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 2e9l_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 ITINEANVLS 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 0.000 176.147 176.300 -0.256 0.000 1.140 1 M CA 0.000 54.808 55.300 -0.820 0.000 0.988 1 M CB 0.000 31.818 32.600 -1.303 0.000 1.302 2 A N 2.638 125.474 122.820 0.027 0.000 2.276 2 A HA 0.806 5.117 4.320 -0.015 0.000 0.300 2 A C -0.687 177.103 177.584 0.342 0.000 1.235 2 A CA -0.149 52.021 52.037 0.222 0.000 0.867 2 A CB 0.181 19.275 19.000 0.157 0.000 1.137 2 A HN 0.597 nan 8.150 nan 0.000 0.527 3 F N 2.517 122.564 119.950 0.161 0.000 2.440 3 F HA 0.372 4.890 4.527 -0.015 0.000 0.323 3 F C -1.580 174.258 175.800 0.064 0.000 1.192 3 F CA -1.503 56.524 58.000 0.045 0.000 1.252 3 F CB 0.060 38.952 39.000 -0.179 0.000 1.214 3 F HN 0.380 nan 8.300 nan 0.000 0.578 4 P HA 0.086 nan 4.420 nan 0.000 0.264 4 P C -1.151 176.292 177.300 0.237 0.000 1.183 4 P CA -0.148 63.058 63.100 0.177 0.000 0.763 4 P CB 0.257 32.072 31.700 0.191 0.000 0.807 5 A N 3.248 126.171 122.820 0.172 0.000 2.522 5 A HA 0.426 4.737 4.320 -0.015 0.000 0.256 5 A C 1.504 179.183 177.584 0.159 0.000 1.086 5 A CA 0.747 52.881 52.037 0.161 0.000 0.763 5 A CB -1.304 17.764 19.000 0.113 0.000 1.024 5 A HN 0.883 nan 8.150 nan 0.000 0.502 6 G N 1.461 110.365 108.800 0.173 0.000 2.176 6 G HA2 -0.212 3.739 3.960 -0.015 0.000 0.232 6 G HA3 -0.212 3.739 3.960 -0.015 0.000 0.232 6 G C 0.136 175.116 174.900 0.133 0.000 0.986 6 G CA 0.089 45.272 45.100 0.139 0.000 0.643 6 G HN 1.245 nan 8.290 nan 0.000 0.522 7 F N 2.191 122.152 119.950 0.019 0.000 2.602 7 F HA 0.457 4.975 4.527 -0.015 0.000 0.367 7 F C 1.090 176.739 175.800 -0.252 0.000 1.126 7 F CA 0.863 58.782 58.000 -0.134 0.000 1.321 7 F CB 0.734 39.648 39.000 -0.143 0.000 1.094 7 F HN 0.258 nan 8.300 nan 0.000 0.594 8 G N 5.353 113.508 108.800 -1.074 0.000 2.319 8 G HA2 0.326 4.278 3.960 -0.015 0.000 0.308 8 G HA3 0.326 4.278 3.960 -0.015 0.000 0.308 8 G C -1.947 172.501 174.900 -0.753 0.000 1.117 8 G CA -0.532 44.126 45.100 -0.737 0.000 0.903 8 G HN 0.737 nan 8.290 nan 0.000 0.436 9 W N 2.048 123.345 121.300 -0.006 0.000 2.361 9 W HA 0.631 5.282 4.660 -0.015 0.000 0.314 9 W C 0.210 176.841 176.519 0.187 0.000 1.041 9 W CA -0.535 56.888 57.345 0.130 0.000 1.241 9 W CB 2.138 31.603 29.460 0.007 0.000 1.279 9 W HN 0.770 nan 8.180 nan 0.000 0.436 10 A N 1.952 125.082 122.820 0.516 0.000 2.486 10 A HA 1.024 5.335 4.320 -0.015 0.000 0.289 10 A C -1.284 176.603 177.584 0.505 0.000 1.176 10 A CA -0.758 51.529 52.037 0.417 0.000 0.757 10 A CB 1.425 20.559 19.000 0.223 0.000 1.337 10 A HN 0.758 nan 8.150 nan 0.000 0.423 11 A N -0.976 122.119 122.820 0.458 0.000 2.527 11 A HA 0.954 5.265 4.320 -0.015 0.000 0.293 11 A C -0.387 177.395 177.584 0.330 0.000 1.117 11 A CA -0.059 52.222 52.037 0.406 0.000 0.723 11 A CB 1.381 20.652 19.000 0.452 0.000 1.313 11 A HN 2.489 nan 8.150 nan 0.000 0.411 12 A N 0.041 122.991 122.820 0.217 0.000 2.413 12 A HA 0.963 5.274 4.320 -0.015 0.000 0.307 12 A C -0.094 177.446 177.584 -0.074 0.000 1.087 12 A CA 0.095 52.211 52.037 0.130 0.000 0.750 12 A CB 1.381 20.596 19.000 0.359 0.000 1.296 12 A HN 2.089 nan 8.150 nan 0.000 0.423 13 T N -1.921 112.626 114.554 -0.012 0.000 2.838 13 T HA 0.885 5.226 4.350 -0.015 0.000 0.292 13 T C -0.447 174.363 174.700 0.184 0.000 1.113 13 T CA -0.173 61.883 62.100 -0.074 0.000 1.008 13 T CB 1.630 70.570 68.868 0.121 0.000 1.259 13 T HN 2.134 nan 8.240 nan 0.000 0.520 14 A N -0.145 122.773 122.820 0.164 0.000 2.435 14 A HA 0.887 5.198 4.320 -0.015 0.000 0.304 14 A C 1.226 178.892 177.584 0.136 0.000 1.064 14 A CA -0.416 51.609 52.037 -0.021 0.000 0.727 14 A CB 1.129 19.761 19.000 -0.613 0.000 1.284 14 A HN 1.525 nan 8.150 nan 0.000 0.415 15 A N 0.817 123.781 122.820 0.240 0.000 1.873 15 A HA -0.161 4.150 4.320 -0.015 0.000 0.218 15 A C 1.860 179.606 177.584 0.270 0.000 1.193 15 A CA 2.363 54.607 52.037 0.345 0.000 0.629 15 A CB -1.110 18.162 19.000 0.452 0.000 0.826 15 A HN 1.397 nan 8.150 nan 0.000 0.447 16 Y N 0.618 121.033 120.300 0.191 0.000 2.293 16 Y HA -0.182 4.359 4.550 -0.015 0.000 0.291 16 Y C 2.508 178.376 175.900 -0.054 0.000 1.137 16 Y CA 2.116 60.283 58.100 0.111 0.000 1.202 16 Y CB -0.206 38.366 38.460 0.187 0.000 0.990 16 Y HN 0.469 nan 8.280 nan 0.000 0.537 17 Q N -0.991 118.760 119.800 -0.081 0.000 2.297 17 Q HA -0.079 4.252 4.340 -0.015 0.000 0.204 17 Q C 1.987 177.990 176.000 0.005 0.000 0.962 17 Q CA 1.769 57.480 55.803 -0.154 0.000 0.879 17 Q CB 0.098 28.721 28.738 -0.191 0.000 0.947 17 Q HN 0.570 nan 8.270 nan 0.000 0.462 18 V N -4.295 115.655 119.914 0.060 0.000 3.473 18 V HA 0.117 4.228 4.120 -0.015 0.000 0.253 18 V C 1.512 177.694 176.094 0.146 0.000 1.340 18 V CA 0.156 62.542 62.300 0.142 0.000 1.103 18 V CB 0.134 32.066 31.823 0.181 0.000 0.881 18 V HN 0.030 nan 8.190 nan 0.000 0.451 19 E N 1.705 121.980 120.200 0.126 0.000 2.072 19 E HA 0.253 4.594 4.350 -0.015 0.000 0.190 19 E C 1.649 178.315 176.600 0.110 0.000 0.982 19 E CA 1.020 57.516 56.400 0.160 0.000 0.803 19 E CB -0.338 29.464 29.700 0.170 0.000 0.755 19 E HN 0.844 nan 8.360 nan 0.000 0.453 20 G N 0.162 108.978 108.800 0.027 0.000 2.578 20 G HA2 -0.337 3.614 3.960 -0.015 0.000 0.275 20 G HA3 -0.337 3.614 3.960 -0.015 0.000 0.275 20 G C 0.723 175.661 174.900 0.062 0.000 1.271 20 G CA 0.020 45.156 45.100 0.059 0.000 0.941 20 G HN 0.857 nan 8.290 nan 0.000 0.564 21 G N -0.763 108.092 108.800 0.092 0.000 2.356 21 G HA2 -0.192 3.759 3.960 -0.015 0.000 0.296 21 G HA3 -0.192 3.759 3.960 -0.015 0.000 0.296 21 G C 1.146 175.957 174.900 -0.149 0.000 1.022 21 G CA 1.340 46.404 45.100 -0.059 0.000 0.961 21 G HN 2.169 nan 8.290 nan 0.000 0.510 22 W N 0.730 121.998 121.300 -0.053 0.000 2.421 22 W HA -0.001 4.651 4.660 -0.014 0.000 0.270 22 W C 0.687 177.217 176.519 0.019 0.000 1.233 22 W CA 1.491 58.842 57.345 0.010 0.000 1.226 22 W CB -0.286 29.234 29.460 0.100 0.000 1.121 22 W HN 0.549 nan 8.180 nan 0.000 0.579 23 D N -0.228 119.564 120.400 -1.012 0.000 2.563 23 D HA 0.297 4.928 4.640 -0.015 0.000 0.237 23 D C 0.295 176.298 176.300 -0.495 0.000 1.282 23 D CA -0.331 53.111 54.000 -0.930 0.000 0.816 23 D CB -0.567 39.305 40.800 -1.545 0.000 1.066 23 D HN 0.008 nan 8.370 nan 0.000 0.501 24 A N 0.794 123.388 122.820 -0.377 0.000 2.440 24 A HA 0.374 4.685 4.320 -0.015 0.000 0.251 24 A C 0.461 177.966 177.584 -0.131 0.000 1.089 24 A CA 0.013 51.929 52.037 -0.202 0.000 0.779 24 A CB 0.055 18.982 19.000 -0.123 0.000 1.022 24 A HN 0.194 nan 8.150 nan 0.000 0.492 25 D N 0.981 121.366 120.400 -0.024 0.000 2.772 25 D HA -0.208 4.424 4.640 -0.015 0.000 0.233 25 D C 1.013 177.337 176.300 0.041 0.000 1.143 25 D CA 2.371 56.399 54.000 0.047 0.000 0.700 25 D CB -1.500 39.385 40.800 0.142 0.000 1.076 25 D HN 1.936 nan 8.370 nan 0.000 0.430 26 G N 0.096 108.885 108.800 -0.019 0.000 2.179 26 G HA2 -0.400 3.552 3.960 -0.015 0.000 0.260 26 G HA3 -0.400 3.552 3.960 -0.015 0.000 0.260 26 G C 0.368 175.246 174.900 -0.036 0.000 0.977 26 G CA 0.685 45.776 45.100 -0.016 0.000 0.641 26 G HN 0.646 nan 8.290 nan 0.000 0.533 27 K N 1.086 121.450 120.400 -0.059 0.000 2.511 27 K HA 0.365 4.676 4.320 -0.015 0.000 0.280 27 K C 1.226 177.793 176.600 -0.056 0.000 1.008 27 K CA 0.452 56.714 56.287 -0.041 0.000 1.050 27 K CB -0.104 32.337 32.500 -0.098 0.000 0.889 27 K HN 0.427 nan 8.250 nan 0.000 0.484 28 G N 4.592 113.390 108.800 -0.005 0.000 2.539 28 G HA2 0.244 4.195 3.960 -0.015 0.000 0.258 28 G HA3 0.244 4.195 3.960 -0.015 0.000 0.258 28 G C -2.430 172.513 174.900 0.072 0.000 1.202 28 G CA -1.261 43.835 45.100 -0.006 0.000 0.851 28 G HN 0.564 nan 8.290 nan 0.000 0.556 29 P HA 0.212 nan 4.420 nan 0.000 0.271 29 P C 0.401 177.784 177.300 0.137 0.000 1.216 29 P CA -0.343 62.887 63.100 0.217 0.000 0.776 29 P CB 0.836 32.668 31.700 0.219 0.000 0.881 30 C N 1.529 120.941 119.300 0.187 0.000 2.354 30 C HA 0.450 4.902 4.460 -0.015 0.000 0.381 30 C C 2.245 177.264 174.990 0.049 0.000 1.240 30 C CA -0.241 58.853 59.018 0.127 0.000 2.089 30 C CB 0.438 28.320 27.740 0.236 0.000 2.234 30 C HN 0.519 nan 8.230 nan 0.000 0.544 31 V N -2.047 117.860 119.914 -0.012 0.000 2.490 31 V HA -0.113 3.999 4.120 -0.015 0.000 0.250 31 V C 1.828 177.755 176.094 -0.279 0.000 1.061 31 V CA 1.762 63.969 62.300 -0.155 0.000 1.064 31 V CB -1.321 30.364 31.823 -0.231 0.000 0.670 31 V HN 0.990 nan 8.190 nan 0.000 0.461 32 W N 0.818 121.945 121.300 -0.289 0.000 2.467 32 W HA 0.039 4.690 4.660 -0.015 0.000 0.275 32 W C 2.306 178.596 176.519 -0.382 0.000 1.239 32 W CA 1.155 58.210 57.345 -0.482 0.000 1.266 32 W CB -0.263 28.481 29.460 -1.192 0.000 1.112 32 W HN 0.248 nan 8.180 nan 0.000 0.576 33 D N -0.432 119.905 120.400 -0.105 0.000 2.084 33 D HA -0.157 4.474 4.640 -0.015 0.000 0.194 33 D C 1.999 177.955 176.300 -0.572 0.000 0.990 33 D CA 2.239 56.007 54.000 -0.387 0.000 0.826 33 D CB -0.963 39.802 40.800 -0.058 0.000 0.971 33 D HN 0.076 nan 8.370 nan 0.000 0.453 34 T N 0.868 115.300 114.554 -0.204 0.000 2.684 34 T HA -0.174 4.167 4.350 -0.015 0.000 0.267 34 T C 1.793 176.440 174.700 -0.089 0.000 1.036 34 T CA 0.855 62.892 62.100 -0.105 0.000 1.148 34 T CB -0.588 68.255 68.868 -0.042 0.000 0.863 34 T HN 0.093 nan 8.240 nan 0.000 0.436 35 F N 2.368 122.163 119.950 -0.258 0.000 2.102 35 F HA -0.182 4.336 4.527 -0.015 0.000 0.298 35 F C 2.754 178.489 175.800 -0.109 0.000 1.105 35 F CA 1.895 59.751 58.000 -0.241 0.000 1.239 35 F CB -0.727 37.992 39.000 -0.468 0.000 0.991 35 F HN 0.246 nan 8.300 nan 0.000 0.474 36 T N -3.166 111.440 114.554 0.087 0.000 2.951 36 T HA -0.179 4.162 4.350 -0.015 0.000 0.268 36 T C 1.704 176.436 174.700 0.053 0.000 1.073 36 T CA 1.773 63.940 62.100 0.112 0.000 1.134 36 T CB -1.108 67.894 68.868 0.223 0.000 0.884 36 T HN 0.553 nan 8.240 nan 0.000 0.479 37 H N 0.615 119.632 119.070 -0.087 0.000 2.495 37 H HA 0.117 4.664 4.556 -0.015 0.000 0.287 37 H C 2.520 177.784 175.328 -0.108 0.000 1.033 37 H CA 0.746 56.722 56.048 -0.121 0.000 1.307 37 H CB 0.083 29.744 29.762 -0.168 0.000 1.401 37 H HN 0.428 nan 8.280 nan 0.000 0.555 38 Q N 0.202 119.984 119.800 -0.030 0.000 2.230 38 Q HA 0.026 4.357 4.340 -0.015 0.000 0.202 38 Q C 1.460 177.394 176.000 -0.110 0.000 0.963 38 Q CA 0.479 56.225 55.803 -0.095 0.000 0.866 38 Q CB 0.345 28.976 28.738 -0.178 0.000 0.931 38 Q HN 0.561 nan 8.270 nan 0.000 0.452 39 G N -0.272 108.458 108.800 -0.116 0.000 2.574 39 G HA2 -0.324 3.627 3.960 -0.015 0.000 0.286 39 G HA3 -0.324 3.627 3.960 -0.015 0.000 0.286 39 G C 0.624 175.446 174.900 -0.131 0.000 1.212 39 G CA -0.124 44.923 45.100 -0.089 0.000 0.979 39 G HN 0.989 nan 8.290 nan 0.000 0.557 40 G N -1.308 107.442 108.800 -0.084 0.000 2.147 40 G HA2 0.151 4.103 3.960 -0.015 0.000 0.244 40 G HA3 0.151 4.103 3.960 -0.015 0.000 0.244 40 G C 0.464 175.328 174.900 -0.061 0.000 1.005 40 G CA 1.339 46.391 45.100 -0.079 0.000 0.713 40 G HN 2.248 nan 8.290 nan 0.000 0.515 41 E N -2.459 117.716 120.200 -0.042 0.000 2.791 41 E HA -0.243 4.098 4.350 -0.015 0.000 0.271 41 E C 1.556 178.172 176.600 0.026 0.000 1.044 41 E CA 1.496 57.891 56.400 -0.009 0.000 0.814 41 E CB -1.272 28.422 29.700 -0.010 0.000 1.400 41 E HN 0.806 nan 8.360 nan 0.000 0.423 42 R N -0.537 119.964 120.500 0.002 0.000 2.161 42 R HA 0.111 4.443 4.340 -0.015 0.000 0.213 42 R C 0.495 176.934 176.300 0.232 0.000 1.055 42 R CA 0.931 57.077 56.100 0.077 0.000 0.996 42 R CB 0.563 30.813 30.300 -0.084 0.000 0.901 42 R HN -0.008 nan 8.270 nan 0.000 0.456 43 V N 1.307 121.354 119.914 0.223 0.000 2.581 43 V HA 0.139 4.251 4.120 -0.015 0.000 0.303 43 V C -0.198 176.039 176.094 0.239 0.000 1.041 43 V CA -1.152 61.334 62.300 0.310 0.000 0.907 43 V CB 1.492 33.574 31.823 0.431 0.000 0.994 43 V HN 0.033 nan 8.190 nan 0.000 0.442 44 F N 5.076 125.085 119.950 0.099 0.000 2.537 44 F HA -0.036 4.482 4.527 -0.015 0.000 0.402 44 F C 1.405 177.261 175.800 0.094 0.000 1.005 44 F CA 0.400 58.445 58.000 0.074 0.000 1.203 44 F CB -0.245 38.776 39.000 0.036 0.000 0.955 44 F HN 0.729 nan 8.300 nan 0.000 0.547 45 K N 4.051 124.130 120.400 -0.535 0.000 2.975 45 K HA -0.401 3.910 4.320 -0.015 0.000 0.257 45 K C 0.269 176.830 176.600 -0.065 0.000 1.005 45 K CA 1.207 57.278 56.287 -0.360 0.000 0.738 45 K CB -1.786 30.433 32.500 -0.469 0.000 1.236 45 K HN 0.987 nan 8.250 nan 0.000 0.483 46 N N -0.154 118.552 118.700 0.011 0.000 2.725 46 N HA -0.236 4.495 4.740 -0.015 0.000 0.249 46 N C -0.422 175.180 175.510 0.153 0.000 1.103 46 N CA 0.986 54.079 53.050 0.073 0.000 0.707 46 N CB -0.491 38.011 38.487 0.025 0.000 1.043 46 N HN 0.485 nan 8.380 nan 0.000 0.553 47 Q N 0.164 120.108 119.800 0.241 0.000 2.443 47 Q HA 0.385 4.716 4.340 -0.015 0.000 0.232 47 Q C 0.813 177.055 176.000 0.404 0.000 1.026 47 Q CA 0.526 56.540 55.803 0.351 0.000 0.924 47 Q CB 0.905 29.908 28.738 0.442 0.000 1.256 47 Q HN 0.385 nan 8.270 nan 0.000 0.519 48 T N -3.400 111.332 114.554 0.297 0.000 2.865 48 T HA 0.555 4.896 4.350 -0.015 0.000 0.294 48 T C 0.325 174.827 174.700 -0.331 0.000 1.119 48 T CA -0.577 61.525 62.100 0.003 0.000 1.007 48 T CB 1.528 70.430 68.868 0.057 0.000 1.225 48 T HN 0.585 nan 8.240 nan 0.000 0.515 49 G N 0.105 108.471 108.800 -0.725 0.000 3.440 49 G HA2 0.213 4.165 3.960 -0.015 0.000 0.263 49 G HA3 0.213 4.165 3.960 -0.015 0.000 0.263 49 G C 0.454 175.114 174.900 -0.399 0.000 1.236 49 G CA -0.286 44.308 45.100 -0.844 0.000 0.927 49 G HN 0.745 nan 8.290 nan 0.000 0.530 50 D N 0.213 120.530 120.400 -0.138 0.000 2.133 50 D HA -0.119 4.512 4.640 -0.015 0.000 0.195 50 D C 2.373 178.780 176.300 0.179 0.000 0.997 50 D CA 1.053 55.083 54.000 0.050 0.000 0.840 50 D CB 0.337 41.166 40.800 0.049 0.000 0.947 50 D HN 0.297 nan 8.370 nan 0.000 0.452 51 V N -0.668 119.307 119.914 0.102 0.000 2.996 51 V HA 0.348 4.459 4.120 -0.015 0.000 0.235 51 V C 1.370 177.528 176.094 0.107 0.000 1.205 51 V CA 0.601 62.971 62.300 0.117 0.000 1.225 51 V CB -0.164 31.729 31.823 0.117 0.000 0.995 51 V HN 0.308 nan 8.190 nan 0.000 0.484 52 A N 0.349 123.247 122.820 0.131 0.000 5.395 52 A HA -0.400 3.911 4.320 -0.015 0.000 0.324 52 A C 1.601 179.404 177.584 0.364 0.000 1.813 52 A CA 2.108 54.298 52.037 0.256 0.000 0.714 52 A CB -2.074 17.010 19.000 0.140 0.000 1.374 52 A HN 0.609 nan 8.150 nan 0.000 0.390 53 C N 0.518 120.021 119.300 0.338 0.000 2.562 53 C HA 0.479 4.930 4.460 -0.015 0.000 0.266 53 C C 2.114 177.176 174.990 0.121 0.000 1.382 53 C CA 0.623 59.776 59.018 0.224 0.000 1.742 53 C CB -1.058 26.798 27.740 0.194 0.000 1.812 53 C HN 2.623 nan 8.230 nan 0.000 0.559 54 G N 1.230 110.112 108.800 0.137 0.000 2.198 54 G HA2 -0.286 3.665 3.960 -0.015 0.000 0.260 54 G HA3 -0.286 3.665 3.960 -0.015 0.000 0.260 54 G C 0.837 175.818 174.900 0.135 0.000 1.025 54 G CA 0.700 45.871 45.100 0.118 0.000 0.769 54 G HN 0.512 nan 8.290 nan 0.000 0.507 55 S N -1.211 114.597 115.700 0.179 0.000 2.474 55 S HA -0.073 4.389 4.470 -0.015 0.000 0.235 55 S C 1.719 176.506 174.600 0.311 0.000 0.997 55 S CA 1.315 59.664 58.200 0.250 0.000 0.949 55 S CB -0.201 63.183 63.200 0.308 0.000 0.766 55 S HN 0.700 nan 8.310 nan 0.000 0.517 56 Y N 2.492 122.802 120.300 0.017 0.000 2.293 56 Y HA -0.108 4.433 4.550 -0.015 0.000 0.291 56 Y C 2.254 178.088 175.900 -0.110 0.000 1.137 56 Y CA 1.351 59.258 58.100 -0.321 0.000 1.202 56 Y CB -0.434 37.792 38.460 -0.390 0.000 0.990 56 Y HN 0.172 nan 8.280 nan 0.000 0.537 57 T N -0.190 114.360 114.554 -0.007 0.000 3.040 57 T HA 0.159 4.500 4.350 -0.015 0.000 0.252 57 T C 1.040 175.751 174.700 0.018 0.000 1.064 57 T CA 0.705 62.783 62.100 -0.037 0.000 1.110 57 T CB 0.050 68.936 68.868 0.030 0.000 0.921 57 T HN 0.161 nan 8.240 nan 0.000 0.480 58 L N 1.045 122.312 121.223 0.073 0.000 3.141 58 L HA 0.323 4.654 4.340 -0.015 0.000 0.267 58 L C 1.486 178.389 176.870 0.054 0.000 1.281 58 L CA -0.441 54.420 54.840 0.034 0.000 1.037 58 L CB -0.028 42.030 42.059 -0.002 0.000 1.407 58 L HN 0.418 nan 8.230 nan 0.000 0.566 59 W N 1.858 123.158 121.300 -0.000 0.000 2.321 59 W HA -0.260 4.391 4.660 -0.015 0.000 0.306 59 W C 1.294 177.746 176.519 -0.112 0.000 1.217 59 W CA 1.955 59.276 57.345 -0.039 0.000 1.257 59 W CB 0.226 29.654 29.460 -0.054 0.000 1.145 59 W HN 0.313 nan 8.180 nan 0.000 0.509 60 E N 0.703 