0.000 0.275 405 K C -0.785 175.918 176.600 0.172 0.000 1.024 405 K CA -0.677 55.710 56.287 0.168 0.000 0.887 405 K CB 0.735 33.342 32.500 0.178 0.000 1.084 405 K HN 0.484 nan 8.250 nan 0.000 0.463 406 L N 4.786 126.084 121.223 0.124 0.000 2.371 406 L HA 0.263 4.601 4.340 -0.002 0.000 0.272 406 L C -0.148 176.771 176.870 0.083 0.000 1.124 406 L CA -0.173 54.730 54.840 0.106 0.000 0.816 406 L CB 0.819 42.916 42.059 0.062 0.000 1.129 406 L HN 0.775 nan 8.230 nan 0.000 0.448 407 M N 5.290 124.947 119.600 0.095 0.000 2.238 407 M HA 0.217 4.696 4.480 -0.002 0.000 0.350 407 M C -0.885 175.421 176.300 0.009 0.000 1.321 407 M CA 0.827 56.166 55.300 0.064 0.000 1.097 407 M CB -0.511 32.137 32.600 0.081 0.000 1.713 407 M HN 0.605 nan 8.290 nan 0.000 0.455 408 N N 3.803 122.485 118.700 -0.030 0.000 2.296 408 N HA 0.227 4.966 4.740 -0.002 0.000 0.294 408 N C -0.258 175.219 175.510 -0.056 0.000 1.033 408 N CA -0.399 52.614 53.050 -0.062 0.000 0.839 408 N CB 1.741 40.151 38.487 -0.128 0.000 1.395 408 N HN 0.750 nan 8.380 nan 0.000 0.479 409 Q N 0.444 120.219 119.800 -0.041 0.000 2.291 409 Q HA 0.006 4.345 4.340 -0.002 0.000 0.205 409 Q C 0.548 176.530 176.000 -0.030 0.000 0.970 409 Q CA 1.091 56.874 55.803 -0.033 0.000 0.876 409 Q CB 0.235 28.958 28.738 -0.026 0.000 0.935 409 Q HN 0.467 nan 8.270 nan 0.000 0.455 410 N N 0.280 118.952 118.700 -0.047 0.000 2.325 410 N HA 0.038 4.776 4.740 -0.002 0.000 0.182 410 N C -0.339 175.122 175.510 -0.081 0.000 1.088 410 N CA 0.500 53.527 53.050 -0.039 0.000 0.879 410 N CB 0.610 39.075 38.487 -0.037 0.000 0.983 410 N HN 0.073 nan 8.380 nan 0.000 0.471 411 K N 0.486 120.773 120.400 -0.190 0.000 2.756 411 K HA 0.377 4.695 4.320 -0.002 0.000 0.218 411 K C 0.355 176.804 176.600 -0.252 0.000 1.057 411 K CA -0.060 55.919 56.287 -0.513 0.000 1.056 411 K CB 1.658 33.518 32.500 -1.066 0.000 1.235 411 K HN -0.120 nan 8.250 nan 0.000 0.547 412 M N 0.178 119.817 119.600 0.065 0.000 2.329 412 M HA 0.131 4.609 4.480 -0.002 0.000 0.244 412 M C 0.476 176.936 176.300 0.266 0.000 1.156 412 M CA 0.794 56.172 55.300 0.130 0.000 1.192 412 M CB 0.419 33.082 32.600 0.105 0.000 1.241 412 M HN 0.077 nan 8.290 nan 0.000 0.465 413 V N 0.834 120.965 119.914 0.361 0.000 2.459 413 V HA 0.204 4.323 4.120 -0.002 0.000 0.295 413 V C 0.115 176.417 176.094 0.348 0.000 1.029 413 V CA -0.683 61.833 62.300 0.360 0.000 0.874 413 V CB 1.509 33.543 31.823 0.352 0.000 0.985 413 V HN 0.351 nan 8.190 nan 0.000 0.438 414 T N 2.935 117.669 114.554 0.299 0.000 2.900 414 T HA 0.042 4.391 4.350 -0.002 0.000 0.307 414 T C 1.417 176.127 174.700 0.017 0.000 1.065 414 T CA 0.293 62.452 62.100 0.099 0.000 1.105 414 T CB 0.864 69.825 68.868 0.156 0.000 0.979 414 T HN 0.805 nan 8.240 nan 0.000 0.544 415 S N 2.838 118.466 115.700 -0.121 0.000 2.442 415 S HA -0.077 4.391 4.470 -0.002 0.000 0.236 415 S C 1.881 176.512 174.600 0.053 0.000 1.007 415 S CA 0.653 58.821 58.200 -0.055 0.000 0.965 415 S CB -0.132 62.998 63.200 -0.115 0.000 0.773 415 S HN 0.705 nan 8.310 nan 0.000 0.504 416 E N 0.999 121.261 120.200 0.104 0.000 2.204 416 E HA 0.012 4.361 4.350 -0.002 0.000 0.194 416 E C 1.732 178.525 176.600 0.321 0.000 0.989 416 E CA 0.673 57.199 56.400 0.209 0.000 0.824 416 E CB -0.139 29.674 29.700 0.188 0.000 0.756 416 E HN 0.482 nan 8.360 nan 0.000 0.477 417 L N -0.510 120.865 121.223 0.254 0.000 2.515 417 L HA 0.145 4.484 4.340 -0.002 0.000 0.223 417 L C 2.495 179.450 176.870 0.143 0.000 1.079 417 L CA 0.085 55.065 54.840 0.233 0.000 0.857 417 L CB 0.150 42.323 42.059 0.190 0.000 1.050 417 L HN -0.053 nan 8.230 nan 0.000 0.476 418 R N -0.304 120.271 120.500 0.126 0.000 2.173 418 R HA 0.025 4.364 4.340 -0.002 0.000 0.208 418 R C 1.347 177.693 176.300 0.077 0.000 1.035 418 R CA 0.702 56.861 56.100 0.098 0.000 1.004 418 R CB 0.394 30.751 30.300 0.095 0.000 0.917 418 R HN 0.308 nan 8.270 nan 0.000 0.462 419 N N -0.361 118.381 118.700 0.071 0.000 2.382 419 N HA 0.053 4.792 4.740 -0.002 0.000 0.200 419 N C -0.064 175.490 175.510 0.074 0.000 1.122 419 N CA 0.511 53.584 53.050 0.040 0.000 0.870 419 N CB 0.811 39.291 38.487 -0.013 0.000 1.176 419 N HN -0.004 nan 8.380 nan 0.000 0.474 420 K N 0.905 121.389 120.400 0.140 0.000 2.861 420 K HA 0.248 4.567 4.320 -0.002 0.000 0.210 420 K C -0.607 176.266 176.600 0.455 0.000 1.112 420 K CA -0.339 56.069 56.287 0.202 0.000 1.076 420 K CB 0.748 33.267 32.500 0.032 0.000 0.853 420 K HN -0.075 nan 8.250 nan 0.000 0.463 421 L N 1.337 122.781 121.223 0.369 0.000 2.331 421 L HA 0.306 4.644 4.340 -0.002 0.000 0.278 421 L C -0.615 176.466 176.870 0.351 0.000 1.106 421 L CA -0.265 54.751 54.840 0.292 0.000 0.824 421 L CB 0.184 42.282 42.059 0.066 0.000 1.142 421 L HN 0.074 nan 8.230 nan 0.000 0.443 422 F N 4.667 124.703 119.950 0.144 0.000 2.394 422 F HA 0.441 4.967 4.527 -0.002 0.000 0.340 422 F C -0.151 175.657 175.800 0.013 0.000 1.105 422 F CA -0.135 57.898 58.000 0.054 0.000 1.124 422 F CB 0.753 39.723 39.000 -0.050 0.000 1.145 422 F HN 0.490 nan 8.300 nan 0.000 0.505 423 Q N 7.890 127.296 119.800 -0.657 0.000 2.340 423 Q HA 0.254 4.593 4.340 -0.002 0.000 0.268 423 Q C -1.893 173.545 176.000 -0.937 0.000 1.031 423 Q CA -1.929 53.490 55.803 -0.639 0.000 0.804 423 Q CB 2.307 30.594 28.738 -0.753 0.000 1.286 423 Q HN 0.431 nan 8.270 nan 0.000 0.448 424 P HA -0.179 nan 4.420 nan 0.000 0.218 424 P C 0.910 177.876 177.300 -0.557 0.000 1.148 424 P CA 1.404 64.051 63.100 -0.754 0.000 0.822 424 P CB 0.298 31.591 31.700 -0.679 0.000 0.784 425 T N -0.861 113.370 114.554 -0.538 0.000 2.737 425 T HA -0.083 4.266 4.350 -0.002 0.000 0.265 425 T C 1.286 175.609 174.700 -0.627 0.000 1.038 425 T CA 1.185 62.936 62.100 -0.581 0.000 1.144 425 T CB -0.598 67.817 68.868 -0.754 0.000 0.866 425 T HN 0.277 nan 8.240 nan 0.000 0.434 426 H N 0.426 119.292 119.070 -0.340 0.000 2.683 426 H HA 0.436 4.991 4.556 -0.002 0.000 0.276 426 H C 1.126 176.196 175.328 -0.430 0.000 1.564 426 H CA -0.226 55.674 56.048 -0.246 0.000 1.590 426 H CB 0.784 30.563 29.762 0.028 0.000 1.692 426 H HN 0.109 nan 8.280 nan 0.000 0.871 427 K N 0.124 120.471 120.400 -0.090 0.000 2.504 427 K HA 0.148 4.467 4.320 -0.002 0.000 0.203 427 K C 0.347 177.160 176.600 0.355 0.000 1.350 427 K CA 0.180 56.457 56.287 -0.017 0.000 0.953 427 K CB 0.929 33.473 32.500 0.074 0.000 1.243 427 K HN 0.291 nan 8.250 nan 0.000 0.534 428 V N 0.526 120.563 119.914 0.205 0.000 2.785 428 V HA 0.239 4.358 4.120 -0.002 0.000 0.300 428 V C -0.239 176.055 176.094 0.333 0.000 1.062 428 V CA -0.528 61.935 62.300 0.273 0.000 1.029 428 V CB 0.817 32.679 31.823 0.064 0.000 1.024 428 V HN 0.185 nan 8.190 nan 0.000 0.477 429 H N 3.029 122.302 119.070 