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 2zox_1_A DATA FIRST_RESID 1 DATA SEQUENCE MAFPAGFGWA AATAAYQVEG GWDADGKGPC VWDTFTHQGG ERVFKNQTGD DATA SEQUENCE VACGSYTLWE EDLKCIKQLG LTHYRFSLSW SRLLPDGTTG FINQKGIDYY DATA SEQUENCE NKIIDDLLKN GVTPIVTLYH FDLPQTLEDQ GGWLSEAIIE SFDKYAQFCF DATA SEQUENCE STFGDRVKQW ITINQANVLS VMSYDLGMFP PGIPHFGTGG YQAAHNLIKA DATA SEQUENCE HARSWHSYDS LFRKKQKGMV SLSLFAVWLE PADPNSVSDQ EAAKRAITFH DATA SEQUENCE LDLFAKPIFI DGDYPEVVKS QIASMSQKQG YPSSRLPEFT EEEKKMIKGT DATA SEQUENCE ADFFAVQYYT TRLIKYQENK KGELGILQDA EIEFFPDPSW KNVDWIYVVP DATA SEQUENCE WGVCKLLKYI KDTYNNPVIY ITENGFPQSD PAPLDDTQRW EYFRQTFQEL DATA SEQUENCE FKAIQLDKVN LQVYCAWSLL DNFEWNQGYS SRFGLFHVDF EDPARPRVPY DATA SEQUENCE TSAKEYAKII RNNGLE 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.133 176.300 -0.278 0.000 1.140 1 M CA 0.000 54.742 55.300 -0.931 0.000 0.988 1 M CB 0.000 31.975 32.600 -1.042 0.000 1.302 2 A N 1.866 124.677 122.820 -0.014 0.000 2.276 2 A HA 0.820 5.140 4.320 0.001 0.000 0.300 2 A C -0.744 177.037 177.584 0.329 0.000 1.235 2 A CA -0.102 52.059 52.037 0.206 0.000 0.867 2 A CB 0.268 19.357 19.000 0.148 0.000 1.137 2 A HN 0.563 nan 8.150 nan 0.000 0.527 3 F N 2.430 122.474 119.950 0.156 0.000 2.378 3 F HA 0.417 4.944 4.527 0.001 0.000 0.319 3 F C -1.628 174.211 175.800 0.064 0.000 1.155 3 F CA -1.669 56.356 58.000 0.041 0.000 1.157 3 F CB 0.258 39.136 39.000 -0.204 0.000 1.252 3 F HN 0.375 nan 8.300 nan 0.000 0.550 4 P HA 0.095 nan 4.420 nan 0.000 0.265 4 P C -1.174 176.267 177.300 0.236 0.000 1.187 4 P CA -0.182 63.028 63.100 0.183 0.000 0.766 4 P CB 0.299 32.111 31.700 0.188 0.000 0.820 5 A N 2.889 125.812 122.820 0.172 0.000 2.524 5 A HA 0.441 4.761 4.320 0.001 0.000 0.250 5 A C 1.497 179.176 177.584 0.158 0.000 1.078 5 A CA 0.703 52.837 52.037 0.160 0.000 0.761 5 A CB -1.245 17.823 19.000 0.113 0.000 1.012 5 A HN 0.878 nan 8.150 nan 0.000 0.500 6 G N 1.315 110.216 108.800 0.168 0.000 2.175 6 G HA2 -0.223 3.737 3.960 0.001 0.000 0.244 6 G HA3 -0.223 3.737 3.960 0.001 0.000 0.244 6 G C 0.174 175.149 174.900 0.126 0.000 0.982 6 G CA 0.136 45.314 45.100 0.132 0.000 0.641 6 G HN 1.266 nan 8.290 nan 0.000 0.527 7 F N 2.213 122.170 119.950 0.011 0.000 2.629 7 F HA 0.427 4.954 4.527 0.001 0.000 0.377 7 F C 1.155 176.809 175.800 -0.244 0.000 1.101 7 F CA 0.964 58.879 58.000 -0.141 0.000 1.301 7 F CB 0.651 39.543 39.000 -0.180 0.000 1.062 7 F HN 0.274 nan 8.300 nan 0.000 0.583 8 G N 5.415 113.631 108.800 -0.973 0.000 2.320 8 G HA2 0.318 4.279 3.960 0.001 0.000 0.300 8 G HA3 0.318 4.279 3.960 0.001 0.000 0.300 8 G C -1.919 172.614 174.900 -0.612 0.000 1.126 8 G CA -0.529 44.207 45.100 -0.606 0.000 0.896 8 G HN 0.740 nan 8.290 nan 0.000 0.436 9 W N 1.974 123.318 121.300 0.073 0.000 2.411 9 W HA 0.625 5.285 4.660 0.000 0.000 0.317 9 W C 0.189 176.837 176.519 0.215 0.000 1.030 9 W CA -0.571 56.878 57.345 0.173 0.000 1.239 9 W CB 2.185 31.669 29.460 0.040 0.000 1.304 9 W HN 0.769 nan 8.180 nan 0.000 0.437 10 A N 2.006 125.143 122.820 0.529 0.000 2.485 10 A HA 1.029 5.349 4.320 0.001 0.000 0.292 10 A C -1.245 176.642 177.584 0.505 0.000 1.147 10 A CA -0.748 51.539 52.037 0.417 0.000 0.750 10 A CB 1.500 20.630 19.000 0.215 0.000 1.331 10 A HN 0.779 nan 8.150 nan 0.000 0.419 11 A N -0.887 122.204 122.820 0.452 0.000 2.566 11 A HA 0.935 5.255 4.320 0.001 0.000 0.292 11 A C -0.434 177.353 177.584 0.339 0.000 1.112 11 A CA -0.029 52.251 52.037 0.404 0.000 0.707 11 A CB 1.338 20.603 19.000 0.442 0.000 1.302 11 A HN 2.476 nan 8.150 nan 0.000 0.409 12 A N 0.147 123.097 122.820 0.216 0.000 2.401 12 A HA 0.963 5.283 4.320 0.001 0.000 0.310 12 A C -0.033 177.491 177.584 -0.099 0.000 1.075 12 A CA 0.105 52.212 52.037 0.118 0.000 0.746 12 A CB 1.323 20.543 19.000 0.367 0.000 1.277 12 A HN 2.086 nan 8.150 nan 0.000 0.425 13 T N -1.898 112.631 114.554 -0.042 0.000 2.838 13 T HA 0.892 5.242 4.350 0.001 0.000 0.292 13 T C -0.432 174.368 174.700 0.166 0.000 1.113 13 T CA -0.188 61.861 62.100 -0.084 0.000 1.008 13 T CB 1.646 70.587 68.868 0.121 0.000 1.259 13 T HN 2.133 nan 8.240 nan 0.000 0.520 14 A N -0.235 122.680 122.820 0.160 0.000 2.475 14 A HA 0.883 5.204 4.320 0.001 0.000 0.301 14 A C 1.216 178.861 177.584 0.101 0.000 1.059 14 A CA -0.409 51.615 52.037 -0.021 0.000 0.710 14 A CB 1.095 19.701 19.000 -0.655 0.000 1.288 14 A HN 1.541 nan 8.150 nan 0.000 0.408 15 A N 0.773 123.708 122.820 0.193 0.000 1.884 15 A HA -0.184 4.137 4.320 0.001 0.000 0.219 15 A C 1.848 179.587 177.584 0.257 0.000 1.197 15 A CA 2.446 54.672 52.037 0.315 0.000 0.637 15 A CB -1.104 18.144 19.000 0.412 0.000 0.827 15 A HN 1.477 nan 8.150 nan 0.000 0.450 16 Y N 0.517 120.914 120.300 0.163 0.000 2.373 16 Y HA -0.138 4.414 4.550 0.003 0.000 0.293 16 Y C 2.471 178.339 175.900 -0.054 0.000 1.129 16 Y CA 1.971 60.130 58.100 0.098 0.000 1.226 16 Y CB -0.182 38.380 38.460 0.170 0.000 1.000 16 Y HN 0.471 nan 8.280 nan 0.000 0.549 17 Q N -0.982 118.760 119.800 -0.097 0.000 2.230 17 Q HA -0.067 4.273 4.340 0.001 0.000 0.202 17 Q C 1.967 177.965 176.000 -0.003 0.000 0.963 17 Q CA 1.760 57.471 55.803 -0.154 0.000 0.866 17 Q CB 0.145 28.785 28.738 -0.163 0.000 0.931 17 Q HN 0.554 nan 8.270 nan 0.000 0.452 18 V N -4.345 115.601 119.914 0.054 0.000 3.473 18 V HA 0.131 4.251 4.120 0.001 0.000 0.253 18 V C 1.493 177.674 176.094 0.145 0.000 1.340 18 V CA 0.147 62.530 62.300 0.138 0.000 1.103 18 V CB 0.185 32.114 31.823 0.177 0.000 0.881 18 V HN 0.035 nan 8.190 nan 0.000 0.451 19 E N 1.628 121.902 120.200 0.123 0.000 2.072 19 E HA 0.287 4.638 4.350 0.001 0.000 0.190 19 E C 1.656 178.327 176.600 0.118 0.000 0.982 19 E CA 1.028 57.526 56.400 0.164 0.000 0.803 19 E CB -0.254 29.552 29.700 0.177 0.000 0.755 19 E HN 0.827 nan 8.360 nan 0.000 0.453 20 G N 0.173 108.996 108.800 0.038 0.000 2.564 20 G HA2 -0.351 3.609 3.960 0.001 0.000 0.273 20 G HA3 -0.351 3.609 3.960 0.001 0.000 0.273 20 G C 0.721 175.662 174.900 0.069 0.000 1.242 20 G CA 0.026 45.168 45.100 0.069 0.000 0.951 20 G HN 0.840 nan 8.290 nan 0.000 0.564 21 G N -0.414 108.444 108.800 0.096 0.000 2.422 21 G HA2 -0.203 3.757 3.960 0.001 0.000 0.301 21 G HA3 -0.203 3.757 3.960 0.001 0.000 0.301 21 G C 1.182 176.001 174.900 -0.134 0.000 0.981 21 G CA 1.404 46.474 45.100 -0.050 0.000 0.994 21 G HN 2.135 nan 8.290 nan 0.000 0.514 22 W N 0.746 122.016 121.300 -0.049 0.000 2.392 22 W HA -0.024 4.631 4.660 -0.008 0.000 0.279 22 W C 0.675 177.207 176.519 0.021 0.000 1.225 22 W CA 1.476 58.830 57.345 0.014 0.000 1.233 22 W CB -0.256 29.262 29.460 0.098 0.000 1.122 22 W HN 0.542 nan 8.180 nan 0.000 0.561 23 D N -0.143 119.665 120.400 -0.986 0.000 2.599 23 D HA 0.320 4.960 4.640 0.001 0.000 0.249 23 D C 0.242 176.244 176.300 -0.496 0.000 1.313 23 D CA -0.348 53.090 54.000 -0.937 0.000 0.815 23 D CB -0.521 39.332 40.800 -1.578 0.000 1.077 23 D HN 0.017 nan 8.370 nan 0.000 0.492 24 A N 0.590 123.193 122.820 -0.361 0.000 2.388 24 A HA 0.390 4.711 4.320 0.001 0.000 0.257 24 A C 0.493 178.000 177.584 -0.129 0.000 1.095 24 A CA -0.098 51.824 52.037 -0.191 0.000 0.791 24 A CB 0.120 19.059 19.000 -0.102 0.000 1.029 24 A HN 0.181 nan 8.150 nan 0.000 0.489 25 D N 0.710 121.099 120.400 -0.019 0.000 2.751 25 D HA -0.203 4.437 4.640 0.001 0.000 0.233 25 D C 1.033 177.362 176.300 0.048 0.000 1.149 25 D CA 2.375 56.406 54.000 0.052 0.000 0.682 25 D CB -1.404 39.485 40.800 0.148 0.000 1.068 25 D HN 1.903 nan 8.370 nan 0.000 0.429 26 G N 0.113 108.909 108.800 -0.006 0.000 2.159 26 G HA2 -0.388 3.572 3.960 0.001 0.000 0.256 26 G HA3 -0.388 3.572 3.960 0.001 0.000 0.256 26 G C 0.352 175.232 174.900 -0.034 0.000 0.977 26 G CA 0.707 45.807 45.100 0.000 0.000 0.652 26 G HN 0.650 nan 8.290 nan 0.000 0.531 27 K N 1.003 121.362 120.400 -0.068 0.000 2.451 27 K HA 0.445 4.765 4.320 0.001 0.000 0.280 27 K C 1.164 177.723 176.600 -0.069 0.000 1.020 27 K CA 0.289 56.546 56.287 -0.051 0.000 1.008 27 K CB 0.031 32.471 32.500 -0.100 0.000 0.917 27 K HN 0.383 nan 8.250 nan 0.000 0.478 28 G N 4.305 113.094 108.800 -0.019 0.000 2.539 28 G HA2 0.266 4.227 3.960 0.001 0.000 0.258 28 G HA3 0.266 4.227 3.960 0.001 0.000 0.258 28 G C -2.437 172.502 174.900 0.064 0.000 1.202 28 G CA -1.337 43.752 45.100 -0.020 0.000 0.851 28 G HN 0.577 nan 8.290 nan 0.000 0.556 29 P HA 0.220 nan 4.420 nan 0.000 0.275 29 P C 0.341 177.717 177.300 0.127 0.000 1.227 29 P CA -0.332 62.892 63.100 0.206 0.000 0.781 29 P CB 0.853 32.680 31.700 0.211 0.000 0.906 30 C N 1.268 120.670 119.300 0.171 0.000 2.423 30 C HA 0.479 4.939 4.460 0.001 0.000 0.378 30 C C 2.207 177.225 174.990 0.047 0.000 1.244 30 C CA -0.290 58.797 59.018 0.115 0.000 1.978 30 C CB 0.521 28.389 27.740 0.213 0.000 2.252 30 C HN 0.505 nan 8.230 nan 0.000 0.526 31 V N -2.264 117.646 119.914 -0.006 0.000 2.594 31 V HA -0.099 4.021 4.120 0.001 0.000 0.253 31 V C 1.792 177.729 176.094 -0.262 0.000 1.069 31 V CA 1.697 63.913 62.300 -0.140 0.000 1.082 31 V CB -1.279 30.422 31.823 -0.202 0.000 0.680 31 V HN 0.986 nan 8.190 nan 0.000 0.469 32 W N 0.775 121.902 121.300 -0.288 0.000 2.518 32 W HA 0.066 4.733 4.660 0.011 0.000 0.273 32 W C 2.300 178.595 176.519 -0.373 0.000 1.247 32 W CA 1.033 58.104 57.345 -0.457 0.000 1.288 32 W CB -0.216 28.570 29.460 -1.124 0.000 1.107 32 W HN 0.236 nan 8.180 nan 0.000 0.586 33 D N -0.380 119.956 120.400 -0.107 0.000 2.084 33 D HA -0.156 4.484 4.640 0.001 0.000 0.194 33 D C 1.964 177.924 176.300 -0.567 0.000 0.990 33 D CA 2.237 56.017 54.000 -0.367 0.000 0.826 33 D CB -0.891 39.872 40.800 -0.062 0.000 0.971 33 D HN 0.094 nan 8.370 nan 0.000 0.453 34 T N 0.876 115.311 114.554 -0.198 0.000 2.708 34 T HA -0.159 4.192 4.350 0.001 0.000 0.266 34 T C 1.788 176.450 174.700 -0.065 0.000 1.037 34 T CA 0.743 62.788 62.100 -0.091 0.000 1.146 34 T CB -0.584 68.268 68.868 -0.026 0.000 0.865 34 T HN 0.083 nan 8.240 nan 0.000 0.435 35 F N 2.519 122.328 119.950 -0.235 0.000 2.069 35 F HA -0.204 4.320 4.527 -0.006 0.000 0.298 35 F C 2.770 178.513 175.800 -0.095 0.000 1.113 35 F CA 1.993 59.859 58.000 -0.224 0.000 1.214 35 F CB -0.813 37.916 39.000 -0.452 0.000 0.978 35 F HN 0.249 nan 8.300 nan 0.000 0.474 36 T N -3.018 111.597 114.554 0.101 0.000 2.867 36 T HA -0.206 4.144 4.350 0.001 0.000 0.268 36 T C 1.701 176.438 174.700 0.062 0.000 1.057 36 T CA 1.846 64.014 62.100 0.114 0.000 1.136 36 T CB -1.171 67.834 68.868 0.227 0.000 0.874 36 T HN 0.574 nan 8.240 nan 0.000 0.466 37 H N 0.915 119.934 119.070 -0.084 0.000 2.524 37 H HA 0.117 4.669 4.556 -0.006 0.000 0.282 37 H C 2.329 177.595 175.328 -0.104 0.000 1.016 37 H CA 0.691 56.668 56.048 -0.117 0.000 1.270 37 H CB 0.073 29.739 29.762 -0.159 0.000 1.394 37 H HN 0.487 nan 8.280 nan 0.000 0.568 38 Q N 0.321 120.102 119.800 -0.031 0.000 2.432 38 Q HA 0.078 4.418 4.340 0.001 0.000 0.205 38 Q C 1.481 177.410 176.000 -0.119 0.000 0.945 38 Q CA 0.197 55.945 55.803 -0.093 0.000 0.924 38 Q CB 0.606 29.251 28.738 -0.156 0.000 1.016 38 Q HN 0.522 nan 8.270 nan 0.000 0.503 39 G N 0.840 109.570 108.800 -0.117 0.000 2.614 39 G HA2 -0.359 3.601 3.960 0.001 0.000 0.303 39 G HA3 -0.359 3.601 3.960 0.001 0.000 0.303 39 G C 0.676 175.496 174.900 -0.134 0.000 1.270 39 G CA 0.131 45.175 45.100 -0.094 0.000 0.988 39 G HN 0.896 nan 8.290 nan 0.000 0.551 40 G N -1.416 107.333 108.800 -0.085 0.000 2.147 40 G HA2 0.139 4.099 3.960 0.001 0.000 0.244 40 G HA3 0.139 4.099 3.960 0.001 0.000 0.244 40 G C 0.438 175.301 174.900 -0.061 0.000 1.005 40 G CA 1.285 46.337 45.100 -0.079 0.000 0.713 40 G HN 2.216 nan 8.290 nan 0.000 0.515 41 E N -2.376 117.799 120.200 -0.042 0.000 2.586 41 E HA -0.259 4.091 4.350 0.001 0.000 0.259 41 E C 1.516 178.131 176.600 0.025 0.000 1.107 41 E CA 1.463 57.860 56.400 -0.005 0.000 0.754 41 E CB -1.268 28.430 29.700 -0.002 0.000 1.335 41 E HN 0.817 nan 8.360 nan 0.000 0.411 42 R N -0.508 119.985 120.500 -0.011 0.000 2.193 42 R HA 0.103 4.443 4.340 0.001 0.000 0.213 42 R C 0.384 176.817 176.300 0.221 0.000 1.055 42 R CA 0.862 56.996 56.100 0.056 0.000 0.995 42 R CB 0.571 30.785 30.300 -0.142 0.000 0.893 42 R HN 0.004 nan 8.270 nan 0.000 0.459 43 V N 0.998 121.037 119.914 0.208 0.000 2.680 43 V HA 0.153 4.274 4.120 0.001 0.000 0.309 43 V C -0.353 175.886 176.094 0.243 0.000 1.052 43 V CA -1.249 61.235 62.300 0.306 0.000 0.908 43 V CB 1.680 33.757 31.823 0.423 0.000 1.001 43 V HN 0.025 nan 8.190 nan 0.000 0.431 44 F N 5.132 125.145 119.950 0.105 0.000 2.548 44 F HA -0.010 4.517 4.527 0.000 0.000 0.403 44 F C 1.377 177.238 175.800 0.102 0.000 1.004 44 F CA 0.369 58.417 58.000 0.081 0.000 1.177 44 F CB -0.233 38.796 39.000 0.047 0.000 0.974 44 F HN 0.741 nan 8.300 nan 0.000 0.541 45 K N 4.068 124.156 120.400 -0.520 0.000 2.948 45 K HA -0.394 3.926 4.320 0.001 0.000 0.253 45 K C 0.234 176.782 176.600 -0.086 0.000 0.970 45 K CA 1.187 57.243 56.287 -0.384 0.000 0.716 45 K CB -1.823 30.337 32.500 -0.567 0.000 1.249 45 K HN 0.978 nan 8.250 nan 0.000 0.483 46 N N 0.096 118.797 118.700 0.001 0.000 2.710 46 N HA -0.251 4.489 4.740 0.001 0.000 0.249 46 N C -0.422 175.175 175.510 0.145 0.000 1.059 46 N CA 0.991 54.081 53.050 0.068 0.000 0.720 46 N CB -0.494 38.005 38.487 0.020 0.000 0.983 46 N HN 0.497 nan 8.380 nan 0.000 0.544 47 Q N 0.109 120.052 119.800 0.238 0.000 2.443 47 Q HA 0.379 4.720 4.340 0.001 0.000 0.232 47 Q C 0.853 177.085 176.000 0.386 0.000 1.026 47 Q CA 0.466 56.477 55.803 0.348 0.000 0.924 47 Q CB 0.880 29.903 28.738 0.476 0.000 1.256 47 Q HN 0.403 nan 8.270 nan 0.000 0.519 48 T N -3.555 111.149 114.554 0.250 0.000 2.865 48 T HA 0.554 4.905 4.350 0.001 0.000 0.294 48 T C 0.388 174.826 174.700 -0.436 0.000 1.119 48 T CA -0.549 61.517 62.100 -0.057 0.000 1.007 48 T CB 1.520 70.406 68.868 0.029 0.000 1.225 48 T HN 0.592 nan 8.240 nan 0.000 0.515 49 G N -0.129 108.220 108.800 -0.751 0.000 3.448 49 G HA2 0.202 4.163 3.960 0.001 0.000 0.261 49 G HA3 0.202 4.163 3.960 0.001 0.000 0.261 49 G C 0.469 175.109 174.900 -0.433 0.000 1.173 49 G CA -0.243 44.301 45.100 -0.927 0.000 0.835 49 G HN 0.739 nan 8.290 nan 0.000 0.534 50 D N 0.366 120.660 120.400 -0.176 0.000 2.133 50 D HA -0.130 4.510 4.640 0.001 0.000 0.195 50 D C 2.372 178.770 176.300 0.164 0.000 0.997 50 D CA 1.154 55.167 54.000 0.022 0.000 0.840 50 D CB 0.265 41.071 40.800 0.010 0.000 0.947 50 D HN 0.298 nan 8.370 nan 0.000 0.452 51 V N -0.832 119.131 119.914 0.082 0.000 3.090 51 V HA 0.358 4.478 4.120 0.001 0.000 0.237 51 V C 1.357 177.504 176.094 0.088 0.000 1.209 51 V CA 0.597 62.960 62.300 0.104 0.000 1.209 51 V CB -0.126 31.759 31.823 0.103 0.000 0.971 51 V HN 0.320 nan 8.190 nan 0.000 0.477 52 A N 0.336 123.212 122.820 0.094 0.000 5.308 52 A HA -0.398 3.923 4.320 0.001 0.000 0.321 52 A C 1.568 179.332 177.584 0.300 0.000 1.849 52 A CA 2.091 54.249 52.037 0.202 0.000 0.713 52 A CB -2.061 16.992 19.000 0.088 0.000 1.360 52 A HN 0.608 nan 8.150 nan 0.000 0.384 53 C N 0.498 119.978 119.300 0.301 0.000 2.618 53 C HA 0.498 4.959 4.460 0.001 0.000 0.264 53 C C 2.061 177.133 174.990 0.136 0.000 1.334 53 C CA 0.579 59.743 59.018 0.244 0.000 1.731 53 C CB -0.938 26.930 27.740 0.215 0.000 1.852 53 C HN 2.622 nan 8.230 nan 0.000 0.566 54 G N 1.334 110.218 108.800 0.140 0.000 2.198 54 G HA2 -0.282 3.679 3.960 0.001 0.000 0.260 54 G HA3 -0.282 3.679 3.960 0.001 0.000 0.260 54 G C 0.837 175.820 174.900 0.139 0.000 1.025 54 G CA 0.701 45.875 45.100 0.122 0.000 0.769 54 G HN 0.504 nan 8.290 nan 0.000 0.507 55 S N -1.221 114.589 115.700 0.184 0.000 2.447 55 S HA -0.062 4.408 4.470 0.001 0.000 0.233 55 S C 1.745 176.544 174.600 0.333 0.000 1.006 55 S CA 1.301 59.655 58.200 0.257 0.000 0.957 55 S CB -0.202 63.184 63.200 0.309 0.000 0.773 55 S HN 0.694 nan 8.310 nan 0.000 0.507 56 Y N 2.582 122.904 120.300 0.037 0.000 2.293 56 Y HA -0.130 4.422 4.550 0.004 0.000 0.291 56 Y C 2.265 178.107 175.900 -0.095 0.000 1.137 56 Y CA 1.440 59.356 58.100 -0.306 0.000 1.202 56 Y CB -0.498 37.726 38.460 -0.392 0.000 0.990 56 Y HN 0.180 nan 8.280 nan 0.000 0.537 57 T N -0.269 114.269 114.554 -0.027 0.000 3.039 57 T HA 0.159 4.509 4.350 0.001 0.000 0.250 57 T C 1.015 175.725 174.700 0.016 0.000 1.052 57 T CA 0.681 62.746 62.100 -0.058 0.000 1.125 57 T CB 0.035 68.910 68.868 0.011 0.000 0.908 57 T HN 0.147 nan 8.240 nan 0.000 0.473 58 L N 1.226 122.493 121.223 0.074 0.000 3.154 