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 2ikc_1_B DATA FIRST_RESID 1 DATA SEQUENCE SWEVGcGAPV PLVKcDENSP YRTITGDcNN RRSPALGAAN RALARWLPAE DATA SEQUENCE YEDGLAVPFG WTQRKTRNGF RVPLAREVSN KIVGYLDEEG VLDQNRSLLF DATA SEQUENCE MQWGQIVDHD LDFAPETELG SSEHSKVQcE EYcIQGDNcF PIMFPKNDPK DATA SEQUENCE LKTQGKcMPF FRAGFVcPTP PYQSLARDQI NSVTSFLDAS LVYGSEPSLA DATA SEQUENCE SRLRNLSSPL GLMAVNQEAW DHGLAYPPFN NMKPSPcEFI NTTARVPcFQ DATA SEQUENCE AGDSRASEQI LLATVHTLLL REHNRLAREL KRLNPHWDGE KLYQEARKIL DATA SEQUENCE GAFIQIITFR DYLPIVLGSE MQKWIPRYQG YNNSVDPRIS NVFTFAFRFG DATA SEQUENCE HMEVPSTVSR LDENYQPRGP EAELPLHTLF FNTWRIIKDG GIDPLVRGLL DATA SEQUENCE AKKSKLMNQN KMVTSELRNK LFQPTHKIHG FDLAAINLQR CRDHGMPGYN DATA SEQUENCE SWRGFcGLSQ PKTLKGLQAV LKNKILAKKL LDLYKTPDNI DIWIGGNAEP DATA SEQUENCE MVERGRVGPL LAcLLGRQFQ QIRDGDRFWW ENPGVFTEKQ RDSLQKVSFS DATA SEQUENCE RLIcDNTHIT KVPLHAFQAN NYPHDFVDcS AIDKLDLSPW 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 0.000 174.630 174.600 0.050 0.000 1.055 1 S CA 0.000 58.275 58.200 0.125 0.000 1.107 1 S CB 0.000 63.260 63.200 0.099 0.000 0.593 2 W N 2.656 123.967 121.300 0.018 0.000 2.317 2 W HA 0.319 4.979 4.660 0.000 0.000 0.290 2 W C 0.519 177.049 176.519 0.020 0.000 0.937 2 W CA -0.274 57.084 57.345 0.021 0.000 1.790 2 W CB 1.000 30.473 29.460 0.022 0.000 1.847 2 W HN 0.833 nan 8.180 nan 0.000 0.411 3 E N 2.195 122.478 120.200 0.138 0.000 2.330 3 E HA -0.011 4.340 4.350 0.001 0.000 0.210 3 E C 0.857 177.520 176.600 0.106 0.000 1.256 3 E CA -0.044 56.417 56.400 0.101 0.000 1.346 3 E CB 0.142 29.871 29.700 0.049 0.000 1.308 3 E HN 0.229 nan 8.360 nan 0.000 0.441 4 V N -0.258 119.761 119.914 0.176 0.000 2.462 4 V HA -0.001 4.119 4.120 0.001 0.000 0.233 4 V C 1.466 177.627 176.094 0.113 0.000 1.188 4 V CA 0.371 62.772 62.300 0.168 0.000 1.326 4 V CB -0.721 31.259 31.823 0.263 0.000 1.325 4 V HN 0.314 nan 8.190 nan 0.000 0.485 5 G N 4.065 112.915 108.800 0.083 0.000 2.896 5 G HA2 -0.317 3.644 3.960 0.001 0.000 0.225 5 G HA3 -0.317 3.644 3.960 0.001 0.000 0.225 5 G C 0.764 175.701 174.900 0.063 0.000 1.265 5 G CA 1.663 46.802 45.100 0.064 0.000 0.778 5 G HN 1.536 nan 8.290 nan 0.000 0.714 6 c N -2.917 115.723 118.600 0.066 0.000 2.973 6 c HA 0.942 5.512 4.570 0.001 0.000 0.329 6 c C 1.438 175.564 174.090 0.060 0.000 1.327 6 c CA 0.203 56.568 56.329 0.059 0.000 1.632 6 c CB 1.460 44.005 42.510 0.058 0.000 2.098 6 c HN 0.720 nan 8.230 nan 0.000 0.469 7 G N 0.378 109.207 108.800 0.048 0.000 2.680 7 G HA2 0.675 4.636 3.960 0.001 0.000 0.224 7 G HA3 0.675 4.636 3.960 0.001 0.000 0.224 7 G C 0.189 175.113 174.900 0.040 0.000 1.454 7 G CA 0.546 45.674 45.100 0.045 0.000 0.900 7 G HN 2.302 nan 8.290 nan 0.000 0.570 8 A N -1.064 121.772 122.820 0.026 0.000 2.598 8 A HA 0.504 4.824 4.320 0.001 0.000 0.302 8 A C -1.980 175.610 177.584 0.010 0.000 0.955 8 A CA 0.125 52.173 52.037 0.019 0.000 0.734 8 A CB -0.302 18.716 19.000 0.030 0.000 1.192 8 A HN 0.321 nan 8.150 nan 0.000 0.391 9 P HA 0.367 nan 4.420 nan 0.000 0.203 9 P C 0.776 178.081 177.300 0.007 0.000 1.211 9 P CA 1.881 64.979 63.100 -0.004 0.000 0.913 9 P CB -0.667 31.023 31.700 -0.016 0.000 0.745 10 V N -3.995 115.924 119.914 0.009 0.000 3.541 10 V HA -0.075 4.045 4.120 0.001 0.000 0.501 10 V C -2.887 173.220 176.094 0.022 0.000 0.682 10 V CA -1.197 61.115 62.300 0.020 0.000 2.045 10 V CB -2.840 29.001 31.823 0.030 0.000 2.474 10 V HN 0.202 nan 8.190 nan 0.000 0.507 11 P HA 0.318 nan 4.420 nan 0.000 0.256 11 P C 0.136 177.455 177.300 0.031 0.000 1.189 11 P CA 0.216 63.332 63.100 0.026 0.000 0.808 11 P CB 0.438 32.156 31.700 0.029 0.000 0.793 12 L N 5.973 127.213 121.223 0.028 0.000 2.385 12 L HA 0.188 4.528 4.340 0.001 0.000 0.285 12 L C 0.017 176.906 176.870 0.032 0.000 1.125 12 L CA -0.510 54.348 54.840 0.031 0.000 0.890 12 L CB 0.067 42.142 42.059 0.026 0.000 1.251 12 L HN 0.078 nan 8.230 nan 0.000 0.445 13 V N 2.592 122.529 119.914 0.038 0.000 2.863 13 V HA 0.431 4.551 4.120 0.001 0.000 0.307 13 V C 0.638 176.755 176.094 0.039 0.000 1.061 13 V CA -0.478 61.845 62.300 0.038 0.000 1.024 13 V CB 1.309 33.157 31.823 0.043 0.000 1.049 13 V HN 0.850 nan 8.190 nan 0.000 0.471 14 K N -0.006 120.415 120.400 0.036 0.000 2.414 14 K HA 0.483 4.804 4.320 0.001 0.000 0.204 14 K C -0.057 176.566 176.600 0.039 0.000 1.026 14 K CA -0.054 56.255 56.287 0.035 0.000 1.108 14 K CB -0.256 32.261 32.500 0.028 0.000 0.855 14 K HN 0.743 nan 8.250 nan 0.000 0.517 15 c N 0.498 119.124 118.600 0.043 0.000 0.168 15 c HA -0.185 4.385 4.570 0.001 0.000 0.017 15 c C 1.009 175.124 174.090 0.042 0.000 0.171 15 c CA 0.581 56.938 56.329 0.048 0.000 0.499 15 c CB -1.190 41.352 42.510 0.053 0.000 3.212 15 c HN 0.883 nan 8.230 nan 0.000 1.118 16 D N -0.720 119.706 120.400 0.045 0.000 2.799 16 D HA 0.405 5.045 4.640 0.001 0.000 0.267 16 D C 1.251 177.571 176.300 0.033 0.000 1.468 16 D CA 1.870 55.892 54.000 0.038 0.000 1.077 16 D CB 0.180 41.005 40.800 0.042 0.000 1.065 16 D HN 0.813 nan 8.370 nan 0.000 0.359 17 E N -1.355 118.864 120.200 0.032 0.000 2.095 17 E HA 0.031 4.381 4.350 0.001 0.000 0.280 17 E C 0.511 177.116 176.600 0.009 0.000 1.061 17 E CA 0.469 56.883 56.400 0.023 0.000 2.079 17 E CB -1.290 28.420 29.700 0.016 0.000 2.897 17 E HN 0.171 nan 8.360 nan 0.000 1.111 18 N N 0.264 118.962 118.700 -0.004 0.000 2.424 18 N HA 0.105 4.845 4.740 0.001 0.000 0.178 18 N C -0.171 175.310 175.510 -0.047 0.000 1.060 18 N CA 0.595 53.627 53.050 -0.029 0.000 0.901 18 N CB 0.369 38.839 38.487 -0.030 0.000 0.979 18 N HN 0.121 nan 8.380 nan 0.000 0.451 19 S N 1.305 116.991 115.700 -0.023 0.000 2.715 19 S HA -0.032 4.438 4.470 0.001 0.000 0.318 19 S C -1.923 172.615 174.600 -0.103 0.000 1.242 19 S CA -0.860 57.311 58.200 -0.048 0.000 1.044 19 S CB 0.571 63.792 63.200 0.035 0.000 0.760 19 S HN 0.109 nan 8.310 nan 0.000 0.501 20 P HA 0.224 nan 4.420 nan 0.000 0.255 20 P C -1.149 175.892 177.300 -0.432 0.000 1.301 20 P CA 0.317 63.151 63.100 -0.444 0.000 0.817 20 P CB 0.014 31.301 31.700 -0.687 0.000 1.259 21 Y N -0.718 119.645 120.300 0.104 0.000 2.524 21 Y HA 0.460 5.010 4.550 0.001 0.000 0.344 21 Y C 1.029 176.736 175.900 -0.321 0.000 1.012 21 Y CA -1.568 56.481 58.100 -0.085 0.000 1.068 21 Y CB 1.280 39.668 38.460 -0.120 0.000 1.249 21 Y HN -0.359 nan 8.280 nan 0.000 0.468 22 R N 0.681 120.920 120.500 -0.435 0.000 2.490 22 R HA 0.316 4.657 4.340 0.001 0.000 0.280 22 R C 0.245 176.386 176.300 -0.266 0.000 1.077 22 R CA -0.291 55.422 56.100 -0.645 0.000 1.065 22 R CB 0.672 30.598 30.300 -0.624 0.000 1.003 22 R HN 0.831 nan 8.270 nan 0.000 0.470 23 T N -0.355 114.084 114.554 -0.192 0.000 2.849 23 T HA 0.158 4.508 4.350 0.001 0.000 0.284 23 T C 1.577 176.253 174.700 -0.041 0.000 1.004 23 T CA -0.896 61.165 62.100 -0.065 0.000 1.021 23 T CB 0.706 69.565 68.868 -0.014 0.000 1.013 23 T HN 0.276 nan 8.240 nan 0.000 0.527 24 I N 1.445 122.022 120.570 0.012 0.000 2.162 24 I HA -0.098 4.072 4.170 0.001 0.000 0.238 24 I C 2.992 179.152 176.117 0.072 0.000 1.076 24 I CA 1.888 63.218 61.300 0.050 0.000 1.353 24 I CB -1.857 36.186 38.000 0.072 0.000 1.063 24 I HN 0.990 nan 8.210 nan 0.000 0.408 25 T N -0.003 114.592 114.554 0.068 0.000 2.760 25 T HA -0.184 4.166 4.350 0.001 0.000 0.269 25 T C 1.533 176.302 174.700 0.114 0.000 1.047 25 T CA 2.487 64.638 62.100 0.083 0.000 1.139 25 T CB -0.332 68.578 68.868 0.070 0.000 0.855 25 T HN 0.682 nan 8.240 nan 0.000 0.471 26 G N 0.316 109.180 108.800 0.106 0.000 2.201 26 G HA2 -0.150 3.810 3.960 0.001 0.000 0.212 26 G HA3 -0.150 3.810 3.960 0.001 0.000 0.212 26 G C -0.117 174.887 174.900 0.173 0.000 0.994 26 G CA 0.167 45.370 45.100 0.171 0.000 0.644 26 G HN 0.591 nan 8.290 nan 0.000 0.508 27 D N -0.529 119.945 120.400 0.123 0.000 2.354 27 D HA 0.320 4.960 4.640 0.001 0.000 0.238 27 D C 1.652 178.010 176.300 0.098 0.000 1.250 27 D CA 1.110 55.183 54.000 0.121 0.000 0.911 27 D CB 0.779 41.635 40.800 0.093 0.000 1.163 27 D HN 0.771 nan 8.370 nan 0.000 0.456 28 c N -0.008 118.661 118.600 0.115 0.000 4.663 28 c HA -0.197 4.373 4.570 0.001 0.000 0.272 28 c C 2.050 176.220 174.090 0.134 0.000 1.566 28 c CA 0.308 56.705 56.329 0.113 0.000 1.735 28 c CB -2.518 40.047 42.510 0.091 0.000 1.857 28 c HN 0.796 nan 8.230 nan 0.000 0.674 29 N N 2.031 120.806 118.700 0.124 0.000 2.192 29 N HA -0.155 4.585 4.740 0.001 0.000 0.188 29 N C 0.297 175.908 175.510 0.169 0.000 1.013 29 N CA 1.640 54.754 53.050 0.106 0.000 0.863 29 N CB -0.147 38.267 38.487 -0.122 0.000 0.990 29 N HN 0.834 nan 8.380 nan 0.000 0.430 30 N N 0.436 119.272 118.700 0.226 0.000 2.392 30 N HA 0.153 4.894 4.740 0.001 0.000 0.283 30 N C 0.537 176.156 175.510 0.182 0.000 1.003 30 N CA -0.293 52.913 53.050 0.260 0.000 0.892 30 N CB 1.140 39.796 38.487 0.282 0.000 1.193 30 N HN 0.057 nan 8.380 nan 0.000 0.487 31 R N 2.158 122.762 120.500 0.173 0.000 2.073 31 R HA 0.095 4.436 4.340 0.001 0.000 0.229 31 R C 1.704 178.065 176.300 0.102 0.000 1.120 31 R CA 1.079 57.250 56.100 0.119 0.000 0.967 31 R CB 0.216 30.579 30.300 0.105 0.000 0.862 31 R HN 0.505 nan 8.270 nan 0.000 0.436 32 R N -0.563 120.001 120.500 0.106 0.000 2.153 32 R HA 0.091 4.431 4.340 0.001 0.000 0.218 32 R C 0.183 176.535 176.300 0.087 0.000 1.072 32 R CA 0.622 56.772 56.100 0.083 0.000 0.990 32 R CB 0.328 30.670 30.300 0.070 0.000 0.889 32 R HN -0.078 nan 8.270 nan 0.000 0.452 33 S N -0.342 115.424 115.700 0.111 0.000 2.620 33 S HA 0.267 4.738 4.470 0.001 0.000 0.244 33 S C -2.216 172.464 174.600 0.134 0.000 1.192 33 S CA -1.452 56.815 58.200 0.113 0.000 1.148 33 S CB 1.560 64.830 63.200 0.117 0.000 1.106 33 S HN -0.086 nan 8.310 nan 0.000 0.474 34 P HA -0.072 nan 4.420 nan 0.000 0.208 34 P C 1.301 178.686 177.300 0.142 0.000 1.195 34 P CA 1.328 64.502 63.100 0.124 0.000 0.927 34 P CB 0.133 31.890 31.700 0.095 0.000 0.778 35 A N -1.101 121.791 122.820 0.121 0.000 2.272 35 A HA -0.110 4.210 4.320 0.001 0.000 0.213 35 A C 1.074 178.744 177.584 0.143 0.000 1.183 35 A CA 0.305 52.416 52.037 0.123 0.000 0.719 35 A CB -1.753 17.306 19.000 0.098 0.000 0.771 35 A HN 0.212 nan 8.150 nan 0.000 0.484 36 L N 0.139 121.458 121.223 0.161 0.000 2.515 36 L HA 0.468 4.808 4.340 0.001 0.000 0.281 36 L C 1.123 178.120 176.870 0.212 0.000 1.131 36 L CA 1.313 56.254 54.840 0.168 0.000 0.905 36 L CB -0.159 42.004 42.059 0.174 0.000 1.246 36 L HN 0.541 nan 8.230 nan 0.000 0.463 37 G N 2.654 111.538 108.800 0.140 0.000 2.184 37 G HA2 -0.139 3.821 3.960 0.001 0.000 0.206 37 G HA3 -0.139 3.821 3.960 0.001 0.000 0.206 37 G C 0.295 175.282 174.900 0.145 0.000 0.995 37 G CA -0.060 45.077 45.100 0.061 0.000 0.651 37 G HN 1.084 nan 8.290 nan 0.000 0.511 38 A N 0.144 123.076 122.820 0.186 0.000 2.257 38 A HA 0.949 5.269 4.320 0.001 0.000 0.289 38 A C 0.987 178.641 177.584 0.117 0.000 1.095 38 A CA 0.808 52.956 52.037 0.184 0.000 0.836 38 A CB 0.563 19.659 19.000 0.161 0.000 1.111 38 A HN 2.033 nan 8.150 nan 0.000 0.497 39 A N 0.385 123.274 122.820 0.115 0.000 2.386 39 A HA 0.474 4.794 4.320 0.001 0.000 0.248 39 A C 0.652 178.274 177.584 0.064 0.000 1.082 39 A CA 0.145 52.234 52.037 0.087 0.000 0.789 39 A CB -0.282 18.775 19.000 0.095 0.000 1.025 39 A HN 1.238 nan 8.150 nan 0.000 0.490 40 N N -0.409 118.317 118.700 0.043 0.000 2.815 40 N HA -0.112 4.629 4.740 0.001 0.000 0.249 40 N C -0.761 174.765 175.510 0.028 0.000 1.114 40 N CA 0.982 54.045 53.050 0.021 0.000 0.717 40 N CB -0.723 37.774 38.487 0.017 0.000 1.074 40 N HN 0.692 nan 8.380 nan 0.000 0.555 41 R N 0.026 120.549 120.500 0.038 0.000 2.750 41 R HA 0.689 5.029 4.340 0.001 0.000 0.281 41 R C 0.198 176.527 176.300 0.048 0.000 0.972 41 R CA -0.490 55.638 56.100 0.048 0.000 0.912 41 R CB 1.043 31.380 30.300 0.061 0.000 1.187 41 R HN 0.163 nan 8.270 nan 0.000 0.464 42 A N 2.821 125.676 122.820 0.059 0.000 2.561 42 A HA 0.122 4.442 4.320 0.001 0.000 0.234 42 A C 0.433 178.056 177.584 0.064 0.000 1.055 42 A CA -0.042 52.037 52.037 0.070 0.000 0.756 42 A CB -0.116 18.934 19.000 0.084 0.000 0.986 42 A HN 0.588 nan 8.150 nan 0.000 0.505 43 L N 1.198 122.462 121.223 0.069 0.000 2.483 43 L HA 0.320 4.660 4.340 0.001 0.000 0.275 43 L C 1.099 177.996 176.870 0.044 0.000 1.220 43 L CA 0.088 54.956 54.840 0.047 0.000 0.833 43 L CB 0.193 42.292 42.059 0.066 0.000 1.102 43 L HN 0.832 nan 8.230 nan 0.000 0.490 44 A N 3.221 126.047 122.820 0.011 0.000 2.304 44 A HA 0.609 4.930 4.320 0.001 0.000 0.271 44 A C -0.233 177.353 177.584 0.004 0.000 1.091 44 A CA -0.556 51.505 52.037 0.040 0.000 0.812 44 A CB 0.488 19.540 19.000 0.086 0.000 1.056 44 A HN 0.662 nan 8.150 nan 0.000 0.489 45 R N 0.723 121.275 120.500 0.085 0.000 2.360 45 R HA 0.169 4.509 4.340 0.001 0.000 0.318 45 R C -0.443 176.009 176.300 0.253 0.000 0.950 45 R CA -0.434 55.723 56.100 0.096 0.000 0.837 45 R CB 0.972 31.325 30.300 0.088 0.000 1.165 45 R HN 0.944 nan 8.270 nan 0.000 0.458 46 W N 1.983 123.320 121.300 0.062 0.000 2.576 46 W HA 0.192 4.853 4.660 0.001 0.000 0.270 46 W C 0.486 176.989 176.519 -0.027 0.000 1.255 46 W CA 0.224 57.584 57.345 0.025 0.000 1.314 46 W CB 0.122 29.513 29.460 -0.115 0.000 1.101 46 W HN 0.240 nan 8.180 nan 0.000 0.595 47 L N 0.505 121.805 121.223 0.129 0.000 2.408 47 L HA 0.349 4.689 4.340 0.001 0.000 0.268 47 L C -2.083 174.747 176.870 -0.067 0.000 0.986 47 L CA -2.004 52.786 54.840 -0.084 0.000 0.820 47 L CB 1.909 43.681 42.059 -0.479 0.000 1.303 47 L HN -0.502 nan 8.230 nan 0.000 0.411 48 P HA -0.026 nan 4.420 nan 0.000 0.263 48 P C -0.465 176.780 177.300 -0.093 0.000 1.175 48 P CA -0.006 63.059 63.100 -0.057 0.000 0.761 48 P CB 0.485 32.152 31.700 -0.054 0.000 0.794 49 A N 3.417 126.181 122.820 -0.094 0.000 2.531 49 A HA 0.050 4.370 4.320 0.001 0.000 0.236 49 A C 0.262 177.707 177.584 -0.231 0.000 1.062 49 A CA 0.188 52.103 52.037 -0.205 0.000 0.760 49 A CB -0.130 18.726 19.000 -0.239 0.000 0.995 49 A HN 0.573 nan 8.150 nan 0.000 0.501 50 E N 1.367 121.383 120.200 -0.308 0.000 2.346 50 E HA 0.372 4.722 4.350 0.001 0.000 0.239 50 E C -1.673 174.855 176.600 -0.121 0.000 0.943 50 E CA -0.063 56.269 56.400 -0.114 0.000 0.751 50 E CB 0.913 30.624 29.700 0.019 0.000 1.241 50 E HN 0.635 nan 8.360 nan 0.000 0.423 51 Y N 0.598 120.897 120.300 -0.002 0.000 2.567 51 Y HA 0.095 4.646 4.550 0.001 0.000 0.333 51 Y C 1.720 177.319 175.900 -0.502 0.000 1.106 51 Y CA -0.984 56.977 58.100 -0.232 0.000 1.157 51 Y CB 1.130 39.450 38.460 -0.234 0.000 1.277 51 Y HN 0.458 nan 8.280 nan 0.000 0.490 52 E N 0.768 120.512 120.200 -0.760 0.000 2.038 52 E HA -0.235 4.115 4.350 0.001 0.000 0.195 52 E C 0.505 176.915 176.600 -0.317 0.000 1.000 52 E CA 1.931 57.801 56.400 -0.882 0.000 0.803 52 E CB -0.087 29.168 29.700 -0.742 0.000 0.750 52 E HN 0.805 nan 8.360 nan 0.000 0.448 53 D N -0.886 119.370 120.400 -0.241 0.000 2.352 53 D HA 0.078 4.719 4.640 0.001 0.000 0.236 53 D C 1.235 177.485 176.300 -0.083 0.000 1.148 53 D CA 0.619 54.532 54.000 -0.145 0.000 0.844 53 D CB -0.065 40.631 40.800 -0.173 0.000 0.933 53 D HN 0.457 nan 8.370 nan 0.000 0.507 54 G N 0.105 108.877 108.800 -0.046 0.000 2.300 54 G HA2 -0.398 3.563 3.960 0.001 0.000 0.267 54 G HA3 -0.398 3.563 3.960 0.001 0.000 0.267 54 G C 0.721 175.661 174.900 0.067 0.000 0.980 54 G CA 1.026 46.140 45.100 0.023 0.000 0.635 54 G HN 0.470 nan 8.290 nan 0.000 0.552 55 L N -1.227 120.006 121.223 0.017 0.000 2.433 55 L HA 0.791 5.131 4.340 0.001 0.000 0.200 55 L C 2.329 179.124 176.870 -0.125 0.000 1.059 55 L CA 2.509 57.346 54.840 -0.004 0.000 0.835 55 L CB 0.211 42.222 42.059 -0.079 0.000 1.076 55 L HN 0.785 nan 8.230 nan 0.000 0.481 56 A N -1.718 120.815 122.820 -0.479 0.000 2.726 56 A HA 0.325 4.645 4.320 0.001 0.000 0.192 56 A C -0.107 176.731 177.584 -1.243 0.000 1.412 56 A CA 0.476 51.833 52.037 -1.134 0.000 1.073 56 A CB -0.191 18.387 19.000 -0.705 0.000 1.331 56 A HN 0.093 nan 8.150 nan 0.000 0.537 57 V N 0.188 119.612 119.914 -0.815 0.000 2.465 57 V HA 0.665 4.786 4.120 0.001 0.000 0.279 57 V C -3.151 172.598 176.094 -0.574 0.000 1.045 57 V CA -2.256 59.531 62.300 -0.854 0.000 0.938 57 V CB 1.126 32.434 31.823 -0.859 0.000 0.986 57 V HN 0.131 nan 8.190 nan 0.000 0.467 58 P HA 0.226 nan 4.420 nan 0.000 0.269 58 P C -0.758 176.519 177.300 -0.039 0.000 1.215 58 P CA 0.003 63.041 63.100 -0.103 0.000 0.780 58 P CB 0.174 31.820 31.700 -0.091 0.000 0.898 59 F N 1.659 121.719 119.950 0.183 0.000 2.506 59 F HA 0.372 4.899 4.527 0.001 0.000 0.371 59 F C 1.708 177.661 175.800 0.255 0.000 1.078 59 F CA 1.487 59.599 58.000 0.187 0.000 1.195 59 F CB -0.126 38.972 39.000 0.163 0.000 1.099 59 F HN 0.612 nan 8.300 nan 0.000 0.548 60 G N 3.430 112.482 108.800 0.420 0.000 2.148 60 G HA2 -0.241 3.719 3.960 0.001 0.000 0.157 60 G HA3 -0.241 3.719 3.960 0.001 0.000 0.157 60 G C 0.495 175.616 174.900 0.367 0.000 1.012 60 G CA -0.104 45.218 45.100 0.369 0.000 0.677 60 G HN 0.748 nan 8.290 nan 0.000 0.506 61 W N 0.741 122.059 121.300 0.030 0.000 2.674 61 W HA 0.221 4.881 4.660 0.000 0.000 0.298 61 W C 0.308 176.801 176.519 -0.043 0.000 1.115 61 W CA 1.645 58.927 57.345 -0.105 0.000 1.532 61 W CB 0.216 29.494 29.460 -0.303 0.000 1.142 61 W HN 0.122 nan 8.180 nan 0.000 0.528 62 T N 3.005 117.708 114.554 0.249 0.000 3.598 62 T HA 0.107 4.458 4.350 0.001 0.000 0.343 62 T C 0.873 175.623 174.700 0.082 0.000 1.697 62 T CA -0.036 62.137 62.100 0.122 0.000 1.247 62 T CB 0.448 69.416 68.868 0.167 0.000 1.210 62 T HN 0.137 nan 8.240 nan 0.000 0.820 63 Q N 1.518 121.345 119.800 0.044 0.000 2.277 63 Q HA -0.330 4.010 4.340 0.001 0.000 0.222 63 Q C 1.849 177.888 176.000 0.064 0.000 1.083 63 Q CA 1.849 57.682 55.803 0.050 0.000 0.964 63 Q CB -0.419 28.325 28.738 0.011 0.000 1.088 63 Q HN 0.422 nan 8.270 nan 0.000 0.477 64 R N 1.937 122.465 120.500 0.045 0.000 2.500 64 R HA -0.042 4.298 4.340 0.001 0.000 0.212 64 R C -0.842 175.491 176.300 0.055 0.000 1.330 64 R CA 0.678 56.803 56.100 0.042 0.000 1.262 64 R CB -0.117 30.198 30.300 0.025 0.000 0.998 64 R HN 0.143 nan 8.270 nan 0.000 0.484 65 K N 0.325 120.775 120.400 0.084 0.000 2.508 65 K HA 0.276 4.596 4.320 0.001 0.000 0.260 65 K C -0.649 176.044 176.600 0.154 0.000 0.949 65 K CA -0.635 55.715 56.287 0.105 0.000 0.834 65 K CB 2.109 34.674 32.500 0.108 0.000 1.365 65 K HN 0.166 nan 8.250 nan 0.000 0.437 66 T N -1.620 113.033 114.554 0.165 0.000 2.942 66 T HA 0.532 4.882 4.350 0.001 0.000 0.289 66 T C -0.205 174.653 174.700 0.264 0.000 1.044 66 T CA -0.997 61.215 62.100 0.187 0.000 1.023 66 T CB 2.361 71.277 68.868 0.080 0.000 1.123 66 T HN 0.457 nan 8.240 nan 0.000 0.512 67 R N 0.918 121.511 120.500 0.156 0.000 2.393 67 R HA 0.328 4.668 4.340 0.001 0.000 0.310 67 R C -0.296 176.010 176.300 0.010 0.000 0.968 67 R CA -0.368 55.691 56.100 -0.068 0.000 0.867 67 R CB 0.328 30.317 30.300 -0.519 0.000 1.124 67 R HN 0.869 nan 8.270 nan 0.000 0.450 68 N N 2.216 120.929 118.700 0.021 0.000 2.741 68 N HA -0.186 4.554 4.740 0.001 0.000 0.250 68 N C 0.337 175.835 175.510 -0.020 0.000 1.115 68 N CA 1.445 54.526 53.050 0.051 0.000 0.724 68 N CB -1.224 37.329 38.487 0.110 0.000 1.090 68 N HN 1.052 nan 8.380 nan 0.000 0.558 69 G N -1.472 107.256 108.800 -0.119 0.000 2.149 69 G HA2 -0.273 3.687 3.960 0.001 0.000 0.235 69 G HA3 -0.273 3.687 3.960 0.001 0.000 0.235 69 G C -0.198 174.265 174.900 -0.730 0.000 1.018 69 G CA 0.407 45.273 45.100 -0.389 0.000 0.728 69 G HN 0.444 nan 8.290 nan 0.000 0.508 70 F N -1.182 118.787 119.950 0.033 0.000 2.626 70 F HA 0.633 5.161 4.527 0.000 0.000 0.311 70 F C 0.629 176.456 175.800 0.046 0.000 1.088 70 F CA -1.298 56.722 58.000 0.034 0.000 0.949 70 F CB 1.320 40.338 39.000 0.030 0.000 1.322 70 F HN -0.077 nan 8.300 nan 0.000 0.461 71 R N 1.603 122.260 120.500 0.262 0.000 2.234 71 R HA 0.486 4.827 4.340 0.001 0.000 0.324 71 R C -0.965 175.416 176.300 0.136 0.000 1.054 71 R CA -0.758 55.441 56.100 0.165 0.000 0.912 71 R CB 1.033 31.401 30.300 0.113 0.000 1.030 71 R HN 0.485 nan 8.270 nan 0.000 0.455 72 V N 1.798 121.799 119.914 0.145 0.000 2.529 72 V HA 0.161 4.281 4.120 0.001 0.000 0.292 72 V C -1.489 174.626 176.094 0.035 0.000 1.028 72 V CA -1.771 60.601 62.300 0.120 0.000 1.074 72 V CB -0.134 31.808 31.823 0.199 0.000 0.958 72 V HN 0.673 nan 8.190 nan 0.000 0.481 73 P HA 0.194 nan 4.420 nan 0.000 0.268 73 P C 0.073 177.334 177.300 -0.064 0.000 1.205 73 P CA -0.406 62.605 63.100 -0.149 0.000 0.771 73 P CB 0.814 32.282 31.700 -0.386 0.000 0.858 74 L N 1.773 122.969 121.223 -0.044 0.000 2.529 74 L HA -0.062 4.278 4.340 0.001 0.000 0.287 74 L C 2.077 178.928 176.870 -0.031 0.000 1.241 74 L CA -0.078 54.743 54.840 -0.033 0.000 0.857 74 L CB -0.026 42.016 42.059 -0.029 0.000 1.113 74 L HN 0.510 nan 8.230 nan 0.000 0.504 75 A N 3.013 125.803 