120.643 120.200 -0.434 0.000 2.130 60 E HA -0.240 4.101 4.350 -0.015 0.000 0.196 60 E C 1.937 178.218 176.600 -0.533 0.000 0.998 60 E CA 1.919 57.994 56.400 -0.543 0.000 0.806 60 E CB -0.614 28.941 29.700 -0.241 0.000 0.738 60 E HN 0.282 nan 8.360 nan 0.000 0.459 61 E N 0.585 120.554 120.200 -0.386 0.000 2.072 61 E HA -0.143 4.198 4.350 -0.015 0.000 0.191 61 E C 1.554 177.871 176.600 -0.472 0.000 0.985 61 E CA 0.978 57.168 56.400 -0.350 0.000 0.801 61 E CB -0.240 29.324 29.700 -0.228 0.000 0.750 61 E HN 0.308 nan 8.360 nan 0.000 0.452 62 D N 0.764 120.851 120.400 -0.522 0.000 2.117 62 D HA -0.142 4.489 4.640 -0.015 0.000 0.197 62 D C 2.042 177.832 176.300 -0.851 0.000 0.987 62 D CA 0.469 54.117 54.000 -0.587 0.000 0.829 62 D CB -0.319 40.266 40.800 -0.360 0.000 0.961 62 D HN 0.071 nan 8.370 nan 0.000 0.460 63 L N 1.213 121.689 121.223 -1.245 0.000 2.046 63 L HA -0.168 4.163 4.340 -0.015 0.000 0.208 63 L C 1.847 178.360 176.870 -0.595 0.000 1.077 63 L CA 1.793 56.008 54.840 -1.043 0.000 0.747 63 L CB -0.319 41.064 42.059 -1.125 0.000 0.896 63 L HN -0.120 nan 8.230 nan 0.000 0.432 64 K N -1.238 118.848 120.400 -0.524 0.000 2.044 64 K HA -0.214 4.098 4.320 -0.015 0.000 0.210 64 K C 2.120 178.491 176.600 -0.382 0.000 1.049 64 K CA 1.872 57.935 56.287 -0.373 0.000 0.927 64 K CB -0.653 31.655 32.500 -0.319 0.000 0.713 64 K HN 0.460 nan 8.250 nan 0.000 0.443 65 C N 0.809 119.770 119.300 -0.564 0.000 2.413 65 C HA -0.104 4.347 4.460 -0.015 0.000 0.276 65 C C 2.557 177.329 174.990 -0.363 0.000 1.236 65 C CA 0.466 59.015 59.018 -0.781 0.000 1.735 65 C CB -0.760 26.189 27.740 -1.318 0.000 2.031 65 C HN 0.406 nan 8.230 nan 0.000 0.474 66 I N 0.814 121.165 120.570 -0.366 0.000 2.163 66 I HA -0.243 3.919 4.170 -0.015 0.000 0.243 66 I C 2.541 178.582 176.117 -0.128 0.000 1.085 66 I CA 1.652 62.816 61.300 -0.226 0.000 1.347 66 I CB -0.411 37.374 38.000 -0.359 0.000 1.044 66 I HN 0.387 nan 8.210 nan 0.000 0.408 67 K N 0.279 120.578 120.400 -0.170 0.000 2.057 67 K HA -0.209 4.103 4.320 -0.015 0.000 0.207 67 K C 2.169 178.725 176.600 -0.072 0.000 1.049 67 K CA 1.314 57.533 56.287 -0.114 0.000 0.931 67 K CB -0.189 32.230 32.500 -0.135 0.000 0.714 67 K HN 0.389 nan 8.250 nan 0.000 0.440 68 Q N 0.633 120.397 119.800 -0.059 0.000 2.096 68 Q HA -0.130 4.201 4.340 -0.015 0.000 0.204 68 Q C 2.149 178.164 176.000 0.026 0.000 0.982 68 Q CA 1.224 57.031 55.803 0.006 0.000 0.850 68 Q CB -0.123 28.669 28.738 0.090 0.000 0.901 68 Q HN 0.320 nan 8.270 nan 0.000 0.422 69 L N -0.846 120.417 121.223 0.068 0.000 2.201 69 L HA -0.038 4.293 4.340 -0.015 0.000 0.212 69 L C 1.331 178.158 176.870 -0.071 0.000 1.105 69 L CA 0.726 55.586 54.840 0.032 0.000 0.775 69 L CB -0.437 41.707 42.059 0.141 0.000 0.913 69 L HN 0.484 nan 8.230 nan 0.000 0.440 70 G N 0.623 109.396 108.800 -0.046 0.000 2.176 70 G HA2 -0.273 3.678 3.960 -0.015 0.000 0.252 70 G HA3 -0.273 3.678 3.960 -0.015 0.000 0.252 70 G C 0.239 175.126 174.900 -0.021 0.000 1.024 70 G CA -0.233 44.835 45.100 -0.052 0.000 0.755 70 G HN 0.216 nan 8.290 nan 0.000 0.507 71 L N 0.180 121.419 121.223 0.026 0.000 2.543 71 L HA 0.140 4.471 4.340 -0.015 0.000 0.285 71 L C 2.243 179.185 176.870 0.120 0.000 1.236 71 L CA 0.938 55.849 54.840 0.118 0.000 0.871 71 L CB 0.264 42.438 42.059 0.192 0.000 1.121 71 L HN 0.501 nan 8.230 nan 0.000 0.501 72 T N -1.972 112.697 114.554 0.191 0.000 3.035 72 T HA 0.036 4.377 4.350 -0.015 0.000 0.259 72 T C 0.467 175.145 174.700 -0.036 0.000 1.078 72 T CA 0.387 62.556 62.100 0.115 0.000 1.132 72 T CB -0.006 68.993 68.868 0.218 0.000 0.900 72 T HN 0.623 nan 8.240 nan 0.000 0.480 73 H N -0.693 118.438 119.070 0.102 0.000 2.895 73 H HA 0.641 5.189 4.556 -0.015 0.000 0.373 73 H C -1.989 173.492 175.328 0.254 0.000 1.174 73 H CA -1.156 54.959 56.048 0.113 0.000 1.144 73 H CB 1.440 31.201 29.762 -0.002 0.000 1.793 73 H HN 0.212 nan 8.280 nan 0.000 0.551 74 Y N 1.089 121.537 120.300 0.247 0.000 2.386 74 Y HA 0.406 4.947 4.550 -0.015 0.000 0.334 74 Y C -0.939 175.150 175.900 0.315 0.000 1.002 74 Y CA -1.045 57.218 58.100 0.272 0.000 1.068 74 Y CB 1.287 39.908 38.460 0.268 0.000 1.203 74 Y HN 0.640 nan 8.280 nan 0.000 0.443 75 R N 7.092 127.452 120.500 -0.234 0.000 2.265 75 R HA 0.612 4.943 4.340 -0.015 0.000 0.319 75 R C -1.658 174.393 176.300 -0.415 0.000 1.006 75 R CA -0.335 55.626 56.100 -0.233 0.000 0.880 75 R CB 0.465 30.756 30.300 -0.015 0.000 1.077 75 R HN 0.629 nan 8.270 nan 0.000 0.454 76 F N 0.618 120.341 119.950 -0.378 0.000 2.664 76 F HA 0.618 5.136 4.527 -0.015 0.000 0.317 76 F C -1.056 174.734 175.800 -0.016 0.000 1.108 76 F CA -1.137 56.738 58.000 -0.208 0.000 0.957 76 F CB 1.419 40.314 39.000 -0.175 0.000 1.365 76 F HN 0.441 nan 8.300 nan 0.000 0.475 77 S N 1.461 117.259 115.700 0.163 0.000 2.621 77 S HA 0.778 5.240 4.470 -0.015 0.000 0.302 77 S C -1.098 173.596 174.600 0.157 0.000 1.093 77 S CA -0.843 57.418 58.200 0.101 0.000 1.017 77 S CB 1.532 64.868 63.200 0.226 0.000 1.077 77 S HN 0.812 nan 8.310 nan 0.000 0.517 78 L N 2.374 123.596 121.223 -0.001 0.000 2.292 78 L HA 0.460 4.791 4.340 -0.015 0.000 0.284 78 L C 0.574 177.589 176.870 0.242 0.000 1.065 78 L CA -0.620 54.093 54.840 -0.211 0.000 0.806 78 L CB 1.643 43.552 42.059 -0.249 0.000 1.175 78 L HN 0.819 nan 8.230 nan 0.000 0.431 79 S N 2.563 118.497 115.700 0.389 0.000 2.422 79 S HA 0.015 4.476 4.470 -0.015 0.000 0.283 79 S C 0.740 175.658 174.600 0.530 0.000 1.163 79 S CA -0.508 58.004 58.200 0.520 0.000 1.054 79 S CB 0.226 63.745 63.200 0.532 0.000 0.967 79 S HN 0.671 nan 8.310 nan 0.000 0.499 80 W N 4.827 126.270 121.300 0.237 0.000 2.335 80 W HA -0.171 4.481 4.660 -0.015 0.000 0.311 80 W C 2.308 178.823 176.519 -0.007 0.000 1.213 80 W CA 2.048 59.323 57.345 -0.117 0.000 1.274 80 W CB -1.235 27.967 29.460 -0.431 0.000 1.148 80 W HN 0.857 nan 8.180 nan 0.000 0.498 81 S N -0.160 115.723 115.700 0.305 0.000 2.453 81 S HA -0.141 4.320 4.470 -0.015 0.000 0.231 81 S C 2.020 176.746 174.600 0.210 0.000 1.005 81 S CA 1.095 59.394 58.200 0.165 0.000 0.949 81 S CB -0.479 62.790 63.200 0.114 0.000 0.774 81 S HN 0.379 nan 8.310 nan 0.000 0.510 82 R N 0.769 121.445 120.500 0.293 0.000 2.073 82 R HA 0.154 4.485 4.340 -0.015 0.000 0.229 82 R C 2.211 178.721 176.300 0.351 0.000 1.120 82 R CA 1.232 57.498 56.100 0.278 0.000 0.967 82 R CB -0.347 30.150 30.300 0.328 0.000 0.862 82 R HN 0.442 nan 8.270 nan 0.000 0.436 83 L N 0.235 121.734 121.223 0.459 0.000 2.044 83 L HA -0.006 4.325 4.340 -0.015 0.000 0.205 83 L C 0.589 177.644 176.870 0.308 0.000 1.075 83 L CA 0.831 55.966 54.840 0.491 0.000 0.747 83 L CB 0.123 42.593 42.059 0.684 0.000 0.903 83 L HN 0.140 nan 8.230 nan 0.000 0.435 84 L N -0.368 121.011 121.223 0.260 0.000 2.433 84 L HA 0.253 4.584 4.340 -0.015 0.000 0.256 84 L C -1.871 175.080 176.870 0.134 0.000 1.063 84 L CA -1.416 53.522 54.840 0.163 0.000 0.922 84 L CB 1.244 43.372 42.059 0.115 0.000 1.238 84 L HN -0.192 nan 8.230 nan 0.000 0.466 85 P HA -0.208 nan 4.420 nan 0.000 0.217 85 P C 0.759 178.023 177.300 -0.060 0.000 1.148 85 P CA 1.351 64.454 63.100 0.005 0.000 0.828 85 P CB 0.149 31.794 31.700 -0.092 0.000 0.783 86 D N -2.811 117.555 120.400 -0.057 0.000 2.363 86 D HA 0.143 4.774 4.640 -0.015 0.000 0.214 86 D C 1.374 177.610 176.300 -0.106 0.000 1.093 86 D CA 0.322 54.270 54.000 -0.086 0.000 0.837 86 D CB -0.644 40.111 40.800 -0.076 0.000 0.948 86 D HN 0.196 nan 8.370 nan 0.000 0.507 87 G N -0.082 108.660 108.800 -0.096 0.000 2.225 87 G HA2 -0.251 3.700 3.960 -0.015 0.000 0.254 87 G HA3 -0.251 3.700 3.960 -0.015 0.000 0.254 87 G C 0.473 175.473 174.900 0.166 0.000 0.988 87 G CA 0.639 45.664 45.100 -0.125 0.000 0.625 87 G HN 0.911 nan 8.290 nan 0.000 0.527 88 T N -2.589 112.014 114.554 0.081 0.000 2.942 88 T HA 0.619 4.960 4.350 -0.015 0.000 0.289 88 T C 1.316 176.024 174.700 0.014 0.000 1.044 88 T CA 0.899 63.041 62.100 0.072 0.000 1.023 88 T CB 1.605 70.500 68.868 0.045 0.000 1.123 88 T HN 0.902 nan 8.240 nan 0.000 0.512 89 T N -1.772 112.763 114.554 -0.031 0.000 3.215 89 T HA 0.200 4.541 4.350 -0.015 0.000 0.254 89 T C 2.092 176.786 174.700 -0.009 0.000 1.149 89 T CA 0.459 62.502 62.100 -0.097 0.000 1.042 89 T CB -0.803 68.014 68.868 -0.085 0.000 0.966 89 T HN 0.862 nan 8.240 nan 0.000 0.534 90 G N 0.599 109.423 108.800 0.041 0.000 2.448 90 G HA2 0.050 4.001 3.960 -0.015 0.000 0.219 90 G HA3 0.050 4.001 3.960 -0.015 0.000 0.219 90 G C 0.082 175.060 174.900 0.130 0.000 1.127 90 G CA 0.079 45.223 45.100 0.073 0.000 0.766 90 G HN 0.620 nan 8.290 nan 0.000 0.552 91 F N 0.222 120.159 119.950 -0.022 0.000 2.617 91 F HA 0.604 5.122 4.527 -0.015 0.000 0.325 91 F C -1.063 174.727 175.800 -0.017 0.000 1.179 91 F CA -1.293 56.702 58.000 -0.007 0.000 0.965 91 F CB 1.493 40.492 39.000 -0.000 0.000 1.232 91 F HN -0.198 nan 8.300 nan 0.000 0.461 92 I N 4.963 125.428 120.570 -0.176 0.000 2.354 92 I HA 0.245 4.407 4.170 -0.015 0.000 0.292 92 I C -0.494 175.626 176.117 0.005 0.000 0.989 92 I CA -0.859 60.429 61.300 -0.020 0.000 1.188 92 I CB 1.516 39.518 38.000 0.005 0.000 1.342 92 I HN 0.507 nan 8.210 nan 0.000 0.457 93 N N 5.037 123.880 118.700 0.238 0.000 2.439 93 N HA 0.018 4.749 4.740 -0.015 0.000 0.243 93 N C 0.660 176.315 175.510 0.242 0.000 1.088 93 N CA 0.049 53.262 53.050 0.272 0.000 0.940 93 N CB 0.955 39.634 38.487 0.320 0.000 1.180 93 N HN 0.484 nan 8.380 nan 0.000 0.505 94 Q N 3.625 123.523 119.800 0.162 0.000 2.170 94 Q HA -0.055 4.276 4.340 -0.015 0.000 0.203 94 Q C 0.991 177.111 176.000 0.201 0.000 0.976 94 Q CA 1.740 57.642 55.803 0.165 0.000 0.858 94 Q CB 0.150 28.944 28.738 0.094 0.000 0.907 94 Q HN 0.579 nan 8.270 nan 0.000 0.433 95 K N -1.081 119.440 120.400 0.201 0.000 2.148 95 K HA -0.045 4.266 4.320 -0.015 0.000 0.204 95 K C 1.916 178.697 176.600 0.302 0.000 1.050 95 K CA 0.917 57.335 56.287 0.219 0.000 0.942 95 K CB -0.314 32.309 32.500 0.204 0.000 0.724 95 K HN 0.385 nan 8.250 nan 0.000 0.446 96 G N 1.768 110.775 108.800 0.344 0.000 2.433 96 G HA2 -0.236 3.715 3.960 -0.015 0.000 0.216 96 G HA3 -0.236 3.715 3.960 -0.015 0.000 0.216 96 G C 1.505 176.741 174.900 0.560 0.000 1.186 96 G CA 0.669 46.039 45.100 0.451 0.000 0.779 96 G HN 0.123 nan 8.290 nan 0.000 0.543 97 I N 1.087 121.972 120.570 0.526 0.000 2.163 97 I HA -0.171 3.991 4.170 -0.015 0.000 0.243 97 I C 2.368 178.740 176.117 0.425 0.000 1.085 97 I CA 1.372 63.003 61.300 0.552 0.000 1.347 97 I CB -0.288 37.909 38.000 0.328 0.000 1.044 97 I HN 0.070 nan 8.210 nan 0.000 0.408 98 D N 0.147 120.713 120.400 0.276 0.000 2.123 98 D HA -0.257 4.374 4.640 -0.015 0.000 0.196 98 D C 1.912 178.282 176.300 0.116 0.000 0.992 98 D CA 1.479 55.584 54.000 0.174 0.000 0.833 98 D CB -0.542 40.337 40.800 0.131 0.000 0.954 98 D HN 0.426 nan 8.370 nan 0.000 0.455 99 Y N 0.294 120.578 120.300 -0.026 0.000 2.097 99 Y HA -0.361 4.180 4.550 -0.015 0.000 0.282 99 Y C 2.163 177.862 175.900 -0.335 0.000 1.152 99 Y CA 1.708 59.662 58.100 -0.244 0.000 1.136 99 Y CB -0.366 37.910 38.460 -0.305 0.000 0.975 99 Y HN -0.046 nan 8.280 nan 0.000 0.498 100 Y N 0.158 120.398 120.300 -0.100 0.000 2.314 100 Y HA -0.180 4.361 4.550 -0.015 0.000 0.293 100 Y C 2.367 178.107 175.900 -0.267 0.000 1.129 100 Y CA 1.251 59.157 58.100 -0.324 0.000 1.201 100 Y CB -0.792 37.522 38.460 -0.244 0.000 0.999 100 Y HN 0.215 nan 8.280 nan 0.000 0.541 101 N N 0.357 119.156 118.700 0.166 0.000 2.166 101 N HA -0.157 4.574 4.740 -0.015 0.000 0.186 101 N C 1.861 177.336 175.510 -0.058 0.000 1.019 101 N CA 1.137 54.277 53.050 0.149 0.000 0.856 101 N CB -0.171 38.449 38.487 0.222 0.000 0.993 101 N HN 0.191 nan 8.380 nan 0.000 0.426 102 K N 1.434 121.723 120.400 -0.185 0.000 2.057 102 K HA 0.088 4.399 4.320 -0.015 0.000 0.206 102 K C 1.914 178.228 176.600 -0.477 0.000 1.050 102 K CA 0.764 56.902 56.287 -0.249 0.000 0.935 102 K CB -0.410 31.959 32.500 -0.219 0.000 0.715 102 K HN 0.136 nan 8.250 nan 0.000 0.439 103 I N 0.255 120.255 120.570 -0.950 0.000 2.127 103 I HA -0.298 3.863 4.170 -0.015 0.000 0.241 103 I C 2.191 177.958 176.117 -0.583 0.000 1.075 103 I CA 1.478 61.944 61.300 -1.391 0.000 1.334 103 I CB -0.295 36.636 38.000 -1.781 0.000 1.040 103 I HN 0.111 nan 8.210 nan 0.000 0.405 104 I N 0.630 121.006 120.570 -0.323 0.000 2.179 104 I HA -0.305 3.856 4.170 -0.015 0.000 0.242 104 I C 2.100 178.203 176.117 -0.023 0.000 1.088 104 I CA 1.456 62.713 61.300 -0.071 0.000 1.357 104 I CB -0.474 37.542 38.000 0.028 0.000 1.051 104 I HN 0.227 nan 8.210 nan 0.000 0.409 105 D N 0.637 121.020 120.400 -0.028 0.000 2.144 105 D HA -0.166 4.465 4.640 -0.015 0.000 0.200 105 D C 1.772 178.092 176.300 0.033 0.000 0.978 105 D CA 1.188 55.195 54.000 0.012 0.000 0.833 105 D CB -0.360 40.450 40.800 0.015 0.000 0.961 105 D HN 0.288 nan 8.370 nan 0.000 0.470 106 D N 0.146 120.579 120.400 0.056 0.000 2.117 106 D HA -0.045 4.587 4.640 -0.015 0.000 0.198 106 D C 2.365 178.745 176.300 0.133 0.000 0.982 106 D CA 0.275 54.361 54.000 0.143 0.000 0.828 106 D CB -0.215 40.806 40.800 0.369 0.000 0.967 106 D HN 0.198 nan 8.370 nan 0.000 0.464 107 L N 0.170 121.476 121.223 0.138 0.000 1.994 107 L HA -0.155 4.177 4.340 -0.015 0.000 0.208 107 L C 2.535 179.441 176.870 0.060 0.000 1.071 107 L CA 0.831 55.742 54.840 0.120 0.000 0.745 107 L CB -0.401 41.744 42.059 0.144 0.000 0.892 107 L HN 0.059 nan 8.230 nan 0.000 0.431 108 L N 0.162 121.411 121.223 0.043 0.000 2.083 108 L HA -0.216 4.115 4.340 -0.015 0.000 0.209 108 L C 2.655 179.534 176.870 0.015 0.000 1.083 108 L CA 1.512 56.364 54.840 0.021 0.000 0.752 108 L CB -0.577 41.493 42.059 0.019 0.000 0.899 108 L HN 0.377 nan 8.230 nan 0.000 0.433 109 K N -0.636 119.777 120.400 0.022 0.000 2.362 109 K HA -0.107 4.204 4.320 -0.015 0.000 0.200 109 K C 1.132 177.735 176.600 0.005 0.000 1.046 109 K CA 1.234 57.529 56.287 0.013 0.000 0.952 109 K CB -0.103 32.407 32.500 0.016 0.000 0.753 109 K HN 0.297 nan 8.250 nan 0.000 0.466 110 N N 0.526 119.230 118.700 0.006 0.000 2.214 110 N HA 0.060 4.791 4.740 -0.015 0.000 0.214 110 N C 0.167 175.671 175.510 -0.010 0.000 1.132 110 N CA 0.720 53.766 53.050 -0.007 0.000 0.856 110 N CB 1.234 39.712 38.487 -0.015 0.000 1.020 110 N HN 0.512 nan 8.380 nan 0.000 0.509 111 G N 0.773 109.568 108.800 -0.009 0.000 2.160 111 G HA2 -0.257 3.694 3.960 -0.015 0.000 0.251 111 G HA3 -0.257 3.694 3.960 -0.015 0.000 0.251 111 G C -0.068 174.810 174.900 -0.037 0.000 1.008 111 G CA 0.221 45.308 45.100 -0.021 0.000 0.724 111 G HN 0.174 nan 8.290 nan 0.000 0.514 112 V N 0.827 120.730 119.914 -0.019 0.000 2.394 112 V HA 0.563 4.675 4.120 -0.015 0.000 0.282 112 V C 0.735 176.809 176.094 -0.034 0.000 1.031 112 V CA -0.254 62.035 62.300 -0.018 0.000 0.881 112 V CB 1.726 33.582 31.823 0.055 0.000 0.982 112 V HN 0.272 nan 8.190 nan 0.000 0.451 113 T N 8.119 122.577 114.554 -0.161 0.000 2.749 113 T HA 0.297 4.638 4.350 -0.015 0.000 0.295 113 T C -2.395 172.315 174.700 0.017 0.000 0.936 113 T CA -0.832 61.171 62.100 -0.162 0.000 1.060 113 T CB 1.072 69.675 68.868 -0.442 0.000 0.904 113 T HN 0.506 nan 8.240 nan 0.000 0.500 114 P HA 0.342 nan 4.420 nan 0.000 0.276 114 P C -0.760 176.517 177.300 -0.039 0.000 1.230 114 P CA -0.324 62.846 63.100 0.117 0.000 0.776 114 P CB 0.645 32.429 31.700 0.139 0.000 0.888 115 I N 3.198 123.734 120.570 -0.056 0.000 2.382 115 I HA 0.267 4.428 4.170 -0.015 0.000 0.285 115 I C -0.251 175.664 176.117 -0.336 0.000 1.007 115 I CA -0.983 60.243 61.300 -0.124 0.000 1.142 115 I CB 1.912 39.939 38.000 0.046 0.000 1.289 115 I HN -0.026 nan 8.210 nan 0.000 0.453 116 V N 4.979 124.623 119.914 -0.451 0.000 2.384 116 V HA 0.335 4.446 4.120 -0.015 0.000 0.287 116 V C 0.237 176.232 176.094 -0.165 0.000 1.020 116 V CA -0.456 61.479 62.300 -0.609 0.000 0.850 116 V CB 1.789 33.130 31.823 -0.803 0.000 0.987 116 V HN 0.677 nan 8.190 nan 0.000 0.436 117 T N 6.359 120.828 114.554 -0.142 0.000 2.771 117 T HA 0.396 4.737 4.350 -0.015 0.000 0.291 117 T C 1.313 176.096 174.700 0.139 0.000 0.954 117 T CA -0.312 61.837 62.100 0.083 0.000 1.045 117 T CB 1.149 70.108 68.868 0.151 0.000 0.917 117 T HN 0.422 nan 8.240 nan 0.000 0.484 118 L N 2.185 123.545 121.223 0.228 0.000 2.109 118 L HA 0.135 4.466 4.340 -0.015 0.000 0.207 118 L C 0.491 177.693 176.870 0.553 0.000 1.086 118 L CA 1.027 56.000 