58 L HA 0.332 4.673 4.340 0.001 0.000 0.266 58 L C 1.470 178.382 176.870 0.069 0.000 1.300 58 L CA -0.478 54.386 54.840 0.040 0.000 1.028 58 L CB -0.075 41.986 42.059 0.003 0.000 1.412 58 L HN 0.408 nan 8.230 nan 0.000 0.564 59 W N 1.643 122.945 121.300 0.002 0.000 2.305 59 W HA -0.278 4.382 4.660 0.001 0.000 0.308 59 W C 1.432 177.885 176.519 -0.110 0.000 1.226 59 W CA 1.925 59.246 57.345 -0.039 0.000 1.253 59 W CB 0.240 29.668 29.460 -0.054 0.000 1.146 59 W HN 0.344 nan 8.180 nan 0.000 0.507 60 E N 0.551 120.501 120.200 -0.417 0.000 2.130 60 E HA -0.243 4.107 4.350 0.001 0.000 0.196 60 E C 2.032 178.317 176.600 -0.525 0.000 0.998 60 E CA 2.024 58.099 56.400 -0.542 0.000 0.806 60 E CB -0.386 29.165 29.700 -0.248 0.000 0.738 60 E HN 0.261 nan 8.360 nan 0.000 0.459 61 E N 0.348 120.321 120.200 -0.377 0.000 2.072 61 E HA -0.138 4.212 4.350 0.001 0.000 0.190 61 E C 1.594 177.926 176.600 -0.448 0.000 0.982 61 E CA 0.942 57.142 56.400 -0.335 0.000 0.803 61 E CB -0.214 29.358 29.700 -0.215 0.000 0.755 61 E HN 0.320 nan 8.360 nan 0.000 0.453 62 D N 0.869 120.977 120.400 -0.486 0.000 2.117 62 D HA -0.144 4.496 4.640 0.001 0.000 0.197 62 D C 2.047 177.867 176.300 -0.801 0.000 0.987 62 D CA 0.474 54.144 54.000 -0.550 0.000 0.829 62 D CB -0.316 40.288 40.800 -0.326 0.000 0.961 62 D HN 0.070 nan 8.370 nan 0.000 0.460 63 L N 1.168 121.696 121.223 -1.158 0.000 2.017 63 L HA -0.170 4.170 4.340 0.001 0.000 0.208 63 L C 1.890 178.412 176.870 -0.581 0.000 1.073 63 L CA 1.820 56.049 54.840 -1.018 0.000 0.745 63 L CB -0.342 41.022 42.059 -1.157 0.000 0.894 63 L HN -0.140 nan 8.230 nan 0.000 0.432 64 K N -1.257 118.842 120.400 -0.503 0.000 2.044 64 K HA -0.226 4.094 4.320 0.001 0.000 0.210 64 K C 2.124 178.509 176.600 -0.359 0.000 1.049 64 K CA 1.981 58.056 56.287 -0.353 0.000 0.927 64 K CB -0.613 31.708 32.500 -0.298 0.000 0.713 64 K HN 0.472 nan 8.250 nan 0.000 0.443 65 C N 0.525 119.506 119.300 -0.531 0.000 2.429 65 C HA -0.082 4.379 4.460 0.001 0.000 0.277 65 C C 2.504 177.267 174.990 -0.379 0.000 1.262 65 C CA 0.417 58.982 59.018 -0.755 0.000 1.733 65 C CB -0.710 26.245 27.740 -1.308 0.000 2.010 65 C HN 0.410 nan 8.230 nan 0.000 0.483 66 I N 0.753 121.099 120.570 -0.373 0.000 2.179 66 I HA -0.225 3.945 4.170 0.001 0.000 0.242 66 I C 2.521 178.559 176.117 -0.132 0.000 1.088 66 I CA 1.620 62.781 61.300 -0.231 0.000 1.357 66 I CB -0.368 37.420 38.000 -0.353 0.000 1.051 66 I HN 0.342 nan 8.210 nan 0.000 0.409 67 K N 0.317 120.615 120.400 -0.171 0.000 2.057 67 K HA -0.210 4.110 4.320 0.001 0.000 0.207 67 K C 2.177 178.732 176.600 -0.075 0.000 1.049 67 K CA 1.386 57.604 56.287 -0.116 0.000 0.931 67 K CB -0.155 32.262 32.500 -0.139 0.000 0.714 67 K HN 0.341 nan 8.250 nan 0.000 0.440 68 Q N 0.482 120.246 119.800 -0.060 0.000 2.124 68 Q HA -0.116 4.224 4.340 0.001 0.000 0.202 68 Q C 2.064 178.076 176.000 0.020 0.000 0.977 68 Q CA 1.165 56.968 55.803 -0.000 0.000 0.850 68 Q CB -0.074 28.707 28.738 0.073 0.000 0.901 68 Q HN 0.302 nan 8.270 nan 0.000 0.429 69 L N -0.942 120.317 121.223 0.059 0.000 2.141 69 L HA -0.034 4.306 4.340 0.001 0.000 0.209 69 L C 1.358 178.182 176.870 -0.078 0.000 1.094 69 L CA 0.768 55.622 54.840 0.023 0.000 0.763 69 L CB -0.463 41.673 42.059 0.129 0.000 0.908 69 L HN 0.505 nan 8.230 nan 0.000 0.437 70 G N 0.545 109.313 108.800 -0.053 0.000 2.160 70 G HA2 -0.272 3.688 3.960 0.001 0.000 0.244 70 G HA3 -0.272 3.688 3.960 0.001 0.000 0.244 70 G C 0.244 175.127 174.900 -0.030 0.000 1.022 70 G CA -0.246 44.818 45.100 -0.060 0.000 0.741 70 G HN 0.215 nan 8.290 nan 0.000 0.508 71 L N 0.430 121.661 121.223 0.013 0.000 2.559 71 L HA 0.134 4.475 4.340 0.001 0.000 0.282 71 L C 2.245 179.170 176.870 0.091 0.000 1.232 71 L CA 0.969 55.870 54.840 0.100 0.000 0.885 71 L CB 0.317 42.480 42.059 0.173 0.000 1.131 71 L HN 0.497 nan 8.230 nan 0.000 0.498 72 T N -1.773 112.869 114.554 0.146 0.000 3.035 72 T HA 0.035 4.386 4.350 0.001 0.000 0.259 72 T C 0.468 175.063 174.700 -0.175 0.000 1.078 72 T CA 0.382 62.499 62.100 0.029 0.000 1.132 72 T CB -0.015 68.922 68.868 0.115 0.000 0.900 72 T HN 0.623 nan 8.240 nan 0.000 0.480 73 H N -0.673 118.456 119.070 0.098 0.000 2.895 73 H HA 0.625 5.182 4.556 0.000 0.000 0.373 73 H C -1.992 173.485 175.328 0.247 0.000 1.174 73 H CA -1.039 55.072 56.048 0.105 0.000 1.144 73 H CB 1.510 31.264 29.762 -0.013 0.000 1.793 73 H HN 0.208 nan 8.280 nan 0.000 0.551 74 Y N 1.577 122.018 120.300 0.234 0.000 2.373 74 Y HA 0.418 4.968 4.550 0.001 0.000 0.336 74 Y C -1.128 174.946 175.900 0.291 0.000 0.979 74 Y CA -1.063 57.196 58.100 0.264 0.000 1.080 74 Y CB 1.232 39.857 38.460 0.275 0.000 1.190 74 Y HN 0.500 nan 8.280 nan 0.000 0.446 75 R N 7.470 127.846 120.500 -0.208 0.000 2.229 75 R HA 0.424 4.764 4.340 0.001 0.000 0.328 75 R C -1.777 174.266 176.300 -0.429 0.000 1.009 75 R CA -0.218 55.742 56.100 -0.233 0.000 0.864 75 R CB -0.094 30.195 30.300 -0.019 0.000 1.085 75 R HN 0.726 nan 8.270 nan 0.000 0.453 76 F N 0.104 119.807 119.950 -0.412 0.000 2.692 76 F HA 0.646 5.173 4.527 -0.000 0.000 0.320 76 F C -0.776 174.980 175.800 -0.072 0.000 1.123 76 F CA -1.094 56.748 58.000 -0.263 0.000 0.961 76 F CB 1.263 40.117 39.000 -0.244 0.000 1.383 76 F HN 0.388 nan 8.300 nan 0.000 0.483 77 S N 1.082 116.854 115.700 0.119 0.000 2.607 77 S HA 0.791 5.261 4.470 0.001 0.000 0.303 77 S C -1.170 173.494 174.600 0.107 0.000 1.086 77 S CA -0.864 57.366 58.200 0.051 0.000 0.995 77 S CB 1.579 64.872 63.200 0.154 0.000 1.084 77 S HN 0.811 nan 8.310 nan 0.000 0.507 78 L N 2.316 123.514 121.223 -0.042 0.000 2.312 78 L HA 0.494 4.835 4.340 0.001 0.000 0.281 78 L C 0.601 177.600 176.870 0.214 0.000 1.070 78 L CA -0.625 54.068 54.840 -0.246 0.000 0.805 78 L CB 1.623 43.513 42.059 -0.282 0.000 1.174 78 L HN 0.835 nan 8.230 nan 0.000 0.434 79 S N 2.485 118.401 115.700 0.360 0.000 2.405 79 S HA 0.016 4.486 4.470 0.001 0.000 0.291 79 S C 0.765 175.685 174.600 0.533 0.000 1.137 79 S CA -0.547 57.956 58.200 0.505 0.000 1.061 79 S CB 0.197 63.708 63.200 0.518 0.000 1.001 79 S HN 0.685 nan 8.310 nan 0.000 0.507 80 W N 4.935 126.383 121.300 0.247 0.000 2.318 80 W HA -0.182 4.486 4.660 0.013 0.000 0.313 80 W C 2.323 178.839 176.519 -0.005 0.000 1.221 80 W CA 2.094 59.376 57.345 -0.105 0.000 1.266 80 W CB -1.256 27.956 29.460 -0.412 0.000 1.150 80 W HN 0.866 nan 8.180 nan 0.000 0.496 81 S N -0.100 115.780 115.700 0.300 0.000 2.423 81 S HA -0.162 4.308 4.470 0.001 0.000 0.231 81 S C 2.047 176.770 174.600 0.205 0.000 1.014 81 S CA 1.168 59.464 58.200 0.160 0.000 0.965 81 S CB -0.527 62.740 63.200 0.112 0.000 0.785 81 S HN 0.396 nan 8.310 nan 0.000 0.495 82 R N 0.677 121.349 120.500 0.287 0.000 2.073 82 R HA 0.161 4.502 4.340 0.001 0.000 0.229 82 R C 2.186 178.696 176.300 0.350 0.000 1.120 82 R CA 1.184 57.445 56.100 0.268 0.000 0.967 82 R CB -0.307 30.171 30.300 0.297 0.000 0.862 82 R HN 0.452 nan 8.270 nan 0.000 0.436 83 L N 0.205 121.708 121.223 0.466 0.000 2.095 83 L HA 0.026 4.366 4.340 0.001 0.000 0.204 83 L C 0.551 177.616 176.870 0.326 0.000 1.080 83 L CA 0.759 55.906 54.840 0.511 0.000 0.759 83 L CB 0.162 42.658 42.059 0.728 0.000 0.914 83 L HN 0.120 nan 8.230 nan 0.000 0.439 84 L N -0.347 121.047 121.223 0.285 0.000 2.433 84 L HA 0.263 4.603 4.340 0.001 0.000 0.256 84 L C -1.878 175.075 176.870 0.138 0.000 1.063 84 L CA -1.438 53.512 54.840 0.184 0.000 0.922 84 L CB 1.209 43.360 42.059 0.153 0.000 1.238 84 L HN -0.200 nan 8.230 nan 0.000 0.466 85 P HA -0.215 nan 4.420 nan 0.000 0.217 85 P C 0.785 178.042 177.300 -0.072 0.000 1.148 85 P CA 1.398 64.491 63.100 -0.013 0.000 0.834 85 P CB 0.152 31.770 31.700 -0.138 0.000 0.783 86 D N -2.884 117.476 120.400 -0.066 0.000 2.349 86 D HA 0.135 4.776 4.640 0.001 0.000 0.214 86 D C 1.393 177.620 176.300 -0.121 0.000 1.063 86 D CA 0.446 54.391 54.000 -0.092 0.000 0.847 86 D CB -0.580 40.175 40.800 -0.074 0.000 0.933 86 D HN 0.224 nan 8.370 nan 0.000 0.513 87 G N -0.114 108.617 108.800 -0.115 0.000 2.213 87 G HA2 -0.232 3.728 3.960 0.001 0.000 0.236 87 G HA3 -0.232 3.728 3.960 0.001 0.000 0.236 87 G C 0.451 175.461 174.900 0.184 0.000 0.991 87 G CA 0.480 45.486 45.100 -0.157 0.000 0.629 87 G HN 0.892 nan 8.290 nan 0.000 0.517 88 T N -2.318 112.292 114.554 0.093 0.000 2.930 88 T HA 0.613 4.963 4.350 0.001 0.000 0.290 88 T C 1.250 175.972 174.700 0.036 0.000 1.052 88 T CA 0.883 63.035 62.100 0.086 0.000 1.017 88 T CB 1.630 70.530 68.868 0.053 0.000 1.137 88 T HN 0.939 nan 8.240 nan 0.000 0.511 89 T N -1.657 112.890 114.554 -0.011 0.000 3.215 89 T HA 0.205 4.556 4.350 0.001 0.000 0.254 89 T C 2.101 176.799 174.700 -0.003 0.000 1.149 89 T CA 0.435 62.487 62.100 -0.079 0.000 1.042 89 T CB -0.832 67.978 68.868 -0.097 0.000 0.966 89 T HN 0.867 nan 8.240 nan 0.000 0.534 90 G N 0.749 109.577 108.800 0.046 0.000 2.450 90 G HA2 0.002 3.963 3.960 0.001 0.000 0.220 90 G HA3 0.002 3.963 3.960 0.001 0.000 0.220 90 G C 0.112 175.091 174.900 0.130 0.000 1.130 90 G CA 0.139 45.285 45.100 0.076 0.000 0.760 90 G HN 0.632 nan 8.290 nan 0.000 0.557 91 F N 0.236 120.173 119.950 -0.022 0.000 2.617 91 F HA 0.603 5.135 4.527 0.007 0.000 0.325 91 F C -1.047 174.741 175.800 -0.021 0.000 1.179 91 F CA -1.270 56.725 58.000 -0.009 0.000 0.965 91 F CB 1.447 40.447 39.000 -0.000 0.000 1.232 91 F HN -0.195 nan 8.300 nan 0.000 0.461 92 I N 5.045 125.542 120.570 -0.122 0.000 2.354 92 I HA 0.236 4.406 4.170 0.001 0.000 0.292 92 I C -0.497 175.632 176.117 0.021 0.000 0.989 92 I CA -0.830 60.463 61.300 -0.012 0.000 1.188 92 I CB 1.481 39.470 38.000 -0.018 0.000 1.342 92 I HN 0.504 nan 8.210 nan 0.000 0.457 93 N N 5.112 123.953 118.700 0.235 0.000 2.439 93 N HA 0.021 4.761 4.740 0.001 0.000 0.243 93 N C 0.686 176.341 175.510 0.242 0.000 1.088 93 N CA 0.046 53.258 53.050 0.270 0.000 0.940 93 N CB 0.967 39.654 38.487 0.332 0.000 1.180 93 N HN 0.472 nan 8.380 nan 0.000 0.505 94 Q N 3.658 123.554 119.800 0.160 0.000 2.170 94 Q HA -0.092 4.249 4.340 0.001 0.000 0.203 94 Q C 0.974 177.091 176.000 0.195 0.000 0.976 94 Q CA 1.819 57.720 55.803 0.164 0.000 0.858 94 Q CB 0.140 28.934 28.738 0.093 0.000 0.907 94 Q HN 0.598 nan 8.270 nan 0.000 0.433 95 K N -1.090 119.424 120.400 0.192 0.000 2.097 95 K HA -0.070 4.250 4.320 0.001 0.000 0.206 95 K C 1.977 178.746 176.600 0.281 0.000 1.049 95 K CA 1.116 57.528 56.287 0.208 0.000 0.933 95 K CB -0.480 32.138 32.500 0.196 0.000 0.717 95 K HN 0.382 nan 8.250 nan 0.000 0.442 96 G N 1.518 110.507 108.800 0.314 0.000 2.421 96 G HA2 -0.237 3.724 3.960 0.001 0.000 0.216 96 G HA3 -0.237 3.724 3.960 0.001 0.000 0.216 96 G C 1.513 176.710 174.900 0.494 0.000 1.171 96 G CA 0.770 46.106 45.100 0.393 0.000 0.775 96 G HN 0.138 nan 8.290 nan 0.000 0.543 97 I N 1.008 121.876 120.570 0.497 0.000 2.179 97 I HA -0.149 4.021 4.170 0.001 0.000 0.242 97 I C 2.295 178.659 176.117 0.411 0.000 1.088 97 I CA 1.283 62.908 61.300 0.542 0.000 1.357 97 I CB -0.243 37.966 38.000 0.348 0.000 1.051 97 I HN 0.062 nan 8.210 nan 0.000 0.409 98 D N 0.071 120.632 120.400 0.269 0.000 2.144 98 D HA -0.238 4.402 4.640 0.001 0.000 0.199 98 D C 1.892 178.263 176.300 0.119 0.000 0.984 98 D CA 1.330 55.434 54.000 0.173 0.000 0.834 98 D CB -0.441 40.437 40.800 0.131 0.000 0.955 98 D HN 0.416 nan 8.370 nan 0.000 0.465 99 Y N 0.309 120.593 120.300 -0.026 0.000 2.097 99 Y HA -0.351 4.200 4.550 0.002 0.000 0.282 99 Y C 2.090 177.798 175.900 -0.319 0.000 1.152 99 Y CA 1.664 59.629 58.100 -0.226 0.000 1.136 99 Y CB -0.355 37.948 38.460 -0.263 0.000 0.975 99 Y HN -0.065 nan 8.280 nan 0.000 0.498 100 Y N 0.337 120.581 120.300 -0.093 0.000 2.293 100 Y HA -0.190 4.360 4.550 -0.001 0.000 0.291 100 Y C 2.377 178.135 175.900 -0.236 0.000 1.137 100 Y CA 1.244 59.154 58.100 -0.316 0.000 1.202 100 Y CB -0.851 37.458 38.460 -0.252 0.000 0.990 100 Y HN 0.227 nan 8.280 nan 0.000 0.537 101 N N 0.445 119.251 118.700 0.176 0.000 2.120 101 N HA -0.169 4.571 4.740 0.001 0.000 0.188 101 N C 1.895 177.383 175.510 -0.037 0.000 1.024 101 N CA 1.291 54.435 53.050 0.156 0.000 0.852 101 N CB -0.250 38.364 38.487 0.212 0.000 1.003 101 N HN 0.214 nan 8.380 nan 0.000 0.424 102 K N 1.459 121.770 120.400 -0.148 0.000 2.026 102 K HA 0.027 4.347 4.320 0.001 0.000 0.208 102 K C 1.963 178.333 176.600 -0.383 0.000 1.048 102 K CA 0.928 57.095 56.287 -0.200 0.000 0.929 102 K CB -0.523 31.863 32.500 -0.190 0.000 0.713 102 K HN 0.137 nan 8.250 nan 0.000 0.439 103 I N 0.354 120.399 120.570 -0.875 0.000 2.118 103 I HA -0.323 3.847 4.170 0.001 0.000 0.241 103 I C 2.264 178.081 176.117 -0.499 0.000 1.070 103 I CA 1.631 62.147 61.300 -1.306 0.000 1.327 103 I CB -0.303 36.638 38.000 -1.765 0.000 1.034 103 I HN 0.161 nan 8.210 nan 0.000 0.405 104 I N 0.564 120.974 120.570 -0.268 0.000 2.127 104 I HA -0.333 3.837 4.170 0.001 0.000 0.241 104 I C 2.169 178.292 176.117 0.010 0.000 1.075 104 I CA 1.545 62.828 61.300 -0.029 0.000 1.334 104 I CB -0.527 37.506 38.000 0.054 0.000 1.040 104 I HN 0.257 nan 8.210 nan 0.000 0.405 105 D N 0.732 121.134 120.400 0.004 0.000 2.097 105 D HA -0.182 4.459 4.640 0.001 0.000 0.195 105 D C 1.815 178.147 176.300 0.053 0.000 0.989 105 D CA 1.313 55.333 54.000 0.032 0.000 0.827 105 D CB -0.499 40.320 40.800 0.031 0.000 0.966 105 D HN 0.275 nan 8.370 nan 0.000 0.456 106 D N 0.310 120.761 120.400 0.085 0.000 2.123 106 D HA -0.102 4.539 4.640 0.001 0.000 0.196 106 D C 2.365 178.753 176.300 0.147 0.000 0.992 106 D CA 0.404 54.503 54.000 0.164 0.000 0.833 106 D CB -0.327 40.714 40.800 0.401 0.000 0.954 106 D HN 0.208 nan 8.370 nan 0.000 0.455 107 L N 0.068 121.390 121.223 0.164 0.000 1.994 107 L HA -0.157 4.183 4.340 0.001 0.000 0.208 107 L C 2.595 179.507 176.870 0.069 0.000 1.071 107 L CA 0.818 55.741 54.840 0.138 0.000 0.745 107 L CB -0.428 41.736 42.059 0.175 0.000 0.892 107 L HN 0.068 nan 8.230 nan 0.000 0.431 108 L N 0.195 121.451 121.223 0.054 0.000 2.083 108 L HA -0.220 4.121 4.340 0.001 0.000 0.209 108 L C 2.660 179.541 176.870 0.019 0.000 1.083 108 L CA 1.548 56.405 54.840 0.028 0.000 0.752 108 L CB -0.588 41.487 42.059 0.027 0.000 0.899 108 L HN 0.390 nan 8.230 nan 0.000 0.433 109 K N -0.713 119.703 120.400 0.026 0.000 2.362 109 K HA -0.106 4.215 4.320 0.001 0.000 0.200 109 K C 1.087 177.690 176.600 0.005 0.000 1.046 109 K CA 1.215 57.512 56.287 0.015 0.000 0.952 109 K CB -0.147 32.364 32.500 0.019 0.000 0.753 109 K HN 0.314 nan 8.250 nan 0.000 0.466 110 N N 0.549 119.253 118.700 0.006 0.000 2.214 110 N HA 0.058 4.798 4.740 0.001 0.000 0.214 110 N C 0.253 175.755 175.510 -0.014 0.000 1.132 110 N CA 0.691 53.735 53.050 -0.010 0.000 0.856 110 N CB 1.237 39.712 38.487 -0.020 0.000 1.020 110 N HN 0.526 nan 8.380 nan 0.000 0.509 111 G N 0.708 109.501 108.800 -0.012 0.000 2.155 111 G HA2 -0.273 3.688 3.960 0.001 0.000 0.257 111 G HA3 -0.273 3.688 3.960 0.001 0.000 0.257 111 G C 0.093 174.966 174.900 -0.045 0.000 0.983 111 G CA 0.285 45.370 45.100 -0.025 0.000 0.676 111 G HN 0.191 nan 8.290 nan 0.000 0.528 112 V N 1.080 120.979 119.914 -0.024 0.000 2.465 112 V HA 0.538 4.659 4.120 0.001 0.000 0.279 112 V C 0.814 176.884 176.094 -0.041 0.000 1.045 112 V CA -0.010 62.273 62.300 -0.028 0.000 0.938 112 V CB 1.624 33.475 31.823 0.047 0.000 0.986 112 V HN 0.261 nan 8.190 nan 0.000 0.467 113 T N 7.962 122.418 114.554 -0.164 0.000 2.743 113 T HA 0.312 4.662 4.350 0.001 0.000 0.293 113 T C -2.411 172.309 174.700 0.032 0.000 0.945 113 T CA -0.892 61.128 62.100 -0.134 0.000 1.030 113 T CB 1.176 69.845 68.868 -0.332 0.000 0.912 113 T HN 0.522 nan 8.240 nan 0.000 0.483 114 P HA 0.326 nan 4.420 nan 0.000 0.276 114 P C -0.745 176.516 177.300 -0.065 0.000 1.230 114 P CA -0.302 62.854 63.100 0.094 0.000 0.776 114 P CB 0.669 32.425 31.700 0.095 0.000 0.888 115 I N 3.487 124.002 120.570 -0.093 0.000 2.390 115 I HA 0.242 4.413 4.170 0.001 0.000 0.283 115 I C -0.192 175.692 176.117 -0.387 0.000 1.016 115 I CA -0.931 60.275 61.300 -0.158 0.000 1.151 115 I CB 1.711 39.713 38.000 0.002 0.000 1.293 115 I HN -0.017 nan 8.210 nan 0.000 0.458 116 V N 5.054 124.666 119.914 -0.504 0.000 2.417 116 V HA 0.383 4.504 4.120 0.001 0.000 0.291 116 V C 0.213 176.179 176.094 -0.212 0.000 1.024 116 V CA -0.426 61.465 62.300 -0.682 0.000 0.861 116 V CB 1.795 33.074 31.823 -0.905 0.000 0.985 116 V HN 0.654 nan 8.190 nan 0.000 0.436 117 T N 