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 2e9m_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 0.000 176.126 176.300 -0.291 0.000 1.140 1 M CA 0.000 54.818 55.300 -0.804 0.000 0.988 1 M CB 0.000 31.915 32.600 -1.141 0.000 1.302 2 A N 1.522 124.351 122.820 0.015 0.000 2.362 2 A HA 0.765 5.077 4.320 -0.014 0.000 0.276 2 A C -0.593 177.208 177.584 0.361 0.000 1.153 2 A CA 0.036 52.200 52.037 0.212 0.000 0.813 2 A CB 0.197 19.291 19.000 0.157 0.000 1.081 2 A HN 0.544 nan 8.150 nan 0.000 0.507 3 F N 2.427 122.474 119.950 0.163 0.000 2.399 3 F HA 0.402 4.921 4.527 -0.014 0.000 0.313 3 F C -1.593 174.255 175.800 0.080 0.000 1.202 3 F CA -1.627 56.418 58.000 0.074 0.000 1.192 3 F CB 0.124 39.053 39.000 -0.119 0.000 1.256 3 F HN 0.374 nan 8.300 nan 0.000 0.558 4 P HA 0.118 nan 4.420 nan 0.000 0.266 4 P C -1.200 176.241 177.300 0.236 0.000 1.195 4 P CA -0.212 62.993 63.100 0.174 0.000 0.768 4 P CB 0.292 32.095 31.700 0.172 0.000 0.838 5 A N 3.058 125.982 122.820 0.173 0.000 2.524 5 A HA 0.431 4.743 4.320 -0.014 0.000 0.250 5 A C 1.474 179.156 177.584 0.163 0.000 1.078 5 A CA 0.735 52.870 52.037 0.164 0.000 0.761 5 A CB -1.308 17.762 19.000 0.116 0.000 1.012 5 A HN 0.884 nan 8.150 nan 0.000 0.500 6 G N 1.381 110.288 108.800 0.179 0.000 2.176 6 G HA2 -0.206 3.746 3.960 -0.014 0.000 0.232 6 G HA3 -0.206 3.746 3.960 -0.014 0.000 0.232 6 G C 0.112 175.087 174.900 0.125 0.000 0.986 6 G CA 0.074 45.257 45.100 0.139 0.000 0.643 6 G HN 1.210 nan 8.290 nan 0.000 0.522 7 F N 2.152 122.110 119.950 0.013 0.000 2.602 7 F HA 0.455 4.973 4.527 -0.014 0.000 0.367 7 F C 1.110 176.744 175.800 -0.277 0.000 1.126 7 F CA 0.858 58.770 58.000 -0.146 0.000 1.321 7 F CB 0.738 39.649 39.000 -0.147 0.000 1.094 7 F HN 0.257 nan 8.300 nan 0.000 0.594 8 G N 5.381 113.519 108.800 -1.102 0.000 2.320 8 G HA2 0.327 4.279 3.960 -0.014 0.000 0.300 8 G HA3 0.327 4.279 3.960 -0.014 0.000 0.300 8 G C -1.923 172.513 174.900 -0.774 0.000 1.126 8 G CA -0.529 44.110 45.100 -0.768 0.000 0.896 8 G HN 0.727 nan 8.290 nan 0.000 0.436 9 W N 1.938 123.232 121.300 -0.010 0.000 2.417 9 W HA 0.641 5.292 4.660 -0.014 0.000 0.315 9 W C 0.196 176.822 176.519 0.178 0.000 1.045 9 W CA -0.528 56.891 57.345 0.124 0.000 1.221 9 W CB 2.177 31.640 29.460 0.004 0.000 1.309 9 W HN 0.770 nan 8.180 nan 0.000 0.453 10 A N 1.893 125.013 122.820 0.500 0.000 2.530 10 A HA 1.018 5.329 4.320 -0.014 0.000 0.288 10 A C -1.376 176.514 177.584 0.509 0.000 1.172 10 A CA -0.812 51.474 52.037 0.414 0.000 0.733 10 A CB 1.407 20.547 19.000 0.233 0.000 1.320 10 A HN 0.784 nan 8.150 nan 0.000 0.419 11 A N -0.734 122.367 122.820 0.468 0.000 2.469 11 A HA 0.926 5.238 4.320 -0.014 0.000 0.299 11 A C -0.324 177.468 177.584 0.348 0.000 1.098 11 A CA -0.035 52.258 52.037 0.425 0.000 0.737 11 A CB 1.432 20.713 19.000 0.468 0.000 1.312 11 A HN 2.445 nan 8.150 nan 0.000 0.414 12 A N 0.401 123.362 122.820 0.234 0.000 2.374 12 A HA 0.922 5.233 4.320 -0.014 0.000 0.317 12 A C 0.088 177.625 177.584 -0.078 0.000 1.094 12 A CA 0.119 52.254 52.037 0.163 0.000 0.765 12 A CB 1.132 20.398 19.000 0.442 0.000 1.268 12 A HN 1.920 nan 8.150 nan 0.000 0.438 13 T N -1.680 112.871 114.554 -0.006 0.000 2.888 13 T HA 0.888 5.230 4.350 -0.014 0.000 0.288 13 T C -0.363 174.455 174.700 0.198 0.000 1.063 13 T CA -0.215 61.847 62.100 -0.062 0.000 1.010 13 T CB 1.756 70.701 68.868 0.130 0.000 1.214 13 T HN 2.041 nan 8.240 nan 0.000 0.533 14 A N -0.242 122.683 122.820 0.175 0.000 2.449 14 A HA 0.861 5.172 4.320 -0.014 0.000 0.302 14 A C 1.182 178.843 177.584 0.128 0.000 1.048 14 A CA -0.416 51.614 52.037 -0.011 0.000 0.708 14 A CB 1.109 19.791 19.000 -0.529 0.000 1.274 14 A HN 1.470 nan 8.150 nan 0.000 0.410 15 A N 0.987 123.944 122.820 0.229 0.000 1.873 15 A HA -0.172 4.140 4.320 -0.014 0.000 0.218 15 A C 1.841 179.584 177.584 0.264 0.000 1.193 15 A CA 2.412 54.650 52.037 0.335 0.000 0.629 15 A CB -1.078 18.183 19.000 0.435 0.000 0.826 15 A HN 1.427 nan 8.150 nan 0.000 0.447 16 Y N 0.683 121.086 120.300 0.171 0.000 2.293 16 Y HA -0.172 4.369 4.550 -0.014 0.000 0.291 16 Y C 2.516 178.376 175.900 -0.066 0.000 1.137 16 