54.840 0.222 0.000 0.760 118 L CB -0.045 42.019 42.059 0.009 0.000 0.910 118 L HN 0.656 nan 8.230 nan 0.000 0.437 119 Y N -0.734 119.830 120.300 0.440 0.000 2.330 119 Y HA 0.326 4.867 4.550 -0.015 0.000 0.324 119 Y C -0.850 175.291 175.900 0.402 0.000 1.093 119 Y CA -0.967 57.472 58.100 0.564 0.000 1.103 119 Y CB 0.988 39.928 38.460 0.802 0.000 1.183 119 Y HN -0.015 nan 8.280 nan 0.000 0.433 120 H N 7.862 126.879 119.070 -0.088 0.000 2.380 120 H HA 0.275 4.823 4.556 -0.015 0.000 0.231 120 H C -0.679 174.526 175.328 -0.205 0.000 1.415 120 H CA -0.586 55.294 56.048 -0.281 0.000 1.433 120 H CB -0.132 29.601 29.762 -0.047 0.000 1.544 120 H HN 0.774 nan 8.280 nan 0.000 0.503 121 F N 0.768 120.474 119.950 -0.407 0.000 2.914 121 F HA -0.275 4.243 4.527 -0.014 0.000 0.304 121 F C 0.053 175.962 175.800 0.181 0.000 0.712 121 F CA 1.221 59.102 58.000 -0.198 0.000 1.211 121 F CB -1.977 36.776 39.000 -0.411 0.000 1.515 121 F HN 0.619 nan 8.300 nan 0.000 0.350 122 D N -0.044 120.687 120.400 0.552 0.000 2.943 122 D HA 0.429 5.060 4.640 -0.015 0.000 0.347 122 D C 0.039 176.707 176.300 0.613 0.000 1.305 122 D CA -0.465 53.907 54.000 0.620 0.000 0.870 122 D CB -0.022 41.131 40.800 0.588 0.000 1.081 122 D HN 0.119 nan 8.370 nan 0.000 0.492 123 L N 1.178 122.742 121.223 0.568 0.000 2.485 123 L HA 0.254 4.585 4.340 -0.015 0.000 0.275 123 L C -2.204 174.619 176.870 -0.078 0.000 1.207 123 L CA -1.191 53.741 54.840 0.153 0.000 0.855 123 L CB 0.205 42.300 42.059 0.060 0.000 1.114 123 L HN 0.016 nan 8.230 nan 0.000 0.485 124 P HA -0.016 nan 4.420 nan 0.000 0.265 124 P C -0.183 176.978 177.300 -0.231 0.000 1.193 124 P CA 0.026 62.941 63.100 -0.309 0.000 0.765 124 P CB 0.535 31.899 31.700 -0.560 0.000 0.823 125 Q N 3.122 122.851 119.800 -0.119 0.000 2.124 125 Q HA -0.183 4.148 4.340 -0.015 0.000 0.202 125 Q C 1.736 177.662 176.000 -0.122 0.000 0.977 125 Q CA 2.702 58.449 55.803 -0.094 0.000 0.850 125 Q CB -1.312 27.404 28.738 -0.036 0.000 0.901 125 Q HN 0.610 nan 8.270 nan 0.000 0.429 126 T N -1.372 113.098 114.554 -0.140 0.000 2.699 126 T HA -0.200 4.142 4.350 -0.015 0.000 0.268 126 T C 1.777 176.371 174.700 -0.176 0.000 1.036 126 T CA 1.681 63.697 62.100 -0.140 0.000 1.147 126 T CB -0.555 68.229 68.868 -0.140 0.000 0.862 126 T HN 0.327 nan 8.240 nan 0.000 0.446 127 L N 0.379 121.440 121.223 -0.269 0.000 2.156 127 L HA 0.089 4.420 4.340 -0.015 0.000 0.208 127 L C 3.008 179.726 176.870 -0.254 0.000 1.095 127 L CA 1.364 56.015 54.840 -0.315 0.000 0.770 127 L CB -0.562 41.179 42.059 -0.531 0.000 0.914 127 L HN 0.289 nan 8.230 nan 0.000 0.439 128 E N 0.733 120.811 120.200 -0.203 0.000 2.072 128 E HA -0.220 4.121 4.350 -0.015 0.000 0.191 128 E C 1.663 178.217 176.600 -0.077 0.000 0.985 128 E CA 1.321 57.654 56.400 -0.111 0.000 0.801 128 E CB 0.024 29.678 29.700 -0.076 0.000 0.750 128 E HN 0.306 nan 8.360 nan 0.000 0.452 129 D N 0.194 120.544 120.400 -0.084 0.000 2.221 129 D HA -0.151 4.480 4.640 -0.015 0.000 0.204 129 D C 1.184 177.446 176.300 -0.063 0.000 0.982 129 D CA 0.904 54.868 54.000 -0.061 0.000 0.857 129 D CB -0.137 40.628 40.800 -0.058 0.000 0.934 129 D HN 0.382 nan 8.370 nan 0.000 0.475 130 Q N -0.933 118.813 119.800 -0.090 0.000 2.365 130 Q HA 0.295 4.626 4.340 -0.015 0.000 0.203 130 Q C 1.025 176.972 176.000 -0.089 0.000 0.929 130 Q CA 0.406 56.157 55.803 -0.087 0.000 0.948 130 Q CB 0.805 29.481 28.738 -0.104 0.000 1.043 130 Q HN 0.320 nan 8.270 nan 0.000 0.505 131 G N -1.017 107.735 108.800 -0.079 0.000 2.296 131 G HA2 -0.168 3.783 3.960 -0.015 0.000 0.188 131 G HA3 -0.168 3.783 3.960 -0.015 0.000 0.188 131 G C 0.640 175.497 174.900 -0.072 0.000 1.000 131 G CA -0.376 44.686 45.100 -0.064 0.000 0.672 131 G HN 0.650 nan 8.290 nan 0.000 0.483 132 G N -0.119 108.600 108.800 -0.136 0.000 2.627 132 G HA2 -0.329 3.622 3.960 -0.015 0.000 0.312 132 G HA3 -0.329 3.622 3.960 -0.015 0.000 0.312 132 G C 0.793 175.473 174.900 -0.366 0.000 1.299 132 G CA 1.088 46.065 45.100 -0.205 0.000 0.989 132 G HN 1.050 nan 8.290 nan 0.000 0.547 133 W N 0.702 121.902 121.300 -0.167 0.000 3.077 133 W HA 0.438 5.089 4.660 -0.015 0.000 0.245 133 W C 2.314 178.594 176.519 -0.398 0.000 1.316 133 W CA 0.030 57.184 57.345 -0.318 0.000 1.537 133 W CB -0.103 29.136 29.460 -0.368 0.000 1.131 133 W HN 0.265 nan 8.180 nan 0.000 0.695 134 L N -0.291 120.789 121.223 -0.239 0.000 2.509 134 L HA 0.105 4.436 4.340 -0.015 0.000 0.222 134 L C 1.283 178.105 176.870 -0.080 0.000 1.123 134 L CA 0.351 55.090 54.840 -0.169 0.000 0.856 134 L CB -0.260 41.711 42.059 -0.148 0.000 0.985 134 L HN -0.225 nan 8.230 nan 0.000 0.456 135 S N -0.916 114.739 115.700 -0.075 0.000 2.532 135 S HA 0.177 4.639 4.470 -0.015 0.000 0.301 135 S C 0.751 175.335 174.600 -0.027 0.000 1.083 135 S CA -0.657 57.514 58.200 -0.050 0.000 1.025 135 S CB 2.158 65.319 63.200 -0.065 0.000 1.056 135 S HN 0.205 nan 8.310 nan 0.000 0.494 136 E N 2.525 122.727 120.200 0.004 0.000 2.204 136 E HA -0.100 4.241 4.350 -0.015 0.000 0.195 136 E C 1.984 178.594 176.600 0.017 0.000 0.990 136 E CA 1.210 57.630 56.400 0.034 0.000 0.821 136 E CB -0.260 29.466 29.700 0.042 0.000 0.750 136 E HN 0.810 nan 8.360 nan 0.000 0.477 137 A N 0.781 123.591 122.820 -0.017 0.000 2.024 137 A HA -0.196 4.115 4.320 -0.015 0.000 0.220 137 A C 2.067 179.626 177.584 -0.042 0.000 1.164 137 A CA 1.044 53.067 52.037 -0.023 0.000 0.643 137 A CB -0.463 18.512 19.000 -0.042 0.000 0.806 137 A HN 0.366 nan 8.150 nan 0.000 0.451 138 I N 0.016 120.516 120.570 -0.116 0.000 2.423 138 I HA -0.218 3.944 4.170 -0.015 0.000 0.254 138 I C 2.023 178.117 176.117 -0.039 0.000 1.151 138 I CA 0.993 62.151 61.300 -0.237 0.000 1.421 138 I CB -0.229 37.387 38.000 -0.640 0.000 1.079 138 I HN 0.401 nan 8.210 nan 0.000 0.431 139 I N -0.055 120.560 120.570 0.076 0.000 2.142 139 I HA -0.288 3.873 4.170 -0.015 0.000 0.240 139 I C 2.468 178.715 176.117 0.218 0.000 1.078 139 I CA 1.690 63.113 61.300 0.205 0.000 1.343 139 I CB -0.518 37.591 38.000 0.181 0.000 1.046 139 I HN 0.276 nan 8.210 nan 0.000 0.405 140 E N 0.667 120.952 120.200 0.141 0.000 2.106 140 E HA -0.177 4.165 4.350 -0.015 0.000 0.192 140 E C 2.267 178.953 176.600 0.144 0.000 0.984 140 E CA 1.318 57.793 56.400 0.125 0.000 0.806 140 E CB 0.149 29.898 29.700 0.082 0.000 0.750 140 E HN 0.357 nan 8.360 nan 0.000 0.458 141 S N 0.296 116.088 115.700 0.154 0.000 2.359 141 S HA -0.172 4.289 4.470 -0.015 0.000 0.224 141 S C 1.526 176.339 174.600 0.356 0.000 1.035 141 S CA 1.247 59.582 58.200 0.225 0.000 1.018 141 S CB -0.434 62.866 63.200 0.166 0.000 0.876 141 S HN 0.377 nan 8.310 nan 0.000 0.448 142 F N 2.386 122.476 119.950 0.234 0.000 2.146 142 F HA -0.112 4.406 4.527 -0.014 0.000 0.298 142 F C 2.078 177.907 175.800 0.048 0.000 1.096 142 F CA 1.666 59.769 58.000 0.172 0.000 1.275 142 F CB -0.547 38.635 39.000 0.303 0.000 1.008 142 F HN 0.143 nan 8.300 nan 0.000 0.480 143 D N 0.002 120.484 120.400 0.135 0.000 2.123 143 D HA -0.199 4.432 4.640 -0.015 0.000 0.196 143 D C 2.093 178.331 176.300 -0.104 0.000 0.992 143 D CA 1.657 55.664 54.000 0.012 0.000 0.833 143 D CB -0.101 40.777 40.800 0.130 0.000 0.954 143 D HN 0.262 nan 8.370 nan 0.000 0.455 144 K N -1.090 119.299 120.400 -0.020 0.000 2.097 144 K HA -0.173 4.138 4.320 -0.015 0.000 0.206 144 K C 2.208 178.767 176.600 -0.069 0.000 1.049 144 K CA 1.097 57.380 56.287 -0.006 0.000 0.933 144 K CB -0.380 32.155 32.500 0.058 0.000 0.717 144 K HN 0.354 nan 8.250 nan 0.000 0.442 145 Y N 1.238 121.342 120.300 -0.326 0.000 2.145 145 Y HA -0.294 4.247 4.550 -0.015 0.000 0.286 145 Y C 2.239 177.755 175.900 -0.640 0.000 1.145 145 Y CA 1.405 59.183 58.100 -0.536 0.000 1.148 145 Y CB -0.131 37.648 38.460 -1.136 0.000 0.981 145 Y HN 0.054 nan 8.280 nan 0.000 0.507 146 A N 0.577 122.735 122.820 -1.104 0.000 1.883 146 A HA -0.288 4.023 4.320 -0.015 0.000 0.217 146 A C 2.088 178.839 177.584 -1.389 0.000 1.186 146 A CA 2.125 53.284 52.037 -1.463 0.000 0.624 146 A CB -0.892 17.382 19.000 -1.210 0.000 0.822 146 A HN 0.700 nan 8.150 nan 0.000 0.444 147 Q N -1.871 117.558 119.800 -0.617 0.000 2.084 147 Q HA -0.184 4.147 4.340 -0.015 0.000 0.202 147 Q C 1.957 177.792 176.000 -0.276 0.000 0.978 147 Q CA 1.645 57.318 55.803 -0.216 0.000 0.844 147 Q CB -0.352 28.454 28.738 0.113 0.000 0.898 147 Q HN 0.776 nan 8.270 nan 0.000 0.426 148 F N 0.734 120.467 119.950 -0.362 0.000 2.126 148 F HA -0.286 4.232 4.527 -0.015 0.000 0.299 148 F C 2.097 177.655 175.800 -0.402 0.000 1.096 148 F CA 1.326 59.157 58.000 -0.282 0.000 1.255 148 F CB -0.447 38.452 39.000 -0.168 0.000 0.997 148 F HN 0.064 nan 8.300 nan 0.000 0.479 149 C N 0.351 119.217 119.300 -0.723 0.000 2.453 149 C HA -0.146 4.305 4.460 -0.015 0.000 0.277 149 C C 2.634 177.278 174.990 -0.578 0.000 1.262 149 C CA 0.723 59.341 59.018 -0.667 0.000 1.718 149 C CB -1.663 25.607 27.740 -0.783 0.000 2.031 149 C HN 0.505 nan 8.230 nan 0.000 0.480 150 F N 1.290 120.709 119.950 -0.885 0.000 2.095 150 F HA -0.154 4.364 4.527 -0.015 0.000 0.298 150 F C 2.827 178.113 175.800 -0.856 0.000 1.104 150 F CA 1.731 59.107 58.000 -1.040 0.000 1.232 150 F CB -1.590 36.443 39.000 -1.612 0.000 0.987 150 F HN 0.181 nan 8.300 nan 0.000 0.475 151 S N -0.756 114.551 115.700 -0.655 0.000 2.368 151 S HA -0.162 4.299 4.470 -0.015 0.000 0.225 151 S C 2.081 176.505 174.600 -0.294 0.000 1.030 151 S CA 2.020 60.069 58.200 -0.251 0.000 0.999 151 S CB -0.478 62.694 63.200 -0.046 0.000 0.844 151 S HN 0.422 nan 8.310 nan 0.000 0.459 152 T N 0.342 114.540 114.554 -0.593 0.000 2.896 152 T HA 0.138 4.479 4.350 -0.015 0.000 0.263 152 T C 0.863 175.156 174.700 -0.678 0.000 1.050 152 T CA 1.047 62.644 62.100 -0.837 0.000 1.140 152 T CB -0.213 67.712 68.868 -1.572 0.000 0.877 152 T HN 0.483 nan 8.240 nan 0.000 0.457 153 F N 0.034 119.970 119.950 -0.023 0.000 2.752 153 F HA 0.429 4.948 4.527 -0.015 0.000 0.310 153 F C 2.259 178.176 175.800 0.195 0.000 1.097 153 F CA -0.748 57.315 58.000 0.106 0.000 1.238 153 F CB -0.384 38.720 39.000 0.174 0.000 1.061 153 F HN 0.137 nan 8.300 nan 0.000 0.591 154 G N 0.489 109.542 108.800 0.423 0.000 2.679 154 G HA2 -0.167 3.784 3.960 -0.015 0.000 0.212 154 G HA3 -0.167 3.784 3.960 -0.015 0.000 0.212 154 G C 1.311 176.372 174.900 0.268 0.000 1.137 154 G CA 0.898 46.298 45.100 0.501 0.000 0.787 154 G HN 0.420 nan 8.290 nan 0.000 0.534 155 D N 0.425 120.929 120.400 0.174 0.000 2.264 155 D HA -0.071 4.560 4.640 -0.015 0.000 0.208 155 D C 2.090 178.451 176.300 0.102 0.000 0.966 155 D CA 0.579 54.650 54.000 0.118 0.000 0.864 155 D CB -0.073 40.775 40.800 0.080 0.000 0.933 155 D HN 0.355 nan 8.370 nan 0.000 0.499 156 R N -0.350 120.219 120.500 0.114 0.000 2.276 156 R HA 0.237 4.568 4.340 -0.015 0.000 0.195 156 R C 0.213 176.522 176.300 0.014 0.000 0.908 156 R CA -0.075 56.066 56.100 0.068 0.000 1.083 156 R CB 1.136 31.482 30.300 0.077 0.000 1.182 156 R HN -0.060 nan 8.270 nan 0.000 0.608 157 V N 2.933 122.838 119.914 -0.015 0.000 2.461 157 V HA 0.124 4.235 4.120 -0.015 0.000 0.275 157 V C 0.480 176.408 176.094 -0.276 0.000 1.047 157 V CA 0.172 62.302 62.300 -0.284 0.000 0.955 157 V CB 1.524 32.933 31.823 -0.689 0.000 0.988 157 V HN 0.171 nan 8.190 nan 0.000 0.471 158 K N 3.236 123.466 120.400 -0.284 0.000 2.402 158 K HA 0.304 4.615 4.320 -0.015 0.000 0.204 158 K C -0.016 176.456 176.600 -0.213 0.000 1.056 158 K CA 0.001 56.207 56.287 -0.136 0.000 1.069 158 K CB 1.079 33.571 32.500 -0.014 0.000 0.888 158 K HN 0.627 nan 8.250 nan 0.000 0.546 159 Q N -0.108 119.435 119.800 -0.429 0.000 2.290 159 Q HA 0.350 4.681 4.340 -0.015 0.000 0.269 159 Q C -1.649 174.163 176.000 -0.313 0.000 1.016 159 Q CA -0.275 55.385 55.803 -0.239 0.000 0.754 159 Q CB 1.562 30.246 28.738 -0.090 0.000 1.247 159 Q HN 0.027 nan 8.270 nan 0.000 0.451 160 W N 3.584 124.931 121.300 0.078 0.000 2.702 160 W HA 0.609 5.260 4.660 -0.015 0.000 0.331 160 W C -0.696 175.900 176.519 0.129 0.000 1.049 160 W CA -0.683 56.699 57.345 0.063 0.000 1.230 160 W CB 1.353 30.829 29.460 0.028 0.000 1.408 160 W HN 0.328 nan 8.180 nan 0.000 0.492 161 I N 3.312 124.088 120.570 0.344 0.000 2.354 161 I HA 0.097 4.258 4.170 -0.015 0.000 0.286 161 I C 1.419 177.692 176.117 0.261 0.000 1.007 161 I CA -0.546 60.888 61.300 0.223 0.000 1.167 161 I CB 0.870 38.956 38.000 0.142 0.000 1.320 161 I HN 0.683 nan 8.210 nan 0.000 0.458 162 T N 4.776 119.507 114.554 0.296 0.000 2.701 162 T HA 0.094 4.435 4.350 -0.015 0.000 0.263 162 T C 0.807 175.791 174.700 0.473 0.000 1.040 162 T CA 1.056 63.418 62.100 0.436 0.000 1.147 162 T CB 0.095 69.321 68.868 0.597 0.000 0.865 162 T HN 0.390 nan 8.240 nan 0.000 0.426 163 I N 1.908 122.627 120.570 0.249 0.000 2.478 163 I HA 0.300 4.461 4.170 -0.015 0.000 0.287 163 I C -0.385 175.677 176.117 -0.093 0.000 1.042 163 I CA -0.874 60.503 61.300 0.128 0.000 1.067 163 I CB 1.910 39.906 38.000 -0.007 0.000 1.233 163 I HN 0.253 nan 8.210 nan 0.000 0.431 164 N N 6.856 125.407 118.700 -0.248 0.000 2.452 164 N HA -0.006 4.725 4.740 -0.015 0.000 0.266 164 N C -0.261 175.017 175.510 -0.387 0.000 1.209 164 N CA 0.266 53.025 53.050 -0.485 0.000 0.929 164 N CB 0.585 38.360 38.487 -1.186 0.000 1.063 164 N HN 0.654 nan 8.380 nan 0.000 0.472 165 E N 1.683 121.725 120.200 -0.263 0.000 2.160 165 E HA -0.274 4.068 4.350 -0.015 0.000 0.180 165 E C 0.869 177.352 176.600 -0.195 0.000 1.452 165 E CA 0.238 56.544 56.400 -0.156 0.000 0.683 165 E CB -1.099 28.603 29.700 0.002 0.000 1.072 165 E HN 0.696 nan 8.360 nan 0.000 0.332 166 A N 2.176 124.772 122.820 -0.373 0.000 1.986 166 A HA -0.332 3.979 4.320 -0.015 0.000 0.220 166 A C 1.972 179.152 177.584 -0.673 0.000 1.171 166 A CA 2.035 53.784 52.037 -0.479 0.000 0.640 166 A CB -0.364 18.341 19.000 -0.492 0.000 0.811 166 A HN 0.667 nan 8.150 nan 0.000 0.451 167 N N 0.435 118.568 118.700 -0.946 0.000 2.106 167 N HA -0.113 4.618 4.740 -0.015 0.000 0.188 167 N C 1.417 176.764 175.510 -0.272 0.000 1.029 167 N CA 2.007 54.662 53.050 -0.658 0.000 0.848 167 N CB -1.215 37.009 38.487 -0.437 0.000 1.007 167 N HN 0.234 nan 8.380 nan 0.000 0.423 168 V N 0.939 120.675 119.914 -0.296 0.000 2.358 168 V HA -0.134 3.977 4.120 -0.015 0.000 0.246 168 V C 2.517 178.306 176.094 -0.508 0.000 1.047 168 V CA 1.237 63.278 62.300 -0.432 0.000 1.035 168 V CB -0.761 30.761 31.823 -0.503 0.000 0.658 168 V HN 0.241 nan 8.190 nan 0.000 0.452 169 L N 1.211 122.193 121.223 -0.402 0.000 2.012 169 L HA -0.177 4.154 4.340 -0.015 0.000 0.210 169 L C 2.757 179.521 176.870 -0.178 0.000 1.073 169 L CA 2.633 57.243 54.840 -0.384 0.000 0.748 169 L CB -0.847 41.115 42.059 -0.161 0.000 0.891 169 L HN 0.513 nan 8.230 nan 0.000 0.431 170 S N -1.605 114.055 115.700 -0.066 0.000 2.370 170 S HA -0.189 4.272 4.470 -0.015 0.000 0.226 170 S C 1.919 176.529 174.600 0.017 0.000 1.033 170 S CA 1.584 59.842 58.200 0.096 0.000 1.011 170 S CB -1.335 61.972 63.200 0.179 0.000 0.852 170 S HN 0.283 nan 8.310 nan 0.000 0.457 171 V N 1.859 121.701 119.914 -0.120 0.000 2.283 171 V HA -0.080 4.032 4.120 -0.015 0.000 0.243 171 V C 2.774 178.700 176.094 -0.280 0.000 1.039 171 V CA 1.798 63.991 62.300 -0.177 0.000 1.016 171 V CB -0.661 31.034 31.823 -0.214 0.000 0.650 171 V HN 0.437 nan 8.190 nan 0.000 0.449 172 M N -0.456 118.846 119.600 -0.496 0.000 2.156 172 M HA -0.077 4.394 4.480 -0.015 0.000 0.264 172 M C 2.377 178.355 176.300 -0.536 0.000 1.067 172 M CA 1.633 56.493 55.300 -0.733 0.000 1.131 172 M CB -1.246 30.431 32.600 -1.539 0.000 1.368 172 M HN 0.314 nan 8.290 nan 0.000 0.416 173 S N -0.970 114.449 115.700 -0.467 0.000 2.395 173 S HA -0.030 4.431 4.470 -0.015 0.000 0.225 173 S C 1.459 175.689 174.600 -0.617 0.000 1.027 173 S CA 0.908 58.763 58.200 -0.575 0.000 0.965 173 S CB -0.011 62.755 63.200 -0.723 0.000 0.812 173 S HN 0.428 nan 8.310 nan 0.000 0.482 174 Y N -0.109 120.157 120.300 -0.058 0.000 2.430 174 Y HA 0.331 4.872 4.550 -0.015 0.000 0.254 174 Y C 1.722 177.662 175.900 0.067 0.000 1.088 174 Y CA -0.451 57.679 58.100 0.050 0.000 1.267 174 Y CB 0.165 38.664 38.460 0.065 0.000 1.204 174 Y HN 0.155 nan 8.280 nan 0.000 0.515 175 D N -0.393 120.062 120.400 0.091 0.000 2.652 175 D HA 0.072 4.704 4.640 -0.015 0.000 0.261 175 D C 1.780 178.153 176.300 0.120 0.000 1.024 175 D CA 0.695 54.745 54.000 0.082 0.000 0.958 175 D CB 0.143 40.938 40.800 -0.007 