5.952 120.399 114.554 -0.178 0.000 2.795 117 T HA 0.456 4.807 4.350 0.001 0.000 0.282 117 T C 1.232 176.004 174.700 0.120 0.000 0.980 117 T CA -0.410 61.728 62.100 0.063 0.000 1.012 117 T CB 1.421 70.351 68.868 0.104 0.000 0.936 117 T HN 0.425 nan 8.240 nan 0.000 0.457 118 L N 1.942 123.292 121.223 0.212 0.000 2.109 118 L HA 0.162 4.502 4.340 0.001 0.000 0.207 118 L C 0.405 177.597 176.870 0.536 0.000 1.086 118 L CA 0.989 55.945 54.840 0.194 0.000 0.760 118 L CB -0.059 41.976 42.059 -0.040 0.000 0.910 118 L HN 0.644 nan 8.230 nan 0.000 0.437 119 Y N -0.682 119.872 120.300 0.424 0.000 2.362 119 Y HA 0.359 4.908 4.550 -0.001 0.000 0.326 119 Y C -0.988 175.145 175.900 0.388 0.000 1.083 119 Y CA -1.016 57.412 58.100 0.546 0.000 1.073 119 Y CB 1.110 40.057 38.460 0.811 0.000 1.211 119 Y HN -0.005 nan 8.280 nan 0.000 0.433 120 H N 7.857 126.784 119.070 -0.238 0.000 2.607 120 H HA 0.292 4.847 4.556 -0.001 0.000 0.248 120 H C -0.750 174.366 175.328 -0.352 0.000 1.355 120 H CA -0.699 55.088 56.048 -0.435 0.000 1.524 120 H CB -0.089 29.581 29.762 -0.153 0.000 1.563 120 H HN 0.732 nan 8.280 nan 0.000 0.509 121 F N 1.089 120.742 119.950 -0.495 0.000 2.973 121 F HA -0.288 4.239 4.527 -0.000 0.000 0.299 121 F C 0.072 175.978 175.800 0.176 0.000 0.737 121 F CA 1.300 59.178 58.000 -0.203 0.000 1.151 121 F CB -2.005 36.757 39.000 -0.398 0.000 1.440 121 F HN 0.643 nan 8.300 nan 0.000 0.367 122 D N -0.306 120.395 120.400 0.500 0.000 2.886 122 D HA 0.422 5.062 4.640 0.001 0.000 0.355 122 D C 0.023 176.678 176.300 0.591 0.000 1.274 122 D CA -0.487 53.860 54.000 0.578 0.000 0.836 122 D CB -0.012 41.107 40.800 0.532 0.000 1.109 122 D HN 0.065 nan 8.370 nan 0.000 0.488 123 L N 1.276 122.837 121.223 0.564 0.000 2.485 123 L HA 0.238 4.579 4.340 0.001 0.000 0.275 123 L C -2.121 174.707 176.870 -0.070 0.000 1.207 123 L CA -1.294 53.651 54.840 0.174 0.000 0.855 123 L CB 0.102 42.217 42.059 0.092 0.000 1.114 123 L HN 0.042 nan 8.230 nan 0.000 0.485 124 P HA -0.036 nan 4.420 nan 0.000 0.264 124 P C -0.014 177.153 177.300 -0.221 0.000 1.183 124 P CA 0.046 62.962 63.100 -0.307 0.000 0.763 124 P CB 0.487 31.854 31.700 -0.555 0.000 0.807 125 Q N 3.302 123.034 119.800 -0.114 0.000 2.135 125 Q HA -0.202 4.138 4.340 0.001 0.000 0.204 125 Q C 1.756 177.689 176.000 -0.112 0.000 0.981 125 Q CA 2.782 58.533 55.803 -0.086 0.000 0.856 125 Q CB -1.299 27.420 28.738 -0.033 0.000 0.902 125 Q HN 0.619 nan 8.270 nan 0.000 0.425 126 T N -1.500 112.974 114.554 -0.133 0.000 2.699 126 T HA -0.193 4.157 4.350 0.001 0.000 0.268 126 T C 1.785 176.387 174.700 -0.165 0.000 1.036 126 T CA 1.671 63.692 62.100 -0.132 0.000 1.147 126 T CB -0.554 68.231 68.868 -0.137 0.000 0.862 126 T HN 0.335 nan 8.240 nan 0.000 0.446 127 L N 0.431 121.502 121.223 -0.253 0.000 2.156 127 L HA 0.083 4.424 4.340 0.001 0.000 0.208 127 L C 3.008 179.741 176.870 -0.230 0.000 1.095 127 L CA 1.396 56.059 54.840 -0.295 0.000 0.770 127 L CB -0.564 41.194 42.059 -0.502 0.000 0.914 127 L HN 0.290 nan 8.230 nan 0.000 0.439 128 E N 0.661 120.755 120.200 -0.176 0.000 2.106 128 E HA -0.211 4.140 4.350 0.001 0.000 0.192 128 E C 1.671 178.238 176.600 -0.054 0.000 0.984 128 E CA 1.216 57.566 56.400 -0.084 0.000 0.806 128 E CB 0.007 29.674 29.700 -0.056 0.000 0.750 128 E HN 0.294 nan 8.360 nan 0.000 0.458 129 D N 0.272 120.631 120.400 -0.067 0.000 2.218 129 D HA -0.143 4.497 4.640 0.001 0.000 0.204 129 D C 1.052 177.324 176.300 -0.046 0.000 0.976 129 D CA 0.865 54.838 54.000 -0.045 0.000 0.853 129 D CB -0.106 40.666 40.800 -0.047 0.000 0.939 129 D HN 0.396 nan 8.370 nan 0.000 0.481 130 Q N -0.823 118.934 119.800 -0.071 0.000 2.322 130 Q HA 0.300 4.640 4.340 0.001 0.000 0.203 130 Q C 0.986 176.946 176.000 -0.066 0.000 0.923 130 Q CA 0.356 56.118 55.803 -0.069 0.000 0.949 130 Q CB 0.755 29.439 28.738 -0.089 0.000 1.039 130 Q HN 0.290 nan 8.270 nan 0.000 0.496 131 G N -0.775 107.997 108.800 -0.047 0.000 2.201 131 G HA2 -0.199 3.761 3.960 0.001 0.000 0.212 131 G HA3 -0.199 3.761 3.960 0.001 0.000 0.212 131 G C 0.638 175.522 174.900 -0.027 0.000 0.994 131 G CA -0.372 44.713 45.100 -0.026 0.000 0.644 131 G HN 0.707 nan 8.290 nan 0.000 0.508 132 G N -0.321 108.427 108.800 -0.087 0.000 2.596 132 G HA2 -0.315 3.646 3.960 0.001 0.000 0.295 132 G HA3 -0.315 3.646 3.960 0.001 0.000 0.295 132 G C 0.773 175.495 174.900 -0.297 0.000 1.240 132 G CA 1.047 46.067 45.100 -0.133 0.000 0.985 132 G HN 1.076 nan 8.290 nan 0.000 0.555 133 W N 0.806 122.031 121.300 -0.126 0.000 3.077 133 W HA 0.447 5.109 4.660 0.003 0.000 0.245 133 W C 2.355 178.655 176.519 -0.365 0.000 1.316 133 W CA 0.100 57.287 57.345 -0.264 0.000 1.537 133 W CB -0.137 29.169 29.460 -0.257 0.000 1.131 133 W HN 0.290 nan 8.180 nan 0.000 0.695 134 L N -0.302 120.776 121.223 -0.241 0.000 2.492 134 L HA 0.064 4.404 4.340 0.001 0.000 0.223 134 L C 1.318 178.148 176.870 -0.065 0.000 1.132 134 L CA 0.431 55.173 54.840 -0.164 0.000 0.850 134 L CB -0.311 41.656 42.059 -0.153 0.000 0.966 134 L HN -0.235 nan 8.230 nan 0.000 0.454 135 S N -0.849 114.814 115.700 -0.062 0.000 2.501 135 S HA 0.195 4.665 4.470 0.001 0.000 0.301 135 S C 0.733 175.321 174.600 -0.020 0.000 1.096 135 S CA -0.647 57.529 58.200 -0.040 0.000 1.063 135 S CB 1.983 65.148 63.200 -0.058 0.000 1.042 135 S HN 0.175 nan 8.310 nan 0.000 0.494 136 E N 2.746 122.954 120.200 0.014 0.000 2.268 136 E HA -0.025 4.325 4.350 0.001 0.000 0.195 136 E C 1.998 178.609 176.600 0.018 0.000 0.995 136 E CA 1.046 57.472 56.400 0.043 0.000 0.836 136 E CB -0.156 29.579 29.700 0.057 0.000 0.763 136 E HN 0.797 nan 8.360 nan 0.000 0.491 137 A N 0.700 123.512 122.820 -0.014 0.000 1.978 137 A HA -0.195 4.125 4.320 0.001 0.000 0.220 137 A C 2.093 179.652 177.584 -0.042 0.000 1.170 137 A CA 1.003 53.027 52.037 -0.022 0.000 0.636 137 A CB -0.434 18.544 19.000 -0.037 0.000 0.810 137 A HN 0.353 nan 8.150 nan 0.000 0.448 138 I N -0.220 120.280 120.570 -0.117 0.000 2.454 138 I HA -0.201 3.969 4.170 0.001 0.000 0.254 138 I C 2.015 178.090 176.117 -0.070 0.000 1.156 138 I CA 1.025 62.185 61.300 -0.234 0.000 1.433 138 I CB -0.130 37.493 38.000 -0.628 0.000 1.082 138 I HN 0.388 nan 8.210 nan 0.000 0.432 139 I N 0.182 120.775 120.570 0.040 0.000 2.163 139 I HA -0.286 3.884 4.170 0.001 0.000 0.243 139 I C 2.410 178.649 176.117 0.203 0.000 1.085 139 I CA 1.510 62.914 61.300 0.173 0.000 1.347 139 I CB -0.423 37.669 38.000 0.153 0.000 1.044 139 I HN 0.212 nan 8.210 nan 0.000 0.408 140 E N 0.784 121.062 120.200 0.131 0.000 2.107 140 E HA -0.127 4.224 4.350 0.001 0.000 0.191 140 E C 2.217 178.905 176.600 0.146 0.000 0.982 140 E CA 1.272 57.746 56.400 0.123 0.000 0.809 140 E CB -0.020 29.728 29.700 0.081 0.000 0.756 140 E HN 0.293 nan 8.360 nan 0.000 0.459 141 S N -0.184 115.611 115.700 0.159 0.000 2.382 141 S HA -0.122 4.348 4.470 0.001 0.000 0.228 141 S C 1.648 176.470 174.600 0.370 0.000 1.027 141 S CA 1.088 59.430 58.200 0.237 0.000 0.991 141 S CB -0.442 62.867 63.200 0.182 0.000 0.823 141 S HN 0.406 nan 8.310 nan 0.000 0.469 142 F N 2.477 122.563 119.950 0.226 0.000 2.163 142 F HA -0.062 4.464 4.527 -0.001 0.000 0.297 142 F C 2.059 177.879 175.800 0.032 0.000 1.094 142 F CA 1.423 59.513 58.000 0.150 0.000 1.290 142 F CB -0.468 38.696 39.000 0.273 0.000 1.017 142 F HN 0.093 nan 8.300 nan 0.000 0.483 143 D N 0.287 120.785 120.400 0.164 0.000 2.116 143 D HA -0.216 4.424 4.640 0.001 0.000 0.193 143 D C 2.077 178.324 176.300 -0.088 0.000 0.998 143 D CA 1.730 55.754 54.000 0.040 0.000 0.836 143 D CB -0.097 40.786 40.800 0.138 0.000 0.951 143 D HN 0.273 nan 8.370 nan 0.000 0.449 144 K N -1.200 119.192 120.400 -0.013 0.000 2.097 144 K HA -0.156 4.164 4.320 0.001 0.000 0.205 144 K C 2.246 178.810 176.600 -0.060 0.000 1.050 144 K CA 1.025 57.312 56.287 0.001 0.000 0.938 144 K CB -0.369 32.169 32.500 0.064 0.000 0.718 144 K HN 0.337 nan 8.250 nan 0.000 0.442 145 Y N 1.176 121.288 120.300 -0.314 0.000 2.181 145 Y HA -0.290 4.263 4.550 0.005 0.000 0.288 145 Y C 2.192 177.710 175.900 -0.637 0.000 1.146 145 Y CA 1.363 59.151 58.100 -0.520 0.000 1.164 145 Y CB -0.100 37.687 38.460 -1.121 0.000 0.982 145 Y HN 0.054 nan 8.280 nan 0.000 0.515 146 A N 0.524 122.704 122.820 -1.066 0.000 1.883 146 A HA -0.271 4.050 4.320 0.001 0.000 0.217 146 A C 2.096 178.880 177.584 -1.334 0.000 1.186 146 A CA 2.038 53.227 52.037 -1.412 0.000 0.624 146 A CB -0.852 17.468 19.000 -1.133 0.000 0.822 146 A HN 0.687 nan 8.150 nan 0.000 0.444 147 Q N -1.882 117.565 119.800 -0.589 0.000 2.084 147 Q HA -0.182 4.159 4.340 0.001 0.000 0.202 147 Q C 1.942 177.784 176.000 -0.265 0.000 0.978 147 Q CA 1.664 57.344 55.803 -0.204 0.000 0.844 147 Q CB -0.322 28.491 28.738 0.125 0.000 0.898 147 Q HN 0.788 nan 8.270 nan 0.000 0.426 148 F N 0.568 120.301 119.950 -0.362 0.000 2.134 148 F HA -0.255 4.274 4.527 0.003 0.000 0.299 148 F C 2.104 177.670 175.800 -0.390 0.000 1.097 148 F CA 1.231 59.069 58.000 -0.270 0.000 1.264 148 F CB -0.442 38.469 39.000 -0.148 0.000 1.001 148 F HN 0.055 nan 8.300 nan 0.000 0.479 149 C N 0.494 119.366 119.300 -0.713 0.000 2.432 149 C HA -0.167 4.293 4.460 0.001 0.000 0.277 149 C C 2.645 177.308 174.990 -0.545 0.000 1.249 149 C CA 0.764 59.404 59.018 -0.630 0.000 1.725 149 C CB -1.706 25.590 27.740 -0.740 0.000 2.028 149 C HN 0.505 nan 8.230 nan 0.000 0.477 150 F N 1.312 120.731 119.950 -0.886 0.000 2.126 150 F HA -0.144 4.385 4.527 0.003 0.000 0.299 150 F C 2.819 178.132 175.800 -0.812 0.000 1.096 150 F CA 1.694 59.069 58.000 -1.040 0.000 1.255 150 F CB -1.568 36.400 39.000 -1.719 0.000 0.997 150 F HN 0.198 nan 8.300 nan 0.000 0.479 151 S N -0.755 114.593 115.700 -0.588 0.000 2.368 151 S HA -0.150 4.320 4.470 0.001 0.000 0.224 151 S C 2.063 176.500 174.600 -0.271 0.000 1.029 151 S CA 1.970 60.066 58.200 -0.173 0.000 0.988 151 S CB -0.461 62.743 63.200 0.006 0.000 0.838 151 S HN 0.412 nan 8.310 nan 0.000 0.462 152 T N 0.406 114.602 114.554 -0.597 0.000 2.896 152 T HA 0.143 4.493 4.350 0.001 0.000 0.263 152 T C 0.876 175.149 174.700 -0.712 0.000 1.050 152 T CA 1.072 62.651 62.100 -0.870 0.000 1.140 152 T CB -0.228 67.663 68.868 -1.629 0.000 0.877 152 T HN 0.501 nan 8.240 nan 0.000 0.457 153 F N 0.109 120.058 119.950 -0.001 0.000 2.752 153 F HA 0.432 4.959 4.527 -0.001 0.000 0.310 153 F C 2.293 178.221 175.800 0.215 0.000 1.097 153 F CA -0.749 57.324 58.000 0.123 0.000 1.238 153 F CB -0.510 38.604 39.000 0.189 0.000 1.061 153 F HN 0.137 nan 8.300 nan 0.000 0.591 154 G N 0.672 109.736 108.800 0.440 0.000 2.559 154 G HA2 -0.198 3.763 3.960 0.001 0.000 0.216 154 G HA3 -0.198 3.763 3.960 0.001 0.000 0.216 154 G C 1.293 176.361 174.900 0.281 0.000 1.126 154 G CA 1.067 46.469 45.100 0.504 0.000 0.778 154 G HN 0.436 nan 8.290 nan 0.000 0.543 155 D N 0.107 120.616 120.400 0.183 0.000 2.312 155 D HA -0.034 4.606 4.640 0.001 0.000 0.211 155 D C 2.068 178.432 176.300 0.106 0.000 0.964 155 D CA 0.470 54.543 54.000 0.123 0.000 0.877 155 D CB -0.069 40.782 40.800 0.084 0.000 0.924 155 D HN 0.355 nan 8.370 nan 0.000 0.515 156 R N -0.450 120.121 120.500 0.118 0.000 2.492 156 R HA 0.237 4.577 4.340 0.001 0.000 0.219 156 R C 0.019 176.331 176.300 0.020 0.000 0.886 156 R CA -0.070 56.073 56.100 0.073 0.000 1.003 156 R CB 1.450 31.799 30.300 0.082 0.000 1.345 156 R HN -0.059 nan 8.270 nan 0.000 0.631 157 V N 2.663 122.573 119.914 -0.006 0.000 2.432 157 V HA 0.164 4.284 4.120 0.001 0.000 0.275 157 V C 0.452 176.399 176.094 -0.244 0.000 1.043 157 V CA 0.022 62.159 62.300 -0.271 0.000 0.925 157 V CB 1.589 32.995 31.823 -0.695 0.000 0.985 157 V HN 0.134 nan 8.190 nan 0.000 0.466 158 K N 2.964 123.209 120.400 -0.259 0.000 2.438 158 K HA 0.295 4.615 4.320 0.001 0.000 0.206 158 K C 0.015 176.509 176.600 -0.176 0.000 1.081 158 K CA -0.009 56.212 56.287 -0.111 0.000 1.053 158 K CB 1.079 33.578 32.500 -0.002 0.000 0.908 158 K HN 0.608 nan 8.250 nan 0.000 0.556 159 Q N -0.090 119.499 119.800 -0.353 0.000 2.309 159 Q HA 0.357 4.697 4.340 0.001 0.000 0.270 159 Q C -1.588 174.240 176.000 -0.287 0.000 1.023 159 Q CA -0.207 55.475 55.803 -0.203 0.000 0.758 159 Q CB 1.500 30.183 28.738 -0.092 0.000 1.247 159 Q HN 0.024 nan 8.270 nan 0.000 0.455 160 W N 3.564 124.899 121.300 0.058 0.000 2.702 160 W HA 0.611 5.271 4.660 0.000 0.000 0.331 160 W C -0.726 175.868 176.519 0.124 0.000 1.049 160 W CA -0.696 56.673 57.345 0.041 0.000 1.230 160 W CB 1.373 30.818 29.460 -0.025 0.000 1.408 160 W HN 0.320 nan 8.180 nan 0.000 0.492 161 I N 3.012 123.792 120.570 0.350 0.000 2.389 161 I HA 0.127 4.298 4.170 0.001 0.000 0.288 161 I C 1.364 177.645 176.117 0.274 0.000 0.999 161 I CA -0.555 60.886 61.300 0.234 0.000 1.129 161 I CB 1.237 39.329 38.000 0.153 0.000 1.288 161 I HN 0.676 nan 8.210 nan 0.000 0.444 162 T N 4.668 119.401 114.554 0.298 0.000 2.698 162 T HA 0.167 4.517 4.350 0.001 0.000 0.260 162 T C 0.769 175.750 174.700 0.468 0.000 1.044 162 T CA 0.930 63.288 62.100 0.430 0.000 1.149 162 T CB 0.118 69.335 68.868 0.582 0.000 0.864 162 T HN 0.392 nan 8.240 nan 0.000 0.419 163 I N 2.099 122.824 120.570 0.258 0.000 2.447 163 I HA 0.305 4.475 4.170 0.001 0.000 0.287 163 I C -0.351 175.744 176.117 -0.038 0.000 1.023 163 I CA -0.876 60.525 61.300 0.168 0.000 1.083 163 I CB 1.892 39.903 38.000 0.020 0.000 1.245 163 I HN 0.292 nan 8.210 nan 0.000 0.434 164 N N 6.559 125.161 118.700 -0.165 0.000 2.468 164 N HA -0.021 4.719 4.740 0.001 0.000 0.265 164 N C 0.175 175.473 175.510 -0.354 0.000 1.199 164 N CA 0.393 53.215 53.050 -0.380 0.000 0.928 164 N CB 0.690 38.649 38.487 -0.880 0.000 1.059 164 N HN 0.705 nan 8.380 nan 0.000 0.467 165 Q N 1.825 121.479 119.800 -0.244 0.000 2.431 165 Q HA -0.276 4.064 4.340 0.001 0.000 0.344 165 Q C 0.640 176.548 176.000 -0.154 0.000 1.384 165 Q CA 0.497 56.216 55.803 -0.141 0.000 0.984 165 Q CB -0.977 27.745 28.738 -0.026 0.000 1.204 165 Q HN 0.779 nan 8.270 nan 0.000 0.392 166 A N 0.963 123.605 122.820 -0.297 0.000 1.978 166 A HA -0.278 4.042 4.320 0.001 0.000 0.220 166 A C 1.571 178.806 177.584 -0.582 0.000 1.170 166 A CA 1.726 53.547 52.037 -0.359 0.000 0.636 166 A CB -0.378 18.433 19.000 -0.314 0.000 0.810 166 A HN 0.891 nan 8.150 nan 0.000 0.448 167 N N 0.574 118.719 118.700 -0.925 0.000 2.106 167 N HA -0.117 4.623 4.740 0.001 0.000 0.188 167 N C 1.419 176.731 175.510 -0.331 0.000 1.029 167 N CA 1.998 54.550 53.050 -0.831 0.000 0.848 167 N CB -1.222 36.859 38.487 -0.677 0.000 1.007 167 N HN 0.235 nan 8.380 nan 0.000 0.423 168 V N 1.070 120.788 119.914 -0.327 0.000 2.343 168 V HA -0.142 3.979 4.120 0.001 0.000 0.247 168 V C 2.527 178.322 176.094 -0.498 0.000 1.051 168 V CA 1.282 63.320 62.300 -0.437 0.000 1.036 168 V CB -0.800 30.712 31.823 -0.519 0.000 0.654 168 V HN 0.251 nan 8.190 nan 0.000 0.451 169 L N 1.348 122.348 121.223 -0.373 0.000 2.012 169 L HA -0.186 4.154 4.340 0.001 0.000 0.210 169 L C 2.713 179.472 176.870 -0.185 0.000 1.073 169 L CA 2.665 57.290 54.840 -0.358 0.000 0.748 169 L CB -0.835 41.181 42.059 -0.072 0.000 0.891 169 L HN 0.505 nan 8.230 nan 0.000 0.431 170 S N -1.658 114.007 115.700 -0.058 0.000 2.368 170 S HA -0.163 4.308 4.470 0.001 0.000 0.225 170 S C 1.900 176.507 174.600 0.011 0.000 1.030 170 S CA 1.440 59.706 58.200 0.110 0.000 0.999 170 S CB -1.272 62.048 63.200 0.200 0.000 0.844 170 S HN 0.289 nan 8.310 nan 0.000 0.459 171 V N 1.788 121.611 119.914 -0.152 0.000 2.323 171 V HA -0.069 4.051 4.120 0.001 0.000 0.244 171 V C 2.757 178.640 176.094 -0.353 0.000 1.041 171 V CA 1.704 63.859 62.300 -0.242 0.000 1.025 171 V CB -0.668 30.984 31.823 -0.285 0.000 0.656 171 V HN 0.422 nan 8.190 nan 0.000 0.451 172 M N -0.358 118.906 119.600 -0.560 0.000 2.132 172 M HA -0.076 4.404 4.480 0.001 0.000 0.263 172 M C 2.380 178.314 176.300 -0.610 0.000 1.065 172 M CA 1.624 56.435 55.300 -0.816 0.000 1.122 172 M CB -1.285 30.310 32.600 -1.675 0.000 1.365 172 M HN 0.316 nan 8.290 nan 0.000 0.411 173 S N -1.016 114.373 115.700 -0.519 0.000 2.395 173 S HA -0.038 4.432 4.470 0.001 0.000 0.225 173 S C 1.377 175.586 174.600 -0.653 0.000 1.027 173 S CA 0.934 58.772 58.200 -0.604 0.000 0.965 173 S CB 0.008 62.754 63.200 -0.756 0.000 0.812 173 S HN 0.439 nan 8.310 nan 0.000 0.482 174 Y N -0.275 119.990 120.300 -0.059 0.000 2.423 174 Y HA 0.347 4.895 4.550 -0.002 0.000 0.257 174 Y C 1.864 177.811 175.900 0.078 0.000 1.087 