0.338 0.000 2.638 429 H HA 0.557 5.112 4.556 -0.002 0.000 0.232 429 H C 0.984 176.407 175.328 0.159 0.000 1.756 429 H CA 0.407 56.675 56.048 0.366 0.000 1.234 429 H CB 0.209 30.171 29.762 0.333 0.000 1.616 429 H HN 1.007 nan 8.280 nan 0.000 0.510 430 G N 0.028 108.902 108.800 0.124 0.000 4.165 430 G HA2 0.101 4.060 3.960 -0.002 0.000 0.287 430 G HA3 0.101 4.060 3.960 -0.002 0.000 0.287 430 G C -0.223 174.599 174.900 -0.130 0.000 1.019 430 G CA -0.227 44.854 45.100 -0.032 0.000 0.806 430 G HN 0.189 nan 8.290 nan 0.000 0.447 431 F N 0.545 120.519 119.950 0.040 0.000 2.368 431 F HA 0.504 5.030 4.527 -0.002 0.000 0.308 431 F C 0.209 176.020 175.800 0.019 0.000 1.198 431 F CA -0.453 57.551 58.000 0.006 0.000 1.130 431 F CB 1.280 40.253 39.000 -0.045 0.000 1.300 431 F HN -0.089 nan 8.300 nan 0.000 0.537 432 D N 1.530 122.086 120.400 0.260 0.000 2.505 432 D HA 0.153 4.792 4.640 -0.002 0.000 0.250 432 D C 0.320 176.652 176.300 0.053 0.000 1.164 432 D CA -0.389 53.688 54.000 0.128 0.000 0.870 432 D CB 1.541 42.406 40.800 0.108 0.000 1.160 432 D HN 0.378 nan 8.370 nan 0.000 0.549 433 L N 4.727 125.943 121.223 -0.010 0.000 2.093 433 L HA 0.094 4.433 4.340 -0.002 0.000 0.208 433 L C 1.981 178.734 176.870 -0.194 0.000 1.085 433 L CA 2.195 56.947 54.840 -0.145 0.000 0.755 433 L CB -0.488 41.422 42.059 -0.248 0.000 0.904 433 L HN 0.505 nan 8.230 nan 0.000 0.435 434 A N -0.765 122.017 122.820 -0.062 0.000 1.969 434 A HA 0.035 4.354 4.320 -0.002 0.000 0.218 434 A C 2.388 179.938 177.584 -0.057 0.000 1.169 434 A CA 1.423 53.446 52.037 -0.024 0.000 0.635 434 A CB -0.881 18.295 19.000 0.294 0.000 0.810 434 A HN 0.535 nan 8.150 nan 0.000 0.445 435 A N -0.027 122.779 122.820 -0.023 0.000 1.898 435 A HA 0.048 4.367 4.320 -0.002 0.000 0.214 435 A C 2.059 179.553 177.584 -0.150 0.000 1.183 435 A CA 1.202 53.210 52.037 -0.049 0.000 0.622 435 A CB -0.529 18.464 19.000 -0.013 0.000 0.824 435 A HN 0.440 nan 8.150 nan 0.000 0.444 436 I N 0.329 120.825 120.570 -0.123 0.000 2.208 436 I HA -0.327 3.842 4.170 -0.002 0.000 0.245 436 I C 2.231 178.284 176.117 -0.106 0.000 1.097 436 I CA 1.592 62.840 61.300 -0.087 0.000 1.363 436 I CB -0.543 37.485 38.000 0.048 0.000 1.051 436 I HN 0.458 nan 8.210 nan 0.000 0.413 437 N N 0.493 119.037 118.700 -0.260 0.000 2.223 437 N HA -0.154 4.585 4.740 -0.002 0.000 0.185 437 N C 1.901 177.287 175.510 -0.208 0.000 1.016 437 N CA 0.932 53.752 53.050 -0.383 0.000 0.863 437 N CB 0.026 37.786 38.487 -1.212 0.000 0.983 437 N HN 0.331 nan 8.380 nan 0.000 0.429 438 L N 0.674 121.805 121.223 -0.153 0.000 2.209 438 L HA -0.064 4.275 4.340 -0.002 0.000 0.207 438 L C 2.326 179.175 176.870 -0.036 0.000 1.094 438 L CA 0.729 55.568 54.840 -0.001 0.000 0.790 438 L CB -0.168 41.950 42.059 0.099 0.000 0.932 438 L HN 0.219 nan 8.230 nan 0.000 0.447 439 Q N -0.379 119.311 119.800 -0.183 0.000 2.187 439 Q HA -0.180 4.159 4.340 -0.002 0.000 0.199 439 Q C 2.190 178.215 176.000 0.043 0.000 0.957 439 Q CA 0.811 56.476 55.803 -0.230 0.000 0.857 439 Q CB 0.108 28.335 28.738 -0.851 0.000 0.929 439 Q HN 0.214 nan 8.270 nan 0.000 0.453 440 R N 0.471 121.053 120.500 0.137 0.000 2.120 440 R HA -0.104 4.235 4.340 -0.002 0.000 0.234 440 R C 2.100 178.552 176.300 0.253 0.000 1.123 440 R CA 1.359 57.754 56.100 0.492 0.000 0.975 440 R CB -0.773 29.862 30.300 0.558 0.000 0.866 440 R HN 0.239 nan 8.270 nan 0.000 0.446 441 C N -0.223 118.974 119.300 -0.171 0.000 2.413 441 C HA -0.054 4.405 4.460 -0.002 0.000 0.276 441 C C 2.470 177.399 174.990 -0.103 0.000 1.248 441 C CA 1.114 59.805 59.018 -0.544 0.000 1.742 441 C CB -0.802 26.731 27.740 -0.344 0.000 2.017 441 C HN 0.520 nan 8.230 nan 0.000 0.481 442 R N 0.262 120.827 120.500 0.108 0.000 2.119 442 R HA -0.083 4.256 4.340 -0.002 0.000 0.222 442 R C 1.791 178.255 176.300 0.273 0.000 1.088 442 R CA 1.399 57.633 56.100 0.223 0.000 0.984 442 R CB -0.383 30.120 30.300 0.339 0.000 0.884 442 R HN 0.502 nan 8.270 nan 0.000 0.447 443 D N 0.147 120.781 120.400 0.391 0.000 2.144 443 D HA -0.146 4.492 4.640 -0.002 0.000 0.200 443 D C 1.313 177.821 176.300 0.346 0.000 0.978 443 D CA 1.194 55.447 54.000 0.420 0.000 0.833 443 D CB 0.066 41.237 40.800 0.618 0.000 0.961 443 D HN 0.345 nan 8.370 nan 0.000 0.470 444 H N -1.196 118.011 119.070 0.229 0.000 2.539 444 H HA 0.240 4.795 4.556 -0.002 0.000 0.267 444 H C 0.959 176.316 175.328 0.049 0.000 0.982 444 H CA 0.425 56.604 56.048 0.218 0.000 1.146 444 H CB 0.417 30.403 29.762 0.373 0.000 1.382 444 H HN 0.240 nan 8.280 nan 0.000 0.577 445 G N 1.899 110.669 108.800 -0.049 0.000 2.272 445 G HA2 -0.267 3.692 3.960 -0.002 0.000 0.280 445 G HA3 -0.267 3.692 3.960 -0.002 0.000 0.280 445 G C 0.239 175.000 174.900 -0.232 0.000 1.067 445 G CA -0.152 44.598 45.100 -0.583 0.000 0.902 445 G HN 0.123 nan 8.290 nan 0.000 0.500 446 M N 0.146 119.719 119.600 -0.046 0.000 2.238 446 M HA 0.190 4.669 4.480 -0.002 0.000 0.350 446 M C -1.592 174.782 176.300 0.124 0.000 1.321 446 M CA -1.788 53.561 55.300 0.082 0.000 1.097 446 M CB -0.078 32.518 32.600 -0.006 0.000 1.713 446 M HN 0.037 nan 8.290 nan 0.000 0.455 447 P HA 0.161 nan 4.420 nan 0.000 0.272 447 P C 0.279 177.668 177.300 0.149 0.000 1.230 447 P CA -0.229 62.881 63.100 0.017 0.000 0.788 447 P CB 0.425 31.912 31.700 -0.356 0.000 0.949 448 G N -0.126 108.706 108.800 0.053 0.000 2.653 448 G HA2 -0.052 3.907 3.960 -0.002 0.000 0.265 448 G HA3 -0.052 3.907 3.960 -0.002 0.000 0.265 448 G C 0.344 175.389 174.900 0.241 0.000 1.237 448 G CA -0.141 45.034 45.100 0.126 0.000 0.946 448 G HN 0.461 nan 8.290 nan 0.000 0.522 449 Y N 0.566 120.928 120.300 0.104 0.000 2.069 449 Y HA -0.258 4.290 4.550 -0.002 0.000 0.278 449 Y C 2.697 178.684 175.900 0.146 0.000 1.175 449 Y CA 2.739 60.923 58.100 0.140 0.000 1.134 449 Y CB -0.214 38.254 38.460 0.013 0.000 0.965 449 Y HN 0.451 nan 8.280 nan 0.000 0.498 450 N N -0.408 118.318 118.700 0.042 0.000 2.309 450 N HA -0.131 4.608 4.740 -0.002 0.000 0.182 450 N C 1.896 177.360 175.510 -0.078 0.000 1.018 450 N CA 1.353 54.367 53.050 -0.061 0.000 0.876 450 N CB -0.431 38.071 38.487 0.025 0.000 0.972 450 N HN 0.324 nan 8.380 nan 0.000 0.434 451 S N -0.444 115.181 115.700 -0.125 0.000 2.383 451 S HA -0.116 4.353 4.470 -0.002 0.000 0.229 451 S C 1.514 175.928 174.600 -0.309 0.000 1.030 451 S CA 0.939 58.972 58.200 -0.277 0.000 1.002 451 S CB -0.345 62.569 63.200 -0.476 0.000 0.829 451 S HN 0.528 nan 8.310 nan 0.000 0.467 452 W N 1.452 122.755 121.300 0.005 0.000 2.494 452 W HA 0.172 4.830 4.660 -0.002 0.000 0.286 452 W C 2.537 179.077 176.519 0.035 0.000 1.218 452 W CA -0.458 56.920 57.345 0.055 0.000 1.313 452 W CB -0.090 29.375 29.460 0.009 0.000 1.105 452 