122.820 -0.051 0.000 1.851 75 A HA -0.229 4.091 4.320 0.001 0.000 0.216 75 A C 2.235 179.825 177.584 0.009 0.000 1.195 75 A CA 1.845 53.863 52.037 -0.032 0.000 0.622 75 A CB -0.440 18.483 19.000 -0.129 0.000 0.831 75 A HN 0.864 nan 8.150 nan 0.000 0.444 76 R N 0.319 120.822 120.500 0.005 0.000 2.159 76 R HA -0.159 4.181 4.340 0.001 0.000 0.237 76 R C 1.911 178.254 176.300 0.070 0.000 1.131 76 R CA 2.063 58.205 56.100 0.070 0.000 0.982 76 R CB -0.504 29.884 30.300 0.147 0.000 0.868 76 R HN 0.744 nan 8.270 nan 0.000 0.453 77 E N -0.924 119.300 120.200 0.039 0.000 2.076 77 E HA -0.091 4.259 4.350 0.001 0.000 0.190 77 E C 1.669 178.286 176.600 0.027 0.000 0.979 77 E CA 1.137 57.551 56.400 0.023 0.000 0.807 77 E CB 0.091 29.786 29.700 -0.009 0.000 0.761 77 E HN 0.179 nan 8.360 nan 0.000 0.454 78 V N 0.828 120.760 119.914 0.030 0.000 2.324 78 V HA -0.291 3.829 4.120 0.001 0.000 0.250 78 V C 2.459 178.626 176.094 0.122 0.000 1.060 78 V CA 1.934 64.277 62.300 0.073 0.000 1.042 78 V CB -0.757 31.150 31.823 0.140 0.000 0.650 78 V HN 0.323 nan 8.190 nan 0.000 0.450 79 S N 0.406 116.184 115.700 0.129 0.000 2.343 79 S HA -0.217 4.253 4.470 0.001 0.000 0.219 79 S C 1.931 176.596 174.600 0.109 0.000 1.033 79 S CA 2.019 60.307 58.200 0.147 0.000 1.014 79 S CB -0.414 62.863 63.200 0.128 0.000 0.915 79 S HN 0.699 nan 8.310 nan 0.000 0.435 80 N N 1.581 120.327 118.700 0.076 0.000 2.080 80 N HA -0.026 4.714 4.740 0.001 0.000 0.189 80 N C 1.707 177.247 175.510 0.051 0.000 1.036 80 N CA 1.063 54.144 53.050 0.052 0.000 0.846 80 N CB -0.453 38.052 38.487 0.030 0.000 1.015 80 N HN 0.391 nan 8.380 nan 0.000 0.423 81 K N 0.512 120.938 120.400 0.043 0.000 2.209 81 K HA 0.037 4.357 4.320 0.001 0.000 0.204 81 K C 1.724 178.354 176.600 0.050 0.000 1.048 81 K CA 0.815 57.123 56.287 0.035 0.000 0.940 81 K CB 0.162 32.671 32.500 0.016 0.000 0.729 81 K HN 0.335 nan 8.250 nan 0.000 0.451 82 I N -1.193 119.420 120.570 0.071 0.000 4.530 82 I HA -0.081 4.089 4.170 0.001 0.000 0.318 82 I C 1.741 177.920 176.117 0.105 0.000 1.257 82 I CA 0.129 61.477 61.300 0.080 0.000 1.301 82 I CB 0.546 38.594 38.000 0.080 0.000 1.297 82 I HN -0.272 nan 8.210 nan 0.000 0.451 83 V N 1.232 121.228 119.914 0.136 0.000 2.446 83 V HA 0.107 4.228 4.120 0.001 0.000 0.244 83 V C 1.580 177.792 176.094 0.198 0.000 1.039 83 V CA 1.139 63.545 62.300 0.177 0.000 1.045 83 V CB -0.958 31.010 31.823 0.242 0.000 0.681 83 V HN 0.402 nan 8.190 nan 0.000 0.459 84 G N -0.301 108.587 108.800 0.147 0.000 2.634 84 G HA2 0.379 4.339 3.960 0.001 0.000 0.255 84 G HA3 0.379 4.339 3.960 0.001 0.000 0.255 84 G C -0.866 174.152 174.900 0.196 0.000 1.205 84 G CA 0.284 45.448 45.100 0.107 0.000 0.884 84 G HN 0.605 nan 8.290 nan 0.000 0.549 85 Y N -1.817 118.517 120.300 0.057 0.000 2.521 85 Y HA 0.462 5.013 4.550 0.001 0.000 0.326 85 Y C -0.213 175.715 175.900 0.047 0.000 1.176 85 Y CA -1.131 56.997 58.100 0.048 0.000 1.079 85 Y CB 0.568 39.058 38.460 0.049 0.000 1.341 85 Y HN 0.320 nan 8.280 nan 0.000 0.456 86 L N 1.085 122.403 121.223 0.158 0.000 2.221 86 L HA 0.129 4.469 4.340 0.001 0.000 0.202 86 L C 0.236 177.197 176.870 0.152 0.000 1.074 86 L CA 0.870 55.756 54.840 0.077 0.000 0.795 86 L CB 0.203 42.298 42.059 0.059 0.000 0.960 86 L HN 0.753 nan 8.230 nan 0.000 0.458 87 D N 0.061 120.599 120.400 0.229 0.000 2.339 87 D HA 0.001 4.642 4.640 0.001 0.000 0.241 87 D C 0.814 177.262 176.300 0.246 0.000 1.183 87 D CA 0.065 54.177 54.000 0.187 0.000 0.859 87 D CB 0.858 41.728 40.800 0.118 0.000 1.067 87 D HN -0.009 nan 8.370 nan 0.000 0.484 88 E N 2.453 122.788 120.200 0.225 0.000 2.516 88 E HA -0.096 4.255 4.350 0.001 0.000 0.199 88 E C 0.187 176.857 176.600 0.118 0.000 1.069 88 E CA 0.120 56.657 56.400 0.228 0.000 0.876 88 E CB -0.080 29.735 29.700 0.192 0.000 0.843 88 E HN 0.666 nan 8.360 nan 0.000 0.530 89 E N 0.795 121.048 120.200 0.088 0.000 2.558 89 E HA 0.003 4.354 4.350 0.001 0.000 0.255 89 E C 0.445 177.066 176.600 0.036 0.000 0.968 89 E CA 0.482 56.916 56.400 0.056 0.000 0.939 89 E CB 0.033 29.760 29.700 0.046 0.000 0.921 89 E HN 0.243 nan 8.360 nan 0.000 0.477 90 G N 3.690 112.511 108.800 0.035 0.000 2.424 90 G HA2 -0.260 3.701 3.960 0.001 0.000 0.294 90 G HA3 -0.260 3.701 3.960 0.001 0.000 0.294 90 G C 0.313 175.219 174.900 0.009 0.000 0.939 90 G CA 0.486 45.601 45.100 0.025 0.000 1.143 90 G HN 0.583 nan 8.290 nan 0.000 0.507 91 V N 0.667 120.588 119.914 0.011 0.000 2.982 91 V HA 0.555 4.675 4.120 0.001 0.000 0.368 91 V C 0.129 176.231 176.094 0.014 0.000 1.350 91 V CA -0.420 61.864 62.300 -0.026 0.000 1.251 91 V CB -0.030 31.749 31.823 -0.072 0.000 1.284 91 V HN 0.309 nan 8.190 nan 0.000 0.533 92 L N 1.253 122.498 121.223 0.036 0.000 2.322 92 L HA 0.561 4.901 4.340 0.001 0.000 0.281 92 L C 0.189 177.094 176.870 0.059 0.000 1.014 92 L CA -0.306 54.572 54.840 0.062 0.000 0.815 92 L CB 1.381 43.485 42.059 0.075 0.000 1.247 92 L HN 0.101 nan 8.230 nan 0.000 0.421 93 D N 1.596 122.044 120.400 0.080 0.000 2.472 93 D HA -0.082 4.559 4.640 0.001 0.000 0.237 93 D C 0.262 176.597 176.300 0.057 0.000 1.141 93 D CA 0.559 54.602 54.000 0.072 0.000 0.875 93 D CB 1.077 41.948 40.800 0.120 0.000 1.192 93 D HN 0.631 nan 8.370 nan 0.000 0.450 94 Q N 1.900 121.718 119.800 0.029 0.000 2.217 94 Q HA 0.075 4.415 4.340 0.001 0.000 0.217 94 Q C -0.128 175.879 176.000 0.011 0.000 0.844 94 Q CA -0.120 55.699 55.803 0.028 0.000 0.957 94 Q CB 0.337 29.089 28.738 0.022 0.000 1.127 94 Q HN 0.271 nan 8.270 nan 0.000 0.503 95 N N 0.593 119.281 118.700 -0.019 0.000 2.622 95 N HA 0.144 4.884 4.740 0.001 0.000 0.304 95 N C -1.769 173.676 175.510 -0.107 0.000 1.844 95 N CA -0.120 52.900 53.050 -0.050 0.000 0.886 95 N CB 0.512 38.956 38.487 -0.071 0.000 1.366 95 N HN -0.086 nan 8.380 nan 0.000 0.491 96 R N 0.322 120.794 120.500 -0.047 0.000 2.585 96 R HA 0.239 4.579 4.340 0.001 0.000 0.288 96 R C -0.426 175.962 176.300 0.145 0.000 1.194 96 R CA -0.496 55.572 56.100 -0.053 0.000 1.006 96 R CB 0.628 30.852 30.300 -0.127 0.000 1.229 96 R HN 0.356 nan 8.270 nan 0.000 0.412 97 S N 1.921 117.742 115.700 0.202 0.000 2.596 97 S HA 0.160 4.630 4.470 0.001 0.000 0.260 97 S C 1.369 176.154 174.600 0.308 0.000 1.336 97 S CA -0.704 57.639 58.200 0.239 0.000 0.993 97 S CB 0.795 64.134 63.200 0.231 0.000 0.923 97 S HN 0.657 nan 8.310 nan 0.000 0.567 98 L N 0.365 121.740 121.223 0.253 0.000 2.201 98 L HA -0.031 4.309 4.340 0.001 0.000 0.212 98 L C 2.174 179.201 176.870 0.261 0.000 1.105 98 L CA 1.081 56.061 54.840 0.232 0.000 0.775 98 L CB -0.638 41.527 42.059 0.178 0.000 0.913 98 L HN 0.819 nan 8.230 nan 0.000 0.440 99 L N -0.406 120.993 121.223 0.294 0.000 2.187 99 L HA -0.251 4.089 4.340 0.001 0.000 0.213 99 L C 2.168 179.338 176.870 0.500 0.000 1.100 99 L CA 1.673 56.705 54.840 0.319 0.000 0.765 99 L CB -0.949 41.254 42.059 0.239 0.000 0.904 99 L HN 0.239 nan 8.230 nan 0.000 0.437 100 F N 0.570 120.749 119.950 0.383 0.000 2.250 100 F HA -0.226 4.301 4.527 0.001 0.000 0.301 100 F C 2.018 177.992 175.800 0.289 0.000 1.077 100 F CA 1.903 60.104 58.000 0.335 0.000 1.348 100 F CB -0.268 38.866 39.000 0.224 0.000 1.040 100 F HN 0.422 nan 8.300 nan 0.000 0.509 101 M N -1.567 118.070 119.600 0.062 0.000 2.461 101 M HA 0.243 4.723 4.480 0.001 0.000 0.255 101 M C 1.480 177.734 176.300 -0.077 0.000 1.137 101 M CA 0.921 56.150 55.300 -0.118 0.000 1.086 101 M CB -0.584 31.982 32.600 -0.057 0.000 1.356 101 M HN -0.019 nan 8.290 nan 0.000 0.487 102 Q N 0.194 120.015 119.800 0.035 0.000 2.137 102 Q HA -0.033 4.307 4.340 0.001 0.000 0.198 102 Q C 1.790 177.741 176.000 -0.082 0.000 0.960 102 Q CA 1.780 57.572 55.803 -0.018 0.000 0.847 102 Q CB -0.613 28.163 28.738 0.062 0.000 0.915 102 Q HN 0.793 nan 8.270 nan 0.000 0.448 103 W N 0.229 121.442 121.300 -0.144 0.000 2.465 103 W HA -0.033 4.627 4.660 0.001 0.000 0.268 103 W C 1.313 177.581 176.519 -0.418 0.000 1.242 103 W CA 1.259 58.456 57.345 -0.247 0.000 1.248 103 W CB -0.138 29.244 29.460 -0.131 0.000 1.118 103 W HN 0.263 nan 8.180 nan 0.000 0.587 104 G N 0.524 109.093 108.800 -0.386 0.000 2.464 104 G HA2 -0.369 3.591 3.960 0.001 0.000 0.214 104 G HA3 -0.369 3.591 3.960 0.001 0.000 0.214 104 G C 1.325 175.825 174.900 -0.667 0.000 1.218 104 G CA 1.078 45.859 45.100 -0.530 0.000 0.794 104 G HN 0.366 nan 8.290 nan 0.000 0.542 105 Q N -0.245 119.186 119.800 -0.616 0.000 2.325 105 Q HA -0.107 4.233 4.340 0.001 0.000 0.211 105 Q C 2.383 177.907 176.000 -0.794 0.000 0.988 105 Q CA 1.006 56.388 55.803 -0.702 0.000 0.887 105 Q CB -0.181 28.212 28.738 -0.575 0.000 0.915 105 Q HN 0.619 nan 8.270 nan 0.000 0.440 106 I N -1.055 119.089 120.570 -0.709 0.000 2.296 106 I HA -0.208 3.962 4.170 0.001 0.000 0.242 106 I C 2.084 177.866 176.117 -0.558 0.000 1.087 106 I CA 0.488 61.372 61.300 -0.693 0.000 1.393 106 I CB -0.072 37.400 38.000 -0.880 0.000 1.093 106 I HN 0.051 nan 8.210 nan 0.000 0.421 107 V N 1.035 120.551 119.914 -0.663 0.000 2.332 107 V HA -0.344 3.776 4.120 0.001 0.000 0.248 107 V C 2.320 178.482 176.094 0.112 0.000 1.055 107 V CA 2.226 64.376 62.300 -0.250 0.000 1.038 107 V CB -0.763 30.949 31.823 -0.185 0.000 0.651 107 V HN 0.565 nan 8.190 nan 0.000 0.450 108 D N -0.302 120.155 120.400 0.095 0.000 2.106 108 D HA -0.268 4.372 4.640 0.001 0.000 0.191 108 D C 1.968 178.360 176.300 0.154 0.000 0.997 108 D CA 2.053 56.142 54.000 0.149 0.000 0.834 108 D CB -0.265 40.274 40.800 -0.435 0.000 0.956 108 D HN 0.670 nan 8.370 nan 0.000 0.448 109 H N -0.446 118.536 119.070 -0.147 0.000 2.456 109 H HA -0.103 4.454 4.556 0.001 0.000 0.296 109 H C 1.782 177.073 175.328 -0.061 0.000 1.079 109 H CA 0.958 56.924 56.048 -0.136 0.000 1.322 109 H CB 0.255 29.904 29.762 -0.189 0.000 1.388 109 H HN 0.280 nan 8.280 nan 0.000 0.538 110 D N 0.742 121.194 120.400 0.086 0.000 2.234 110 D HA -0.076 4.564 4.640 0.001 0.000 0.205 110 D C 2.056 178.434 176.300 0.130 0.000 0.962 110 D CA 0.412 54.467 54.000 0.092 0.000 0.855 110 D CB 0.314 41.161 40.800 0.079 0.000 0.951 110 D HN 0.367 nan 8.370 nan 0.000 0.500 111 L N 0.142 121.459 121.223 0.157 0.000 2.168 111 L HA 0.107 4.447 4.340 0.001 0.000 0.203 111 L C 0.746 177.687 176.870 0.118 0.000 1.078 111 L CA 0.582 55.510 54.840 0.145 0.000 0.780 111 L CB -0.063 42.114 42.059 0.197 0.000 0.939 111 L HN 0.044 nan 8.230 nan 0.000 0.451 112 D N -1.866 118.608 120.400 0.124 0.000 2.583 112 D HA 0.368 5.008 4.640 0.001 0.000 0.248 112 D C -1.394 174.986 176.300 0.134 0.000 1.209 112 D CA -0.415 53.648 54.000 0.104 0.000 0.848 112 D CB 3.134 43.985 40.800 0.085 0.000 1.431 112 D HN -0.189 nan 8.370 nan 0.000 0.436 113 F N 0.538 120.443 119.950 -0.075 0.000 3.102 113 F HA 0.490 5.018 4.527 0.001 0.000 0.359 113 F C -1.872 173.889 175.800 -0.066 0.000 1.243 113 F CA -0.922 57.014 58.000 -0.107 0.000 1.215 113 F CB 1.131 40.060 39.000 -0.119 0.000 1.549 113 F HN 0.626 nan 8.300 nan 0.000 0.657 114 A N 7.223 129.963 122.820 -0.133 0.000 2.341 114 A HA 0.728 5.049 4.320 0.001 0.000 0.326 114 A C -2.602 174.690 177.584 -0.486 0.000 1.402 114 A CA -1.560 50.341 52.037 -0.226 0.000 0.957 114 A CB -0.293 18.736 19.000 0.049 0.000 1.151 114 A HN 0.451 nan 8.150 nan 0.000 0.533 115 P HA 0.028 nan 4.420 nan 0.000 0.264 115 P C 0.101 177.188 177.300 -0.354 0.000 1.179 115 P CA 0.297 62.977 63.100 -0.700 0.000 0.763 115 P CB 0.538 31.918 31.700 -0.533 0.000 0.806 116 E N 0.718 120.746 120.200 -0.287 0.000 2.374 116 E HA 0.239 4.589 4.350 0.001 0.000 0.260 116 E C -0.126 176.345 176.600 -0.215 0.000 1.101 116 E CA -0.456 55.821 56.400 -0.205 0.000 0.907 116 E CB 0.527 30.102 29.700 -0.207 0.000 1.014 116 E HN 0.443 nan 8.360 nan 0.000 0.427 117 T N 0.296 114.746 114.554 -0.174 0.000 2.749 117 T HA 0.439 4.789 4.350 0.001 0.000 0.287 117 T C -0.334 174.196 174.700 -0.283 0.000 0.970 117 T CA -0.790 61.197 62.100 -0.187 0.000 0.980 117 T CB 1.153 69.962 68.868 -0.098 0.000 0.924 117 T HN 0.442 nan 8.240 nan 0.000 0.456 118 E N 3.416 123.446 120.200 -0.283 0.000 2.409 118 E HA 0.415 4.765 4.350 0.001 0.000 0.259 118 E C -0.995 175.479 176.600 -0.211 0.000 0.932 118 E CA -0.777 55.423 56.400 -0.334 0.000 0.809 118 E CB 0.529 30.024 29.700 -0.342 0.000 1.341 118 E HN 0.460 nan 8.360 nan 0.000 0.405 119 L N 1.771 122.899 121.223 -0.159 0.000 2.400 119 L HA 0.849 5.190 4.340 0.001 0.000 0.264 119 L C 0.767 177.572 176.870 -0.107 0.000 1.061 119 L CA -0.429 54.345 54.840 -0.110 0.000 0.799 119 L CB 0.484 42.503 42.059 -0.066 0.000 1.240 119 L HN 0.699 nan 8.230 nan 0.000 0.461 120 G N 0.232 108.983 108.800 -0.082 0.000 3.436 120 G HA2 0.061 4.021 3.960 0.001 0.000 0.685 120 G HA3 0.061 4.021 3.960 0.001 0.000 0.685 120 G C -0.100 174.735 174.900 -0.108 0.000 1.039 120 G CA 0.034 45.086 45.100 -0.080 0.000 0.879 120 G HN 0.970 nan 8.290 nan 0.000 0.478 121 S N 0.737 116.386 115.700 -0.086 0.000 3.051 121 S HA 0.590 5.060 4.470 0.001 0.000 0.250 121 S C 1.127 175.682 174.600 -0.075 0.000 0.906 121 S CA 1.249 59.394 58.200 -0.090 0.000 1.234 121 S CB 0.150 63.299 63.200 -0.086 0.000 1.175 121 S HN 1.262 nan 8.310 nan 0.000 0.635 122 S N 0.726 116.387 115.700 -0.065 0.000 3.984 122 S HA 0.304 4.774 4.470 0.001 0.000 0.221 122 S C -0.150 174.416 174.600 -0.057 0.000 1.149 122 S CA -0.043 58.120 58.200 -0.062 0.000 0.950 122 S CB -0.152 63.017 63.200 -0.051 0.000 1.216 122 S HN 0.629 nan 8.310 nan 0.000 0.547 123 E N 0.988 121.170 120.200 -0.031 0.000 3.521 123 E HA -0.276 4.074 4.350 0.001 0.000 0.355 123 E C -0.105 176.539 176.600 0.074 0.000 0.805 123 E CA 1.014 57.424 56.400 0.018 0.000 1.145 123 E CB -0.047 29.661 29.700 0.014 0.000 0.996 123 E HN 0.643 nan 8.360 nan 0.000 0.470 124 H N 0.897 119.992 119.070 0.041 0.000 3.241 124 H HA 0.184 4.739 4.556 -0.000 0.000 0.260 124 H C 1.369 176.759 175.328 0.104 0.000 1.084 124 H CA 0.364 56.453 56.048 0.069 0.000 1.203 124 H CB 0.574 30.375 29.762 0.065 0.000 1.524 124 H HN 0.424 nan 8.280 nan 0.000 0.521 125 S N 0.507 116.326 115.700 0.199 0.000 2.447 125 S HA -0.119 4.351 4.470 0.001 0.000 0.233 125 S C 1.874 176.620 174.600 0.243 0.000 1.006 125 S CA 0.840 59.147 58.200 0.178 0.000 0.957 125 S CB 0.039 63.332 63.200 0.155 0.000 0.773 125 S HN 0.363 nan 8.310 nan 0.000 0.507 126 K N 0.988 121.523 120.400 0.225 0.000 2.209 126 K HA -0.041 4.279 4.320 0.001 0.000 0.204 126 K C 1.452 178.234 176.600 0.302 0.000 1.048 126 K CA 1.015 57.457 56.287 0.258 0.000 0.940 126 K CB 0.037 32.592 32.500 0.091 0.000 0.729 126 K HN 0.204 nan 8.250 nan 0.000 0.451 127 V N 0.428 120.489 119.914 0.245 0.000 3.174 127 V HA -0.077 4.044 4.120 0.001 0.000 0.254 127 V C 2.077 178.279 176.094 0.180 0.000 1.120 127 V CA 0.921 63.348 62.300 0.212 0.000 1.114 127 V CB 0.096 32.078 31.823 0.265 0.000 0.756 127 V HN 0.374 nan 8.190 nan 0.000 0.467 128 Q N -1.040 118.877 119.800 0.195 0.000 2.437 128 Q HA -0.197 4.144 4.340 0.001 0.000 0.210 128 Q C 2.109 178.219 176.000 0.184 0.000 0.972 128 Q CA 1.736 57.683 55.803 0.240 0.000 0.903 128 Q CB -0.110 28.704 28.738 0.127 0.000 0.967 128 Q HN 0.670 nan 8.270 nan 0.000 0.486 129 c N -0.603 118.076 118.600 0.133 0.000 2.520 129 c HA 0.098 4.668 4.570 0.001 0.000 0.291 129 c C 2.363 176.465 174.090 0.021 0.000 1.364 129 c CA 0.448 56.791 56.329 0.024 0.000 1.781 129 c CB -0.295 42.139 42.510 -0.126 0.000 2.171 129 c HN 0.650 nan 8.230 nan 0.000 0.516 130 E N 0.128 120.386 120.200 0.098 0.000 2.150 130 E HA -0.160 4.190 4.350 0.001 0.000 0.193 130 E C 1.712 178.278 176.600 -0.056 0.000 0.985 130 E CA 1.056 57.479 56.400 0.038 0.000 0.814 130 E CB 0.092 29.882 29.700 0.149 0.000 0.752 130 E HN 0.607 nan 8.360 nan 0.000 0.466 131 E N -1.076 119.065 120.200 -0.098 0.000 2.364 131 E HA -0.034 4.317 4.350 0.001 0.000 0.196 131 E C 0.855 177.153 176.600 -0.504 0.000 0.990 131 E CA 0.492 56.698 56.400 -0.324 0.000 0.886 131 E CB 0.301 29.713 29.700 -0.480 0.000 0.866 131 E HN 0.438 nan 8.360 nan 0.000 0.493 132 Y N -0.873 119.405 120.300 -0.035 0.000 2.426 132 Y HA 0.168 4.718 4.550 0.000 0.000 0.249 132 Y C 0.601 176.462 175.900 -0.066 0.000 1.103 132 Y CA -0.395 57.676 58.100 -0.047 0.000 1.256 132 Y CB 0.382 38.813 38.460 -0.048 0.000 1.208 132 Y HN -0.121 nan 8.280 nan 0.000 0.519 133 c N 2.138 120.757 118.600 0.031 0.000 3.896 133 c HA -0.220 4.350 4.570 0.001 0.000 0.300 133 c C -0.103 173.961 174.090 -0.042 0.000 1.322 133 c CA -0.604 55.697 56.329 -0.046 0.000 2.130 133 c CB -3.016 39.439 42.510 -0.091 0.000 1.363 133 c HN 0.292 nan 8.230 nan 0.000 0.642 134 I N 0.832 121.389 120.570 -0.022 0.000 2.355 134 I HA 0.325 4.496 4.170 0.001 0.000 0.288 134 I C 0.404 176.468 176.117 -0.089 0.000 0.999 134 I CA 0.394 61.663 61.300 -0.052 0.000 1.163 134 I CB 1.171 39.157 38.000 -0.024 0.000 1.316 134 I HN 0.419 nan 8.210 nan 0.000 0.454 135 Q N 4.396 124.096 119.800 -0.167 0.000 2.332 135 Q HA 0.595 4.935 4.340 0.001 0.000 0.263 135 Q C -0.222 175.685 176.000 -0.156 0.000 0.979 135 Q CA -0.046 55.593 55.803 -0.272 0.000 0.885 135 Q CB 0.947 29.329 28.738 -0.593 0.000 1.218 135 Q HN 0.900 nan 8.270 nan 0.000 0.405 136 G N 2.982 111.782 108.800 0.001 0.000 2.238 136 G HA2 0.239 4.199 3.960 0.001 0.000 0.276 136 G HA3 0.239 4.199 3.960 0.001 0.000 0.276 136 G C -1.248 173.795 174.900 0.238 0.000 1.744 136 G CA -0.309 44.892 45.100 0.169 0.000 0.912 136 G HN 0.830 nan 8.290 nan 0.000 0.744 137 D N -0.311 120.264 120.400 0.293 0.000 3.307 137 D HA -0.240 4.400 4.640 0.001 0.000 0.197 137 D C 1.484 177.879 176.300 0.159 0.000 1.363 137 D CA 1.348 55.474 54.000 0.210 0.000 1.100 137 D CB -0.309 40.615 40.800 0.206 0.000 0.616 137 D HN 0.435 nan 8.370 nan 0.000 0.719 138 N N -0.525 118.264 118.700 0.148 0.000 2.573 138 N HA -0.058 4.682 4.740 0.001 0.000 0.187 138 N C 0.307 175.978 175.510 0.268 0.000 1.107 138 N CA 0.589 53.762 53.050 0.206 0.000 0.918 138 N CB -0.414 38.240 38.487 0.279 0.000 0.966 138 N HN 0.374 nan 8.380 nan 0.000 0.448 139 c N 1.529 120.216 118.600 0.145 0.000 2.373 139 c HA 0.314 4.884 4.570 0.001 0.000 0.354 139 c C -0.128 174.072 174.090 0.182 0.000 1.249 139 c CA -0.660 55.595 56.329 -0.123 0.000 1.784 139 c CB -1.576 40.827 42.510 -0.179 0.000 2.408 139 c HN 0.244 nan 8.230 nan 0.000 0.542 140 F N 8.726 128.696 119.950 0.033 0.000 2.584 140 F HA 0.462 4.989 4.527 0.000 0.000 0.328 140 F C -2.464 173.304 175.800 -0.053 0.000 1.407 140 F CA -3.120 54.940 58.000 0.099 0.000 1.145 140 F CB 0.005 39.253 39.000 0.413 0.000 1.440 140 F HN 0.455 nan 8.300 nan 0.000 0.580 141 P HA -0.027 nan 4.420 nan 0.000 0.266 141 P C -0.086 176.961 177.300 -0.421 0.000 1.180 141 P CA 0.714 63.678 63.100 -0.228 0.000 0.765 141 P CB 0.637 32.221 31.700 -0.193 0.000 0.806 142 I N 3.273 123.601 120.570 -0.402 0.000 2.310 142 I HA 0.171 4.342 4.170 0.001 0.000 0.287 142 I C 0.597 176.438 176.117 -0.460 0.000 1.073 142 I CA -0.689 60.345 61.300 -0.442 0.000 1.216 142 I CB 0.424 38.219 38.000 -0.343 0.000 1.415 142 I HN 0.310 nan 8.210 nan 0.000 0.480 143 M N 5.220 124.595 119.600 -0.375 0.000 2.207 143 M HA 0.270 4.750 4.480 0.001 0.000 0.311 143 M C -0.566 175.554 176.300 -0.300 0.000 1.127 143 M CA 0.584 55.667 55.300 -0.362 0.000 1.181 143 M CB 0.217 32.702 32.600 -0.191 0.000 1.409 143 M HN 0.145 nan 8.290 nan 0.000 0.461 144 F N 2.846 122.757 119.950 -0.066 0.000 2.458 144 F HA 0.619 5.146 4.527 0.000 0.000 0.330 144 F C -1.690 174.082 175.800 -0.045 0.000 1.082 144 F CA -2.238 55.730 58.000 -0.055 0.000 0.995 144 F CB 0.225 39.193 39.000 -0.053 0.000 1.170 144 F HN 0.443 nan 8.300 nan 0.000 0.478 145 P HA 0.248 nan 4.420 nan 0.000 0.293 145 P C -0.903 176.430 177.300 0.056 0.000 1.304 145 P CA -0.676 62.468 63.100 0.074 0.000 0.767 145 P CB 1.068 32.795 31.700 0.044 0.000 1.247 146 K N -0.154 120.261 120.400 0.026 0.000 2.286 146 K HA 0.015 4.335 4.320 0.001 0.000 0.256 146 K C 0.353 176.947 176.600 -0.009 0.000 0.999 146 K CA 0.171 56.464 56.287 0.010 0.000 0.908 146 K CB -0.508 31.994 32.500 0.003 0.000 0.981 146 K HN 0.366 nan 8.250 nan 0.000 0.500 147 N N 1.574 120.261 118.700 -0.022 0.000 2.701 147 N HA -0.220 4.520 4.740 0.001 0.000 0.257 147 N C -1.123 174.351 175.510 -0.061 0.000 0.969 147 N CA 0.997 54.023 53.050 -0.039 0.000 0.786 147 N CB -0.894 37.577 38.487 -0.027 0.000 0.917 147 N HN 0.487 nan 8.380 nan 0.000 0.541 148 D N -0.713 119.630 120.400 -0.095 0.000 2.317 148 D HA 0.200 4.840 4.640 0.001 0.000 0.234 148 D C -1.505 174.660 176.300 -0.225 0.000 1.112 148 D CA -2.253 51.652 54.000 -0.158 0.000 0.840 148 D CB 1.316 41.990 40.800 -0.211 0.000 1.078 148 D HN -0.069 nan 8.370 nan 0.000 0.486 149 P HA -0.185 nan 4.420 nan 0.000 0.218 149 P C 1.119 178.270 177.300 -0.248 0.000 1.152 149 P CA 1.427 64.424 