0.000 1.113 175 D HN 0.073 nan 8.370 nan 0.000 0.471 176 L N -0.469 120.785 121.223 0.051 0.000 2.270 176 L HA 0.259 4.590 4.340 -0.015 0.000 0.210 176 L C 1.361 178.238 176.870 0.012 0.000 1.104 176 L CA 0.591 55.516 54.840 0.143 0.000 0.804 176 L CB -0.232 41.817 42.059 -0.016 0.000 0.937 176 L HN 0.310 nan 8.230 nan 0.000 0.450 177 G N 0.216 108.943 108.800 -0.123 0.000 2.221 177 G HA2 -0.324 3.627 3.960 -0.015 0.000 0.265 177 G HA3 -0.324 3.627 3.960 -0.015 0.000 0.265 177 G C 0.747 175.582 174.900 -0.108 0.000 1.041 177 G CA 0.601 45.599 45.100 -0.170 0.000 0.807 177 G HN 0.295 nan 8.290 nan 0.000 0.502 178 M N -1.365 118.152 119.600 -0.138 0.000 2.388 178 M HA 0.321 4.792 4.480 -0.015 0.000 0.265 178 M C 0.620 176.946 176.300 0.042 0.000 1.088 178 M CA 0.773 56.048 55.300 -0.041 0.000 1.134 178 M CB 0.151 32.671 32.600 -0.132 0.000 1.384 178 M HN 0.180 nan 8.290 nan 0.000 0.447 179 F N 0.891 120.553 119.950 -0.480 0.000 2.450 179 F HA 0.439 4.958 4.527 -0.014 0.000 0.328 179 F C -1.931 173.204 175.800 -1.109 0.000 1.068 179 F CA -3.664 53.788 58.000 -0.913 0.000 1.007 179 F CB -0.227 38.333 39.000 -0.735 0.000 1.251 179 F HN -0.213 nan 8.300 nan 0.000 0.492 180 P HA 0.049 nan 4.420 nan 0.000 0.265 180 P C -2.395 174.538 177.300 -0.611 0.000 1.187 180 P CA -0.795 61.742 63.100 -0.940 0.000 0.766 180 P CB 0.241 31.287 31.700 -1.091 0.000 0.820 181 P HA 0.171 nan 4.420 nan 0.000 0.276 181 P C 0.456 177.687 177.300 -0.115 0.000 1.585 181 P CA 0.071 63.046 63.100 -0.208 0.000 1.162 181 P CB 0.061 31.687 31.700 -0.122 0.000 1.556 182 G N 0.186 108.895 108.800 -0.152 0.000 2.145 182 G HA2 -0.121 3.830 3.960 -0.015 0.000 0.145 182 G HA3 -0.121 3.830 3.960 -0.015 0.000 0.145 182 G C -0.379 174.467 174.900 -0.090 0.000 1.017 182 G CA -0.575 44.505 45.100 -0.033 0.000 0.682 182 G HN 0.182 nan 8.290 nan 0.000 0.504 183 I N 1.122 121.582 120.570 -0.183 0.000 2.355 183 I HA 0.368 4.529 4.170 -0.015 0.000 0.288 183 I C -2.258 173.532 176.117 -0.546 0.000 0.999 183 I CA -3.307 57.807 61.300 -0.310 0.000 1.163 183 I CB 1.077 38.913 38.000 -0.273 0.000 1.316 183 I HN -0.168 nan 8.210 nan 0.000 0.454 184 P HA 0.149 nan 4.420 nan 0.000 0.267 184 P C -0.486 176.281 177.300 -0.888 0.000 1.205 184 P CA 0.297 62.980 63.100 -0.694 0.000 0.765 184 P CB 0.274 31.447 31.700 -0.879 0.000 0.828 185 H N 3.227 122.114 119.070 -0.305 0.000 2.511 185 H HA 0.211 4.758 4.556 -0.015 0.000 0.228 185 H C -0.229 175.063 175.328 -0.060 0.000 1.424 185 H CA -0.538 55.403 56.048 -0.177 0.000 1.321 185 H CB -0.387 29.343 29.762 -0.052 0.000 1.720 185 H HN 0.274 nan 8.280 nan 0.000 0.512 186 F N 1.356 121.325 119.950 0.031 0.000 2.593 186 F HA 0.182 4.701 4.527 -0.013 0.000 0.393 186 F C 1.772 177.571 175.800 -0.001 0.000 1.037 186 F CA 1.379 59.373 58.000 -0.009 0.000 1.195 186 F CB -0.043 38.948 39.000 -0.014 0.000 1.034 186 F HN 0.708 nan 8.300 nan 0.000 0.552 187 G N 1.828 110.706 108.800 0.129 0.000 2.184 187 G HA2 -0.362 3.589 3.960 -0.015 0.000 0.264 187 G HA3 -0.362 3.589 3.960 -0.015 0.000 0.264 187 G C 0.872 175.777 174.900 0.007 0.000 0.975 187 G CA 1.017 46.139 45.100 0.037 0.000 0.642 187 G HN 0.965 nan 8.290 nan 0.000 0.536 188 T N -4.131 110.426 114.554 0.005 0.000 3.174 188 T HA 0.391 4.732 4.350 -0.015 0.000 0.252 188 T C 2.376 177.056 174.700 -0.032 0.000 0.984 188 T CA 1.337 63.442 62.100 0.008 0.000 1.113 188 T CB -0.347 68.544 68.868 0.039 0.000 1.088 188 T HN 1.106 nan 8.240 nan 0.000 0.442 189 G N 1.257 110.065 108.800 0.012 0.000 2.432 189 G HA2 0.154 4.105 3.960 -0.015 0.000 0.219 189 G HA3 0.154 4.105 3.960 -0.015 0.000 0.219 189 G C 1.588 176.503 174.900 0.024 0.000 1.135 189 G CA 0.828 45.945 45.100 0.028 0.000 0.767 189 G HN 0.687 nan 8.290 nan 0.000 0.550 190 G N 0.234 108.991 108.800 -0.071 0.000 2.433 190 G HA2 -0.202 3.749 3.960 -0.015 0.000 0.216 190 G HA3 -0.202 3.749 3.960 -0.015 0.000 0.216 190 G C 1.595 176.447 174.900 -0.079 0.000 1.186 190 G CA 1.050 46.085 45.100 -0.110 0.000 0.779 190 G HN 0.402 nan 8.290 nan 0.000 0.543 191 Y N 0.547 120.836 120.300 -0.018 0.000 2.224 191 Y HA -0.083 4.458 4.550 -0.015 0.000 0.289 191 Y C 2.925 178.774 175.900 -0.084 0.000 1.146 191 Y CA 1.031 59.068 58.100 -0.106 0.000 1.182 191 Y CB -0.929 37.416 38.460 -0.192 0.000 0.983 191 Y HN 0.296 nan 8.280 nan 0.000 0.524 192 Q N 0.101 119.935 119.800 0.056 0.000 2.020 192 Q HA -0.198 4.133 4.340 -0.015 0.000 0.202 192 Q C 2.443 178.466 176.000 0.037 0.000 0.982 192 Q CA 1.765 57.571 55.803 0.005 0.000 0.838 192 Q CB -0.265 28.439 28.738 -0.056 0.000 0.899 192 Q HN 0.456 nan 8.270 nan 0.000 0.423 193 A N 0.673 123.481 122.820 -0.019 0.000 1.902 193 A HA -0.110 4.201 4.320 -0.015 0.000 0.217 193 A C 2.293 179.936 177.584 0.099 0.000 1.181 193 A CA 1.649 53.659 52.037 -0.045 0.000 0.623 193 A CB -1.033 17.845 19.000 -0.203 0.000 0.818 193 A HN 0.562 nan 8.150 nan 0.000 0.443 194 A N -1.259 121.657 122.820 0.160 0.000 1.917 194 A HA -0.270 4.041 4.320 -0.015 0.000 0.219 194 A C 2.133 179.856 177.584 0.232 0.000 1.182 194 A CA 1.846 54.025 52.037 0.236 0.000 0.633 194 A CB -1.062 17.999 19.000 0.102 0.000 0.819 194 A HN 0.750 nan 8.150 nan 0.000 0.448 195 H N -0.294 118.850 119.070 0.123 0.000 2.321 195 H HA -0.115 4.432 4.556 -0.015 0.000 0.300 195 H C 1.740 177.197 175.328 0.214 0.000 1.087 195 H CA 1.739 57.880 56.048 0.155 0.000 1.319 195 H CB 0.097 29.870 29.762 0.020 0.000 1.379 195 H HN 0.446 nan 8.280 nan 0.000 0.501 196 N N 0.625 119.486 118.700 0.270 0.000 2.216 196 N HA -0.090 4.641 4.740 -0.015 0.000 0.183 196 N C 2.303 178.001 175.510 0.312 0.000 1.017 196 N CA 0.405 53.634 53.050 0.298 0.000 0.861 196 N CB -0.260 38.441 38.487 0.356 0.000 0.986 196 N HN 0.331 nan 8.380 nan 0.000 0.428 197 L N 0.749 122.054 121.223 0.137 0.000 2.046 197 L HA -0.093 4.238 4.340 -0.015 0.000 0.208 197 L C 2.172 179.060 176.870 0.030 0.000 1.077 197 L CA 0.919 55.653 54.840 -0.176 0.000 0.747 197 L CB -0.335 41.550 42.059 -0.291 0.000 0.896 197 L HN 0.083 nan 8.230 nan 0.000 0.432 198 I N -0.375 120.280 120.570 0.142 0.000 2.179 198 I HA -0.310 3.851 4.170 -0.015 0.000 0.242 198 I C 2.521 178.695 176.117 0.095 0.000 1.088 198 I CA 1.456 62.832 61.300 0.127 0.000 1.357 198 I CB -0.252 37.816 38.000 0.114 0.000 1.051 198 I HN 0.186 nan 8.210 nan 0.000 0.409 199 K N 0.810 121.273 120.400 0.104 0.000 2.057 199 K HA -0.147 4.165 4.320 -0.015 0.000 0.207 199 K C 2.255 178.953 176.600 0.165 0.000 1.049 199 K CA 1.545 57.891 56.287 0.098 0.000 0.931 199 K CB -0.303 32.265 32.500 0.113 0.000 0.714 199 K HN 0.316 nan 8.250 nan 0.000 0.440 200 A N 1.350 124.308 122.820 0.230 0.000 1.902 200 A HA -0.230 4.082 4.320 -0.015 0.000 0.217 200 A C 2.112 179.873 177.584 0.296 0.000 1.181 200 A CA 1.575 53.800 52.037 0.313 0.000 0.623 200 A CB -0.856 18.379 19.000 0.392 0.000 0.818 200 A HN 0.418 nan 8.150 nan 0.000 0.443 201 H N 0.233 119.362 119.070 0.097 0.000 2.290 201 H HA -0.149 4.398 4.556 -0.014 0.000 0.298 201 H C 2.281 177.718 175.328 0.180 0.000 1.087 201 H CA 2.056 58.183 56.048 0.130 0.000 1.291 201 H CB -0.309 29.453 29.762 0.000 0.000 1.369 201 H HN 0.388 nan 8.280 nan 0.000 0.492 202 A N 1.963 124.783 122.820 -0.000 0.000 1.908 202 A HA -0.178 4.133 4.320 -0.015 0.000 0.218 202 A C 2.593 180.275 177.584 0.163 0.000 1.181 202 A CA 1.370 53.401 52.037 -0.010 0.000 0.627 202 A CB -0.460 18.552 19.000 0.021 0.000 0.818 202 A HN 0.359 nan 8.150 nan 0.000 0.445 203 R N 0.299 120.918 120.500 0.198 0.000 2.083 203 R HA -0.132 4.199 4.340 -0.015 0.000 0.237 203 R C 2.697 179.145 176.300 0.247 0.000 1.137 203 R CA 1.843 58.090 56.100 0.245 0.000 0.951 203 R CB -1.056 29.374 30.300 0.216 0.000 0.851 203 R HN 0.760 nan 8.270 nan 0.000 0.434 204 S N -0.576 115.263 115.700 0.231 0.000 2.382 204 S HA -0.182 4.279 4.470 -0.015 0.000 0.228 204 S C 1.884 176.612 174.600 0.213 0.000 1.027 204 S CA 0.889 59.222 58.200 0.223 0.000 0.991 204 S CB -0.611 62.738 63.200 0.248 0.000 0.823 204 S HN 0.555 nan 8.310 nan 0.000 0.469 205 W N 2.370 123.589 121.300 -0.136 0.000 2.355 205 W HA -0.103 4.549 4.660 -0.014 0.000 0.309 205 W C 2.509 178.951 176.519 -0.127 0.000 1.206 205 W CA 1.888 59.103 57.345 -0.217 0.000 1.284 205 W CB -0.406 28.789 29.460 -0.442 0.000 1.145 205 W HN 0.351 nan 8.180 nan 0.000 0.502 206 H N -0.545 118.727 119.070 0.336 0.000 2.387 206 H HA -0.113 4.434 4.556 -0.015 0.000 0.299 206 H C 2.366 177.688 175.328 -0.010 0.000 1.090 206 H CA 1.890 58.044 56.048 0.178 0.000 1.332 206 H CB -0.755 29.137 29.762 0.217 0.000 1.386 206 H HN 0.140 nan 8.280 nan 0.000 0.516 207 S N 0.293 116.096 115.700 0.172 0.000 2.368 207 S HA -0.186 4.275 4.470 -0.015 0.000 0.225 207 S C 2.015 176.667 174.600 0.087 0.000 1.030 207 S CA 1.143 59.430 58.200 0.145 0.000 0.999 207 S CB -0.471 62.873 63.200 0.241 0.000 0.844 207 S HN 0.445 nan 8.310 nan 0.000 0.459 208 Y N 2.189 122.392 120.300 -0.162 0.000 2.114 208 Y HA -0.211 4.330 4.550 -0.015 0.000 0.284 208 Y C 2.229 177.857 175.900 -0.453 0.000 1.143 208 Y CA 1.961 59.775 58.100 -0.476 0.000 1.135 208 Y CB -0.655 37.212 38.460 -0.989 0.000 0.980 208 Y HN 0.240 nan 8.280 nan 0.000 0.499 209 D N -0.939 119.119 120.400 -0.571 0.000 2.123 209 D HA -0.193 4.438 4.640 -0.015 0.000 0.196 209 D C 2.225 178.296 176.300 -0.382 0.000 0.992 209 D CA 1.981 55.603 54.000 -0.629 0.000 0.833 209 D CB -0.236 39.989 40.800 -0.958 0.000 0.954 209 D HN 0.439 nan 8.370 nan 0.000 0.455 210 S N -1.215 114.324 115.700 -0.269 0.000 2.439 210 S HA 0.053 4.515 4.470 -0.015 0.000 0.224 210 S C 1.932 176.356 174.600 -0.293 0.000 1.029 210 S CA 0.237 58.316 58.200 -0.202 0.000 0.946 210 S CB -0.111 63.029 63.200 -0.100 0.000 0.797 210 S HN 0.320 nan 8.310 nan 0.000 0.504 211 L N -1.761 119.214 121.223 -0.413 0.000 2.575 211 L HA 0.462 4.793 4.340 -0.015 0.000 0.228 211 L C 1.150 177.410 176.870 -1.017 0.000 1.075 211 L CA 0.335 54.752 54.840 -0.704 0.000 0.867 211 L CB 0.130 41.678 42.059 -0.852 0.000 1.097 211 L HN 0.231 nan 8.230 nan 0.000 0.485 212 F N -1.421 118.209 119.950 -0.535 0.000 2.784 212 F HA 0.232 4.751 4.527 -0.015 0.000 0.316 212 F C 2.357 177.684 175.800 -0.790 0.000 1.026 212 F CA -0.248 57.353 58.000 -0.664 0.000 1.188 212 F CB -0.011 38.496 39.000 -0.822 0.000 0.999 212 F HN -0.241 nan 8.300 nan 0.000 0.605 213 R N 1.564 121.594 120.500 -0.783 0.000 2.081 213 R HA -0.170 4.161 4.340 -0.015 0.000 0.235 213 R C 2.228 178.386 176.300 -0.236 0.000 1.131 213 R CA 1.807 57.572 56.100 -0.558 0.000 0.960 213 R CB -0.136 29.918 30.300 -0.409 0.000 0.856 213 R HN 0.209 nan 8.270 nan 0.000 0.436 214 K N 0.644 120.914 120.400 -0.216 0.000 2.032 214 K HA -0.207 4.104 4.320 -0.015 0.000 0.209 214 K C 2.192 178.739 176.600 -0.088 0.000 1.048 214 K CA 1.764 57.975 56.287 -0.127 0.000 0.927 214 K CB -0.066 32.358 32.500 -0.127 0.000 0.712 214 K HN -0.015 nan 8.250 nan 0.000 0.441 215 K N 0.528 120.870 120.400 -0.097 0.000 2.098 215 K HA -0.090 4.221 4.320 -0.015 0.000 0.203 215 K C 1.932 178.529 176.600 -0.004 0.000 1.051 215 K CA 1.430 57.691 56.287 -0.044 0.000 0.957 215 K CB 0.099 32.576 32.500 -0.040 0.000 0.738 215 K HN 0.326 nan 8.250 nan 0.000 0.447 216 Q N 0.446 120.246 119.800 -0.000 0.000 2.212 216 Q HA 0.021 4.352 4.340 -0.015 0.000 0.199 216 Q C -0.211 175.851 176.000 0.104 0.000 0.950 216 Q CA 0.376 56.226 55.803 0.079 0.000 0.863 216 Q CB 0.217 29.045 28.738 0.150 0.000 0.944 216 Q HN 0.207 nan 8.270 nan 0.000 0.465 217 K N 0.014 120.459 120.400 0.074 0.000 3.096 217 K HA -0.182 4.129 4.320 -0.015 0.000 0.266 217 K C 0.070 176.759 176.600 0.148 0.000 1.043 217 K CA 0.204 56.545 56.287 0.090 0.000 0.758 217 K CB -1.901 30.632 32.500 0.054 0.000 1.260 217 K HN 0.384 nan 8.250 nan 0.000 0.481 218 G N 0.492 109.458 108.800 0.277 0.000 2.795 218 G HA2 0.852 4.803 3.960 -0.015 0.000 0.267 218 G HA3 0.852 4.803 3.960 -0.015 0.000 0.267 218 G C -0.174 174.840 174.900 0.190 0.000 1.362 218 G CA -0.664 44.577 45.100 0.234 0.000 1.048 218 G HN 0.209 nan 8.290 nan 0.000 0.547 219 M N -1.732 117.919 119.600 0.085 0.000 2.575 219 M HA 0.761 5.232 4.480 -0.015 0.000 0.284 219 M C -1.817 174.575 176.300 0.154 0.000 1.253 219 M CA -0.978 54.379 55.300 0.096 0.000 0.861 219 M CB 2.397 35.110 32.600 0.189 0.000 1.733 219 M HN 0.264 nan 8.290 nan 0.000 0.462 220 V N 0.793 120.796 119.914 0.149 0.000 2.638 220 V HA 0.778 4.889 4.120 -0.015 0.000 0.306 220 V C -0.712 175.422 176.094 0.066 0.000 1.052 220 V CA -0.207 62.161 62.300 0.112 0.000 0.885 220 V CB 1.816 33.522 31.823 -0.196 0.000 0.999 220 V HN 1.021 nan 8.190 nan 0.000 0.424 221 S N 3.652 119.268 115.700 -0.141 0.000 2.840 221 S HA 0.880 5.341 4.470 -0.015 0.000 0.307 221 S C -1.460 173.032 174.600 -0.179 0.000 1.180 221 S CA -0.616 57.333 58.200 -0.418 0.000 0.846 221 S CB 1.798 64.191 63.200 -1.345 0.000 1.233 221 S HN 0.849 nan 8.310 nan 0.000 0.548 222 L N 0.774 121.755 121.223 -0.403 0.000 2.388 222 L HA 0.922 5.254 4.340 -0.015 0.000 0.264 222 L C -0.525 176.148 176.870 -0.330 0.000 0.998 222 L CA -0.761 53.881 54.840 -0.331 0.000 0.817 222 L CB 2.074 43.800 42.059 -0.555 0.000 1.338 222 L HN 0.637 nan 8.230 nan 0.000 0.414 223 S N 2.610 118.179 115.700 -0.220 0.000 2.541 223 S HA 0.766 5.227 4.470 -0.015 0.000 0.283 223 S C -0.591 173.896 174.600 -0.188 0.000 1.196 223 S CA -0.708 57.389 58.200 -0.172 0.000 1.062 223 S CB 1.273 64.429 63.200 -0.075 0.000 1.009 223 S HN 0.658 nan 8.310 nan 0.000 0.502 224 L N 3.011 124.154 121.223 -0.133 0.000 2.381 224 L HA 0.514 4.845 4.340 -0.015 0.000 0.274 224 L C -0.547 176.380 176.870 0.095 0.000 0.988 224 L CA -0.883 53.908 54.840 -0.082 0.000 0.824 224 L CB 1.580 43.563 42.059 -0.126 0.000 1.263 224 L HN 0.775 nan 8.230 nan 0.000 0.410 225 F N 3.236 123.172 119.950 -0.022 0.000 2.529 225 F HA 0.462 4.980 4.527 -0.015 0.000 0.365 225 F C 0.284 176.192 175.800 0.179 0.000 1.102 225 F CA -0.142 57.904 58.000 0.078 0.000 1.271 225 F CB 0.775 39.787 39.000 0.019 0.000 1.120 225 F HN 0.483 nan 8.300 nan 0.000 0.579 226 A N 5.920 128.578 122.820 -0.270 0.000 2.381 226 A HA 0.663 4.974 4.320 -0.015 0.000 0.299 226 A C -1.674 175.816 177.584 -0.155 0.000 1.049 226 A CA -0.681 51.380 52.037 0.040 0.000 0.715 226 A CB 1.167 20.276 19.000 0.181 0.000 1.222 226 A HN 0.551 nan 8.150 nan 0.000 0.428 227 V N 3.441 123.377 119.914 0.037 0.000 2.370 227 V HA 0.256 4.367 4.120 -0.015 0.000 0.279 227 V C 0.115 176.295 176.094 0.142 0.000 1.029 227 V CA -0.684 61.564 62.300 -0.087 0.000 0.870 227 V CB 1.263 32.914 31.823 -0.286 0.000 0.984 227 V HN 0.910 nan 8.190 nan 0.000 0.451 228 W N 6.417 127.778 121.300 0.101 0.000 2.181 228 W HA 0.512 5.164 4.660 -0.014 0.000 0.335 228 W C -1.421 175.101 176.519 0.005 0.000 1.310 228 W CA -0.356 57.015 57.345 0.044 0.000 1.226 228 W CB 0.779 30.242 29.460 0.004 0.000 1.155 228 W HN 0.423 nan 8.180 nan 0.000 0.565 229 L N 5.481 125.971 121.223 -1.220 0.000 2.410 229 L HA 0.355 4.686 4.340 -0.015 0.000 0.270 229 L C -0.185 176.272 176.870 -0.688 0.000 0.983 229 L CA -0.856 53.559 54.840 -0.709 0.000 0.822 229 L CB 2.149 43.922 42.059 -0.478 0.000 1.285 229 L HN 0.312 nan 8.230 nan 0.000 0.409 230 E N 3.192 123.269 120.200 -0.206 0.000 2.256 230 E HA 0.448 4.789 4.350 -0.015 0.000 0.267 230 E C -2.600 173.991 176.600 -0.015 0.000 0.892 230 E CA -1.946 54.456 56.400 0.005 0.000 0.775 230 E CB 2.469 32.341 29.700 0.286 0.000 1.207 230 E HN 0.218 nan 8.360 nan 0.000 0.420 231 P HA -0.004 nan 4.420 nan 0.000 0.268 231 P C 0.165 177.474 177.300 0.015 0.000 1.204 231 P CA 0.242 63.344 63.100 0.004 0.000 0.768 231 P CB 0.828 32.546 31.700 0.029 0.000 0.842 232 A N 3.340 126.150 122.820 -0.016 0.000 1.877 232 A HA -0.137 4.174 4.320 -0.015 0.000 0.216 232 A C 1.068 178.702 177.584 0.082 0.000 1.186 232 A CA 1.556 53.609 52.037 0.025 0.000 0.620 232 A CB -0.745 18.318 19.000 0.105 0.000 0.822 232 A HN 0.551 nan 8.150 nan 0.000 0.443 233 D N -1.371 119.075 120.400 0.076 0.000 2.427 233 D HA 0.385 5.016 4.640 -0.015 0.000 0.226 233 D C -2.165 174.166 176.300 0.052 0.000 1.076 233 D CA -2.322 51.716 54.000 0.064 0.000 0.849 233 D CB 1.411 42.249 40.800 0.063 0.000 1.052 233 D HN -0.035 nan 8.370 nan 0.000 0.515 234 P HA -0.026 nan 4.420 nan 0.000 