Y CA 2.057 60.209 58.100 0.085 0.000 1.202 16 Y CB -0.220 38.323 38.460 0.138 0.000 0.990 16 Y HN 0.481 nan 8.280 nan 0.000 0.537 17 Q N -1.072 118.648 119.800 -0.134 0.000 2.230 17 Q HA -0.068 4.264 4.340 -0.014 0.000 0.202 17 Q C 1.983 177.969 176.000 -0.023 0.000 0.963 17 Q CA 1.789 57.477 55.803 -0.192 0.000 0.866 17 Q CB 0.081 28.702 28.738 -0.195 0.000 0.931 17 Q HN 0.551 nan 8.270 nan 0.000 0.452 18 V N -4.129 115.810 119.914 0.042 0.000 3.539 18 V HA 0.130 4.242 4.120 -0.014 0.000 0.262 18 V C 1.465 177.641 176.094 0.138 0.000 1.381 18 V CA 0.156 62.533 62.300 0.128 0.000 1.060 18 V CB 0.224 32.148 31.823 0.169 0.000 0.842 18 V HN 0.031 nan 8.190 nan 0.000 0.445 19 E N 1.693 121.966 120.200 0.122 0.000 2.107 19 E HA 0.260 4.602 4.350 -0.014 0.000 0.191 19 E C 1.665 178.337 176.600 0.120 0.000 0.982 19 E CA 0.971 57.468 56.400 0.163 0.000 0.809 19 E CB -0.290 29.515 29.700 0.175 0.000 0.756 19 E HN 0.846 nan 8.360 nan 0.000 0.459 20 G N 0.227 109.056 108.800 0.049 0.000 2.574 20 G HA2 -0.348 3.604 3.960 -0.014 0.000 0.282 20 G HA3 -0.348 3.604 3.960 -0.014 0.000 0.282 20 G C 0.736 175.687 174.900 0.085 0.000 1.257 20 G CA 0.023 45.172 45.100 0.081 0.000 0.956 20 G HN 0.848 nan 8.290 nan 0.000 0.560 21 G N -0.743 108.122 108.800 0.109 0.000 2.356 21 G HA2 -0.193 3.759 3.960 -0.014 0.000 0.296 21 G HA3 -0.193 3.759 3.960 -0.014 0.000 0.296 21 G C 1.132 175.957 174.900 -0.125 0.000 1.022 21 G CA 1.315 46.391 45.100 -0.040 0.000 0.961 21 G HN 2.161 nan 8.290 nan 0.000 0.510 22 W N 0.664 121.947 121.300 -0.028 0.000 2.387 22 W HA 0.009 4.661 4.660 -0.013 0.000 0.272 22 W C 0.653 177.192 176.519 0.033 0.000 1.224 22 W CA 1.442 58.808 57.345 0.036 0.000 1.210 22 W CB -0.268 29.267 29.460 0.126 0.000 1.125 22 W HN 0.564 nan 8.180 nan 0.000 0.572 23 D N -0.373 119.454 120.400 -0.954 0.000 2.582 23 D HA 0.281 4.912 4.640 -0.014 0.000 0.246 23 D C 0.308 176.315 176.300 -0.490 0.000 1.334 23 D CA -0.301 53.154 54.000 -0.909 0.000 0.805 23 D CB -0.613 39.235 40.800 -1.587 0.000 1.087 23 D HN -0.001 nan 8.370 nan 0.000 0.499 24 A N 0.748 123.348 122.820 -0.368 0.000 2.425 24 A HA 0.361 4.672 4.320 -0.014 0.000 0.249 24 A C 0.517 178.021 177.584 -0.133 0.000 1.084 24 A CA 0.109 52.030 52.037 -0.194 0.000 0.781 24 A CB 0.035 18.973 19.000 -0.104 0.000 1.019 24 A HN 0.196 nan 8.150 nan 0.000 0.490 25 D N 0.687 121.075 120.400 -0.020 0.000 2.751 25 D HA -0.213 4.419 4.640 -0.014 0.000 0.233 25 D C 1.029 177.354 176.300 0.041 0.000 1.149 25 D CA 2.403 56.432 54.000 0.047 0.000 0.682 25 D CB -1.504 39.382 40.800 0.143 0.000 1.068 25 D HN 1.916 nan 8.370 nan 0.000 0.429 26 G N 0.058 108.848 108.800 -0.017 0.000 2.159 26 G HA2 -0.402 3.550 3.960 -0.014 0.000 0.256 26 G HA3 -0.402 3.550 3.960 -0.014 0.000 0.256 26 G C 0.366 175.247 174.900 -0.032 0.000 0.977 26 G CA 0.694 45.787 45.100 -0.012 0.000 0.652 26 G HN 0.667 nan 8.290 nan 0.000 0.531 27 K N 1.067 121.433 120.400 -0.058 0.000 2.511 27 K HA 0.383 4.694 4.320 -0.014 0.000 0.280 27 K C 1.216 177.782 176.600 -0.057 0.000 1.008 27 K CA 0.382 56.644 56.287 -0.041 0.000 1.050 27 K CB -0.078 32.367 32.500 -0.092 0.000 0.889 27 K HN 0.435 nan 8.250 nan 0.000 0.484 28 G N 4.580 113.376 108.800 -0.007 0.000 2.569 28 G HA2 0.227 4.178 3.960 -0.014 0.000 0.249 28 G HA3 0.227 4.178 3.960 -0.014 0.000 0.249 28 G C -2.411 172.532 174.900 0.072 0.000 1.216 28 G CA -1.251 43.845 45.100 -0.006 0.000 0.845 28 G HN 0.583 nan 8.290 nan 0.000 0.568 29 P HA 0.220 nan 4.420 nan 0.000 0.275 29 P C 0.395 177.773 177.300 0.130 0.000 1.227 29 P CA -0.364 62.865 63.100 0.216 0.000 0.781 29 P CB 0.860 32.701 31.700 0.235 0.000 0.906 30 C N 1.630 121.030 119.300 0.166 0.000 2.354 30 C HA 0.440 4.892 4.460 -0.014 0.000 0.381 30 C C 2.256 177.268 174.990 0.037 0.000 1.240 30 C CA -0.244 58.840 59.018 0.109 0.000 2.089 30 C CB 0.420 28.282 27.740 0.203 0.000 2.234 30 C HN 0.520 nan 8.230 nan 0.000 0.544 31 V N -2.053 117.856 119.914 -0.008 0.000 2.568 31 V HA -0.111 4.000 4.120 -0.014 0.000 0.253 31 V C 1.766 177.697 176.094 -0.272 0.000 1.072 31 V CA 1.731 63.946 62.300 -0.141 0.000 1.084 31 V CB -1.285 30.417 31.823 -0.203 0.000 0.676 31 V HN 0.988 nan 8.190 nan 0.000 0.469 32 W N 0.699 121.832 121.300 -0.278 0.000 2.518 32 W HA 0.081 4.732 4.660 -0.014 0.000 0.273 32 W C 2.298 178.567 176.519 -0.418 0.000 1.247 32 W CA 1.000 58.064 57.345 -0.469 0.000 1.288 32 W CB -0.180 28.618 29.460 -1.105 0.000 1.107 32 W HN 0.235 nan 8.180 nan 0.000 0.586 33 D N -0.344 119.960 120.400 -0.160 0.000 2.092 33 D HA -0.164 4.468 4.640 -0.014 0.000 0.193 33 D C 1.972 177.951 176.300 -0.535 0.000 0.994 33 D CA 2.284 56.044 54.000 -0.401 0.000 0.828 33 D CB -0.966 39.794 40.800 -0.067 0.000 0.963 33 D HN 0.074 nan 8.370 nan 0.000 0.450 34 T N 0.857 115.302 114.554 -0.183 0.000 2.684 34 T HA -0.172 4.170 4.350 -0.014 0.000 0.267 34 T C 1.800 176.461 174.700 -0.064 0.000 1.036 34 T CA 0.871 62.925 62.100 -0.077 0.000 1.148 34 T CB -0.608 68.245 68.868 -0.026 0.000 0.863 34 T HN 0.104 nan 8.240 nan 0.000 0.436 35 F N 2.338 122.143 119.950 -0.243 0.000 2.102 35 F HA -0.188 4.331 4.527 -0.014 0.000 0.298 35 F C 2.762 178.495 175.800 -0.113 0.000 1.105 35 F CA 1.906 59.764 58.000 -0.237 0.000 1.239 35 F CB -0.695 38.023 39.000 -0.470 0.000 0.991 35 F HN 0.246 nan 8.300 nan 0.000 0.474 36 T N -3.072 111.530 114.554 0.080 0.000 2.904 36 T HA -0.195 4.147 4.350 -0.014 0.000 0.267 36 T C 1.717 176.429 174.700 0.020 0.000 1.059 36 T CA 1.820 63.970 62.100 0.084 0.000 1.137 36 T CB -1.142 67.831 68.868 0.176 0.000 0.879 36 T HN 0.557 nan 8.240 nan 0.000 0.467 37 H N 0.029 119.041 119.070 -0.098 0.000 2.491 37 H HA 0.063 4.611 4.556 -0.014 0.000 0.290 37 H C 2.464 177.724 175.328 -0.113 0.000 1.050 37 H CA 0.870 56.839 56.048 -0.133 0.000 1.309 37 H CB 0.072 29.726 29.762 -0.181 0.000 1.392 37 H HN 0.313 nan 8.280 nan 0.000 0.554 38 Q N 0.794 120.575 119.800 -0.031 0.000 2.230 38 Q HA 0.033 4.365 4.340 -0.014 0.000 0.202 38 Q C 1.328 177.262 176.000 -0.110 0.000 0.963 38 Q CA 0.834 56.581 55.803 -0.093 0.000 0.866 38 Q CB -0.100 28.537 28.738 -0.170 0.000 0.931 38 Q HN 0.561 nan 8.270 nan 0.000 0.452 39 G N -0.922 107.807 108.800 -0.118 0.000 2.566 39 G HA2 -0.164 3.787 3.960 -0.014 0.000 0.280 39 G HA3 -0.164 3.787 3.960 -0.014 0.000 0.280 39 G C 0.727 175.548 174.900 -0.131 0.000 1.225 39 G CA 0.336 45.382 45.100 -0.091 0.000 0.966 39 G HN 1.322 nan 8.290 nan 0.000 0.560 40 G N -1.417 107.332 108.800 -0.084 0.000 2.149 40 G HA2 0.181 4.133 3.960 -0.014 0.000 0.235 40 G HA3 0.181 4.133 3.960 -0.014 0.000 0.235 40 G C 0.416 175.278 174.900 -0.063 0.000 1.018 40 G CA 1.263 46.316 45.100 -0.079 0.000 0.728 40 G HN 2.248 nan 8.290 nan 0.000 0.508 41 E N -2.329 117.845 120.200 -0.042 0.000 2.586 41 E HA -0.246 4.096 4.350 -0.014 0.000 0.259 41 E C 1.539 178.154 176.600 0.024 0.000 1.107 41 E CA 1.477 57.873 56.400 -0.008 0.000 0.754 41 E CB -1.200 28.497 29.700 -0.005 0.000 1.335 41 E HN 0.815 nan 8.360 nan 0.000 0.411 42 R N -0.651 119.848 120.500 -0.002 0.000 2.173 42 R HA 0.147 4.479 4.340 -0.014 0.000 0.208 42 R C 0.431 176.865 176.300 0.224 0.000 1.035 42 R CA 0.736 56.877 56.100 0.068 0.000 1.004 42 R CB 0.693 30.925 30.300 -0.113 0.000 0.917 42 R HN -0.006 nan 8.270 nan 0.000 0.462 43 V N 1.299 121.340 119.914 0.211 0.000 2.581 43 V HA 0.154 4.266 4.120 -0.014 0.000 0.303 43 V C -0.275 175.965 176.094 0.244 0.000 1.041 43 V CA -1.166 61.320 62.300 0.309 0.000 0.907 43 V CB 1.604 33.684 31.823 0.429 0.000 0.994 43 V HN 0.032 nan 8.190 nan 0.000 0.442 44 F N 4.882 124.899 119.950 0.112 0.000 2.548 44 F HA 0.018 4.536 4.527 -0.014 0.000 0.403 44 F C 1.336 177.199 175.800 0.105 0.000 1.004 44 F CA 0.443 58.496 58.000 0.088 0.000 1.177 44 F CB -0.291 38.743 39.000 0.056 0.000 0.974 44 F HN 0.729 nan 8.300 nan 0.000 0.541 45 K N 3.873 123.941 120.400 -0.554 0.000 3.020 45 K HA -0.387 3.925 4.320 -0.014 0.000 0.266 45 K C 0.197 176.745 176.600 -0.087 0.000 1.067 45 K CA 1.178 57.227 56.287 -0.396 0.000 0.780 45 K CB -1.727 30.460 32.500 -0.522 0.000 1.220 45 K HN 0.985 nan 8.250 nan 0.000 0.483 46 N N 0.229 118.925 118.700 -0.007 0.000 2.716 46 N HA -0.242 4.489 4.740 -0.014 0.000 0.250 46 N C -0.444 175.146 175.510 0.133 0.000 1.033 46 