63.100 -0.172 0.000 0.857 149 P CB 0.346 31.973 31.700 -0.122 0.000 0.787 150 K N -0.838 119.327 120.400 -0.392 0.000 2.160 150 K HA -0.146 4.174 4.320 0.001 0.000 0.206 150 K C 1.991 178.302 176.600 -0.482 0.000 1.047 150 K CA 0.954 56.931 56.287 -0.516 0.000 0.930 150 K CB -0.777 31.204 32.500 -0.866 0.000 0.720 150 K HN 0.104 nan 8.250 nan 0.000 0.450 151 L N 0.561 121.506 121.223 -0.463 0.000 2.043 151 L HA -0.278 4.062 4.340 0.001 0.000 0.212 151 L C 1.827 178.625 176.870 -0.120 0.000 1.075 151 L CA 1.579 56.277 54.840 -0.237 0.000 0.752 151 L CB -0.225 41.745 42.059 -0.148 0.000 0.891 151 L HN 0.162 nan 8.230 nan 0.000 0.432 152 K N -1.733 118.595 120.400 -0.119 0.000 2.432 152 K HA -0.009 4.311 4.320 0.001 0.000 0.196 152 K C 1.609 178.165 176.600 -0.073 0.000 1.038 152 K CA 0.848 57.089 56.287 -0.077 0.000 0.986 152 K CB 0.179 32.638 32.500 -0.069 0.000 0.782 152 K HN 0.252 nan 8.250 nan 0.000 0.485 153 T N 0.336 114.830 114.554 -0.101 0.000 3.151 153 T HA 0.017 4.367 4.350 0.001 0.000 0.239 153 T C 1.509 176.168 174.700 -0.067 0.000 0.979 153 T CA 0.402 62.453 62.100 -0.081 0.000 1.194 153 T CB 0.279 69.090 68.868 -0.095 0.000 0.982 153 T HN 0.089 nan 8.240 nan 0.000 0.428 154 Q N 0.003 119.755 119.800 -0.080 0.000 2.391 154 Q HA 0.479 4.819 4.340 0.001 0.000 0.211 154 Q C 1.034 177.042 176.000 0.013 0.000 0.908 154 Q CA 0.275 56.054 55.803 -0.041 0.000 0.920 154 Q CB 1.114 29.821 28.738 -0.051 0.000 1.056 154 Q HN 0.520 nan 8.270 nan 0.000 0.523 155 G N 0.345 109.190 108.800 0.075 0.000 2.373 155 G HA2 -0.044 3.916 3.960 0.001 0.000 0.250 155 G HA3 -0.044 3.916 3.960 0.001 0.000 0.250 155 G C -0.931 174.105 174.900 0.226 0.000 1.304 155 G CA -0.574 44.584 45.100 0.096 0.000 0.948 155 G HN -0.073 nan 8.290 nan 0.000 0.474 156 K N -0.796 119.688 120.400 0.139 0.000 2.355 156 K HA 0.466 4.787 4.320 0.001 0.000 0.198 156 K C 0.382 176.882 176.600 -0.166 0.000 1.039 156 K CA 0.753 57.115 56.287 0.125 0.000 1.075 156 K CB 0.213 32.724 32.500 0.018 0.000 0.870 156 K HN 1.028 nan 8.250 nan 0.000 0.540 157 c N -2.323 116.052 118.600 -0.376 0.000 3.249 157 c HA 0.519 5.090 4.570 0.001 0.000 0.350 157 c C -1.678 172.074 174.090 -0.563 0.000 1.431 157 c CA -1.346 54.450 56.329 -0.889 0.000 1.209 157 c CB 0.708 42.923 42.510 -0.491 0.000 1.546 157 c HN 0.004 nan 8.230 nan 0.000 0.450 158 M N 2.897 122.217 119.600 -0.467 0.000 2.125 158 M HA 0.447 4.927 4.480 0.001 0.000 0.321 158 M C -2.467 173.859 176.300 0.044 0.000 0.983 158 M CA -1.473 53.752 55.300 -0.125 0.000 0.934 158 M CB 1.804 34.438 32.600 0.057 0.000 1.542 158 M HN 0.559 nan 8.290 nan 0.000 0.424 159 P HA 0.004 nan 4.420 nan 0.000 0.264 159 P C -1.191 176.228 177.300 0.198 0.000 1.179 159 P CA 0.469 63.612 63.100 0.071 0.000 0.763 159 P CB 0.399 32.127 31.700 0.047 0.000 0.806 160 F N 3.274 123.137 119.950 -0.144 0.000 2.622 160 F HA 0.515 5.042 4.527 0.000 0.000 0.318 160 F C -1.934 173.760 175.800 -0.177 0.000 1.135 160 F CA -0.964 56.989 58.000 -0.078 0.000 1.015 160 F CB 0.970 39.891 39.000 -0.131 0.000 1.275 160 F HN 0.085 nan 8.300 nan 0.000 0.457 161 F N 3.885 123.670 119.950 -0.276 0.000 2.556 161 F HA 0.669 5.196 4.527 0.000 0.000 0.327 161 F C 0.254 176.011 175.800 -0.072 0.000 1.059 161 F CA -0.909 57.068 58.000 -0.038 0.000 0.953 161 F CB 1.667 40.619 39.000 -0.080 0.000 1.227 161 F HN 0.271 nan 8.300 nan 0.000 0.478 162 R N 0.915 121.621 120.500 0.344 0.000 2.441 162 R HA 0.603 4.943 4.340 0.001 0.000 0.284 162 R C -0.423 175.953 176.300 0.127 0.000 1.070 162 R CA -0.689 55.570 56.100 0.265 0.000 1.047 162 R CB 0.844 31.263 30.300 0.199 0.000 1.016 162 R HN 0.712 nan 8.270 nan 0.000 0.477 163 A N 1.956 124.826 122.820 0.082 0.000 2.450 163 A HA 0.316 4.637 4.320 0.001 0.000 0.255 163 A C 0.670 178.274 177.584 0.033 0.000 1.096 163 A CA -0.068 51.975 52.037 0.009 0.000 0.778 163 A CB 0.273 19.278 19.000 0.009 0.000 1.031 163 A HN 0.823 nan 8.150 nan 0.000 0.494 164 G N 1.150 109.914 108.800 -0.061 0.000 2.464 164 G HA2 0.366 4.326 3.960 0.001 0.000 0.231 164 G HA3 0.366 4.326 3.960 0.001 0.000 0.231 164 G C -0.180 174.708 174.900 -0.020 0.000 1.267 164 G CA 0.154 45.163 45.100 -0.151 0.000 0.863 164 G HN 0.808 nan 8.290 nan 0.000 0.559 165 F N 0.529 120.428 119.950 -0.086 0.000 2.613 165 F HA 0.693 5.220 4.527 0.000 0.000 0.342 165 F C 0.500 176.281 175.800 -0.031 0.000 1.066 165 F CA -1.853 56.112 58.000 -0.058 0.000 1.002 165 F CB 0.127 39.089 39.000 -0.062 0.000 1.319 165 F HN 0.561 nan 8.300 nan 0.000 0.495 166 V N -1.694 118.328 119.914 0.180 0.000 3.432 166 V HA 0.376 4.496 4.120 0.001 0.000 0.304 166 V C 0.585 176.721 176.094 0.070 0.000 1.107 166 V CA -1.033 61.318 62.300 0.084 0.000 1.153 166 V CB -0.128 31.755 31.823 0.101 0.000 1.072 166 V HN 1.395 nan 8.190 nan 0.000 0.485 167 c N -0.261 118.354 118.600 0.025 0.000 0.168 167 c HA -0.164 4.406 4.570 0.001 0.000 0.017 167 c C -0.428 173.621 174.090 -0.069 0.000 0.171 167 c CA 0.406 56.745 56.329 0.017 0.000 0.499 167 c CB -2.825 39.735 42.510 0.083 0.000 3.212 167 c HN 1.025 nan 8.230 nan 0.000 1.118 168 P HA 0.125 nan 4.420 nan 0.000 0.206 168 P C 1.027 178.076 177.300 -0.419 0.000 1.085 168 P CA 3.215 66.219 63.100 -0.160 0.000 0.746 168 P CB -0.054 31.604 31.700 -0.071 0.000 0.586 169 T N -9.669 104.568 114.554 -0.527 0.000 3.559 169 T HA 0.096 4.446 4.350 0.001 0.000 0.295 169 T C -2.508 172.036 174.700 -0.259 0.000 0.876 169 T CA -0.257 61.263 62.100 -0.967 0.000 0.922 169 T CB -1.817 66.687 68.868 -0.607 0.000 1.129 169 T HN 0.036 nan 8.240 nan 0.000 0.726 170 P HA 0.262 nan 4.420 nan 0.000 0.310 170 P C -2.311 175.210 177.300 0.368 0.000 1.309 170 P CA -0.580 62.599 63.100 0.132 0.000 0.753 170 P CB -0.648 31.085 31.700 0.054 0.000 1.491 171 P HA -0.139 nan 4.420 nan 0.000 0.190 171 P C -0.618 176.639 177.300 -0.071 0.000 1.226 171 P CA 0.524 63.706 63.100 0.138 0.000 0.849 171 P CB -1.870 29.834 31.700 0.007 0.000 1.620 172 Y N -0.759 119.623 120.300 0.137 0.000 3.275 172 Y HA -0.165 4.385 4.550 0.000 0.000 0.363 172 Y C 1.098 176.979 175.900 -0.030 0.000 1.216 172 Y CA -0.267 57.916 58.100 0.139 0.000 1.554 172 Y CB -0.823 37.631 38.460 -0.010 0.000 1.113 172 Y HN 0.411 nan 8.280 nan 0.000 0.625 173 Q N -0.337 119.488 119.800 0.042 0.000 2.433 173 Q HA 0.385 4.725 4.340 0.001 0.000 0.428 173 Q C 1.019 176.991 176.000 -0.046 0.000 0.530 173 Q CA -0.278 55.487 55.803 -0.062 0.000 0.985 173 Q CB 0.167 28.864 28.738 -0.068 0.000 1.040 173 Q HN 0.612 nan 8.270 nan 0.000 0.346 174 S N 0.369 116.049 115.700 -0.035 0.000 2.767 174 S HA -0.281 4.190 4.470 0.001 0.000 0.535 174 S C 0.751 175.342 174.600 -0.015 0.000 0.927 174 S CA 2.339 60.528 58.200 -0.018 0.000 3.369 174 S CB -1.352 61.852 63.200 0.006 0.000 2.336 174 S HN 0.484 nan 8.310 nan 0.000 0.547 175 L N 1.104 122.328 121.223 0.001 0.000 2.397 175 L HA 0.686 5.026 4.340 0.001 0.000 0.266 175 L C 0.245 177.120 176.870 0.009 0.000 1.040 175 L CA -0.107 54.738 54.840 0.008 0.000 0.800 175 L CB 0.578 42.652 42.059 0.026 0.000 1.324 175 L HN 0.501 nan 8.230 nan 0.000 0.469 176 A N 1.822 124.662 122.820 0.034 0.000 2.545 176 A HA 0.162 4.482 4.320 0.001 0.000 0.253 176 A C 0.128 177.779 177.584 0.112 0.000 1.074 176 A CA 0.016 52.105 52.037 0.087 0.000 0.760 176 A CB -0.329 18.722 19.000 0.085 0.000 1.005 176 A HN 0.676 nan 8.150 nan 0.000 0.506 177 R N 2.106 122.692 120.500 0.143 0.000 2.538 177 R HA 0.111 4.451 4.340 0.001 0.000 0.282 177 R C -1.091 175.317 176.300 0.181 0.000 1.009 177 R CA 0.791 56.945 56.100 0.089 0.000 1.063 177 R CB 0.197 30.401 30.300 -0.161 0.000 0.945 177 R HN 0.720 nan 8.270 nan 0.000 0.414 178 D N 4.065 124.549 120.400 0.140 0.000 2.696 178 D HA 0.108 4.749 4.640 0.001 0.000 0.251 178 D C -0.578 175.816 176.300 0.157 0.000 1.188 178 D CA -0.537 53.551 54.000 0.146 0.000 0.876 178 D CB 1.787 42.659 40.800 0.120 0.000 1.334 178 D HN 0.493 nan 8.370 nan 0.000 0.540 179 Q N 1.468 121.358 119.800 0.150 0.000 2.260 179 Q HA 0.447 4.788 4.340 0.001 0.000 0.242 179 Q C 0.449 176.515 176.000 0.109 0.000 0.932 179 Q CA -0.499 55.380 55.803 0.126 0.000 0.891 179 Q CB 1.644 30.414 28.738 0.052 0.000 1.222 179 Q HN 0.449 nan 8.270 nan 0.000 0.453 180 I N 1.724 122.326 120.570 0.054 0.000 2.662 180 I HA 0.059 4.229 4.170 0.001 0.000 0.291 180 I C 0.385 176.503 176.117 0.001 0.000 1.046 180 I CA -0.418 60.891 61.300 0.016 0.000 1.361 180 I CB 0.598 38.575 38.000 -0.038 0.000 1.429 180 I HN 0.569 nan 8.210 nan 0.000 0.558 181 N N 2.903 121.608 118.700 0.009 0.000 2.564 181 N HA 0.096 4.836 4.740 0.001 0.000 0.248 181 N C 0.355 175.877 175.510 0.019 0.000 0.986 181 N CA -0.460 52.600 53.050 0.017 0.000 0.921 181 N CB 1.160 39.665 38.487 0.030 0.000 1.136 181 N HN 0.561 nan 8.380 nan 0.000 0.509 182 S N 1.394 117.094 115.700 0.001 0.000 2.607 182 S HA 0.082 4.553 4.470 0.001 0.000 0.224 182 S C 0.796 175.460 174.600 0.107 0.000 0.969 182 S CA 0.209 58.426 58.200 0.027 0.000 0.927 182 S CB -0.753 62.425 63.200 -0.037 0.000 0.772 182 S HN 0.321 nan 8.310 nan 0.000 0.533 183 V N -1.539 118.448 119.914 0.122 0.000 3.181 183 V HA 0.854 4.974 4.120 0.001 0.000 0.314 183 V C -0.048 176.110 176.094 0.107 0.000 1.173 183 V CA -0.525 61.852 62.300 0.128 0.000 1.052 183 V CB 1.007 32.912 31.823 0.136 0.000 1.123 183 V HN 0.333 nan 8.190 nan 0.000 0.454 184 T N -1.581 113.050 114.554 0.128 0.000 2.829 184 T HA 0.385 4.735 4.350 0.001 0.000 0.282 184 T C 0.743 175.483 174.700 0.067 0.000 0.990 184 T CA 0.223 62.405 62.100 0.138 0.000 1.028 184 T CB 1.162 70.190 68.868 0.266 0.000 0.951 184 T HN 0.913 nan 8.240 nan 0.000 0.460 185 S N 1.950 117.575 115.700 -0.125 0.000 2.595 185 S HA 0.121 4.591 4.470 0.001 0.000 0.235 185 S C -0.079 174.347 174.600 -0.290 0.000 0.974 185 S CA 0.074 58.112 58.200 -0.271 0.000 0.942 185 S CB -0.789 62.156 63.200 -0.425 0.000 0.766 185 S HN 0.690 nan 8.310 nan 0.000 0.536 186 F N 0.602 120.640 119.950 0.146 0.000 2.422 186 F HA 0.387 4.914 4.527 0.001 0.000 0.333 186 F C 0.581 176.512 175.800 0.218 0.000 1.095 186 F CA -1.236 56.883 58.000 0.198 0.000 1.038 186 F CB 0.656 39.769 39.000 0.188 0.000 1.156 186 F HN -0.098 nan 8.300 nan 0.000 0.483 187 L N 3.722 125.231 121.223 0.476 0.000 2.530 187 L HA 0.018 4.358 4.340 0.001 0.000 0.247 187 L C 0.033 177.094 176.870 0.319 0.000 1.416 187 L CA 0.179 55.254 54.840 0.392 0.000 1.202 187 L CB -0.872 41.469 42.059 0.471 0.000 1.415 187 L HN 0.676 nan 8.230 nan 0.000 0.443 188 D N 0.674 121.249 120.400 0.292 0.000 2.559 188 D HA 0.144 4.785 4.640 0.001 0.000 0.234 188 D C 0.897 177.334 176.300 0.229 0.000 1.226 188 D CA 0.053 54.187 54.000 0.223 0.000 0.830 188 D CB 0.442 41.349 40.800 0.178 0.000 1.028 188 D HN 0.209 nan 8.370 nan 0.000 0.492 189 A N 0.851 123.807 122.820 0.226 0.000 2.704 189 A HA -0.234 4.086 4.320 0.001 0.000 0.299 189 A C 1.569 179.297 177.584 0.241 0.000 1.507 189 A CA 1.059 53.228 52.037 0.219 0.000 0.776 189 A CB -2.499 16.680 19.000 0.298 0.000 1.027 189 A HN 0.774 nan 8.150 nan 0.000 0.475 190 S N -1.025 114.798 115.700 0.206 0.000 2.660 190 S HA 0.198 4.668 4.470 0.001 0.000 0.223 190 S C 1.361 176.043 174.600 0.136 0.000 0.963 190 S CA 0.692 59.013 58.200 0.200 0.000 0.932 190 S CB -0.693 62.616 63.200 0.182 0.000 0.775 190 S HN 1.541 nan 8.310 nan 0.000 0.531 191 L N -2.538 118.741 121.223 0.093 0.000 2.513 191 L HA 0.415 4.755 4.340 0.001 0.000 0.222 191 L C 1.688 178.602 176.870 0.075 0.000 1.096 191 L CA 0.116 55.008 54.840 0.087 0.000 0.857 191 L CB -0.341 41.751 42.059 0.055 0.000 1.026 191 L HN 0.165 nan 8.230 nan 0.000 0.469 192 V N -0.710 119.165 119.914 -0.064 0.000 2.992 192 V HA -0.015 4.105 4.120 0.001 0.000 0.250 192 V C 1.547 177.347 176.094 -0.490 0.000 1.090 192 V CA 1.128 63.242 62.300 -0.309 0.000 1.101 192 V CB -0.226 31.263 31.823 -0.557 0.000 0.743 192 V HN 0.407 nan 8.190 nan 0.000 0.468 193 Y N 0.134 120.480 120.300 0.076 0.000 2.444 193 Y HA 0.597 5.148 4.550 0.001 0.000 0.252 193 Y C 1.274 177.221 175.900 0.079 0.000 1.091 193 Y CA 0.212 58.360 58.100 0.079 0.000 1.276 193 Y CB 0.529 39.038 38.460 0.081 0.000 1.170 193 Y HN 0.258 nan 8.280 nan 0.000 0.517 194 G N -0.201 108.709 108.800 0.183 0.000 2.603 194 G HA2 -0.111 3.849 3.960 0.001 0.000 0.686 194 G HA3 -0.111 3.849 3.960 0.001 0.000 0.686 194 G C 0.267 175.250 174.900 0.139 0.000 1.286 194 G CA -0.149 45.031 45.100 0.135 0.000 0.871 194 G HN -0.014 nan 8.290 nan 0.000 0.568 195 S N -0.145 115.622 115.700 0.112 0.000 2.632 195 S HA 0.274 4.745 4.470 0.001 0.000 0.237 195 S C 0.318 174.971 174.600 0.088 0.000 1.037 195 S CA 0.895 59.160 58.200 0.109 0.000 1.009 195 S CB 0.336 63.603 63.200 0.113 0.000 0.974 195 S HN 0.875 nan 8.310 nan 0.000 0.544 196 E N 0.812 121.057 120.200 0.075 0.000 2.220 196 E HA 0.410 4.760 4.350 0.001 0.000 0.256 196 E C -2.725 173.905 176.600 0.050 0.000 0.881 196 E CA -2.094 54.340 56.400 0.056 0.000 0.766 196 E CB 1.720 31.446 29.700 0.043 0.000 1.187 196 E HN -0.215 nan 8.360 nan 0.000 0.419 197 P HA -0.382 nan 4.420 nan 0.000 0.222 197 P C 1.048 178.361 177.300 0.021 0.000 1.155 197 P CA 2.328 65.449 63.100 0.035 0.000 0.890 197 P CB 0.080 31.796 31.700 0.027 0.000 0.790 198 S N -0.486 115.225 115.700 0.018 0.000 2.369 198 S HA -0.232 4.238 4.470 0.001 0.000 0.225 198 S C 1.813 176.419 174.600 0.010 0.000 1.043 198 S CA 1.766 59.972 58.200 0.010 0.000 1.074 198 S CB -1.531 61.676 63.200 0.010 0.000 0.962 198 S HN 0.116 nan 8.310 nan 0.000 0.433 199 L N 1.569 122.805 121.223 0.021 0.000 2.341 199 L HA 0.381 4.722 4.340 0.001 0.000 0.214 199 L C 2.277 179.166 176.870 0.031 0.000 1.115 199 L CA 1.075 55.929 54.840 0.024 0.000 0.820 199 L CB -0.907 41.171 42.059 0.032 0.000 0.944 199 L HN 0.290 nan 8.230 nan 0.000 0.452 200 A N -1.136 121.710 122.820 0.044 0.000 2.121 200 A HA -0.122 4.199 4.320 0.001 0.000 0.218 200 A C 2.449 180.035 177.584 0.003 0.000 1.154 200 A CA 1.433 53.512 52.037 0.069 0.000 0.679 200 A CB -0.669 18.395 19.000 0.107 0.000 0.795 200 A HN 0.606 nan 8.150 nan 0.000 0.458 201 S N -0.842 114.840 115.700 -0.030 0.000 2.456 201 S HA 0.012 4.482 4.470 0.001 0.000 0.224 201 S C 1.904 176.469 174.600 -0.058 0.000 1.035 201 S CA 0.459 58.612 58.200 -0.079 0.000 0.940 201 S CB -0.340 62.817 63.200 -0.072 0.000 0.799 201 S HN 0.549 nan 8.310 nan 0.000 0.508 202 R N 0.163 120.647 120.500 -0.027 0.000 2.127 202 R HA 0.085 4.425 4.340 0.001 0.000 0.238 202 R C 1.204 177.490 176.300 -0.022 0.000 1.134 202 R CA 1.142 57.230 56.100 -0.019 0.000 0.975 202 R CB -0.515 29.782 30.300 -0.005 0.000 0.865 202 R HN 0.332 nan 8.270 nan 0.000 0.447 203 L N 0.281 121.492 121.223 -0.020 0.000 2.622 203 L HA 0.024 4.365 4.340 0.001 0.000 0.233 203 L C 0.578 177.423 176.870 -0.043 0.000 1.156 203 L CA 1.116 55.942 54.840 -0.022 0.000 0.866 203 L CB -0.443 41.618 42.059 0.003 0.000 0.980 203 L HN -0.061 nan 8.230 nan 0.000 0.448 204 R N 0.258 120.719 120.500 -0.064 0.000 2.338 204 R HA 0.202 4.542 4.340 0.001 0.000 0.317 204 R C 0.097 176.362 176.300 -0.059 0.000 0.968 204 R CA -0.540 55.506 56.100 -0.090 0.000 0.849 204 R CB 0.679 30.869 30.300 -0.184 0.000 1.128 204 R HN -0.076 nan 8.270 nan 0.000 0.448 205 N N 4.740 123.420 118.700 -0.032 0.000 2.400 205 N HA -0.023 4.717 4.740 0.001 0.000 0.278 205 N C -0.402 175.093 175.510 -0.025 0.000 1.247 205 N CA 0.441 53.485 53.050 -0.010 0.000 0.970 205 N CB 0.425 38.924 38.487 0.019 0.000 1.312 205 N HN 0.590 nan 8.380 nan 0.000 0.488 206 L N 2.339 123.541 121.223 -0.035 0.000 3.141 206 L HA 0.145 4.485 4.340 0.001 0.000 0.267 206 L C 0.960 177.816 176.870 -0.022 0.000 1.281 206 L CA -0.073 54.741 54.840 -0.043 0.000 1.037 206 L CB 0.146 42.165 42.059 -0.066 0.000 1.407 206 L HN 0.441 nan 8.230 nan 0.000 0.566 207 S N -2.990 112.706 115.700 -0.007 0.000 2.549 207 S HA 0.110 4.580 4.470 0.001 0.000 0.225 207 S C 0.743 175.348 174.600 0.009 0.000 1.039 207 S CA -0.372 57.829 58.200 0.002 0.000 0.942 207 S CB 0.428 63.632 63.200 0.007 0.000 0.881 207 S HN 0.291 nan 8.310 nan 0.000 0.503 208 S N 3.010 118.718 115.700 0.012 0.000 2.462 208 S HA 0.538 5.009 4.470 0.001 0.000 0.294 208 S C -2.762 171.849 174.600 0.019 0.000 1.144 208 S CA -1.378 56.834 58.200 0.020 0.000 1.088 208 S CB 1.170 64.387 63.200 0.028 0.000 1.009 208 S HN 0.142 nan 8.310 nan 0.000 0.484 209 P HA 0.255 nan 4.420 nan 0.000 0.212 209 P C -0.288 177.033 177.300 0.036 0.000 1.816 209 P CA -0.350 62.765 63.100 0.024 0.000 0.944 209 P CB -0.823 30.891 31.700 0.024 0.000 1.896 210 L N -3.215 118.033 121.223 0.042 0.000 3.320 210 L HA 0.614 4.955 4.340 0.001 0.000 0.331 210 L C 0.442 177.359 176.870 0.078 0.000 1.306 210 L CA -0.636 54.238 54.840 0.057 0.000 0.892 210 L CB -0.073 42.016 42.059 0.051 0.000 1.337 210 L HN 0.060 nan 8.230 nan 0.000 0.604 211 G N 1.477 110.326 108.800 0.082 0.000 2.186 211 G HA2 -0.181 3.780 3.960 0.001 0.000 0.229 211 G HA3 -0.181 3.780 3.960 0.001 0.000 0.229 211 G C -0.578 174.462 174.900 0.233 0.000 0.553 211 G CA 0.696 45.883 45.100 0.146 0.000 1.032 211 G HN 0.442 nan 8.290 nan 0.000 0.354 212 L N 2.334 123.673 121.223 0.193 0.000 2.376 212 L HA 0.579 4.920 4.340 0.001 0.000 0.258 212 L C 0.304 177.243 176.870 0.116 0.000 1.013 212 L CA -1.516 53.460 54.840 0.227 0.000 0.822 212 L CB 1.817 43.958 42.059 0.136 0.000 1.388 212 L HN 0.264 nan 8.230 nan 0.000 0.413 213 M N 1.406 121.037 119.600 0.051 0.000 2.249 213 M HA 0.352 4.832 4.480 0.001 0.000 0.351 213 M C 0.257 176.540 176.300 -0.028 0.000 1.180 213 M CA -0.439 54.820 55.300 -0.069 0.000 1.127 213 M CB 1.133 33.623 32.600 -0.184 0.000 1.546 213 M HN 0.647 nan 8.290 nan 0.000 0.461 214 A N 3.179 125.975 122.820 -0.041 0.000 2.511 214 A HA 0.454 4.774 4.320 0.001 0.000 0.242 214 A C 0.079 177.631 177.584 -0.054 0.000 1.069 214 A CA -0.367 51.650 52.037 -0.034 0.000 0.763 214 A CB 0.016 18.996 19.000 -0.034 0.000 1.001 214 A HN 0.871 nan 8.150 nan 0.000 0.498 215 V N 1.538 121.420 119.914 -0.053 0.000 3.141 215 V HA 0.519 4.639 4.120 0.001 0.000 0.312 215 V C 0.022 176.020 176.094 -0.160 0.000 1.157 215 V CA -1.152 61.085 62.300 -0.106 0.000 1.041 215 V CB 1.615 33.394 31.823 -0.073 0.000 1.071 215 V HN 0.971 nan 8.190 nan 0.000 0.441 216 N N 1.593 120.116 118.700 -0.295 0.000 2.492 216 N HA 0.129 4.870 4.740 0.001 0.000 0.262 216 N C 0.264 175.485 175.510 -0.482 0.000 1.202 216 N CA -0.307 52.491 53.050 -0.419 0.000 0.926 216 N CB 0.690 38.810 38.487 -0.611 0.000 1.078 216 N HN 0.720 nan 8.380 nan 0.000 0.454 217 Q N 1.579 121.220 119.800 -0.265 0.000 2.281 217 Q HA 0.048 4.389 4.340 0.001 0.000 0.215 217 Q C 0.135 176.133 176.000 -0.003 0.000 0.867 217 Q CA 0.683 56.467 55.803 -0.032 0.000 0.940 217 Q CB 0.632 29.425 28.738 0.092 0.000 1.111 217 Q HN 0.717 nan 8.270 nan 0.000 0.513 218 E N -0.396 119.692 120.200 -0.185 0.000 2.526 218 E HA 0.357 4.707 4.350 0.001 0.000 0.208 218 E C -0.093 176.414 176.600 -0.156 0.000 0.997 218 E CA -0.088 56.291 56.400 -0.034 0.000 0.961 218 E CB 1.196 30.963 29.700 0.112 0.000 1.030 218 E HN 0.054 nan 8.360 nan 0.000 0.483 219 A N 0.749 123.207 122.820 -0.603 0.000 2.449 219 A HA 0.661 4.982 4.320 0.001 0.000 0.302 219 A C -1.951 175.121 177.584 -0.852 0.000 1.048 219 A CA -0.688 51.121 52.037 -0.381 0.000 0.708 219 A CB 0.970 19.921 19.000 -0.081 0.000 1.274 219 A HN 0.173 nan 8.150 nan 0.000 0.410 220 W N -0.308 121.114 121.300 0.203 0.000 3.032 220 W HA 0.630 5.290 4.660 0.001 0.000 0.341 220 W C -0.932 175.458 176.519 -0.215 0.000 1.202 220 W CA -0.145 57.157 57.345 -0.072 0.000 1.132 220 W CB 1.697 31.141 29.460 -0.027 0.000 1.465 220 W HN 0.595 nan 8.180 nan 0.000 0.576 221 D N -0.337 120.001 120.400 -0.104 0.000 2.517 221 D HA 0.213 4.854 4.640 0.001 0.000 0.263 221 D C -0.475 175.831 176.300 0.009 0.000 1.233 221 D CA -0.291 53.581 54.000 -0.214 0.000 0.849 221 D CB -0.646 39.830 40.800 -0.539 0.000 1.261 221 D HN 0.640 nan 8.370 nan 0.000 0.516 222 H N 1.099 120.221 119.070 0.086 0.000 2.839 222 H HA -0.175 4.381 4.556 0.001 0.000 0.298 222 H C 1.067 176.448 175.328 0.088 0.000 1.224 222 H CA 0.451 56.541 56.048 0.071 0.000 1.144 222 H CB -0.983 28.837 29.762 0.097 0.000 1.372 222 H HN 0.655 nan 8.280 nan 0.000 0.408 223 G N -0.286 108.606 108.800 0.153 0.000 2.147 223 G HA2 -0.294 3.667 3.960 0.001 0.000 0.244 223 G HA3 -0.294 3.667 3.960 0.001 0.000 0.244 223 G C 0.017 174.974 174.900 0.095 0.000 1.005 223 G CA 0.422 45.549 45.100 0.045 0.000 0.713 223 G HN 0.415 nan 8.290 nan 0.000 0.515 224 L N -0.400 120.896 121.223 0.123 0.000 2.341 224 L HA 0.846 5.187 4.340 0.001 0.000 0.267 224 L C 0.641 177.500 176.870 -0.018 0.000 1.009 