0.222 234 P C 0.207 177.529 177.300 0.037 0.000 1.147 234 P CA 0.930 64.059 63.100 0.048 0.000 0.790 234 P CB 0.235 31.963 31.700 0.048 0.000 0.780 235 N N -1.624 117.095 118.700 0.032 0.000 2.398 235 N HA 0.008 4.740 4.740 -0.015 0.000 0.188 235 N C 0.308 175.832 175.510 0.023 0.000 1.122 235 N CA 0.019 53.084 53.050 0.025 0.000 0.866 235 N CB 0.003 38.503 38.487 0.022 0.000 0.970 235 N HN -0.029 nan 8.380 nan 0.000 0.462 236 S N 0.195 115.912 115.700 0.028 0.000 2.452 236 S HA 0.191 4.653 4.470 -0.015 0.000 0.284 236 S C 1.309 175.916 174.600 0.012 0.000 1.171 236 S CA -0.705 57.509 58.200 0.024 0.000 1.064 236 S CB 0.810 64.034 63.200 0.040 0.000 0.967 236 S HN -0.061 nan 8.310 nan 0.000 0.484 237 V N 5.432 125.344 119.914 -0.003 0.000 2.358 237 V HA -0.139 3.972 4.120 -0.015 0.000 0.246 237 V C 2.677 178.745 176.094 -0.043 0.000 1.047 237 V CA 2.241 64.530 62.300 -0.018 0.000 1.035 237 V CB -1.158 30.650 31.823 -0.026 0.000 0.658 237 V HN 1.007 nan 8.190 nan 0.000 0.452 238 S N 0.128 115.788 115.700 -0.067 0.000 2.382 238 S HA -0.249 4.213 4.470 -0.015 0.000 0.228 238 S C 1.644 176.223 174.600 -0.034 0.000 1.027 238 S CA 1.691 59.807 58.200 -0.139 0.000 0.991 238 S CB -0.535 62.548 63.200 -0.196 0.000 0.823 238 S HN 0.552 nan 8.310 nan 0.000 0.469 239 D N 1.540 121.957 120.400 0.028 0.000 2.149 239 D HA -0.009 4.622 4.640 -0.015 0.000 0.201 239 D C 2.307 178.618 176.300 0.017 0.000 0.972 239 D CA 1.047 55.075 54.000 0.047 0.000 0.835 239 D CB -0.447 40.386 40.800 0.054 0.000 0.966 239 D HN 0.564 nan 8.370 nan 0.000 0.476 240 Q N 0.214 120.021 119.800 0.011 0.000 2.030 240 Q HA -0.149 4.182 4.340 -0.015 0.000 0.204 240 Q C 1.943 177.945 176.000 0.003 0.000 0.986 240 Q CA 1.087 56.897 55.803 0.011 0.000 0.843 240 Q CB 0.066 28.814 28.738 0.016 0.000 0.904 240 Q HN 0.206 nan 8.270 nan 0.000 0.420 241 E N 0.125 120.320 120.200 -0.008 0.000 2.150 241 E HA -0.119 4.222 4.350 -0.015 0.000 0.193 241 E C 1.879 178.484 176.600 0.008 0.000 0.985 241 E CA 0.993 57.389 56.400 -0.006 0.000 0.814 241 E CB -0.216 29.464 29.700 -0.034 0.000 0.752 241 E HN 0.361 nan 8.360 nan 0.000 0.466 242 A N 1.585 124.413 122.820 0.013 0.000 1.902 242 A HA -0.082 4.229 4.320 -0.015 0.000 0.217 242 A C 2.434 180.021 177.584 0.005 0.000 1.181 242 A CA 2.018 54.082 52.037 0.045 0.000 0.623 242 A CB -0.576 18.486 19.000 0.103 0.000 0.818 242 A HN 0.266 nan 8.150 nan 0.000 0.443 243 A N -0.235 122.567 122.820 -0.029 0.000 1.902 243 A HA -0.167 4.145 4.320 -0.015 0.000 0.217 243 A C 2.119 179.635 177.584 -0.112 0.000 1.181 243 A CA 1.896 53.876 52.037 -0.097 0.000 0.623 243 A CB -0.432 18.493 19.000 -0.124 0.000 0.818 243 A HN 0.538 nan 8.150 nan 0.000 0.443 244 K N -0.935 119.432 120.400 -0.055 0.000 2.057 244 K HA -0.115 4.197 4.320 -0.015 0.000 0.207 244 K C 2.361 178.988 176.600 0.045 0.000 1.049 244 K CA 1.439 57.715 56.287 -0.019 0.000 0.931 244 K CB -0.151 32.374 32.500 0.043 0.000 0.714 244 K HN 0.438 nan 8.250 nan 0.000 0.440 245 R N 0.582 121.130 120.500 0.079 0.000 2.096 245 R HA -0.106 4.225 4.340 -0.015 0.000 0.235 245 R C 2.132 178.572 176.300 0.235 0.000 1.127 245 R CA 1.320 57.525 56.100 0.174 0.000 0.968 245 R CB -0.138 30.255 30.300 0.155 0.000 0.861 245 R HN 0.196 nan 8.270 nan 0.000 0.440 246 A N 0.749 123.635 122.820 0.109 0.000 1.930 246 A HA -0.102 4.209 4.320 -0.015 0.000 0.217 246 A C 2.075 179.808 177.584 0.247 0.000 1.175 246 A CA 1.133 53.243 52.037 0.121 0.000 0.627 246 A CB -0.385 18.613 19.000 -0.004 0.000 0.815 246 A HN 0.324 nan 8.150 nan 0.000 0.443 247 I N -0.416 120.212 120.570 0.097 0.000 2.179 247 I HA -0.230 3.932 4.170 -0.015 0.000 0.242 247 I C 2.577 178.724 176.117 0.050 0.000 1.088 247 I CA 1.756 63.064 61.300 0.013 0.000 1.357 247 I CB -0.647 37.168 38.000 -0.307 0.000 1.051 247 I HN 0.242 nan 8.210 nan 0.000 0.409 248 T N 0.723 115.365 114.554 0.147 0.000 2.746 248 T HA -0.175 4.166 4.350 -0.015 0.000 0.267 248 T C 1.701 176.504 174.700 0.173 0.000 1.039 248 T CA 1.547 63.752 62.100 0.176 0.000 1.142 248 T CB -0.401 68.571 68.868 0.173 0.000 0.866 248 T HN 0.122 nan 8.240 nan 0.000 0.444 249 F N 1.368 121.386 119.950 0.114 0.000 2.134 249 F HA -0.123 4.396 4.527 -0.013 0.000 0.299 249 F C 2.624 178.547 175.800 0.206 0.000 1.097 249 F CA 1.561 59.645 58.000 0.141 0.000 1.264 249 F CB -0.298 38.783 39.000 0.134 0.000 1.001 249 F HN 0.427 nan 8.300 nan 0.000 0.479 250 H N -1.536 117.715 119.070 0.303 0.000 2.520 250 H HA 0.065 4.612 4.556 -0.014 0.000 0.279 250 H C 1.746 177.243 175.328 0.283 0.000 0.990 250 H CA 1.309 57.511 56.048 0.257 0.000 1.288 250 H CB -0.304 29.549 29.762 0.152 0.000 1.446 250 H HN 0.379 nan 8.280 nan 0.000 0.538 251 L N 1.079 122.147 121.223 -0.258 0.000 2.541 251 L HA 0.178 4.509 4.340 -0.015 0.000 0.187 251 L C 1.469 178.451 176.870 0.186 0.000 1.098 251 L CA 0.965 55.739 54.840 -0.110 0.000 0.846 251 L CB 0.061 41.955 42.059 -0.276 0.000 1.151 251 L HN -0.097 nan 8.230 nan 0.000 0.492 252 D N 0.200 120.727 120.400 0.212 0.000 2.312 252 D HA -0.129 4.502 4.640 -0.015 0.000 0.211 252 D C 2.208 178.655 176.300 0.245 0.000 0.964 252 D CA 1.006 55.195 54.000 0.315 0.000 0.877 252 D CB 0.020 41.013 40.800 0.322 0.000 0.924 252 D HN 0.355 nan 8.370 nan 0.000 0.515 253 L N -0.403 120.930 121.223 0.183 0.000 2.043 253 L HA -0.227 4.105 4.340 -0.015 0.000 0.212 253 L C 1.902 178.814 176.870 0.070 0.000 1.075 253 L CA 1.424 56.316 54.840 0.088 0.000 0.752 253 L CB -0.134 41.901 42.059 -0.041 0.000 0.891 253 L HN -0.093 nan 8.230 nan 0.000 0.432 254 F N -1.106 118.940 119.950 0.161 0.000 2.262 254 F HA 0.077 4.595 4.527 -0.015 0.000 0.292 254 F C 2.465 178.304 175.800 0.064 0.000 1.081 254 F CA 0.757 58.819 58.000 0.103 0.000 1.355 254 F CB -0.582 38.431 39.000 0.023 0.000 1.069 254 F HN 0.064 nan 8.300 nan 0.000 0.506 255 A N 0.016 123.001 122.820 0.273 0.000 1.929 255 A HA -0.135 4.176 4.320 -0.015 0.000 0.216 255 A C 2.172 179.963 177.584 0.345 0.000 1.176 255 A CA 1.366 53.527 52.037 0.206 0.000 0.628 255 A CB -0.595 18.329 19.000 -0.127 0.000 0.816 255 A HN 0.294 nan 8.150 nan 0.000 0.444 256 K N -0.004 120.612 120.400 0.360 0.000 2.009 256 K HA -0.122 4.189 4.320 -0.015 0.000 0.210 256 K C -0.830 175.857 176.600 0.144 0.000 1.049 256 K CA 1.690 58.167 56.287 0.318 0.000 0.929 256 K CB -0.816 31.817 32.500 0.223 0.000 0.714 256 K HN 0.343 nan 8.250 nan 0.000 0.440 257 P HA -0.163 nan 4.420 nan 0.000 0.215 257 P C 1.434 178.627 177.300 -0.178 0.000 1.153 257 P CA 1.518 64.517 63.100 -0.169 0.000 0.853 257 P CB -0.062 31.421 31.700 -0.361 0.000 0.788 258 I N -2.527 117.963 120.570 -0.133 0.000 2.406 258 I HA -0.136 4.025 4.170 -0.015 0.000 0.249 258 I C 2.130 178.012 176.117 -0.390 0.000 1.122 258 I CA 1.296 62.417 61.300 -0.299 0.000 1.431 258 I CB -0.408 37.371 38.000 -0.368 0.000 1.087 258 I HN -0.211 nan 8.210 nan 0.000 0.424 259 F N -0.344 119.542 119.950 -0.108 0.000 2.582 259 F HA 0.177 4.695 4.527 -0.015 0.000 0.290 259 F C 1.934 177.757 175.800 0.039 0.000 1.115 259 F CA 0.641 58.625 58.000 -0.026 0.000 1.445 259 F CB 0.158 39.204 39.000 0.078 0.000 1.126 259 F HN -0.118 nan 8.300 nan 0.000 0.574 260 I N -0.457 120.239 120.570 0.210 0.000 3.523 260 I HA 0.021 4.182 4.170 -0.015 0.000 0.244 260 I C 0.729 176.860 176.117 0.023 0.000 1.110 260 I CA 0.594 61.972 61.300 0.132 0.000 1.517 260 I CB 0.167 38.256 38.000 0.149 0.000 1.505 260 I HN -0.034 nan 8.210 nan 0.000 0.460 261 D N -0.398 119.995 120.400 -0.013 0.000 2.567 261 D HA 0.171 4.802 4.640 -0.015 0.000 0.268 261 D C 1.083 177.317 176.300 -0.112 0.000 1.448 261 D CA 0.418 54.387 54.000 -0.052 0.000 0.811 261 D CB 0.376 41.161 40.800 -0.024 0.000 1.192 261 D HN 0.370 nan 8.370 nan 0.000 0.488 262 G N 0.150 108.842 108.800 -0.180 0.000 2.148 262 G HA2 -0.240 3.711 3.960 -0.015 0.000 0.254 262 G HA3 -0.240 3.711 3.960 -0.015 0.000 0.254 262 G C -0.314 174.334 174.900 -0.419 0.000 0.981 262 G CA 0.454 45.353 45.100 -0.335 0.000 0.670 262 G HN 0.638 nan 8.290 nan 0.000 0.528 263 D N -1.506 118.761 120.400 -0.223 0.000 2.547 263 D HA 0.583 5.214 4.640 -0.015 0.000 0.231 263 D C 0.185 176.458 176.300 -0.046 0.000 1.099 263 D CA -0.782 53.158 54.000 -0.100 0.000 0.901 263 D CB 0.780 41.592 40.800 0.020 0.000 1.478 263 D HN -0.030 nan 8.370 nan 0.000 0.471 264 Y N 0.590 120.992 120.300 0.171 0.000 2.459 264 Y HA 0.227 4.769 4.550 -0.014 0.000 0.349 264 Y C -1.465 174.432 175.900 -0.005 0.000 1.266 264 Y CA -1.333 56.795 58.100 0.046 0.000 1.483 264 Y CB -0.405 38.032 38.460 -0.038 0.000 1.362 264 Y HN 0.155 nan 8.280 nan 0.000 0.628 265 P HA -0.010 nan 4.420 nan 0.000 0.268 265 P C 0.325 177.634 177.300 0.014 0.000 1.205 265 P CA 0.115 63.247 63.100 0.054 0.000 0.771 265 P CB 0.746 32.454 31.700 0.014 0.000 0.858 266 E N 1.697 121.909 120.200 0.020 0.000 2.077 266 E HA -0.116 4.225 4.350 -0.015 0.000 0.193 266 E C 1.827 178.423 176.600 -0.006 0.000 0.989 266 E CA 0.976 57.383 56.400 0.011 0.000 0.800 266 E CB -0.783 28.927 29.700 0.018 0.000 0.746 266 E HN 0.192 nan 8.360 nan 0.000 0.452 267 V N 0.621 120.537 119.914 0.003 0.000 2.515 267 V HA -0.182 3.929 4.120 -0.015 0.000 0.250 267 V C 2.245 178.333 176.094 -0.009 0.000 1.058 267 V CA 1.064 63.384 62.300 0.034 0.000 1.064 267 V CB -0.069 31.809 31.823 0.091 0.000 0.675 267 V HN 0.034 nan 8.190 nan 0.000 0.461 268 V N 0.059 119.851 119.914 -0.203 0.000 2.270 268 V HA -0.231 3.881 4.120 -0.015 0.000 0.245 268 V C 2.493 178.394 176.094 -0.323 0.000 1.043 268 V CA 2.370 64.344 62.300 -0.543 0.000 1.014 268 V CB -0.688 30.681 31.823 -0.757 0.000 0.645 268 V HN 0.532 nan 8.190 nan 0.000 0.447 269 K N 0.894 121.166 120.400 -0.212 0.000 2.032 269 K HA -0.176 4.135 4.320 -0.015 0.000 0.209 269 K C 2.427 178.967 176.600 -0.099 0.000 1.048 269 K CA 1.906 58.098 56.287 -0.158 0.000 0.927 269 K CB -0.443 32.020 32.500 -0.063 0.000 0.712 269 K HN 0.638 nan 8.250 nan 0.000 0.441 270 S N 1.217 116.891 115.700 -0.045 0.000 2.355 270 S HA -0.148 4.313 4.470 -0.015 0.000 0.222 270 S C 2.087 176.696 174.600 0.015 0.000 1.031 270 S CA 0.662 58.858 58.200 -0.008 0.000 0.993 270 S CB -0.218 62.990 63.200 0.013 0.000 0.859 270 S HN 0.185 nan 8.310 nan 0.000 0.453 271 Q N 1.263 121.099 119.800 0.059 0.000 2.030 271 Q HA 0.004 4.335 4.340 -0.015 0.000 0.204 271 Q C 2.443 178.487 176.000 0.075 0.000 0.986 271 Q CA 1.651 57.526 55.803 0.119 0.000 0.843 271 Q CB -0.551 28.361 28.738 0.289 0.000 0.904 271 Q HN 0.667 nan 8.270 nan 0.000 0.420 272 I N 0.607 121.187 120.570 0.017 0.000 2.315 272 I HA -0.228 3.934 4.170 -0.015 0.000 0.248 272 I C 2.457 178.524 176.117 -0.083 0.000 1.117 272 I CA 0.928 62.187 61.300 -0.069 0.000 1.404 272 I CB -0.479 37.343 38.000 -0.297 0.000 1.071 272 I HN 0.053 nan 8.210 nan 0.000 0.419 273 A N 0.043 122.812 122.820 -0.086 0.000 1.902 273 A HA -0.252 4.059 4.320 -0.015 0.000 0.217 273 A C 2.518 180.094 177.584 -0.013 0.000 1.181 273 A CA 2.309 54.309 52.037 -0.060 0.000 0.623 273 A CB -0.859 18.108 19.000 -0.054 0.000 0.818 273 A HN 0.405 nan 8.150 nan 0.000 0.443 274 S N -1.466 114.237 115.700 0.005 0.000 2.356 274 S HA -0.189 4.273 4.470 -0.015 0.000 0.223 274 S C 2.044 176.667 174.600 0.039 0.000 1.032 274 S CA 1.989 60.204 58.200 0.025 0.000 1.005 274 S CB -0.351 62.869 63.200 0.033 0.000 0.867 274 S HN 0.409 nan 8.310 nan 0.000 0.449 275 M N 1.697 121.322 119.600 0.043 0.000 2.132 275 M HA 0.076 4.547 4.480 -0.015 0.000 0.263 275 M C 2.162 178.515 176.300 0.088 0.000 1.065 275 M CA 1.519 56.855 55.300 0.061 0.000 1.122 275 M CB -1.288 31.350 32.600 0.063 0.000 1.365 275 M HN 0.294 nan 8.290 nan 0.000 0.411 276 S N 0.081 115.818 115.700 0.061 0.000 2.359 276 S HA -0.199 4.262 4.470 -0.015 0.000 0.224 276 S C 1.818 176.538 174.600 0.199 0.000 1.035 276 S CA 1.337 59.604 58.200 0.112 0.000 1.018 276 S CB -0.462 62.700 63.200 -0.065 0.000 0.876 276 S HN 0.568 nan 8.310 nan 0.000 0.448 277 Q N 1.464 121.325 119.800 0.103 0.000 2.061 277 Q HA -0.140 4.191 4.340 -0.015 0.000 0.204 277 Q C 1.869 177.917 176.000 0.079 0.000 0.984 277 Q CA 1.516 57.370 55.803 0.085 0.000 0.846 277 Q CB -0.223 28.543 28.738 0.047 0.000 0.902 277 Q HN 0.501 nan 8.270 nan 0.000 0.421 278 K N 0.033 120.477 120.400 0.073 0.000 2.147 278 K HA -0.152 4.160 4.320 -0.015 0.000 0.205 278 K C 2.091 178.726 176.600 0.059 0.000 1.049 278 K CA 1.209 57.530 56.287 0.056 0.000 0.936 278 K CB -0.011 32.519 32.500 0.050 0.000 0.722 278 K HN 0.341 nan 8.250 nan 0.000 0.446 279 Q N -0.674 119.189 119.800 0.106 0.000 2.472 279 Q HA 0.013 4.344 4.340 -0.015 0.000 0.208 279 Q C 0.754 176.738 176.000 -0.027 0.000 0.958 279 Q CA 0.591 56.449 55.803 0.092 0.000 0.932 279 Q CB 0.579 29.463 28.738 0.243 0.000 1.007 279 Q HN 0.531 nan 8.270 nan 0.000 0.508 280 G N -0.246 108.553 108.800 -0.001 0.000 2.131 280 G HA2 -0.266 3.685 3.960 -0.015 0.000 0.223 280 G HA3 -0.266 3.685 3.960 -0.015 0.000 0.223 280 G C -0.524 174.300 174.900 -0.127 0.000 0.990 280 G CA -0.521 44.533 45.100 -0.076 0.000 0.671 280 G HN 0.268 nan 8.290 nan 0.000 0.521 281 Y N 0.390 120.691 120.300 0.002 0.000 2.319 281 Y HA 0.407 4.948 4.550 -0.015 0.000 0.328 281 Y C -0.288 175.607 175.900 -0.008 0.000 1.133 281 Y CA -1.261 56.837 58.100 -0.003 0.000 1.265 281 Y CB 1.062 39.520 38.460 -0.004 0.000 1.218 281 Y HN 0.019 nan 8.280 nan 0.000 0.508 282 P HA -0.008 nan 4.420 nan 0.000 0.241 282 P C -0.074 177.265 177.300 0.064 0.000 1.191 282 P CA 0.651 63.795 63.100 0.075 0.000 0.771 282 P CB 0.770 32.499 31.700 0.047 0.000 0.929 283 S N -1.352 114.399 115.700 0.084 0.000 2.579 283 S HA 0.428 4.889 4.470 -0.015 0.000 0.272 283 S C -0.713 173.868 174.600 -0.033 0.000 1.141 283 S CA -0.494 57.714 58.200 0.014 0.000 0.843 283 S CB 1.563 64.758 63.200 -0.009 0.000 1.122 283 S HN -0.028 nan 8.310 nan 0.000 0.468 284 S N 0.986 116.631 115.700 -0.093 0.000 2.572 284 S HA 0.235 4.697 4.470 -0.015 0.000 0.279 284 S C 1.273 175.716 174.600 -0.260 0.000 1.341 284 S CA -0.096 58.002 58.200 -0.170 0.000 1.043 284 S CB 0.306 63.401 63.200 -0.175 0.000 0.887 284 S HN 0.704 nan 8.310 nan 0.000 0.516 285 R N 1.312 121.603 120.500 -0.349 0.000 2.237 285 R HA 0.043 4.375 4.340 -0.015 0.000 0.219 285 R C 0.179 176.316 176.300 -0.272 0.000 1.080 285 R CA 0.329 56.233 56.100 -0.328 0.000 0.995 285 R CB -0.202 29.923 30.300 -0.291 0.000 0.875 285 R HN 0.464 nan 8.270 nan 0.000 0.462 286 L N 2.240 123.208 121.223 -0.425 0.000 2.260 286 L HA 0.303 4.634 4.340 -0.015 0.000 0.289 286 L C -2.401 174.209 176.870 -0.434 0.000 1.057 286 L CA -2.327 52.175 54.840 -0.563 0.000 0.811 286 L CB 0.856 42.472 42.059 -0.737 0.000 1.184 286 L HN -0.205 nan 8.230 nan 0.000 0.429 287 P HA 0.132 nan 4.420 nan 0.000 0.270 287 P C -1.216 175.752 177.300 -0.553 0.000 1.223 287 P CA -0.151 62.568 63.100 -0.634 0.000 0.785 287 P CB 0.460 31.472 31.700 -1.147 0.000 0.923 288 E N 0.724 120.712 120.200 -0.353 0.000 2.191 288 E HA 0.338 4.679 4.350 -0.015 0.000 0.278 288 E C -0.659 175.930 176.600 -0.017 0.000 0.972 288 E CA -0.541 55.777 56.400 -0.136 0.000 0.804 288 E CB 0.521 30.190 29.700 -0.052 0.000 1.110 288 E HN 0.274 nan 8.360 nan 0.000 0.394 289 F N 1.598 121.679 119.950 0.218 0.000 2.412 289 F HA 0.088 4.607 4.527 -0.015 0.000 0.348 289 F C 1.430 177.255 175.800 0.042 0.000 1.102 289 F CA -0.668 57.392 58.000 0.100 0.000 1.196 289 F CB 0.594 39.556 39.000 -0.063 0.000 1.144 289 F HN 0.301 nan 8.300 nan 0.000 0.541 290 T N -0.682 114.007 114.554 0.225 0.000 2.766 290 T HA 0.090 4.431 4.350 -0.015 0.000 0.295 290 T C 1.117 175.871 174.700 0.091 0.000 1.024 290 T CA -0.752 61.421 62.100 0.121 0.000 1.018 290 T CB 0.819 69.739 68.868 0.087 0.000 1.002 290 T HN 0.532 nan 8.240 nan 0.000 0.532 291 E N 1.059 121.289 120.200 0.051 0.000 2.110 291 E HA -0.129 4.212 4.350 -0.015 0.000 0.193 291 E C 2.045 178.645 176.600 0.001 0.000 0.988 291 E CA 1.511 57.924 56.400 0.023 0.000 0.804 291 E CB -0.336 29.373 29.700 0.014 0.000 0.745 291 E HN 0.847 nan 8.360 nan 0.000 0.458 292 E N 0.973 121.177 120.200 0.006 0.000 2.106 292 E HA -0.143 4.198 4.350 -0.015 0.000 0.192 292 E C 2.029 178.611 176.600 -0.030 0.000 0.984 292 E CA 1.030 57.423 56.400 -0.012 0.000 0.806 292 E CB -0.152 29.546 29.700 -0.005 0.000 0.750 