W HN 0.025 nan 8.180 nan 0.000 0.561 453 R N 0.379 120.901 120.500 0.037 0.000 2.096 453 R HA -0.128 4.210 4.340 -0.002 0.000 0.240 453 R C 2.310 178.636 176.300 0.043 0.000 1.139 453 R CA 1.716 57.783 56.100 -0.055 0.000 0.952 453 R CB -1.653 28.505 30.300 -0.236 0.000 0.854 453 R HN 0.359 nan 8.270 nan 0.000 0.436 454 G N 0.388 109.209 108.800 0.035 0.000 2.418 454 G HA2 -0.297 3.661 3.960 -0.002 0.000 0.217 454 G HA3 -0.297 3.661 3.960 -0.002 0.000 0.217 454 G C 1.396 176.355 174.900 0.098 0.000 1.158 454 G CA 0.548 45.675 45.100 0.044 0.000 0.771 454 G HN 0.317 nan 8.290 nan 0.000 0.545 455 F N 1.304 121.261 119.950 0.012 0.000 2.126 455 F HA -0.151 4.375 4.527 -0.002 0.000 0.299 455 F C 2.321 178.184 175.800 0.104 0.000 1.096 455 F CA 1.402 59.443 58.000 0.069 0.000 1.255 455 F CB -0.348 38.755 39.000 0.171 0.000 0.997 455 F HN 0.176 nan 8.300 nan 0.000 0.479 456 c N 0.791 119.446 118.600 0.092 0.000 2.626 456 c HA 0.392 4.961 4.570 -0.002 0.000 0.266 456 c C 1.565 175.688 174.090 0.055 0.000 1.317 456 c CA 0.550 56.884 56.329 0.008 0.000 1.716 456 c CB -1.440 41.144 42.510 0.123 0.000 1.819 456 c HN 0.878 nan 8.230 nan 0.000 0.578 457 G N 1.241 110.057 108.800 0.026 0.000 2.324 457 G HA2 -0.225 3.734 3.960 -0.002 0.000 0.292 457 G HA3 -0.225 3.734 3.960 -0.002 0.000 0.292 457 G C -0.456 174.471 174.900 0.045 0.000 1.079 457 G CA -0.121 44.995 45.100 0.026 0.000 1.026 457 G HN 0.534 nan 8.290 nan 0.000 0.506 458 L N 0.685 121.934 121.223 0.043 0.000 2.362 458 L HA 0.626 4.964 4.340 -0.002 0.000 0.271 458 L C 1.230 178.110 176.870 0.016 0.000 1.002 458 L CA -0.657 54.205 54.840 0.037 0.000 0.818 458 L CB 1.998 44.082 42.059 0.043 0.000 1.298 458 L HN 0.513 nan 8.230 nan 0.000 0.420 459 S N 2.005 117.718 115.700 0.023 0.000 2.573 459 S HA -0.001 4.468 4.470 -0.002 0.000 0.297 459 S C -0.279 174.334 174.600 0.023 0.000 1.280 459 S CA -0.251 57.964 58.200 0.025 0.000 1.061 459 S CB 0.224 63.443 63.200 0.033 0.000 0.812 459 S HN 0.615 nan 8.310 nan 0.000 0.500 460 Q N 3.218 123.033 119.800 0.025 0.000 2.400 460 Q HA 0.373 4.711 4.340 -0.002 0.000 0.255 460 Q C -2.556 173.482 176.000 0.062 0.000 1.008 460 Q CA -1.977 53.845 55.803 0.031 0.000 0.841 460 Q CB 1.079 29.826 28.738 0.016 0.000 1.220 460 Q HN 0.549 nan 8.270 nan 0.000 0.474 461 P HA 0.079 nan 4.420 nan 0.000 0.276 461 P C -0.035 177.314 177.300 0.082 0.000 1.230 461 P CA -0.285 62.873 63.100 0.096 0.000 0.776 461 P CB 1.016 32.794 31.700 0.130 0.000 0.888 462 K N 0.059 120.493 120.400 0.058 0.000 2.450 462 K HA 0.155 4.474 4.320 -0.002 0.000 0.206 462 K C 0.531 177.153 176.600 0.037 0.000 1.148 462 K CA 0.541 56.858 56.287 0.050 0.000 1.014 462 K CB 0.588 33.116 32.500 0.047 0.000 0.966 462 K HN 0.573 nan 8.250 nan 0.000 0.566 463 T N -2.090 112.483 114.554 0.032 0.000 2.916 463 T HA 0.373 4.721 4.350 -0.002 0.000 0.292 463 T C 1.182 175.890 174.700 0.013 0.000 1.055 463 T CA -0.800 61.312 62.100 0.020 0.000 1.009 463 T CB 1.925 70.806 68.868 0.022 0.000 1.118 463 T HN -0.088 nan 8.240 nan 0.000 0.497 464 L N 0.899 122.124 121.223 0.004 0.000 1.978 464 L HA -0.153 4.186 4.340 -0.002 0.000 0.218 464 L C 2.830 179.703 176.870 0.005 0.000 1.075 464 L CA 1.913 56.753 54.840 -0.001 0.000 0.767 464 L CB -0.352 41.705 42.059 -0.003 0.000 0.890 464 L HN 0.878 nan 8.230 nan 0.000 0.434 465 K N -0.790 119.615 120.400 0.009 0.000 2.152 465 K HA -0.161 4.158 4.320 -0.002 0.000 0.206 465 K C 1.835 178.445 176.600 0.018 0.000 1.048 465 K CA 1.350 57.644 56.287 0.012 0.000 0.933 465 K CB -0.374 32.134 32.500 0.012 0.000 0.721 465 K HN 0.547 nan 8.250 nan 0.000 0.447 466 G N 0.792 109.606 108.800 0.023 0.000 2.404 466 G HA2 -0.233 3.726 3.960 -0.002 0.000 0.215 466 G HA3 -0.233 3.726 3.960 -0.002 0.000 0.215 466 G C 1.322 176.247 174.900 0.042 0.000 1.174 466 G CA 0.651 45.771 45.100 0.033 0.000 0.780 466 G HN 0.279 nan 8.290 nan 0.000 0.537 467 L N 0.232 121.475 121.223 0.034 0.000 2.217 467 L HA 0.116 4.455 4.340 -0.002 0.000 0.211 467 L C 2.867 179.748 176.870 0.018 0.000 1.107 467 L CA 1.348 56.207 54.840 0.031 0.000 0.783 467 L CB -0.279 41.779 42.059 -0.002 0.000 0.919 467 L HN 0.276 nan 8.230 nan 0.000 0.442 468 Q N -0.870 118.938 119.800 0.013 0.000 2.084 468 Q HA -0.185 4.154 4.340 -0.002 0.000 0.202 468 Q C 2.296 178.305 176.000 0.016 0.000 0.978 468 Q CA 1.574 57.383 55.803 0.009 0.000 0.844 468 Q CB -0.339 28.403 28.738 0.007 0.000 0.898 468 Q HN 0.666 nan 8.270 nan 0.000 0.426 469 A N 0.280 123.114 122.820 0.023 0.000 1.940 469 A HA -0.157 4.162 4.320 -0.002 0.000 0.219 469 A C 2.291 179.895 177.584 0.034 0.000 1.176 469 A CA 1.468 53.521 52.037 0.026 0.000 0.631 469 A CB -0.620 18.397 19.000 0.028 0.000 0.814 469 A HN 0.214 nan 8.150 nan 0.000 0.446 470 V N -0.115 119.828 119.914 0.048 0.000 2.273 470 V HA -0.167 3.952 4.120 -0.002 0.000 0.242 470 V C 2.370 178.495 176.094 0.053 0.000 1.035 470 V CA 1.829 64.169 62.300 0.067 0.000 1.013 470 V CB -0.673 31.220 31.823 0.118 0.000 0.652 470 V HN 0.572 nan 8.190 nan 0.000 0.452 471 L N -0.551 120.692 121.223 0.034 0.000 2.552 471 L HA 0.064 4.403 4.340 -0.002 0.000 0.227 471 L C 1.139 178.014 176.870 0.008 0.000 1.146 471 L CA 0.463 55.311 54.840 0.013 0.000 0.858 471 L CB -0.640 41.410 42.059 -0.016 0.000 0.969 471 L HN 0.315 nan 8.230 nan 0.000 0.451 472 K N 1.281 121.688 120.400 0.012 0.000 3.012 472 K HA -0.232 4.087 4.320 -0.002 0.000 0.259 472 K C -0.200 176.401 176.600 0.002 0.000 0.989 472 K CA 0.605 56.897 56.287 0.008 0.000 0.728 472 K CB -1.499 31.006 32.500 0.009 0.000 1.260 472 K HN 0.381 nan 8.250 nan 0.000 0.480 473 N N 0.428 119.128 118.700 -0.000 0.000 2.629 473 N HA 0.159 4.898 4.740 -0.002 0.000 0.277 473 N C 0.303 175.810 175.510 -0.004 0.000 1.188 473 N CA -0.565 52.483 53.050 -0.004 0.000 0.835 473 N CB 1.111 39.593 38.487 -0.008 0.000 1.420 473 N HN -0.065 nan 8.380 nan 0.000 0.542 474 K N 0.860 121.259 120.400 -0.001 0.000 2.063 474 K HA -0.076 4.243 4.320 -0.002 0.000 0.208 474 K C 1.176 177.774 176.600 -0.002 0.000 1.048 474 K CA 1.519 57.805 56.287 -0.001 0.000 0.928 474 K CB 0.180 32.680 32.500 0.001 0.000 0.713 474 K HN 0.331 nan 8.250 nan 0.000 0.442 475 V N 1.389 121.301 119.914 -0.002 0.000 2.379 475 V HA -0.221 3.897 4.120 -0.002 0.000 0.245 475 V C 2.198 178.291 176.094 -0.002 0.000 1.044 475 V CA 1.245 63.544 62.300 -0.001 0.000 1.036 475 V CB -0.394 31.430 31.823 0.001 0.000 0.664 475 V HN 0.259 nan 8.190 nan 0.000 0.453 476 L N 1.170 122.390 121.223 -0.005 0.000 2.017 476 L HA -0.051 4.288 4.340 -0.002 0.000 0.208 476 L C 2.485 179.348 176.870 -0.011 0.000 1.073 476 L CA 2.356 57.192 54.840 -0.007 0.000 0.745 476 