224 L CA -0.747 54.111 54.840 0.031 0.000 0.819 224 L CB 2.040 44.074 42.059 -0.042 0.000 1.323 224 L HN 0.277 nan 8.230 nan 0.000 0.425 225 A N 1.502 124.285 122.820 -0.062 0.000 2.269 225 A HA 0.729 5.049 4.320 0.001 0.000 0.319 225 A C -1.384 175.996 177.584 -0.340 0.000 1.110 225 A CA -0.195 51.735 52.037 -0.178 0.000 0.847 225 A CB 0.668 19.637 19.000 -0.051 0.000 1.161 225 A HN 0.607 nan 8.150 nan 0.000 0.497 226 Y N -0.407 119.694 120.300 -0.331 0.000 2.598 226 Y HA 0.459 5.009 4.550 0.001 0.000 0.340 226 Y C -2.126 173.416 175.900 -0.596 0.000 1.038 226 Y CA -2.370 55.420 58.100 -0.517 0.000 1.100 226 Y CB 1.809 39.959 38.460 -0.517 0.000 1.281 226 Y HN 0.446 nan 8.280 nan 0.000 0.488 227 P HA 0.106 nan 4.420 nan 0.000 0.272 227 P C -2.667 174.439 177.300 -0.323 0.000 1.240 227 P CA -1.121 61.714 63.100 -0.441 0.000 0.791 227 P CB 0.137 31.552 31.700 -0.474 0.000 0.978 228 P HA 0.111 nan 4.420 nan 0.000 0.271 228 P C -0.536 176.798 177.300 0.058 0.000 1.216 228 P CA 0.178 63.209 63.100 -0.114 0.000 0.776 228 P CB 0.128 31.797 31.700 -0.051 0.000 0.881 229 F N 1.565 121.570 119.950 0.092 0.000 2.506 229 F HA 0.106 4.634 4.527 0.001 0.000 0.351 229 F C 1.463 177.293 175.800 0.051 0.000 1.136 229 F CA 0.050 58.107 58.000 0.096 0.000 1.298 229 F CB -0.355 38.669 39.000 0.040 0.000 1.145 229 F HN 0.290 nan 8.300 nan 0.000 0.593 230 N N 2.147 121.010 118.700 0.271 0.000 2.525 230 N HA 0.059 4.800 4.740 0.001 0.000 0.271 230 N C 0.710 176.269 175.510 0.081 0.000 1.194 230 N CA -0.026 53.102 53.050 0.129 0.000 0.964 230 N CB 0.484 39.022 38.487 0.085 0.000 1.126 230 N HN 0.445 nan 8.380 nan 0.000 0.452 231 N N 1.890 120.621 118.700 0.052 0.000 2.084 231 N HA -0.025 4.716 4.740 0.001 0.000 0.188 231 N C -0.085 175.425 175.510 -0.000 0.000 1.078 231 N CA 0.771 53.838 53.050 0.027 0.000 0.877 231 N CB -0.527 37.971 38.487 0.019 0.000 1.051 231 N HN 0.663 nan 8.380 nan 0.000 0.440 232 M N 1.559 121.153 119.600 -0.010 0.000 2.162 232 M HA -0.201 4.279 4.480 0.001 0.000 0.509 232 M C -0.407 175.868 176.300 -0.040 0.000 1.286 232 M CA 0.895 56.179 55.300 -0.027 0.000 0.642 232 M CB 0.362 32.942 32.600 -0.034 0.000 1.945 232 M HN 0.009 nan 8.290 nan 0.000 0.564 233 K N 5.793 126.166 120.400 -0.045 0.000 2.143 233 K HA 0.529 4.849 4.320 0.001 0.000 0.272 233 K C -2.064 174.495 176.600 -0.068 0.000 1.001 233 K CA -0.969 55.285 56.287 -0.054 0.000 0.915 233 K CB 0.906 33.378 32.500 -0.047 0.000 1.047 233 K HN 0.500 nan 8.250 nan 0.000 0.458 234 P HA -0.104 nan 4.420 nan 0.000 0.014 234 P C -1.120 176.108 177.300 -0.120 0.000 0.550 234 P CA 0.314 63.349 63.100 -0.108 0.000 1.035 234 P CB -0.704 30.920 31.700 -0.126 0.000 1.909 235 S N 0.498 116.145 115.700 -0.088 0.000 2.586 235 S HA 0.648 5.118 4.470 0.001 0.000 0.274 235 S C -0.746 173.818 174.600 -0.061 0.000 1.281 235 S CA -0.775 57.377 58.200 -0.081 0.000 1.035 235 S CB 1.519 64.684 63.200 -0.058 0.000 0.962 235 S HN 0.090 nan 8.310 nan 0.000 0.512 236 P HA 0.116 nan 4.420 nan 0.000 0.222 236 P C 1.149 178.536 177.300 0.145 0.000 1.157 236 P CA 0.398 63.519 63.100 0.035 0.000 0.816 236 P CB -0.382 31.244 31.700 -0.123 0.000 0.813 237 c N 0.646 119.308 118.600 0.105 0.000 2.400 237 c HA -0.073 4.497 4.570 0.001 0.000 0.291 237 c C 2.553 176.683 174.090 0.067 0.000 1.372 237 c CA 0.774 57.173 56.329 0.118 0.000 1.800 237 c CB -1.655 40.885 42.510 0.050 0.000 1.869 237 c HN 0.375 nan 8.230 nan 0.000 0.533 238 E N -0.407 119.823 120.200 0.050 0.000 2.060 238 E HA -0.083 4.267 4.350 0.001 0.000 0.189 238 E C 1.862 178.523 176.600 0.102 0.000 0.974 238 E CA 0.603 57.015 56.400 0.021 0.000 0.808 238 E CB -0.322 29.373 29.700 -0.008 0.000 0.768 238 E HN 0.600 nan 8.360 nan 0.000 0.453 239 F N 2.604 122.548 119.950 -0.009 0.000 2.043 239 F HA -0.310 4.217 4.527 0.000 0.000 0.297 239 F C 2.115 177.921 175.800 0.010 0.000 1.118 239 F CA 1.216 59.229 58.000 0.023 0.000 1.202 239 F CB -0.412 38.651 39.000 0.103 0.000 0.965 239 F HN -0.059 nan 8.300 nan 0.000 0.482 240 I N 0.106 120.713 120.570 0.062 0.000 2.130 240 I HA -0.379 3.791 4.170 0.001 0.000 0.241 240 I C 1.154 177.199 176.117 -0.120 0.000 1.023 240 I CA 1.905 63.162 61.300 -0.072 0.000 1.293 240 I CB -1.536 36.485 38.000 0.034 0.000 1.001 240 I HN 0.279 nan 8.210 nan 0.000 0.407 241 N N 0.620 119.246 118.700 -0.124 0.000 2.696 241 N HA 0.087 4.827 4.740 0.001 0.000 0.246 241 N C 0.810 176.162 175.510 -0.265 0.000 1.057 241 N CA 0.196 53.064 53.050 -0.303 0.000 0.867 241 N CB 1.118 39.164 38.487 -0.737 0.000 1.141 241 N HN 0.146 nan 8.380 nan 0.000 0.517 242 T N 0.401 114.826 114.554 -0.214 0.000 2.737 242 T HA -0.157 4.193 4.350 0.001 0.000 0.269 242 T C 1.669 176.272 174.700 -0.161 0.000 1.040 242 T CA 1.716 63.730 62.100 -0.143 0.000 1.142 242 T CB -0.230 68.567 68.868 -0.119 0.000 0.861 242 T HN 0.374 nan 8.240 nan 0.000 0.456 243 T N 2.172 116.598 114.554 -0.213 0.000 2.614 243 T HA 0.011 4.361 4.350 0.001 0.000 0.263 243 T C 2.534 177.098 174.700 -0.227 0.000 1.055 243 T CA 1.383 63.359 62.100 -0.206 0.000 1.162 243 T CB -0.922 67.807 68.868 -0.231 0.000 0.863 243 T HN 0.509 nan 8.240 nan 0.000 0.414 244 A N 1.037 123.649 122.820 -0.346 0.000 1.915 244 A HA -0.200 4.120 4.320 0.001 0.000 0.220 244 A C 1.280 178.744 177.584 -0.200 0.000 1.198 244 A CA 2.090 53.929 52.037 -0.329 0.000 0.647 244 A CB -0.657 18.004 19.000 -0.565 0.000 0.825 244 A HN 0.637 nan 8.150 nan 0.000 0.456 245 R N -2.394 117.992 120.500 -0.190 0.000 3.336 245 R HA -0.135 4.205 4.340 0.001 0.000 0.260 245 R C -1.030 175.153 176.300 -0.194 0.000 1.032 245 R CA 0.493 56.501 56.100 -0.154 0.000 0.693 245 R CB -2.274 27.952 30.300 -0.124 0.000 1.134 245 R HN 0.400 nan 8.270 nan 0.000 0.433 246 V N -0.148 119.646 119.914 -0.201 0.000 2.357 246 V HA 0.454 4.574 4.120 0.001 0.000 0.284 246 V C -1.110 174.761 176.094 -0.372 0.000 1.018 246 V CA -1.821 60.283 62.300 -0.327 0.000 0.841 246 V CB 1.452 33.192 31.823 -0.138 0.000 0.991 246 V HN 0.029 nan 8.190 nan 0.000 0.437 247 P HA 0.264 nan 4.420 nan 0.000 0.289 247 P C -0.182 176.942 177.300 -0.293 0.000 1.299 247 P CA -0.452 62.419 63.100 -0.381 0.000 0.766 247 P CB 0.893 32.370 31.700 -0.372 0.000 1.226 248 c N -0.783 117.745 118.600 -0.120 0.000 2.649 248 c HA 0.334 4.904 4.570 0.001 0.000 0.377 248 c C 0.923 175.059 174.090 0.076 0.000 1.321 248 c CA -0.192 56.099 56.329 -0.064 0.000 2.368 248 c CB -1.347 41.196 42.510 0.055 0.000 2.597 248 c HN 0.345 nan 8.230 nan 0.000 0.678 249 F N 0.805 120.823 119.950 0.113 0.000 2.370 249 F HA 0.401 4.928 4.527 0.001 0.000 0.324 249 F C 0.571 176.373 175.800 0.004 0.000 1.116 249 F CA -0.289 57.752 58.000 0.069 0.000 1.123 249 F CB 0.396 39.385 39.000 -0.018 0.000 1.238 249 F HN 0.494 nan 8.300 nan 0.000 0.536 250 Q N 1.218 121.136 119.800 0.198 0.000 2.331 250 Q HA 0.737 5.077 4.340 0.001 0.000 0.267 250 Q C -1.462 174.524 176.000 -0.024 0.000 1.006 250 Q CA -0.702 55.138 55.803 0.063 0.000 0.818 250 Q CB 2.013 30.791 28.738 0.067 0.000 1.276 250 Q HN 0.843 nan 8.270 nan 0.000 0.450 251 A N 1.809 124.581 122.820 -0.080 0.000 2.566 251 A HA 0.659 4.979 4.320 0.001 0.000 0.292 251 A C 0.709 178.260 177.584 -0.055 0.000 1.112 251 A CA -0.040 51.930 52.037 -0.112 0.000 0.707 251 A CB 0.854 19.688 19.000 -0.277 0.000 1.302 251 A HN 0.813 nan 8.150 nan 0.000 0.409 252 G N -0.404 108.387 108.800 -0.016 0.000 2.606 252 G HA2 -0.150 3.810 3.960 0.001 0.000 0.223 252 G HA3 -0.150 3.810 3.960 0.001 0.000 0.223 252 G C 0.390 175.308 174.900 0.030 0.000 1.106 252 G CA 1.859 46.976 45.100 0.028 0.000 0.745 252 G HN 0.950 nan 8.290 nan 0.000 0.597 253 D N -2.126 118.282 120.400 0.013 0.000 2.269 253 D HA 0.480 5.120 4.640 0.001 0.000 0.244 253 D C 1.278 177.519 176.300 -0.098 0.000 0.992 253 D CA -0.007 53.970 54.000 -0.037 0.000 0.894 253 D CB 1.554 42.353 40.800 -0.001 0.000 1.248 253 D HN -0.029 nan 8.370 nan 0.000 0.468 254 S N 1.691 117.298 115.700 -0.155 0.000 2.575 254 S HA 0.122 4.592 4.470 0.001 0.000 0.215 254 S C 1.147 175.663 174.600 -0.140 0.000 0.966 254 S CA -0.181 57.953 58.200 -0.112 0.000 0.911 254 S CB 0.078 63.263 63.200 -0.025 0.000 0.780 254 S HN 0.423 nan 8.310 nan 0.000 0.514 255 R N 0.771 121.132 120.500 -0.232 0.000 2.362 255 R HA 0.526 4.866 4.340 0.001 0.000 0.227 255 R C 2.088 178.378 176.300 -0.016 0.000 0.905 255 R CA 0.583 56.593 56.100 -0.150 0.000 1.067 255 R CB -0.561 29.547 30.300 -0.321 0.000 1.078 255 R HN 0.417 nan 8.270 nan 0.000 0.516 256 A N 0.290 123.080 122.820 -0.050 0.000 2.023 256 A HA -0.252 4.068 4.320 0.001 0.000 0.223 256 A C 1.855 179.441 177.584 0.002 0.000 1.180 256 A CA 2.254 54.221 52.037 -0.118 0.000 0.659 256 A CB -0.392 18.266 19.000 -0.570 0.000 0.817 256 A HN 0.265 nan 8.150 nan 0.000 0.466 257 S N -1.675 114.028 115.700 0.005 0.000 2.517 257 S HA 0.043 4.513 4.470 0.001 0.000 0.214 257 S C 1.604 176.061 174.600 -0.239 0.000 0.991 257 S CA 0.341 58.538 58.200 -0.005 0.000 0.906 257 S CB -0.042 63.229 63.200 0.118 0.000 0.789 257 S HN 0.666 nan 8.310 nan 0.000 0.513 258 E N 1.571 121.510 120.200 -0.435 0.000 2.132 258 E HA -0.264 4.086 4.350 0.001 0.000 0.218 258 E C 0.270 176.603 176.600 -0.444 0.000 1.058 258 E CA 1.663 57.546 56.400 -0.863 0.000 0.882 258 E CB 0.006 29.442 29.700 -0.440 0.000 0.774 258 E HN 0.673 nan 8.360 nan 0.000 0.467 259 Q N -1.158 118.558 119.800 -0.141 0.000 2.331 259 Q HA 0.337 4.678 4.340 0.001 0.000 0.272 259 Q C 0.699 176.689 176.000 -0.016 0.000 1.062 259 Q CA -0.218 55.581 55.803 -0.007 0.000 0.806 259 Q CB 1.100 29.905 28.738 0.113 0.000 1.312 259 Q HN 0.164 nan 8.270 nan 0.000 0.431 260 I N 1.102 121.649 120.570 -0.039 0.000 2.285 260 I HA -0.313 3.857 4.170 0.001 0.000 0.253 260 I C 0.479 176.607 176.117 0.019 0.000 1.104 260 I CA 1.458 62.739 61.300 -0.031 0.000 1.372 260 I CB 0.203 38.144 38.000 -0.100 0.000 1.057 260 I HN 0.794 nan 8.210 nan 0.000 0.431 261 L N -0.413 120.821 121.223 0.019 0.000 2.341 261 L HA -0.071 4.270 4.340 0.001 0.000 0.214 261 L C 1.960 178.867 176.870 0.062 0.000 1.115 261 L CA 1.240 56.108 54.840 0.046 0.000 0.820 261 L CB -0.907 41.176 42.059 0.040 0.000 0.944 261 L HN 0.303 nan 8.230 nan 0.000 0.452 262 L N -0.049 121.202 121.223 0.047 0.000 2.023 262 L HA -0.025 4.315 4.340 0.001 0.000 0.205 262 L C 2.541 179.514 176.870 0.172 0.000 1.073 262 L CA 1.981 56.854 54.840 0.055 0.000 0.745 262 L CB -0.957 41.116 42.059 0.024 0.000 0.900 262 L HN 0.177 nan 8.230 nan 0.000 0.435 263 A N -1.446 121.487 122.820 0.187 0.000 1.948 263 A HA -0.255 4.066 4.320 0.001 0.000 0.220 263 A C 2.245 179.979 177.584 0.250 0.000 1.177 263 A CA 2.458 54.660 52.037 0.274 0.000 0.636 263 A CB -1.289 17.896 19.000 0.307 0.000 0.815 263 A HN 0.547 nan 8.150 nan 0.000 0.449 264 T N -0.069 114.596 114.554 0.186 0.000 2.674 264 T HA -0.136 4.214 4.350 0.001 0.000 0.265 264 T C 1.845 176.642 174.700 0.162 0.000 1.039 264 T CA 1.893 64.090 62.100 0.162 0.000 1.150 264 T CB -0.573 68.375 68.868 0.133 0.000 0.864 264 T HN 0.273 nan 8.240 nan 0.000 0.427 265 V N 0.869 120.883 119.914 0.166 0.000 2.759 265 V HA -0.124 3.997 4.120 0.001 0.000 0.256 265 V C 2.267 178.437 176.094 0.127 0.000 1.080 265 V CA 1.260 63.674 62.300 0.191 0.000 1.101 265 V CB -0.866 31.076 31.823 0.199 0.000 0.698 265 V HN 0.552 nan 8.190 nan 0.000 0.477 266 H N 0.635 119.745 119.070 0.067 0.000 2.457 266 H HA -0.074 4.483 4.556 0.001 0.000 0.294 266 H C 2.409 177.722 175.328 -0.025 0.000 1.064 266 H CA 1.881 57.938 56.048 0.016 0.000 1.330 266 H CB 0.069 29.835 29.762 0.006 0.000 1.395 266 H HN 0.416 nan 8.280 nan 0.000 0.541 267 T N 0.702 115.316 114.554 0.100 0.000 2.896 267 T HA -0.053 4.297 4.350 0.001 0.000 0.263 267 T C 2.121 176.828 174.700 0.012 0.000 1.050 267 T CA 0.225 62.326 62.100 0.001 0.000 1.140 267 T CB 0.017 68.886 68.868 0.003 0.000 0.877 267 T HN 0.034 nan 8.240 nan 0.000 0.457 268 L N 1.120 122.376 121.223 0.055 0.000 2.017 268 L HA 0.065 4.406 4.340 0.001 0.000 0.208 268 L C 2.312 179.205 176.870 0.038 0.000 1.073 268 L CA 1.449 56.307 54.840 0.030 0.000 0.745 268 L CB -1.069 41.029 42.059 0.065 0.000 0.894 268 L HN 0.270 nan 8.230 nan 0.000 0.432 269 L N -1.463 119.819 121.223 0.098 0.000 2.046 269 L HA -0.221 4.119 4.340 0.001 0.000 0.208 269 L C 2.488 179.378 176.870 0.032 0.000 1.077 269 L CA 0.752 55.650 54.840 0.098 0.000 0.747 269 L CB -0.688 41.435 42.059 0.106 0.000 0.896 269 L HN 0.281 nan 8.230 nan 0.000 0.432 270 L N 0.204 121.430 121.223 0.004 0.000 2.046 270 L HA -0.182 4.159 4.340 0.001 0.000 0.208 270 L C 2.733 179.608 176.870 0.008 0.000 1.077 270 L CA 1.701 56.524 54.840 -0.029 0.000 0.747 270 L CB -0.591 41.429 42.059 -0.066 0.000 0.896 270 L HN 0.086 nan 8.230 nan 0.000 0.432 271 R N -0.585 119.906 120.500 -0.015 0.000 2.081 271 R HA -0.194 4.146 4.340 0.001 0.000 0.235 271 R C 2.177 178.463 176.300 -0.024 0.000 1.131 271 R CA 1.371 57.456 56.100 -0.026 0.000 0.960 271 R CB -0.393 29.871 30.300 -0.060 0.000 0.856 271 R HN 0.344 nan 8.270 nan 0.000 0.436 272 E N 0.186 120.360 120.200 -0.044 0.000 2.204 272 E HA -0.208 4.143 4.350 0.001 0.000 0.195 272 E C 1.594 178.160 176.600 -0.056 0.000 0.990 272 E CA 1.396 57.736 56.400 -0.100 0.000 0.821 272 E CB -0.132 29.459 29.700 -0.183 0.000 0.750 272 E HN 0.421 nan 8.360 nan 0.000 0.477 273 H N 0.075 119.119 119.070 -0.044 0.000 2.270 273 H HA -0.062 4.494 4.556 0.001 0.000 0.299 273 H C 1.721 177.047 175.328 -0.004 0.000 1.077 273 H CA 2.346 58.401 56.048 0.012 0.000 1.294 273 H CB -0.087 29.718 29.762 0.071 0.000 1.371 273 H HN 0.136 nan 8.280 nan 0.000 0.491 274 N N 0.573 119.361 118.700 0.147 0.000 2.043 274 N HA -0.210 4.530 4.740 0.001 0.000 0.193 274 N C 2.151 177.639 175.510 -0.037 0.000 1.037 274 N CA 1.563 54.656 53.050 0.072 0.000 0.851 274 N CB -0.583 37.958 38.487 0.091 0.000 1.027 274 N HN 0.511 nan 8.380 nan 0.000 0.422 275 R N 0.757 121.219 120.500 -0.063 0.000 2.119 275 R HA -0.138 4.202 4.340 0.001 0.000 0.246 275 R C 1.806 178.031 176.300 -0.124 0.000 1.146 275 R CA 1.359 57.403 56.100 -0.093 0.000 0.962 275 R CB -0.450 29.779 30.300 -0.120 0.000 0.863 275 R HN 0.058 nan 8.270 nan 0.000 0.442 276 L N 0.741 121.860 121.223 -0.172 0.000 2.056 276 L HA -0.001 4.339 4.340 0.001 0.000 0.207 276 L C 2.648 179.402 176.870 -0.193 0.000 1.078 276 L CA 2.054 56.762 54.840 -0.220 0.000 0.749 276 L CB -0.801 41.086 42.059 -0.285 0.000 0.901 276 L HN 0.416 nan 8.230 nan 0.000 0.433 277 A N -0.907 121.793 122.820 -0.200 0.000 1.855 277 A HA -0.203 4.117 4.320 0.001 0.000 0.215 277 A C 2.473 180.032 177.584 -0.040 0.000 1.191 277 A CA 1.517 53.482 52.037 -0.120 0.000 0.613 277 A CB -0.507 18.436 19.000 -0.095 0.000 0.829 277 A HN 0.284 nan 8.150 nan 0.000 0.442 278 R N -0.716 119.764 120.500 -0.034 0.000 2.094 278 R HA -0.221 4.119 4.340 0.001 0.000 0.239 278 R C 2.308 178.590 176.300 -0.029 0.000 1.137 278 R CA 1.955 58.044 56.100 -0.017 0.000 0.943 278 R CB -0.305 29.984 30.300 -0.019 0.000 0.850 278 R HN 0.613 nan 8.270 nan 0.000 0.433 279 E N 0.664 120.831 120.200 -0.055 0.000 2.013 279 E HA -0.205 4.145 4.350 0.001 0.000 0.202 279 E C 1.902 178.473 176.600 -0.048 0.000 1.018 279 E CA 1.691 58.054 56.400 -0.061 0.000 0.834 279 E CB -0.453 29.191 29.700 -0.095 0.000 0.770 279 E HN 0.257 nan 8.360 nan 0.000 0.459 280 L N 0.355 121.550 121.223 -0.045 0.000 2.021 280 L HA -0.301 4.039 4.340 0.001 0.000 0.215 280 L C 2.551 179.422 176.870 0.001 0.000 1.074 280 L CA 1.993 56.833 54.840 0.001 0.000 0.760 280 L CB -0.896 41.223 42.059 0.100 0.000 0.889 280 L HN 0.201 nan 8.230 nan 0.000 0.433 281 K N 1.660 122.078 120.400 0.031 0.000 2.044 281 K HA -0.250 4.071 4.320 0.001 0.000 0.210 281 K C 2.086 178.673 176.600 -0.021 0.000 1.049 281 K CA 2.201 58.505 56.287 0.029 0.000 0.927 281 K CB -0.431 32.092 32.500 0.038 0.000 0.713 281 K HN 0.423 nan 8.250 nan 0.000 0.443 282 R N 0.159 120.644 120.500 -0.025 0.000 2.120 282 R HA -0.040 4.300 4.340 0.001 0.000 0.234 282 R C 2.289 178.560 176.300 -0.048 0.000 1.123 282 R CA 1.635 57.717 56.100 -0.029 0.000 0.975 282 R CB -0.571 29.714 30.300 -0.025 0.000 0.866 282 R HN 0.317 nan 8.270 nan 0.000 0.446 283 L N 0.253 121.432 121.223 -0.073 0.000 2.162 283 L HA 0.063 4.404 4.340 0.001 0.000 0.205 283 L C -0.013 176.751 176.870 -0.176 0.000 1.086 283 L CA 0.735 55.517 54.840 -0.096 0.000 0.778 283 L CB 0.084 42.093 42.059 -0.083 0.000 0.928 283 L HN 0.267 nan 8.230 nan 0.000 0.446 284 N N -0.593 117.925 118.700 -0.304 0.000 3.012 284 N HA 0.172 4.912 4.740 0.001 0.000 0.270 284 N C -2.071 173.176 175.510 -0.440 0.000 1.469 284 N CA -1.337 51.344 53.050 -0.615 0.000 0.928 284 N CB 0.978 38.609 38.487 -1.426 0.000 1.219 284 N HN -0.080 nan 8.380 nan 0.000 0.492 285 P HA -0.223 nan 4.420 nan 0.000 0.215 285 P C 1.202 178.499 177.300 -0.006 0.000 1.157 285 P CA 1.456 64.537 63.100 -0.032 0.000 0.874 285 P CB 0.023 31.752 31.700 0.047 0.000 0.790 286 H N -3.679 115.419 119.070 0.047 0.000 2.545 286 H HA -0.071 4.486 4.556 0.001 0.000 0.282 286 H C 0.289 175.778 175.328 0.269 0.000 1.020 286 H CA 0.173 56.294 56.048 0.121 0.000 1.243 286 H CB -1.189 28.634 29.762 0.100 0.000 1.377 286 H HN 0.125 nan 8.280 nan 0.000 0.581 287 W N 3.655 124.689 121.300 -0.445 0.000 2.223 287 W HA 0.102 4.763 4.660 0.001 0.000 0.334 287 W C 0.436 176.913 176.519 -0.069 0.000 1.334 287 W CA -0.355 56.858 57.345 -0.219 0.000 1.246 287 W CB 0.039 29.371 29.460 -0.213 0.000 1.184 287 W HN 0.302 nan 8.180 nan 0.000 0.563 288 D N 0.933 121.401 120.400 0.113 0.000 2.253 288 D HA 0.381 5.022 4.640 0.001 0.000 0.249 288 D C 1.536 177.843 176.300 0.012 0.000 1.049 288 D CA 0.102 54.134 54.000 0.052 0.000 0.929 288 D CB 1.327 42.145 40.800 0.030 0.000 1.176 288 D HN 0.407 nan 8.370 nan 0.000 0.437 289 G N 2.125 110.939 108.800 0.024 0.000 2.766 289 G HA2 -0.461 3.500 3.960 0.001 0.000 0.222 289 G HA3 -0.461 3.500 3.960 0.001 0.000 0.222 289 G C 1.286 176.190 174.900 0.007 0.000 1.225 289 G CA 1.535 46.648 45.100 0.022 0.000 0.784 289 G HN 0.680 nan 8.290 nan 0.000 0.631 290 E N 0.454 120.640 120.200 -0.022 0.000 2.114 290 E HA -0.202 4.149 4.350 0.001 0.000 0.199 290 E C 2.323 178.863 176.600 -0.101 0.000 1.008 290 E CA 1.970 58.352 56.400 -0.030 0.000 0.810 290 E CB -0.273 29.399 29.700 -0.046 0.000 0.739 290 E HN 0.461 nan 8.360 nan 0.000 0.456 291 K N -0.298 119.993 120.400 -0.182 0.000 2.057 291 K HA -0.098 4.223 4.320 0.001 0.000 0.207 291 K C 1.928 178.307 176.600 -0.368 0.000 1.049 291 K CA 1.242 57.301 56.287 -0.381 0.000 0.931 291 K CB -0.388 31.770 32.500 -0.569 0.000 0.714 291 K HN 0.129 nan 8.250 nan 0.000 0.440 292 L N 0.337 121.467 121.223 -0.155 0.000 1.976 292 L HA -0.188 4.152 4.340 0.001 0.000 0.209 292 L C 2.380 179.216 176.870 -0.056 0.000 1.071 292 L CA 1.977 56.798 54.840 -0.031 0.000 0.746 292 L CB -1.667 40.435 42.059 0.071 0.000 0.890 292 L HN 0.312 nan 8.230 nan 0.000 0.432 293 Y N 1.300 121.534 120.300 -0.109 0.000 2.132 293 Y HA -0.311 4.239 4.550 0.001 0.000 0.280 293 Y C 2.628 178.418 175.900 -0.184 0.000 1.193 293 Y CA 2.036 60.104 58.100 -0.055 0.000 1.157 293 Y CB -0.169 38.254 38.460 -0.062 0.000 0.966 293 Y HN 0.359 nan 8.280 nan 0.000 0.511 294 Q N -1.041 118.438 119.800 -0.535 0.000 2.339 294 Q HA -0.068 4.272 4.340 0.001 0.000 0.205 294 Q C 1.945 177.579 176.000 -0.610 0.000 0.925 294 Q CA 0.603 55.908 55.803 -0.829 0.000 0.898 294 Q CB 0.090 28.158 28.738 -1.117 0.000 1.013 294 Q HN 0.467 nan 8.270 nan 0.000 0.504 295 E N 1.097 121.053 120.200 -0.407 0.000 2.152 295 E HA -0.083 4.267 4.350 0.001 0.000 0.192 295 E C 1.787 178.351 176.600 -0.061 0.000 0.983 295 E CA 0.870 57.236 56.400 -0.056 0.000 0.818 295 E CB 0.121 29.856 29.700 0.058 0.000 0.758 295 E HN 0.299 nan 8.360 nan 0.000 0.467 296 A N 1.317 124.017 122.820 -0.201 0.000 1.854 296 A HA -0.159 4.161 4.320 0.001 0.000 0.214 296 A C 2.214 179.691 177.584 -0.179 0.000 1.192 296 A CA 1.565 53.447 52.037 -0.257 0.000 0.611 296 A CB -0.517 18.203 19.000 -0.467 0.000 0.832 296 A HN 0.166 nan 8.150 nan 0.000 0.442 297 R N -0.075 120.243 120.500 -0.303 0.000 2.139 297 R HA -0.206 4.134 4.340 0.001 0.000 0.243 297 R C 2.106 178.327 176.300 -0.131 0.000 1.145 297 R CA 2.123 57.983 56.100 -0.400 0.000 0.976 297 R CB -0.234 29.415 30.300 -1.083 0.000 0.866 297 R HN 0.523 nan 8.270 nan 0.000 0.449 298 K N 0.093 120.454 120.400 -0.064 0.000 2.031 298 K HA -0.046 4.274 4.320 0.001 0.000 0.205 298 K C 1.993 178.789 176.600 0.327 0.000 1.049 298 K CA 1.165 57.542 56.287 0.151 0.000 0.939 298 K CB 0.039 32.652 32.500 0.187 0.000 0.717 298 K HN 0.083 nan 8.250 nan 0.000 0.438 299 I N 1.564 122.269 