292 E HN 0.346 nan 8.360 nan 0.000 0.458 293 E N 1.072 121.268 120.200 -0.007 0.000 2.077 293 E HA -0.179 4.163 4.350 -0.015 0.000 0.193 293 E C 1.875 178.367 176.600 -0.180 0.000 0.989 293 E CA 1.064 57.436 56.400 -0.046 0.000 0.800 293 E CB -0.028 29.719 29.700 0.077 0.000 0.746 293 E HN 0.173 nan 8.360 nan 0.000 0.452 294 K N 0.642 120.952 120.400 -0.150 0.000 2.063 294 K HA -0.166 4.145 4.320 -0.015 0.000 0.208 294 K C 2.020 178.516 176.600 -0.173 0.000 1.048 294 K CA 1.104 57.259 56.287 -0.220 0.000 0.928 294 K CB -0.002 32.434 32.500 -0.107 0.000 0.713 294 K HN -0.123 nan 8.250 nan 0.000 0.442 295 K N 0.225 120.563 120.400 -0.104 0.000 2.097 295 K HA -0.010 4.301 4.320 -0.015 0.000 0.206 295 K C 1.893 178.452 176.600 -0.068 0.000 1.049 295 K CA 1.231 57.473 56.287 -0.076 0.000 0.933 295 K CB -0.065 32.404 32.500 -0.051 0.000 0.717 295 K HN 0.102 nan 8.250 nan 0.000 0.442 296 M N -0.459 119.091 119.600 -0.084 0.000 2.388 296 M HA 0.121 4.592 4.480 -0.015 0.000 0.265 296 M C 1.963 178.287 176.300 0.040 0.000 1.088 296 M CA 0.967 56.245 55.300 -0.038 0.000 1.134 296 M CB -0.358 32.177 32.600 -0.110 0.000 1.384 296 M HN 0.016 nan 8.290 nan 0.000 0.447 297 I N -0.494 119.987 120.570 -0.149 0.000 2.480 297 I HA -0.117 4.045 4.170 -0.015 0.000 0.251 297 I C 1.319 177.266 176.117 -0.283 0.000 1.124 297 I CA 0.240 61.390 61.300 -0.249 0.000 1.444 297 I CB -0.111 37.596 38.000 -0.488 0.000 1.098 297 I HN 0.159 nan 8.210 nan 0.000 0.428 298 K N 2.011 122.263 120.400 -0.246 0.000 2.491 298 K HA 0.034 4.345 4.320 -0.015 0.000 0.279 298 K C 0.726 177.136 176.600 -0.316 0.000 1.026 298 K CA 0.957 57.104 56.287 -0.234 0.000 1.070 298 K CB 0.090 32.498 32.500 -0.153 0.000 0.887 298 K HN 0.390 nan 8.250 nan 0.000 0.481 299 G N 3.250 111.823 108.800 -0.380 0.000 2.225 299 G HA2 -0.234 3.717 3.960 -0.015 0.000 0.264 299 G HA3 -0.234 3.717 3.960 -0.015 0.000 0.264 299 G C 0.206 174.503 174.900 -1.004 0.000 1.060 299 G CA 0.518 45.317 45.100 -0.502 0.000 0.833 299 G HN 0.795 nan 8.290 nan 0.000 0.498 300 T N -3.410 110.491 114.554 -1.088 0.000 3.258 300 T HA 0.744 5.085 4.350 -0.015 0.000 0.259 300 T C 0.405 174.375 174.700 -1.217 0.000 0.963 300 T CA 0.765 61.851 62.100 -1.690 0.000 0.919 300 T CB 1.054 69.352 68.868 -0.950 0.000 1.110 300 T HN 1.804 nan 8.240 nan 0.000 0.550 301 A N 0.234 122.453 122.820 -1.001 0.000 2.455 301 A HA 0.647 4.958 4.320 -0.015 0.000 0.300 301 A C -0.125 177.302 177.584 -0.262 0.000 1.040 301 A CA -0.740 50.920 52.037 -0.628 0.000 0.697 301 A CB 1.304 19.582 19.000 -1.203 0.000 1.265 301 A HN 0.151 nan 8.150 nan 0.000 0.407 302 D N 0.438 120.861 120.400 0.039 0.000 2.354 302 D HA 0.257 4.889 4.640 -0.015 0.000 0.209 302 D C -0.025 176.487 176.300 0.352 0.000 1.015 302 D CA 1.478 55.632 54.000 0.257 0.000 0.867 302 D CB 0.103 41.128 40.800 0.375 0.000 0.933 302 D HN 0.555 nan 8.370 nan 0.000 0.520 303 F N -2.360 117.646 119.950 0.093 0.000 2.741 303 F HA 0.477 4.995 4.527 -0.015 0.000 0.313 303 F C -1.578 174.378 175.800 0.261 0.000 1.153 303 F CA -1.750 56.319 58.000 0.115 0.000 0.931 303 F CB 1.010 39.922 39.000 -0.146 0.000 1.335 303 F HN -0.304 nan 8.300 nan 0.000 0.460 304 F N 2.120 122.181 119.950 0.185 0.000 2.391 304 F HA 0.755 5.273 4.527 -0.015 0.000 0.359 304 F C -0.165 175.672 175.800 0.062 0.000 1.122 304 F CA -0.602 57.394 58.000 -0.006 0.000 1.120 304 F CB 1.015 39.876 39.000 -0.232 0.000 1.142 304 F HN 0.820 nan 8.300 nan 0.000 0.483 305 A N 6.554 129.315 122.820 -0.098 0.000 2.258 305 A HA 0.658 4.969 4.320 -0.015 0.000 0.316 305 A C -1.405 176.237 177.584 0.097 0.000 1.279 305 A CA -0.603 51.494 52.037 0.100 0.000 0.876 305 A CB 1.047 20.030 19.000 -0.029 0.000 1.170 305 A HN 0.621 nan 8.150 nan 0.000 0.520 306 V N 3.131 123.208 119.914 0.272 0.000 2.769 306 V HA 0.551 4.662 4.120 -0.015 0.000 0.312 306 V C -0.913 175.282 176.094 0.168 0.000 1.061 306 V CA -0.486 61.969 62.300 0.258 0.000 0.931 306 V CB 2.081 34.124 31.823 0.366 0.000 1.010 306 V HN 0.940 nan 8.190 nan 0.000 0.433 307 Q N 5.208 125.084 119.800 0.127 0.000 2.320 307 Q HA 0.383 4.714 4.340 -0.015 0.000 0.268 307 Q C -1.896 174.094 176.000 -0.018 0.000 1.023 307 Q CA -0.407 55.441 55.803 0.074 0.000 0.744 307 Q CB 2.603 31.440 28.738 0.165 0.000 1.246 307 Q HN 0.759 nan 8.270 nan 0.000 0.462 308 Y N 1.669 121.824 120.300 -0.242 0.000 2.364 308 Y HA 0.306 4.847 4.550 -0.015 0.000 0.340 308 Y C -0.863 174.768 175.900 -0.448 0.000 0.975 308 Y CA -0.355 57.584 58.100 -0.269 0.000 1.089 308 Y CB 0.921 39.292 38.460 -0.149 0.000 1.192 308 Y HN 0.594 nan 8.280 nan 0.000 0.454 309 Y N 1.859 121.531 120.300 -1.047 0.000 2.572 309 Y HA 0.299 4.840 4.550 -0.015 0.000 0.274 309 Y C 0.763 176.054 175.900 -1.015 0.000 1.135 309 Y CA 0.348 57.972 58.100 -0.793 0.000 1.230 309 Y CB 1.293 39.624 38.460 -0.215 0.000 1.293 309 Y HN 0.612 nan 8.280 nan 0.000 0.501 310 T N -1.120 112.818 114.554 -1.027 0.000 2.718 310 T HA 0.535 4.877 4.350 -0.015 0.000 0.306 310 T C -1.247 173.290 174.700 -0.271 0.000 1.485 310 T CA -0.378 61.451 62.100 -0.453 0.000 0.997 310 T CB 1.518 70.368 68.868 -0.029 0.000 1.504 310 T HN -0.126 nan 8.240 nan 0.000 0.497 311 T N 2.118 116.553 114.554 -0.198 0.000 2.907 311 T HA 0.815 5.157 4.350 -0.015 0.000 0.292 311 T C -1.111 173.579 174.700 -0.017 0.000 1.043 311 T CA -0.883 61.131 62.100 -0.145 0.000 1.003 311 T CB 1.423 70.050 68.868 -0.402 0.000 1.084 311 T HN 0.406 nan 8.240 nan 0.000 0.483 312 R N 0.997 121.538 120.500 0.068 0.000 2.808 312 R HA 0.563 4.894 4.340 -0.015 0.000 0.272 312 R C -1.083 175.282 176.300 0.108 0.000 0.995 312 R CA -0.861 55.341 56.100 0.170 0.000 0.917 312 R CB 1.578 31.889 30.300 0.020 0.000 1.217 312 R HN 0.524 nan 8.270 nan 0.000 0.471 313 L N 2.303 123.503 121.223 -0.038 0.000 2.375 313 L HA 0.476 4.807 4.340 -0.015 0.000 0.271 313 L C 0.121 176.700 176.870 -0.484 0.000 1.107 313 L CA -0.574 54.107 54.840 -0.266 0.000 0.806 313 L CB 0.675 42.482 42.059 -0.420 0.000 1.146 313 L HN 0.241 nan 8.230 nan 0.000 0.447 314 I N 2.678 123.047 120.570 -0.334 0.000 2.465 314 I HA 0.368 4.530 4.170 -0.015 0.000 0.291 314 I C -0.273 175.745 176.117 -0.165 0.000 1.014 314 I CA -0.548 60.605 61.300 -0.245 0.000 1.093 314 I CB 1.895 39.818 38.000 -0.128 0.000 1.267 314 I HN 0.582 nan 8.210 nan 0.000 0.431 315 K N 5.101 125.447 120.400 -0.089 0.000 2.270 315 K HA 0.317 4.629 4.320 -0.015 0.000 0.255 315 K C -0.855 175.801 176.600 0.094 0.000 0.936 315 K CA -0.625 55.703 56.287 0.068 0.000 0.809 315 K CB 1.745 34.372 32.500 0.211 0.000 1.131 315 K HN 0.384 nan 8.250 nan 0.000 0.427 316 Y N 2.969 123.271 120.300 0.003 0.000 2.717 316 Y HA -0.017 4.525 4.550 -0.014 0.000 0.330 316 Y C -0.640 175.260 175.900 -0.000 0.000 1.217 316 Y CA 0.718 58.815 58.100 -0.006 0.000 1.506 316 Y CB 0.576 39.035 38.460 -0.002 0.000 1.268 316 Y HN 0.591 nan 8.280 nan 0.000 0.561 317 Q N 6.054 125.512 119.800 -0.571 0.000 2.414 317 Q HA 0.194 4.525 4.340 -0.015 0.000 0.256 317 Q C -1.138 174.456 176.000 -0.677 0.000 0.974 317 Q CA -0.569 54.905 55.803 -0.549 0.000 0.723 317 Q CB 0.755 29.347 28.738 -0.244 0.000 1.281 317 Q HN 0.847 nan 8.270 nan 0.000 0.470 318 E N 2.478 122.162 120.200 -0.859 0.000 2.415 318 E HA -0.070 4.272 4.350 -0.015 0.000 0.263 318 E C -0.319 176.152 176.600 -0.215 0.000 0.995 318 E CA 0.002 56.122 56.400 -0.467 0.000 0.915 318 E CB 0.597 30.158 29.700 -0.232 0.000 0.951 318 E HN 0.472 nan 8.360 nan 0.000 0.449 319 N N 4.222 122.853 118.700 -0.115 0.000 3.178 319 N HA 0.003 4.734 4.740 -0.015 0.000 0.300 319 N C 0.220 175.708 175.510 -0.036 0.000 1.242 319 N CA 0.170 53.179 53.050 -0.068 0.000 1.192 319 N CB 0.166 38.630 38.487 -0.038 0.000 1.463 319 N HN 0.415 nan 8.380 nan 0.000 0.539 320 K N 0.379 120.751 120.400 -0.047 0.000 2.103 320 K HA -0.129 4.182 4.320 -0.015 0.000 0.207 320 K C 0.988 177.580 176.600 -0.014 0.000 1.048 320 K CA 1.234 57.506 56.287 -0.024 0.000 0.930 320 K CB 0.202 32.684 32.500 -0.031 0.000 0.716 320 K HN 0.181 nan 8.250 nan 0.000 0.444 321 K N -0.433 119.956 120.400 -0.019 0.000 2.444 321 K HA 0.062 4.373 4.320 -0.015 0.000 0.193 321 K C 0.542 177.143 176.600 0.002 0.000 1.024 321 K CA 0.482 56.763 56.287 -0.010 0.000 1.077 321 K CB 0.651 33.141 32.500 -0.016 0.000 0.833 321 K HN 0.330 nan 8.250 nan 0.000 0.517 322 G N 1.891 110.694 108.800 0.005 0.000 2.273 322 G HA2 -0.312 3.640 3.960 -0.015 0.000 0.280 322 G HA3 -0.312 3.640 3.960 -0.015 0.000 0.280 322 G C -0.562 174.357 174.900 0.032 0.000 1.047 322 G CA 0.116 45.230 45.100 0.024 0.000 0.869 322 G HN 0.373 nan 8.290 nan 0.000 0.502 323 E N -1.297 118.913 120.200 0.016 0.000 2.408 323 E HA 0.394 4.736 4.350 -0.015 0.000 0.259 323 E C 0.305 176.932 176.600 0.045 0.000 1.110 323 E CA -0.562 55.851 56.400 0.022 0.000 0.929 323 E CB 0.931 30.625 29.700 -0.009 0.000 0.971 323 E HN 0.271 nan 8.360 nan 0.000 0.438 324 L N 1.427 122.692 121.223 0.070 0.000 2.265 324 L HA 0.594 4.925 4.340 -0.015 0.000 0.289 324 L C -0.158 176.764 176.870 0.086 0.000 1.033 324 L CA 0.488 55.394 54.840 0.110 0.000 0.814 324 L CB 0.790 42.948 42.059 0.165 0.000 1.203 324 L HN 0.576 nan 8.230 nan 0.000 0.423 325 G N 4.057 112.899 108.800 0.068 0.000 2.328 325 G HA2 0.155 4.106 3.960 -0.015 0.000 0.299 325 G HA3 0.155 4.106 3.960 -0.015 0.000 0.299 325 G C 0.163 175.076 174.900 0.021 0.000 1.435 325 G CA -0.380 44.730 45.100 0.017 0.000 0.865 325 G HN 0.536 nan 8.290 nan 0.000 0.601 326 I N 0.250 120.811 120.570 -0.015 0.000 2.286 326 I HA -0.046 4.115 4.170 -0.015 0.000 0.245 326 I C 2.717 178.808 176.117 -0.043 0.000 1.104 326 I CA 0.838 62.160 61.300 0.037 0.000 1.397 326 I CB -0.203 37.799 38.000 0.002 0.000 1.072 326 I HN 0.384 nan 8.210 nan 0.000 0.417 327 L N 0.089 121.268 121.223 -0.073 0.000 2.079 327 L HA -0.256 4.075 4.340 -0.015 0.000 0.210 327 L C 2.607 179.397 176.870 -0.133 0.000 1.081 327 L CA 1.443 56.221 54.840 -0.102 0.000 0.752 327 L CB -0.530 41.489 42.059 -0.066 0.000 0.896 327 L HN 0.275 nan 8.230 nan 0.000 0.433 328 Q N -0.361 119.382 119.800 -0.095 0.000 2.119 328 Q HA -0.176 4.156 4.340 -0.015 0.000 0.201 328 Q C 1.879 177.839 176.000 -0.068 0.000 0.972 328 Q CA 1.328 57.084 55.803 -0.078 0.000 0.847 328 Q CB -0.153 28.559 28.738 -0.044 0.000 0.903 328 Q HN 0.367 nan 8.270 nan 0.000 0.433 329 D N 0.132 120.508 120.400 -0.040 0.000 2.123 329 D HA -0.132 4.499 4.640 -0.015 0.000 0.196 329 D C 1.547 177.722 176.300 -0.208 0.000 0.992 329 D CA 1.543 55.543 54.000 -0.001 0.000 0.833 329 D CB -0.193 40.730 40.800 0.206 0.000 0.954 329 D HN 0.308 nan 8.370 nan 0.000 0.455 330 A N 0.233 122.701 122.820 -0.586 0.000 2.119 330 A HA -0.061 4.250 4.320 -0.015 0.000 0.216 330 A C 0.524 177.919 177.584 -0.314 0.000 1.152 330 A CA 0.442 51.928 52.037 -0.918 0.000 0.708 330 A CB -0.265 18.023 19.000 -1.187 0.000 0.805 330 A HN 0.262 nan 8.150 nan 0.000 0.460 331 E N -1.204 118.884 120.200 -0.186 0.000 2.252 331 E HA -0.223 4.119 4.350 -0.015 0.000 0.218 331 E C -0.367 176.184 176.600 -0.082 0.000 1.253 331 E CA 0.713 57.051 56.400 -0.103 0.000 0.705 331 E CB -1.989 27.725 29.700 0.024 0.000 1.172 331 E HN 0.868 nan 8.360 nan 0.000 0.369 332 I N -2.523 117.982 120.570 -0.108 0.000 3.239 332 I HA 0.662 4.823 4.170 -0.015 0.000 0.314 332 I C -0.452 175.631 176.117 -0.056 0.000 1.126 332 I CA -0.909 60.357 61.300 -0.057 0.000 0.973 332 I CB 1.988 39.967 38.000 -0.035 0.000 1.252 332 I HN 0.079 nan 8.210 nan 0.000 0.463 333 E N 1.638 121.827 120.200 -0.018 0.000 2.367 333 E HA 0.646 4.987 4.350 -0.015 0.000 0.273 333 E C -1.649 174.960 176.600 0.014 0.000 0.903 333 E CA -0.780 55.607 56.400 -0.020 0.000 0.764 333 E CB 2.319 32.016 29.700 -0.005 0.000 1.252 333 E HN 0.652 nan 8.360 nan 0.000 0.446 334 F N 0.658 120.568 119.950 -0.068 0.000 2.546 334 F HA 0.878 5.398 4.527 -0.012 0.000 0.320 334 F C -1.253 174.522 175.800 -0.042 0.000 1.076 334 F CA -1.179 56.703 58.000 -0.196 0.000 0.928 334 F CB 1.239 40.139 39.000 -0.165 0.000 1.189 334 F HN 0.532 nan 8.300 nan 0.000 0.465 335 F N -0.408 119.599 119.950 0.094 0.000 2.719 335 F HA 0.817 5.338 4.527 -0.009 0.000 0.309 335 F C -3.317 172.446 175.800 -0.062 0.000 1.138 335 F CA -2.688 55.292 58.000 -0.032 0.000 0.943 335 F CB 0.900 39.822 39.000 -0.129 0.000 1.304 335 F HN 0.360 nan 8.300 nan 0.000 0.445 336 P HA 0.125 nan 4.420 nan 0.000 0.278 336 P C -1.054 175.987 177.300 -0.433 0.000 1.258 336 P CA -0.085 62.836 63.100 -0.298 0.000 0.811 336 P CB 1.178 32.420 31.700 -0.763 0.000 1.063 337 D N 1.715 121.366 120.400 -1.249 0.000 2.390 337 D HA 0.036 4.667 4.640 -0.015 0.000 0.249 337 D C -1.109 174.814 176.300 -0.628 0.000 1.144 337 D CA -1.728 51.643 54.000 -1.048 0.000 0.880 337 D CB 0.794 40.574 40.800 -1.700 0.000 1.182 337 D HN 0.162 nan 8.370 nan 0.000 0.451 338 P HA -0.169 nan 4.420 nan 0.000 0.218 338 P C 1.160 178.439 177.300 -0.035 0.000 1.146 338 P CA 0.976 64.015 63.100 -0.102 0.000 0.813 338 P CB 0.070 31.727 31.700 -0.072 0.000 0.778 339 S N -3.232 112.412 115.700 -0.093 0.000 2.489 339 S HA -0.059 4.402 4.470 -0.015 0.000 0.228 339 S C 0.672 175.413 174.600 0.235 0.000 0.995 339 S CA -0.229 58.004 58.200 0.055 0.000 0.934 339 S CB -0.864 62.376 63.200 0.067 0.000 0.771 339 S HN 0.026 nan 8.310 nan 0.000 0.522 340 W N 3.307 124.710 121.300 0.173 0.000 2.238 340 W HA 0.483 5.136 4.660 -0.011 0.000 0.321 340 W C 0.624 177.253 176.519 0.184 0.000 1.293 340 W CA -2.007 55.454 57.345 0.193 0.000 1.204 340 W CB 0.196 29.808 29.460 0.254 0.000 1.167 340 W HN 0.099 nan 8.180 nan 0.000 0.553 341 K N 3.128 123.694 120.400 0.277 0.000 2.168 341 K HA 0.182 4.493 4.320 -0.015 0.000 0.258 341 K C 0.426 176.973 176.600 -0.088 0.000 1.010 341 K CA -0.318 56.013 56.287 0.073 0.000 0.929 341 K CB 0.685 33.180 32.500 -0.008 0.000 0.998 341 K HN 0.517 nan 8.250 nan 0.000 0.479 342 N N -0.932 117.618 118.700 -0.249 0.000 2.598 342 N HA 0.194 4.925 4.740 -0.015 0.000 0.263 342 N C -1.734 173.569 175.510 -0.345 0.000 1.254 342 N CA -0.671 52.071 53.050 -0.513 0.000 0.863 342 N CB 1.406 39.121 38.487 -1.287 0.000 1.586 342 N HN 0.144 nan 8.380 nan 0.000 0.491 343 V N 1.682 121.385 119.914 -0.351 0.000 2.444 343 V HA 0.291 4.402 4.120 -0.015 0.000 0.294 343 V C 0.795 176.694 176.094 -0.324 0.000 1.022 343 V CA -0.288 61.847 62.300 -0.274 0.000 0.850 343 V CB 0.687 32.368 31.823 -0.236 0.000 0.992 343 V HN 0.976 nan 8.190 nan 0.000 0.426 344 D N 3.251 123.527 120.400 -0.206 0.000 3.574 344 D HA -0.267 4.365 4.640 -0.015 0.000 0.153 344 D C 1.118 177.383 176.300 -0.059 0.000 0.965 344 D CA 2.614 56.564 54.000 -0.083 0.000 1.047 344 D CB -0.273 40.517 40.800 -0.016 0.000 0.492 344 D HN 0.725 nan 8.370 nan 0.000 0.492 345 W N 0.629 121.956 121.300 0.044 0.000 3.047 345 W HA 0.255 4.906 4.660 -0.016 0.000 0.250 345 W C 0.680 177.302 176.519 0.171 0.000 1.314 345 W CA -0.323 57.120 57.345 0.165 0.000 1.540 345 W CB -0.572 28.972 29.460 0.141 0.000 1.127 345 W HN 0.018 nan 8.180 nan 0.000 0.679 346 I N 2.163 122.392 120.570 -0.568 0.000 2.243 346 I HA 0.107 4.268 4.170 -0.015 0.000 0.297 346 I C -0.504 175.442 176.117 -0.284 0.000 1.161 346 I CA -0.753 60.231 61.300 -0.525 0.000 1.298 346 I CB -0.972 36.600 38.000 -0.714 0.000 1.475 346 I HN -0.193 nan 8.210 nan 0.000 0.561 347 Y N 4.065 124.315 120.300 -0.084 0.000 2.335 347 Y HA 0.270 4.811 4.550 -0.014 0.000 0.331 347 Y C 0.613 176.386 175.900 -0.211 0.000 1.094 347 Y CA -0.604 57.468 58.100 -0.047 0.000 1.253 347 Y CB 0.792 39.358 38.460 0.178 0.000 1.203 347 Y HN 0.138 nan 8.280 nan 0.000 0.508 348 V N 5.593 125.407 119.914 -0.165 0.000 2.381 348 V HA 0.088 4.199 4.120 -0.015 0.000 0.257 348 V C -0.217 175.644 176.094 -0.388 0.000 1.057 348 V CA -0.238 61.883 62.300 -0.297 0.000 1.013 348 V CB -0.211 31.198 31.823 -0.691 0.000 1.069 348 V HN 0.550 nan 8.190 nan 0.000 0.484 349 V N 7.429 127.072 119.914 -0.451 0.000 2.467 349 V HA 0.216 4.327 4.120 -0.015 0.000 0.260 349 V C -1.728 174.025 176.094 -0.569 0.000 0.963 349 V CA -0.866 60.958 62.300 -0.794 0.000 0.856 349 V CB 1.206 32.226 31.823 -1.338 0.000 1.087 349 V HN 0.613 nan 8.190 nan 0.000 0.467 350 P HA -0.138 nan 4.420 nan 0.000 0.216 350 P C 1.723 178.934 177.300 -0.150 0.000 1.150 350 P CA 