N CA 1.013 54.099 53.050 0.060 0.000 0.727 46 N CB -0.451 38.046 38.487 0.016 0.000 0.950 46 N HN 0.466 nan 8.380 nan 0.000 0.541 47 Q N 0.091 120.027 119.800 0.226 0.000 2.368 47 Q HA 0.413 4.745 4.340 -0.014 0.000 0.237 47 Q C 0.783 176.982 176.000 0.331 0.000 0.987 47 Q CA 0.332 56.329 55.803 0.322 0.000 0.896 47 Q CB 0.980 29.977 28.738 0.431 0.000 1.241 47 Q HN 0.404 nan 8.270 nan 0.000 0.485 48 T N -3.133 111.530 114.554 0.182 0.000 2.901 48 T HA 0.563 4.905 4.350 -0.014 0.000 0.293 48 T C 0.352 174.786 174.700 -0.443 0.000 1.084 48 T CA -0.603 61.422 62.100 -0.125 0.000 1.008 48 T CB 1.576 70.433 68.868 -0.018 0.000 1.170 48 T HN 0.585 nan 8.240 nan 0.000 0.509 49 G N 0.205 108.516 108.800 -0.814 0.000 3.518 49 G HA2 0.207 4.159 3.960 -0.014 0.000 0.273 49 G HA3 0.207 4.159 3.960 -0.014 0.000 0.273 49 G C 0.481 175.144 174.900 -0.394 0.000 1.199 49 G CA -0.296 44.283 45.100 -0.868 0.000 0.899 49 G HN 0.753 nan 8.290 nan 0.000 0.533 50 D N 0.240 120.545 120.400 -0.158 0.000 2.158 50 D HA -0.125 4.507 4.640 -0.014 0.000 0.197 50 D C 2.348 178.766 176.300 0.197 0.000 0.995 50 D CA 1.118 55.152 54.000 0.056 0.000 0.846 50 D CB 0.333 41.158 40.800 0.041 0.000 0.941 50 D HN 0.306 nan 8.370 nan 0.000 0.456 51 V N -0.838 119.136 119.914 0.099 0.000 2.996 51 V HA 0.361 4.473 4.120 -0.014 0.000 0.235 51 V C 1.357 177.511 176.094 0.099 0.000 1.205 51 V CA 0.585 62.955 62.300 0.115 0.000 1.225 51 V CB -0.147 31.744 31.823 0.113 0.000 0.995 51 V HN 0.302 nan 8.190 nan 0.000 0.484 52 A N 0.453 123.335 122.820 0.105 0.000 5.318 52 A HA -0.401 3.911 4.320 -0.014 0.000 0.329 52 A C 1.593 179.381 177.584 0.340 0.000 1.789 52 A CA 2.179 54.344 52.037 0.213 0.000 0.711 52 A CB -2.084 16.987 19.000 0.119 0.000 1.398 52 A HN 0.665 nan 8.150 nan 0.000 0.392 53 C N 0.513 120.006 119.300 0.322 0.000 2.562 53 C HA 0.490 4.942 4.460 -0.014 0.000 0.266 53 C C 2.116 177.180 174.990 0.124 0.000 1.382 53 C CA 0.533 59.684 59.018 0.221 0.000 1.742 53 C CB -1.011 26.840 27.740 0.186 0.000 1.812 53 C HN 2.633 nan 8.230 nan 0.000 0.559 54 G N 1.344 110.226 108.800 0.137 0.000 2.198 54 G HA2 -0.292 3.659 3.960 -0.014 0.000 0.260 54 G HA3 -0.292 3.659 3.960 -0.014 0.000 0.260 54 G C 0.854 175.838 174.900 0.139 0.000 1.025 54 G CA 0.706 45.879 45.100 0.122 0.000 0.769 54 G HN 0.508 nan 8.290 nan 0.000 0.507 55 S N -1.195 114.613 115.700 0.180 0.000 2.442 55 S HA -0.102 4.359 4.470 -0.014 0.000 0.236 55 S C 1.753 176.548 174.600 0.325 0.000 1.007 55 S CA 1.391 59.743 58.200 0.254 0.000 0.965 55 S CB -0.222 63.163 63.200 0.308 0.000 0.773 55 S HN 0.699 nan 8.310 nan 0.000 0.504 56 Y N 2.530 122.847 120.300 0.028 0.000 2.293 56 Y HA -0.133 4.409 4.550 -0.014 0.000 0.291 56 Y C 2.283 178.132 175.900 -0.085 0.000 1.137 56 Y CA 1.445 59.364 58.100 -0.302 0.000 1.202 56 Y CB -0.483 37.753 38.460 -0.374 0.000 0.990 56 Y HN 0.190 nan 8.280 nan 0.000 0.537 57 T N -0.354 114.204 114.554 0.006 0.000 3.040 57 T HA 0.164 4.506 4.350 -0.014 0.000 0.252 57 T C 0.952 175.664 174.700 0.021 0.000 1.064 57 T CA 0.623 62.701 62.100 -0.036 0.000 1.110 57 T CB 0.059 68.945 68.868 0.029 0.000 0.921 57 T HN 0.137 nan 8.240 nan 0.000 0.480 58 L N 1.231 122.501 121.223 0.079 0.000 3.154 58 L HA 0.344 4.676 4.340 -0.014 0.000 0.266 58 L C 1.375 178.287 176.870 0.070 0.000 1.300 58 L CA -0.482 54.384 54.840 0.042 0.000 1.028 58 L CB 0.010 42.069 42.059 0.001 0.000 1.412 58 L HN 0.400 nan 8.230 nan 0.000 0.564 59 W N 1.552 122.850 121.300 -0.004 0.000 2.338 59 W HA -0.220 4.432 4.660 -0.014 0.000 0.304 59 W C 1.276 177.725 176.519 -0.117 0.000 1.212 59 W CA 1.721 59.037 57.345 -0.048 0.000 1.264 59 W CB 0.243 29.660 29.460 -0.072 0.000 1.142 59 W HN 0.382 nan 8.180 nan 0.000 0.512 60 E N 0.196 120.169 120.200 -0.378 0.000 2.171 60 E HA -0.251 4.091 4.350 -0.014 0.000 0.197 60 E C 2.044 178.339 176.600 -0.507 0.000 0.997 60 E CA 1.775 57.869 56.400 -0.510 0.000 0.810 60 E CB -0.115 29.447 29.700 -0.230 0.000 0.738 60 E HN 0.219 nan 8.360 nan 0.000 0.467 61 E N 0.615 120.591 120.200 -0.374 0.000 2.072 61 E HA -0.146 4.195 4.350 -0.014 0.000 0.190 61 E C 1.614 177.931 