120.570 0.225 0.000 2.118 299 I HA -0.289 3.881 4.170 0.001 0.000 0.241 299 I C 2.371 178.537 176.117 0.082 0.000 1.070 299 I CA 1.129 62.497 61.300 0.113 0.000 1.327 299 I CB -1.156 36.730 38.000 -0.190 0.000 1.034 299 I HN 0.282 nan 8.210 nan 0.000 0.405 300 L N 1.462 122.743 121.223 0.097 0.000 2.042 300 L HA -0.114 4.227 4.340 0.001 0.000 0.210 300 L C 2.449 179.503 176.870 0.307 0.000 1.076 300 L CA 2.298 57.260 54.840 0.204 0.000 0.749 300 L CB -1.195 41.027 42.059 0.273 0.000 0.893 300 L HN 0.234 nan 8.230 nan 0.000 0.432 301 G N -1.402 107.547 108.800 0.249 0.000 2.402 301 G HA2 -0.227 3.734 3.960 0.001 0.000 0.216 301 G HA3 -0.227 3.734 3.960 0.001 0.000 0.216 301 G C 1.631 176.603 174.900 0.120 0.000 1.162 301 G CA 0.745 45.974 45.100 0.214 0.000 0.777 301 G HN 0.630 nan 8.290 nan 0.000 0.539 302 A N 0.600 123.476 122.820 0.093 0.000 1.948 302 A HA -0.047 4.273 4.320 0.001 0.000 0.220 302 A C 2.141 179.544 177.584 -0.303 0.000 1.177 302 A CA 1.787 53.707 52.037 -0.194 0.000 0.636 302 A CB -0.598 18.223 19.000 -0.299 0.000 0.815 302 A HN 0.456 nan 8.150 nan 0.000 0.449 303 F N 1.233 121.055 119.950 -0.214 0.000 2.046 303 F HA -0.181 4.346 4.527 0.000 0.000 0.297 303 F C 1.949 177.735 175.800 -0.023 0.000 1.123 303 F CA 1.835 59.743 58.000 -0.153 0.000 1.199 303 F CB -0.398 38.568 39.000 -0.056 0.000 0.972 303 F HN 0.206 nan 8.300 nan 0.000 0.474 304 I N -0.006 120.503 120.570 -0.102 0.000 2.700 304 I HA -0.264 3.906 4.170 0.001 0.000 0.261 304 I C 1.987 178.173 176.117 0.115 0.000 1.219 304 I CA 1.191 62.505 61.300 0.024 0.000 1.463 304 I CB -0.880 37.246 38.000 0.211 0.000 1.092 304 I HN 0.398 nan 8.210 nan 0.000 0.452 305 Q N 0.529 120.310 119.800 -0.032 0.000 2.302 305 Q HA 0.073 4.413 4.340 0.001 0.000 0.202 305 Q C 2.303 178.322 176.000 0.031 0.000 0.936 305 Q CA 0.793 56.601 55.803 0.008 0.000 0.886 305 Q CB 0.375 28.855 28.738 -0.430 0.000 0.986 305 Q HN 0.523 nan 8.270 nan 0.000 0.487 306 I N -0.058 120.365 120.570 -0.245 0.000 2.480 306 I HA -0.159 4.011 4.170 0.001 0.000 0.251 306 I C 1.656 177.753 176.117 -0.033 0.000 1.124 306 I CA 0.372 61.558 61.300 -0.189 0.000 1.444 306 I CB 0.010 37.734 38.000 -0.460 0.000 1.098 306 I HN 0.194 nan 8.210 nan 0.000 0.428 307 I N 0.764 121.239 120.570 -0.158 0.000 2.202 307 I HA -0.201 3.969 4.170 0.001 0.000 0.242 307 I C 2.582 178.705 176.117 0.010 0.000 1.091 307 I CA 1.714 62.901 61.300 -0.189 0.000 1.368 307 I CB -1.524 36.080 38.000 -0.661 0.000 1.058 307 I HN 0.189 nan 8.210 nan 0.000 0.410 308 T N 0.846 115.515 114.554 0.192 0.000 2.746 308 T HA -0.150 4.201 4.350 0.001 0.000 0.267 308 T C 1.629 176.502 174.700 0.288 0.000 1.039 308 T CA 1.539 63.868 62.100 0.382 0.000 1.142 308 T CB -0.244 68.928 68.868 0.508 0.000 0.866 308 T HN 0.099 nan 8.240 nan 0.000 0.444 309 F N 0.151 120.230 119.950 0.216 0.000 2.714 309 F HA 0.355 4.882 4.527 0.000 0.000 0.294 309 F C 2.317 178.231 175.800 0.190 0.000 1.120 309 F CA -0.035 58.102 58.000 0.230 0.000 1.398 309 F CB 0.080 39.333 39.000 0.421 0.000 1.120 309 F HN -0.067 nan 8.300 nan 0.000 0.589 310 R N -0.213 120.479 120.500 0.320 0.000 2.142 310 R HA 0.017 4.358 4.340 0.001 0.000 0.204 310 R C 0.996 177.385 176.300 0.149 0.000 1.059 310 R CA 1.077 57.313 56.100 0.227 0.000 1.055 310 R CB 0.109 30.534 30.300 0.208 0.000 0.976 310 R HN 0.043 nan 8.270 nan 0.000 0.483 311 D N -0.839 119.652 120.400 0.152 0.000 2.394 311 D HA -0.054 4.586 4.640 0.001 0.000 0.226 311 D C 1.176 177.487 176.300 0.019 0.000 0.990 311 D CA 0.667 54.771 54.000 0.174 0.000 0.902 311 D CB -0.001 41.017 40.800 0.363 0.000 1.038 311 D HN 0.185 nan 8.370 nan 0.000 0.499 312 Y N 0.934 121.128 120.300 -0.177 0.000 2.389 312 Y HA 0.191 4.742 4.550 0.001 0.000 0.292 312 Y C 1.939 177.744 175.900 -0.158 0.000 1.117 312 Y CA 0.723 58.644 58.100 -0.299 0.000 1.195 312 Y CB 0.036 38.376 38.460 -0.201 0.000 1.076 312 Y HN -0.202 nan 8.280 nan 0.000 0.548 313 L N 0.139 121.279 121.223 -0.138 0.000 2.270 313 L HA 0.023 4.364 4.340 0.001 0.000 0.210 313 L C -0.935 175.795 176.870 -0.233 0.000 1.104 313 L CA 0.088 54.755 54.840 -0.288 0.000 0.804 313 L CB -1.115 40.679 42.059 -0.442 0.000 0.937 313 L HN 0.116 nan 8.230 nan 0.000 0.450 314 P HA -0.195 nan 4.420 nan 0.000 0.215 314 P C 1.620 178.838 177.300 -0.138 0.000 1.157 314 P CA 1.616 64.657 63.100 -0.098 0.000 0.874 314 P CB -0.095 31.574 31.700 -0.052 0.000 0.790 315 I N -4.760 115.691 120.570 -0.199 0.000 3.605 315 I HA 0.014 4.184 4.170 0.001 0.000 0.301 315 I C 1.073 177.064 176.117 -0.210 0.000 1.267 315 I CA 0.515 61.680 61.300 -0.226 0.000 1.236 315 I CB -0.350 37.472 38.000 -0.298 0.000 1.010 315 I HN -0.212 nan 8.210 nan 0.000 0.491 316 V N 0.234 120.016 119.914 -0.220 0.000 2.735 316 V HA 0.045 4.166 4.120 0.001 0.000 0.234 316 V C 1.961 177.957 176.094 -0.164 0.000 1.121 316 V CA 0.521 62.711 62.300 -0.184 0.000 1.160 316 V CB 0.000 31.672 31.823 -0.252 0.000 0.908 316 V HN 0.270 nan 8.190 nan 0.000 0.495 317 L N 0.972 122.115 121.223 -0.133 0.000 2.376 317 L HA 0.253 4.594 4.340 0.001 0.000 0.219 317 L C 1.880 178.728 176.870 -0.038 0.000 1.133 317 L CA 1.631 56.431 54.840 -0.066 0.000 0.816 317 L CB -1.891 40.160 42.059 -0.014 0.000 0.933 317 L HN 0.514 nan 8.230 nan 0.000 0.449 318 G N 0.307 109.068 108.800 -0.065 0.000 2.665 318 G HA2 -0.457 3.504 3.960 0.001 0.000 0.326 318 G HA3 -0.457 3.504 3.960 0.001 0.000 0.326 318 G C 1.128 176.018 174.900 -0.016 0.000 1.231 318 G CA 1.339 46.408 45.100 -0.051 0.000 0.992 318 G HN 0.483 nan 8.290 nan 0.000 0.549 319 S N 0.466 116.164 115.700 -0.005 0.000 2.603 319 S HA 0.275 4.746 4.470 0.001 0.000 0.220 319 S C 1.241 175.864 174.600 0.038 0.000 0.967 319 S CA 1.449 59.655 58.200 0.009 0.000 0.920 319 S CB 0.428 63.629 63.200 0.002 0.000 0.773 319 S HN 0.584 nan 8.310 nan 0.000 0.529 320 E N 0.221 120.465 120.200 0.073 0.000 2.501 320 E HA 0.260 4.610 4.350 0.001 0.000 0.200 320 E C 1.013 177.750 176.600 0.229 0.000 1.016 320 E CA -0.140 56.357 56.400 0.161 0.000 0.921 320 E CB 0.171 30.010 29.700 0.231 0.000 1.034 320 E HN 0.619 nan 8.360 nan 0.000 0.468 321 M N 0.355 120.035 119.600 0.133 0.000 2.134 321 M HA -0.137 4.343 4.480 0.001 0.000 0.262 321 M C 1.972 178.346 176.300 0.124 0.000 1.076 321 M CA 1.519 56.904 55.300 0.142 0.000 1.143 321 M CB 0.209 32.853 32.600 0.074 0.000 1.346 321 M HN -0.059 nan 8.290 nan 0.000 0.421 322 Q N 0.240 120.080 119.800 0.067 0.000 2.152 322 Q HA -0.281 4.060 4.340 0.001 0.000 0.206 322 Q C 1.984 177.978 176.000 -0.010 0.000 0.985 322 Q CA 2.031 57.854 55.803 0.035 0.000 0.863 322 Q CB -0.471 28.275 28.738 0.012 0.000 0.904 322 Q HN 0.540 nan 8.270 nan 0.000 0.422 323 K N -0.093 120.277 120.400 -0.051 0.000 2.057 323 K HA -0.168 4.152 4.320 0.001 0.000 0.206 323 K C 1.194 177.575 176.600 -0.364 0.000 1.050 323 K CA 1.350 57.490 56.287 -0.244 0.000 0.935 323 K CB 0.012 32.318 32.500 -0.323 0.000 0.715 323 K HN 0.266 nan 8.250 nan 0.000 0.439 324 W N 0.401 121.716 121.300 0.024 0.000 2.735 324 W HA 0.310 4.970 4.660 0.001 0.000 0.264 324 W C 0.578 177.133 176.519 0.059 0.000 1.233 324 W CA -0.361 57.006 57.345 0.037 0.000 1.408 324 W CB 0.627 30.119 29.460 0.053 0.000 1.038 324 W HN -0.176 nan 8.180 nan 0.000 0.603 325 I N 3.311 124.044 120.570 0.273 0.000 2.661 325 I HA 0.170 4.340 4.170 0.001 0.000 0.292 325 I C -1.874 174.341 176.117 0.163 0.000 1.189 325 I CA -1.753 59.685 61.300 0.231 0.000 1.123 325 I CB -0.395 37.754 38.000 0.249 0.000 1.709 325 I HN -0.421 nan 8.210 nan 0.000 0.566 326 P HA -0.043 nan 4.420 nan 0.000 0.269 326 P C -0.348 177.013 177.300 0.101 0.000 1.205 326 P CA -0.224 62.919 63.100 0.071 0.000 0.780 326 P CB 0.504 32.222 31.700 0.031 0.000 0.858 327 R N 0.577 121.129 120.500 0.086 0.000 2.538 327 R HA 0.030 4.370 4.340 0.001 0.000 0.282 327 R C 0.194 176.565 176.300 0.119 0.000 1.009 327 R CA 0.072 56.239 56.100 0.113 0.000 1.063 327 R CB -1.199 29.151 30.300 0.083 0.000 0.945 327 R HN 0.414 nan 8.270 nan 0.000 0.414 328 Y N 1.807 122.103 120.300 -0.007 0.000 2.903 328 Y HA -0.169 4.381 4.550 0.001 0.000 0.338 328 Y C 0.486 176.359 175.900 -0.044 0.000 1.265 328 Y CA 0.962 59.023 58.100 -0.065 0.000 1.532 328 Y CB 0.377 38.772 38.460 -0.109 0.000 1.293 328 Y HN 0.583 nan 8.280 nan 0.000 0.609 329 Q N 3.908 123.332 119.800 -0.625 0.000 2.458 329 Q HA 0.374 4.715 4.340 0.001 0.000 0.332 329 Q C -0.421 175.206 176.000 -0.623 0.000 0.825 329 Q CA 0.263 55.762 55.803 -0.508 0.000 1.076 329 Q CB 0.226 28.825 28.738 -0.233 0.000 1.394 329 Q HN 1.144 nan 8.270 nan 0.000 0.393 330 G N 0.630 108.751 108.800 -1.132 0.000 2.690 330 G HA2 -0.317 3.644 3.960 0.001 0.000 0.686 330 G HA3 -0.317 3.644 3.960 0.001 0.000 0.686 330 G C -1.160 173.630 174.900 -0.184 0.000 1.277 330 G CA -0.817 43.969 45.100 -0.524 0.000 0.799 330 G HN 0.263 nan 8.290 nan 0.000 0.613 331 Y N 1.962 122.243 120.300 -0.033 0.000 2.770 331 Y HA 0.284 4.835 4.550 0.000 0.000 0.342 331 Y C 0.923 176.829 175.900 0.010 0.000 1.221 331 Y CA -0.305 57.828 58.100 0.056 0.000 1.560 331 Y CB 0.469 38.970 38.460 0.069 0.000 1.213 331 Y HN 0.568 nan 8.280 nan 0.000 0.525 332 N N 5.498 124.080 118.700 -0.196 0.000 2.868 332 N HA -0.054 4.686 4.740 0.001 0.000 0.252 332 N C 1.000 176.205 175.510 -0.509 0.000 1.130 332 N CA 0.138 53.020 53.050 -0.279 0.000 1.026 332 N CB -0.517 37.894 38.487 -0.127 0.000 1.335 332 N HN 0.905 nan 8.380 nan 0.000 0.516 333 N N 1.137 119.360 118.700 -0.795 0.000 2.242 333 N HA -0.191 4.549 4.740 0.001 0.000 0.193 333 N C -0.298 175.026 175.510 -0.311 0.000 1.000 333 N CA 1.482 54.043 53.050 -0.816 0.000 0.885 333 N CB 0.004 38.216 38.487 -0.458 0.000 0.988 333 N HN 0.117 nan 8.380 nan 0.000 0.444 334 S N -0.097 115.484 115.700 -0.198 0.000 2.694 334 S HA 0.383 4.853 4.470 0.001 0.000 0.211 334 S C -0.966 173.612 174.600 -0.037 0.000 1.328 334 S CA -0.790 57.364 58.200 -0.077 0.000 1.236 334 S CB 0.570 63.738 63.200 -0.054 0.000 1.121 334 S HN 0.149 nan 8.310 nan 0.000 0.517 335 V N 1.242 121.148 119.914 -0.013 0.000 2.623 335 V HA 0.281 4.401 4.120 0.001 0.000 0.304 335 V C -0.428 175.714 176.094 0.080 0.000 1.054 335 V CA -1.073 61.246 62.300 0.030 0.000 0.882 335 V CB 1.934 33.775 31.823 0.030 0.000 1.002 335 V HN 0.312 nan 8.190 nan 0.000 0.424 336 D N 7.572 128.023 120.400 0.085 0.000 2.376 336 D HA 0.052 4.692 4.640 0.001 0.000 0.278 336 D C -1.250 175.110 176.300 0.100 0.000 1.384 336 D CA -1.078 52.987 54.000 0.108 0.000 1.033 336 D CB 1.323 42.202 40.800 0.132 0.000 1.102 336 D HN 0.348 nan 8.370 nan 0.000 0.530 337 P HA 0.002 nan 4.420 nan 0.000 0.253 337 P C 0.109 177.330 177.300 -0.133 0.000 1.260 337 P CA 0.048 63.155 63.100 0.012 0.000 0.800 337 P CB 0.411 32.169 31.700 0.097 0.000 1.162 338 R N 0.154 120.629 120.500 -0.043 0.000 2.560 338 R HA 0.384 4.725 4.340 0.001 0.000 0.270 338 R C 0.589 176.839 176.300 -0.084 0.000 1.074 338 R CA -0.827 55.231 56.100 -0.070 0.000 1.140 338 R CB 0.713 31.020 30.300 0.012 0.000 1.073 338 R HN 0.010 nan 8.270 nan 0.000 0.527 339 I N 2.032 122.523 120.570 -0.132 0.000 2.342 339 I HA 0.055 4.226 4.170 0.001 0.000 0.291 339 I C 0.766 176.772 176.117 -0.185 0.000 1.010 339 I CA 0.033 61.213 61.300 -0.200 0.000 1.308 339 I CB 1.179 39.092 38.000 -0.144 0.000 1.400 339 I HN 0.708 nan 8.210 nan 0.000 0.488 340 S N 5.144 120.616 115.700 -0.379 0.000 2.603 340 S HA 0.166 4.637 4.470 0.001 0.000 0.268 340 S C 1.060 175.451 174.600 -0.349 0.000 1.317 340 S CA -0.632 57.209 58.200 -0.599 0.000 1.012 340 S CB 1.407 63.532 63.200 -1.792 0.000 0.926 340 S HN 0.610 nan 8.310 nan 0.000 0.539 341 N N 0.593 119.163 118.700 -0.216 0.000 2.043 341 N HA -0.137 4.603 4.740 0.001 0.000 0.193 341 N C 1.789 177.296 175.510 -0.005 0.000 1.037 341 N CA 1.469 54.509 53.050 -0.016 0.000 0.851 341 N CB -0.731 37.831 38.487 0.125 0.000 1.027 341 N HN 0.533 nan 8.380 nan 0.000 0.422 342 V N 0.981 120.794 119.914 -0.167 0.000 2.380 342 V HA -0.240 3.880 4.120 0.001 0.000 0.251 342 V C 2.141 178.110 176.094 -0.209 0.000 1.063 342 V CA 1.763 63.907 62.300 -0.259 0.000 1.055 342 V CB -0.795 30.542 31.823 -0.811 0.000 0.657 342 V HN 0.277 nan 8.190 nan 0.000 0.455 343 F N 2.092 121.765 119.950 -0.462 0.000 2.087 343 F HA -0.258 4.270 4.527 0.000 0.000 0.299 343 F C 2.692 178.381 175.800 -0.184 0.000 1.100 343 F CA 2.591 60.386 58.000 -0.343 0.000 1.226 343 F CB -1.012 37.751 39.000 -0.395 0.000 0.983 343 F HN 0.396 nan 8.300 nan 0.000 0.479 344 T N -2.465 111.959 114.554 -0.217 0.000 3.155 344 T HA -0.150 4.201 4.350 0.001 0.000 0.264 344 T C 1.411 175.762 174.700 -0.581 0.000 1.160 344 T CA 1.236 63.092 62.100 -0.406 0.000 1.075 344 T CB -1.007 67.614 68.868 -0.412 0.000 0.921 344 T HN 0.305 nan 8.240 nan 0.000 0.533 345 F N -0.120 119.685 119.950 -0.240 0.000 2.740 345 F HA 0.601 5.129 4.527 0.000 0.000 0.304 345 F C 2.428 178.193 175.800 -0.059 0.000 1.098 345 F CA -0.149 57.771 58.000 -0.134 0.000 1.258 345 F CB 0.094 39.026 39.000 -0.113 0.000 1.061 345 F HN 0.231 nan 8.300 nan 0.000 0.598 346 A N -0.800 122.005 122.820 -0.025 0.000 2.132 346 A HA -0.006 4.314 4.320 0.001 0.000 0.213 346 A C 1.344 178.963 177.584 0.058 0.000 1.154 346 A CA 0.589 52.618 52.037 -0.013 0.000 0.753 346 A CB -0.609 18.328 19.000 -0.105 0.000 0.826 346 A HN 0.313 nan 8.150 nan 0.000 0.469 347 F N 0.807 120.498 119.950 -0.431 0.000 2.664 347 F HA 0.284 4.811 4.527 0.001 0.000 0.301 347 F C 1.458 176.869 175.800 -0.648 0.000 1.126 347 F CA -0.490 57.183 58.000 -0.545 0.000 1.373 347 F CB -0.207 38.249 39.000 -0.906 0.000 1.042 347 F HN 0.140 nan 8.300 nan 0.000 0.535 348 R N -0.435 119.894 120.500 -0.284 0.000 2.317 348 R HA -0.022 4.319 4.340 0.001 0.000 0.208 348 R C 1.922 178.075 176.300 -0.244 0.000 0.914 348 R CA 0.346 56.178 56.100 -0.446 0.000 1.060 348 R CB -0.532 29.678 30.300 -0.149 0.000 1.015 348 R HN 0.376 nan 8.270 nan 0.000 0.498 349 F N -0.112 119.833 119.950 -0.009 0.000 2.154 349 F HA -0.050 4.478 4.527 0.001 0.000 0.301 349 F C 1.983 177.779 175.800 -0.007 0.000 1.087 349 F CA 1.062 59.059 58.000 -0.005 0.000 1.274 349 F CB -1.342 37.658 39.000 -0.000 0.000 1.009 349 F HN -0.104 nan 8.300 nan 0.000 0.485 350 G N 0.092 108.462 108.800 -0.717 0.000 2.505 350 G HA2 -0.349 3.611 3.960 0.001 0.000 0.220 350 G HA3 -0.349 3.611 3.960 0.001 0.000 0.220 350 G C 1.352 176.234 174.900 -0.029 0.000 1.145 350 G CA 1.360 46.227 45.100 -0.390 0.000 0.761 350 G HN 0.656 nan 8.290 nan 0.000 0.571 351 H N -0.494 118.552 119.070 -0.041 0.000 2.466 351 H HA -0.050 4.506 4.556 0.001 0.000 0.297 351 H C 2.364 177.792 175.328 0.166 0.000 1.113 351 H CA 1.064 57.166 56.048 0.090 0.000 1.273 351 H CB -0.058 29.835 29.762 0.219 0.000 1.371 351 H HN 0.366 nan 8.280 nan 0.000 0.528 352 M N 0.082 119.860 119.600 0.296 0.000 2.561 352 M HA -0.025 4.455 4.480 0.001 0.000 0.238 352 M C 0.610 177.029 176.300 0.199 0.000 1.131 352 M CA 0.845 56.289 55.300 0.239 0.000 1.046 352 M CB 0.510 33.212 32.600 0.171 0.000 1.532 352 M HN 0.291 nan 8.290 nan 0.000 0.497 353 E N -0.277 120.031 120.200 0.181 0.000 2.526 353 E HA 0.139 4.489 4.350 0.001 0.000 0.208 353 E C -0.190 176.499 176.600 0.148 0.000 0.997 353 E CA -0.149 56.349 56.400 0.163 0.000 0.961 353 E CB 0.769 30.561 29.700 0.153 0.000 1.030 353 E HN 0.152 nan 8.360 nan 0.000 0.483 354 V N 3.905 123.910 119.914 0.150 0.000 2.455 354 V HA 0.135 4.255 4.120 0.001 0.000 0.273 354 V C -2.057 174.131 176.094 0.158 0.000 1.045 354 V CA -1.521 60.863 62.300 0.139 0.000 0.976 354 V CB 0.269 32.176 31.823 0.139 0.000 0.993 354 V HN -0.000 nan 8.190 nan 0.000 0.475 355 P HA 0.154 nan 4.420 nan 0.000 0.274 355 P C 0.644 178.020 177.300 0.127 0.000 1.256 355 P CA -0.339 62.844 63.100 0.139 0.000 0.795 355 P CB 0.505 32.275 31.700 0.117 0.000 1.038 356 S N -2.181 113.591 115.700 0.121 0.000 2.593 356 S HA 0.134 4.604 4.470 0.001 0.000 0.217 356 S C 0.393 175.019 174.600 0.043 0.000 0.966 356 S CA 0.223 58.479 58.200 0.093 0.000 0.914 356 S CB -0.983 62.276 63.200 0.099 0.000 0.776 356 S HN 0.651 nan 8.310 nan 0.000 0.523 357 T N -1.799 112.776 114.554 0.035 0.000 2.932 357 T HA 0.642 4.993 4.350 0.001 0.000 0.318 357 T C -1.198 173.502 174.700 -0.000 0.000 1.265 357 T CA -0.731 61.366 62.100 -0.005 0.000 1.036 357 T CB 1.588 70.455 68.868 -0.001 0.000 1.209 357 T HN -0.041 nan 8.240 nan 0.000 0.484 358 V N 2.951 122.845 119.914 -0.034 0.000 2.448 358 V HA 0.736 4.856 4.120 0.001 0.000 0.295 358 V C 0.089 176.162 176.094 -0.035 0.000 1.025 358 V CA -0.625 61.660 62.300 -0.025 0.000 0.859 358 V CB 1.813 33.608 31.823 -0.048 0.000 0.988 358 V HN 1.221 nan 8.190 nan 0.000 0.431 359 S N 4.908 120.602 115.700 -0.011 0.000 2.568 359 S HA 0.838 5.309 4.470 0.001 0.000 0.302 359 S C -0.667 173.918 174.600 -0.025 0.000 1.082 359 S CA -1.120 57.069 58.200 -0.020 0.000 1.009 359 S CB 2.078 65.278 63.200 0.000 0.000 1.069 359 S HN 0.589 nan 8.310 nan 0.000 0.500 360 R N 0.938 121.412 120.500 -0.043 0.000 2.343 360 R HA 0.597 4.937 4.340 0.001 0.000 0.320 360 R C -0.934 175.325 176.300 -0.067 0.000 0.956 360 R CA -0.230 55.837 56.100 -0.056 0.000 0.836 360 R CB 0.772 31.034 30.300 -0.064 0.000 1.151 360 R HN 0.606 nan 8.270 nan 0.000 0.450 361 L N 2.624 123.786 121.223 -0.103 0.000 2.334 361 L HA 0.472 4.813 4.340 0.001 0.000 0.275 361 L C 0.022 176.778 176.870 -0.191 0.000 1.036 361 L CA -1.055 53.698 54.840 -0.145 0.000 0.807 361 L CB 1.440 43.381 42.059 -0.196 0.000 1.231 361 L HN 0.653 nan 8.230 nan 0.000 0.438 362 D N 0.239 120.540 120.400 -0.165 0.000 2.277 362 D HA 0.088 4.729 4.640 0.001 0.000 0.250 362 D C 0.618 176.803 176.300 -0.193 0.000 1.032 362 D CA -0.629 53.287 54.000 -0.141 0.000 0.947 362 D CB 1.220 41.971 40.800 -0.081 0.000 1.159 362 D HN 0.558 nan 8.370 nan 0.000 0.460 363 E N -0.226 119.887 120.200 -0.145 0.000 2.407 363 E HA -0.271 4.079 4.350 0.001 0.000 0.222 363 E C 0.469 176.985 176.600 -0.141 0.000 1.104 363 E CA 1.717 58.037 56.400 -0.134 0.000 0.876 363 E CB -0.078 29.595 29.700 -0.045 0.000 0.749 363 E HN 0.404 nan 8.360 nan 0.000 0.470 364 N N -0.763 117.846 118.700 -0.152 0.000 2.273 364 N HA 0.052 4.792 4.740 0.001 0.000 0.231 364 N C -0.713 174.538 175.510 -0.432 0.000 1.134 364 N CA 0.074 52.998 53.050 -0.210 0.000 0.856 364 N CB 0.533 39.011 38.487 -0.015 0.000 1.068 364 N HN 0.234 nan 8.380 nan 0.000 0.510 365 Y N -0.330 119.617 120.300 -0.588 0.000 4.177 365 Y HA -0.258 4.292 4.550 0.001 0.000 0.227 365 Y C 0.108 175.842 175.900 -0.276 0.000 1.154 365 Y CA 0.370 58.171 58.100 -0.499 0.000 1.887 365 Y CB -1.685 36.268 38.460 -0.845 0.000 1.594 365 Y HN 0.144 nan 8.280 nan 0.000 0.668 366 Q N 1.800 121.541 119.800 -0.098 0.000 2.241 366 Q HA 0.270 4.611 4.340 0.001 0.000 0.254 366 Q C -2.180 173.794 176.000 -0.043 0.000 0.917 366 Q CA -2.052 53.726 55.803 -0.042 0.000 0.919 366 Q CB 1.146 29.867 28.738 -0.029 0.000 1.237 366 Q HN 0.055 nan 8.270 nan 0.000 0.434 367 P HA -0.068 nan 4.420 nan 0.000 0.256 367 P C -0.436 176.848 177.300 -0.027 0.000 1.189 367 P CA 0.268 63.355 63.100 -0.022 0.000 0.808 367 P CB -0.112 31.584 31.700 -0.007 0.000 0.793 368 R N 3.141 123.618 120.500 -0.038 0.000 2.267 368 R HA 0.548 4.888 4.340 0.001 0.000 0.319 368 R C 0.465 176.750 176.300 -0.024 0.000 1.067 368 R CA 0.024 56.104 56.100 -0.033 0.000 0.936 368 R CB -0.130 30.145 30.300 -0.043 0.000 1.006 368 R HN 0.612 nan 8.270 nan 0.000 0.452 369 G N 4.009 112.800 108.800 -0.016 0.000 2.760 369 G HA2 -0.223 3.737 3.960 0.001 0.000 0.246 369 G HA3 -0.223 3.737 3.960 0.001 0.000 0.246 369 G C -1.448 173.446 174.900 -0.011 0.000 1.359 369 G CA -0.362 44.731 45.100 -0.011 0.000 0.861 369 G HN 0.555 nan 8.290 nan 0.000 0.541 370 P HA 0.106 nan 4.420 nan 0.000 0.225 370 P C 0.413 177.705 177.300 -0.013 0.000 1.156 370 P CA 1.401 64.496 63.100 -0.007 0.000 0.787 370 P CB 0.212 31.911 31.700 -0.002 0.000 0.802 371 E N -0.554 119.634 120.200 -0.019 0.000 4.129 371 E HA 0.427 4.777 4.350 0.001 0.000 0.222 371 E C 0.471 177.043 176.600 -0.046 0.000 1.179 371 E CA -0.275 56.106 56.400 -0.031 0.000 1.334 371 E CB 0.880 30.564 29.700 -0.027 0.000 1.202 371 E HN 0.024 nan 8.360 nan 0.000 0.428 372 A N 0.897 123.693 122.820 -0.041 0.000 2.030 372 A HA 0.007 4.327 4.320 0.001 0.000 0.215 372 A C 1.057 178.610 177.584 -0.052 0.000 1.164 372 A CA 0.485 52.494 52.037 -0.047 0.000 0.697 372 A CB 0.310 19.288 19.000 -0.037 0.000 0.827 372 A HN 0.173 nan 8.150 nan 0.000 0.457 373 E N 1.102 121.274 120.200 -0.045 0.000 2.042 373 E HA 0.424 4.775 4.350 0.001 0.000 0.260 373 E C -1.174 175.387 176.600 -0.066 0.000 0.975 373 E CA -0.123 56.251 56.400 -0.044 