L CB -1.000 41.050 42.059 -0.014 0.000 0.894 476 L HN 0.201 nan 8.230 nan 0.000 0.432 477 A N -0.395 122.415 122.820 -0.016 0.000 1.883 477 A HA -0.308 4.011 4.320 -0.002 0.000 0.217 477 A C 2.468 180.044 177.584 -0.012 0.000 1.186 477 A CA 2.197 54.222 52.037 -0.021 0.000 0.624 477 A CB -0.740 18.249 19.000 -0.018 0.000 0.822 477 A HN 0.540 nan 8.150 nan 0.000 0.444 478 K N -0.113 120.282 120.400 -0.008 0.000 2.009 478 K HA -0.212 4.107 4.320 -0.002 0.000 0.210 478 K C 2.053 178.649 176.600 -0.007 0.000 1.049 478 K CA 1.934 58.216 56.287 -0.008 0.000 0.929 478 K CB -0.206 32.290 32.500 -0.006 0.000 0.714 478 K HN 0.482 nan 8.250 nan 0.000 0.440 479 K N 0.238 120.637 120.400 -0.002 0.000 2.097 479 K HA -0.154 4.165 4.320 -0.002 0.000 0.206 479 K C 2.134 178.742 176.600 0.014 0.000 1.049 479 K CA 1.034 57.322 56.287 0.002 0.000 0.933 479 K CB -0.153 32.352 32.500 0.007 0.000 0.717 479 K HN 0.082 nan 8.250 nan 0.000 0.442 480 L N 1.230 122.471 121.223 0.031 0.000 2.056 480 L HA -0.102 4.237 4.340 -0.002 0.000 0.207 480 L C 1.974 178.918 176.870 0.124 0.000 1.078 480 L CA 1.447 56.344 54.840 0.095 0.000 0.749 480 L CB -0.299 41.781 42.059 0.035 0.000 0.901 480 L HN 0.141 nan 8.230 nan 0.000 0.433 481 L N -1.157 120.088 121.223 0.038 0.000 2.156 481 L HA -0.169 4.170 4.340 -0.002 0.000 0.208 481 L C 2.065 178.916 176.870 -0.032 0.000 1.095 481 L CA 0.862 55.705 54.840 0.005 0.000 0.770 481 L CB -0.511 41.532 42.059 -0.027 0.000 0.914 481 L HN 0.286 nan 8.230 nan 0.000 0.439 482 D N -0.006 120.374 120.400 -0.033 0.000 2.178 482 D HA -0.154 4.485 4.640 -0.002 0.000 0.201 482 D C 2.304 178.556 176.300 -0.080 0.000 0.980 482 D CA 1.201 55.168 54.000 -0.055 0.000 0.842 482 D CB 0.127 40.904 40.800 -0.039 0.000 0.948 482 D HN 0.310 nan 8.370 nan 0.000 0.472 483 L N -0.818 120.346 121.223 -0.097 0.000 2.127 483 L HA -0.117 4.222 4.340 -0.002 0.000 0.203 483 L C 1.942 178.657 176.870 -0.258 0.000 1.080 483 L CA 0.776 55.491 54.840 -0.208 0.000 0.768 483 L CB -0.096 41.773 42.059 -0.316 0.000 0.924 483 L HN 0.012 nan 8.230 nan 0.000 0.444 484 Y N -0.513 119.737 120.300 -0.083 0.000 2.478 484 Y HA 0.016 4.565 4.550 -0.002 0.000 0.261 484 Y C 1.293 177.074 175.900 -0.197 0.000 1.127 484 Y CA -0.397 57.646 58.100 -0.095 0.000 1.288 484 Y CB 0.314 38.731 38.460 -0.072 0.000 1.084 484 Y HN -0.005 nan 8.280 nan 0.000 0.530 485 K N -0.686 119.621 120.400 -0.155 0.000 3.518 485 K HA -0.274 4.045 4.320 -0.002 0.000 0.287 485 K C 0.468 176.793 176.600 -0.459 0.000 0.935 485 K CA 1.723 57.724 56.287 -0.477 0.000 1.201 485 K CB -1.823 30.040 32.500 -1.060 0.000 1.453 485 K HN 0.373 nan 8.250 nan 0.000 0.443 486 T N -0.708 113.716 114.554 -0.217 0.000 2.942 486 T HA 0.422 4.771 4.350 -0.002 0.000 0.327 486 T C -2.550 172.140 174.700 -0.016 0.000 1.360 486 T CA -1.233 60.816 62.100 -0.084 0.000 1.055 486 T CB 2.239 71.107 68.868 -0.000 0.000 1.261 486 T HN -0.258 nan 8.240 nan 0.000 0.485 487 P HA 0.023 nan 4.420 nan 0.000 0.222 487 P C 0.756 178.092 177.300 0.060 0.000 1.147 487 P CA 0.718 63.826 63.100 0.013 0.000 0.790 487 P CB 0.167 31.918 31.700 0.085 0.000 0.780 488 D N -1.148 119.291 120.400 0.064 0.000 2.309 488 D HA -0.097 4.542 4.640 -0.002 0.000 0.212 488 D C 1.111 177.426 176.300 0.025 0.000 0.968 488 D CA 0.960 54.996 54.000 0.060 0.000 0.882 488 D CB -0.476 40.358 40.800 0.057 0.000 0.918 488 D HN 0.168 nan 8.370 nan 0.000 0.503 489 N N -0.469 118.228 118.700 -0.005 0.000 2.220 489 N HA 0.144 4.883 4.740 -0.002 0.000 0.195 489 N C 0.205 175.596 175.510 -0.198 0.000 1.123 489 N CA -0.152 52.887 53.050 -0.018 0.000 0.874 489 N CB 0.726 39.269 38.487 0.093 0.000 0.995 489 N HN 0.172 nan 8.380 nan 0.000 0.498 490 I N 1.838 122.119 120.570 -0.482 0.000 2.662 490 I HA -0.071 4.098 4.170 -0.002 0.000 0.285 490 I C 0.190 176.043 176.117 -0.440 0.000 1.161 490 I CA 0.190 60.853 61.300 -1.061 0.000 1.415 490 I CB 0.202 37.734 38.000 -0.779 0.000 1.385 490 I HN -0.073 nan 8.210 nan 0.000 0.552 491 D N 5.927 126.115 120.400 -0.353 0.000 2.488 491 D HA -0.033 4.606 4.640 -0.002 0.000 0.238 491 D C 1.150 177.488 176.300 0.063 0.000 1.138 491 D CA 0.219 54.228 54.000 0.014 0.000 0.873 491 D CB 1.544 42.447 40.800 0.172 0.000 1.183 491 D HN 0.554 nan 8.370 nan 0.000 0.458 492 I N 2.338 122.980 120.570 0.120 0.000 2.127 492 I HA -0.260 3.908 4.170 -0.002 0.000 0.241 492 I C 2.091 178.304 176.117 0.160 0.000 1.075 492 I CA 1.332 62.721 61.300 0.149 0.000 1.334 492 I CB 0.075 38.092 38.000 0.027 0.000 1.040 492 I HN 0.593 nan 8.210 nan 0.000 0.405 493 W N 1.413 122.723 121.300 0.016 0.000 2.302 493 W HA -0.316 4.343 4.660 -0.002 0.000 0.320 493 W C 2.312 178.886 176.519 0.091 0.000 1.241 493 W CA 2.663 60.058 57.345 0.083 0.000 1.264 493 W CB -0.480 29.056 29.460 0.126 0.000 1.154 493 W HN 0.299 nan 8.180 nan 0.000 0.483 494 I N 0.213 120.834 120.570 0.084 0.000 2.202 494 I HA -0.091 4.078 4.170 -0.002 0.000 0.242 494 I C 2.372 178.385 176.117 -0.173 0.000 1.091 494 I CA 2.086 63.301 61.300 -0.142 0.000 1.368 494 I CB -1.075 36.989 38.000 0.106 0.000 1.058 494 I HN 0.130 nan 8.210 nan 0.000 0.410 495 G N 0.092 108.810 108.800 -0.138 0.000 2.446 495 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.217 495 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.217 495 G C 1.592 176.446 174.900 -0.075 0.000 1.168 495 G CA 0.758 45.680 45.100 -0.296 0.000 0.771 495 G HN 0.536 nan 8.290 nan 0.000 0.551 496 G N 0.498 109.364 108.800 0.109 0.000 2.408 496 G HA2 -0.177 3.781 3.960 -0.002 0.000 0.217 496 G HA3 -0.177 3.781 3.960 -0.002 0.000 0.217 496 G C 1.654 176.552 174.900 -0.004 0.000 1.150 496 G CA 0.949 46.130 45.100 0.134 0.000 0.776 496 G HN 0.513 nan 8.290 nan 0.000 0.542 497 N N 0.375 118.992 118.700 -0.138 0.000 2.494 497 N HA 0.175 4.914 4.740 -0.002 0.000 0.182 497 N C 2.151 177.581 175.510 -0.132 0.000 1.076 497 N CA 0.626 53.568 53.050 -0.179 0.000 0.908 497 N CB 0.046 38.295 38.487 -0.397 0.000 0.967 497 N HN 0.321 nan 8.380 nan 0.000 0.449 498 A N 0.468 123.213 122.820 -0.124 0.000 2.067 498 A HA 0.011 4.330 4.320 -0.002 0.000 0.217 498 A C 0.670 178.224 177.584 -0.050 0.000 1.156 498 A CA 0.408 52.386 52.037 -0.099 0.000 0.683 498 A CB 0.010 18.929 19.000 -0.134 0.000 0.808 498 A HN 0.253 nan 8.150 nan 0.000 0.455 499 E N 1.000 121.193 120.200 -0.013 0.000 2.392 499 E HA 0.224 4.573 4.350 -0.002 0.000 0.264 499 E C -2.365 174.241 176.600 0.010 0.000 1.024 499 E CA -1.735 54.681 56.400 0.027 0.000 0.903 499 E CB 0.196 29.944 29.700 0.080 0.000 0.963 499 E HN 0.254 nan 8.360 nan 0.000 0.432 500 P HA 0.019 nan 4.420 nan 0.000 0.274 500 P C -0.517 176.787 177.300 0.006 0.000 