176.600 -0.472 0.000 0.982 61 E CA 0.828 57.019 56.400 -0.348 0.000 0.803 61 E CB -0.166 29.398 29.700 -0.227 0.000 0.755 61 E HN 0.279 nan 8.360 nan 0.000 0.453 62 D N 0.870 120.963 120.400 -0.511 0.000 2.117 62 D HA -0.147 4.485 4.640 -0.014 0.000 0.197 62 D C 2.046 177.837 176.300 -0.849 0.000 0.987 62 D CA 0.506 54.160 54.000 -0.578 0.000 0.829 62 D CB -0.332 40.270 40.800 -0.329 0.000 0.961 62 D HN 0.068 nan 8.370 nan 0.000 0.460 63 L N 1.151 121.622 121.223 -1.253 0.000 2.042 63 L HA -0.166 4.165 4.340 -0.014 0.000 0.210 63 L C 1.877 178.383 176.870 -0.606 0.000 1.076 63 L CA 1.778 55.978 54.840 -1.066 0.000 0.749 63 L CB -0.296 41.060 42.059 -1.172 0.000 0.893 63 L HN -0.119 nan 8.230 nan 0.000 0.432 64 K N -1.334 118.746 120.400 -0.533 0.000 2.032 64 K HA -0.206 4.106 4.320 -0.014 0.000 0.209 64 K C 2.122 178.491 176.600 -0.384 0.000 1.048 64 K CA 1.855 57.916 56.287 -0.378 0.000 0.927 64 K CB -0.534 31.772 32.500 -0.324 0.000 0.712 64 K HN 0.469 nan 8.250 nan 0.000 0.441 65 C N 0.701 119.660 119.300 -0.569 0.000 2.413 65 C HA -0.110 4.341 4.460 -0.014 0.000 0.276 65 C C 2.512 177.281 174.990 -0.369 0.000 1.236 65 C CA 0.516 59.059 59.018 -0.792 0.000 1.735 65 C CB -0.777 26.168 27.740 -1.326 0.000 2.031 65 C HN 0.415 nan 8.230 nan 0.000 0.474 66 I N 0.831 121.176 120.570 -0.374 0.000 2.208 66 I HA -0.247 3.915 4.170 -0.014 0.000 0.245 66 I C 2.514 178.551 176.117 -0.134 0.000 1.097 66 I CA 1.674 62.835 61.300 -0.231 0.000 1.363 66 I CB -0.407 37.373 38.000 -0.368 0.000 1.051 66 I HN 0.373 nan 8.210 nan 0.000 0.413 67 K N 0.191 120.486 120.400 -0.176 0.000 2.097 67 K HA -0.170 4.142 4.320 -0.014 0.000 0.205 67 K C 2.193 178.747 176.600 -0.076 0.000 1.050 67 K CA 1.109 57.325 56.287 -0.118 0.000 0.938 67 K CB -0.112 32.304 32.500 -0.140 0.000 0.718 67 K HN 0.337 nan 8.250 nan 0.000 0.442 68 Q N 0.504 120.267 119.800 -0.061 0.000 2.124 68 Q HA -0.100 4.232 4.340 -0.014 0.000 0.202 68 Q C 1.977 177.990 176.000 0.021 0.000 0.977 68 Q CA 1.150 56.956 55.803 0.005 0.000 0.850 68 Q CB -0.008 28.787 28.738 0.095 0.000 0.901 68 Q HN 0.293 nan 8.270 nan 0.000 0.429 69 L N -1.054 120.204 121.223 0.058 0.000 2.217 69 L HA 0.005 4.337 4.340 -0.014 0.000 0.211 69 L C 1.262 178.081 176.870 -0.084 0.000 1.107 69 L CA 0.598 55.450 54.840 0.018 0.000 0.783 69 L CB -0.315 41.821 42.059 0.128 0.000 0.919 69 L HN 0.448 nan 8.230 nan 0.000 0.442 70 G N 0.807 109.574 108.800 -0.055 0.000 2.198 70 G HA2 -0.274 3.678 3.960 -0.014 0.000 0.257 70 G HA3 -0.274 3.678 3.960 -0.014 0.000 0.257 70 G C 0.188 175.073 174.900 -0.025 0.000 1.042 70 G CA -0.206 44.859 45.100 -0.058 0.000 0.791 70 G HN 0.223 nan 8.290 nan 0.000 0.502 71 L N 0.063 121.299 121.223 0.022 0.000 2.514 71 L HA 0.266 4.597 4.340 -0.014 0.000 0.280 71 L C 2.178 179.121 176.870 0.122 0.000 1.223 71 L CA 0.631 55.540 54.840 0.115 0.000 0.864 71 L CB 0.408 42.584 42.059 0.194 0.000 1.118 71 L HN 0.449 nan 8.230 nan 0.000 0.494 72 T N -2.417 112.255 114.554 0.198 0.000 3.044 72 T HA 0.065 4.407 4.350 -0.014 0.000 0.255 72 T C 0.452 175.149 174.700 -0.005 0.000 1.073 72 T CA 0.342 62.522 62.100 0.133 0.000 1.125 72 T CB -0.026 68.990 68.868 0.246 0.000 0.908 72 T HN 0.595 nan 8.240 nan 0.000 0.480 73 H N -0.586 118.550 119.070 0.110 0.000 2.821 73 H HA 0.636 5.184 4.556 -0.014 0.000 0.373 73 H C -1.987 173.500 175.328 0.266 0.000 1.165 73 H CA -1.178 54.945 56.048 0.125 0.000 1.154 73 H CB 1.448 31.223 29.762 0.021 0.000 1.765 73 H HN 0.213 nan 8.280 nan 0.000 0.549 74 Y N 1.247 121.698 120.300 0.252 0.000 2.346 74 Y HA 0.411 4.953 4.550 -0.014 0.000 0.332 74 Y C -0.884 175.216 175.900 0.334 0.000 0.985 74 Y CA -1.043 57.228 58.100 0.285 0.000 1.112 74 Y CB 1.216 39.846 38.460 0.284 0.000 1.170 74 Y HN 0.635 nan 8.280 nan 0.000 0.447 75 R N 6.899 127.297 120.500 -0.169 0.000 2.312 75 R HA 0.643 4.975 4.340 -0.014 0.000 0.311 75 R C -1.679 174.393 176.300 -0.381 0.000 1.004 75 R CA -0.317 55.664 56.100 -0.198 0.000 0.902 75 R CB 0.557 30.865 30.300 0.014 0.000 1.073 75 R HN 0.648 nan 8.270 nan 0.000 0.457 76 F N 0.303 120.038 119.950 -0.357 0.000 2.711 76 F HA 0.555 5.074 