0.000 0.799 373 E CB 0.340 30.025 29.700 -0.025 0.000 1.131 373 E HN 0.451 nan 8.360 nan 0.000 0.423 374 L N 3.373 124.541 121.223 -0.092 0.000 2.375 374 L HA 0.487 4.827 4.340 0.001 0.000 0.268 374 L C -2.144 174.638 176.870 -0.146 0.000 1.058 374 L CA -2.395 52.365 54.840 -0.133 0.000 0.803 374 L CB 0.789 42.743 42.059 -0.175 0.000 1.212 374 L HN 0.132 nan 8.230 nan 0.000 0.451 375 P HA 0.004 nan 4.420 nan 0.000 0.271 375 P C 0.832 177.975 177.300 -0.262 0.000 1.233 375 P CA -0.080 62.876 63.100 -0.240 0.000 0.764 375 P CB 0.688 32.126 31.700 -0.435 0.000 0.825 376 L N 4.986 126.116 121.223 -0.155 0.000 2.103 376 L HA -0.259 4.082 4.340 0.001 0.000 0.215 376 L C 2.120 178.726 176.870 -0.441 0.000 1.080 376 L CA 2.326 57.051 54.840 -0.192 0.000 0.764 376 L CB -0.873 41.175 42.059 -0.017 0.000 0.890 376 L HN 0.664 nan 8.230 nan 0.000 0.435 377 H N -1.396 117.487 119.070 -0.313 0.000 2.456 377 H HA -0.116 4.440 4.556 0.001 0.000 0.296 377 H C 1.422 176.525 175.328 -0.375 0.000 1.079 377 H CA 1.388 57.213 56.048 -0.371 0.000 1.322 377 H CB -0.149 29.624 29.762 0.018 0.000 1.388 377 H HN 0.461 nan 8.280 nan 0.000 0.538 378 T N -1.056 113.230 114.554 -0.446 0.000 3.278 378 T HA 0.248 4.598 4.350 0.001 0.000 0.251 378 T C 1.179 175.722 174.700 -0.262 0.000 1.039 378 T CA -0.406 61.546 62.100 -0.247 0.000 0.935 378 T CB -0.326 68.339 68.868 -0.337 0.000 1.034 378 T HN 0.373 nan 8.240 nan 0.000 0.575 379 L N -0.350 120.621 121.223 -0.421 0.000 2.966 379 L HA 0.487 4.827 4.340 0.001 0.000 0.262 379 L C -0.440 176.292 176.870 -0.230 0.000 1.165 379 L CA -0.589 54.051 54.840 -0.333 0.000 0.978 379 L CB 0.274 42.148 42.059 -0.309 0.000 1.337 379 L HN 0.204 nan 8.230 nan 0.000 0.563 380 F N 0.351 120.308 119.950 0.010 0.000 2.456 380 F HA 0.252 4.780 4.527 0.000 0.000 0.358 380 F C 0.607 176.423 175.800 0.026 0.000 1.095 380 F CA -0.954 57.010 58.000 -0.060 0.000 1.216 380 F CB -0.299 38.746 39.000 0.075 0.000 1.125 380 F HN -0.065 nan 8.300 nan 0.000 0.549 381 F N 0.767 120.846 119.950 0.216 0.000 3.074 381 F HA -0.305 4.223 4.527 0.001 0.000 0.287 381 F C 0.370 176.187 175.800 0.028 0.000 0.932 381 F CA 0.196 58.268 58.000 0.120 0.000 0.995 381 F CB -1.375 37.749 39.000 0.206 0.000 0.966 381 F HN 0.534 nan 8.300 nan 0.000 0.721 382 N N 0.487 119.221 118.700 0.057 0.000 2.443 382 N HA 0.388 5.128 4.740 0.001 0.000 0.269 382 N C 0.786 176.216 175.510 -0.134 0.000 0.985 382 N CA 0.559 53.586 53.050 -0.039 0.000 0.921 382 N CB 1.374 39.768 38.487 -0.155 0.000 1.195 382 N HN 0.220 nan 8.380 nan 0.000 0.492 383 T N -0.335 114.138 114.554 -0.134 0.000 2.955 383 T HA 0.041 4.391 4.350 0.001 0.000 0.251 383 T C 1.776 176.381 174.700 -0.157 0.000 1.002 383 T CA -0.457 61.486 62.100 -0.261 0.000 0.970 383 T CB -0.344 68.224 68.868 -0.500 0.000 1.091 383 T HN 0.645 nan 8.240 nan 0.000 0.495 384 W N 2.491 123.695 121.300 -0.160 0.000 2.374 384 W HA 0.047 4.707 4.660 0.001 0.000 0.288 384 W C 1.324 177.794 176.519 -0.080 0.000 1.218 384 W CA 0.174 57.450 57.345 -0.115 0.000 1.245 384 W CB -0.720 28.680 29.460 -0.100 0.000 1.126 384 W HN 0.029 nan 8.180 nan 0.000 0.545 385 R N 1.115 121.115 120.500 -0.834 0.000 2.341 385 R HA -0.022 4.318 4.340 0.001 0.000 0.213 385 R C 1.847 177.953 176.300 -0.323 0.000 1.082 385 R CA 0.957 56.554 56.100 -0.839 0.000 1.017 385 R CB -0.507 29.264 30.300 -0.881 0.000 0.860 385 R HN 0.468 nan 8.270 nan 0.000 0.473 386 I N -0.667 119.787 120.570 -0.194 0.000 2.962 386 I HA -0.107 4.063 4.170 0.001 0.000 0.246 386 I C 1.923 178.029 176.117 -0.019 0.000 1.091 386 I CA 0.084 61.338 61.300 -0.077 0.000 1.469 386 I CB -0.154 37.815 38.000 -0.051 0.000 1.324 386 I HN -0.113 nan 8.210 nan 0.000 0.461 387 I N 1.575 122.097 120.570 -0.079 0.000 2.118 387 I HA -0.282 3.889 4.170 0.001 0.000 0.241 387 I C 1.492 177.693 176.117 0.141 0.000 1.070 387 I CA 1.929 63.221 61.300 -0.015 0.000 1.327 387 I CB -1.030 36.994 38.000 0.039 0.000 1.034 387 I HN 0.271 nan 8.210 nan 0.000 0.405 388 K N 0.488 120.988 120.400 0.166 0.000 2.684 388 K HA 0.124 4.444 4.320 0.001 0.000 0.215 388 K C -0.528 176.179 176.600 0.178 0.000 1.073 388 K CA 0.091 56.501 56.287 0.205 0.000 1.197 388 K CB 0.255 32.925 32.500 0.283 0.000 0.955 388 K HN 0.111 nan 8.250 nan 0.000 0.473 389 D N -0.198 120.262 120.400 0.100 0.000 3.036 389 D HA 0.149 4.790 4.640 0.001 0.000 0.244 389 D C 0.344 176.658 176.300 0.022 0.000 1.337 389 D CA 0.347 54.375 54.000 0.046 0.000 0.829 389 D CB 0.551 41.325 40.800 -0.043 0.000 1.478 389 D HN 0.246 nan 8.370 nan 0.000 0.570 390 G N 0.735 109.563 108.800 0.048 0.000 2.184 390 G HA2 0.035 3.995 3.960 0.001 0.000 0.264 390 G HA3 0.035 3.995 3.960 0.001 0.000 0.264 390 G C 1.040 175.940 174.900 0.001 0.000 0.975 390 G CA 0.574 45.689 45.100 0.024 0.000 0.642 390 G HN 1.463 nan 8.290 nan 0.000 0.536 391 G N -0.349 108.490 108.800 0.065 0.000 2.593 391 G HA2 0.049 4.009 3.960 0.001 0.000 0.237 391 G HA3 0.049 4.009 3.960 0.001 0.000 0.237 391 G C 0.699 175.662 174.900 0.105 0.000 1.312 391 G CA 0.810 45.986 45.100 0.125 0.000 0.896 391 G HN 1.745 nan 8.290 nan 0.000 0.574 392 I N -1.009 119.630 120.570 0.114 0.000 4.018 392 I HA 0.333 4.504 4.170 0.001 0.000 0.337 392 I C 1.230 177.370 176.117 0.037 0.000 1.327 392 I CA 1.610 62.963 61.300 0.089 0.000 1.100 392 I CB -0.299 37.787 38.000 0.143 0.000 1.025 392 I HN 0.349 nan 8.210 nan 0.000 0.396 393 D N 3.439 123.844 120.400 0.009 0.000 2.097 393 D HA -0.061 4.579 4.640 0.001 0.000 0.195 393 D C -0.653 175.626 176.300 -0.035 0.000 0.989 393 D CA 1.975 55.974 54.000 -0.001 0.000 0.827 393 D CB -1.039 39.776 40.800 0.025 0.000 0.966 393 D HN 0.337 nan 8.370 nan 0.000 0.456 394 P HA -0.049 nan 4.420 nan 0.000 0.226 394 P C 1.525 178.788 177.300 -0.061 0.000 1.153 394 P CA 0.759 63.810 63.100 -0.081 0.000 0.777 394 P CB 0.168 31.829 31.700 -0.064 0.000 0.794 395 L N -1.000 120.211 121.223 -0.021 0.000 2.127 395 L HA -0.027 4.313 4.340 0.001 0.000 0.203 395 L C 2.660 179.553 176.870 0.038 0.000 1.080 395 L CA 0.710 55.553 54.840 0.005 0.000 0.768 395 L CB -0.878 41.192 42.059 0.019 0.000 0.924 395 L HN -0.214 nan 8.230 nan 0.000 0.444 396 V N 0.141 120.084 119.914 0.048 0.000 2.490 396 V HA -0.256 3.864 4.120 0.001 0.000 0.250 396 V C 2.664 178.816 176.094 0.096 0.000 1.061 396 V CA 1.622 63.977 62.300 0.091 0.000 1.064 396 V CB -0.599 31.270 31.823 0.076 0.000 0.670 396 V HN 0.403 nan 8.190 nan 0.000 0.461 397 R N -0.158 120.342 120.500 0.000 0.000 2.075 397 R HA -0.078 4.262 4.340 0.001 0.000 0.232 397 R C 2.492 178.849 176.300 0.095 0.000 1.126 397 R CA 1.365 57.435 56.100 -0.050 0.000 0.963 397 R CB -0.927 29.080 30.300 -0.488 0.000 0.858 397 R HN 0.580 nan 8.270 nan 0.000 0.435 398 G N 1.760 110.587 108.800 0.044 0.000 2.529 398 G HA2 -0.280 3.681 3.960 0.001 0.000 0.219 398 G HA3 -0.280 3.681 3.960 0.001 0.000 0.219 398 G C 1.486 176.478 174.900 0.152 0.000 1.177 398 G CA 0.714 45.866 45.100 0.087 0.000 0.773 398 G HN 0.163 nan 8.290 nan 0.000 0.573 399 L N -0.139 121.177 121.223 0.155 0.000 2.129 399 L HA -0.067 4.273 4.340 0.001 0.000 0.212 399 L C 2.901 179.910 176.870 0.231 0.000 1.087 399 L CA 0.667 55.620 54.840 0.189 0.000 0.757 399 L CB -0.226 41.950 42.059 0.196 0.000 0.896 399 L HN 0.224 nan 8.230 nan 0.000 0.434 400 L N -1.453 119.937 121.223 0.278 0.000 2.095 400 L HA -0.076 4.264 4.340 0.001 0.000 0.204 400 L C 2.649 179.747 176.870 0.380 0.000 1.080 400 L CA 0.988 56.022 54.840 0.324 0.000 0.759 400 L CB -0.503 41.812 42.059 0.427 0.000 0.914 400 L HN 0.208 nan 8.230 nan 0.000 0.439 401 A N -1.103 121.978 122.820 0.434 0.000 1.943 401 A HA 0.047 4.368 4.320 0.001 0.000 0.213 401 A C 1.118 178.852 177.584 0.250 0.000 1.181 401 A CA 0.489 52.759 52.037 0.388 0.000 0.653 401 A CB 0.113 19.361 19.000 0.413 0.000 0.833 401 A HN 0.020 nan 8.150 nan 0.000 0.451 402 K N 1.321 121.845 120.400 0.207 0.000 2.154 402 K HA 0.379 4.700 4.320 0.001 0.000 0.264 402 K C -0.538 176.160 176.600 0.163 0.000 1.008 402 K CA -0.066 56.316 56.287 0.159 0.000 0.937 402 K CB 0.880 33.457 32.500 0.128 0.000 1.002 402 K HN 0.371 nan 8.250 nan 0.000 0.469 403 K N 0.471 120.957 120.400 0.144 0.000 2.106 403 K HA 0.350 4.670 4.320 0.001 0.000 0.246 403 K C 0.092 176.788 176.600 0.159 0.000 0.987 403 K CA -0.708 55.671 56.287 0.152 0.000 0.904 403 K CB 1.002 33.578 32.500 0.126 0.000 1.071 403 K HN 0.436 nan 8.250 nan 0.000 0.453 404 S N 0.418 116.234 115.700 0.193 0.000 2.681 404 S HA 0.178 4.649 4.470 0.001 0.000 0.270 404 S C -0.192 174.511 174.600 0.171 0.000 1.209 404 S CA -0.919 57.401 58.200 0.199 0.000 0.988 404 S CB 0.743 64.109 63.200 0.276 0.000 1.006 404 S HN 0.527 nan 8.310 nan 0.000 0.558 405 K N 0.118 120.616 120.400 0.164 0.000 2.154 405 K HA 0.419 4.740 4.320 0.001 0.000 0.264 405 K C -1.032 175.653 176.600 0.141 0.000 1.008 405 K CA -0.599 55.772 56.287 0.139 0.000 0.937 405 K CB 0.415 33.004 32.500 0.148 0.000 1.002 405 K HN 0.436 nan 8.250 nan 0.000 0.469 406 L N 4.030 125.310 121.223 0.094 0.000 2.322 406 L HA 0.318 4.658 4.340 0.001 0.000 0.279 406 L C -0.387 176.513 176.870 0.050 0.000 1.036 406 L CA -0.516 54.373 54.840 0.083 0.000 0.807 406 L CB 1.551 43.639 42.059 0.047 0.000 1.226 406 L HN 0.740 nan 8.230 nan 0.000 0.433 407 M N 5.504 125.140 119.600 0.060 0.000 2.251 407 M HA 0.143 4.623 4.480 0.001 0.000 0.346 407 M C -0.972 175.321 176.300 -0.012 0.000 1.499 407 M CA 0.628 55.947 55.300 0.031 0.000 1.128 407 M CB -0.528 32.095 32.600 0.038 0.000 1.809 407 M HN 0.702 nan 8.290 nan 0.000 0.464 408 N N 4.014 122.687 118.700 -0.045 0.000 2.372 408 N HA 0.158 4.898 4.740 0.001 0.000 0.285 408 N C 0.247 175.724 175.510 -0.055 0.000 1.008 408 N CA -0.156 52.855 53.050 -0.065 0.000 0.880 408 N CB 1.436 39.853 38.487 -0.117 0.000 1.239 408 N HN 0.706 nan 8.380 nan 0.000 0.484 409 Q N 0.941 120.716 119.800 -0.041 0.000 2.268 409 Q HA -0.156 4.184 4.340 0.001 0.000 0.210 409 Q C 0.594 176.581 176.000 -0.021 0.000 0.988 409 Q CA 1.339 57.122 55.803 -0.033 0.000 0.883 409 Q CB 0.043 28.765 28.738 -0.028 0.000 0.911 409 Q HN 0.587 nan 8.270 nan 0.000 0.430 410 N N -1.022 117.660 118.700 -0.030 0.000 2.541 410 N HA 0.089 4.830 4.740 0.001 0.000 0.297 410 N C -1.102 174.382 175.510 -0.042 0.000 1.503 410 N CA -0.065 52.979 53.050 -0.009 0.000 0.919 410 N CB 0.628 39.114 38.487 -0.000 0.000 1.305 410 N HN -0.072 nan 8.380 nan 0.000 0.501 411 K N 1.148 121.492 120.400 -0.094 0.000 2.911 411 K HA 0.169 4.489 4.320 0.001 0.000 0.239 411 K C 0.313 176.836 176.600 -0.129 0.000 1.371 411 K CA -0.046 56.017 56.287 -0.375 0.000 0.872 411 K CB 0.474 32.454 32.500 -0.867 0.000 1.322 411 K HN 0.059 nan 8.250 nan 0.000 0.527 412 M N -0.091 119.610 119.600 0.169 0.000 2.102 412 M HA 0.063 4.543 4.480 0.001 0.000 0.259 412 M C 0.605 177.084 176.300 0.299 0.000 1.083 412 M CA 1.198 56.601 55.300 0.172 0.000 1.141 412 M CB 0.389 33.062 32.600 0.122 0.000 1.318 412 M HN -0.015 nan 8.290 nan 0.000 0.421 413 V N 0.557 120.712 119.914 0.401 0.000 2.483 413 V HA 0.172 4.292 4.120 0.001 0.000 0.297 413 V C 0.016 176.263 176.094 0.256 0.000 1.027 413 V CA -0.787 61.722 62.300 0.348 0.000 0.855 413 V CB 1.576 33.582 31.823 0.305 0.000 0.995 413 V HN 0.311 nan 8.190 nan 0.000 0.424 414 T N 3.119 117.819 114.554 0.242 0.000 2.937 414 T HA 0.006 4.356 4.350 0.001 0.000 0.316 414 T C 1.466 176.118 174.700 -0.080 0.000 1.079 414 T CA 0.598 62.676 62.100 -0.037 0.000 1.131 414 T CB 0.778 69.721 68.868 0.125 0.000 1.000 414 T HN 0.796 nan 8.240 nan 0.000 0.549 415 S N 3.101 118.684 115.700 -0.195 0.000 2.442 415 S HA -0.079 4.391 4.470 0.001 0.000 0.236 415 S C 1.881 176.508 174.600 0.045 0.000 1.007 415 S CA 0.702 58.856 58.200 -0.076 0.000 0.965 415 S CB -0.148 62.991 63.200 -0.100 0.000 0.773 415 S HN 0.730 nan 8.310 nan 0.000 0.504 416 E N 0.707 120.961 120.200 0.090 0.000 2.265 416 E HA 0.008 4.359 4.350 0.001 0.000 0.196 416 E C 1.630 178.406 176.600 0.293 0.000 0.996 416 E CA 0.630 57.152 56.400 0.204 0.000 0.832 416 E CB -0.060 29.752 29.700 0.186 0.000 0.756 416 E HN 0.472 nan 8.360 nan 0.000 0.491 417 L N -0.692 120.647 121.223 0.193 0.000 2.642 417 L HA 0.158 4.498 4.340 0.001 0.000 0.233 417 L C 2.171 179.087 176.870 0.077 0.000 1.077 417 L CA 0.061 54.988 54.840 0.145 0.000 0.879 417 L CB 0.354 42.468 42.059 0.093 0.000 1.151 417 L HN -0.111 nan 8.230 nan 0.000 0.495 418 R N -0.587 119.960 120.500 0.077 0.000 2.362 418 R HA 0.091 4.431 4.340 0.001 0.000 0.227 418 R C 0.833 177.171 176.300 0.062 0.000 0.905 418 R CA 0.237 56.377 56.100 0.067 0.000 1.067 418 R CB 0.439 30.779 30.300 0.066 0.000 1.078 418 R HN 0.255 nan 8.270 nan 0.000 0.516 419 N N -0.527 118.216 118.700 0.070 0.000 2.026 419 N HA 0.073 4.813 4.740 0.001 0.000 0.239 419 N C -0.599 174.952 175.510 0.068 0.000 1.283 419 N CA 0.278 53.358 53.050 0.049 0.000 0.816 419 N CB 0.885 39.377 38.487 0.009 0.000 1.263 419 N HN -0.010 nan 8.380 nan 0.000 0.470 420 K N 1.286 121.760 120.400 0.123 0.000 3.205 420 K HA 0.275 4.595 4.320 0.001 0.000 0.202 420 K C -0.852 175.969 176.600 0.367 0.000 1.160 420 K CA -0.377 56.008 56.287 0.164 0.000 0.995 420 K CB 1.205 33.702 32.500 -0.006 0.000 1.041 420 K HN -0.088 nan 8.250 nan 0.000 0.507 421 L N 1.047 122.446 121.223 0.293 0.000 2.312 421 L HA 0.430 4.771 4.340 0.001 0.000 0.281 421 L C -0.820 176.229 176.870 0.299 0.000 1.070 421 L CA -0.535 54.430 54.840 0.208 0.000 0.805 421 L CB 0.413 42.484 42.059 0.020 0.000 1.174 421 L HN 0.128 nan 8.230 nan 0.000 0.434 422 F N 4.478 124.453 119.950 0.041 0.000 2.405 422 F HA 0.448 4.975 4.527 0.001 0.000 0.355 422 F C -0.114 175.767 175.800 0.135 0.000 1.121 422 F CA -0.253 57.794 58.000 0.079 0.000 1.112 422 F CB 0.785 39.816 39.000 0.052 0.000 1.126 422 F HN 0.442 nan 8.300 nan 0.000 0.481 423 Q N 7.773 127.354 119.800 -0.366 0.000 2.271 423 Q HA 0.265 4.605 4.340 0.001 0.000 0.258 423 Q C -1.852 173.731 176.000 -0.695 0.000 0.936 423 Q CA -2.022 53.535 55.803 -0.410 0.000 0.909 423 Q CB 1.665 30.051 28.738 -0.587 0.000 1.253 423 Q HN 0.406 nan 8.270 nan 0.000 0.440 424 P HA -0.132 nan 4.420 nan 0.000 0.218 424 P C 0.892 177.843 177.300 -0.581 0.000 1.146 424 P CA 1.388 64.019 63.100 -0.781 0.000 0.813 424 P CB 0.386 31.675 31.700 -0.684 0.000 0.778 425 T N -2.009 112.212 114.554 -0.555 0.000 2.978 425 T HA -0.014 4.337 4.350 0.001 0.000 0.262 425 T C 0.855 175.114 174.700 -0.735 0.000 1.063 425 T CA 0.927 62.652 62.100 -0.625 0.000 1.140 425 T CB -0.384 68.065 68.868 -0.698 0.000 0.886 425 T HN 0.213 nan 8.240 nan 0.000 0.470 426 H N 0.349 119.237 119.070 -0.303 0.000 2.585 426 H HA 0.433 4.989 4.556 0.000 0.000 0.338 426 H C 0.909 176.106 175.328 -0.218 0.000 1.295 426 H CA -0.463 55.489 56.048 -0.160 0.000 1.356 426 H CB 1.361 31.203 29.762 0.133 0.000 1.736 426 H HN 0.043 nan 8.280 nan 0.000 0.629 427 K N 0.341 120.853 120.400 0.188 0.000 2.244 427 K HA 0.162 4.482 4.320 0.001 0.000 0.200 427 K C 0.983 177.928 176.600 0.575 0.000 1.052 427 K CA 0.307 56.857 56.287 0.438 0.000 0.980 427 K CB 0.404 33.153 32.500 0.414 0.000 0.838 427 K HN 0.435 nan 8.250 nan 0.000 0.481 428 I N -0.669 120.110 120.570 0.349 0.000 2.823 428 I HA 0.096 4.266 4.170 0.001 0.000 0.290 428 I C -0.025 176.373 176.117 0.468 0.000 1.091 428 I CA -0.289 61.213 61.300 0.336 0.000 1.365 428 I CB 0.422 38.473 38.000 0.085 0.000 1.427 428 I HN -0.026 nan 8.210 nan 0.000 0.583 429 H N 2.339 121.595 119.070 0.310 0.000 2.533 429 H HA 0.410 4.967 4.556 0.000 0.000 0.281 429 H C 0.687 176.105 175.328 0.150 0.000 1.238 429 H CA -0.133 56.127 56.048 0.355 0.000 1.024 429 H CB 0.487 30.377 29.762 0.213 0.000 1.604 429 H HN 0.842 nan 8.280 nan 0.000 0.531 430 G N -0.180 108.695 108.800 0.125 0.000 4.250 430 G HA2 0.145 4.105 3.960 0.001 0.000 0.295 430 G HA3 0.145 4.105 3.960 0.001 0.000 0.295 430 G C -0.333 174.502 174.900 -0.110 0.000 1.081 430 G CA -0.198 44.891 45.100 -0.018 0.000 0.854 430 G HN 0.142 nan 8.290 nan 0.000 0.524 431 F N 0.167 120.160 119.950 0.071 0.000 2.348 431 F HA 0.544 5.071 4.527 0.000 0.000 0.308 431 F C 0.184 176.007 175.800 0.038 0.000 1.175 431 F CA -0.589 57.437 58.000 0.044 0.000 1.080 431 F CB 1.383 40.388 39.000 0.007 0.000 1.341 431 F HN -0.045 nan 8.300 nan 0.000 0.518 432 D N 0.926 121.495 120.400 0.281 0.000 2.593 432 D HA 0.179 4.819 4.640 0.001 0.000 0.251 432 D C 0.199 176.534 176.300 0.059 0.000 1.140 432 D CA -0.432 53.651 54.000 0.139 0.000 0.855 432 D CB 1.695 42.573 40.800 0.130 0.000 1.267 432 D HN 0.338 nan 8.370 nan 0.000 0.532 433 L N 4.627 125.835 121.223 -0.025 0.000 2.156 433 L HA 0.172 4.512 4.340 0.001 0.000 0.208 433 L C 1.921 178.678 176.870 -0.187 0.000 1.095 433 L CA 2.132 56.881 54.840 -0.151 0.000 0.770 433 L CB -0.726 41.160 42.059 -0.288 0.000 0.914 433 L HN 0.538 nan 8.230 nan 0.000 0.439 434 A N -0.401 122.370 122.820 -0.082 0.000 1.873 434 A HA -0.057 4.264 4.320 0.001 0.000 0.215 434 A C 2.455 179.960 177.584 -0.131 0.000 1.186 434 A CA 1.714 53.691 52.037 -0.100 0.000 0.616 434 A CB -1.113 18.014 19.000 0.212 0.000 0.823 434 A HN 0.525 nan 8.150 nan 0.000 0.442 435 A N 0.070 122.879 122.820 -0.017 0.000 1.877 435 A HA -0.079 4.241 4.320 0.001 0.000 0.216 435 A C 2.133 179.681 177.584 -0.061 0.000 1.186 435 A CA 1.517 53.546 52.037 -0.013 0.000 0.620 435 A CB -0.653 18.361 19.000 0.024 0.000 0.822 435 A HN 0.497 nan 8.150 nan 0.000 0.443 436 I N 0.087 120.648 120.570 -0.015 0.000 2.127 436 I HA -0.296 3.874 4.170 0.001 0.000 0.241 436 I C 2.066 178.203 176.117 0.034 0.000 1.075 436 I CA 1.382 62.744 61.300 0.103 0.000 1.334 436 I CB -0.635 37.438 38.000 0.121 0.000 1.040 436 I HN 0.327 nan 8.210 nan 0.000 0.405 437 N N 0.872 119.453 118.700 -0.197 0.000 2.258 437 N HA -0.161 4.579 4.740 0.001 0.000 0.187 437 N C 1.876 177.276 175.510 -0.183 0.000 1.012 437 N CA 1.302 54.131 53.050 -0.369 0.000 0.870 437 N CB -0.185 37.589 38.487 -1.188 0.000 0.977 437 N HN 0.405 nan 8.380 nan 0.000 0.434 438 L N 0.575 121.725 121.223 -0.122 0.000 2.127 438 L HA -0.046 4.294 4.340 0.001 0.000 0.203 438 L C 2.404 179.302 176.870 0.046 0.000 1.080 438 L CA 0.738 55.601 54.840 0.039 0.000 0.768 438 L CB -0.232 41.885 42.059 0.097 0.000 0.924 438 L HN 0.128 nan 8.230 nan 0.000 0.444 439 Q N -0.350 119.409 119.800 -0.067 0.000 2.123 439 Q HA -0.205 4.135 4.340 0.001 0.000 0.199 439 Q C 2.181 178.258 176.000 0.129 0.000 0.966 439 Q CA 0.911 56.625 55.803 -0.148 0.000 0.845 439 Q CB 0.071 28.349 28.738 -0.768 0.000 0.907 439 Q HN 0.167 nan 8.270 nan 0.000 0.439 440 R N 0.277 120.960 120.500 0.305 0.000 2.170 440 R HA -0.146 4.195 4.340 0.001 0.000 0.242 440 R C 1.925 178.592 176.300 0.611 0.000 1.145 440 R CA 1.398 57.871 56.100 0.622 0.000 0.984 440 R CB -0.820 29.822 30.300 0.570 0.000 0.869 440 R HN 0.274 nan 8.270 nan 0.000 0.455 441 C N -0.468 118.976 119.300 0.239 0.000 2.462 441 C HA 0.027 4.488 4.460 0.001 0.000 0.278 441 C C 2.440 177.419 174.990 -0.020 0.000 1.253 441 C CA 0.951 59.774 59.018 -0.326 0.000 1.713 441 C CB -0.715 26.887 27.740 -0.229 0.000 2.049 441 C HN 0.550 nan 8.230 nan 0.000 0.477 442 R N 0.660 121.262 120.500 0.169 0.000 2.105 442 R HA -0.157 4.183 4.340 0.001 0.000 0.239 442 R C 1.858 178.377 176.300 0.364 0.000 1.135 442 R CA 1.851 58.121 56.100 0.284 0.000 0.967 442 R CB -0.559 29.959 30.300 0.363 0.000 0.861 442 R HN 0.537 nan 8.270 nan 0.000 0.442 443 D N 0.434 121.101 120.400 0.445 0.000 2.104 443 D HA -0.191 4.450 4.640 0.001 0.000 0.194 443 D C 1.645 178.154 176.300 0.349 0.000 0.994 443 D CA 1.399 55.652 54.000 0.421 0.000 0.830 443 D CB -0.153 40.964 40.800 0.528 0.000 0.959 443 D HN 0.365 nan 8.370 nan 0.000 0.452 444 H N -1.182 118.087 119.070 0.331 0.000 2.546 444 H HA 0.121 4.678 4.556 0.001 0.000 0.277 444 H C 1.376 176.752 175.328 0.080 0.000 1.004 444 H CA 0.966 57.183 56.048 0.281 0.000 1.231 444 H CB 0.333 30.325 29.762 0.384 0.000 1.382 444 H HN 0.390 nan 8.280 nan 0.000 0.580 445 G N 0.907 109.753 108.800 0.076 0.000 2.143 445 G HA2 -0.261 3.699 3.960 0.001 0.000 0.249 445 G HA3 -0.261 3.699 3.960 0.001 0.000 0.249 445 G C 0.422 175.219 174.900 -0.172 0.000 0.981 445 G CA 0.134 45.024 45.100 -0.350 0.000 0.665 445 G HN 0.085 nan 8.290 nan 0.000 0.528 446 M N 0.195 119.763 119.600 -0.053 0.000 2.234 446 M HA 0.129 4.609 4.480 0.001 0.000 0.326 446 M C -1.498 174.851 176.300 0.081 0.000 1.077 446 M CA -0.642 54.684 55.300 0.045 0.000 1.052 446 M CB -0.753 31.811 32.600 -0.059 0.000 1.607 446 M HN 0.043 nan 8.290 nan 0.000 0.445 447 P HA 0.338 nan 4.420 nan 0.000 0.302 447 P C 0.078 177.414 177.300 0.061 0.000 1.307 447 P CA -0.431 62.628 63.100 -0.068 