1.237 500 P CA 0.021 63.124 63.100 0.006 0.000 0.793 500 P CB 0.536 32.241 31.700 0.008 0.000 0.977 501 M N 0.996 120.596 119.600 0.001 0.000 2.243 501 M HA 0.130 4.609 4.480 -0.002 0.000 0.341 501 M C 0.499 176.797 176.300 -0.002 0.000 1.130 501 M CA -0.450 54.847 55.300 -0.005 0.000 1.162 501 M CB 0.407 33.004 32.600 -0.004 0.000 1.497 501 M HN 0.153 nan 8.290 nan 0.000 0.456 502 V N -0.266 119.645 119.914 -0.005 0.000 3.051 502 V HA 0.209 4.328 4.120 -0.002 0.000 0.306 502 V C 0.217 176.305 176.094 -0.010 0.000 1.083 502 V CA -0.876 61.424 62.300 -0.000 0.000 1.104 502 V CB 0.653 32.482 31.823 0.009 0.000 1.027 502 V HN 0.900 nan 8.190 nan 0.000 0.483 503 E N 2.484 122.678 120.200 -0.009 0.000 2.417 503 E HA 0.069 4.418 4.350 -0.002 0.000 0.261 503 E C 0.264 176.849 176.600 -0.025 0.000 1.000 503 E CA -0.071 56.319 56.400 -0.017 0.000 0.919 503 E CB 0.128 29.819 29.700 -0.015 0.000 0.955 503 E HN 0.724 nan 8.360 nan 0.000 0.455 504 R N 0.904 121.383 120.500 -0.034 0.000 3.989 504 R HA -0.167 4.172 4.340 -0.002 0.000 0.377 504 R C 0.040 176.304 176.300 -0.059 0.000 1.158 504 R CA 1.059 57.130 56.100 -0.048 0.000 1.035 504 R CB -2.267 28.006 30.300 -0.045 0.000 1.557 504 R HN 0.671 nan 8.270 nan 0.000 0.551 505 G N -1.074 107.697 108.800 -0.048 0.000 3.013 505 G HA2 0.657 4.616 3.960 -0.002 0.000 0.278 505 G HA3 0.657 4.616 3.960 -0.002 0.000 0.278 505 G C 0.314 175.194 174.900 -0.033 0.000 1.353 505 G CA -0.613 44.456 45.100 -0.051 0.000 1.043 505 G HN -0.003 nan 8.290 nan 0.000 0.523 506 R N -0.730 119.761 120.500 -0.015 0.000 2.572 506 R HA 0.268 4.607 4.340 -0.002 0.000 0.370 506 R C -0.125 176.150 176.300 -0.042 0.000 1.005 506 R CA 0.027 56.155 56.100 0.047 0.000 1.146 506 R CB 0.542 31.000 30.300 0.263 0.000 1.390 506 R HN 0.522 nan 8.270 nan 0.000 0.553 507 V N -3.962 115.873 119.914 -0.132 0.000 3.114 507 V HA 0.867 4.986 4.120 -0.002 0.000 0.308 507 V C 0.258 176.295 176.094 -0.095 0.000 1.168 507 V CA -1.216 60.973 62.300 -0.186 0.000 1.015 507 V CB 1.700 33.269 31.823 -0.423 0.000 1.050 507 V HN 0.045 nan 8.190 nan 0.000 0.433 508 G N 0.454 109.217 108.800 -0.062 0.000 2.562 508 G HA2 0.577 4.536 3.960 -0.002 0.000 0.275 508 G HA3 0.577 4.536 3.960 -0.002 0.000 0.275 508 G C -1.336 173.573 174.900 0.016 0.000 1.196 508 G CA -1.055 44.041 45.100 -0.007 0.000 0.908 508 G HN 0.660 nan 8.290 nan 0.000 0.524 509 P HA -0.179 nan 4.420 nan 0.000 0.217 509 P C 1.977 179.333 177.300 0.094 0.000 1.151 509 P CA 0.761 63.918 63.100 0.095 0.000 0.849 509 P CB 0.193 31.950 31.700 0.096 0.000 0.787 510 L N -1.051 120.212 121.223 0.067 0.000 2.044 510 L HA -0.063 4.276 4.340 -0.002 0.000 0.205 510 L C 2.567 179.442 176.870 0.009 0.000 1.075 510 L CA 1.609 56.481 54.840 0.053 0.000 0.747 510 L CB -1.318 40.776 42.059 0.059 0.000 0.903 510 L HN -0.185 nan 8.230 nan 0.000 0.435 511 L N -0.561 120.652 121.223 -0.016 0.000 2.093 511 L HA -0.123 4.215 4.340 -0.002 0.000 0.208 511 L C 2.670 179.474 176.870 -0.111 0.000 1.085 511 L CA 0.994 55.793 54.840 -0.069 0.000 0.755 511 L CB -0.832 41.159 42.059 -0.114 0.000 0.904 511 L HN 0.393 nan 8.230 nan 0.000 0.435 512 A N -0.725 122.041 122.820 -0.091 0.000 1.978 512 A HA -0.305 4.014 4.320 -0.002 0.000 0.220 512 A C 2.507 179.936 177.584 -0.259 0.000 1.170 512 A CA 1.923 53.916 52.037 -0.074 0.000 0.636 512 A CB -1.189 17.853 19.000 0.071 0.000 0.810 512 A HN 0.632 nan 8.150 nan 0.000 0.448 513 c N -0.548 117.839 118.600 -0.355 0.000 2.473 513 c HA 0.001 4.569 4.570 -0.002 0.000 0.279 513 c C 2.580 176.290 174.090 -0.633 0.000 1.250 513 c CA 1.203 56.956 56.329 -0.960 0.000 1.713 513 c CB -1.566 40.652 42.510 -0.487 0.000 2.066 513 c HN 0.568 nan 8.230 nan 0.000 0.474 514 L N 0.778 121.901 121.223 -0.166 0.000 2.012 514 L HA -0.159 4.180 4.340 -0.002 0.000 0.210 514 L C 2.722 179.698 176.870 0.177 0.000 1.073 514 L CA 1.750 56.663 54.840 0.121 0.000 0.748 514 L CB -0.700 41.413 42.059 0.090 0.000 0.891 514 L HN 0.420 nan 8.230 nan 0.000 0.431 515 L N -0.631 120.654 121.223 0.104 0.000 2.017 515 L HA -0.142 4.197 4.340 -0.002 0.000 0.208 515 L C 2.726 179.762 176.870 0.276 0.000 1.073 515 L CA 1.513 56.515 54.840 0.269 0.000 0.745 515 L CB -1.300 40.836 42.059 0.128 0.000 0.894 515 L HN 0.333 nan 8.230 nan 0.000 0.432 516 G N -0.119 108.695 108.800 0.023 0.000 2.446 516 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.217 516 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.217 516 G C 1.736 176.693 174.900 0.095 0.000 1.168 516 G CA 0.672 45.805 45.100 0.056 0.000 0.771 516 G HN 0.294 nan 8.290 nan 0.000 0.551 517 R N -0.342 120.101 120.500 -0.095 0.000 2.092 517 R HA -0.040 4.298 4.340 -0.002 0.000 0.231 517 R C 2.604 178.944 176.300 0.067 0.000 1.119 517 R CA 1.412 57.484 56.100 -0.047 0.000 0.970 517 R CB -0.262 29.883 30.300 -0.258 0.000 0.864 517 R HN 0.404 nan 8.270 nan 0.000 0.440 518 Q N 0.341 120.231 119.800 0.149 0.000 2.049 518 Q HA -0.092 4.247 4.340 -0.002 0.000 0.198 518 Q C 1.555 177.458 176.000 -0.162 0.000 0.971 518 Q CA 1.630 57.417 55.803 -0.027 0.000 0.833 518 Q CB -0.170 28.276 28.738 -0.487 0.000 0.896 518 Q HN 0.213 nan 8.270 nan 0.000 0.434 519 F N 0.887 120.838 119.950 0.001 0.000 2.234 519 F HA -0.144 4.382 4.527 -0.002 0.000 0.299 519 F C 2.371 178.315 175.800 0.240 0.000 1.087 519 F CA 1.507 59.567 58.000 0.100 0.000 1.340 519 F CB -0.397 38.587 39.000 -0.026 0.000 1.031 519 F HN 0.360 nan 8.300 nan 0.000 0.500 520 Q N 0.001 119.989 119.800 0.312 0.000 2.083 520 Q HA -0.198 4.141 4.340 -0.002 0.000 0.198 520 Q C 1.885 177.959 176.000 0.122 0.000 0.969 520 Q CA 1.537 57.476 55.803 0.226 0.000 0.838 520 Q CB -0.759 28.090 28.738 0.186 0.000 0.900 520 Q HN 0.423 nan 8.270 nan 0.000 0.436 521 Q N 0.769 120.628 119.800 0.099 0.000 2.084 521 Q HA -0.112 4.227 4.340 -0.002 0.000 0.202 521 Q C 2.296 178.354 176.000 0.098 0.000 0.978 521 Q CA 1.825 57.675 55.803 0.077 0.000 0.844 521 Q CB -0.352 28.435 28.738 0.081 0.000 0.898 521 Q HN 0.766 nan 8.270 nan 0.000 0.426 522 I N -1.852 118.777 120.570 0.098 0.000 2.676 522 I HA -0.134 4.034 4.170 -0.002 0.000 0.259 522 I C 2.400 178.626 176.117 0.181 0.000 1.194 522 I CA 0.993 62.395 61.300 0.169 0.000 1.473 522 I CB -0.206 37.882 38.000 0.146 0.000 1.096 522 I HN 0.001 nan 8.210 nan 0.000 0.443 523 R N 1.442 121.932 120.500 -0.017 0.000 2.066 523 R HA -0.093 4.246 4.340 -0.002 0.000 0.224 523 R C 1.535 177.618 176.300 -0.363 0.000 1.122 523 R CA 1.680 57.415 56.100 -0.609 0.000 0.974 523 R CB -0.354 29.364 30.300 -0.970 0.000 0.871 523 R HN 0.337 nan 8.270 nan 0.000 0.435 524 D N -0.078 120.272 120.400 -0.085 0.000 2.117 524 D HA -0.059 4.580 