174 Y CA -0.634 57.503 58.100 0.062 0.000 1.258 174 Y CB 0.291 38.802 38.460 0.085 0.000 1.237 174 Y HN 0.170 nan 8.280 nan 0.000 0.517 175 D N -0.102 120.337 120.400 0.066 0.000 2.735 175 D HA 0.044 4.685 4.640 0.001 0.000 0.267 175 D C 1.837 178.144 176.300 0.012 0.000 1.081 175 D CA 0.651 54.657 54.000 0.010 0.000 0.980 175 D CB 0.275 40.981 40.800 -0.156 0.000 1.129 175 D HN 0.197 nan 8.370 nan 0.000 0.459 176 L N 0.333 121.477 121.223 -0.131 0.000 2.179 176 L HA 0.122 4.462 4.340 0.001 0.000 0.208 176 L C 1.536 178.403 176.870 -0.004 0.000 1.096 176 L CA 0.824 55.623 54.840 -0.068 0.000 0.779 176 L CB -0.245 41.681 42.059 -0.222 0.000 0.922 176 L HN 0.264 nan 8.230 nan 0.000 0.443 177 G N -0.268 108.463 108.800 -0.114 0.000 2.221 177 G HA2 -0.293 3.667 3.960 0.001 0.000 0.265 177 G HA3 -0.293 3.667 3.960 0.001 0.000 0.265 177 G C 0.852 175.691 174.900 -0.102 0.000 1.041 177 G CA 0.400 45.419 45.100 -0.135 0.000 0.807 177 G HN 0.154 nan 8.290 nan 0.000 0.502 178 M N -1.407 118.099 119.600 -0.156 0.000 2.288 178 M HA 0.258 4.738 4.480 0.001 0.000 0.266 178 M C 0.829 177.135 176.300 0.010 0.000 1.072 178 M CA 0.982 56.243 55.300 -0.064 0.000 1.132 178 M CB -0.282 32.215 32.600 -0.172 0.000 1.386 178 M HN 0.227 nan 8.290 nan 0.000 0.432 179 F N 1.075 120.726 119.950 -0.498 0.000 2.450 179 F HA 0.442 4.968 4.527 -0.001 0.000 0.328 179 F C -1.739 173.398 175.800 -1.105 0.000 1.068 179 F CA -3.526 53.919 58.000 -0.924 0.000 1.007 179 F CB -0.322 38.227 39.000 -0.752 0.000 1.251 179 F HN -0.125 nan 8.300 nan 0.000 0.492 180 P HA 0.046 nan 4.420 nan 0.000 0.266 180 P C -2.265 174.685 177.300 -0.584 0.000 1.195 180 P CA -0.919 61.641 63.100 -0.900 0.000 0.768 180 P CB 0.298 31.386 31.700 -1.022 0.000 0.838 181 P HA -0.021 nan 4.420 nan 0.000 0.245 181 P C 0.910 178.154 177.300 -0.092 0.000 1.212 181 P CA 0.963 63.955 63.100 -0.180 0.000 0.774 181 P CB -0.314 31.345 31.700 -0.068 0.000 0.999 182 G N 0.125 108.837 108.800 -0.147 0.000 2.147 182 G HA2 -0.192 3.768 3.960 0.001 0.000 0.244 182 G HA3 -0.192 3.768 3.960 0.001 0.000 0.244 182 G C -0.030 174.837 174.900 -0.054 0.000 1.005 182 G CA -0.323 44.768 45.100 -0.016 0.000 0.713 182 G HN 0.281 nan 8.290 nan 0.000 0.515 183 I N 0.801 121.299 120.570 -0.120 0.000 2.339 183 I HA 0.353 4.523 4.170 0.001 0.000 0.290 183 I C -2.176 173.713 176.117 -0.380 0.000 0.994 183 I CA -3.127 58.041 61.300 -0.219 0.000 1.191 183 I CB 1.126 39.004 38.000 -0.204 0.000 1.343 183 I HN -0.172 nan 8.210 nan 0.000 0.458 184 P HA 0.211 nan 4.420 nan 0.000 0.271 184 P C -0.494 176.574 177.300 -0.388 0.000 1.216 184 P CA 0.176 63.161 63.100 -0.192 0.000 0.776 184 P CB 0.394 32.007 31.700 -0.145 0.000 0.881 185 H N 2.437 121.616 119.070 0.182 0.000 2.597 185 H HA 0.210 4.765 4.556 -0.003 0.000 0.225 185 H C -0.253 175.209 175.328 0.223 0.000 1.422 185 H CA -0.526 55.609 56.048 0.145 0.000 1.335 185 H CB -0.458 29.366 29.762 0.103 0.000 1.783 185 H HN 0.275 nan 8.280 nan 0.000 0.513 186 F N 1.649 121.615 119.950 0.027 0.000 2.548 186 F HA 0.100 4.626 4.527 -0.000 0.000 0.403 186 F C 1.817 177.603 175.800 -0.023 0.000 1.004 186 F CA 1.873 59.862 58.000 -0.019 0.000 1.177 186 F CB -0.074 38.916 39.000 -0.018 0.000 0.974 186 F HN 0.741 nan 8.300 nan 0.000 0.541 187 G N 2.179 110.977 108.800 -0.003 0.000 2.189 187 G HA2 -0.364 3.596 3.960 0.001 0.000 0.267 187 G HA3 -0.364 3.596 3.960 0.001 0.000 0.267 187 G C 0.862 175.715 174.900 -0.078 0.000 0.975 187 G CA 1.065 46.115 45.100 -0.083 0.000 0.644 187 G HN 0.980 nan 8.290 nan 0.000 0.537 188 T N -4.506 110.021 114.554 -0.046 0.000 3.115 188 T HA 0.387 4.737 4.350 0.001 0.000 0.256 188 T C 2.344 177.019 174.700 -0.041 0.000 0.970 188 T CA 1.307 63.391 62.100 -0.027 0.000 1.010 188 T CB -0.264 68.602 68.868 -0.004 0.000 1.151 188 T HN 1.082 nan 8.240 nan 0.000 0.479 189 G N 1.441 110.254 108.800 0.023 0.000 2.402 189 G HA2 0.152 4.112 3.960 0.001 0.000 0.216 189 G HA3 0.152 4.112 3.960 0.001 0.000 0.216 189 G C 1.624 176.550 174.900 0.044 0.000 1.162 189 G CA 0.824 45.966 45.100 0.070 0.000 0.777 189 G HN 0.672 nan 8.290 nan 0.000 0.539 190 G N 0.104 108.872 108.800 -0.053 0.000 2.446 190 G HA2 -0.214 3.746 3.960 0.001 0.000 0.217 190 G HA3 -0.214 3.746 3.960 0.001 0.000 0.217 190 G C 1.630 176.513 174.900 -0.027 0.000 1.168 190 G CA 1.101 46.153 45.100 -0.081 0.000 0.771 190 G HN 0.401 nan 8.290 nan 0.000 0.551 191 Y N 0.419 120.711 120.300 -0.014 0.000 2.200 191 Y HA -0.057 4.494 4.550 0.002 0.000 0.290 191 Y C 2.926 178.784 175.900 -0.070 0.000 1.137 191 Y CA 1.001 59.049 58.100 -0.086 0.000 1.163 191 Y CB -0.948 37.412 38.460 -0.166 0.000 0.988 191 Y HN 0.309 nan 8.280 nan 0.000 0.518 192 Q N 0.021 119.865 119.800 0.073 0.000 2.050 192 Q HA -0.160 4.181 4.340 0.001 0.000 0.202 192 Q C 2.409 178.437 176.000 0.046 0.000 0.980 192 Q CA 1.615 57.428 55.803 0.018 0.000 0.840 192 Q CB -0.232 28.479 28.738 -0.046 0.000 0.898 192 Q HN 0.430 nan 8.270 nan 0.000 0.424 193 A N 0.761 123.571 122.820 -0.017 0.000 1.877 193 A HA -0.126 4.194 4.320 0.001 0.000 0.216 193 A C 2.319 179.957 177.584 0.091 0.000 1.186 193 A CA 1.685 53.699 52.037 -0.038 0.000 0.620 193 A CB -1.162 17.722 19.000 -0.194 0.000 0.822 193 A HN 0.559 nan 8.150 nan 0.000 0.443 194 A N -0.962 121.939 122.820 0.135 0.000 1.892 194 A HA -0.301 4.020 4.320 0.001 0.000 0.218 194 A C 2.156 179.797 177.584 0.095 0.000 1.188 194 A CA 2.004 54.117 52.037 0.127 0.000 0.631 194 A CB -1.123 17.881 19.000 0.006 0.000 0.822 194 A HN 0.792 nan 8.150 nan 0.000 0.447 195 H N -0.115 118.987 119.070 0.053 0.000 2.352 195 H HA -0.129 4.427 4.556 -0.000 0.000 0.299 195 H C 1.675 177.120 175.328 0.196 0.000 1.097 195 H CA 1.915 58.023 56.048 0.099 0.000 1.311 195 H CB -0.038 29.719 29.762 -0.008 0.000 1.377 195 H HN 0.428 nan 8.280 nan 0.000 0.504 196 N N 0.573 119.384 118.700 0.185 0.000 2.300 196 N HA -0.066 4.674 4.740 0.001 0.000 0.179 196 N C 2.386 178.045 175.510 0.247 0.000 1.016 196 N CA 0.468 53.647 53.050 0.216 0.000 0.876 196 N CB -0.214 38.466 38.487 0.322 0.000 0.979 196 N HN 0.345 nan 8.380 nan 0.000 0.432 197 L N 0.611 121.893 121.223 0.098 0.000 2.046 197 L HA -0.070 4.271 4.340 0.001 0.000 0.208 197 L C 2.096 178.956 176.870 -0.017 0.000 1.077 197 L CA 0.862 55.588 54.840 -0.189 0.000 0.747 197 L CB -0.322 41.562 42.059 -0.292 0.000 0.896 197 L HN 0.074 nan 8.230 nan 0.000 0.432 198 I N -0.375 120.231 120.570 0.061 0.000 2.179 198 I HA -0.304 3.866 4.170 0.001 0.000 0.242 198 I C 2.501 178.629 176.117 0.019 0.000 1.088 198 I CA 1.439 62.768 61.300 0.048 0.000 1.357 198 I CB -0.243 37.773 38.000 0.026 0.000 1.051 198 I HN 0.164 nan 8.210 nan 0.000 0.409 199 K N 0.741 121.144 120.400 0.005 0.000 2.057 199 K HA -0.133 4.187 4.320 0.001 0.000 0.207 199 K C 2.244 178.900 176.600 0.092 0.000 1.049 199 K CA 1.512 57.797 56.287 -0.004 0.000 0.931 199 K CB -0.278 32.208 32.500 -0.024 0.000 0.714 199 K HN 0.320 nan 8.250 nan 0.000 0.440 200 A N 1.168 124.084 122.820 0.160 0.000 1.898 200 A HA -0.215 4.106 4.320 0.001 0.000 0.216 200 A C 2.078 179.797 177.584 0.226 0.000 1.181 200 A CA 1.481 53.663 52.037 0.241 0.000 0.620 200 A CB -0.826 18.368 19.000 0.323 0.000 0.819 200 A HN 0.424 nan 8.150 nan 0.000 0.442 201 H N 0.244 119.336 119.070 0.038 0.000 2.319 201 H HA -0.154 4.402 4.556 -0.000 0.000 0.297 201 H C 2.216 177.636 175.328 0.153 0.000 1.097 201 H CA 1.999 58.102 56.048 0.091 0.000 1.285 201 H CB -0.212 29.539 29.762 -0.019 0.000 1.368 201 H HN 0.394 nan 8.280 nan 0.000 0.495 202 A N 1.854 124.640 122.820 -0.057 0.000 1.902 202 A HA -0.135 4.185 4.320 0.001 0.000 0.217 202 A C 2.581 180.255 177.584 0.150 0.000 1.181 202 A CA 1.077 53.076 52.037 -0.063 0.000 0.623 202 A CB -0.389 18.598 19.000 -0.022 0.000 0.818 202 A HN 0.326 nan 8.150 nan 0.000 0.443 203 R N 0.510 121.115 120.500 0.175 0.000 2.083 203 R HA -0.138 4.202 4.340 0.001 0.000 0.237 203 R C 2.679 179.126 176.300 0.246 0.000 1.137 203 R CA 1.873 58.108 56.100 0.224 0.000 0.951 203 R CB -1.150 29.266 30.300 0.193 0.000 0.851 203 R HN 0.747 nan 8.270 nan 0.000 0.434 204 S N -0.636 115.209 115.700 0.241 0.000 2.382 204 S HA -0.183 4.287 4.470 0.001 0.000 0.228 204 S C 1.904 176.644 174.600 0.233 0.000 1.027 204 S CA 0.923 59.268 58.200 0.242 0.000 0.991 204 S CB -0.624 62.754 63.200 0.295 0.000 0.823 204 S HN 0.561 nan 8.310 nan 0.000 0.469 205 W N 2.315 123.538 121.300 -0.128 0.000 2.358 205 W HA -0.093 4.567 4.660 -0.000 0.000 0.303 205 W C 2.491 178.933 176.519 -0.129 0.000 1.208 205 W CA 1.842 59.054 57.345 -0.221 0.000 1.274 205 W CB -0.331 28.837 29.460 -0.486 0.000 1.138 205 W HN 0.365 nan 8.180 nan 0.000 0.515 206 H N -0.659 118.616 119.070 0.342 0.000 2.389 206 H HA -0.094 4.462 4.556 0.000 0.000 0.299 206 H C 2.370 177.715 175.328 0.028 0.000 1.081 206 H CA 1.822 57.995 56.048 0.207 0.000 1.345 206 H CB -0.722 29.171 29.762 0.219 0.000 1.393 206 H HN 0.126 nan 8.280 nan 0.000 0.520 207 S N 0.464 116.286 115.700 0.203 0.000 2.359 207 S HA -0.203 4.268 4.470 0.001 0.000 0.224 207 S C 2.024 176.714 174.600 0.150 0.000 1.035 207 S CA 1.319 59.629 58.200 0.183 0.000 1.018 207 S CB -0.532 62.830 63.200 0.270 0.000 0.876 207 S HN 0.448 nan 8.310 nan 0.000 0.448 208 Y N 2.169 122.407 120.300 -0.103 0.000 2.114 208 Y HA -0.205 4.345 4.550 0.000 0.000 0.284 208 Y C 2.243 177.892 175.900 -0.418 0.000 1.143 208 Y CA 1.939 59.776 58.100 -0.438 0.000 1.135 208 Y CB -0.727 37.132 38.460 -1.002 0.000 0.980 208 Y HN 0.228 nan 8.280 nan 0.000 0.499 209 D N -0.806 119.275 120.400 -0.533 0.000 2.106 209 D HA -0.219 4.422 4.640 0.001 0.000 0.191 209 D C 2.306 178.396 176.300 -0.350 0.000 0.997 209 D CA 2.241 55.891 54.000 -0.584 0.000 0.834 209 D CB -0.332 39.966 40.800 -0.836 0.000 0.956 209 D HN 0.433 nan 8.370 nan 0.000 0.448 210 S N -1.213 114.352 115.700 -0.224 0.000 2.446 210 S HA 0.024 4.495 4.470 0.001 0.000 0.225 210 S C 1.968 176.417 174.600 -0.252 0.000 1.016 210 S CA 0.411 58.512 58.200 -0.165 0.000 0.943 210 S CB -0.158 63.002 63.200 -0.067 0.000 0.786 210 S HN 0.352 nan 8.310 nan 0.000 0.508 211 L N -2.010 119.002 121.223 -0.353 0.000 2.609 211 L HA 0.455 4.796 4.340 0.001 0.000 0.230 211 L C 1.370 177.713 176.870 -0.879 0.000 1.064 211 L CA 0.359 54.826 54.840 -0.621 0.000 0.873 211 L CB 0.031 41.621 42.059 -0.781 0.000 1.139 211 L HN 0.229 nan 8.230 nan 0.000 0.490 212 F N -1.111 118.534 119.950 -0.508 0.000 2.747 212 F HA 0.234 4.762 4.527 0.001 0.000 0.305 212 F C 2.425 177.759 175.800 -0.776 0.000 1.065 212 F CA -0.214 57.404 58.000 -0.636 0.000 1.230 212 F CB -0.035 38.497 39.000 -0.780 0.000 1.027 212 F HN -0.246 nan 8.300 nan 0.000 0.607 213 R N 1.429 121.448 120.500 -0.801 0.000 2.091 213 R HA -0.192 4.148 4.340 0.001 0.000 0.238 213 R C 2.279 178.425 176.300 -0.257 0.000 1.136 213 R CA 1.801 57.547 56.100 -0.589 0.000 0.959 213 R CB -0.171 29.864 30.300 -0.442 0.000 0.856 213 R HN 0.167 nan 8.270 nan 0.000 0.437 214 K N 0.371 120.638 120.400 -0.223 0.000 2.032 214 K HA -0.198 4.122 4.320 0.001 0.000 0.209 214 K C 2.117 178.661 176.600 -0.095 0.000 1.048 214 K CA 1.429 57.636 56.287 -0.132 0.000 0.927 214 K CB -0.012 32.410 32.500 -0.129 0.000 0.712 214 K HN -0.034 nan 8.250 nan 0.000 0.441 215 K N 0.798 121.134 120.400 -0.106 0.000 2.001 215 K HA -0.120 4.200 4.320 0.001 0.000 0.208 215 K C 2.093 178.684 176.600 -0.015 0.000 1.048 215 K CA 1.643 57.899 56.287 -0.053 0.000 0.932 215 K CB 0.021 32.495 32.500 -0.045 0.000 0.715 215 K HN 0.347 nan 8.250 nan 0.000 0.437 216 Q N -0.130 119.659 119.800 -0.020 0.000 2.297 216 Q HA 0.046 4.386 4.340 0.001 0.000 0.203 216 Q C -0.157 175.899 176.000 0.093 0.000 0.931 216 Q CA 0.115 55.956 55.803 0.064 0.000 0.885 216 Q CB 0.396 29.211 28.738 0.128 0.000 0.991 216 Q HN 0.176 nan 8.270 nan 0.000 0.498 217 K N -0.158 120.276 120.400 0.056 0.000 3.129 217 K HA -0.182 4.139 4.320 0.001 0.000 0.273 217 K C 0.138 176.826 176.600 0.147 0.000 1.123 217 K CA 0.250 56.584 56.287 0.078 0.000 0.800 217 K CB -1.843 30.686 32.500 0.048 0.000 1.238 217 K HN 0.379 nan 8.250 nan 0.000 0.492 218 G N 0.559 109.531 108.800 0.285 0.000 2.671 218 G HA2 0.811 4.771 3.960 0.001 0.000 0.275 218 G HA3 0.811 4.771 3.960 0.001 0.000 0.275 218 G C -0.081 174.936 174.900 0.195 0.000 1.368 218 G CA -0.506 44.738 45.100 0.241 0.000 1.044 218 G HN 0.201 nan 8.290 nan 0.000 0.543 219 M N -1.744 117.909 119.600 0.088 0.000 2.593 219 M HA 0.788 5.269 4.480 0.001 0.000 0.290 219 M C -1.837 174.536 176.300 0.121 0.000 1.244 219 M CA -0.943 54.416 55.300 0.098 0.000 0.857 219 M CB 2.414 35.135 32.600 0.202 0.000 1.738 219 M HN 0.279 nan 8.290 nan 0.000 0.461 220 V N 0.799 120.779 119.914 0.111 0.000 2.709 220 V HA 0.810 4.930 4.120 0.001 0.000 0.308 220 V C -0.696 175.441 176.094 0.071 0.000 1.062 220 V CA -0.196 62.149 62.300 0.075 0.000 0.901 220 V CB 1.903 33.580 31.823 -0.243 0.000 1.003 220 V HN 1.043 nan 8.190 nan 0.000 0.425 221 S N 3.225 118.870 115.700 -0.091 0.000 2.880 221 S HA 0.863 5.333 4.470 0.001 0.000 0.308 221 S C -1.753 172.747 174.600 -0.167 0.000 1.195 221 S CA -0.546 57.437 58.200 -0.363 0.000 0.866 221 S CB 1.757 64.175 63.200 -1.304 0.000 1.254 221 S HN 0.918 nan 8.310 nan 0.000 0.571 222 L N 0.718 121.706 121.223 -0.392 0.000 2.409 222 L HA 0.928 5.268 4.340 0.001 0.000 0.262 222 L C -0.587 176.099 176.870 -0.306 0.000 0.992 222 L CA -0.749 53.905 54.840 -0.310 0.000 0.817 222 L CB 2.077 43.834 42.059 -0.504 0.000 1.350 222 L HN 0.645 nan 8.230 nan 0.000 0.411 223 S N 2.481 118.064 115.700 -0.196 0.000 2.578 223 S HA 0.819 5.289 4.470 0.001 0.000 0.283 223 S C -0.564 173.927 174.600 -0.182 0.000 1.195 223 S CA -0.719 57.388 58.200 -0.156 0.000 1.050 223 S CB 1.419 64.584 63.200 -0.059 0.000 1.012 223 S HN 0.661 nan 8.310 nan 0.000 0.511 224 L N 2.267 123.409 121.223 -0.136 0.000 2.408 224 L HA 0.527 4.868 4.340 0.001 0.000 0.268 224 L C -0.829 176.077 176.870 0.060 0.000 0.986 224 L CA -0.855 53.919 54.840 -0.108 0.000 0.820 224 L CB 1.864 43.818 42.059 -0.175 0.000 1.303 224 L HN 0.783 nan 8.230 nan 0.000 0.411 225 F N 2.793 122.712 119.950 -0.052 0.000 2.443 225 F HA 0.582 5.110 4.527 0.003 0.000 0.353 225 F C 0.171 176.065 175.800 0.157 0.000 1.101 225 F CA -0.189 57.841 58.000 0.050 0.000 1.226 225 F CB 0.996 39.998 39.000 0.004 0.000 1.140 225 F HN 0.466 nan 8.300 nan 0.000 0.557 226 A N 6.068 128.679 122.820 -0.348 0.000 2.375 226 A HA 0.649 4.969 4.320 0.001 0.000 0.295 226 A C -1.668 175.768 177.584 -0.247 0.000 1.066 226 A CA -0.661 51.367 52.037 -0.014 0.000 0.722 226 A CB 1.022 20.109 19.000 0.145 0.000 1.206 226 A HN 0.557 nan 8.150 nan 0.000 0.435 227 V N 3.611 123.503 119.914 -0.037 0.000 2.370 227 V HA 0.222 4.342 4.120 0.001 0.000 0.279 227 V C 0.209 176.394 176.094 0.153 0.000 1.029 227 V CA -0.661 61.583 62.300 -0.093 0.000 0.870 227 V CB 1.188 32.887 31.823 -0.207 0.000 0.984 227 V HN 0.914 nan 8.190 nan 0.000 0.451 228 W N 6.440 127.803 121.300 0.105 0.000 2.181 228 W HA 0.475 5.135 4.660 0.000 0.000 0.335 228 W C -1.368 175.174 176.519 0.038 0.000 1.310 228 W CA -0.320 57.070 57.345 0.076 0.000 1.226 228 W CB 0.683 30.183 29.460 0.066 0.000 1.155 228 W HN 0.422 nan 8.180 nan 0.000 0.565 229 L N 5.454 126.005 121.223 -1.120 0.000 2.410 229 L HA 0.351 4.692 4.340 0.001 0.000 0.270 229 L C -0.238 176.201 176.870 -0.718 0.000 0.983 229 L CA -0.883 53.551 54.840 -0.678 0.000 0.822 229 L CB 2.178 43.978 42.059 -0.431 0.000 1.285 229 L HN 0.312 nan 8.230 nan 0.000 0.409 230 E N 3.101 123.165 120.200 -0.226 0.000 2.256 230 E HA 0.453 4.803 4.350 0.001 0.000 0.267 230 E C -2.604 173.982 176.600 -0.023 0.000 0.892 230 E CA -1.941 54.447 56.400 -0.020 0.000 0.775 230 E CB 2.503 32.365 29.700 0.270 0.000 1.207 230 E HN 0.214 nan 8.360 nan 0.000 0.420 231 P HA 0.024 nan 4.420 nan 0.000 0.268 231 P C 0.206 177.515 177.300 0.016 0.000 1.204 231 P CA 0.192 63.291 63.100 -0.002 0.000 0.768 231 P CB 0.891 32.603 31.700 0.020 0.000 0.842 232 A N 3.442 126.257 122.820 -0.008 0.000 1.865 232 A HA -0.157 4.164 4.320 0.001 0.000 0.217 232 A C 1.033 178.669 177.584 0.086 0.000 1.191 232 A CA 1.712 53.777 52.037 0.046 0.000 0.623 232 A CB -0.867 18.218 19.000 0.141 0.000 0.826 232 A HN 0.581 nan 8.150 nan 0.000 0.444 233 D N -1.514 