0.000 0.754 447 P CB 0.475 31.931 31.700 -0.407 0.000 1.298 448 G N -1.724 107.067 108.800 -0.016 0.000 2.543 448 G HA2 0.050 4.011 3.960 0.001 0.000 0.290 448 G HA3 0.050 4.011 3.960 0.001 0.000 0.290 448 G C 0.117 175.174 174.900 0.262 0.000 1.310 448 G CA -0.079 45.079 45.100 0.096 0.000 1.025 448 G HN 0.436 nan 8.290 nan 0.000 0.502 449 Y N 0.176 120.535 120.300 0.099 0.000 2.097 449 Y HA -0.214 4.336 4.550 0.000 0.000 0.282 449 Y C 2.694 178.678 175.900 0.140 0.000 1.152 449 Y CA 2.498 60.676 58.100 0.130 0.000 1.136 449 Y CB -0.144 38.318 38.460 0.004 0.000 0.975 449 Y HN 0.420 nan 8.280 nan 0.000 0.498 450 N N -0.433 118.297 118.700 0.051 0.000 2.084 450 N HA -0.181 4.559 4.740 0.001 0.000 0.190 450 N C 2.069 177.539 175.510 -0.067 0.000 1.030 450 N CA 1.595 54.608 53.050 -0.061 0.000 0.849 450 N CB -0.704 37.791 38.487 0.012 0.000 1.012 450 N HN 0.287 nan 8.380 nan 0.000 0.423 451 S N -0.691 114.952 115.700 -0.094 0.000 2.500 451 S HA -0.060 4.411 4.470 0.001 0.000 0.239 451 S C 1.340 175.796 174.600 -0.239 0.000 0.989 451 S CA 0.649 58.728 58.200 -0.201 0.000 0.951 451 S CB -0.140 62.868 63.200 -0.319 0.000 0.759 451 S HN 0.447 nan 8.310 nan 0.000 0.523 452 W N 0.430 121.721 121.300 -0.014 0.000 2.640 452 W HA 0.246 4.907 4.660 0.000 0.000 0.271 452 W C 2.307 178.838 176.519 0.020 0.000 1.218 452 W CA -0.543 56.823 57.345 0.035 0.000 1.382 452 W CB 0.040 29.497 29.460 -0.005 0.000 1.067 452 W HN -0.027 nan 8.180 nan 0.000 0.590 453 R N 0.492 121.029 120.500 0.061 0.000 2.127 453 R HA -0.087 4.253 4.340 0.001 0.000 0.238 453 R C 2.105 178.433 176.300 0.046 0.000 1.134 453 R CA 1.470 57.532 56.100 -0.063 0.000 0.975 453 R CB -1.239 28.889 30.300 -0.287 0.000 0.865 453 R HN 0.340 nan 8.270 nan 0.000 0.447 454 G N 0.418 109.253 108.800 0.059 0.000 2.464 454 G HA2 -0.292 3.669 3.960 0.001 0.000 0.214 454 G HA3 -0.292 3.669 3.960 0.001 0.000 0.214 454 G C 1.279 176.252 174.900 0.123 0.000 1.218 454 G CA 0.402 45.537 45.100 0.058 0.000 0.794 454 G HN 0.304 nan 8.290 nan 0.000 0.542 455 F N 1.068 121.051 119.950 0.056 0.000 2.204 455 F HA -0.271 4.257 4.527 0.001 0.000 0.301 455 F C 2.206 178.092 175.800 0.143 0.000 1.058 455 F CA 1.574 59.645 58.000 0.118 0.000 1.313 455 F CB -0.167 39.005 39.000 0.286 0.000 1.051 455 F HN 0.188 nan 8.300 nan 0.000 0.505 456 c N -0.463 118.217 118.600 0.132 0.000 2.791 456 c HA 0.520 5.090 4.570 0.001 0.000 0.288 456 c C 1.625 175.761 174.090 0.076 0.000 1.271 456 c CA 0.508 56.885 56.329 0.080 0.000 1.726 456 c CB -0.461 42.161 42.510 0.187 0.000 2.145 456 c HN 0.825 nan 8.230 nan 0.000 0.572 457 G N 0.759 109.587 108.800 0.046 0.000 2.226 457 G HA2 -0.106 3.854 3.960 0.001 0.000 0.176 457 G HA3 -0.106 3.854 3.960 0.001 0.000 0.176 457 G C -0.719 174.202 174.900 0.036 0.000 1.042 457 G CA -0.384 44.733 45.100 0.027 0.000 0.732 457 G HN 0.317 nan 8.290 nan 0.000 0.494 458 L N 0.906 122.148 121.223 0.033 0.000 2.341 458 L HA 0.795 5.135 4.340 0.001 0.000 0.267 458 L C 1.109 177.982 176.870 0.004 0.000 1.009 458 L CA -0.415 54.438 54.840 0.023 0.000 0.819 458 L CB 1.889 43.961 42.059 0.022 0.000 1.323 458 L HN 0.538 nan 8.230 nan 0.000 0.425 459 S N 0.789 116.494 115.700 0.008 0.000 2.552 459 S HA 0.129 4.600 4.470 0.001 0.000 0.289 459 S C -0.220 174.379 174.600 -0.002 0.000 1.304 459 S CA -0.441 57.764 58.200 0.007 0.000 1.063 459 S CB 0.107 63.318 63.200 0.019 0.000 0.848 459 S HN 0.577 nan 8.310 nan 0.000 0.499 460 Q N 3.697 123.496 119.800 -0.000 0.000 2.571 460 Q HA 0.299 4.640 4.340 0.001 0.000 0.222 460 Q C -2.130 173.891 176.000 0.035 0.000 1.167 460 Q CA -1.941 53.862 55.803 -0.001 0.000 0.966 460 Q CB 0.220 28.953 28.738 -0.007 0.000 1.274 460 Q HN 0.619 nan 8.270 nan 0.000 0.552 461 P HA -0.072 nan 4.420 nan 0.000 0.267 461 P C -0.391 176.952 177.300 0.071 0.000 1.200 461 P CA 0.162 63.306 63.100 0.073 0.000 0.772 461 P CB 1.230 32.992 31.700 0.103 0.000 0.855 462 K N -0.101 120.329 120.400 0.051 0.000 2.556 462 K HA 0.106 4.426 4.320 0.001 0.000 0.201 462 K C 0.753 177.372 176.600 0.032 0.000 1.423 462 K CA 0.215 56.528 56.287 0.043 0.000 1.010 462 K CB -0.240 32.283 32.500 0.039 0.000 1.409 462 K HN 0.528 nan 8.250 nan 0.000 0.538 463 T N 1.080 115.653 114.554 0.030 0.000 2.913 463 T HA 0.141 4.491 4.350 0.001 0.000 0.297 463 T C 1.272 175.983 174.700 0.020 0.000 1.029 463 T CA -0.705 61.409 62.100 0.023 0.000 1.104 463 T CB 1.293 70.174 68.868 0.022 0.000 0.964 463 T HN 0.077 nan 8.240 nan 0.000 0.532 464 L N 0.722 121.953 121.223 0.012 0.000 2.191 464 L HA 0.016 4.356 4.340 0.001 0.000 0.212 464 L C 1.983 178.860 176.870 0.011 0.000 1.103 464 L CA 1.771 56.615 54.840 0.007 0.000 0.769 464 L CB -0.821 41.239 42.059 0.001 0.000 0.908 464 L HN 0.813 nan 8.230 nan 0.000 0.438 465 K N -0.243 120.166 120.400 0.014 0.000 2.296 465 K HA 0.003 4.324 4.320 0.001 0.000 0.200 465 K C 1.974 178.586 176.600 0.020 0.000 1.048 465 K CA 0.798 57.094 56.287 0.015 0.000 0.966 465 K CB -0.050 32.459 32.500 0.014 0.000 0.754 465 K HN 0.498 nan 8.250 nan 0.000 0.466 466 G N 0.842 109.657 108.800 0.025 0.000 2.396 466 G HA2 -0.195 3.765 3.960 0.001 0.000 0.214 466 G HA3 -0.195 3.765 3.960 0.001 0.000 0.214 466 G C 1.303 176.229 174.900 0.043 0.000 1.166 466 G CA 0.219 45.340 45.100 0.034 0.000 0.793 466 G HN 0.217 nan 8.290 nan 0.000 0.533 467 L N 0.446 121.693 121.223 0.040 0.000 2.079 467 L HA -0.067 4.273 4.340 0.001 0.000 0.210 467 L C 2.953 179.840 176.870 0.029 0.000 1.081 467 L CA 1.764 56.629 54.840 0.041 0.000 0.752 467 L CB -0.317 41.748 42.059 0.010 0.000 0.896 467 L HN 0.277 nan 8.230 nan 0.000 0.433 468 Q N -0.900 118.912 119.800 0.019 0.000 2.084 468 Q HA -0.225 4.115 4.340 0.001 0.000 0.202 468 Q C 2.300 178.312 176.000 0.020 0.000 0.978 468 Q CA 1.569 57.380 55.803 0.014 0.000 0.844 468 Q CB -0.388 28.357 28.738 0.011 0.000 0.898 468 Q HN 0.713 nan 8.270 nan 0.000 0.426 469 A N 0.382 123.218 122.820 0.027 0.000 1.865 469 A HA -0.181 4.139 4.320 0.001 0.000 0.217 469 A C 2.339 179.944 177.584 0.036 0.000 1.191 469 A CA 1.653 53.707 52.037 0.028 0.000 0.623 469 A CB -0.882 18.136 19.000 0.030 0.000 0.826 469 A HN 0.223 nan 8.150 nan 0.000 0.444 470 V N -0.492 119.453 119.914 0.052 0.000 2.244 470 V HA -0.179 3.941 4.120 0.001 0.000 0.244 470 V C 2.407 178.534 176.094 0.056 0.000 1.042 470 V CA 1.803 64.146 62.300 0.071 0.000 1.006 470 V CB -0.621 31.280 31.823 0.129 0.000 0.641 470 V HN 0.483 nan 8.190 nan 0.000 0.446 471 L N -0.225 121.022 121.223 0.040 0.000 2.362 471 L HA 0.048 4.388 4.340 0.001 0.000 0.219 471 L C 1.361 178.236 176.870 0.007 0.000 1.134 471 L CA 1.012 55.860 54.840 0.013 0.000 0.807 471 L CB -1.553 40.497 42.059 -0.015 0.000 0.927 471 L HN 0.470 nan 8.230 nan 0.000 0.447 472 K N 1.686 122.094 120.400 0.012 0.000 3.689 472 K HA -0.246 4.074 4.320 0.001 0.000 0.276 472 K C -0.345 176.256 176.600 0.002 0.000 0.932 472 K CA 0.682 56.974 56.287 0.008 0.000 0.758 472 K CB -1.176 31.329 32.500 0.008 0.000 1.500 472 K HN 0.493 nan 8.250 nan 0.000 0.448 473 N N 0.585 119.286 118.700 0.001 0.000 5.121 473 N HA 0.042 4.782 4.740 0.001 0.000 0.158 473 N C -0.204 175.305 175.510 -0.002 0.000 1.033 473 N CA -0.469 52.580 53.050 -0.002 0.000 1.122 473 N CB 0.779 39.261 38.487 -0.007 0.000 1.541 473 N HN 0.067 nan 8.380 nan 0.000 0.993 474 K N 2.421 122.821 120.400 0.001 0.000 1.980 474 K HA 0.118 4.439 4.320 0.001 0.000 0.208 474 K C 1.842 178.442 176.600 0.000 0.000 1.043 474 K CA 1.681 57.968 56.287 0.001 0.000 0.938 474 K CB -0.230 32.271 32.500 0.003 0.000 0.724 474 K HN 0.663 nan 8.250 nan 0.000 0.438 475 I N 0.429 121.000 120.570 0.002 0.000 2.502 475 I HA -0.224 3.946 4.170 0.001 0.000 0.258 475 I C 1.757 177.875 176.117 0.002 0.000 1.172 475 I CA 1.167 62.469 61.300 0.003 0.000 1.430 475 I CB 0.045 38.048 38.000 0.005 0.000 1.086 475 I HN 0.095 nan 8.210 nan 0.000 0.440 476 L N 1.719 122.941 121.223 -0.002 0.000 2.102 476 L HA 0.177 4.518 4.340 0.001 0.000 0.202 476 L C 2.610 179.473 176.870 -0.011 0.000 1.076 476 L CA 1.986 56.823 54.840 -0.006 0.000 0.761 476 L CB -1.175 40.876 42.059 -0.014 0.000 0.921 476 L HN 0.222 nan 8.230 nan 0.000 0.444 477 A N -0.406 122.406 122.820 -0.014 0.000 1.986 477 A HA -0.274 4.046 4.320 0.001 0.000 0.220 477 A C 2.428 180.007 177.584 -0.009 0.000 1.171 477 A CA 2.173 54.200 52.037 -0.017 0.000 0.640 477 A CB -0.577 18.418 19.000 -0.009 0.000 0.811 477 A HN 0.559 nan 8.150 nan 0.000 0.451 478 K N -0.405 119.993 120.400 -0.003 0.000 2.020 478 K HA -0.036 4.285 4.320 0.001 0.000 0.206 478 K C 1.992 178.592 176.600 0.001 0.000 1.038 478 K CA 1.017 57.303 56.287 -0.002 0.000 0.947 478 K CB -0.211 32.289 32.500 -0.000 0.000 0.744 478 K HN 0.320 nan 8.250 nan 0.000 0.442 479 K N 0.750 121.153 120.400 0.004 0.000 2.107 479 K HA -0.223 4.098 4.320 0.001 0.000 0.211 479 K C 2.102 178.710 176.600 0.014 0.000 1.049 479 K CA 1.368 57.659 56.287 0.007 0.000 0.927 479 K CB -0.316 32.192 32.500 0.014 0.000 0.714 479 K HN 0.086 nan 8.250 nan 0.000 0.452 480 L N 1.096 122.335 121.223 0.027 0.000 1.956 480 L HA -0.209 4.131 4.340 0.001 0.000 0.216 480 L C 1.935 178.866 176.870 0.101 0.000 1.073 480 L CA 1.776 56.660 54.840 0.073 0.000 0.762 480 L CB -0.824 41.253 42.059 0.031 0.000 0.889 480 L HN 0.200 nan 8.230 nan 0.000 0.433 481 L N -3.441 117.811 121.223 0.048 0.000 2.591 481 L HA 0.187 4.528 4.340 0.001 0.000 0.228 481 L C 1.337 178.185 176.870 -0.036 0.000 1.133 481 L CA 0.648 55.502 54.840 0.025 0.000 0.880 481 L CB -1.337 40.717 42.059 -0.008 0.000 1.033 481 L HN 0.051 nan 8.230 nan 0.000 0.450 482 D N 0.188 120.568 120.400 -0.032 0.000 2.350 482 D HA -0.008 4.632 4.640 0.001 0.000 0.216 482 D C 1.924 178.179 176.300 -0.075 0.000 0.968 482 D CA 1.036 55.009 54.000 -0.044 0.000 0.894 482 D CB 0.202 40.985 40.800 -0.027 0.000 0.909 482 D HN 0.434 nan 8.370 nan 0.000 0.520 483 L N -1.651 119.510 121.223 -0.103 0.000 2.435 483 L HA 0.051 4.391 4.340 0.001 0.000 0.195 483 L C 1.508 178.183 176.870 -0.325 0.000 1.072 483 L CA 0.227 54.933 54.840 -0.223 0.000 0.833 483 L CB 0.005 41.882 42.059 -0.304 0.000 1.081 483 L HN -0.066 nan 8.230 nan 0.000 0.485 484 Y N -0.177 120.068 120.300 -0.091 0.000 2.448 484 Y HA -0.005 4.545 4.550 0.001 0.000 0.289 484 Y C 1.300 177.042 175.900 -0.263 0.000 1.114 484 Y CA 0.001 58.029 58.100 -0.120 0.000 1.235 484 Y CB 0.342 38.747 38.460 -0.092 0.000 1.045 484 Y HN -0.016 nan 8.280 nan 0.000 0.554 485 K N -0.712 119.574 120.400 -0.190 0.000 3.612 485 K HA -0.215 4.105 4.320 0.001 0.000 0.274 485 K C 0.205 176.537 176.600 -0.447 0.000 1.123 485 K CA 1.462 57.471 56.287 -0.464 0.000 1.059 485 K CB -1.773 30.112 32.500 -1.025 0.000 1.330 485 K HN 0.375 nan 8.250 nan 0.000 0.477 486 T N -0.993 113.410 114.554 -0.252 0.000 3.159 486 T HA 0.425 4.776 4.350 0.001 0.000 0.343 486 T C -2.541 172.138 174.700 -0.036 0.000 1.364 486 T CA -0.933 61.090 62.100 -0.127 0.000 1.102 486 T CB 1.949 70.757 68.868 -0.100 0.000 1.263 486 T HN -0.274 nan 8.240 nan 0.000 0.477 487 P HA -0.073 nan 4.420 nan 0.000 0.217 487 P C 0.829 178.169 177.300 0.067 0.000 1.148 487 P CA 1.022 64.147 63.100 0.041 0.000 0.834 487 P CB 0.161 31.917 31.700 0.093 0.000 0.783 488 D N -1.652 118.775 120.400 0.045 0.000 2.350 488 D HA -0.077 4.564 4.640 0.001 0.000 0.216 488 D C 1.125 177.425 176.300 0.000 0.000 0.968 488 D CA 0.881 54.903 54.000 0.036 0.000 0.894 488 D CB -0.383 40.436 40.800 0.032 0.000 0.909 488 D HN 0.218 nan 8.370 nan 0.000 0.520 489 N N -0.295 118.390 118.700 -0.025 0.000 2.250 489 N HA 0.140 4.880 4.740 0.001 0.000 0.190 489 N C 0.445 175.813 175.510 -0.237 0.000 1.116 489 N CA -0.158 52.864 53.050 -0.047 0.000 0.881 489 N CB 0.867 39.399 38.487 0.074 0.000 1.006 489 N HN 0.150 nan 8.380 nan 0.000 0.491 490 I N 1.980 122.260 120.570 -0.485 0.000 2.826 490 I HA -0.108 4.063 4.170 0.001 0.000 0.295 490 I C 0.112 175.934 176.117 -0.491 0.000 1.213 490 I CA 0.373 61.065 61.300 -1.014 0.000 1.436 490 I CB 0.219 37.819 38.000 -0.666 0.000 1.348 490 I HN -0.020 nan 8.210 nan 0.000 0.570 491 D N 5.919 126.042 120.400 -0.461 0.000 2.458 491 D HA -0.044 4.596 4.640 0.001 0.000 0.243 491 D C 1.096 177.413 176.300 0.028 0.000 1.146 491 D CA -0.025 53.942 54.000 -0.054 0.000 0.877 491 D CB 1.389 42.260 40.800 0.117 0.000 1.176 491 D HN 0.442 nan 8.370 nan 0.000 0.461 492 I N 3.232 123.860 120.570 0.096 0.000 2.151 492 I HA -0.254 3.916 4.170 0.001 0.000 0.243 492 I C 1.937 178.135 176.117 0.136 0.000 1.080 492 I CA 1.494 62.864 61.300 0.118 0.000 1.339 492 I CB -0.298 37.702 38.000 -0.000 0.000 1.039 492 I HN 0.643 nan 8.210 nan 0.000 0.409 493 W N 0.719 122.023 121.300 0.006 0.000 2.317 493 W HA -0.280 4.381 4.660 0.001 0.000 0.318 493 W C 2.480 179.033 176.519 0.057 0.000 1.227 493 W CA 2.311 59.693 57.345 0.061 0.000 1.269 493 W CB -0.495 29.036 29.460 0.119 0.000 1.155 493 W HN 0.211 nan 8.180 nan 0.000 0.484 494 I N 0.734 121.356 120.570 0.087 0.000 2.193 494 I HA -0.090 4.080 4.170 0.001 0.000 0.240 494 I C 2.373 178.363 176.117 -0.211 0.000 1.084 494 I CA 2.064 63.263 61.300 -0.168 0.000 1.365 494 I CB -1.622 36.437 38.000 0.098 0.000 1.064 494 I HN 0.178 nan 8.210 nan 0.000 0.410 495 G N 0.163 108.853 108.800 -0.183 0.000 2.442 495 G HA2 -0.246 3.714 3.960 0.001 0.000 0.219 495 G HA3 -0.246 3.714 3.960 0.001 0.000 0.219 495 G C 1.621 176.418 174.900 -0.173 0.000 1.141 495 G CA 0.866 45.741 45.100 -0.375 0.000 0.763 495 G HN 0.524 nan 8.290 nan 0.000 0.554 496 G N 0.517 109.330 108.800 0.021 0.000 2.394 496 G HA2 -0.179 3.781 3.960 0.001 0.000 0.214 496 G HA3 -0.179 3.781 3.960 0.001 0.000 0.214 496 G C 1.661 176.540 174.900 -0.035 0.000 1.176 496 G CA 0.761 45.911 45.100 0.083 0.000 0.786 496 G HN 0.472 nan 8.290 nan 0.000 0.533 497 N N 1.136 119.731 118.700 -0.174 0.000 2.309 497 N HA -0.063 4.677 4.740 0.001 0.000 0.182 497 N C 2.517 177.937 175.510 -0.151 0.000 1.018 497 N CA 0.780 53.709 53.050 -0.201 0.000 0.876 497 N CB -0.075 38.177 38.487 -0.392 0.000 0.972 497 N HN 0.318 nan 8.380 nan 0.000 0.434 498 A N 1.681 124.405 122.820 -0.159 0.000 1.978 498 A HA -0.129 4.191 4.320 0.001 0.000 0.220 498 A C 0.886 178.428 177.584 -0.070 0.000 1.170 498 A CA 0.888 52.850 52.037 -0.125 0.000 0.636 498 A CB -0.250 18.647 19.000 -0.172 0.000 0.810 498 A HN 0.353 nan 8.150 nan 0.000 0.448 499 E N 1.229 121.410 120.200 -0.032 0.000 2.398 499 E HA 0.210 4.561 4.350 0.001 0.000 0.263 499 E C -2.322 174.273 176.600 -0.009 0.000 1.046 499 E CA -1.769 54.637 56.400 0.010 0.000 0.908 499 E CB 0.062 29.801 29.700 0.065 0.000 0.963 499 E HN 0.359 nan 8.360 nan 0.000 0.431 500 P HA -0.019 nan 4.420 nan 0.000 0.272 500 P C -0.586 176.706 177.300 -0.013 0.000 1.230 500 P CA 0.037 63.131 63.100 -0.010 0.000 0.788 500 P CB 0.613 32.311 31.700 -0.003 0.000 0.949 501 M N 1.480 121.067 119.600 -0.022 0.000 2.217 501 M HA 0.142 4.623 4.480 0.001 0.000 0.354 501 M C 0.884 177.171 176.300 -0.022 0.000 1.225 501 M CA -0.639 54.642 55.300 -0.032 0.000 1.137 501 M CB 0.595 33.171 32.600 -0.040 0.000 1.576 501 M HN 0.176 nan 8.290 nan 0.000 0.461 502 V N 0.149 120.050 119.914 -0.022 0.000 3.432 502 V HA 0.095 4.216 4.120 0.001 0.000 0.304 502 V C 0.338 176.422 176.094 -0.017 0.000 1.107 502 V CA -0.728 61.567 62.300 -0.008 0.000 1.153 502 V CB 0.375 32.200 31.823 0.002 0.000 1.072 502 V HN 0.957 nan 8.190 nan 0.000 0.485 503 E N 2.242 122.436 120.200 -0.011 0.000 2.493 503 E HA 0.074 4.425 4.350 0.001 0.000 0.255 503 E C 0.505 177.088 176.600 -0.028 0.000 0.999 503 E CA 0.290 56.679 56.400 -0.017 0.000 0.934 503 E CB -0.052 29.641 29.700 -0.011 0.000 0.940 503 E HN 0.721 nan 8.360 nan 0.000 0.473 504 R N 1.512 121.988 120.500 -0.040 0.000 3.770 504 R HA -0.203 4.138 4.340 0.001 0.000 0.305 504 R C 0.212 176.467 176.300 -0.075 0.000 1.184 504 R CA 0.558 56.623 56.100 -0.058 0.000 0.823 504 R CB -2.140 28.128 30.300 -0.053 0.000 1.285 504 R HN 0.654 nan 8.270 nan 0.000 0.499 505 G N -0.794 107.965 108.800 -0.070 0.000 3.209 505 G HA2 0.624 4.585 3.960 0.001 0.000 0.236 505 G HA3 0.624 4.585 3.960 0.001 0.000 0.236 505 G C 0.168 175.020 174.900 -0.081 0.000 1.329 505 G CA -0.613 44.436 45.100 -0.085 0.000 1.015 505 G HN 0.043 nan 8.290 nan 0.000 0.571 506 R N -0.776 119.662 120.500 -0.103 0.000 2.549 506 R HA 0.295 4.635 4.340 0.001 0.000 0.399 506 R C -0.244 175.932 176.300 -0.206 0.000 0.964 506 R CA -0.005 56.044 56.100 -0.084 0.000 1.173 506 R CB 0.246 30.587 30.300 0.068 0.000 1.535 506 R HN 0.729 nan 8.270 nan 0.000 0.551 507 V N -3.881 115.900 119.914 -0.222 0.000 3.147 507 V HA 0.932 5.052 4.120 0.001 0.000 0.306 507 V C 0.207 176.231 176.094 -0.118 0.000 1.209 507 V CA -0.893 61.267 62.300 -0.233 0.000 1.023 507 V CB 1.873 33.467 31.823 -0.383 0.000 1.059 507 V HN 0.058 nan 8.190 nan 0.000 0.435 508 G N 1.058 109.814 108.800 -0.072 0.000 2.508 508 G HA2 0.562 4.522 3.960 0.001 0.000 0.278 508 G HA3 0.562 4.522 3.960 0.001 0.000 0.278 508 G C -1.770 173.130 174.900 0.000 0.000 1.389 508 G CA -0.837 44.250 45.100 -0.022 0.000 1.050 508 G HN 0.645 nan 8.290 nan 0.000 0.522 509 P HA -0.133 nan 4.420 nan 0.000 0.215 509 P C 2.080 179.411 177.300 0.052 0.000 1.163 509 P CA 0.766 63.904 63.100 0.063 0.000 0.894 509 P CB 0.081 31.823 31.700 0.071 0.000 0.791 510 L N -1.539 119.711 121.223 0.045 0.000 2.072 510 L HA -0.068 4.272 4.340 0.001 0.000 0.205 510 L C 2.036 178.904 176.870 -0.004 0.000 1.079 510 L CA 1.779 56.641 54.840 0.036 0.000 0.752 510 L CB -1.377 40.710 42.059 0.047 0.000 0.906 510 L HN -0.122 nan 8.230 nan 0.000 0.436 511 L N -0.256 120.959 121.223 -0.014 0.000 2.141 511 L HA -0.040 4.301 4.340 0.001 0.000 0.209 511 L C 2.694 179.522 176.870 -0.070 0.000 1.094 511 L CA 1.781 56.601 54.840 -0.033 0.000 0.763 511 L CB -1.939 40.094 42.059 -0.042 0.000 0.908 511 L HN 0.382 nan 8.230 nan 0.000 0.437 512 A N -1.251 121.516 122.820 -0.088 0.000 1.933 512 A HA -0.275 4.046 4.320 0.001 0.000 0.218 512 A C 2.632 180.004 177.584 -0.354 0.000 1.175 512 A CA 1.719 53.681 52.037 -0.125 0.000 0.628 512 A CB -1.176 17.808 19.000 -0.027 0.000 0.814 512 A HN 0.560 nan 8.150 nan 0.000 0.444 513 c N -0.471 117.884 118.600 -0.407 0.000 2.462 513 c HA 0.008 4.578 4.570 0.001 0.000 0.278 513 c C 2.559 176.326 174.090 -0.537 0.000 1.253 513 c CA 1.187 56.997 56.329 -0.865 0.000 1.713 513 c CB -1.534 40.751 42.510 -0.374 0.000 2.049 513 c HN 0.570 nan 8.230 nan 0.000 0.477 514 L N 0.617 121.769 121.223 -0.119 0.000 2.131 514 L HA -0.121 4.219 4.340 0.001 0.000 0.210 514 L C 2.592 179.573 176.870 0.186 0.000 1.092 514 L CA 1.283 56.200 54.840 0.129 0.000 0.759 514 L CB -0.478 41.604 42.059 0.037 0.000 0.903 514 L HN 0.465 nan 8.230 nan 0.000 0.435 515 L N -1.257 120.024 121.223 0.096 0.000 2.084 515 L HA 0.017 4.357 4.340 0.001 0.000 0.202 515 L C 2.735 179.730 176.870 0.209 0.000 1.074 515 L CA 1.036 56.030 54.840 0.256 0.000 0.757 515 L CB -1.328 40.876 42.059 0.242 0.000 0.918 515 L HN 0.251 nan 8.230 nan 0.000 0.444 516 G N 0.515 109.316 108.800 0.001 0.000 2.599 516 G HA2 -0.309 3.651 3.960 0.001 0.000 0.219 516 G HA3 -0.309 3.651 3.960 0.001 0.000 0.219 516 G C 1.701 176.674 174.900 0.123 0.000 1.193 516 G CA 0.883 46.000 45.100 0.029 0.000 0.778 516 G HN 0.247 nan 8.290 nan 0.000 0.589 517 R N -0.270 120.219 120.500 -0.019 0.000 2.097 517 R HA -0.146 4.194 4.340 0.001 0.000 0.236 517 R C 2.683 179.066 176.300 0.139 0.000 1.135 517 R CA 1.756 57.906 56.100 0.083 0.000 0.934 517 R CB -0.681 29.584 30.300 -0.058 0.000 0.846 517 R HN 0.432 nan 8.270 nan 0.000 0.431 518 Q N 0.508 120.418 119.800 0.183 0.000 2.029 518 Q HA -0.208 4.132 4.340 0.001 0.000 0.209 518 Q C 1.861 177.727 176.000 -0.223 0.000 0.999 518 Q CA 2.032 57.779 55.803 -0.093 0.000 0.857 518 Q CB -0.492 27.830 28.738 -0.694 0.000 0.926 518 Q HN 0.230 nan 8.270 nan 0.000 0.415 519 F N 0.991 120.906 119.950 -0.059 0.000 2.095 519 F HA -0.234 4.294 4.527 0.001 0.000 0.298 519 F C 2.584 178.516 175.800 0.221 0.000 1.104 519 F CA 1.925 59.963 58.000 0.063 0.000 1.232 519 F CB -0.940 38.038 39.000 -0.036 0.000 0.987 519 F HN 0.382 nan 8.300 nan 0.000 0.475 520 Q N 0.551 120.563 119.800 0.353 0.000 2.077 520 Q HA -0.304 4.036 4.340 0.001 0.000 0.206 520 Q C 2.044 178.143 176.000 0.164 0.000 0.989 520 Q CA 2.250 58.213 55.803 0.267 0.000 0.853 520 Q CB -0.475 28.397 28.738 0.224 0.000 0.907 520 Q HN 0.524 nan 8.270 nan 0.000 0.418 521 Q N 0.423 120.302 119.800 0.132 0.000 2.135 521 Q HA -0.143 4.197 4.340 0.001 0.000 0.204 521 Q C 2.232 178.294 176.000 0.104 0.000 0.981 521 Q CA 1.825 57.687 55.803 0.098 0.000 0.856 521 Q CB -0.338 28.453 28.738 0.088 0.000 