4.640 -0.002 0.000 0.198 524 D C 1.275 177.652 176.300 0.128 0.000 0.982 524 D CA 1.546 55.560 54.000 0.023 0.000 0.828 524 D CB -0.320 40.476 40.800 -0.007 0.000 0.967 524 D HN 0.463 nan 8.370 nan 0.000 0.464 525 G N -0.000 108.905 108.800 0.174 0.000 3.518 525 G HA2 0.043 4.002 3.960 -0.002 0.000 0.273 525 G HA3 0.043 4.002 3.960 -0.002 0.000 0.273 525 G C -0.448 174.777 174.900 0.541 0.000 1.199 525 G CA -0.254 45.015 45.100 0.282 0.000 0.899 525 G HN -0.011 nan 8.290 nan 0.000 0.533 526 D N -0.488 120.210 120.400 0.497 0.000 2.425 526 D HA 0.257 4.895 4.640 -0.002 0.000 0.240 526 D C 1.382 177.758 176.300 0.126 0.000 1.080 526 D CA -0.773 53.445 54.000 0.363 0.000 0.836 526 D CB 1.289 42.354 40.800 0.442 0.000 1.125 526 D HN 0.000 nan 8.370 nan 0.000 0.525 527 R N 2.601 122.942 120.500 -0.264 0.000 2.152 527 R HA -0.036 4.302 4.340 -0.002 0.000 0.232 527 R C 0.605 176.520 176.300 -0.641 0.000 1.117 527 R CA 1.242 56.828 56.100 -0.856 0.000 0.981 527 R CB 0.010 29.741 30.300 -0.948 0.000 0.870 527 R HN 0.427 nan 8.270 nan 0.000 0.451 528 F N -0.907 118.959 119.950 -0.139 0.000 2.641 528 F HA 0.148 4.674 4.527 -0.002 0.000 0.302 528 F C 0.381 176.256 175.800 0.125 0.000 1.098 528 F CA -0.799 57.169 58.000 -0.053 0.000 1.318 528 F CB 0.035 38.978 39.000 -0.095 0.000 1.035 528 F HN 0.086 nan 8.300 nan 0.000 0.551 529 W N 3.313 124.679 121.300 0.110 0.000 2.343 529 W HA -0.167 4.492 4.660 -0.002 0.000 0.337 529 W C 1.303 177.896 176.519 0.125 0.000 1.320 529 W CA -0.338 57.072 57.345 0.109 0.000 1.290 529 W CB 0.411 29.853 29.460 -0.030 0.000 1.206 529 W HN 0.507 nan 8.180 nan 0.000 0.565 530 W N 4.713 125.761 121.300 -0.419 0.000 2.338 530 W HA -0.216 4.443 4.660 -0.002 0.000 0.304 530 W C 1.090 177.579 176.519 -0.050 0.000 1.212 530 W CA 1.592 58.905 57.345 -0.054 0.000 1.264 530 W CB -0.957 28.351 29.460 -0.252 0.000 1.142 530 W HN 0.466 nan 8.180 nan 0.000 0.512 531 E N 0.915 120.287 120.200 -1.380 0.000 2.409 531 E HA -0.167 4.182 4.350 -0.002 0.000 0.198 531 E C 0.322 176.804 176.600 -0.196 0.000 1.024 531 E CA 0.153 55.931 56.400 -1.035 0.000 0.861 531 E CB -0.373 28.558 29.700 -1.282 0.000 0.788 531 E HN 0.083 nan 8.360 nan 0.000 0.521 532 N N 1.871 120.602 118.700 0.051 0.000 2.431 532 N HA 0.026 4.765 4.740 -0.002 0.000 0.265 532 N C -2.675 172.887 175.510 0.088 0.000 1.184 532 N CA -1.667 51.533 53.050 0.250 0.000 0.943 532 N CB 0.695 39.325 38.487 0.239 0.000 1.080 532 N HN -0.256 nan 8.380 nan 0.000 0.477 533 P HA 0.081 nan 4.420 nan 0.000 0.263 533 P C 0.748 178.034 177.300 -0.022 0.000 1.175 533 P CA 0.762 63.878 63.100 0.026 0.000 0.761 533 P CB 0.492 32.206 31.700 0.024 0.000 0.794 534 G N 0.880 109.660 108.800 -0.033 0.000 2.258 534 G HA2 -0.291 3.668 3.960 -0.002 0.000 0.233 534 G HA3 -0.291 3.668 3.960 -0.002 0.000 0.233 534 G C 0.933 175.759 174.900 -0.123 0.000 1.006 534 G CA 0.218 45.271 45.100 -0.079 0.000 0.620 534 G HN 0.393 nan 8.290 nan 0.000 0.511 535 V N 0.107 119.948 119.914 -0.121 0.000 2.239 535 V HA 0.320 4.439 4.120 -0.002 0.000 0.242 535 V C 1.288 177.176 176.094 -0.344 0.000 1.038 535 V CA 1.831 64.001 62.300 -0.216 0.000 1.002 535 V CB -0.415 31.325 31.823 -0.137 0.000 0.641 535 V HN 0.258 nan 8.190 nan 0.000 0.449 536 F N 0.181 120.149 119.950 0.031 0.000 2.480 536 F HA 0.475 5.001 4.527 -0.002 0.000 0.329 536 F C 0.830 176.599 175.800 -0.051 0.000 1.091 536 F CA -0.753 57.246 58.000 -0.002 0.000 0.972 536 F CB 1.322 40.376 39.000 0.089 0.000 1.150 536 F HN 0.033 nan 8.300 nan 0.000 0.467 537 T N -1.561 113.024 114.554 0.053 0.000 2.802 537 T HA 0.032 4.381 4.350 -0.002 0.000 0.305 537 T C 1.058 175.772 174.700 0.024 0.000 1.053 537 T CA -0.400 61.696 62.100 -0.006 0.000 1.058 537 T CB 0.976 69.801 68.868 -0.071 0.000 0.988 537 T HN 0.822 nan 8.240 nan 0.000 0.539 538 E N 0.254 120.464 120.200 0.016 0.000 2.153 538 E HA -0.162 4.187 4.350 -0.002 0.000 0.194 538 E C 1.867 178.483 176.600 0.027 0.000 0.988 538 E CA 0.889 57.307 56.400 0.031 0.000 0.811 538 E CB 0.022 29.736 29.700 0.022 0.000 0.746 538 E HN 0.500 nan 8.360 nan 0.000 0.466 539 K N 0.415 120.813 120.400 -0.003 0.000 2.097 539 K HA -0.114 4.205 4.320 -0.002 0.000 0.205 539 K C 2.156 178.740 176.600 -0.026 0.000 1.050 539 K CA 0.952 57.234 56.287 -0.008 0.000 0.938 539 K CB -0.161 32.325 32.500 -0.022 0.000 0.718 539 K HN 0.269 nan 8.250 nan 0.000 0.442 540 Q N 0.011 119.743 119.800 -0.114 0.000 2.119 540 Q HA -0.083 4.256 4.340 -0.002 0.000 0.201 540 Q C 2.181 178.176 176.000 -0.008 0.000 0.972 540 Q CA 1.135 56.793 55.803 -0.243 0.000 0.847 540 Q CB -0.029 28.401 28.738 -0.513 0.000 0.903 540 Q HN 0.217 nan 8.270 nan 0.000 0.433 541 R N 0.537 121.085 120.500 0.080 0.000 2.081 541 R HA -0.131 4.208 4.340 -0.002 0.000 0.235 541 R C 1.713 178.120 176.300 0.179 0.000 1.131 541 R CA 1.315 57.535 56.100 0.200 0.000 0.960 541 R CB -0.114 30.328 30.300 0.237 0.000 0.856 541 R HN 0.311 nan 8.270 nan 0.000 0.436 542 D N 0.083 120.554 120.400 0.119 0.000 2.123 542 D HA -0.103 4.536 4.640 -0.002 0.000 0.196 542 D C 1.841 178.190 176.300 0.081 0.000 0.992 542 D CA 1.389 55.448 54.000 0.098 0.000 0.833 542 D CB -0.057 40.787 40.800 0.073 0.000 0.954 542 D HN 0.080 nan 8.370 nan 0.000 0.455 543 S N 0.215 115.973 115.700 0.096 0.000 2.406 543 S HA -0.002 4.467 4.470 -0.002 0.000 0.228 543 S C 2.164 176.799 174.600 0.059 0.000 1.020 543 S CA 0.269 58.533 58.200 0.108 0.000 0.965 543 S CB 0.033 63.361 63.200 0.214 0.000 0.798 543 S HN 0.219 nan 8.310 nan 0.000 0.488 544 L N 1.119 122.359 121.223 0.029 0.000 2.240 544 L HA 0.005 4.343 4.340 -0.002 0.000 0.211 544 L C 2.378 179.098 176.870 -0.250 0.000 1.106 544 L CA 0.800 55.553 54.840 -0.146 0.000 0.793 544 L CB -0.326 41.550 42.059 -0.305 0.000 0.927 544 L HN 0.292 nan 8.230 nan 0.000 0.446 545 Q N -0.184 119.539 119.800 -0.127 0.000 2.500 545 Q HA -0.148 4.191 4.340 -0.002 0.000 0.213 545 Q C 1.445 177.412 176.000 -0.054 0.000 0.974 545 Q CA 0.894 56.646 55.803 -0.085 0.000 0.918 545 Q CB 0.189 28.982 28.738 0.092 0.000 0.980 545 Q HN 0.391 nan 8.270 nan 0.000 0.505 546 K N 0.062 120.434 120.400 -0.047 0.000 2.358 546 K HA 0.088 4.407 4.320 -0.002 0.000 0.200 546 K C 0.062 176.644 176.600 -0.031 0.000 1.030 546 K CA -0.113 56.159 56.287 -0.025 0.000 1.097 546 K CB 0.991 33.487 32.500 -0.006 0.000 0.862 546 K HN 0.033 nan 8.250 nan 0.000 0.534 547 V N 0.411 120.300 119.914 -0.042 0.000 2.811 547 V HA 0.252 4.370 4.120 -0.002 0.000 0.302 547 V C 0.038 176.150 176.094 0.031 0.000 1.063 547 V CA -0.614 61.695 62.300 0.016 0.000 1.088 547 V CB 1.202 33.094 31.823 0.115 0.000 0.982 547 V HN 0.177 nan 8.190 nan 0.000 0.485 