118.933 120.400 0.077 0.000 2.392 233 D HA 0.399 5.039 4.640 0.001 0.000 0.228 233 D C -2.281 174.048 176.300 0.049 0.000 1.074 233 D CA -2.450 51.587 54.000 0.062 0.000 0.838 233 D CB 1.406 42.242 40.800 0.061 0.000 1.067 233 D HN -0.039 nan 8.370 nan 0.000 0.511 234 P HA 0.017 nan 4.420 nan 0.000 0.230 234 P C 0.081 177.400 177.300 0.032 0.000 1.158 234 P CA 0.816 63.941 63.100 0.042 0.000 0.769 234 P CB 0.237 31.963 31.700 0.043 0.000 0.807 235 N N -1.945 116.772 118.700 0.029 0.000 2.299 235 N HA 0.018 4.759 4.740 0.001 0.000 0.187 235 N C 0.290 175.811 175.510 0.019 0.000 1.099 235 N CA -0.009 53.054 53.050 0.022 0.000 0.867 235 N CB 0.091 38.590 38.487 0.020 0.000 0.974 235 N HN -0.086 nan 8.380 nan 0.000 0.477 236 S N 0.428 116.143 115.700 0.024 0.000 2.448 236 S HA 0.161 4.632 4.470 0.001 0.000 0.279 236 S C 1.359 175.964 174.600 0.008 0.000 1.195 236 S CA -0.559 57.654 58.200 0.021 0.000 1.051 236 S CB 0.614 63.837 63.200 0.039 0.000 0.948 236 S HN -0.043 nan 8.310 nan 0.000 0.493 237 V N 5.443 125.353 119.914 -0.008 0.000 2.343 237 V HA -0.141 3.979 4.120 0.001 0.000 0.247 237 V C 2.667 178.730 176.094 -0.053 0.000 1.051 237 V CA 2.266 64.552 62.300 -0.024 0.000 1.036 237 V CB -1.010 30.795 31.823 -0.030 0.000 0.654 237 V HN 1.015 nan 8.190 nan 0.000 0.451 238 S N -0.081 115.570 115.700 -0.081 0.000 2.399 238 S HA -0.236 4.235 4.470 0.001 0.000 0.231 238 S C 1.616 176.181 174.600 -0.060 0.000 1.022 238 S CA 1.697 59.791 58.200 -0.176 0.000 0.983 238 S CB -0.481 62.557 63.200 -0.269 0.000 0.803 238 S HN 0.563 nan 8.310 nan 0.000 0.480 239 D N 1.508 121.919 120.400 0.018 0.000 2.149 239 D HA 0.005 4.646 4.640 0.001 0.000 0.201 239 D C 2.332 178.641 176.300 0.015 0.000 0.972 239 D CA 1.040 55.068 54.000 0.046 0.000 0.835 239 D CB -0.406 40.428 40.800 0.056 0.000 0.966 239 D HN 0.577 nan 8.370 nan 0.000 0.476 240 Q N 0.254 120.057 119.800 0.005 0.000 2.084 240 Q HA -0.128 4.212 4.340 0.001 0.000 0.202 240 Q C 1.927 177.927 176.000 -0.001 0.000 0.978 240 Q CA 1.042 56.848 55.803 0.004 0.000 0.844 240 Q CB 0.004 28.748 28.738 0.010 0.000 0.898 240 Q HN 0.423 nan 8.270 nan 0.000 0.426 241 E N 0.266 120.458 120.200 -0.013 0.000 2.107 241 E HA -0.110 4.240 4.350 0.001 0.000 0.191 241 E C 1.943 178.550 176.600 0.011 0.000 0.982 241 E CA 0.721 57.115 56.400 -0.009 0.000 0.809 241 E CB -0.055 29.619 29.700 -0.043 0.000 0.756 241 E HN 0.318 nan 8.360 nan 0.000 0.459 242 A N 1.628 124.458 122.820 0.016 0.000 1.933 242 A HA -0.085 4.235 4.320 0.001 0.000 0.218 242 A C 2.390 179.986 177.584 0.020 0.000 1.175 242 A CA 1.581 53.652 52.037 0.056 0.000 0.628 242 A CB -0.530 18.542 19.000 0.121 0.000 0.814 242 A HN 0.280 nan 8.150 nan 0.000 0.444 243 A N -0.118 122.690 122.820 -0.019 0.000 1.898 243 A HA -0.135 4.186 4.320 0.001 0.000 0.216 243 A C 2.108 179.635 177.584 -0.095 0.000 1.181 243 A CA 1.743 53.730 52.037 -0.083 0.000 0.620 243 A CB -0.389 18.542 19.000 -0.116 0.000 0.819 243 A HN 0.540 nan 8.150 nan 0.000 0.442 244 K N -0.844 119.530 120.400 -0.043 0.000 2.057 244 K HA -0.117 4.204 4.320 0.001 0.000 0.206 244 K C 2.350 178.986 176.600 0.059 0.000 1.050 244 K CA 1.429 57.711 56.287 -0.009 0.000 0.935 244 K CB -0.157 32.368 32.500 0.042 0.000 0.715 244 K HN 0.432 nan 8.250 nan 0.000 0.439 245 R N 0.708 121.266 120.500 0.095 0.000 2.115 245 R HA -0.070 4.270 4.340 0.001 0.000 0.230 245 R C 2.069 178.540 176.300 0.284 0.000 1.111 245 R CA 1.194 57.413 56.100 0.199 0.000 0.976 245 R CB -0.076 30.339 30.300 0.191 0.000 0.870 245 R HN 0.183 nan 8.270 nan 0.000 0.445 246 A N 0.492 123.403 122.820 0.153 0.000 2.016 246 A HA -0.025 4.296 4.320 0.001 0.000 0.217 246 A C 1.996 179.752 177.584 0.286 0.000 1.162 246 A CA 0.749 52.884 52.037 0.163 0.000 0.662 246 A CB -0.238 18.778 19.000 0.027 0.000 0.812 246 A HN 0.305 nan 8.150 nan 0.000 0.450 247 I N -0.442 120.214 120.570 0.144 0.000 2.202 247 I HA -0.200 3.970 4.170 0.001 0.000 0.242 247 I C 2.507 178.667 176.117 0.071 0.000 1.091 247 I CA 1.684 63.020 61.300 0.060 0.000 1.368 247 I CB -0.549 37.309 38.000 -0.237 0.000 1.058 247 I HN 0.221 nan 8.210 nan 0.000 0.410 248 T N 0.696 115.346 114.554 0.159 0.000 2.759 248 T HA -0.174 4.176 4.350 0.001 0.000 0.269 248 T C 1.672 176.465 174.700 0.156 0.000 1.042 248 T CA 1.547 63.748 62.100 0.168 0.000 1.140 248 T CB -0.358 68.600 68.868 0.152 0.000 0.864 248 T HN 0.137 nan 8.240 nan 0.000 0.455 249 F N 1.176 121.202 119.950 0.127 0.000 2.163 249 F HA -0.067 4.460 4.527 -0.000 0.000 0.297 249 F C 2.632 178.564 175.800 0.220 0.000 1.094 249 F CA 1.349 59.443 58.000 0.157 0.000 1.290 249 F CB -0.233 38.854 39.000 0.146 0.000 1.017 249 F HN 0.395 nan 8.300 nan 0.000 0.483 250 H N -1.380 117.879 119.070 0.314 0.000 2.497 250 H HA 0.049 4.605 4.556 0.000 0.000 0.282 250 H C 1.724 177.202 175.328 0.250 0.000 1.003 250 H CA 1.382 57.577 56.048 0.245 0.000 1.307 250 H CB -0.298 29.550 29.762 0.144 0.000 1.437 250 H HN 0.375 nan 8.280 nan 0.000 0.544 251 L N 1.040 122.104 121.223 -0.266 0.000 2.541 251 L HA 0.174 4.515 4.340 0.001 0.000 0.187 251 L C 1.536 178.502 176.870 0.159 0.000 1.098 251 L CA 0.930 55.691 54.840 -0.131 0.000 0.846 251 L CB 0.042 41.935 42.059 -0.277 0.000 1.151 251 L HN -0.099 nan 8.230 nan 0.000 0.492 252 D N 0.233 120.754 120.400 0.201 0.000 2.264 252 D HA -0.144 4.496 4.640 0.001 0.000 0.208 252 D C 2.216 178.670 176.300 0.256 0.000 0.966 252 D CA 1.097 55.283 54.000 0.311 0.000 0.864 252 D CB 0.017 41.009 40.800 0.321 0.000 0.933 252 D HN 0.352 nan 8.370 nan 0.000 0.499 253 L N -0.371 120.983 121.223 0.218 0.000 2.043 253 L HA -0.232 4.109 4.340 0.001 0.000 0.212 253 L C 1.981 178.943 176.870 0.152 0.000 1.075 253 L CA 1.440 56.381 54.840 0.168 0.000 0.752 253 L CB -0.156 41.972 42.059 0.115 0.000 0.891 253 L HN -0.079 nan 8.230 nan 0.000 0.432 254 F N -1.213 118.818 119.950 0.134 0.000 2.262 254 F HA 0.048 4.574 4.527 -0.001 0.000 0.292 254 F C 2.460 178.286 175.800 0.043 0.000 1.081 254 F CA 0.719 58.764 58.000 0.075 0.000 1.355 254 F CB -0.493 38.509 39.000 0.003 0.000 1.069 254 F HN 0.077 nan 8.300 nan 0.000 0.506 255 A N 0.080 123.053 122.820 0.255 0.000 1.929 255 A HA -0.145 4.175 4.320 0.001 0.000 0.216 255 A C 2.149 179.934 177.584 0.334 0.000 1.176 255 A CA 1.452 53.585 52.037 0.161 0.000 0.628 255 A CB -0.601 18.307 19.000 -0.154 0.000 0.816 255 A HN 0.298 nan 8.150 nan 0.000 0.444 256 K N -0.042 120.585 120.400 0.377 0.000 2.009 256 K HA -0.119 4.201 4.320 0.001 0.000 0.210 256 K C -0.840 175.864 176.600 0.173 0.000 1.049 256 K CA 1.701 58.199 56.287 0.353 0.000 0.929 256 K CB -0.813 31.831 32.500 0.239 0.000 0.714 256 K HN 0.341 nan 8.250 nan 0.000 0.440 257 P HA -0.160 nan 4.420 nan 0.000 0.215 257 P C 1.459 178.665 177.300 -0.158 0.000 1.157 257 P CA 1.493 64.521 63.100 -0.120 0.000 0.868 257 P CB -0.077 31.460 31.700 -0.272 0.000 0.788 258 I N -2.362 118.129 120.570 -0.132 0.000 2.286 258 I HA -0.184 3.986 4.170 0.001 0.000 0.245 258 I C 2.186 178.071 176.117 -0.386 0.000 1.104 258 I CA 1.482 62.607 61.300 -0.292 0.000 1.397 258 I CB -0.456 37.336 38.000 -0.347 0.000 1.072 258 I HN -0.198 nan 8.210 nan 0.000 0.417 259 F N -0.379 119.513 119.950 -0.097 0.000 2.530 259 F HA 0.154 4.681 4.527 0.000 0.000 0.292 259 F C 1.965 177.796 175.800 0.052 0.000 1.109 259 F CA 0.654 58.648 58.000 -0.010 0.000 1.450 259 F CB 0.136 39.200 39.000 0.107 0.000 1.114 259 F HN -0.120 nan 8.300 nan 0.000 0.560 260 I N -0.330 120.372 120.570 0.219 0.000 3.578 260 I HA 0.004 4.174 4.170 0.001 0.000 0.238 260 I C 0.867 177.000 176.117 0.026 0.000 1.080 260 I CA 0.683 62.064 61.300 0.134 0.000 1.538 260 I CB 0.055 38.140 38.000 0.140 0.000 1.477 260 I HN -0.023 nan 8.210 nan 0.000 0.464 261 D N -0.416 119.982 120.400 -0.003 0.000 2.563 261 D HA 0.171 4.811 4.640 0.001 0.000 0.256 261 D C 1.103 177.352 176.300 -0.086 0.000 1.400 261 D CA 0.419 54.397 54.000 -0.038 0.000 0.800 261 D CB 0.467 41.259 40.800 -0.014 0.000 1.145 261 D HN 0.407 nan 8.370 nan 0.000 0.501 262 G N 0.159 108.873 108.800 -0.144 0.000 2.168 262 G HA2 -0.251 3.709 3.960 0.001 0.000 0.263 262 G HA3 -0.251 3.709 3.960 0.001 0.000 0.263 262 G C -0.280 174.439 174.900 -0.302 0.000 0.977 262 G CA 0.486 45.423 45.100 -0.271 0.000 0.659 262 G HN 0.630 nan 8.290 nan 0.000 0.533 263 D N -1.409 118.911 120.400 -0.133 0.000 2.523 263 D HA 0.593 5.233 4.640 0.001 0.000 0.236 263 D C 0.327 176.631 176.300 0.007 0.000 1.094 263 D CA -0.811 53.176 54.000 -0.021 0.000 0.942 263 D CB 0.761 41.590 40.800 0.049 0.000 1.447 263 D HN 0.010 nan 8.370 nan 0.000 0.479 264 Y N 0.424 120.827 120.300 0.173 0.000 2.511 264 Y HA 0.226 4.776 4.550 -0.000 0.000 0.347 264 Y C -1.461 174.435 175.900 -0.006 0.000 1.257 264 Y CA -1.238 56.885 58.100 0.038 0.000 1.469 264 Y CB -0.455 37.952 38.460 -0.088 0.000 1.353 264 Y HN 0.163 nan 8.280 nan 0.000 0.617 265 P HA -0.021 nan 4.420 nan 0.000 0.266 265 P C 0.347 177.653 177.300 0.009 0.000 1.195 265 P CA 0.110 63.241 63.100 0.052 0.000 0.768 265 P CB 0.741 32.450 31.700 0.015 0.000 0.838 266 E N 1.608 121.815 120.200 0.011 0.000 2.085 266 E HA -0.124 4.227 4.350 0.001 0.000 0.194 266 E C 1.810 178.393 176.600 -0.029 0.000 0.994 266 E CA 1.024 57.423 56.400 -0.001 0.000 0.801 266 E CB -0.732 28.974 29.700 0.009 0.000 0.743 266 E HN 0.201 nan 8.360 nan 0.000 0.453 267 V N 0.685 120.584 119.914 -0.026 0.000 2.515 267 V HA -0.184 3.937 4.120 0.001 0.000 0.250 267 V C 2.299 178.345 176.094 -0.080 0.000 1.058 267 V CA 1.075 63.370 62.300 -0.007 0.000 1.064 267 V CB -0.090 31.765 31.823 0.054 0.000 0.675 267 V HN 0.031 nan 8.190 nan 0.000 0.461 268 V N 0.028 119.776 119.914 -0.276 0.000 2.295 268 V HA -0.262 3.859 4.120 0.001 0.000 0.246 268 V C 2.507 178.375 176.094 -0.376 0.000 1.049 268 V CA 2.477 64.415 62.300 -0.602 0.000 1.024 268 V CB -0.702 30.665 31.823 -0.760 0.000 0.648 268 V HN 0.534 nan 8.190 nan 0.000 0.447 269 K N 0.674 120.920 120.400 -0.258 0.000 2.057 269 K HA -0.166 4.154 4.320 0.001 0.000 0.207 269 K C 2.415 178.935 176.600 -0.134 0.000 1.049 269 K CA 1.884 58.047 56.287 -0.207 0.000 0.931 269 K CB -0.355 32.089 32.500 -0.094 0.000 0.714 269 K HN 0.652 nan 8.250 nan 0.000 0.440 270 S N 0.901 116.558 115.700 -0.072 0.000 2.371 270 S HA -0.108 4.363 4.470 0.001 0.000 0.224 270 S C 2.033 176.632 174.600 -0.003 0.000 1.029 270 S CA 0.482 58.665 58.200 -0.028 0.000 0.978 270 S CB -0.162 63.036 63.200 -0.004 0.000 0.833 270 S HN 0.163 nan 8.310 nan 0.000 0.466 271 Q N 1.338 121.159 119.800 0.034 0.000 2.030 271 Q HA 0.005 4.345 4.340 0.001 0.000 0.204 271 Q C 2.396 178.434 176.000 0.064 0.000 0.986 271 Q CA 1.634 57.498 55.803 0.103 0.000 0.843 271 Q CB -0.563 28.335 28.738 0.266 0.000 0.904 271 Q HN 0.652 nan 8.270 nan 0.000 0.420 272 I N 0.525 121.095 120.570 -0.000 0.000 2.252 272 I HA -0.238 3.932 4.170 0.001 0.000 0.245 272 I C 2.449 178.514 176.117 -0.086 0.000 1.102 272 I CA 0.975 62.229 61.300 -0.077 0.000 1.385 272 I CB -0.480 37.334 38.000 -0.309 0.000 1.064 272 I HN 0.058 nan 8.210 nan 0.000 0.414 273 A N 0.013 122.774 122.820 -0.099 0.000 1.883 273 A HA -0.264 4.056 4.320 0.001 0.000 0.217 273 A C 2.516 180.090 177.584 -0.017 0.000 1.186 273 A CA 2.369 54.364 52.037 -0.069 0.000 0.624 273 A CB -0.922 18.038 19.000 -0.067 0.000 0.822 273 A HN 0.411 nan 8.150 nan 0.000 0.444 274 S N -1.177 114.523 115.700 -0.000 0.000 2.368 274 S HA -0.163 4.308 4.470 0.001 0.000 0.225 274 S C 2.146 176.770 174.600 0.040 0.000 1.030 274 S CA 1.794 60.007 58.200 0.022 0.000 0.999 274 S CB -0.405 62.812 63.200 0.029 0.000 0.844 274 S HN 0.408 nan 8.310 nan 0.000 0.459 275 M N 1.285 120.913 119.600 0.046 0.000 2.086 275 M HA -0.022 4.458 4.480 0.001 0.000 0.261 275 M C 2.459 178.817 176.300 0.096 0.000 1.067 275 M CA 1.417 56.757 55.300 0.067 0.000 1.116 275 M CB -1.831 30.812 32.600 0.072 0.000 1.348 275 M HN 0.319 nan 8.290 nan 0.000 0.407 276 S N 0.184 115.929 115.700 0.076 0.000 2.383 276 S HA -0.183 4.287 4.470 0.001 0.000 0.229 276 S C 1.880 176.604 174.600 0.208 0.000 1.030 276 S CA 1.125 59.408 58.200 0.138 0.000 1.002 276 S CB -0.324 62.858 63.200 -0.029 0.000 0.829 276 S HN 0.467 nan 8.310 nan 0.000 0.467 277 Q N 1.169 121.032 119.800 0.105 0.000 2.046 277 Q HA -0.076 4.264 4.340 0.001 0.000 0.200 277 Q C 1.742 177.785 176.000 0.072 0.000 0.975 277 Q CA 1.223 57.075 55.803 0.081 0.000 0.836 277 Q CB -0.100 28.665 28.738 0.044 0.000 0.896 277 Q HN 0.498 nan 8.270 nan 0.000 0.428 278 K N 0.011 120.451 120.400 0.068 0.000 2.283 278 K HA -0.124 4.197 4.320 0.001 0.000 0.202 278 K C 1.952 178.584 176.600 0.053 0.000 1.048 278 K CA 0.874 57.192 56.287 0.051 0.000 0.948 278 K CB 0.069 32.596 32.500 0.046 0.000 0.742 278 K HN 0.274 nan 8.250 nan 0.000 0.458 279 Q N -0.603 119.255 119.800 0.097 0.000 2.451 279 Q HA 0.035 4.376 4.340 0.001 0.000 0.206 279 Q C 0.768 176.736 176.000 -0.054 0.000 0.947 279 Q CA 0.545 56.395 55.803 0.077 0.000 0.937 279 Q CB 0.698 29.577 28.738 0.235 0.000 1.025 279 Q HN 0.509 nan 8.270 nan 0.000 0.511 280 G N -0.233 108.553 108.800 -0.023 0.000 2.141 280 G HA2 -0.270 3.690 3.960 0.001 0.000 0.231 280 G HA3 -0.270 3.690 3.960 0.001 0.000 0.231 280 G C -0.457 174.357 174.900 -0.143 0.000 0.984 280 G CA -0.458 44.584 45.100 -0.096 0.000 0.660 280 G HN 0.269 nan 8.290 nan 0.000 0.525 281 Y N 0.534 120.835 120.300 0.002 0.000 2.346 281 Y HA 0.390 4.940 4.550 -0.001 0.000 0.330 281 Y C -0.150 175.745 175.900 -0.009 0.000 1.178 281 Y CA -1.117 56.982 58.100 -0.003 0.000 1.331 281 Y CB 0.845 39.305 38.460 -0.001 0.000 1.253 281 Y HN 0.023 nan 8.280 nan 0.000 0.529 282 P HA -0.024 nan 4.420 nan 0.000 0.231 282 P C 0.023 177.359 177.300 0.059 0.000 1.168 282 P CA 0.638 63.782 63.100 0.073 0.000 0.779 282 P CB 0.667 32.395 31.700 0.047 0.000 0.844 283 S N -1.044 114.701 115.700 0.075 0.000 2.599 283 S HA 0.464 4.935 4.470 0.001 0.000 0.287 283 S C -0.369 174.212 174.600 -0.031 0.000 1.105 283 S CA -0.536 57.668 58.200 0.006 0.000 0.899 283 S CB 1.597 64.784 63.200 -0.021 0.000 1.100 283 S HN -0.011 nan 8.310 nan 0.000 0.482 284 S N 1.020 116.669 115.700 -0.085 0.000 2.560 284 S HA 0.202 4.672 4.470 0.001 0.000 0.284 284 S C 1.312 175.778 174.600 -0.223 0.000 1.327 284 S CA -0.138 57.972 58.200 -0.150 0.000 1.055 284 S CB 0.231 63.325 63.200 -0.177 0.000 0.868 284 S HN 0.744 nan 8.310 nan 0.000 0.506 285 R N 1.421 121.747 120.500 -0.289 0.000 2.237 285 R HA 0.020 4.361 4.340 0.001 0.000 0.219 285 R C 0.276 176.453 176.300 -0.205 0.000 1.080 285 R CA 0.417 56.355 56.100 -0.270 0.000 0.995 285 R CB -0.225 29.931 30.300 -0.240 0.000 0.875 285 R HN 0.482 nan 8.270 nan 0.000 0.462 286 L N 2.477 123.464 121.223 -0.392 0.000 2.283 286 L HA 0.280 4.620 4.340 0.001 0.000 0.287 286 L C -2.431 174.181 176.870 -0.430 0.000 1.073 286 L CA -2.291 52.211 54.840 -0.563 0.000 0.822 286 L CB 0.835 42.373 42.059 -0.867 0.000 1.186 286 L HN -0.209 nan 8.230 nan 0.000 0.436 287 P HA 0.113 nan 4.420 nan 0.000 0.271 287 P C -0.813 176.235 177.300 -0.420 0.000 1.220 287 P CA -0.141 62.666 63.100 -0.487 0.000 0.768 287 P CB 0.473 31.670 31.700 -0.839 0.000 0.848 288 E N 1.728 121.769 120.200 -0.266 0.000 2.398 288 E HA 0.144 4.495 4.350 0.001 0.000 0.263 288 E C -0.448 176.130 176.600 -0.038 0.000 1.046 288 E CA -0.163 56.177 56.400 -0.100 0.000 0.908 288 E CB 0.210 29.889 29.700 -0.036 0.000 0.963 288 E HN 0.289 nan 8.360 nan 0.000 0.431 289 F N 1.633 121.681 119.950 0.162 0.000 2.410 289 F HA 0.086 4.613 4.527 0.000 0.000 0.348 289 F C 1.235 177.064 175.800 0.050 0.000 1.106 289 F CA -0.750 57.312 58.000 0.102 0.000 1.163 289 F CB 0.646 39.595 39.000 -0.084 0.000 1.129 289 F HN 0.310 nan 8.300 nan 0.000 0.516 290 T N -0.403 114.299 114.554 0.248 0.000 2.734 290 T HA 0.044 4.394 4.350 0.001 0.000 0.314 290 T C 1.192 175.948 174.700 0.092 0.000 1.057 290 T CA -0.665 61.512 62.100 0.130 0.000 1.047 290 T CB 0.760 69.687 68.868 0.098 0.000 0.991 290 T HN 0.537 nan 8.240 nan 0.000 0.540 291 E N 1.056 121.287 120.200 0.051 0.000 2.077 291 E HA -0.124 4.226 4.350 0.001 0.000 0.193 291 E C 2.104 178.704 176.600 -0.000 0.000 0.989 291 E CA 1.535 57.949 56.400 0.023 0.000 0.800 291 E CB -0.399 29.310 29.700 0.014 0.000 0.746 291 E HN 0.823 nan 8.360 nan 0.000 0.452 292 E N 