1.513 64.550 63.100 -0.104 0.000 0.837 350 P CB 0.058 31.753 31.700 -0.008 0.000 0.786 351 W N -0.645 120.608 121.300 -0.078 0.000 2.468 351 W HA 0.060 4.710 4.660 -0.016 0.000 0.262 351 W C 1.573 177.962 176.519 -0.217 0.000 1.241 351 W CA 0.668 57.943 57.345 -0.116 0.000 1.232 351 W CB -2.236 27.185 29.460 -0.066 0.000 1.124 351 W HN -0.093 nan 8.180 nan 0.000 0.597 352 G N 1.899 110.337 108.800 -0.603 0.000 2.442 352 G HA2 -0.300 3.651 3.960 -0.015 0.000 0.219 352 G HA3 -0.300 3.651 3.960 -0.015 0.000 0.219 352 G C 1.580 176.028 174.900 -0.754 0.000 1.141 352 G CA 1.665 46.440 45.100 -0.543 0.000 0.763 352 G HN 0.243 nan 8.290 nan 0.000 0.554 353 V N -0.096 119.249 119.914 -0.949 0.000 2.515 353 V HA -0.151 3.960 4.120 -0.015 0.000 0.250 353 V C 2.800 178.612 176.094 -0.469 0.000 1.058 353 V CA 2.014 63.755 62.300 -0.932 0.000 1.064 353 V CB -0.409 31.008 31.823 -0.676 0.000 0.675 353 V HN 0.523 nan 8.190 nan 0.000 0.461 354 C N 0.066 119.174 119.300 -0.320 0.000 2.453 354 C HA -0.087 4.364 4.460 -0.015 0.000 0.277 354 C C 2.816 177.607 174.990 -0.332 0.000 1.262 354 C CA 1.170 60.056 59.018 -0.220 0.000 1.718 354 C CB -1.023 26.658 27.740 -0.099 0.000 2.031 354 C HN 0.519 nan 8.230 nan 0.000 0.480 355 K N 0.429 120.525 120.400 -0.505 0.000 2.063 355 K HA -0.154 4.157 4.320 -0.015 0.000 0.208 355 K C 1.831 177.784 176.600 -1.078 0.000 1.048 355 K CA 1.194 56.954 56.287 -0.878 0.000 0.928 355 K CB -0.902 30.744 32.500 -1.423 0.000 0.713 355 K HN 0.501 nan 8.250 nan 0.000 0.442 356 L N 1.559 122.232 121.223 -0.916 0.000 2.017 356 L HA -0.136 4.195 4.340 -0.015 0.000 0.208 356 L C 2.164 178.923 176.870 -0.186 0.000 1.073 356 L CA 1.450 56.053 54.840 -0.393 0.000 0.745 356 L CB -0.595 41.345 42.059 -0.199 0.000 0.894 356 L HN 0.067 nan 8.230 nan 0.000 0.432 357 L N -0.487 120.605 121.223 -0.219 0.000 2.046 357 L HA -0.225 4.106 4.340 -0.015 0.000 0.208 357 L C 2.610 179.402 176.870 -0.129 0.000 1.077 357 L CA 1.557 56.313 54.840 -0.139 0.000 0.747 357 L CB -0.667 41.330 42.059 -0.104 0.000 0.896 357 L HN 0.278 nan 8.230 nan 0.000 0.432 358 K N -0.163 120.146 120.400 -0.152 0.000 2.057 358 K HA -0.249 4.063 4.320 -0.015 0.000 0.207 358 K C 2.107 178.662 176.600 -0.074 0.000 1.049 358 K CA 1.534 57.751 56.287 -0.116 0.000 0.931 358 K CB -0.656 31.770 32.500 -0.123 0.000 0.714 358 K HN 0.217 nan 8.250 nan 0.000 0.440 359 Y N 0.712 120.913 120.300 -0.165 0.000 2.128 359 Y HA -0.166 4.376 4.550 -0.014 0.000 0.284 359 Y C 1.737 177.591 175.900 -0.077 0.000 1.154 359 Y CA 2.130 60.203 58.100 -0.044 0.000 1.149 359 Y CB -0.137 38.406 38.460 0.138 0.000 0.976 359 Y HN 0.043 nan 8.280 nan 0.000 0.505 360 I N 0.227 120.764 120.570 -0.056 0.000 2.226 360 I HA -0.322 3.839 4.170 -0.015 0.000 0.245 360 I C 2.589 178.565 176.117 -0.235 0.000 1.100 360 I CA 1.760 62.912 61.300 -0.247 0.000 1.374 360 I CB -0.504 37.171 38.000 -0.542 0.000 1.057 360 I HN 0.165 nan 8.210 nan 0.000 0.413 361 K N 0.973 121.264 120.400 -0.181 0.000 2.032 361 K HA -0.243 4.069 4.320 -0.015 0.000 0.209 361 K C 1.574 178.077 176.600 -0.162 0.000 1.048 361 K CA 2.110 58.316 56.287 -0.135 0.000 0.927 361 K CB -0.060 32.380 32.500 -0.100 0.000 0.712 361 K HN 0.229 nan 8.250 nan 0.000 0.441 362 D N -0.491 119.783 120.400 -0.210 0.000 2.224 362 D HA -0.068 4.563 4.640 -0.015 0.000 0.205 362 D C 1.522 177.616 176.300 -0.343 0.000 0.965 362 D CA 1.190 55.051 54.000 -0.231 0.000 0.852 362 D CB 0.046 40.723 40.800 -0.205 0.000 0.947 362 D HN 0.285 nan 8.370 nan 0.000 0.494 363 T N -1.065 113.169 114.554 -0.533 0.000 3.039 363 T HA 0.002 4.343 4.350 -0.015 0.000 0.250 363 T C 0.602 174.749 174.700 -0.922 0.000 1.052 363 T CA 0.302 61.914 62.100 -0.814 0.000 1.125 363 T CB 0.113 68.244 68.868 -1.228 0.000 0.908 363 T HN 0.118 nan 8.240 nan 0.000 0.473 364 Y N 1.847 121.999 120.300 -0.246 0.000 2.734 364 Y HA 0.380 4.921 4.550 -0.015 0.000 0.278 364 Y C 0.331 176.184 175.900 -0.079 0.000 1.108 364 Y CA -1.441 56.562 58.100 -0.161 0.000 1.211 364 Y CB -0.594 37.695 38.460 -0.286 0.000 1.182 364 Y HN 0.037 nan 8.280 nan 0.000 0.547 365 N N 1.424 120.106 118.700 -0.031 0.000 2.740 365 N HA -0.271 4.460 4.740 -0.015 0.000 0.248 365 N C -0.438 175.086 175.510 0.023 0.000 1.062 365 N CA 1.161 54.212 53.050 0.002 0.000 0.704 365 N CB -1.568 36.947 38.487 0.047 0.000 0.968 365 N HN 0.634 nan 8.380 nan 0.000 0.547 366 N N -1.832 116.863 118.700 -0.009 0.000 2.671 366 N HA -0.128 4.603 4.740 -0.015 0.000 0.261 366 N C -2.431 173.108 175.510 0.048 0.000 1.053 366 N CA 0.963 54.013 53.050 0.001 0.000 0.732 366 N CB 0.038 38.524 38.487 -0.002 0.000 0.887 366 N HN 0.425 nan 8.380 nan 0.000 0.546 367 P HA 0.207 nan 4.420 nan 0.000 0.278 367 P C -0.167 177.223 177.300 0.150 0.000 1.266 367 P CA -0.616 62.570 63.100 0.144 0.000 0.807 367 P CB 0.758 32.574 31.700 0.193 0.000 1.094 368 V N 1.973 122.006 119.914 0.198 0.000 2.540 368 V HA -0.010 4.102 4.120 -0.015 0.000 0.297 368 V C 0.803 177.073 176.094 0.293 0.000 1.024 368 V CA 0.663 63.092 62.300 0.215 0.000 1.105 368 V CB -0.623 31.316 31.823 0.194 0.000 0.938 368 V HN 0.292 nan 8.190 nan 0.000 0.482 369 I N 5.672 126.415 120.570 0.288 0.000 2.406 369 I HA 0.407 4.568 4.170 -0.015 0.000 0.290 369 I C -1.039 175.373 176.117 0.491 0.000 0.999 369 I CA -0.665 60.846 61.300 0.352 0.000 1.124 369 I CB 1.587 39.712 38.000 0.207 0.000 1.289 369 I HN 0.412 nan 8.210 nan 0.000 0.441 370 Y N 6.007 126.461 120.300 0.256 0.000 2.335 370 Y HA 0.465 5.006 4.550 -0.015 0.000 0.338 370 Y C 0.209 176.208 175.900 0.165 0.000 0.977 370 Y CA -1.453 56.731 58.100 0.139 0.000 1.114 370 Y CB 1.486 40.043 38.460 0.162 0.000 1.182 370 Y HN 0.362 nan 8.280 nan 0.000 0.463 371 I N 3.987 124.694 120.570 0.228 0.000 2.294 371 I HA 0.041 4.203 4.170 -0.015 0.000 0.295 371 I C 0.998 177.162 176.117 0.079 0.000 1.098 371 I CA 0.122 61.522 61.300 0.167 0.000 1.277 371 I CB 0.621 38.737 38.000 0.193 0.000 1.434 371 I HN 0.703 nan 8.210 nan 0.000 0.498 372 T N 1.354 115.990 114.554 0.136 0.000 3.081 372 T HA 0.207 4.548 4.350 -0.015 0.000 0.255 372 T C 0.504 175.269 174.700 0.109 0.000 1.113 372 T CA 0.223 62.402 62.100 0.132 0.000 1.082 372 T CB 0.028 69.011 68.868 0.191 0.000 0.939 372 T HN 0.541 nan 8.240 nan 0.000 0.506 373 E N 0.838 121.067 120.200 0.048 0.000 2.335 373 E HA 0.466 4.807 4.350 -0.015 0.000 0.280 373 E C -1.425 175.038 176.600 -0.229 0.000 0.918 373 E CA -0.824 55.591 56.400 0.026 0.000 0.765 373 E CB 1.891 31.667 29.700 0.126 0.000 1.218 373 E HN 0.229 nan 8.360 nan 0.000 0.425 374 N N 1.505 120.049 118.700 -0.260 0.000 2.555 374 N HA 0.574 5.306 4.740 -0.015 0.000 0.265 374 N C -1.281 174.165 175.510 -0.107 0.000 1.135 374 N CA -0.177 52.621 53.050 -0.420 0.000 0.925 374 N CB 2.259 40.740 38.487 -0.011 0.000 1.662 374 N HN 0.662 nan 8.380 nan 0.000 0.489 375 G N 0.862 109.486 108.800 -0.293 0.000 2.340 375 G HA2 0.530 4.481 3.960 -0.015 0.000 0.299 375 G HA3 0.530 4.481 3.960 -0.015 0.000 0.299 375 G C -2.314 172.316 174.900 -0.451 0.000 1.291 375 G CA -0.613 44.472 45.100 -0.024 0.000 0.841 375 G HN 0.325 nan 8.290 nan 0.000 0.500 376 F N 0.886 120.950 119.950 0.189 0.000 2.574 376 F HA 0.619 5.137 4.527 -0.015 0.000 0.313 376 F C -2.264 173.304 175.800 -0.387 0.000 1.130 376 F CA -1.563 56.361 58.000 -0.127 0.000 0.936 376 F CB 3.092 41.938 39.000 -0.256 0.000 1.219 376 F HN 0.278 nan 8.300 nan 0.000 0.445 377 P HA 0.334 nan 4.420 nan 0.000 0.285 377 P C -1.605 175.474 177.300 -0.367 0.000 1.269 377 P CA -0.652 61.893 63.100 -0.925 0.000 0.844 377 P CB 1.639 32.551 31.700 -1.312 0.000 1.094 378 Q N 0.103 119.745 119.800 -0.263 0.000 2.342 378 Q HA 0.413 4.744 4.340 -0.015 0.000 0.267 378 Q C -0.259 175.678 176.000 -0.105 0.000 1.038 378 Q CA -0.784 54.933 55.803 -0.143 0.000 0.832 378 Q CB 1.790 30.467 28.738 -0.102 0.000 1.323 378 Q HN 0.374 nan 8.270 nan 0.000 0.448 379 S N 1.394 117.050 115.700 -0.075 0.000 2.562 379 S HA 0.001 4.462 4.470 -0.015 0.000 0.281 379 S C -0.463 174.141 174.600 0.008 0.000 1.333 379 S CA -0.171 57.997 58.200 -0.053 0.000 1.052 379 S CB 0.368 63.541 63.200 -0.044 0.000 0.884 379 S HN 0.509 nan 8.310 nan 0.000 0.506 380 D N 2.617 123.022 120.400 0.009 0.000 2.277 380 D HA 0.478 5.109 4.640 -0.015 0.000 0.249 380 D C -1.946 174.405 176.300 0.085 0.000 1.134 380 D CA -1.131 52.916 54.000 0.078 0.000 0.863 380 D CB 0.582 41.431 40.800 0.081 0.000 1.143 380 D HN 0.196 nan 8.370 nan 0.000 0.458 381 P HA 0.708 nan 4.420 nan 0.000 0.288 381 P C -1.906 175.479 177.300 0.140 0.000 1.300 381 P CA -1.067 62.125 63.100 0.154 0.000 0.910 381 P CB 1.966 33.760 31.700 0.156 0.000 1.256 382 A N 1.104 124.039 122.820 0.191 0.000 2.466 382 A HA 0.610 4.921 4.320 -0.015 0.000 0.284 382 A C -2.835 174.900 177.584 0.252 0.000 1.049 382 A CA -1.109 51.059 52.037 0.217 0.000 0.760 382 A CB 0.874 20.065 19.000 0.317 0.000 1.274 382 A HN 0.451 nan 8.150 nan 0.000 0.412 383 P HA 0.231 nan 4.420 nan 0.000 0.271 383 P C 0.789 178.234 177.300 0.242 0.000 1.216 383 P CA -0.285 62.897 63.100 0.137 0.000 0.776 383 P CB 0.957 32.704 31.700 0.078 0.000 0.881 384 L N 0.792 122.077 121.223 0.104 0.000 2.093 384 L HA -0.106 4.226 4.340 -0.015 0.000 0.208 384 L C 1.196 178.150 176.870 0.140 0.000 1.085 384 L CA 1.394 56.272 54.840 0.063 0.000 0.755 384 L CB -0.456 41.510 42.059 -0.155 0.000 0.904 384 L HN 0.406 nan 8.230 nan 0.000 0.435 385 D N 1.067 121.506 120.400 0.066 0.000 2.558 385 D HA -0.013 4.618 4.640 -0.015 0.000 0.221 385 D C -0.219 176.113 176.300 0.054 0.000 1.143 385 D CA -0.323 53.700 54.000 0.038 0.000 1.010 385 D CB 0.021 40.820 40.800 -0.001 0.000 1.068 385 D HN 0.191 nan 8.370 nan 0.000 0.511 386 D N 1.624 122.077 120.400 0.089 0.000 2.845 386 D HA -0.052 4.579 4.640 -0.015 0.000 0.235 386 D C 1.159 177.479 176.300 0.034 0.000 1.158 386 D CA -0.236 53.792 54.000 0.046 0.000 0.990 386 D CB -0.039 40.766 40.800 0.009 0.000 1.094 386 D HN 0.264 nan 8.370 nan 0.000 0.486 387 T N -1.837 112.726 114.554 0.016 0.000 2.788 387 T HA -0.305 4.037 4.350 -0.015 0.000 0.268 387 T C 1.780 176.448 174.700 -0.053 0.000 1.044 387 T CA 1.395 63.514 62.100 0.031 0.000 1.139 387 T CB -0.227 68.648 68.868 0.012 0.000 0.867 387 T HN 0.318 nan 8.240 nan 0.000 0.454 388 Q N 1.287 120.992 119.800 -0.159 0.000 2.050 388 Q HA -0.097 4.234 4.340 -0.015 0.000 0.202 388 Q C 2.570 178.107 176.000 -0.772 0.000 0.980 388 Q CA 1.482 57.056 55.803 -0.382 0.000 0.840 388 Q CB -0.227 28.331 28.738 -0.299 0.000 0.898 388 Q HN 0.610 nan 8.270 nan 0.000 0.424 389 R N -0.508 119.684 120.500 -0.514 0.000 2.081 389 R HA -0.173 4.158 4.340 -0.015 0.000 0.235 389 R C 2.160 178.292 176.300 -0.279 0.000 1.131 389 R CA 1.532 57.328 56.100 -0.507 0.000 0.960 389 R CB -0.664 29.572 30.300 -0.107 0.000 0.856 389 R HN 0.627 nan 8.270 nan 0.000 0.436 390 W N 1.825 123.028 121.300 -0.162 0.000 2.342 390 W HA -0.237 4.415 4.660 -0.014 0.000 0.297 390 W C 1.506 177.982 176.519 -0.071 0.000 1.213 390 W CA 1.793 59.146 57.345 0.014 0.000 1.251 390 W CB -0.064 29.395 29.460 -0.001 0.000 1.136 390 W HN 0.204 nan 8.180 nan 0.000 0.526 391 E N 0.383 120.362 120.200 -0.368 0.000 2.118 391 E HA -0.270 4.072 4.350 -0.015 0.000 0.195 391 E C 1.835 178.168 176.600 -0.445 0.000 0.992 391 E CA 2.042 58.198 56.400 -0.406 0.000 0.804 391 E CB -1.152 28.371 29.700 -0.295 0.000 0.741 391 E HN 0.293 nan 8.360 nan 0.000 0.458 392 Y N -0.602 119.336 120.300 -0.603 0.000 2.181 392 Y HA -0.107 4.435 4.550 -0.014 0.000 0.288 392 Y C 2.133 177.510 175.900 -0.871 0.000 1.146 392 Y CA 0.870 58.415 58.100 -0.925 0.000 1.164 392 Y CB -1.105 36.275 38.460 -1.800 0.000 0.982 392 Y HN 0.073 nan 8.280 nan 0.000 0.515 393 F N 0.082 119.606 119.950 -0.710 0.000 2.075 393 F HA -0.188 4.330 4.527 -0.014 0.000 0.297 393 F C 2.688 177.755 175.800 -1.221 0.000 1.113 393 F CA 1.808 59.256 58.000 -0.920 0.000 1.218 393 F CB -0.718 37.617 39.000 -1.108 0.000 0.984 393 F HN -0.115 nan 8.300 nan 0.000 0.472 394 R N 0.370 120.324 120.500 -0.909 0.000 2.096 394 R HA -0.225 4.106 4.340 -0.015 0.000 0.240 394 R C 2.169 178.349 176.300 -0.201 0.000 1.139 394 R CA 1.971 57.798 56.100 -0.455 0.000 0.952 394 R CB -0.350 29.723 30.300 -0.378 0.000 0.854 394 R HN 0.368 nan 8.270 nan 0.000 0.436 395 Q N -1.018 118.657 119.800 -0.208 0.000 2.084 395 Q HA -0.138 4.193 4.340 -0.015 0.000 0.202 395 Q C 2.010 177.987 176.000 -0.039 0.000 0.978 395 Q CA 2.122 57.881 55.803 -0.074 0.000 0.844 395 Q CB 0.008 28.715 28.738 -0.052 0.000 0.898 395 Q HN 0.407 nan 8.270 nan 0.000 0.426 396 T N 0.703 115.180 114.554 -0.129 0.000 2.746 396 T HA -0.112 4.229 4.350 -0.015 0.000 0.267 396 T C 1.345 176.079 174.700 0.056 0.000 1.039 396 T CA 1.049 63.115 62.100 -0.056 0.000 1.142 396 T CB -0.240 68.597 68.868 -0.053 0.000 0.866 396 T HN 0.148 nan 8.240 nan 0.000 0.444 397 F N 1.898 121.907 119.950 0.098 0.000 2.171 397 F HA -0.039 4.480 4.527 -0.014 0.000 0.300 397 F C 2.589 178.555 175.800 0.277 0.000 1.090 397 F CA 0.468 58.580 58.000 0.186 0.000 1.293 397 F CB -1.163 37.917 39.000 0.134 0.000 1.013 397 F HN 0.224 nan 8.300 nan 0.000 0.486 398 Q N -0.109 119.888 119.800 0.328 0.000 2.124 398 Q HA -0.177 4.154 4.340 -0.015 0.000 0.202 398 Q C 2.070 178.213 176.000 0.238 0.000 0.977 398 Q CA 1.392 57.343 55.803 0.246 0.000 0.850 398 Q CB -0.184 28.636 28.738 0.138 0.000 0.901 398 Q HN 0.355 nan 8.270 nan 0.000 0.429 399 E N 0.564 120.874 120.200 0.183 0.000 2.107 399 E HA -0.103 4.238 4.350 -0.015 0.000 0.191 399 E C 2.099 178.771 176.600 0.119 0.000 0.982 399 E CA 0.692 57.165 56.400 0.123 0.000 0.809 399 E CB -0.057 29.686 29.700 0.071 0.000 0.756 399 E HN 0.405 nan 8.360 nan 0.000 0.459 400 L N -0.082 121.269 121.223 0.214 0.000 2.046 400 L HA -0.147 4.184 4.340 -0.015 0.000 0.208 400 L C 2.482 179.401 176.870 0.080 0.000 1.077 400 L CA 1.040 56.014 54.840 0.222 0.000 0.747 400 L CB -0.506 41.816 42.059 0.437 0.000 0.896 400 L HN 0.045 nan 8.230 nan 0.000 0.432 401 F N 1.174 121.076 119.950 -0.079 0.000 2.134 401 F HA -0.246 4.272 4.527 -0.015 0.000 0.299 401 F C 2.655 178.318 175.800 -0.228 0.000 1.097 401 F CA 1.776 59.538 58.000 -0.396 0.000 1.264 401 F CB -0.157 38.656 39.000 -0.311 0.000 1.001 401 F HN -0.105 nan 8.300 nan 0.000 0.479 402 K N 0.372 120.758 120.400 -0.023 0.000 2.032 402 K HA -0.199 4.112 4.320 -0.015 0.000 0.209 402 K C 2.248 178.745 176.600 -0.172 0.000 1.048 402 K CA 1.340 57.571 56.287 -0.094 0.000 0.927 402 K CB -0.506 32.004 32.500 0.017 0.000 0.712 402 K HN 0.323 nan 8.250 nan 0.000 0.441 403 A N 1.315 124.058 122.820 -0.127 0.000 1.908 403 A HA -0.167 4.144 4.320 -0.015 0.000 0.218 403 A C 2.104 179.586 177.584 -0.170 0.000 1.181 403 A CA 1.709 53.672 52.037 -0.125 0.000 0.627 403 A CB -0.576 18.378 19.000 -0.077 0.000 0.818 403 A HN 0.374 nan 8.150 nan 0.000 0.445 404 I N -0.986 119.434 120.570 -0.250 0.000 2.233 404 I HA -0.226 3.935 4.170 -0.015 0.000 0.243 404 I C 2.800 178.706 176.117 -0.351 0.000 1.093 404 I CA 1.158 62.285 61.300 -0.290 0.000 1.380 404 I CB -0.289 37.477 38.000 -0.390 0.000 1.067 404 I HN 0.338 nan 8.210 nan 0.000 0.413 405 Q N -0.050 119.434 119.800 -0.528 0.000 2.061 405 Q HA -0.082 4.249 4.340 -0.015 0.000 0.195 405 Q C 2.237 178.069 176.000 -0.279 0.000 0.967 405 Q CA 1.242 56.746 55.803 -0.498 0.000 0.829 405 Q CB -0.391 27.851 28.738 -0.827 0.000 0.900 405 Q HN 0.358 nan 8.270 nan 0.000 0.450 406 L N 1.260 122.344 121.223 -0.232 0.000 2.068 406 L HA -0.036 4.295 4.340 -0.015 0.000 0.204 406 L C 1.138 177.938 176.870 -0.117 0.000 1.076 406 L CA 1.838 56.594 54.840 -0.140 0.000 0.753 406 L CB -0.188 41.809 42.059 -0.104 0.000 0.910 406 L HN 0.012 nan 8.230 nan 0.000 0.439 407 D N -0.298 120.027 120.400 -0.125 0.000 2.339 407 D HA 0.007 4.639 4.640 -0.015 0.000 0.217 407 D C 0.181 176.424 176.300 -0.094 0.000 1.050 407 D CA 0.088 54.028 54.000 -0.100 0.000 0.856 407 D CB 0.241 40.983 40.800 -0.098 0.000 0.922 407 D HN 0.137 nan 8.370 nan 0.000 0.518 408 K N 0.118 120.452 120.400 -0.111 0.000 3.035 408 K HA -0.140 4.171 4.320 -0.015 0.000 0.262 408 K C -0.250 176.311 176.600 -0.065 0.000 1.024 408 K CA 0.149 56.382 56.287 -0.091 0.000 0.748 408 K CB -2.562 29.897 32.500 -0.069 0.000 1.247 408 K HN 0.114 