4.527 -0.014 0.000 0.313 76 F C -1.283 174.502 175.800 -0.025 0.000 1.141 76 F CA -1.110 56.763 58.000 -0.211 0.000 0.941 76 F CB 1.301 40.163 39.000 -0.230 0.000 1.349 76 F HN 0.453 nan 8.300 nan 0.000 0.464 77 S N 1.424 117.231 115.700 0.177 0.000 2.578 77 S HA 0.791 5.253 4.470 -0.014 0.000 0.301 77 S C -1.101 173.589 174.600 0.151 0.000 1.091 77 S CA -0.862 57.403 58.200 0.108 0.000 1.032 77 S CB 1.581 64.919 63.200 0.230 0.000 1.064 77 S HN 0.826 nan 8.310 nan 0.000 0.508 78 L N 2.500 123.713 121.223 -0.018 0.000 2.276 78 L HA 0.433 4.765 4.340 -0.014 0.000 0.286 78 L C 0.631 177.640 176.870 0.232 0.000 1.061 78 L CA -0.569 54.134 54.840 -0.228 0.000 0.807 78 L CB 1.514 43.425 42.059 -0.246 0.000 1.177 78 L HN 0.830 nan 8.230 nan 0.000 0.429 79 S N 3.001 118.920 115.700 0.365 0.000 2.405 79 S HA -0.003 4.459 4.470 -0.014 0.000 0.291 79 S C 0.834 175.748 174.600 0.524 0.000 1.137 79 S CA -0.508 57.996 58.200 0.507 0.000 1.061 79 S CB 0.124 63.638 63.200 0.524 0.000 1.001 79 S HN 0.676 nan 8.310 nan 0.000 0.507 80 W N 4.841 126.277 121.300 0.226 0.000 2.318 80 W HA -0.203 4.448 4.660 -0.014 0.000 0.313 80 W C 2.380 178.895 176.519 -0.006 0.000 1.221 80 W CA 2.169 59.429 57.345 -0.142 0.000 1.266 80 W CB -1.259 27.926 29.460 -0.459 0.000 1.150 80 W HN 0.855 nan 8.180 nan 0.000 0.496 81 S N -0.255 115.624 115.700 0.299 0.000 2.453 81 S HA -0.133 4.329 4.470 -0.014 0.000 0.231 81 S C 2.034 176.756 174.600 0.203 0.000 1.005 81 S CA 1.106 59.402 58.200 0.159 0.000 0.949 81 S CB -0.421 62.846 63.200 0.110 0.000 0.774 81 S HN 0.389 nan 8.310 nan 0.000 0.510 82 R N 0.659 121.332 120.500 0.289 0.000 2.073 82 R HA 0.186 4.518 4.340 -0.014 0.000 0.229 82 R C 2.203 178.713 176.300 0.349 0.000 1.120 82 R CA 1.158 57.421 56.100 0.272 0.000 0.967 82 R CB -0.329 30.159 30.300 0.313 0.000 0.862 82 R HN 0.446 nan 8.270 nan 0.000 0.436 83 L N 0.307 121.810 121.223 0.466 0.000 2.072 83 L HA -0.004 4.327 4.340 -0.014 0.000 0.205 83 L C 0.591 177.648 176.870 0.311 0.000 1.079 83 L CA 0.838 55.980 54.840 0.504 0.000 0.752 83 L CB 0.112 42.607 42.059 0.726 0.000 0.906 83 L HN 0.134 nan 8.230 nan 0.000 0.436 84 L N -0.394 120.990 121.223 0.268 0.000 2.462 84 L HA 0.256 4.588 4.340 -0.014 0.000 0.255 84 L C -1.854 175.095 176.870 0.133 0.000 1.076 84 L CA -1.430 53.511 54.840 0.167 0.000 0.920 84 L CB 1.244 43.384 42.059 0.136 0.000 1.214 84 L HN -0.200 nan 8.230 nan 0.000 0.472 85 P HA -0.218 nan 4.420 nan 0.000 0.217 85 P C 0.757 178.021 177.300 -0.060 0.000 1.148 85 P CA 1.439 64.540 63.100 0.002 0.000 0.834 85 P CB 0.151 31.792 31.700 -0.099 0.000 0.783 86 D N -3.151 117.215 120.400 -0.057 0.000 2.369 86 D HA 0.156 4.788 4.640 -0.014 0.000 0.211 86 D C 1.395 177.631 176.300 -0.107 0.000 1.077 86 D CA 0.422 54.371 54.000 -0.085 0.000 0.842 86 D CB -0.531 40.225 40.800 -0.073 0.000 0.947 86 D HN 0.219 nan 8.370 nan 0.000 0.509 87 G N -0.176 108.565 108.800 -0.099 0.000 2.234 87 G HA2 -0.240 3.711 3.960 -0.014 0.000 0.235 87 G HA3 -0.240 3.711 3.960 -0.014 0.000 0.235 87 G C 0.487 175.482 174.900 0.158 0.000 0.997 87 G CA 0.505 45.527 45.100 -0.130 0.000 0.623 87 G HN 0.900 nan 8.290 nan 0.000 0.514 88 T N -2.260 112.342 114.554 0.080 0.000 2.942 88 T HA 0.612 4.954 4.350 -0.014 0.000 0.289 88 T C 1.289 176.001 174.700 0.020 0.000 1.044 88 T CA 0.927 63.072 62.100 0.076 0.000 1.023 88 T CB 1.597 70.494 68.868 0.049 0.000 1.123 88 T HN 0.915 nan 8.240 nan 0.000 0.512 89 T N -1.856 112.686 114.554 -0.021 0.000 3.252 89 T HA 0.224 4.566 4.350 -0.014 0.000 0.250 89 T C 2.063 176.756 174.700 -0.011 0.000 1.123 89 T CA 0.371 62.417 62.100 -0.089 0.000 1.006 89 T CB -0.792 68.020 68.868 -0.093 0.000 0.992 89 T HN 0.853 nan 8.240 nan 0.000 0.547 90 G N 0.699 109.523 108.800 0.040 0.000 2.432 90 G HA2 0.041 3.993 3.960 -0.014 0.000 0.219 90 G HA3 0.041 3.993 3.960 -0.014 0.000 0.219 90 G C 0.077 175.056 174.900 0.133 0.000 1.135 90 G CA 0.108 45.252 45.100 0.074 0.000 0.767 90 G HN 0.616 nan 8.290 nan 0.000 0.550 91 F N 0.204 120.139 119.950 -0.026 0.000 2.617 91 F HA 0.600 5.119 4.527 -0.014 0.000 0.325 91 F C -1.022 174.762 175.800 -0.027 0.000 1.179 91 F CA -1.269 56.723 58.000 -0.013 0.000 0.965 91 F CB 1.517 40.515 39.000 -0.004 0.000 1.232 91 F HN -0.196 nan 8.300 nan 0.000 0.461 92 I N 4.910 125.397 120.570 -0.138 0.000 2.377 92 I HA 0.244 4.406 4.170 -0.014 0.000 0.293 92 I C -0.466 175.657 176.117 0.010 0.000 0.987 92 I CA -0.852 60.434 61.300 -0.024 0.000 1.185 92 I CB 1.484 39.470 38.000 -0.024 0.000 1.341 92 I HN 0.501 nan 8.210 nan 0.000 0.455 93 N N 4.980 123.817 118.700 0.229 0.000 2.439 93 N HA 0.018 4.750 4.740 -0.014 0.000 0.243 93 N C 0.650 176.303 175.510 0.238 0.000 1.088 93 N CA 0.057 53.267 53.050 0.267 0.000 0.940 93 N CB 0.951 39.626 38.487 0.314 0.000 1.180 93 N HN 0.485 nan 8.380 nan 0.000 0.505 94 Q N 3.673 123.569 119.800 0.160 0.000 2.170 94 Q HA -0.043 4.289 4.340 -0.014 0.000 0.203 94 Q C 1.059 177.180 176.000 0.202 0.000 0.976 94 Q CA 1.696 57.598 55.803 0.166 0.000 0.858 94 Q CB 0.151 28.947 28.738 0.096 0.000 0.907 94 Q HN 0.549 nan 8.270 nan 0.000 0.433 95 K N -0.958 119.562 120.400 0.199 0.000 2.147 95 K HA -0.071 4.241 4.320 -0.014 0.000 0.205 95 K C 1.924 178.702 176.600 0.297 0.000 1.049 95 K CA 0.983 57.401 56.287 0.217 0.000 0.936 95 K CB -0.365 32.257 32.500 0.202 0.000 0.722 95 K HN 0.404 nan 8.250 nan 0.000 0.446 96 G N 1.880 110.880 108.800 0.332 0.000 2.459 96 G HA2 -0.248 3.703 3.960 -0.014 0.000 0.217 96 G HA3 -0.248 3.703 3.960 -0.014 0.000 0.217 96 G C 1.524 176.745 174.900 0.535 0.000 1.183 96 G CA 0.731 46.088 45.100 0.427 0.000 0.776 96 G HN 0.139 nan 8.290 nan 0.000 0.552 97 I N 1.023 121.908 120.570 0.525 0.000 2.163 97 I HA -0.177 3.985 4.170 -0.014 0.000 0.243 97 I C 2.372 178.746 176.117 0.429 0.000 1.085 97 I CA 1.379 63.016 61.300 0.562 0.000 1.347 97 I CB -0.297 37.919 38.000 0.360 0.000 1.044 97 I HN 0.070 nan 8.210 nan 0.000 0.408 98 D N 0.088 120.657 120.400 0.282 0.000 2.123 98 D HA -0.254 4.378 4.640 -0.014 0.000 0.196 98 D C 1.892 178.265 176.300 0.123 0.000 0.992 98 D CA 1.476 55.584 54.000 0.181 0.000 0.833 98 D CB -0.453 40.431 40.800 0.141 0.000 0.954 98 D HN 0.436 nan 8.370 nan 0.000 0.455 99 Y N 0.238 120.527 120.300 -0.019 0.000 2.114 99 Y HA -0.338 4.204 4.550 -0.014 0.000 0.284 99 Y C 2.160 177.866 175.900 -0.323 0.000 1.143 99 Y CA 1.639 59.602 58.100 -0.228 0.000 1.135 99 Y CB -0.428 37.869 38.460 -0.272 0.000 0.980 99 Y HN -0.063 nan 8.280 nan 0.000 0.499 100 Y N 0.433 120.666 120.300 -0.112 0.000 2.242 100 Y HA -0.212 4.330 4.550 -0.014 0.000 0.291 100 Y C 2.380 178.119 175.900 -0.267 0.000 1.137 100 Y CA 1.383 59.286 58.100 -0.328 0.000 1.181 100 Y CB -0.901 37.402 38.460 -0.261 0.000 0.989 100 Y HN 0.227 nan 8.280 nan 0.000 0.527 101 N N 0.343 119.130 118.700 0.146 0.000 2.223 101 N HA -0.161 4.571 4.740 -0.014 0.000 0.185 101 N C 1.855 177.335 175.510 -0.051 0.000 1.016 101 N CA 1.202 54.334 53.050 0.137 0.000 0.863 101 N CB -0.197 38.416 38.487 0.211 0.000 0.983 101 N HN 0.222 nan 8.380 nan 0.000 0.429 102 K N 1.351 121.646 120.400 -0.176 0.000 2.057 102 K HA 0.096 4.408 4.320 -0.014 0.000 0.206 102 K C 1.916 178.249 176.600 -0.445 0.000 1.050 102 K CA 0.749 56.896 56.287 -0.232 0.000 0.935 102 K CB -0.381 31.993 32.500 -0.210 0.000 0.715 102 K HN 0.117 nan 8.250 nan 0.000 0.439 103 I N 0.362 120.381 120.570 -0.918 0.000 2.127 103 I HA -0.305 3.857 4.170 -0.014 0.000 0.241 103 I C 2.181 177.989 176.117 -0.516 0.000 1.075 103 I CA 1.493 62.001 61.300 -1.320 0.000 1.334 103 I CB -0.309 36.639 38.000 -1.755 0.000 1.040 103 I HN 0.119 nan 8.210 nan 0.000 0.405 104 I N 0.605 121.011 120.570 -0.273 0.000 2.179 104 I HA -0.304 3.858 4.170 -0.014 0.000 0.242 104 I C 2.141 178.257 176.117 -0.002 0.000 1.088 104 I CA 1.460 62.735 61.300 -0.042 0.000 1.357 104 I CB -0.513 37.512 38.000 0.042 0.000 1.051 104 I HN 0.234 nan 8.210 nan 0.000 0.409 105 D N 0.747 121.142 120.400 -0.008 0.000 2.117 105 D HA -0.175 4.457 4.640 -0.014 0.000 0.197 105 D C 1.794 178.120 176.300 0.043 0.000 0.987 105 D CA 1.269 55.283 54.000 0.023 0.000 0.829 105 D CB -0.455 40.359 40.800 0.024 0.000 0.961 105 D HN 0.280 nan 8.370 nan 0.000 0.460 106 D N 0.410 120.852 120.400 0.070 0.000 2.104 