0.902 521 Q HN 0.735 nan 8.270 nan 0.000 0.425 522 I N -2.205 118.424 120.570 0.098 0.000 3.428 522 I HA -0.017 4.153 4.170 0.001 0.000 0.286 522 I C 2.193 178.449 176.117 0.232 0.000 1.287 522 I CA 0.599 61.982 61.300 0.139 0.000 1.396 522 I CB -0.097 37.952 38.000 0.082 0.000 1.062 522 I HN 0.012 nan 8.210 nan 0.000 0.471 523 R N 1.424 121.959 120.500 0.058 0.000 2.146 523 R HA -0.017 4.323 4.340 0.001 0.000 0.206 523 R C 1.028 177.147 176.300 -0.300 0.000 1.049 523 R CA 1.114 56.939 56.100 -0.458 0.000 1.029 523 R CB -0.012 29.748 30.300 -0.900 0.000 0.949 523 R HN 0.276 nan 8.270 nan 0.000 0.471 524 D N -0.490 119.904 120.400 -0.010 0.000 2.289 524 D HA 0.051 4.691 4.640 0.001 0.000 0.207 524 D C 1.278 177.724 176.300 0.244 0.000 0.966 524 D CA 1.064 55.148 54.000 0.139 0.000 0.868 524 D CB 0.152 41.006 40.800 0.090 0.000 0.943 524 D HN 0.442 nan 8.370 nan 0.000 0.514 525 G N -0.318 108.645 108.800 0.272 0.000 3.088 525 G HA2 -0.023 3.938 3.960 0.001 0.000 0.217 525 G HA3 -0.023 3.938 3.960 0.001 0.000 0.217 525 G C -0.036 175.258 174.900 0.657 0.000 1.159 525 G CA -0.255 45.080 45.100 0.391 0.000 0.760 525 G HN 0.029 nan 8.290 nan 0.000 0.550 526 D N 0.146 120.902 120.400 0.594 0.000 2.347 526 D HA 0.174 4.814 4.640 0.001 0.000 0.235 526 D C 1.477 177.932 176.300 0.258 0.000 1.149 526 D CA -0.707 53.633 54.000 0.566 0.000 0.850 526 D CB 1.005 42.206 40.800 0.669 0.000 1.061 526 D HN 0.071 nan 8.370 nan 0.000 0.487 527 R N 2.820 123.211 120.500 -0.182 0.000 2.241 527 R HA -0.054 4.287 4.340 0.001 0.000 0.224 527 R C 0.460 176.491 176.300 -0.448 0.000 1.101 527 R CA 1.057 56.667 56.100 -0.816 0.000 0.995 527 R CB -0.035 29.667 30.300 -0.995 0.000 0.870 527 R HN 0.411 nan 8.270 nan 0.000 0.463 528 F N -0.710 119.173 119.950 -0.111 0.000 2.647 528 F HA 0.168 4.696 4.527 0.001 0.000 0.300 528 F C 0.278 176.168 175.800 0.149 0.000 1.106 528 F CA -0.860 57.129 58.000 -0.019 0.000 1.313 528 F CB 0.061 39.014 39.000 -0.078 0.000 1.007 528 F HN 0.083 nan 8.300 nan 0.000 0.536 529 W N 3.165 124.564 121.300 0.165 0.000 2.295 529 W HA -0.136 4.524 4.660 0.000 0.000 0.335 529 W C 1.249 177.868 176.519 0.167 0.000 1.351 529 W CA -0.439 56.982 57.345 0.127 0.000 1.273 529 W CB 0.431 29.821 29.460 -0.116 0.000 1.214 529 W HN 0.493 nan 8.180 nan 0.000 0.563 530 W N 4.732 125.803 121.300 -0.382 0.000 2.305 530 W HA -0.255 4.406 4.660 0.000 0.000 0.308 530 W C 1.195 177.766 176.519 0.088 0.000 1.226 530 W CA 1.763 59.104 57.345 -0.006 0.000 1.253 530 W CB -1.081 28.213 29.460 -0.275 0.000 1.146 530 W HN 0.460 nan 8.180 nan 0.000 0.507 531 E N 0.802 120.412 120.200 -0.983 0.000 2.204 531 E HA -0.185 4.165 4.350 0.001 0.000 0.194 531 E C 0.475 177.117 176.600 0.071 0.000 0.989 531 E CA 0.434 56.493 56.400 -0.568 0.000 0.824 531 E CB -0.431 28.844 29.700 -0.708 0.000 0.756 531 E HN 0.165 nan 8.360 nan 0.000 0.477 532 N N 1.984 120.849 118.700 0.276 0.000 2.447 532 N HA -0.015 4.726 4.740 0.001 0.000 0.263 532 N C -2.658 172.941 175.510 0.147 0.000 1.226 532 N CA -1.154 52.093 53.050 0.329 0.000 0.906 532 N CB 0.646 39.337 38.487 0.340 0.000 1.060 532 N HN -0.267 nan 8.380 nan 0.000 0.468 533 P HA 0.045 nan 4.420 nan 0.000 0.261 533 P C 0.701 178.005 177.300 0.007 0.000 1.173 533 P CA 0.907 64.036 63.100 0.049 0.000 0.760 533 P CB 0.464 32.181 31.700 0.029 0.000 0.783 534 G N 1.435 110.234 108.800 -0.002 0.000 2.349 534 G HA2 -0.297 3.663 3.960 0.001 0.000 0.213 534 G HA3 -0.297 3.663 3.960 0.001 0.000 0.213 534 G C 1.050 175.888 174.900 -0.103 0.000 1.044 534 G CA 0.131 45.195 45.100 -0.060 0.000 0.633 534 G HN 0.380 nan 8.290 nan 0.000 0.506 535 V N 0.219 120.079 119.914 -0.090 0.000 2.490 535 V HA 0.276 4.396 4.120 0.001 0.000 0.250 535 V C 1.183 177.063 176.094 -0.357 0.000 1.061 535 V CA 2.170 64.361 62.300 -0.183 0.000 1.064 535 V CB -0.534 31.277 31.823 -0.020 0.000 0.670 535 V HN 0.372 nan 8.190 nan 0.000 0.461 536 F N -1.632 118.351 119.950 0.055 0.000 2.715 536 F HA 0.528 5.055 4.527 0.000 0.000 0.318 536 F C 0.285 176.079 175.800 -0.009 0.000 1.141 536 F CA -0.537 57.492 58.000 0.049 0.000 0.950 536 F CB 1.679 40.764 39.000 0.140 0.000 1.374 536 F HN -0.209 nan 8.300 nan 0.000 0.477 537 T N -2.531 112.107 114.554 0.139 0.000 2.936 537 T HA 0.267 4.617 4.350 0.001 0.000 0.282 537 T C 0.834 175.559 174.700 0.043 0.000 1.003 537 T CA -0.367 61.757 62.100 0.041 0.000 1.005 537 T CB 1.623 70.469 68.868 -0.037 0.000 1.097 537 T HN 0.818 nan 8.240 nan 0.000 0.532 538 E N 0.541 120.756 120.200 0.026 0.000 2.114 538 E HA -0.241 4.110 4.350 0.001 0.000 0.199 538 E C 1.852 178.465 176.600 0.021 0.000 1.008 538 E CA 1.523 57.942 56.400 0.032 0.000 0.810 538 E CB -0.055 29.657 29.700 0.021 0.000 0.739 538 E HN 0.690 nan 8.360 nan 0.000 0.456 539 K N -0.378 120.012 120.400 -0.018 0.000 2.167 539 K HA -0.072 4.248 4.320 0.001 0.000 0.203 539 K C 2.330 178.887 176.600 -0.073 0.000 1.052 539 K CA 0.903 57.170 56.287 -0.033 0.000 0.956 539 K CB 0.132 32.601 32.500 -0.051 0.000 0.735 539 K HN 0.191 nan 8.250 nan 0.000 0.451 540 Q N -0.086 119.612 119.800 -0.170 0.000 2.079 540 Q HA -0.094 4.246 4.340 0.001 0.000 0.200 540 Q C 2.055 178.057 176.000 0.005 0.000 0.974 540 Q CA 1.068 56.667 55.803 -0.338 0.000 0.840 540 Q CB 0.051 28.458 28.738 -0.552 0.000 0.898 540 Q HN 0.203 nan 8.270 nan 0.000 0.430 541 R N 0.722 121.263 120.500 0.068 0.000 2.070 541 R HA -0.146 4.195 4.340 0.001 0.000 0.233 541 R C 1.863 178.261 176.300 0.164 0.000 1.137 541 R CA 1.437 57.636 56.100 0.165 0.000 0.945 541 R CB -0.302 30.124 30.300 0.209 0.000 0.845 541 R HN 0.277 nan 8.270 nan 0.000 0.430 542 D N 0.088 120.559 120.400 0.119 0.000 2.170 542 D HA -0.188 4.452 4.640 0.001 0.000 0.193 542 D C 1.827 178.190 176.300 0.105 0.000 1.004 542 D CA 1.510 55.574 54.000 0.106 0.000 0.860 542 D CB -0.224 40.619 40.800 0.073 0.000 0.931 542 D HN 0.081 nan 8.370 nan 0.000 0.448 543 S N -0.805 114.967 115.700 0.120 0.000 2.402 543 S HA -0.016 4.455 4.470 0.001 0.000 0.229 543 S C 2.084 176.747 174.600 0.105 0.000 1.021 543 S CA 0.324 58.608 58.200 0.140 0.000 0.974 543 S CB -0.075 63.280 63.200 0.258 0.000 0.800 543 S HN 0.204 nan 8.310 nan 0.000 0.484 544 L N 1.293 122.573 121.223 0.095 0.000 2.217 544 L HA -0.056 4.285 4.340 0.001 0.000 0.211 544 L C 2.496 179.318 176.870 -0.081 0.000 1.107 544 L CA 0.846 55.664 54.840 -0.036 0.000 0.783 544 L CB -0.441 41.519 42.059 -0.165 0.000 0.919 544 L HN 0.488 nan 8.230 nan 0.000 0.442 545 Q N 0.015 119.829 119.800 0.024 0.000 2.437 545 Q HA -0.161 4.180 4.340 0.001 0.000 0.210 545 Q C 1.380 177.395 176.000 0.025 0.000 0.972 545 Q CA 0.852 56.680 55.803 0.041 0.000 0.903 545 Q CB -0.258 28.564 28.738 0.141 0.000 0.967 545 Q HN 0.428 nan 8.270 nan 0.000 0.486 546 K N 1.192 121.602 120.400 0.016 0.000 2.444 546 K HA 0.091 4.411 4.320 0.001 0.000 0.193 546 K C 0.525 177.120 176.600 -0.008 0.000 1.024 546 K CA 0.046 56.339 56.287 0.010 0.000 1.077 546 K CB 0.344 32.851 32.500 0.012 0.000 0.833 546 K HN 0.120 nan 8.250 nan 0.000 0.517 547 V N 0.046 119.952 119.914 -0.014 0.000 3.376 547 V HA 0.214 4.334 4.120 0.001 0.000 0.303 547 V C 0.205 176.325 176.094 0.043 0.000 1.100 547 V CA -0.725 61.581 62.300 0.008 0.000 1.126 547 V CB 1.169 33.043 31.823 0.085 0.000 1.085 547 V HN 0.241 nan 8.190 nan 0.000 0.480 548 S N 0.099 115.844 115.700 0.075 0.000 2.558 548 S HA 0.457 4.927 4.470 0.001 0.000 0.277 548 S C -0.385 174.268 174.600 0.089 0.000 1.143 548 S CA -0.460 57.775 58.200 0.058 0.000 0.865 548 S CB 0.998 64.186 63.200 -0.021 0.000 1.102 548 S HN 0.736 nan 8.310 nan 0.000 0.454 549 F N 2.434 122.326 119.950 -0.095 0.000 2.293 549 F HA 0.004 4.531 4.527 0.000 0.000 0.300 549 F C 2.375 178.108 175.800 -0.111 0.000 1.086 549 F CA 1.929 59.863 58.000 -0.109 0.000 1.375 549 F CB -0.471 38.311 39.000 -0.363 0.000 1.045 549 F HN 0.687 nan 8.300 nan 0.000 0.516 550 S N 0.144 115.769 115.700 -0.124 0.000 2.359 550 S HA -0.259 4.211 4.470 0.001 0.000 0.224 550 S C 2.004 176.491 174.600 -0.188 0.000 1.035 550 S CA 1.432 59.538 58.200 -0.157 0.000 1.018 550 S CB -0.483 62.632 63.200 -0.143 0.000 0.876 550 S HN 0.280 nan 8.310 nan 0.000 0.448 551 R N 1.292 121.693 120.500 -0.165 0.000 2.120 551 R HA 0.042 4.382 4.340 0.001 0.000 0.234 551 R C 2.098 178.255 176.300 -0.239 0.000 1.123 551 R CA 0.807 56.806 56.100 -0.168 0.000 0.975 551 R CB -0.952 29.265 30.300 -0.139 0.000 0.866 551 R HN 0.381 nan 8.270 nan 0.000 0.446 552 L N 0.205 121.230 121.223 -0.330 0.000 2.079 552 L HA -0.083 4.257 4.340 0.001 0.000 0.210 552 L C 1.836 178.475 176.870 -0.385 0.000 1.081 552 L CA 1.705 56.291 54.840 -0.423 0.000 0.752 552 L CB -0.285 41.425 42.059 -0.581 0.000 0.896 552 L HN 0.286 nan 8.230 nan 0.000 0.433 553 I N -1.875 118.461 120.570 -0.391 0.000 2.163 553 I HA -0.333 3.837 4.170 0.001 0.000 0.240 553 I C 2.463 178.482 176.117 -0.164 0.000 1.081 553 I CA 1.258 62.406 61.300 -0.253 0.000 1.353 553 I CB -0.670 37.224 38.000 -0.176 0.000 1.054 553 I HN 0.282 nan 8.210 nan 0.000 0.407 554 c N 0.909 119.426 118.600 -0.139 0.000 2.403 554 c HA -0.182 4.388 4.570 0.001 0.000 0.282 554 c C 2.119 176.138 174.090 -0.118 0.000 1.297 554 c CA 0.926 57.196 56.329 -0.099 0.000 1.785 554 c CB -1.132 41.328 42.510 -0.085 0.000 1.963 554 c HN 0.533 nan 8.230 nan 0.000 0.507 555 D N -0.368 119.940 120.400 -0.152 0.000 2.354 555 D HA 0.022 4.662 4.640 0.001 0.000 0.209 555 D C 1.003 177.206 176.300 -0.162 0.000 1.015 555 D CA 0.659 54.569 54.000 -0.151 0.000 0.867 555 D CB -0.341 40.360 40.800 -0.165 0.000 0.933 555 D HN 0.567 nan 8.370 nan 0.000 0.520 556 N N 0.350 118.944 118.700 -0.176 0.000 2.299 556 N HA 0.048 4.788 4.740 0.001 0.000 0.246 556 N C 0.038 175.431 175.510 -0.194 0.000 1.254 556 N CA 0.171 53.117 53.050 -0.173 0.000 0.879 556 N CB 1.883 40.281 38.487 -0.148 0.000 1.214 556 N HN 0.170 nan 8.380 nan 0.000 0.510 557 T N -3.247 111.167 114.554 -0.235 0.000 2.645 557 T HA 0.331 4.681 4.350 0.001 0.000 0.300 557 T C -0.343 174.135 174.700 -0.369 0.000 1.210 557 T CA -0.421 61.529 62.100 -0.249 0.000 1.034 557 T CB 1.511 70.319 68.868 -0.100 0.000 1.537 557 T HN 0.030 nan 8.240 nan 0.000 0.492 558 H N -0.940 118.150 119.070 0.035 0.000 2.486 558 H HA 0.523 5.079 4.556 0.000 0.000 0.284 558 H C -0.261 175.090 175.328 0.038 0.000 1.103 558 H CA -0.457 55.617 56.048 0.043 0.000 1.089 558 H CB -0.174 29.637 29.762 0.082 0.000 1.603 558 H HN 0.283 nan 8.280 nan 0.000 0.557 559 I N 0.032 120.654 120.570 0.088 0.000 2.779 559 I HA -0.022 4.148 4.170 0.001 0.000 0.285 559 I C 1.274 177.460 176.117 0.116 0.000 1.134 559 I CA 0.782 62.142 61.300 0.100 0.000 1.398 559 I CB 1.393 39.452 38.000 0.098 0.000 1.404 559 I HN 0.180 nan 8.210 nan 0.000 0.587 560 T N 2.423 117.076 114.554 0.166 0.000 3.057 560 T HA 0.185 4.535 4.350 0.001 0.000 0.254 560 T C 0.147 174.954 174.700 0.179 0.000 0.965 560 T CA 0.022 62.209 62.100 0.146 0.000 0.978 560 T CB 0.393 69.342 68.868 0.134 0.000 1.169 560 T HN 0.315 nan 8.240 nan 0.000 0.489 561 K N 3.027 123.602 120.400 0.291 0.000 2.235 561 K HA 0.696 5.016 4.320 0.001 0.000 0.266 561 K C -0.571 176.343 176.600 0.525 0.000 0.980 561 K CA -0.522 55.978 56.287 0.355 0.000 0.849 561 K CB 2.148 34.892 32.500 0.408 0.000 1.098 561 K HN 0.254 nan 8.250 nan 0.000 0.445 562 V N -0.881 119.220 119.914 0.312 0.000 3.178 562 V HA 0.579 4.699 4.120 0.001 0.000 0.302 562 V C -3.015 172.884 176.094 -0.325 0.000 1.262 562 V CA -2.635 59.716 62.300 0.085 0.000 1.030 562 V CB 2.078 33.932 31.823 0.052 0.000 1.074 562 V HN 0.425 nan 8.190 nan 0.000 0.438 563 P HA 0.479 nan 4.420 nan 0.000 0.274 563 P C 0.761 177.836 177.300 -0.375 0.000 1.231 563 P CA -0.368 62.377 63.100 -0.592 0.000 0.790 563 P CB 0.842 32.166 31.700 -0.626 0.000 0.951 564 L N 0.974 121.949 121.223 -0.413 0.000 2.131 564 L HA -0.026 4.314 4.340 0.001 0.000 0.206 564 L C 0.789 177.284 176.870 -0.625 0.000 1.087 564 L CA 1.169 55.691 54.840 -0.530 0.000 0.767 564 L CB -0.567 41.068 42.059 -0.708 0.000 0.917 564 L HN 0.460 nan 8.230 nan 0.000 0.441 565 H N 0.057 119.043 119.070 -0.141 0.000 2.439 565 H HA 0.356 4.912 4.556 0.000 0.000 0.239 565 H C 1.044 176.289 175.328 -0.139 0.000 1.432 565 H CA -0.168 55.816 56.048 -0.108 0.000 1.373 565 H CB 0.971 30.697 29.762 -0.061 0.000 1.463 565 H HN 0.067 nan 8.280 nan 0.000 0.530 566 A N 1.575 124.302 122.820 -0.155 0.000 2.148 566 A HA -0.196 4.124 4.320 0.001 0.000 0.222 566 A C 1.101 178.560 177.584 -0.208 0.000 1.161 566 A CA 1.283 53.184 52.037 -0.227 0.000 0.662 566 A CB -0.598 18.226 19.000 -0.293 0.000 0.799 566 A HN 0.342 nan 8.150 nan 0.000 0.466 567 F N -0.350 119.641 119.950 0.067 0.000 2.776 567 F HA 0.149 4.676 4.527 0.000 0.000 0.300 567 F C 1.405 177.194 175.800 -0.018 0.000 1.116 567 F CA 0.145 58.180 58.000 0.058 0.000 1.375 567 F CB -0.055 38.978 39.000 0.055 0.000 1.109 567 F HN 0.467 nan 8.300 nan 0.000 0.585 568 Q N 0.133 120.008 119.800 0.125 0.000 2.306 568 Q HA 0.741 5.082 4.340 0.001 0.000 0.269 568 Q C -0.316 175.710 176.000 0.043 0.000 1.053 568 Q CA -1.301 54.520 55.803 0.031 0.000 0.879 568 Q CB 1.684 30.417 28.738 -0.008 0.000 1.344 568 Q HN -0.002 nan 8.270 nan 0.000 0.464 569 A N 1.808 124.643 122.820 0.026 0.000 2.545 569 A HA 0.132 4.452 4.320 0.001 0.000 0.253 569 A C -0.728 176.891 177.584 0.058 0.000 1.074 569 A CA 0.151 52.221 52.037 0.054 0.000 0.760 569 A CB -0.873 18.152 19.000 0.041 0.000 1.005 569 A HN 0.757 nan 8.150 nan 0.000 0.506 570 N N 2.757 121.514 118.700 0.095 0.000 2.310 570 N HA 0.226 4.967 4.740 0.001 0.000 0.292 570 N C -0.765 174.886 175.510 0.235 0.000 1.049 570 N CA -0.807 52.311 53.050 0.113 0.000 0.849 570 N CB 1.519 40.008 38.487 0.004 0.000 1.532 570 N HN 0.742 nan 8.380 nan 0.000 0.479 571 N N 0.472 119.302 118.700 0.216 0.000 2.374 571 N HA 0.072 4.813 4.740 0.001 0.000 0.284 571 N C 0.219 175.884 175.510 0.258 0.000 1.280 571 N CA -0.132 53.037 53.050 0.198 0.000 0.963 571 N CB 0.782 39.347 38.487 0.129 0.000 1.141 571 N HN 0.520 nan 8.380 nan 0.000 0.565 572 Y N 1.718 121.981 120.300 -0.061 0.000 2.186 572 Y HA 0.191 4.742 4.550 0.001 0.000 0.286 572 Y C -0.998 174.728 175.900 -0.291 0.000 1.109 572 Y CA 0.817 58.628 58.100 -0.483 0.000 1.099 572 Y CB -1.440 36.700 38.460 -0.533 0.000 1.030 572 Y HN 0.329 nan 8.280 nan 0.000 0.495 573 P HA -0.173 nan 4.420 nan 0.000 0.216 573 P C 1.168 178.365 177.300 -0.172 0.000 1.150 573 P CA 2.376 65.151 63.100 -0.541 0.000 0.843 573 P CB -0.057 31.477 31.700 -0.276 0.000 0.787 574 H N -0.835 118.160 119.070 -0.125 0.000 2.388 574 H HA 0.029 4.585 4.556 0.001 0.000 0.304 574 H C 1.250 176.583 175.328 0.008 0.000 1.049 574 H CA 1.133 57.151 56.048 -0.049 0.000 1.371 574 H CB -0.515 29.230 29.762 -0.029 0.000 1.436 574 H HN -0.077 nan 8.280 nan 0.000 0.544 575 D N -0.122 120.308 120.400 0.050 0.000 2.392 575 D HA -0.059 4.582 4.640 0.001 0.000 0.228 575 D C -0.306 175.913 176.300 -0.136 0.000 1.003 575 D CA 0.421 54.369 54.000 -0.087 0.000 0.917 575 D CB -0.136 40.640 40.800 -0.040 0.000 0.890 575 D HN 0.163 nan 8.370 nan 0.000 0.532 576 F N 0.233 120.084 119.950 -0.165 0.000 2.432 576 F HA 0.347 4.874 4.527 0.000 0.000 0.329 576 F C 0.578 176.312 175.800 -0.111 0.000 1.076 576 F CA -1.249 56.670 58.000 -0.134 0.000 1.018 576 F CB 1.602 40.507 39.000 -0.158 0.000 1.201 576 F HN -0.325 nan 8.300 nan 0.000 0.489 577 V N -0.924 119.029 119.914 0.064 0.000 2.971 577 V HA 0.496 4.616 4.120 0.001 0.000 0.309 577 V C -1.006 175.121 176.094 0.055 0.000 1.130 577 V CA -1.114 61.203 62.300 0.027 0.000 0.964 577 V CB 1.600 33.399 31.823 -0.040 0.000 1.029 577 V HN 0.687 nan 8.190 nan 0.000 0.427 578 D N 2.248 122.679 120.400 0.051 0.000 2.443 578 D HA 0.150 4.790 4.640 0.001 0.000 0.239 578 D C 1.187 177.503 176.300 0.026 0.000 1.136 578 D CA 0.598 54.632 54.000 0.057 0.000 0.879 578 D CB 1.309 42.135 40.800 0.044 0.000 1.195 578 D HN 0.771 nan 8.370 nan 0.000 0.443 579 c N 1.762 120.379 118.600 0.028 0.000 2.396 579 c HA -0.207 4.364 4.570 0.001 0.000 0.279 579 c C 2.480 176.559 174.090 -0.019 0.000 1.229 579 c CA 1.375 57.701 56.329 -0.004 0.000 1.801 579 c CB -1.577 40.929 42.510 -0.007 0.000 2.050 579 c HN 0.791 nan 8.230 nan 0.000 0.491 580 S N 0.575 116.269 115.700 -0.009 0.000 2.641 580 S HA 0.128 4.598 4.470 0.001 0.000 0.239 580 S C 1.187 175.775 174.600 -0.020 0.000 0.972 580 S CA 0.932 59.124 58.200 -0.014 0.000 0.954 580 S CB -0.322 62.874 63.200 -0.006 0.000 0.767 580 S HN 0.702 nan 8.310 nan 0.000 0.539 581 A N 0.697 123.500 122.820 -0.027 0.000 2.430 581 A HA 0.638 4.958 4.320 0.001 0.000 0.243 581 A C 0.421 177.975 177.584 -0.050 0.000 1.254 581 A CA -0.493 51.523 52.037 -0.035 0.000 0.914 581 A CB -0.079 18.898 19.000 -0.038 0.000 0.998 581 A HN 0.724 nan 8.150 nan 0.000 0.515 582 I N -0.976 119.563 120.570 -0.051 0.000 2.647 582 I HA 0.443 4.614 4.170 0.001 0.000 0.295 582 I C -1.440 174.645 176.117 -0.053 0.000 1.078 582 I CA -0.865 60.398 61.300 -0.063 0.000 1.048 582 I CB 1.665 39.615 38.000 -0.084 0.000 1.239 582 I HN -0.046 nan 8.210 nan 0.000 0.421 583 D N 4.636 125.008 120.400 -0.047 0.000 2.461 583 D HA -0.033 4.607 4.640 0.001 0.000 0.231 583 D C 0.275 176.546 176.300 -0.049 0.000 1.208 583 D CA 0.673 54.651 54.000 -0.036 0.000 0.879 583 D CB 0.623 41.409 40.800 -0.024 0.000 1.220 583 D HN 0.475 nan 8.370 nan 0.000 0.480 584 K N 0.386 120.760 120.400 -0.044 0.000 2.440 584 K HA 0.238 4.559 4.320 0.001 0.000 0.207 584 K C -0.716 175.841 176.600 -0.072 0.000 1.112 584 K CA -0.452 55.799 56.287 -0.060 0.000 1.036 584 K CB 0.159 32.630 32.500 -0.049 0.000 0.935 584 K HN 0.351 nan 8.250 nan 0.000 0.564 585 L N 2.223 123.415 121.223 -0.053 0.000 3.000 585 L HA -0.155 4.185 4.340 0.001 0.000 0.682 585 L C -1.493 175.354 176.870 -0.038 0.000 1.047 585 L CA 0.451 55.256 54.840 -0.059 0.000 1.334 585 L CB -0.925 41.053 42.059 -0.136 0.000 1.859 585 L HN 0.331 nan 8.230 nan 0.000 0.890 586 D N 5.020 125.436 120.400 0.028 0.000 2.344 586 D HA 0.174 4.814 4.640 0.001 0.000 0.253 586 D C 1.140 177.522 176.300 0.137 0.000 1.255 586 D CA -0.100 53.935 54.000 0.059 0.000 0.894 586 D CB 0.514 41.359 40.800 0.076 0.000 1.067 586 D HN 0.686 nan 8.370 nan 0.000 0.492 587 L N 3.212 124.478 121.223 0.073 0.000 2.645 587 L HA -0.059 4.282 4.340 0.001 0.000 0.235 587 L C 2.270 179.328 176.870 0.313 0.000 1.150 587 L CA 0.008 54.938 54.840 0.150 0.000 0.911 587 L CB -0.396 41.609 42.059 -0.090 0.000 1.077 587 L HN 0.379 nan 8.230 nan 0.000 0.438 588 S N 0.717 116.545 115.700 0.212 0.000 2.353 588 S HA -0.113 4.357 4.470 0.001 0.000 0.222 588 S C -0.323 174.378 174.600 0.168 0.000 1.035 588 S CA 0.933 59.222 58.200 0.148 0.000 1.025 588 S CB -1.602 61.648 63.200 0.083 0.000 0.902 588 S HN 0.208 nan 8.310 nan 0.000 0.440 589 P HA -0.100 nan 4.420 nan 0.000 0.219 589 P C 0.951 178.214 177.300 -0.063 0.000 1.144 589 P CA 1.108 64.204 63.100 -0.007 0.000 0.806 589 P CB -0.297 31.321 31.700 -0.137 0.000 0.771 590 W N -0.308 121.020 121.300 0.047 0.000 2.825 590 W HA 0.187 4.847 4.660 0.001 0.000 0.243 590 W C 0.797 177.282 176.519 -0.057 0.000 1.293 590 W CA -0.001 57.385 57.345 0.067 0.000 1.403 590 W CB -0.427 29.093 29.460 0.100 0.000 1.134 590 W HN -0.105 nan 8.180 nan 0.000 0.666 591 A N 1.152 124.011 122.820 0.065 0.000 2.540 591 A HA 0.158 4.478 4.320 0.001 0.000 0.239 591 A C 0.255 177.793 177.584 -0.077 0.000 1.061 591 A CA 0.609 52.609 52.037 -0.060 0.000 0.758 591 A CB 0.302 19.288 19.000 -0.023 0.000 0.991 591 A HN -0.022 nan 8.150 nan 0.000 0.502 592 S N 2.046 117.662 115.700 -0.140 0.000 2.498 592 S HA 0.488 4.958 4.470 0.001 0.000 0.317 592 S C -0.178 174.425 174.600 0.005 0.000 1.090 592 S CA -0.822 57.366 58.200 -0.020 0.000 1.089 592 S CB 0.271 63.509 63.200 0.063 0.000 0.997 592 S HN 0.688 nan 8.310 nan 0.000 0.470 593 R N 3.531 124.032 120.500 0.001 0.000 2.297 593 R HA 0.346 4.686 4.340 0.001 0.000 0.308 593 R C 0.530 176.809 176.300 -0.035 0.000 1.029 593 R CA -0.878 55.207 56.100 -0.024 0.000 0.929 593 R CB 0.716 31.006 30.300 -0.017 0.000 1.046 593 R HN 0.579 nan 8.270 nan 0.000 0.461 594 E N 2.550 122.699 120.200 -0.085 0.000 1.984 594 E HA -0.128 4.222 4.350 0.001 0.000 0.203 594 E C 0.307 176.882 176.600 -0.042 0.000 0.998 594 E CA 1.234 57.579 56.400 -0.092 0.000 0.865 594 E CB -0.229 29.391 29.700 -0.133 0.000 0.806 594 E HN 0.581 nan 8.360 nan 0.000 0.504 595 N N 0.000 118.677 118.700 -0.038 0.000 1.763 595 N HA 0.000 4.740 4.740 0.001 0.000 0.220 595 N CA 0.000 53.037 53.050 -0.021 0.000 0.885 595 N CB 0.000 38.474 38.487 -0.021 0.000 1.341 595 N HN 0.000 nan 8.380 nan 0.000 0.667