nan 8.250 nan 0.000 0.482 409 V N 1.496 121.369 119.914 -0.070 0.000 2.637 409 V HA 0.024 4.135 4.120 -0.015 0.000 0.296 409 V C 1.375 177.468 176.094 -0.001 0.000 1.046 409 V CA -0.374 61.902 62.300 -0.039 0.000 1.066 409 V CB 1.227 33.022 31.823 -0.046 0.000 0.968 409 V HN 0.264 nan 8.190 nan 0.000 0.483 410 N N 3.959 122.676 118.700 0.029 0.000 3.259 410 N HA 0.085 4.817 4.740 -0.015 0.000 0.308 410 N C -0.562 175.019 175.510 0.119 0.000 1.334 410 N CA -0.332 52.759 53.050 0.069 0.000 1.202 410 N CB -0.389 38.141 38.487 0.073 0.000 1.485 410 N HN 0.578 nan 8.380 nan 0.000 0.549 411 L N 1.168 122.475 121.223 0.141 0.000 2.369 411 L HA 0.184 4.515 4.340 -0.015 0.000 0.279 411 L C 1.015 178.024 176.870 0.231 0.000 1.108 411 L CA 0.637 55.604 54.840 0.212 0.000 0.852 411 L CB 0.828 43.050 42.059 0.272 0.000 1.169 411 L HN 0.352 nan 8.230 nan 0.000 0.452 412 Q N 3.179 123.007 119.800 0.046 0.000 2.402 412 Q HA 0.294 4.626 4.340 -0.015 0.000 0.231 412 Q C -0.680 174.783 176.000 -0.895 0.000 0.888 412 Q CA 0.189 55.855 55.803 -0.228 0.000 0.938 412 Q CB 1.146 29.844 28.738 -0.066 0.000 1.086 412 Q HN 0.522 nan 8.270 nan 0.000 0.543 413 V N 0.543 119.925 119.914 -0.886 0.000 2.760 413 V HA 0.295 4.406 4.120 -0.015 0.000 0.309 413 V C -1.684 174.088 176.094 -0.537 0.000 1.077 413 V CA -1.011 60.619 62.300 -1.117 0.000 0.910 413 V CB 1.802 32.723 31.823 -1.503 0.000 1.008 413 V HN 0.130 nan 8.190 nan 0.000 0.424 414 Y N 4.145 124.125 120.300 -0.534 0.000 2.341 414 Y HA 0.684 5.225 4.550 -0.015 0.000 0.338 414 Y C -0.418 175.563 175.900 0.135 0.000 0.965 414 Y CA -0.596 57.498 58.100 -0.010 0.000 1.108 414 Y CB 1.604 40.214 38.460 0.250 0.000 1.180 414 Y HN 0.747 nan 8.280 nan 0.000 0.458 415 C N 7.048 126.047 119.300 -0.502 0.000 2.301 415 C HA 0.844 5.296 4.460 -0.015 0.000 0.323 415 C C 0.034 174.812 174.990 -0.355 0.000 1.265 415 C CA -0.527 58.352 59.018 -0.233 0.000 1.503 415 C CB -1.236 26.482 27.740 -0.038 0.000 2.195 415 C HN 1.018 nan 8.230 nan 0.000 0.477 416 A N 6.418 129.210 122.820 -0.047 0.000 2.454 416 A HA 0.357 4.668 4.320 -0.015 0.000 0.260 416 A C -0.267 177.479 177.584 0.269 0.000 1.106 416 A CA -0.222 51.912 52.037 0.162 0.000 0.780 416 A CB 0.236 19.363 19.000 0.210 0.000 1.044 416 A HN 0.984 nan 8.150 nan 0.000 0.498 417 W N 4.110 125.515 121.300 0.175 0.000 2.342 417 W HA 0.485 5.136 4.660 -0.014 0.000 0.310 417 W C -0.451 176.298 176.519 0.384 0.000 1.128 417 W CA -0.109 57.372 57.345 0.227 0.000 1.322 417 W CB 1.333 30.901 29.460 0.180 0.000 1.251 417 W HN 0.650 nan 8.180 nan 0.000 0.439 418 S N 4.292 119.960 115.700 -0.053 0.000 2.599 418 S HA 0.276 4.737 4.470 -0.015 0.000 0.294 418 S C 0.710 175.308 174.600 -0.003 0.000 1.094 418 S CA -0.741 57.166 58.200 -0.489 0.000 0.931 418 S CB 1.588 64.171 63.200 -1.028 0.000 1.093 418 S HN 0.542 nan 8.310 nan 0.000 0.488 419 L N 2.934 124.203 121.223 0.076 0.000 2.040 419 L HA -0.060 4.271 4.340 -0.015 0.000 0.228 419 L C 0.023 177.045 176.870 0.253 0.000 1.092 419 L CA 2.146 57.118 54.840 0.220 0.000 0.805 419 L CB -0.443 41.762 42.059 0.244 0.000 0.905 419 L HN 0.656 nan 8.230 nan 0.000 0.443 420 L N -1.210 120.090 121.223 0.129 0.000 2.354 420 L HA 0.375 4.706 4.340 -0.015 0.000 0.264 420 L C -0.577 176.410 176.870 0.195 0.000 1.008 420 L CA -1.304 53.646 54.840 0.182 0.000 0.819 420 L CB 1.279 43.412 42.059 0.123 0.000 1.339 420 L HN -0.191 nan 8.230 nan 0.000 0.420 421 D N 1.833 122.401 120.400 0.281 0.000 2.488 421 D HA 0.206 4.837 4.640 -0.015 0.000 0.238 421 D C -0.459 176.151 176.300 0.517 0.000 1.138 421 D CA 0.612 54.838 54.000 0.376 0.000 0.873 421 D CB 0.606 41.623 40.800 0.360 0.000 1.183 421 D HN 0.674 nan 8.370 nan 0.000 0.458 422 N N -0.482 118.507 118.700 0.481 0.000 3.344 422 N HA 0.258 4.990 4.740 -0.015 0.000 0.296 422 N C -1.415 174.207 175.510 0.187 0.000 1.571 422 N CA -0.912 52.391 53.050 0.421 0.000 0.844 422 N CB 0.215 38.832 38.487 0.218 0.000 1.718 422 N HN 0.194 nan 8.380 nan 0.000 0.589 423 F N 0.943 120.808 119.950 -0.143 0.000 2.494 423 F HA 0.268 4.786 4.527 -0.014 0.000 0.351 423 F C 0.643 176.100 175.800 -0.572 0.000 1.205 423 F CA -0.359 57.285 58.000 -0.593 0.000 1.125 423 F CB 0.302 38.966 39.000 -0.559 0.000 1.268 423 F HN 0.622 nan 8.300 nan 0.000 0.593 424 E N 7.200 126.946 120.200 -0.755 0.000 2.346 424 E HA 0.133 4.474 4.350 -0.015 0.000 0.317 424 E C -0.080 176.170 176.600 -0.584 0.000 1.404 424 E CA -0.038 56.061 56.400 -0.502 0.000 1.534 424 E CB -0.596 29.072 29.700 -0.053 0.000 1.309 424 E HN 0.712 nan 8.360 nan 0.000 0.499 425 W N 0.875 121.751 121.300 -0.708 0.000 2.047 425 W HA -0.513 4.138 4.660 -0.015 0.000 0.283 425 W C 1.593 177.836 176.519 -0.458 0.000 1.201 425 W CA 0.997 57.929 57.345 -0.688 0.000 1.140 425 W CB -1.259 27.908 29.460 -0.488 0.000 0.885 425 W HN 0.324 nan 8.180 nan 0.000 0.538 426 N N 0.243 119.121 118.700 0.297 0.000 2.443 426 N HA -0.123 4.608 4.740 -0.015 0.000 0.184 426 N C 1.296 176.897 175.510 0.151 0.000 1.037 426 N CA 1.791 55.032 53.050 0.320 0.000 0.896 426 N CB -0.395 38.348 38.487 0.426 0.000 0.959 426 N HN 0.365 nan 8.380 nan 0.000 0.442 427 Q N 0.050 119.858 119.800 0.013 0.000 2.451 427 Q HA 0.202 4.533 4.340 -0.015 0.000 0.206 427 Q C 1.320 177.174 176.000 -0.243 0.000 0.947 427 Q CA 0.320 56.087 55.803 -0.060 0.000 0.937 427 Q CB -0.042 28.675 28.738 -0.034 0.000 1.025 427 Q HN 0.337 nan 8.270 nan 0.000 0.511 428 G N 0.615 109.096 108.800 -0.532 0.000 2.614 428 G HA2 -0.381 3.570 3.960 -0.015 0.000 0.303 428 G HA3 -0.381 3.570 3.960 -0.015 0.000 0.303 428 G C 0.203 174.618 174.900 -0.809 0.000 1.270 428 G CA 0.635 45.221 45.100 -0.857 0.000 0.988 428 G HN 0.403 nan 8.290 nan 0.000 0.551 429 Y N 1.779 121.972 120.300 -0.178 0.000 2.471 429 Y HA 0.312 4.853 4.550 -0.014 0.000 0.286 429 Y C 2.863 178.672 175.900 -0.152 0.000 1.188 429 Y CA 1.047 58.997 58.100 -0.250 0.000 1.286 429 Y CB 0.049 38.248 38.460 -0.435 0.000 1.072 429 Y HN 0.557 nan 8.280 nan 0.000 0.517 430 S N -1.856 113.699 115.700 -0.241 0.000 2.522 430 S HA 0.013 4.474 4.470 -0.015 0.000 0.227 430 S C 0.902 175.368 174.600 -0.224 0.000 0.986 430 S CA 0.227 58.180 58.200 -0.412 0.000 0.929 430 S CB -0.048 62.417 63.200 -1.225 0.000 0.769 430 S HN 0.153 nan 8.310 nan 0.000 0.529 431 S N 1.094 116.717 115.700 -0.129 0.000 2.596 431 S HA 0.536 4.997 4.470 -0.015 0.000 0.318 431 S C -0.856 173.777 174.600 0.056 0.000 1.097 431 S CA -0.860 57.302 58.200 -0.063 0.000 1.080 431 S CB 0.611 63.808 63.200 -0.005 0.000 0.991 431 S HN 0.457 nan 8.310 nan 0.000 0.471 432 R N 3.996 124.501 120.500 0.009 0.000 2.272 432 R HA 0.339 4.670 4.340 -0.015 0.000 0.323 432 R C -0.600 175.737 176.300 0.061 0.000 1.002 432 R CA -0.233 55.948 56.100 0.135 0.000 0.900 432 R CB 0.520 30.929 30.300 0.181 0.000 1.151 432 R HN 0.633 nan 8.270 nan 0.000 0.507 433 F N 0.400 120.458 119.950 0.180 0.000 2.727 433 F HA 0.196 4.714 4.527 -0.015 0.000 0.302 433 F C 1.732 177.638 175.800 0.177 0.000 1.097 433 F CA -0.172 57.957 58.000 0.215 0.000 1.330 433 F CB 0.670 39.890 39.000 0.366 0.000 1.084 433 F HN 0.547 nan 8.300 nan 0.000 0.578 434 G N 0.199 109.203 108.800 0.340 0.000 2.544 434 G HA2 0.234 4.185 3.960 -0.015 0.000 0.242 434 G HA3 0.234 4.185 3.960 -0.015 0.000 0.242 434 G C 0.878 175.989 174.900 0.351 0.000 1.247 434 G CA -0.433 44.865 45.100 0.331 0.000 0.840 434 G HN 0.244 nan 8.290 nan 0.000 0.578 435 L N 0.163 121.584 121.223 0.330 0.000 2.240 435 L HA 0.196 4.527 4.340 -0.015 0.000 0.211 435 L C 0.263 177.216 176.870 0.138 0.000 1.106 435 L CA 0.483 55.459 54.840 0.225 0.000 0.793 435 L CB -0.155 42.002 42.059 0.164 0.000 0.927 435 L HN 0.307 nan 8.230 nan 0.000 0.446 436 F N -1.288 118.833 119.950 0.285 0.000 2.458 436 F HA 0.305 4.823 4.527 -0.015 0.000 0.336 436 F C 0.692 176.572 175.800 0.133 0.000 1.114 436 F CA -0.836 57.248 58.000 0.141 0.000 0.987 436 F CB 0.757 39.778 39.000 0.034 0.000 1.130 436 F HN -0.111 nan 8.300 nan 0.000 0.458 437 H N 3.306 122.274 119.070 -0.170 0.000 2.764 437 H HA 0.408 4.955 4.556 -0.015 0.000 0.341 437 H C -1.192 174.063 175.328 -0.122 0.000 1.072 437 H CA 0.173 56.073 56.048 -0.246 0.000 1.444 437 H CB 1.186 30.541 29.762 -0.678 0.000 1.458 437 H HN 0.392 nan 8.280 nan 0.000 0.572 438 V N 5.391 124.993 119.914 -0.521 0.000 2.540 438 V HA 0.033 4.144 4.120 -0.015 0.000 0.302 438 V C -0.055 175.525 176.094 -0.856 0.000 1.035 438 V CA -0.928 61.004 62.300 -0.614 0.000 0.873 438 V CB 1.787 33.132 31.823 -0.796 0.000 0.992 438 V HN 0.752 nan 8.190 nan 0.000 0.428 439 D N 3.260 123.383 120.400 -0.461 0.000 2.411 439 D HA 0.290 4.922 4.640 -0.015 0.000 0.225 439 D C 0.392 176.483 176.300 -0.348 0.000 1.156 439 D CA -0.261 53.583 54.000 -0.261 0.000 0.874 439 D CB 0.770 41.549 40.800 -0.036 0.000 1.034 439 D HN 0.358 nan 8.370 nan 0.000 0.502 440 F N 1.391 121.278 119.950 -0.105 0.000 2.748 440 F HA 0.067 4.586 4.527 -0.015 0.000 0.299 440 F C 2.067 177.801 175.800 -0.109 0.000 1.154 440 F CA 0.217 58.103 58.000 -0.189 0.000 1.446 440 F CB 0.244 38.991 39.000 -0.422 0.000 1.112 440 F HN 0.346 nan 8.300 nan 0.000 0.584 441 E N -0.369 119.881 120.200 0.084 0.000 2.474 441 E HA -0.033 4.309 4.350 -0.015 0.000 0.194 441 E C 0.053 176.674 176.600 0.036 0.000 1.041 441 E CA 0.312 56.753 56.400 0.069 0.000 0.874 441 E CB -0.076 29.671 29.700 0.079 0.000 0.914 441 E HN 0.220 nan 8.360 nan 0.000 0.498 442 D N 1.068 121.472 120.400 0.006 0.000 2.280 442 D HA 0.096 4.728 4.640 -0.015 0.000 0.236 442 D C -1.714 174.580 176.300 -0.009 0.000 1.082 442 D CA -2.350 51.646 54.000 -0.007 0.000 0.834 442 D CB 1.943 42.727 40.800 -0.026 0.000 1.100 442 D HN -0.196 nan 8.370 nan 0.000 0.486 443 P HA -0.059 nan 4.420 nan 0.000 0.225 443 P C 0.722 178.022 177.300 -0.000 0.000 1.148 443 P CA 0.494 63.601 63.100 0.011 0.000 0.779 443 P CB 0.288 31.998 31.700 0.017 0.000 0.780 444 A N -0.375 122.435 122.820 -0.016 0.000 2.218 444 A HA 0.069 4.380 4.320 -0.015 0.000 0.209 444 A C 0.770 178.324 177.584 -0.049 0.000 1.168 444 A CA -0.078 51.942 52.037 -0.028 0.000 0.804 444 A CB -0.544 18.437 19.000 -0.032 0.000 0.834 444 A HN -0.097 nan 8.150 nan 0.000 0.482 445 R N -1.299 119.160 120.500 -0.067 0.000 3.251 445 R HA -0.122 4.209 4.340 -0.015 0.000 0.249 445 R C -2.619 173.598 176.300 -0.139 0.000 0.949 445 R CA 0.799 56.821 56.100 -0.130 0.000 0.645 445 R CB -2.632 27.608 30.300 -0.100 0.000 1.065 445 R HN 0.474 nan 8.270 nan 0.000 0.452 446 P HA 0.080 nan 4.420 nan 0.000 0.268 446 P C -0.192 177.053 177.300 -0.092 0.000 1.204 446 P CA 0.116 63.161 63.100 -0.090 0.000 0.768 446 P CB 0.582 32.245 31.700 -0.063 0.000 0.842 447 R N 1.654 122.107 120.500 -0.079 0.000 2.312 447 R HA 0.593 4.924 4.340 -0.015 0.000 0.311 447 R C -0.516 175.821 176.300 0.062 0.000 1.004 447 R CA -0.682 55.404 56.100 -0.024 0.000 0.902 447 R CB 1.181 31.408 30.300 -0.121 0.000 1.073 447 R HN 0.241 nan 8.270 nan 0.000 0.457 448 V N 4.944 124.937 119.914 0.133 0.000 2.686 448 V HA 0.433 4.544 4.120 -0.015 0.000 0.306 448 V C -2.268 173.831 176.094 0.008 0.000 1.065 448 V CA -2.137 60.205 62.300 0.069 0.000 0.894 448 V CB 2.354 34.129 31.823 -0.080 0.000 1.004 448 V HN 0.729 nan 8.190 nan 0.000 0.424 449 P HA 0.159 nan 4.420 nan 0.000 0.271 449 P C -0.992 176.085 177.300 -0.371 0.000 1.216 449 P CA 0.049 62.850 63.100 -0.500 0.000 0.771 449 P CB 0.419 31.866 31.700 -0.421 0.000 0.864 450 Y N 0.736 120.871 120.300 -0.274 0.000 2.296 450 Y HA 0.017 4.559 4.550 -0.014 0.000 0.343 450 Y C 2.546 178.318 175.900 -0.212 0.000 1.292 450 Y CA 0.482 58.489 58.100 -0.155 0.000 1.490 450 Y CB -0.351 38.073 38.460 -0.060 0.000 1.359 450 Y HN 0.323 nan 8.280 nan 0.000 0.599 451 T N -0.570 114.004 114.554 0.034 0.000 2.759 451 T HA -0.211 4.130 4.350 -0.015 0.000 0.269 451 T C 2.087 176.644 174.700 -0.239 0.000 1.042 451 T CA 1.946 63.980 62.100 -0.109 0.000 1.140 451 T CB -0.303 68.521 68.868 -0.074 0.000 0.864 451 T HN 0.639 nan 8.240 nan 0.000 0.455 452 S N 1.052 116.683 115.700 -0.115 0.000 2.387 452 S HA -0.133 4.328 4.470 -0.015 0.000 0.230 452 S C 2.484 176.892 174.600 -0.321 0.000 1.035 452 S CA 1.032 59.119 58.200 -0.188 0.000 1.014 452 S CB -0.492 62.808 63.200 0.167 0.000 0.836 452 S HN 0.627 nan 8.310 nan 0.000 0.466 453 A N 1.598 124.273 122.820 -0.243 0.000 1.902 453 A HA -0.129 4.182 4.320 -0.015 0.000 0.217 453 A C 2.056 179.479 177.584 -0.269 0.000 1.181 453 A CA 1.423 53.288 52.037 -0.286 0.000 0.623 453 A CB -0.374 18.218 19.000 -0.680 0.000 0.818 453 A HN 0.476 nan 8.150 nan 0.000 0.443 454 K N -0.501 119.710 120.400 -0.315 0.000 2.057 454 K HA -0.099 4.212 4.320 -0.015 0.000 0.206 454 K C 1.880 178.256 176.600 -0.374 0.000 1.050 454 K CA 1.254 57.369 56.287 -0.286 0.000 0.935 454 K CB -0.119 32.232 32.500 -0.248 0.000 0.715 454 K HN 0.380 nan 8.250 nan 0.000 0.439 455 E N 0.280 120.107 120.200 -0.621 0.000 2.106 455 E HA -0.174 4.167 4.350 -0.015 0.000 0.192 455 E C 1.899 178.101 176.600 -0.662 0.000 0.984 455 E CA 0.989 56.851 56.400 -0.898 0.000 0.806 455 E CB -0.273 28.242 29.700 -1.975 0.000 0.750 455 E HN 0.308 nan 8.360 nan 0.000 0.458 456 Y N 1.579 121.452 120.300 -0.712 0.000 2.200 456 Y HA -0.120 4.421 4.550 -0.014 0.000 0.290 456 Y C 2.263 177.993 175.900 -0.284 0.000 1.137 456 Y CA 1.035 58.976 58.100 -0.264 0.000 1.163 456 Y CB -0.625 37.780 38.460 -0.090 0.000 0.988 456 Y HN -0.006 nan 8.280 nan 0.000 0.518 457 A N 0.173 122.828 122.820 -0.275 0.000 1.940 457 A HA -0.243 4.069 4.320 -0.015 0.000 0.219 457 A C 2.367 179.762 177.584 -0.315 0.000 1.176 457 A CA 1.967 53.819 52.037 -0.307 0.000 0.631 457 A CB -0.746 18.142 19.000 -0.187 0.000 0.814 457 A HN 0.501 nan 8.150 nan 0.000 0.446 458 K N -0.420 119.814 120.400 -0.278 0.000 2.026 458 K HA -0.122 4.190 4.320 -0.015 0.000 0.208 458 K C 1.818 178.252 176.600 -0.277 0.000 1.048 458 K CA 1.504 57.652 56.287 -0.231 0.000 0.929 458 K CB -0.252 32.135 32.500 -0.189 0.000 0.713 458 K HN 0.355 nan 8.250 nan 0.000 0.439 459 I N 1.812 122.179 120.570 -0.337 0.000 2.163 459 I HA -0.304 3.857 4.170 -0.015 0.000 0.243 459 I C 2.364 178.001 176.117 -0.800 0.000 1.085 459 I CA 1.498 62.486 61.300 -0.519 0.000 1.347 459 I CB -0.982 36.645 38.000 -0.622 0.000 1.044 459 I HN 0.270 nan 8.210 nan 0.000 0.408 460 I N 0.175 120.173 120.570 -0.953 0.000 2.163 460 I HA -0.321 3.841 4.170 -0.015 0.000 0.243 460 I C 2.838 178.721 176.117 -0.391 0.000 1.085 460 I CA 1.352 62.117 61.300 -0.892 0.000 1.347 460 I CB -0.481 37.089 38.000 -0.717 0.000 1.044 460 I HN 0.200 nan 8.210 nan 0.000 0.408 461 R N 1.048 121.371 120.500 -0.295 0.000 2.081 461 R HA -0.146 4.185 4.340 -0.015 0.000 0.235 461 R C 1.768 178.001 176.300 -0.111 0.000 1.131 461 R CA 1.597 57.601 56.100 -0.159 0.000 0.960 461 R CB -0.059 30.155 30.300 -0.144 0.000 0.856 461 R HN 0.374 nan 8.270 nan 0.000 0.436 462 N N 0.735 119.351 118.700 -0.141 0.000 2.412 462 N HA -0.100 4.632 4.740 -0.015 0.000 0.184 462 N C -0.071 175.424 175.510 -0.025 0.000 1.101 462 N CA 0.394 53.399 53.050 -0.076 0.000 0.881 462 N CB -0.120 38.319 38.487 -0.080 0.000 0.969 462 N HN 0.187 nan 8.380 nan 0.000 0.459 463 N N 0.404 119.075 118.700 -0.048 0.000 2.714 463 N HA -0.184 4.547 4.740 -0.015 0.000 0.252 463 N C 0.003 175.620 175.510 0.178 0.000 1.014 463 N CA 1.120 54.252 53.050 0.137 0.000 0.735 463 N CB -1.083 37.563 38.487 0.266 0.000 0.924 463 N HN 0.542 nan 8.380 nan 0.000 0.540 464 G N -2.074 106.704 108.800 -0.037 0.000 2.352 464 G HA2 0.381 4.332 3.960 -0.015 0.000 0.283 464 G HA3 0.381 4.332 3.960 -0.015 0.000 0.283 464 G C -1.545 173.338 174.900 -0.029 0.000 1.308 464 G CA -0.406 44.751 45.100 0.096 0.000 0.892 464 G HN 0.393 nan 8.290 nan 0.000 0.504 465 L N -0.621 120.619 121.223 0.029 0.000 2.301 465 L HA 0.956 5.288 4.340 -0.015 0.000 0.264 465 L C 0.627 177.482 176.870 -0.026 0.000 1.016 465 L CA -0.727 54.121 54.840 0.014 0.000 0.821 465 L CB 1.333 43.434 42.059 0.069 0.000 1.346 465 L HN 1.049 nan 8.230 nan 0.000 0.429 466 E N 0.000 120.199 120.200 -0.001 0.000 2.725 466 E HA 0.000 4.341 4.350 -0.015 0.000 0.291 466 E CA 0.000 56.391 56.400 -0.014 0.000 0.976 466 E CB 0.000 29.701 29.700 0.001 0.000 0.812 466 E HN 0.000 nan 8.360 nan 0.000 0.440