548 S N 2.735 118.482 115.700 0.079 0.000 2.627 548 S HA 0.591 5.060 4.470 -0.002 0.000 0.283 548 S C -0.004 174.703 174.600 0.177 0.000 1.127 548 S CA -0.522 57.729 58.200 0.086 0.000 0.863 548 S CB 1.519 64.734 63.200 0.025 0.000 1.121 548 S HN 0.746 nan 8.310 nan 0.000 0.479 549 F N 1.814 121.783 119.950 0.030 0.000 2.234 549 F HA -0.035 4.491 4.527 -0.002 0.000 0.299 549 F C 2.410 178.199 175.800 -0.018 0.000 1.087 549 F CA 1.787 59.797 58.000 0.018 0.000 1.340 549 F CB -0.369 38.528 39.000 -0.172 0.000 1.031 549 F HN 0.645 nan 8.300 nan 0.000 0.500 550 S N 0.327 116.086 115.700 0.098 0.000 2.359 550 S HA -0.218 4.250 4.470 -0.002 0.000 0.224 550 S C 2.131 176.691 174.600 -0.067 0.000 1.035 550 S CA 1.098 59.306 58.200 0.013 0.000 1.018 550 S CB -0.382 62.806 63.200 -0.019 0.000 0.876 550 S HN 0.333 nan 8.310 nan 0.000 0.448 551 R N 0.594 121.047 120.500 -0.078 0.000 2.091 551 R HA -0.049 4.290 4.340 -0.002 0.000 0.238 551 R C 2.365 178.544 176.300 -0.202 0.000 1.136 551 R CA 1.035 57.066 56.100 -0.116 0.000 0.959 551 R CB -1.058 29.183 30.300 -0.098 0.000 0.856 551 R HN 0.367 nan 8.270 nan 0.000 0.437 552 L N 1.226 122.268 121.223 -0.300 0.000 2.021 552 L HA -0.222 4.117 4.340 -0.002 0.000 0.215 552 L C 2.206 178.854 176.870 -0.369 0.000 1.074 552 L CA 1.760 56.325 54.840 -0.459 0.000 0.760 552 L CB -0.375 41.253 42.059 -0.719 0.000 0.889 552 L HN 0.132 nan 8.230 nan 0.000 0.433 553 I N -1.729 118.645 120.570 -0.328 0.000 2.179 553 I HA -0.375 3.794 4.170 -0.002 0.000 0.242 553 I C 2.489 178.534 176.117 -0.120 0.000 1.088 553 I CA 1.490 62.684 61.300 -0.176 0.000 1.357 553 I CB -0.494 37.475 38.000 -0.051 0.000 1.051 553 I HN 0.386 nan 8.210 nan 0.000 0.409 554 c N 0.473 119.012 118.600 -0.103 0.000 2.435 554 c HA -0.132 4.437 4.570 -0.002 0.000 0.279 554 c C 2.401 176.430 174.090 -0.103 0.000 1.321 554 c CA 0.724 57.010 56.329 -0.071 0.000 1.752 554 c CB -0.989 41.491 42.510 -0.049 0.000 1.959 554 c HN 0.524 nan 8.230 nan 0.000 0.500 555 D N 0.740 121.055 120.400 -0.142 0.000 2.120 555 D HA -0.028 4.611 4.640 -0.002 0.000 0.202 555 D C 0.866 177.063 176.300 -0.173 0.000 0.972 555 D CA 1.028 54.938 54.000 -0.150 0.000 0.837 555 D CB -0.496 40.202 40.800 -0.170 0.000 0.989 555 D HN 0.708 nan 8.370 nan 0.000 0.469 556 N N 0.451 119.036 118.700 -0.192 0.000 2.806 556 N HA 0.153 4.892 4.740 -0.002 0.000 0.315 556 N C -0.485 174.905 175.510 -0.200 0.000 1.738 556 N CA -0.132 52.799 53.050 -0.199 0.000 0.993 556 N CB 1.160 39.537 38.487 -0.183 0.000 1.324 556 N HN -0.142 nan 8.380 nan 0.000 0.493 557 T N -1.003 113.408 114.554 -0.238 0.000 2.637 557 T HA 0.229 4.578 4.350 -0.002 0.000 0.303 557 T C -0.851 173.643 174.700 -0.344 0.000 1.288 557 T CA -0.474 61.503 62.100 -0.205 0.000 1.040 557 T CB 1.353 70.166 68.868 -0.092 0.000 1.644 557 T HN 0.347 nan 8.240 nan 0.000 0.480 558 H N -0.478 118.594 119.070 0.003 0.000 2.549 558 H HA 0.516 5.071 4.556 -0.002 0.000 0.253 558 H C -0.498 174.833 175.328 0.006 0.000 1.170 558 H CA -0.134 55.914 56.048 -0.000 0.000 0.943 558 H CB 0.065 29.820 29.762 -0.011 0.000 1.849 558 H HN 0.212 nan 8.280 nan 0.000 0.603 559 I N 1.175 121.801 120.570 0.093 0.000 2.365 559 I HA 0.073 4.242 4.170 -0.002 0.000 0.291 559 I C 1.307 177.499 176.117 0.125 0.000 1.004 559 I CA 0.008 61.377 61.300 0.115 0.000 1.311 559 I CB 1.736 39.811 38.000 0.125 0.000 1.401 559 I HN 0.332 nan 8.210 nan 0.000 0.491 560 T N 1.131 115.778 114.554 0.156 0.000 2.990 560 T HA 0.237 4.586 4.350 -0.002 0.000 0.249 560 T C 0.611 175.407 174.700 0.161 0.000 1.039 560 T CA -0.062 62.117 62.100 0.132 0.000 1.036 560 T CB 0.128 69.065 68.868 0.114 0.000 0.994 560 T HN 0.380 nan 8.240 nan 0.000 0.489 561 K N 2.118 122.669 120.400 0.253 0.000 2.307 561 K HA 0.650 4.969 4.320 -0.002 0.000 0.263 561 K C -1.007 175.849 176.600 0.426 0.000 0.973 561 K CA -0.810 55.658 56.287 0.303 0.000 0.846 561 K CB 2.432 35.141 32.500 0.348 0.000 1.100 561 K HN 0.270 nan 8.250 nan 0.000 0.438 562 V N -0.035 120.040 119.914 0.267 0.000 3.007 562 V HA 0.656 4.775 4.120 -0.002 0.000 0.311 562 V C -2.800 173.152 176.094 -0.237 0.000 1.120 562 V CA -2.749 59.620 62.300 0.115 0.000 0.980 562 V CB 1.887 33.751 31.823 0.069 0.000 1.033 562 V HN 0.548 nan 8.190 nan 0.000 0.429 563 P HA 0.413 nan 4.420 nan 0.000 0.276 563 P C 0.665 177.800 177.300 -0.276 0.000 1.244 563 P CA -0.433 62.341 63.100 -0.543 0.000 0.801 563 P CB 1.734 33.049 31.700 -0.641 0.000 1.006 564 L N 0.519 121.589 121.223 -0.255 0.000 2.044 564 L HA -0.036 4.303 4.340 -0.002 0.000 0.205 564 L C 1.194 177.819 176.870 -0.409 0.000 1.075 564 L CA 1.179 55.822 54.840 -0.329 0.000 0.747 564 L CB -0.634 41.185 42.059 -0.400 0.000 0.903 564 L HN 0.428 nan 8.230 nan 0.000 0.435 565 H N -0.225 118.810 119.070 -0.058 0.000 2.690 565 H HA 0.300 4.855 4.556 -0.002 0.000 0.280 565 H C 0.596 175.918 175.328 -0.010 0.000 1.138 565 H CA -0.022 56.031 56.048 0.009 0.000 1.241 565 H CB 1.261 31.033 29.762 0.017 0.000 1.394 565 H HN 0.108 nan 8.280 nan 0.000 0.489 566 A N 2.622 125.475 122.820 0.056 0.000 2.235 566 A HA -0.006 4.313 4.320 -0.002 0.000 0.208 566 A C 1.056 178.492 177.584 -0.247 0.000 1.172 566 A CA 0.519 52.478 52.037 -0.130 0.000 0.786 566 A CB -0.448 18.439 19.000 -0.187 0.000 0.804 566 A HN 0.458 nan 8.150 nan 0.000 0.479 567 F N 0.005 119.968 119.950 0.022 0.000 2.678 567 F HA 0.110 4.636 4.527 -0.002 0.000 0.291 567 F C 1.509 177.320 175.800 0.019 0.000 1.123 567 F CA 0.104 58.136 58.000 0.055 0.000 1.395 567 F CB 0.178 39.239 39.000 0.101 0.000 1.121 567 F HN 0.342 nan 8.300 nan 0.000 0.592 568 Q N 1.118 121.008 119.800 0.150 0.000 2.256 568 Q HA 0.638 4.976 4.340 -0.002 0.000 0.232 568 Q C -0.198 175.824 176.000 0.037 0.000 0.965 568 Q CA -0.923 54.908 55.803 0.047 0.000 0.908 568 Q CB 1.302 30.046 28.738 0.011 0.000 1.209 568 Q HN 0.071 nan 8.270 nan 0.000 0.489 569 A N 2.108 124.945 122.820 0.028 0.000 2.492 569 A HA 0.222 4.540 4.320 -0.002 0.000 0.254 569 A C -0.784 176.839 177.584 0.064 0.000 1.091 569 A CA -0.181 51.888 52.037 0.054 0.000 0.768 569 A CB -0.555 18.475 19.000 0.051 0.000 1.028 569 A HN 0.805 nan 8.150 nan 0.000 0.498 570 N N 1.773 120.533 118.700 0.100 0.000 2.240 570 N HA 0.423 5.162 4.740 -0.002 0.000 0.302 570 N C -1.336 174.354 175.510 0.300 0.000 1.106 570 N CA -0.809 52.316 53.050 0.126 0.000 0.778 570 N CB 1.690 40.136 38.487 -0.068 0.000 1.431 570 N HN 0.696 nan 8.380 nan 0.000 0.479 571 N N 0.981 119.880 118.700 0.331 0.000 2.284 571 N HA 0.181 4.920 4.740 -0.002 0.000 0.300 571 N C -1.547 174.192 175.510 0.381 0.000 1.047 571 N CA -0.393 52.851 53.050 0.323 0.000 0.821 571 N CB 2.055 