1.076 121.278 120.200 0.003 0.000 2.077 292 E HA -0.161 4.189 4.350 0.001 0.000 0.193 292 E C 2.018 178.594 176.600 -0.039 0.000 0.989 292 E CA 1.147 57.536 56.400 -0.018 0.000 0.800 292 E CB -0.229 29.467 29.700 -0.008 0.000 0.746 292 E HN 0.374 nan 8.360 nan 0.000 0.452 293 E N 0.934 121.124 120.200 -0.017 0.000 2.051 293 E HA -0.149 4.201 4.350 0.001 0.000 0.192 293 E C 1.900 178.386 176.600 -0.191 0.000 0.991 293 E CA 1.047 57.406 56.400 -0.068 0.000 0.799 293 E CB -0.054 29.672 29.700 0.043 0.000 0.748 293 E HN 0.176 nan 8.360 nan 0.000 0.449 294 K N 0.687 120.999 120.400 -0.147 0.000 2.063 294 K HA -0.172 4.148 4.320 0.001 0.000 0.208 294 K C 2.074 178.577 176.600 -0.162 0.000 1.048 294 K CA 1.049 57.217 56.287 -0.198 0.000 0.928 294 K CB -0.034 32.414 32.500 -0.087 0.000 0.713 294 K HN -0.137 nan 8.250 nan 0.000 0.442 295 K N 0.896 121.233 120.400 -0.105 0.000 2.097 295 K HA -0.054 4.266 4.320 0.001 0.000 0.205 295 K C 1.896 178.444 176.600 -0.088 0.000 1.050 295 K CA 1.176 57.413 56.287 -0.083 0.000 0.938 295 K CB -0.181 32.283 32.500 -0.061 0.000 0.718 295 K HN 0.189 nan 8.250 nan 0.000 0.442 296 M N -0.507 119.025 119.600 -0.114 0.000 2.200 296 M HA -0.063 4.417 4.480 0.001 0.000 0.265 296 M C 1.552 177.862 176.300 0.017 0.000 1.066 296 M CA 1.573 56.814 55.300 -0.098 0.000 1.127 296 M CB 0.049 32.570 32.600 -0.131 0.000 1.379 296 M HN 0.044 nan 8.290 nan 0.000 0.420 297 I N 0.063 120.530 120.570 -0.172 0.000 2.584 297 I HA -0.091 4.079 4.170 0.001 0.000 0.255 297 I C 1.168 177.109 176.117 -0.294 0.000 1.145 297 I CA 0.311 61.447 61.300 -0.274 0.000 1.462 297 I CB -0.214 37.468 38.000 -0.529 0.000 1.102 297 I HN 0.191 nan 8.210 nan 0.000 0.433 298 K N 1.917 122.171 120.400 -0.244 0.000 2.484 298 K HA 0.063 4.383 4.320 0.001 0.000 0.280 298 K C 0.784 177.192 176.600 -0.320 0.000 1.013 298 K CA 0.914 57.063 56.287 -0.231 0.000 1.029 298 K CB 0.136 32.547 32.500 -0.148 0.000 0.902 298 K HN 0.367 nan 8.250 nan 0.000 0.481 299 G N 3.254 111.827 108.800 -0.378 0.000 2.246 299 G HA2 -0.241 3.719 3.960 0.001 0.000 0.273 299 G HA3 -0.241 3.719 3.960 0.001 0.000 0.273 299 G C 0.219 174.506 174.900 -1.021 0.000 1.055 299 G CA 0.598 45.396 45.100 -0.503 0.000 0.851 299 G HN 0.787 nan 8.290 nan 0.000 0.500 300 T N -3.399 110.484 114.554 -1.119 0.000 3.258 300 T HA 0.732 5.082 4.350 0.001 0.000 0.259 300 T C 0.383 174.329 174.700 -1.256 0.000 0.963 300 T CA 0.711 61.744 62.100 -1.778 0.000 0.919 300 T CB 1.055 69.282 68.868 -1.067 0.000 1.110 300 T HN 1.789 nan 8.240 nan 0.000 0.550 301 A N 0.351 122.583 122.820 -0.980 0.000 2.459 301 A HA 0.624 4.944 4.320 0.001 0.000 0.296 301 A C -0.087 177.356 177.584 -0.235 0.000 1.039 301 A CA -0.746 50.914 52.037 -0.629 0.000 0.698 301 A CB 1.254 19.436 19.000 -1.364 0.000 1.261 301 A HN 0.166 nan 8.150 nan 0.000 0.405 302 D N 0.737 121.164 120.400 0.046 0.000 2.354 302 D HA 0.267 4.908 4.640 0.001 0.000 0.209 302 D C -0.045 176.458 176.300 0.337 0.000 1.015 302 D CA 1.474 55.624 54.000 0.251 0.000 0.867 302 D CB 0.017 41.033 40.800 0.360 0.000 0.933 302 D HN 0.568 nan 8.370 nan 0.000 0.520 303 F N -2.436 117.565 119.950 0.085 0.000 2.773 303 F HA 0.444 4.972 4.527 0.001 0.000 0.314 303 F C -1.692 174.252 175.800 0.239 0.000 1.160 303 F CA -1.767 56.286 58.000 0.088 0.000 0.920 303 F CB 0.934 39.806 39.000 -0.214 0.000 1.323 303 F HN -0.288 nan 8.300 nan 0.000 0.457 304 F N 2.195 122.240 119.950 0.159 0.000 2.385 304 F HA 0.766 5.293 4.527 0.001 0.000 0.360 304 F C -0.159 175.669 175.800 0.047 0.000 1.122 304 F CA -0.634 57.355 58.000 -0.019 0.000 1.090 304 F CB 0.971 39.810 39.000 -0.269 0.000 1.150 304 F HN 0.838 nan 8.300 nan 0.000 0.472 305 A N 6.659 129.437 122.820 -0.069 0.000 2.249 305 A HA 0.655 4.975 4.320 0.001 0.000 0.314 305 A C -1.337 176.300 177.584 0.088 0.000 1.290 305 A CA -0.569 51.534 52.037 0.110 0.000 0.893 305 A CB 0.998 20.009 19.000 0.018 0.000 1.165 305 A HN 0.635 nan 8.150 nan 0.000 0.530 306 V N 2.855 122.916 119.914 0.245 0.000 2.914 306 V HA 0.613 4.733 4.120 0.001 0.000 0.314 306 V C -0.931 175.242 176.094 0.132 0.000 1.084 306 V CA -0.500 61.936 62.300 0.228 0.000 0.963 306 V CB 2.215 34.249 31.823 0.351 0.000 1.025 306 V HN 0.973 nan 8.190 nan 0.000 0.432 307 Q N 4.120 123.968 119.800 0.080 0.000 2.290 307 Q HA 0.446 4.786 4.340 0.001 0.000 0.269 307 Q C -2.013 173.922 176.000 -0.108 0.000 1.016 307 Q CA -0.353 55.451 55.803 0.001 0.000 0.754 307 Q CB 2.634 31.423 28.738 0.085 0.000 1.247 307 Q HN 0.751 nan 8.270 nan 0.000 0.451 308 Y N 1.755 121.866 120.300 -0.314 0.000 2.391 308 Y HA 0.347 4.898 4.550 0.001 0.000 0.341 308 Y C -1.050 174.565 175.900 -0.476 0.000 0.965 308 Y CA -0.354 57.550 58.100 -0.326 0.000 1.067 308 Y CB 0.995 39.347 38.460 -0.180 0.000 1.199 308 Y HN 0.666 nan 8.280 nan 0.000 0.450 309 Y N 1.868 121.550 120.300 -1.031 0.000 2.572 309 Y HA 0.318 4.868 4.550 0.001 0.000 0.274 309 Y C 0.817 176.085 175.900 -1.054 0.000 1.135 309 Y CA 0.428 58.040 58.100 -0.814 0.000 1.230 309 Y CB 1.272 39.528 38.460 -0.340 0.000 1.293 309 Y HN 0.614 nan 8.280 nan 0.000 0.501 310 T N -1.207 112.709 114.554 -1.064 0.000 2.711 310 T HA 0.565 4.915 4.350 0.001 0.000 0.302 310 T C -1.231 173.303 174.700 -0.277 0.000 1.373 310 T CA -0.374 61.436 62.100 -0.483 0.000 1.000 310 T CB 1.500 70.320 68.868 -0.079 0.000 1.483 310 T HN -0.123 nan 8.240 nan 0.000 0.499 311 T N 1.959 116.406 114.554 -0.179 0.000 2.906 311 T HA 0.824 5.175 4.350 0.001 0.000 0.295 311 T C -1.138 173.579 174.700 0.028 0.000 1.075 311 T CA -0.885 61.155 62.100 -0.100 0.000 1.005 311 T CB 1.484 70.154 68.868 -0.330 0.000 1.136 311 T HN 0.429 nan 8.240 nan 0.000 0.498 312 R N 0.828 121.400 120.500 0.121 0.000 2.799 312 R HA 0.576 4.917 4.340 0.001 0.000 0.270 312 R C -1.241 175.128 176.300 0.116 0.000 1.010 312 R CA -0.829 55.395 56.100 0.207 0.000 0.916 312 R CB 1.577 31.907 30.300 0.050 0.000 1.228 312 R HN 0.511 nan 8.270 nan 0.000 0.469 313 L N 1.945 123.135 121.223 -0.056 0.000 2.357 313 L HA 0.543 4.883 4.340 0.001 0.000 0.273 313 L C 0.058 176.631 176.870 -0.495 0.000 1.080 313 L CA -0.757 53.928 54.840 -0.259 0.000 0.803 313 L CB 0.829 42.672 42.059 -0.361 0.000 1.174 313 L HN 0.253 nan 8.230 nan 0.000 0.443 314 I N 2.472 122.834 120.570 -0.347 0.000 2.447 314 I HA 0.348 4.519 4.170 0.001 0.000 0.287 314 I C -0.333 175.686 176.117 -0.165 0.000 1.023 314 I CA -0.478 60.663 61.300 -0.265 0.000 1.083 314 I CB 1.845 39.768 38.000 -0.129 0.000 1.245 314 I HN 0.612 nan 8.210 nan 0.000 0.434 315 K N 5.380 125.716 120.400 -0.106 0.000 2.221 315 K HA 0.312 4.632 4.320 0.001 0.000 0.258 315 K C -0.781 175.880 176.600 0.102 0.000 0.944 315 K CA -0.617 55.716 56.287 0.078 0.000 0.823 315 K CB 1.744 34.384 32.500 0.233 0.000 1.113 315 K HN 0.394 nan 8.250 nan 0.000 0.431 316 Y N 2.792 123.097 120.300 0.008 0.000 2.702 316 Y HA -0.064 4.486 4.550 0.001 0.000 0.336 316 Y C -0.572 175.333 175.900 0.007 0.000 1.235 316 Y CA 0.817 58.918 58.100 0.001 0.000 1.492 316 Y CB 0.572 39.035 38.460 0.005 0.000 1.308 316 Y HN 0.575 nan 8.280 nan 0.000 0.589 317 Q N 5.674 125.097 119.800 -0.628 0.000 2.650 317 Q HA 0.160 4.500 4.340 0.001 0.000 0.239 317 Q C -1.294 174.271 176.000 -0.726 0.000 0.893 317 Q CA -0.534 54.918 55.803 -0.585 0.000 0.755 317 Q CB 0.848 29.435 28.738 -0.251 0.000 1.349 317 Q HN 0.860 nan 8.270 nan 0.000 0.461 318 E N 2.304 121.963 120.200 -0.903 0.000 2.480 318 E HA -0.070 4.280 4.350 0.001 0.000 0.258 318 E C -0.300 176.174 176.600 -0.211 0.000 0.984 318 E CA 0.086 56.202 56.400 -0.472 0.000 0.930 318 E CB 0.536 30.110 29.700 -0.209 0.000 0.936 318 E HN 0.392 nan 8.360 nan 0.000 0.466 319 N N 4.535 123.169 118.700 -0.111 0.000 3.124 319 N HA 0.016 4.757 4.740 0.001 0.000 0.284 319 N C 0.189 175.686 175.510 -0.022 0.000 1.209 319 N CA 0.076 53.092 53.050 -0.057 0.000 1.149 319 N CB 0.292 38.760 38.487 -0.030 0.000 1.434 319 N HN 0.414 nan 8.380 nan 0.000 0.529 320 K N 0.812 121.194 120.400 -0.030 0.000 2.097 320 K HA -0.095 4.225 4.320 0.001 0.000 0.206 320 K C 0.798 177.398 176.600 -0.000 0.000 1.049 320 K CA 1.166 57.448 56.287 -0.008 0.000 0.933 320 K CB 0.229 32.721 32.500 -0.014 0.000 0.717 320 K HN 0.307 nan 8.250 nan 0.000 0.442 321 K N -0.421 119.976 120.400 -0.005 0.000 2.404 321 K HA 0.067 4.387 4.320 0.001 0.000 0.194 321 K C 0.601 177.209 176.600 0.013 0.000 1.023 321 K CA 0.420 56.708 56.287 0.002 0.000 1.094 321 K CB 0.712 33.210 32.500 -0.003 0.000 0.841 321 K HN 0.310 nan 8.250 nan 0.000 0.523 322 G N 2.134 110.946 108.800 0.019 0.000 2.246 322 G HA2 -0.308 3.653 3.960 0.001 0.000 0.273 322 G HA3 -0.308 3.653 3.960 0.001 0.000 0.273 322 G C -0.568 174.361 174.900 0.049 0.000 1.055 322 G CA -0.016 45.106 45.100 0.038 0.000 0.851 322 G HN 0.380 nan 8.290 nan 0.000 0.500 323 E N -1.166 119.055 120.200 0.036 0.000 2.437 323 E HA 0.252 4.602 4.350 0.001 0.000 0.263 323 E C 0.347 176.993 176.600 0.077 0.000 1.030 323 E CA -0.345 56.085 56.400 0.050 0.000 0.934 323 E CB 0.782 30.501 29.700 0.032 0.000 0.943 323 E HN 0.239 nan 8.360 nan 0.000 0.444 324 L N 2.134 123.423 121.223 0.111 0.000 2.257 324 L HA 0.538 4.878 4.340 0.001 0.000 0.290 324 L C 0.031 176.994 176.870 0.155 0.000 1.044 324 L CA 0.666 55.594 54.840 0.147 0.000 0.810 324 L CB 0.670 42.839 42.059 0.183 0.000 1.193 324 L HN 0.601 nan 8.230 nan 0.000 0.425 325 G N 4.095 112.947 108.800 0.086 0.000 2.328 325 G HA2 0.131 4.092 3.960 0.001 0.000 0.299 325 G HA3 0.131 4.092 3.960 0.001 0.000 0.299 325 G C 0.244 175.119 174.900 -0.042 0.000 1.435 325 G CA -0.372 44.719 45.100 -0.014 0.000 0.865 325 G HN 0.502 nan 8.290 nan 0.000 0.601 326 I N 0.282 120.775 120.570 -0.128 0.000 2.286 326 I HA -0.049 4.121 4.170 0.001 0.000 0.245 326 I C 2.709 178.750 176.117 -0.127 0.000 1.104 326 I CA 0.892 62.155 61.300 -0.062 0.000 1.397 326 I CB -0.249 37.685 38.000 -0.110 0.000 1.072 326 I HN 0.378 nan 8.210 nan 0.000 0.417 327 L N 0.089 121.231 121.223 -0.136 0.000 2.083 327 L HA -0.239 4.101 4.340 0.001 0.000 0.209 327 L C 2.573 179.357 176.870 -0.143 0.000 1.083 327 L CA 1.398 56.162 54.840 -0.128 0.000 0.752 327 L CB -0.524 41.493 42.059 -0.070 0.000 0.899 327 L HN 0.249 nan 8.230 nan 0.000 0.433 328 Q N -0.503 119.237 119.800 -0.100 0.000 2.172 328 Q HA -0.146 4.194 4.340 0.001 0.000 0.200 328 Q C 1.829 177.788 176.000 -0.069 0.000 0.964 328 Q CA 1.063 56.823 55.803 -0.072 0.000 0.855 328 Q CB -0.120 28.604 28.738 -0.023 0.000 0.918 328 Q HN 0.355 nan 8.270 nan 0.000 0.444 329 D N 0.095 120.458 120.400 -0.063 0.000 2.117 329 D HA -0.089 4.552 4.640 0.001 0.000 0.198 329 D C 1.539 177.711 176.300 -0.213 0.000 0.982 329 D CA 1.444 55.430 54.000 -0.024 0.000 0.828 329 D CB -0.144 40.751 40.800 0.160 0.000 0.967 329 D HN 0.288 nan 8.370 nan 0.000 0.464 330 A N 0.291 122.752 122.820 -0.599 0.000 2.119 330 A HA -0.073 4.247 4.320 0.001 0.000 0.216 330 A C 0.517 177.937 177.584 -0.274 0.000 1.152 330 A CA 0.517 52.032 52.037 -0.868 0.000 0.708 330 A CB -0.305 18.031 19.000 -1.106 0.000 0.805 330 A HN 0.271 nan 8.150 nan 0.000 0.460 331 E N -1.348 118.750 120.200 -0.169 0.000 2.246 331 E HA -0.211 4.140 4.350 0.001 0.000 0.211 331 E C -0.587 175.969 176.600 -0.074 0.000 1.278 331 E CA 0.673 57.017 56.400 -0.093 0.000 0.694 331 E CB -1.900 27.817 29.700 0.030 0.000 1.166 331 E HN 0.857 nan 8.360 nan 0.000 0.370 332 I N -2.390 118.122 120.570 -0.096 0.000 2.865 332 I HA 0.567 4.737 4.170 0.001 0.000 0.302 332 I C -0.416 175.673 176.117 -0.047 0.000 1.140 332 I CA -0.898 60.374 61.300 -0.046 0.000 1.021 332 I CB 1.983 39.968 38.000 -0.025 0.000 1.233 332 I HN 0.090 nan 8.210 nan 0.000 0.427 333 E N 3.701 123.885 120.200 -0.026 0.000 2.256 333 E HA 0.684 5.034 4.350 0.001 0.000 0.267 333 E C -1.580 174.990 176.600 -0.050 0.000 0.892 333 E CA -0.740 55.635 56.400 -0.043 0.000 0.775 333 E CB 2.230 31.934 29.700 0.008 0.000 1.207 333 E HN 0.635 nan 8.360 nan 0.000 0.420 334 F N 0.985 120.877 119.950 -0.097 0.000 2.538 334 F HA 0.868 5.395 4.527 -0.000 0.000 0.325 334 F C -1.134 174.606 175.800 -0.101 0.000 1.066 334 F CA -1.242 56.602 58.000 -0.261 0.000 0.946 334 F CB 1.136 40.025 39.000 -0.185 0.000 1.199 334 F HN 0.514 nan 8.300 nan 0.000 0.473 335 F N -0.995 119.031 119.950 0.126 0.000 2.746 335 F HA 0.725 5.252 4.527 0.000 0.000 0.311 335 F C -3.355 172.407 175.800 -0.062 0.000 1.135 335 F CA -2.592 55.405 58.000 -0.005 0.000 0.954 335 F CB 0.692 39.624 39.000 -0.114 0.000 1.276 335 F HN 0.377 nan 8.300 nan 0.000 0.440 336 P HA 0.118 nan 4.420 nan 0.000 0.278 336 P C -0.984 176.039 177.300 -0.462 0.000 1.258 336 P CA -0.071 62.837 63.100 -0.321 0.000 0.811 336 P CB 1.123 32.276 31.700 -0.911 0.000 1.063 337 D N 1.723 121.363 120.400 -1.266 0.000 2.383 337 D HA 0.033 4.673 4.640 0.001 0.000 0.252 337 D C -1.149 174.796 176.300 -0.590 0.000 1.166 337 D CA -1.689 51.679 54.000 -1.053 0.000 0.879 337 D CB 0.745 40.479 40.800 -1.778 0.000 1.164 337 D HN 0.167 nan 8.370 nan 0.000 0.462 338 P HA -0.144 nan 4.420 nan 0.000 0.223 338 P C 1.150 178.443 177.300 -0.011 0.000 1.144 338 P CA 0.773 63.821 63.100 -0.086 0.000 0.783 338 P CB 0.102 31.763 31.700 -0.065 0.000 0.771 339 S N -3.181 112.477 115.700 -0.070 0.000 2.489 339 S HA -0.054 4.416 4.470 0.001 0.000 0.228 339 S C 0.694 175.440 174.600 0.242 0.000 0.995 339 S CA -0.306 57.933 58.200 0.065 0.000 0.934 339 S CB -0.884 62.353 63.200 0.063 0.000 0.771 339 S HN -0.001 nan 8.310 nan 0.000 0.522 340 W N 3.468 124.872 121.300 0.173 0.000 2.190 340 W HA 0.437 5.097 4.660 0.000 0.000 0.330 340 W C 0.542 177.188 176.519 0.212 0.000 1.299 340 W CA -1.828 55.641 57.345 0.206 0.000 1.215 340 W CB 0.146 29.765 29.460 0.266 0.000 1.147 340 W HN 0.148 nan 8.180 nan 0.000 0.563 341 K N 3.386 123.974 120.400 0.314 0.000 2.202 341 K HA 0.166 4.486 4.320 0.001 0.000 0.264 341 K C 0.423 176.983 176.600 -0.067 0.000 1.010 341 K CA -0.402 55.945 56.287 0.100 0.000 0.940 341 K CB 0.611 33.121 32.500 0.017 0.000 0.983 341 K HN 0.421 nan 8.250 nan 0.000 0.475 342 N N -0.447 118.096 118.700 -0.262 0.000 2.277 342 N HA 0.280 5.021 4.740 0.001 0.000 0.286 342 N C -1.542 173.746 175.510 -0.369 0.000 1.140 342 N CA -0.748 51.971 53.050 -0.553 0.000 0.799 342 N CB 1.684 39.366 38.487 -1.341 0.000 1.596 342 N HN 0.152 nan 8.380 nan 0.000 0.473 343 V N 1.225 120.919 119.914 -0.367 0.000 2.380 343 V HA 0.304 4.424 4.120 0.001 0.000 0.286 343 V C 0.085 175.977 176.094 -0.337 0.000 1.015 343 V CA -0.275 61.862 62.300 -0.272 0.000 0.834 343 V CB -0.091 31.616 31.823 -0.194 0.000 1.009 343 V HN 1.001 nan 8.190 nan 0.000 0.428 344 D N 2.659 122.911 120.400 -0.246 0.000 3.396 344 D HA -0.244 4.397 4.640 0.001 0.000 0.196 344 D C 1.019 177.236 176.300 -0.138 0.000 1.347 344 D CA 2.033 55.935 54.000 -0.163 0.000 1.106 344 D CB -0.528 40.148 40.800 -0.206 0.000 0.619 344 D HN 0.684 nan 8.370 nan 0.000 0.728 345 W N 0.190 121.476 121.300 -0.023 0.000 2.825 345 W HA 0.214 4.875 4.660 0.002 0.000 0.243 345 W C 0.292 176.861 176.519 0.082 0.000 1.293 345 W CA -0.140 57.250 57.345 0.076 0.000 1.403 345 W CB -0.734 28.769 29.460 0.072 0.000 1.134 345 W HN 0.085 nan 8.180 nan 0.000 0.666 346 I N 2.087 122.309 120.570 -0.581 0.000 2.243 346 I HA 0.090 4.261 4.170 0.001 0.000 0.297 346 I C -0.396 175.542 176.117 -0.298 0.000 1.161 346 I CA -0.749 60.239 61.300 -0.521 0.000 1.298 346 I CB -0.939 36.631 38.000 -0.718 0.000 1.475 346 I HN -0.195 nan 8.210 nan 0.000 0.561 347 Y N 4.271 124.501 120.300 -0.117 0.000 2.402 347 Y HA 0.204 4.754 4.550 0.000 0.000 0.333 347 Y C 0.635 176.371 175.900 -0.273 0.000 1.076 347 Y CA -0.407 57.638 58.100 -0.091 0.000 1.299 347 Y CB 0.650 39.191 38.460 0.135 0.000 1.197 347 Y HN 0.156 nan 8.280 nan 0.000 0.517 348 V N 5.789 125.568 119.914 -0.224 0.000 2.381 348 V HA 0.092 4.213 4.120 0.001 0.000 0.257 348 V C -0.216 175.629 176.094 -0.415 0.000 1.057 348 V CA -0.249 61.845 62.300 -0.343 0.000 1.013 348 V CB -0.222 31.196 31.823 -0.676 0.000 1.069 348 V HN 0.532 nan 8.190 nan 0.000 0.484 349 V N 7.532 127.156 119.914 -0.483 0.000 2.467 349 V HA 0.225 4.345 4.120 0.001 0.000 0.260 349 V C -1.785 173.945 176.094 -0.606 0.000 0.963 349 V CA -0.843 60.970 62.300 -0.812 0.000 0.856 349 V CB 1.330 32.349 31.823 -1.340 0.000 