40.662 38.487 0.200 0.000 1.337 571 N HN 0.487 nan 8.380 nan 0.000 0.482 572 Y N 2.998 123.308 120.300 0.016 0.000 2.304 572 Y HA 0.312 4.860 4.550 -0.002 0.000 0.328 572 Y C -1.249 174.617 175.900 -0.057 0.000 1.123 572 Y CA -1.020 56.924 58.100 -0.260 0.000 1.218 572 Y CB 1.017 39.060 38.460 -0.695 0.000 1.207 572 Y HN 0.471 nan 8.280 nan 0.000 0.495 573 P HA 0.036 nan 4.420 nan 0.000 0.274 573 P C 0.826 177.973 177.300 -0.255 0.000 1.352 573 P CA 0.582 63.106 63.100 -0.961 0.000 0.947 573 P CB 0.061 31.112 31.700 -1.082 0.000 1.437 574 H N 1.386 120.388 119.070 -0.114 0.000 2.293 574 H HA -0.077 4.478 4.556 -0.002 0.000 0.300 574 H C 0.476 175.806 175.328 0.003 0.000 1.082 574 H CA 1.513 57.536 56.048 -0.041 0.000 1.308 574 H CB 0.147 29.902 29.762 -0.012 0.000 1.375 574 H HN -0.036 nan 8.280 nan 0.000 0.495 575 D N -0.117 120.259 120.400 -0.040 0.000 2.349 575 D HA -0.000 4.639 4.640 -0.002 0.000 0.224 575 D C -0.407 175.753 176.300 -0.233 0.000 1.029 575 D CA 0.252 54.150 54.000 -0.169 0.000 0.879 575 D CB -0.178 40.582 40.800 -0.066 0.000 0.906 575 D HN 0.128 nan 8.370 nan 0.000 0.528 576 F N 1.069 120.895 119.950 -0.207 0.000 2.404 576 F HA 0.223 4.749 4.527 -0.002 0.000 0.354 576 F C 0.662 176.362 175.800 -0.166 0.000 1.122 576 F CA -1.095 56.799 58.000 -0.176 0.000 1.080 576 F CB 1.308 40.183 39.000 -0.208 0.000 1.131 576 F HN -0.311 nan 8.300 nan 0.000 0.471 577 V N -0.282 119.629 119.914 -0.005 0.000 3.103 577 V HA 0.584 4.703 4.120 -0.002 0.000 0.318 577 V C -0.503 175.610 176.094 0.032 0.000 1.114 577 V CA -1.040 61.252 62.300 -0.014 0.000 1.020 577 V CB 1.781 33.568 31.823 -0.059 0.000 1.085 577 V HN 0.600 nan 8.190 nan 0.000 0.446 578 D N 0.391 120.805 120.400 0.023 0.000 2.382 578 D HA 0.179 4.817 4.640 -0.002 0.000 0.240 578 D C 1.040 177.352 176.300 0.019 0.000 1.146 578 D CA 0.352 54.374 54.000 0.037 0.000 0.897 578 D CB 1.234 42.050 40.800 0.026 0.000 1.197 578 D HN 0.725 nan 8.370 nan 0.000 0.432 579 c N 1.062 119.678 118.600 0.027 0.000 2.403 579 c HA -0.163 4.406 4.570 -0.002 0.000 0.282 579 c C 2.716 176.800 174.090 -0.010 0.000 1.297 579 c CA 1.170 57.502 56.329 0.005 0.000 1.785 579 c CB -1.575 40.939 42.510 0.007 0.000 1.963 579 c HN 0.783 nan 8.230 nan 0.000 0.507 580 S N 1.473 117.170 115.700 -0.004 0.000 2.442 580 S HA -0.064 4.405 4.470 -0.002 0.000 0.236 580 S C 1.690 176.280 174.600 -0.017 0.000 1.007 580 S CA 1.314 59.508 58.200 -0.010 0.000 0.965 580 S CB -0.375 62.823 63.200 -0.003 0.000 0.773 580 S HN 0.663 nan 8.310 nan 0.000 0.504 581 A N 0.635 123.443 122.820 -0.021 0.000 2.251 581 A HA 0.525 4.844 4.320 -0.002 0.000 0.209 581 A C 0.594 178.153 177.584 -0.042 0.000 1.187 581 A CA -0.117 51.901 52.037 -0.031 0.000 0.823 581 A CB -0.085 18.893 19.000 -0.036 0.000 0.846 581 A HN 0.381 nan 8.150 nan 0.000 0.486 582 V N 1.885 121.774 119.914 -0.042 0.000 2.394 582 V HA 0.174 4.293 4.120 -0.002 0.000 0.282 582 V C -0.744 175.323 176.094 -0.043 0.000 1.031 582 V CA -1.097 61.173 62.300 -0.051 0.000 0.881 582 V CB 1.242 33.033 31.823 -0.053 0.000 0.982 582 V HN 0.287 nan 8.190 nan 0.000 0.451 583 D N 4.468 124.843 120.400 -0.043 0.000 2.493 583 D HA 0.127 4.765 4.640 -0.002 0.000 0.240 583 D C 0.289 176.566 176.300 -0.039 0.000 1.142 583 D CA 0.450 54.430 54.000 -0.034 0.000 0.872 583 D CB 0.739 41.523 40.800 -0.027 0.000 1.173 583 D HN 0.446 nan 8.370 nan 0.000 0.467 584 K N 1.092 121.469 120.400 -0.037 0.000 2.098 584 K HA 0.303 4.622 4.320 -0.002 0.000 0.257 584 K C -0.032 176.540 176.600 -0.047 0.000 0.999 584 K CA -1.037 55.220 56.287 -0.049 0.000 0.924 584 K CB 1.162 33.633 32.500 -0.048 0.000 1.028 584 K HN 0.226 nan 8.250 nan 0.000 0.466 585 L N 2.009 123.189 121.223 -0.071 0.000 2.369 585 L HA 0.091 4.429 4.340 -0.002 0.000 0.279 585 L C -0.597 176.241 176.870 -0.054 0.000 1.108 585 L CA 0.221 55.018 54.840 -0.072 0.000 0.852 585 L CB 0.246 42.226 42.059 -0.132 0.000 1.169 585 L HN 0.415 nan 8.230 nan 0.000 0.452 586 D N 4.412 124.812 120.400 -0.000 0.000 2.347 586 D HA 0.180 4.819 4.640 -0.002 0.000 0.235 586 D C 0.418 176.771 176.300 0.088 0.000 1.149 586 D CA 0.087 54.105 54.000 0.030 0.000 0.850 586 D CB 0.651 41.481 40.800 0.050 0.000 1.061 586 D HN 0.630 nan 8.370 nan 0.000 0.487 587 L N 3.082 124.326 121.223 0.035 0.000 2.779 587 L HA 0.083 4.422 4.340 -0.002 0.000 0.239 587 L C 1.579 178.570 176.870 0.202 0.000 1.245 587 L CA -0.094 54.796 54.840 0.084 0.000 1.064 587 L CB -0.216 41.773 42.059 -0.117 0.000 1.350 587 L HN 0.341 nan 8.230 nan 0.000 0.455 588 S N 1.184 116.994 115.700 0.184 0.000 2.355 588 S HA -0.052 4.417 4.470 -0.002 0.000 0.222 588 S C -0.636 174.071 174.600 0.179 0.000 1.031 588 S CA 1.074 59.357 58.200 0.139 0.000 0.993 588 S CB -0.787 62.465 63.200 0.088 0.000 0.859 588 S HN 0.387 nan 8.310 nan 0.000 0.453 589 P HA 0.022 nan 4.420 nan 0.000 0.242 589 P C 0.462 177.770 177.300 0.013 0.000 1.197 589 P CA 0.529 63.665 63.100 0.060 0.000 0.765 589 P CB -0.123 31.542 31.700 -0.058 0.000 0.936 590 W N -0.024 121.319 121.300 0.072 0.000 3.197 590 W HA 0.368 5.027 4.660 -0.002 0.000 0.274 590 W C 0.506 177.030 176.519 0.008 0.000 1.297 590 W CA -0.352 57.058 57.345 0.108 0.000 1.662 590 W CB 0.050 29.575 29.460 0.108 0.000 1.106 590 W HN -0.127 nan 8.180 nan 0.000 0.663 591 A N 1.333 124.240 122.820 0.145 0.000 2.492 591 A HA 0.288 4.607 4.320 -0.002 0.000 0.254 591 A C 0.060 177.680 177.584 0.060 0.000 1.091 591 A CA 0.656 52.706 52.037 0.021 0.000 0.768 591 A CB 0.394 19.406 19.000 0.020 0.000 1.028 591 A HN -0.044 nan 8.150 nan 0.000 0.498 592 S N 1.369 117.104 115.700 0.058 0.000 2.733 592 S HA 0.573 5.042 4.470 -0.002 0.000 0.294 592 S C -0.312 174.401 174.600 0.189 0.000 1.149 592 S CA -0.643 57.671 58.200 0.190 0.000 1.034 592 S CB 0.597 64.049 63.200 0.420 0.000 1.015 592 S HN 0.844 nan 8.310 nan 0.000 0.486 593 R N 2.128 122.684 120.500 0.094 0.000 2.691 593 R HA 0.553 4.892 4.340 -0.002 0.000 0.259 593 R C 1.083 177.370 176.300 -0.022 0.000 1.048 593 R CA -0.406 55.696 56.100 0.004 0.000 1.086 593 R CB 0.380 30.677 30.300 -0.005 0.000 1.166 593 R HN 0.507 nan 8.270 nan 0.000 0.526 594 E N 0.604 120.746 120.200 -0.096 0.000 2.004 594 E HA -0.020 4.329 4.350 -0.002 0.000 0.192 594 E C 0.154 176.741 176.600 -0.022 0.000 0.987 594 E CA 1.142 57.496 56.400 -0.077 0.000 0.822 594 E CB -0.409 29.224 29.700 -0.112 0.000 0.779 594 E HN 0.464 nan 8.360 nan 0.000 0.458 595 N N 0.000 118.687 118.700 -0.021 0.000 1.763 595 N HA 0.000 4.739 4.740 -0.002 0.000 0.220 595 N CA 0.000 53.046 53.050 -0.007 0.000 0.885 595 N CB 0.000 38.482 38.487 -0.008 0.000 1.341 595 N HN 0.000 nan 8.380 nan 0.000 0.667