1.087 349 V HN 0.619 nan 8.190 nan 0.000 0.467 350 P HA -0.103 nan 4.420 nan 0.000 0.217 350 P C 1.716 178.902 177.300 -0.190 0.000 1.150 350 P CA 1.227 64.234 63.100 -0.155 0.000 0.832 350 P CB 0.078 31.753 31.700 -0.042 0.000 0.787 351 W N -0.407 120.840 121.300 -0.088 0.000 2.468 351 W HA 0.061 4.722 4.660 0.001 0.000 0.262 351 W C 1.512 177.883 176.519 -0.247 0.000 1.241 351 W CA 0.571 57.836 57.345 -0.132 0.000 1.232 351 W CB -2.177 27.241 29.460 -0.070 0.000 1.124 351 W HN -0.104 nan 8.180 nan 0.000 0.597 352 G N 1.995 110.431 108.800 -0.606 0.000 2.469 352 G HA2 -0.328 3.632 3.960 0.001 0.000 0.219 352 G HA3 -0.328 3.632 3.960 0.001 0.000 0.219 352 G C 1.567 175.983 174.900 -0.807 0.000 1.150 352 G CA 1.855 46.629 45.100 -0.543 0.000 0.763 352 G HN 0.261 nan 8.290 nan 0.000 0.561 353 V N -0.167 119.141 119.914 -1.010 0.000 2.548 353 V HA -0.121 3.999 4.120 0.001 0.000 0.249 353 V C 2.795 178.586 176.094 -0.505 0.000 1.055 353 V CA 1.957 63.645 62.300 -1.020 0.000 1.065 353 V CB -0.375 30.977 31.823 -0.785 0.000 0.681 353 V HN 0.527 nan 8.190 nan 0.000 0.462 354 C N 0.227 119.322 119.300 -0.341 0.000 2.453 354 C HA -0.099 4.362 4.460 0.001 0.000 0.277 354 C C 2.823 177.614 174.990 -0.333 0.000 1.262 354 C CA 1.257 60.139 59.018 -0.228 0.000 1.718 354 C CB -1.047 26.631 27.740 -0.103 0.000 2.031 354 C HN 0.524 nan 8.230 nan 0.000 0.480 355 K N 0.471 120.566 120.400 -0.508 0.000 2.032 355 K HA -0.165 4.155 4.320 0.001 0.000 0.209 355 K C 1.857 177.834 176.600 -1.039 0.000 1.048 355 K CA 1.356 57.132 56.287 -0.852 0.000 0.927 355 K CB -1.001 30.661 32.500 -1.396 0.000 0.712 355 K HN 0.543 nan 8.250 nan 0.000 0.441 356 L N 1.601 122.241 121.223 -0.972 0.000 1.989 356 L HA -0.159 4.181 4.340 0.001 0.000 0.211 356 L C 2.183 178.947 176.870 -0.175 0.000 1.071 356 L CA 1.495 56.101 54.840 -0.390 0.000 0.749 356 L CB -0.563 41.390 42.059 -0.176 0.000 0.890 356 L HN 0.079 nan 8.230 nan 0.000 0.431 357 L N -0.549 120.543 121.223 -0.219 0.000 2.083 357 L HA -0.218 4.123 4.340 0.001 0.000 0.209 357 L C 2.627 179.422 176.870 -0.125 0.000 1.083 357 L CA 1.470 56.225 54.840 -0.142 0.000 0.752 357 L CB -0.658 41.336 42.059 -0.109 0.000 0.899 357 L HN 0.284 nan 8.230 nan 0.000 0.433 358 K N -0.015 120.299 120.400 -0.143 0.000 2.057 358 K HA -0.261 4.059 4.320 0.001 0.000 0.207 358 K C 2.118 178.689 176.600 -0.048 0.000 1.049 358 K CA 1.653 57.879 56.287 -0.101 0.000 0.931 358 K CB -0.697 31.738 32.500 -0.108 0.000 0.714 358 K HN 0.230 nan 8.250 nan 0.000 0.440 359 Y N 0.549 120.773 120.300 -0.127 0.000 2.165 359 Y HA -0.151 4.400 4.550 0.000 0.000 0.286 359 Y C 1.703 177.572 175.900 -0.051 0.000 1.155 359 Y CA 1.988 60.083 58.100 -0.008 0.000 1.164 359 Y CB -0.083 38.487 38.460 0.184 0.000 0.978 359 Y HN 0.055 nan 8.280 nan 0.000 0.513 360 I N 0.196 120.731 120.570 -0.059 0.000 2.202 360 I HA -0.292 3.878 4.170 0.001 0.000 0.242 360 I C 2.567 178.541 176.117 -0.238 0.000 1.091 360 I CA 1.649 62.797 61.300 -0.254 0.000 1.368 360 I CB -0.494 37.168 38.000 -0.563 0.000 1.058 360 I HN 0.127 nan 8.210 nan 0.000 0.410 361 K N 1.059 121.350 120.400 -0.182 0.000 2.044 361 K HA -0.256 4.064 4.320 0.001 0.000 0.210 361 K C 1.594 178.102 176.600 -0.154 0.000 1.049 361 K CA 2.253 58.459 56.287 -0.135 0.000 0.927 361 K CB -0.080 32.361 32.500 -0.099 0.000 0.713 361 K HN 0.227 nan 8.250 nan 0.000 0.443 362 D N -0.507 119.777 120.400 -0.194 0.000 2.183 362 D HA -0.070 4.571 4.640 0.001 0.000 0.203 362 D C 1.655 177.762 176.300 -0.321 0.000 0.969 362 D CA 1.304 55.176 54.000 -0.213 0.000 0.842 362 D CB -0.081 40.609 40.800 -0.183 0.000 0.957 362 D HN 0.306 nan 8.370 nan 0.000 0.484 363 T N -0.935 113.315 114.554 -0.507 0.000 3.031 363 T HA -0.020 4.331 4.350 0.001 0.000 0.254 363 T C 0.702 174.867 174.700 -0.892 0.000 1.060 363 T CA 0.413 62.049 62.100 -0.773 0.000 1.135 363 T CB 0.012 68.191 68.868 -1.148 0.000 0.896 363 T HN 0.140 nan 8.240 nan 0.000 0.472 364 Y N 1.576 121.728 120.300 -0.246 0.000 2.751 364 Y HA 0.416 4.967 4.550 0.001 0.000 0.289 364 Y C 0.694 176.545 175.900 -0.082 0.000 1.110 364 Y CA -1.471 56.533 58.100 -0.158 0.000 1.251 364 Y CB -0.526 37.771 38.460 -0.273 0.000 1.178 364 Y HN 0.056 nan 8.280 nan 0.000 0.540 365 N N 2.420 121.095 118.700 -0.042 0.000 2.714 365 N HA -0.301 4.440 4.740 0.001 0.000 0.253 365 N C -0.491 175.030 175.510 0.018 0.000 1.024 365 N CA 1.110 54.156 53.050 -0.008 0.000 0.726 365 N CB -1.387 37.117 38.487 0.028 0.000 0.908 365 N HN 0.508 nan 8.380 nan 0.000 0.542 366 N N -2.132 116.560 118.700 -0.014 0.000 2.671 366 N HA -0.131 4.610 4.740 0.001 0.000 0.261 366 N C -2.477 173.057 175.510 0.041 0.000 1.053 366 N CA 1.008 54.056 53.050 -0.004 0.000 0.732 366 N CB -0.113 38.371 38.487 -0.005 0.000 0.887 366 N HN 0.562 nan 8.380 nan 0.000 0.546 367 P HA 0.207 nan 4.420 nan 0.000 0.278 367 P C -0.175 177.204 177.300 0.132 0.000 1.266 367 P CA -0.610 62.568 63.100 0.129 0.000 0.807 367 P CB 0.702 32.507 31.700 0.175 0.000 1.094 368 V N 1.904 121.927 119.914 0.182 0.000 2.540 368 V HA -0.006 4.114 4.120 0.001 0.000 0.297 368 V C 0.789 177.042 176.094 0.265 0.000 1.024 368 V CA 0.649 63.068 62.300 0.199 0.000 1.105 368 V CB -0.731 31.205 31.823 0.188 0.000 0.938 368 V HN 0.282 nan 8.190 nan 0.000 0.482 369 I N 5.577 126.304 120.570 0.261 0.000 2.406 369 I HA 0.405 4.576 4.170 0.001 0.000 0.290 369 I C -1.040 175.349 176.117 0.454 0.000 0.999 369 I CA -0.711 60.779 61.300 0.317 0.000 1.124 369 I CB 1.600 39.705 38.000 0.175 0.000 1.289 369 I HN 0.408 nan 8.210 nan 0.000 0.441 370 Y N 5.995 126.424 120.300 0.214 0.000 2.331 370 Y HA 0.461 5.012 4.550 0.000 0.000 0.338 370 Y C 0.201 176.179 175.900 0.129 0.000 0.976 370 Y CA -1.493 56.666 58.100 0.098 0.000 1.137 370 Y CB 1.388 39.913 38.460 0.107 0.000 1.172 370 Y HN 0.376 nan 8.280 nan 0.000 0.478 371 I N 3.757 124.446 120.570 0.199 0.000 2.347 371 I HA 0.039 4.209 4.170 0.001 0.000 0.294 371 I C 1.153 177.302 176.117 0.054 0.000 1.090 371 I CA 0.167 61.550 61.300 0.138 0.000 1.314 371 I CB 0.719 38.812 38.000 0.156 0.000 1.423 371 I HN 0.711 nan 8.210 nan 0.000 0.503 372 T N 1.192 115.806 114.554 0.100 0.000 3.065 372 T HA 0.237 4.588 4.350 0.001 0.000 0.252 372 T C 0.556 175.307 174.700 0.085 0.000 1.099 372 T CA 0.137 62.297 62.100 0.100 0.000 1.063 372 T CB 0.087 69.053 68.868 0.162 0.000 0.948 372 T HN 0.512 nan 8.240 nan 0.000 0.506 373 E N 1.064 121.271 120.200 0.011 0.000 2.308 373 E HA 0.493 4.843 4.350 0.001 0.000 0.275 373 E C -1.391 175.042 176.600 -0.278 0.000 0.890 373 E CA -0.816 55.563 56.400 -0.035 0.000 0.754 373 E CB 1.876 31.554 29.700 -0.037 0.000 1.207 373 E HN 0.282 nan 8.360 nan 0.000 0.426 374 N N 1.744 120.285 118.700 -0.265 0.000 2.555 374 N HA 0.537 5.277 4.740 0.001 0.000 0.265 374 N C -1.252 174.215 175.510 -0.071 0.000 1.135 374 N CA -0.177 52.656 53.050 -0.362 0.000 0.925 374 N CB 2.177 40.669 38.487 0.008 0.000 1.662 374 N HN 0.671 nan 8.380 nan 0.000 0.489 375 G N 0.836 109.460 108.800 -0.294 0.000 2.325 375 G HA2 0.480 4.441 3.960 0.001 0.000 0.295 375 G HA3 0.480 4.441 3.960 0.001 0.000 0.295 375 G C -2.337 172.134 174.900 -0.715 0.000 1.274 375 G CA -0.671 44.317 45.100 -0.187 0.000 0.857 375 G HN 0.330 nan 8.290 nan 0.000 0.499 376 F N 0.884 120.899 119.950 0.109 0.000 2.588 376 F HA 0.574 5.101 4.527 0.001 0.000 0.318 376 F C -2.304 173.265 175.800 -0.384 0.000 1.155 376 F CA -1.505 56.388 58.000 -0.179 0.000 0.967 376 F CB 2.966 41.817 39.000 -0.247 0.000 1.236 376 F HN 0.300 nan 8.300 nan 0.000 0.455 377 P HA 0.304 nan 4.420 nan 0.000 0.282 377 P C -1.489 175.588 177.300 -0.373 0.000 1.259 377 P CA -0.543 62.007 63.100 -0.917 0.000 0.826 377 P CB 1.601 32.511 31.700 -1.316 0.000 1.064 378 Q N 0.153 119.795 119.800 -0.263 0.000 2.345 378 Q HA 0.400 4.740 4.340 0.001 0.000 0.268 378 Q C -0.270 175.677 176.000 -0.089 0.000 1.054 378 Q CA -0.808 54.915 55.803 -0.134 0.000 0.835 378 Q CB 1.984 30.667 28.738 -0.092 0.000 1.339 378 Q HN 0.379 nan 8.270 nan 0.000 0.447 379 S N 1.260 116.926 115.700 -0.056 0.000 2.576 379 S HA 0.013 4.484 4.470 0.001 0.000 0.276 379 S C -0.508 174.110 174.600 0.030 0.000 1.339 379 S CA -0.172 58.008 58.200 -0.033 0.000 1.039 379 S CB 0.400 63.584 63.200 -0.026 0.000 0.902 379 S HN 0.489 nan 8.310 nan 0.000 0.516 380 D N 2.735 123.157 120.400 0.037 0.000 2.277 380 D HA 0.379 5.019 4.640 0.001 0.000 0.249 380 D C -1.962 174.398 176.300 0.100 0.000 1.134 380 D CA -1.311 52.752 54.000 0.106 0.000 0.863 380 D CB 0.556 41.429 40.800 0.121 0.000 1.143 380 D HN 0.177 nan 8.370 nan 0.000 0.458 381 P HA 0.411 nan 4.420 nan 0.000 0.284 381 P C -1.510 175.879 177.300 0.149 0.000 1.253 381 P CA -0.767 62.426 63.100 0.156 0.000 0.800 381 P CB 1.562 33.342 31.700 0.133 0.000 0.961 382 A N 4.122 127.073 122.820 0.218 0.000 2.330 382 A HA 0.661 4.981 4.320 0.001 0.000 0.327 382 A C -2.330 175.397 177.584 0.239 0.000 1.155 382 A CA -1.548 50.627 52.037 0.229 0.000 0.803 382 A CB 0.350 19.538 19.000 0.314 0.000 1.208 382 A HN 0.461 nan 8.150 nan 0.000 0.477 383 P HA 0.177 nan 4.420 nan 0.000 0.271 383 P C 0.610 178.052 177.300 0.237 0.000 1.216 383 P CA -0.240 62.939 63.100 0.131 0.000 0.771 383 P CB 0.852 32.599 31.700 0.079 0.000 0.864 384 L N 0.805 122.088 121.223 0.100 0.000 2.093 384 L HA -0.072 4.268 4.340 0.001 0.000 0.208 384 L C 1.215 178.168 176.870 0.138 0.000 1.085 384 L CA 1.283 56.162 54.840 0.065 0.000 0.755 384 L CB -0.488 41.474 42.059 -0.162 0.000 0.904 384 L HN 0.381 nan 8.230 nan 0.000 0.435 385 D N 1.271 121.710 120.400 0.065 0.000 2.619 385 D HA -0.014 4.627 4.640 0.001 0.000 0.224 385 D C -0.139 176.197 176.300 0.060 0.000 1.133 385 D CA -0.277 53.746 54.000 0.039 0.000 1.017 385 D CB -0.042 40.759 40.800 0.001 0.000 1.077 385 D HN 0.206 nan 8.370 nan 0.000 0.503 386 D N 1.183 121.644 120.400 0.102 0.000 2.801 386 D HA -0.066 4.574 4.640 0.001 0.000 0.232 386 D C 1.186 177.518 176.300 0.055 0.000 1.128 386 D CA -0.178 53.861 54.000 0.065 0.000 1.003 386 D CB -0.136 40.684 40.800 0.034 0.000 1.110 386 D HN 0.238 nan 8.370 nan 0.000 0.477 387 T N -1.998 112.573 114.554 0.029 0.000 2.788 387 T HA -0.309 4.042 4.350 0.001 0.000 0.268 387 T C 1.717 176.385 174.700 -0.053 0.000 1.044 387 T CA 1.163 63.285 62.100 0.037 0.000 1.139 387 T CB -0.120 68.755 68.868 0.012 0.000 0.867 387 T HN 0.205 nan 8.240 nan 0.000 0.454 388 Q N 1.734 121.441 119.800 -0.154 0.000 2.046 388 Q HA 0.010 4.350 4.340 0.001 0.000 0.200 388 Q C 2.462 178.039 176.000 -0.705 0.000 0.975 388 Q CA 1.739 57.311 55.803 -0.386 0.000 0.836 388 Q CB -0.485 28.067 28.738 -0.311 0.000 0.896 388 Q HN 0.647 nan 8.270 nan 0.000 0.428 389 R N -0.843 119.418 120.500 -0.399 0.000 2.091 389 R HA -0.173 4.167 4.340 0.001 0.000 0.238 389 R C 2.209 178.409 176.300 -0.167 0.000 1.136 389 R CA 1.652 57.563 56.100 -0.317 0.000 0.959 389 R CB -0.823 29.477 30.300 -0.001 0.000 0.856 389 R HN 0.606 nan 8.270 nan 0.000 0.437 390 W N 1.707 122.950 121.300 -0.095 0.000 2.350 390 W HA -0.227 4.434 4.660 0.000 0.000 0.289 390 W C 1.475 177.965 176.519 -0.048 0.000 1.215 390 W CA 1.708 59.084 57.345 0.053 0.000 1.236 390 W CB -0.041 29.429 29.460 0.016 0.000 1.130 390 W HN 0.213 nan 8.180 nan 0.000 0.541 391 E N 0.338 120.311 120.200 -0.379 0.000 2.118 391 E HA -0.253 4.098 4.350 0.001 0.000 0.195 391 E C 1.805 178.109 176.600 -0.494 0.000 0.992 391 E CA 1.917 58.049 56.400 -0.448 0.000 0.804 391 E CB -1.113 28.361 29.700 -0.377 0.000 0.741 391 E HN 0.303 nan 8.360 nan 0.000 0.458 392 Y N -0.789 119.150 120.300 -0.601 0.000 2.242 392 Y HA -0.058 4.492 4.550 0.001 0.000 0.291 392 Y C 2.044 177.436 175.900 -0.847 0.000 1.137 392 Y CA 0.731 58.291 58.100 -0.901 0.000 1.181 392 Y CB -0.920 36.505 38.460 -1.725 0.000 0.989 392 Y HN 0.061 nan 8.280 nan 0.000 0.527 393 F N 0.825 120.365 119.950 -0.683 0.000 2.075 393 F HA -0.226 4.301 4.527 0.000 0.000 0.297 393 F C 2.492 177.595 175.800 -1.161 0.000 1.113 393 F CA 1.964 59.462 58.000 -0.838 0.000 1.218 393 F CB -0.597 37.813 39.000 -0.983 0.000 0.984 393 F HN 0.023 nan 8.300 nan 0.000 0.472 394 R N 0.163 120.149 120.500 -0.857 0.000 2.096 394 R HA -0.164 4.177 4.340 0.001 0.000 0.235 394 R C 1.872 178.052 176.300 -0.199 0.000 1.127 394 R CA 1.602 57.444 56.100 -0.430 0.000 0.968 394 R CB -1.048 29.054 30.300 -0.330 0.000 0.861 394 R HN 0.328 nan 8.270 nan 0.000 0.440 395 Q N 0.632 120.302 119.800 -0.216 0.000 2.084 395 Q HA -0.108 4.232 4.340 0.001 0.000 0.202 395 Q C 1.978 177.947 176.000 -0.052 0.000 0.978 395 Q CA 2.203 57.955 55.803 -0.085 0.000 0.844 395 Q CB -0.144 28.556 28.738 -0.064 0.000 0.898 395 Q HN 0.450 nan 8.270 nan 0.000 0.426 396 T N 0.774 115.242 114.554 -0.143 0.000 2.708 396 T HA -0.132 4.218 4.350 0.001 0.000 0.266 396 T C 1.363 176.081 174.700 0.029 0.000 1.037 396 T CA 1.171 63.223 62.100 -0.081 0.000 1.146 396 T CB -0.295 68.514 68.868 -0.098 0.000 0.865 396 T HN 0.156 nan 8.240 nan 0.000 0.435 397 F N 1.958 121.965 119.950 0.095 0.000 2.216 397 F HA -0.047 4.480 4.527 0.000 0.000 0.300 397 F C 2.574 178.542 175.800 0.280 0.000 1.085 397 F CA 0.426 58.538 58.000 0.187 0.000 1.326 397 F CB -1.112 37.965 39.000 0.128 0.000 1.027 397 F HN 0.252 nan 8.300 nan 0.000 0.497 398 Q N -0.149 119.842 119.800 0.319 0.000 2.119 398 Q HA -0.162 4.178 4.340 0.001 0.000 0.201 398 Q C 2.026 178.162 176.000 0.227 0.000 0.972 398 Q CA 1.247 57.191 55.803 0.236 0.000 0.847 398 Q CB -0.183 28.633 28.738 0.129 0.000 0.903 398 Q HN 0.362 nan 8.270 nan 0.000 0.433 399 E N 0.670 120.975 120.200 0.175 0.000 2.107 399 E HA -0.083 4.267 4.350 0.001 0.000 0.191 399 E C 2.120 178.788 176.600 0.114 0.000 0.982 399 E CA 0.607 57.076 56.400 0.115 0.000 0.809 399 E CB -0.033 29.701 29.700 0.057 0.000 0.756 399 E HN 0.389 nan 8.360 nan 0.000 0.459 400 L N -0.032 121.320 121.223 0.214 0.000 2.017 400 L HA -0.163 4.178 4.340 0.001 0.000 0.208 400 L C 2.505 179.423 176.870 0.080 0.000 1.073 400 L CA 1.215 56.200 54.840 0.242 0.000 0.745 400 L CB -0.546 41.810 42.059 0.495 0.000 0.894 400 L HN 0.064 nan 8.230 nan 0.000 0.432 401 F N 1.126 121.010 119.950 -0.110 0.000 2.134 401 F HA -0.260 4.267 4.527 0.000 0.000 0.299 401 F C 2.676 178.333 175.800 -0.239 0.000 1.097 401 F CA 1.821 59.550 58.000 -0.453 0.000 1.264 401 F CB -0.174 38.598 39.000 -0.379 0.000 1.001 401 F HN -0.103 nan 8.300 nan 0.000 0.479 402 K N 0.386 120.780 120.400 -0.010 0.000 2.032 402 K HA -0.209 4.112 4.320 0.001 0.000 0.209 402 K C 2.249 178.750 176.600 -0.165 0.000 1.048 402 K CA 1.380 57.620 56.287 -0.078 0.000 0.927 402 K CB -0.534 31.985 32.500 0.032 0.000 0.712 402 K HN 0.340 nan 8.250 nan 0.000 0.441 403 A N 1.249 123.997 122.820 -0.121 0.000 1.908 403 A HA -0.153 4.167 4.320 0.001 0.000 0.218 403 A C 2.094 179.579 177.584 -0.165 0.000 1.181 403 A CA 1.604 53.568 52.037 -0.121 0.000 0.627 403 A CB -0.532 18.421 19.000 -0.077 0.000 0.818 403 A HN 0.364 nan 8.150 nan 0.000 0.445 404 I N -1.014 119.412 120.570 -0.240 0.000 2.233 404 I HA -0.221 3.950 4.170 0.001 0.000 0.243 404 I C 2.737 178.646 176.117 -0.348 0.000 1.093 404 I CA 1.179 62.313 61.300 -0.276 0.000 1.380 404 I CB -0.283 37.500 38.000 -0.361 0.000 1.067 404 I HN 0.313 nan 8.210 nan 0.000 0.413 405 Q N -0.157 119.311 119.800 -0.554 0.000 2.163 405 Q HA -0.047 4.293 4.340 0.001 0.000 0.198 405 Q C 2.157 177.978 176.000 -0.299 0.000 0.954 405 Q CA 1.155 56.642 55.803 -0.527 0.000 0.851 405 Q CB -0.129 28.053 28.738 -0.927 0.000 0.928 405 Q HN 0.368 nan 8.270 nan 0.000 0.459 406 L N 0.973 122.046 121.223 -0.251 0.000 2.130 406 L HA 0.020 4.360 4.340 0.001 0.000 0.200 406 L C 1.235 178.034 176.870 -0.118 0.000 1.075 406 L CA 1.736 56.489 54.840 -0.146 0.000 0.768 406 L CB -0.150 41.846 42.059 -0.106 0.000 0.933 406 L HN -0.033 nan 8.230 nan 0.000 0.451 407 D N -0.359 119.967 120.400 -0.123 0.000 2.349 407 D HA -0.021 4.619 4.640 0.001 0.000 0.215 407 D C 0.301 176.546 176.300 -0.091 0.000 1.016 407 D CA 0.164 54.106 54.000 -0.097 0.000 0.870 407 D CB 0.280 41.024 40.800 -0.094 0.000 0.917 407 D HN 0.069 nan 8.370 nan 0.000 0.524 408 K N -0.290 120.046 120.400 -0.108 0.000 3.071 408 K HA -0.128 4.192 4.320 0.001 0.000 0.265 408 K C -0.673 175.888 176.600 -0.064 0.000 1.060 408 K CA 0.097 56.331 56.287 -0.088 0.000 0.767 408 K CB -2.075 30.384 32.500 -0.067 0.000 1.241 408 K HN 0.021 nan 8.250 nan 0.000 0.486 409 V N 1.037 120.909 119.914 -0.069 0.000 2.637 409 V HA 0.050 4.170 4.120 0.001 0.000 0.296 409 V C 1.163 177.255 176.094 -0.004 0.000 1.046 409 V CA -0.416 61.859 62.300 -0.041 0.000 1.066 409 V CB 1.291 33.086 31.823 -0.046 0.000 0.968 409 V HN 0.336 nan 8.190 nan 0.000 0.483 410 N N 3.987 122.700 118.700 0.022 0.000 3.303 410 N HA 0.097 4.838 4.740 0.001 0.000 0.304 410 N C -0.590 174.985 175.510 0.109 0.000 1.302 410 N CA -0.337 52.751 53.050 0.062 0.000 1.213 410 N CB -0.349 38.176 38.487 0.065 0.000 1.481 410 N HN 0.592 nan 8.380 nan 0.000 0.546 411 L N 1.100 122.403 121.223 0.134 0.000 2.361 411 L HA 0.200 4.541 4.340 0.001 0.000 0.278 411 L C 0.929 177.929 176.870 0.217 0.000 1.113 411 L CA 0.702 55.663 54.840 0.202 0.000 0.849 411 L CB 0.894 43.114 42.059 0.267 0.000 1.155 411 L HN 0.380 nan 8.230 nan 0.000 0.452 412 Q N 3.233 123.046 119.800 0.023 0.000 2.353 412 Q HA 0.314 4.654 4.340 0.001 0.000 0.240 412 Q C -0.792 174.643 176.000 -0.942 0.000 0.868 412 Q CA 0.069 55.712 55.803 -0.268 0.000 0.944 412 Q CB 1.356 30.049 28.738 -0.074 0.000 1.104 412 Q HN 0.514 nan 8.270 nan 0.000 0.531 413 V N 0.764 120.160 119.914 -0.863 0.000 2.686 413 V HA 0.293 4.413 4.120 0.001 0.000 0.306 413 V C -1.676 174.137 176.094 -0.467 0.000 1.065 413 V CA -0.964 60.713 62.300 -1.038 0.000 0.894 413 V CB 1.769 32.774 31.823 -1.363 0.000 1.004 413 V HN 0.133 nan 8.190 nan 0.000 0.424 414 Y N 4.485 124.509 120.300 -0.461 0.000 2.335 414 Y HA 0.690 5.241 4.550 0.001 0.000 0.338 414 Y C -0.362 175.653 175.900 0.192 0.000 0.977 414 Y CA -0.594 57.547 58.100 0.068 0.000 1.114 414 Y CB 1.570 40.240 38.460 0.351 0.000 1.182 414 Y HN 0.751 nan 8.280 nan 0.000 0.463 415 C N 7.001 126.021 119.300 -0.467 0.000 2.346 415 C HA 0.861 5.321 4.460 0.001 0.000 0.326 415 C C -0.170 174.644 174.990 -0.294 0.000 1.224 415 C CA -0.484 58.421 59.018 -0.188 0.000 1.408 415 C CB -1.065 26.662 27.740 -0.022 0.000 2.089 415 C HN 1.046 nan 8.230 nan 0.000 0.456 416 A N 6.288 129.105 122.820 -0.005 0.000 2.409 416 A HA 0.422 4.743 4.320 0.001 0.000 0.267 416 A C -0.341 177.417 177.584 0.290 0.000 1.127 416 A CA -0.281 51.865 52.037 0.181 0.000 0.795 416 A CB 0.294 19.424 19.000 0.217 0.000 1.061 416 A HN 0.994 nan 8.150 nan 0.000 0.502 417 W N 4.006 125.424 121.300 0.196 0.000 2.332 417 W HA 0.493 5.153 4.660 -0.000 0.000 0.306 417 W C -0.316 176.438 176.519 0.391 0.000 1.149 417 W CA -0.016 57.474 57.345 0.243 0.000 1.271 417 W CB 1.360 30.938 29.460 0.197 0.000 1.243 417 W HN 0.736 nan 8.180 nan 0.000 0.459 418 S N 4.502 120.161 115.700 -0.069 0.000 2.627 418 S HA 0.278 4.748 4.470 0.001 0.000 0.283 418 S C 0.332 174.911 174.600 -0.035 0.000 1.127 418 S CA -0.721 57.169 58.200 -0.517 0.000 0.863 418 S CB 1.564 63.976 63.200 -1.314 0.000 1.121 418 S HN 0.527 nan 8.310 nan 0.000 0.479 419 L N 2.371 123.613 121.223 0.031 0.000 2.043 419 L HA 0.290 4.631 4.340 0.001 0.000 0.212 419 L C -0.111 176.910 176.870 0.252 0.000 1.075 419 L CA 1.929 56.901 54.840 0.221 0.000 0.752 419 L CB -0.364 41.833 42.059 0.229 0.000 0.891 419 L HN 0.648 nan 8.230 nan 0.000 0.432 420 L N -0.393 120.903 121.223 0.122 0.000 2.381 420 L HA 0.365 4.706 4.340 0.001 0.000 0.268 420 L C -0.715 176.267 176.870 0.187 0.000 0.997 420 L CA -1.260 53.684 54.840 0.175 0.000 0.818 420 L CB 1.419 43.549 42.059 0.119 0.000 1.310 420 L HN -0.186 nan 8.230 nan 0.000 0.416 421 D N 2.391 122.961 120.400 0.284 0.000 2.525 421 D HA 0.156 4.796 4.640 0.001 0.000 0.235 421 D C -0.362 176.239 176.300 0.501 0.000 1.137 421 D CA 0.785 55.011 54.000 0.377 0.000 0.868 421 D CB 0.494 41.516 40.800 0.369 0.000 1.180 421 D HN 0.671 nan 8.370 nan 0.000 0.465 422 N N -0.286 118.687 118.700 0.455 0.000 3.344 422 N HA 0.263 5.004 4.740 0.001 0.000 0.296 422 N C -1.384 174.223 175.510 0.161 0.000 1.571 422 N CA -0.923 52.358 53.050 0.385 0.000 0.844 422 N CB 0.156 38.765 38.487 0.203 0.000 1.718 422 N HN 0.185 nan 8.380 nan 0.000 0.589 423 F N 0.909 120.745 119.950 -0.190 0.000 2.490 423 F HA 0.245 4.773 4.527 0.001 0.000 0.357 423 F C 0.659 176.101 175.800 -0.596 0.000 1.166 423 F CA -0.295 57.310 58.000 -0.659 0.000 1.116 423 F CB 0.276 38.891 39.000 -0.642 0.000 1.171 423 F HN 0.629 nan 8.300 nan 0.000 0.576 424 E N 7.149 126.878 120.200 -0.786 0.000 2.261 424 E HA 0.148 4.499 4.350 0.001 0.000 0.308 424 E C -0.086 176.147 176.600 -0.611 0.000 1.400 424 E CA -0.017 56.068 56.400 -0.524 0.000 1.542 424 E CB -0.519 29.149 29.700 -0.055 0.000 1.369 424 E HN 0.710 nan 8.360 nan 0.000 0.493 425 W N 0.961 121.821 121.300 -0.733 0.000 2.164 425 W HA -0.525 4.134 4.660 -0.001 0.000 0.291 425 W C 1.637 177.893 176.519 -0.438 0.000 1.276 425 W CA 1.173 58.129 57.345 -0.648 0.000 1.209 425 W CB -1.252 27.984 29.460 -0.373 0.000 0.887 425 W HN 0.353 nan 8.180 nan 0.000 0.530 426 N N 0.576 119.459 118.700 0.305 0.000 2.443 426 N HA -0.141 4.599 4.740 0.001 0.000 0.184 426 N C 1.337 176.932 175.510 0.142 0.000 1.037 426 N CA 1.650 54.888 53.050 0.314 0.000 0.896 426 N CB -0.390 38.325 38.487 0.380 0.000 0.959 426 N HN 0.451 nan 8.380 nan 0.000 0.442 427 Q N 0.495 120.295 119.800 -0.001 0.000 2.451 427 Q HA 0.094 4.435 4.340 0.001 0.000 0.206 427 Q C 1.425 177.290 176.000 -0.226 0.000 0.947 427 Q CA 0.322 56.083 55.803 -0.070 0.000 0.937 427 Q CB 0.201 28.905 28.738 -0.057 0.000 1.025 427 Q HN 0.300 nan 8.270 nan 0.000 0.511 428 G N 1.674 110.162 108.800 -0.519 0.000 2.634 428 G HA2 -0.365 3.595 3.960 0.001 0.000 0.309 428 G HA3 -0.365 3.595 3.960 0.001 0.000 0.309 428 G C 0.200 174.635 174.900 -0.775 0.000 1.265 428 G CA 0.746 45.331 45.100 -0.858 0.000 0.998 428 G HN 0.431 nan 8.290 nan 0.000 0.551 429 Y N 1.859 122.075 120.300 -0.140 0.000 2.471 429 Y HA 0.317 4.867 4.550 0.000 0.000 0.286 429 Y C 2.852 178.687 175.900 -0.108 0.000 1.188 429 Y CA 1.024 58.995 58.100 -0.214 0.000 1.286 429 Y CB 0.066 38.267 38.460 -0.431 0.000 1.072 429 Y HN 0.547 nan 8.280 nan 0.000 0.517 430 S N -1.940 113.656 115.700 -0.173 0.000 2.489 430 S HA 0.003 4.473 4.470 0.001 0.000 0.228 430 S C 0.971 175.466 174.600 -0.175 0.000 0.995 430 S CA 0.223 58.223 58.200 -0.333 0.000 0.934 430 S CB -0.044 62.495 63.200 -1.103 0.000 0.771 430 S HN 0.154 nan 8.310 nan 0.000 0.522 431 S N 1.172 116.812 115.700 -0.100 0.000 2.530 431 S HA 0.521 4.991 4.470 0.001 0.000 0.322 431 S C -0.744 173.905 174.600 0.081 0.000 1.085 431 S CA -0.842 57.337 58.200 -0.034 0.000 1.096 431 S CB 0.522 63.739 63.200 0.027 0.000 0.988 431 S HN 0.437 nan 8.310 nan 0.000 0.466 432 R N 4.057 124.575 120.500 0.029 0.000 2.278 432 R HA 0.308 4.648 4.340 0.001 0.000 0.322 432 R C -0.443 175.896 176.300 0.064 0.000 1.058 432 R CA -0.189 55.999 56.100 0.147 0.000 0.991 432 R CB 0.406 30.822 30.300 0.193 0.000 1.140 432 R HN 0.645 nan 8.270 nan 0.000 0.518 433 F N 0.358 120.415 119.950 0.177 0.000 2.789 433 F HA 0.153 4.680 4.527 0.001 0.000 0.300 433 F C 1.824 177.723 175.800 0.166 0.000 1.132 433 F CA -0.090 58.033 58.000 0.205 0.000 1.404 433 F CB 0.494 39.716 39.000 0.370 0.000 1.114 433 F HN 0.520 nan 8.300 nan 0.000 0.584 434 G N 0.189 109.183 108.800 0.323 0.000 2.544 434 G HA2 0.234 4.194 3.960 0.001 0.000 0.242 434 G HA3 0.234 4.194 3.960 0.001 0.000 0.242 434 G C 0.856 175.959 174.900 0.338 0.000 1.247 434 G CA -0.458 44.833 45.100 0.319 0.000 0.840 434 G HN 0.236 nan 8.290 nan 0.000 0.578 435 L N 0.198 121.627 121.223 0.342 0.000 2.240 435 L HA 0.200 4.541 4.340 0.001 0.000 0.211 435 L C 0.240 177.234 176.870 0.206 0.000 1.106 435 L CA 0.507 55.503 54.840 0.261 0.000 0.793 435 L CB -0.153 42.034 42.059 0.213 0.000 0.927 435 L HN 0.311 nan 8.230 nan 0.000 0.446 436 F N -1.272 118.859 119.950 0.301 0.000 2.458 436 F HA 0.308 4.835 4.527 0.000 0.000 0.336 436 F C 0.679 176.571 175.800 0.154 0.000 1.114 436 F CA -0.858 57.236 58.000 0.158 0.000 0.987 436 F CB 0.813 39.839 39.000 0.044 0.000 1.130 436 F HN -0.108 nan 8.300 nan 0.000 0.458 437 H N 3.388 122.373 119.070 -0.142 0.000 2.764 437 H HA 0.391 4.948 4.556 0.001 0.000 0.341 437 H C -1.183 174.078 175.328 -0.110 0.000 1.072 437 H CA 0.189 56.108 56.048 -0.215 0.000 1.444 437 H CB 1.159 30.540 29.762 -0.636 0.000 1.458 437 H HN 0.394 nan 8.280 nan 0.000 0.572 438 V N 5.352 124.911 119.914 -0.591 0.000 2.540 438 V HA 0.034 4.154 4.120 0.001 0.000 0.302 438 V C 0.005 175.496 176.094 -1.005 0.000 1.035 438 V CA -0.943 60.951 62.300 -0.678 0.000 0.873 438 V CB 1.771 33.138 31.823 -0.760 0.000 0.992 438 V HN 0.751 nan 8.190 nan 0.000 0.428 439 D N 3.244 123.318 120.400 -0.544 0.000 2.411 439 D HA 0.284 4.925 4.640 0.001 0.000 0.225 439 D C 0.393 176.449 176.300 -0.405 0.000 1.156 439 D CA -0.305 53.502 54.000 -0.321 0.000 0.874 439 D CB 0.760 41.526 40.800 -0.056 0.000 1.034 439 D HN 0.361 nan 8.370 nan 0.000 0.502 440 F N 1.569 121.460 119.950 -0.097 0.000 2.802 440 F HA 0.094 4.622 4.527 0.002 0.000 0.300 440 F C 1.979 177.721 175.800 -0.096 0.000 1.168 440 F CA 0.257 58.156 58.000 -0.169 0.000 1.433 440 F CB 0.087 38.870 39.000 -0.362 0.000 1.115 440 F HN 0.411 nan 8.300 nan 0.000 0.582 441 E N -0.733 119.511 120.200 0.073 0.000 2.415 441 E HA -0.040 4.311 4.350 0.001 0.000 0.197 441 E C 0.193 176.813 176.600 0.033 0.000 1.007 441 E CA 0.126 56.564 56.400 0.064 0.000 0.890 441 E CB 0.158 29.903 29.700 0.074 0.000 0.891 441 E HN 0.165 nan 8.360 nan 0.000 0.496 442 D N 1.453 121.856 120.400 0.006 0.000 2.232 442 D HA 0.062 4.702 4.640 0.001 0.000 0.242 442 D C -1.618 174.678 176.300 -0.007 0.000 1.093 442 D CA -2.485 51.512 54.000 -0.005 0.000 0.845 442 D CB 1.746 42.533 40.800 -0.022 0.000 1.124 442 D HN -0.192 nan 8.370 nan 0.000 0.467 443 P HA -0.077 nan 4.420 nan 0.000 0.225 443 P C 0.729 178.030 177.300 0.002 0.000 1.148 443 P CA 0.572 63.679 63.100 0.011 0.000 0.779 443 P CB 0.270 31.979 31.700 0.015 0.000 0.780 444 A N -0.348 122.464 122.820 -0.013 0.000 2.218 444 A HA 0.066 4.386 4.320 0.001 0.000 0.209 444 A C 0.807 178.367 177.584 -0.041 0.000 1.168 444 A CA -0.059 51.964 52.037 -0.023 0.000 0.804 444 A CB -0.514 18.470 19.000 -0.028 0.000 0.834 444 A HN -0.082 nan 8.150 nan 0.000 0.482 445 R N -1.402 119.063 120.500 -0.058 0.000 3.264 445 R HA -0.118 4.222 4.340 0.001 0.000 0.251 445 R C -2.628 173.596 176.300 -0.126 0.000 0.971 445 R CA 0.823 56.856 56.100 -0.112 0.000 0.658 445 R CB -2.668 27.587 30.300 -0.074 0.000 1.095 445 R HN 0.475 nan 8.270 nan 0.000 0.443 446 P HA 0.095 nan 4.420 nan 0.000 0.268 446 P C -0.181 177.071 177.300 -0.080 0.000 1.204 446 P CA 0.091 63.142 63.100 -0.081 0.000 0.768 446 P CB 0.574 32.241 31.700 -0.056 0.000 0.842 447 R N 1.757 122.219 120.500 -0.063 0.000 2.312 447 R HA 0.579 4.919 4.340 0.001 0.000 0.311 447 R C -0.445 175.905 176.300 0.084 0.000 1.004 447 R CA -0.647 55.451 56.100 -0.002 0.000 0.902 447 R CB 1.064 31.315 30.300 -0.082 0.000 1.073 447 R HN 0.246 nan 8.270 nan 0.000 0.457 448 V N 5.048 125.046 119.914 0.139 0.000 2.686 448 V HA 0.431 4.551 4.120 0.001 0.000 0.306 448 V C -2.252 173.831 176.094 -0.018 0.000 1.065 448 V CA -2.173 60.165 62.300 0.062 0.000 0.894 448 V CB 2.325 34.102 31.823 -0.077 0.000 1.004 448 V HN 0.727 nan 8.190 nan 0.000 0.424 449 P HA 0.138 nan 4.420 nan 0.000 0.268 449 P C -0.998 176.063 177.300 -0.399 0.000 1.204 449 P CA 0.067 62.827 63.100 -0.567 0.000 0.768 449 P CB 0.394 31.784 31.700 -0.515 0.000 0.842 450 Y N 0.631 120.761 120.300 -0.284 0.000 2.299 450 Y HA 0.014 4.565 4.550 0.000 0.000 0.335 450 Y C 2.531 178.301 175.900 -0.217 0.000 1.287 450 Y CA 0.499 58.502 58.100 -0.161 0.000 1.424 450 Y CB -0.340 38.083 38.460 -0.063 0.000 1.326 450 Y HN 0.332 nan 8.280 nan 0.000 0.567 451 T N -0.438 114.131 114.554 0.025 0.000 2.699 451 T HA -0.229 4.121 4.350 0.001 0.000 0.268 451 T C 2.082 176.638 174.700 -0.241 0.000 1.036 451 T CA 2.009 64.042 62.100 -0.112 0.000 1.147 451 T CB -0.312 68.511 68.868 -0.075 0.000 0.862 451 T HN 0.655 nan 8.240 nan 0.000 0.446 452 S N 1.029 116.657 115.700 -0.120 0.000 2.387 452 S HA -0.137 4.333 4.470 0.001 0.000 0.230 452 S C 2.498 176.896 174.600 -0.336 0.000 1.035 452 S CA 1.039 59.114 58.200 -0.209 0.000 1.014 452 S CB -0.527 62.745 63.200 0.119 0.000 0.836 452 S HN 0.636 nan 8.310 nan 0.000 0.466 453 A N 1.740 124.412 122.820 -0.247 0.000 1.877 453 A HA -0.150 4.171 4.320 0.001 0.000 0.216 453 A C 2.055 179.475 177.584 -0.273 0.000 1.186 453 A CA 1.512 53.381 52.037 -0.280 0.000 0.620 453 A CB -0.428 18.173 19.000 -0.665 0.000 0.822 453 A HN 0.490 nan 8.150 nan 0.000 0.443 454 K N -0.517 119.689 120.400 -0.322 0.000 2.057 454 K HA -0.122 4.198 4.320 0.001 0.000 0.207 454 K C 1.895 178.265 176.600 -0.384 0.000 1.049 454 K CA 1.349 57.458 56.287 -0.296 0.000 0.931 454 K CB -0.144 32.200 32.500 -0.261 0.000 0.714 454 K HN 0.382 nan 8.250 nan 0.000 0.440 455 E N 0.234 120.054 120.200 -0.633 0.000 2.107 455 E HA -0.159 4.191 4.350 0.001 0.000 0.191 455 E C 1.900 178.087 176.600 -0.689 0.000 0.982 455 E CA 0.917 56.782 56.400 -0.891 0.000 0.809 455 E CB -0.286 28.262 29.700 -1.919 0.000 0.756 455 E HN 0.311 nan 8.360 nan 0.000 0.459 456 Y N 1.645 121.479 120.300 -0.777 0.000 2.181 456 Y HA -0.122 4.429 4.550 0.001 0.000 0.288 456 Y C 2.231 177.952 175.900 -0.298 0.000 1.146 456 Y CA 1.071 58.984 58.100 -0.312 0.000 1.164 456 Y CB -0.598 37.785 38.460 -0.129 0.000 0.982 456 Y HN -0.007 nan 8.280 nan 0.000 0.515 457 A N 0.291 122.928 122.820 -0.306 0.000 1.940 457 A HA -0.202 4.119 4.320 0.001 0.000 0.219 457 A C 2.284 179.674 177.584 -0.324 0.000 1.176 457 A CA 1.870 53.712 52.037 -0.325 0.000 0.631 457 A CB -0.507 18.374 19.000 -0.199 0.000 0.814 457 A HN 0.504 nan 8.150 nan 0.000 0.446 458 K N -0.464 119.764 120.400 -0.288 0.000 2.025 458 K HA -0.071 4.249 4.320 0.001 0.000 0.207 458 K C 1.813 178.247 176.600 -0.278 0.000 1.049 458 K CA 1.261 57.407 56.287 -0.236 0.000 0.933 458 K CB -0.347 32.039 32.500 -0.189 0.000 0.714 458 K HN 0.371 nan 8.250 nan 0.000 0.438 459 I N 1.753 122.120 120.570 -0.338 0.000 2.151 459 I HA -0.296 3.874 4.170 0.001 0.000 0.243 459 I C 2.375 178.010 176.117 -0.804 0.000 1.080 459 I CA 1.626 62.611 61.300 -0.524 0.000 1.339 459 I CB -0.989 36.629 38.000 -0.636 0.000 1.039 459 I HN 0.172 nan 8.210 nan 0.000 0.409 460 I N 0.070 120.077 120.570 -0.939 0.000 2.179 460 I HA -0.313 3.857 4.170 0.001 0.000 0.242 460 I C 2.835 178.715 176.117 -0.394 0.000 1.088 460 I CA 1.294 62.062 61.300 -0.888 0.000 1.357 460 I CB -0.475 37.112 38.000 -0.689 0.000 1.051 460 I HN 0.191 nan 8.210 nan 0.000 0.409 461 R N 1.106 121.427 120.500 -0.299 0.000 2.091 461 R HA -0.166 4.175 4.340 0.001 0.000 0.238 461 R C 1.743 177.974 176.300 -0.115 0.000 1.136 461 R CA 1.751 57.753 56.100 -0.163 0.000 0.959 461 R CB -0.088 30.123 30.300 -0.147 0.000 0.856 461 R HN 0.372 nan 8.270 nan 0.000 0.437 462 N N 0.763 119.377 118.700 -0.143 0.000 2.461 462 N HA -0.097 4.643 4.740 0.001 0.000 0.188 462 N C -0.079 175.415 175.510 -0.027 0.000 1.134 462 N CA 0.402 53.406 53.050 -0.077 0.000 0.878 462 N CB -0.154 38.285 38.487 -0.079 0.000 0.972 462 N HN 0.203 nan 8.380 nan 0.000 0.456 463 N N 0.351 119.024 118.700 -0.045 0.000 2.716 463 N HA -0.194 4.547 4.740 0.001 0.000 0.250 463 N C 0.115 175.737 175.510 0.186 0.000 1.033 463 N CA 1.118 54.253 53.050 0.142 0.000 0.727 463 N CB -1.055 37.589 38.487 0.262 0.000 0.950 463 N HN 0.552 nan 8.380 nan 0.000 0.541 464 G N -1.850 106.933 108.800 -0.028 0.000 2.356 464 G HA2 0.442 4.402 3.960 0.001 0.000 0.266 464 G HA3 0.442 4.402 3.960 0.001 0.000 0.266 464 G C -1.354 173.528 174.900 -0.030 0.000 1.312 464 G CA -0.353 44.804 45.100 0.095 0.000 0.922 464 G HN 1.008 nan 8.290 nan 0.000 0.480 465 L N -4.482 116.761 121.223 0.034 0.000 2.491 465 L HA 1.097 5.438 4.340 0.001 0.000 0.254 465 L C -0.154 176.704 176.870 -0.020 0.000 1.048 465 L CA -0.295 54.555 54.840 0.017 0.000 0.855 465 L CB 1.090 43.199 42.059 0.083 0.000 1.466 465 L HN 1.335 nan 8.230 nan 0.000 0.409 466 E N 0.000 120.198 120.200 -0.004 0.000 2.725 466 E HA 0.000 4.350 4.350 0.001 0.000 0.291 466 E CA 0.000 56.386 56.400 -0.024 0.000 0.976 466 E CB 0.000 29.691 29.700 -0.014 0.000 0.812 466 E HN 0.000 nan 8.360 nan 0.000 0.440