106 D HA -0.093 4.538 4.640 -0.014 0.000 0.194 106 D C 2.380 178.761 176.300 0.136 0.000 0.994 106 D CA 0.415 54.505 54.000 0.150 0.000 0.830 106 D CB -0.375 40.652 40.800 0.377 0.000 0.959 106 D HN 0.196 nan 8.370 nan 0.000 0.452 107 L N 0.129 121.443 121.223 0.152 0.000 2.042 107 L HA -0.162 4.170 4.340 -0.014 0.000 0.210 107 L C 2.542 179.451 176.870 0.065 0.000 1.076 107 L CA 0.773 55.692 54.840 0.131 0.000 0.749 107 L CB -0.340 41.818 42.059 0.165 0.000 0.893 107 L HN 0.076 nan 8.230 nan 0.000 0.432 108 L N -0.686 120.566 121.223 0.049 0.000 2.093 108 L HA -0.196 4.135 4.340 -0.014 0.000 0.208 108 L C 2.602 179.483 176.870 0.018 0.000 1.085 108 L CA 1.072 55.927 54.840 0.025 0.000 0.755 108 L CB -0.489 41.583 42.059 0.022 0.000 0.904 108 L HN 0.206 nan 8.230 nan 0.000 0.435 109 K N 0.172 120.587 120.400 0.025 0.000 2.127 109 K HA -0.195 4.116 4.320 -0.014 0.000 0.208 109 K C 1.314 177.917 176.600 0.006 0.000 1.047 109 K CA 1.469 57.766 56.287 0.016 0.000 0.927 109 K CB -0.100 32.412 32.500 0.021 0.000 0.716 109 K HN 0.358 nan 8.250 nan 0.000 0.450 110 N N -0.810 117.895 118.700 0.008 0.000 2.235 110 N HA 0.030 4.762 4.740 -0.014 0.000 0.209 110 N C 0.443 175.948 175.510 -0.008 0.000 1.122 110 N CA 0.758 53.805 53.050 -0.006 0.000 0.845 110 N CB 1.452 39.930 38.487 -0.015 0.000 1.004 110 N HN 0.353 nan 8.380 nan 0.000 0.499 111 G N 0.702 109.498 108.800 -0.007 0.000 2.155 111 G HA2 -0.267 3.685 3.960 -0.014 0.000 0.257 111 G HA3 -0.267 3.685 3.960 -0.014 0.000 0.257 111 G C 0.047 174.926 174.900 -0.036 0.000 0.983 111 G CA 0.221 45.310 45.100 -0.019 0.000 0.676 111 G HN 0.184 nan 8.290 nan 0.000 0.528 112 V N 1.316 121.220 119.914 -0.017 0.000 2.432 112 V HA 0.513 4.624 4.120 -0.014 0.000 0.275 112 V C 0.818 176.890 176.094 -0.038 0.000 1.043 112 V CA -0.020 62.270 62.300 -0.016 0.000 0.925 112 V CB 1.552 33.409 31.823 0.058 0.000 0.985 112 V HN 0.272 nan 8.190 nan 0.000 0.466 113 T N 8.457 122.905 114.554 -0.177 0.000 2.749 113 T HA 0.287 4.629 4.350 -0.014 0.000 0.295 113 T C -2.361 172.330 174.700 -0.016 0.000 0.936 113 T CA -0.834 61.150 62.100 -0.193 0.000 1.060 113 T CB 1.074 69.640 68.868 -0.504 0.000 0.904 113 T HN 0.513 nan 8.240 nan 0.000 0.500 114 P HA 0.329 nan 4.420 nan 0.000 0.276 114 P C -0.740 176.524 177.300 -0.060 0.000 1.230 114 P CA -0.314 62.837 63.100 0.085 0.000 0.776 114 P CB 0.665 32.409 31.700 0.073 0.000 0.888 115 I N 3.364 123.894 120.570 -0.068 0.000 2.390 115 I HA 0.250 4.412 4.170 -0.014 0.000 0.283 115 I C -0.197 175.711 176.117 -0.348 0.000 1.016 115 I CA -0.958 60.265 61.300 -0.129 0.000 1.151 115 I CB 1.768 39.803 38.000 0.059 0.000 1.293 115 I HN -0.028 nan 8.210 nan 0.000 0.458 116 V N 4.992 124.626 119.914 -0.466 0.000 2.417 116 V HA 0.316 4.428 4.120 -0.014 0.000 0.291 116 V C 0.294 176.286 176.094 -0.171 0.000 1.024 116 V CA -0.442 61.491 62.300 -0.611 0.000 0.861 116 V CB 1.797 33.150 31.823 -0.784 0.000 0.985 116 V HN 0.663 nan 8.190 nan 0.000 0.436 117 T N 6.497 120.967 114.554 -0.140 0.000 2.743 117 T HA 0.378 4.720 4.350 -0.014 0.000 0.293 117 T C 1.343 176.120 174.700 0.128 0.000 0.945 117 T CA -0.303 61.842 62.100 0.075 0.000 1.030 117 T CB 1.015 69.975 68.868 0.154 0.000 0.912 117 T HN 0.426 nan 8.240 nan 0.000 0.483 118 L N 2.261 123.605 121.223 0.201 0.000 2.093 118 L HA 0.106 4.438 4.340 -0.014 0.000 0.208 118 L C 0.523 177.710 176.870 0.528 0.000 1.085 118 L CA 1.067 56.021 54.840 0.190 0.000 0.755 118 L CB -0.103 41.920 42.059 -0.060 0.000 0.904 118 L HN 0.654 nan 8.230 nan 0.000 0.435 119 Y N -0.755 119.795 120.300 0.417 0.000 2.330 119 Y HA 0.345 4.886 4.550 -0.014 0.000 0.324 119 Y C -0.909 175.218 175.900 0.378 0.000 1.093 119 Y CA -0.962 57.465 58.100 0.545 0.000 1.103 119 Y CB 0.981 39.920 38.460 0.798 0.000 1.183 119 Y HN -0.021 nan 8.280 nan 0.000 0.433 120 H N 7.875 126.846 119.070 -0.165 0.000 2.448 120 H HA 0.288 4.836 4.556 -0.014 0.000 0.237 120 H C -0.663 174.502 175.328 -0.271 0.000 1.391 120 H CA -0.576 55.278 56.048 -0.323 0.000 1.477 120 H CB -0.129 29.595 29.762 -0.064 0.000 1.520 120 H HN 0.759 nan 8.280 nan 0.000 0.502 121 F N 0.732 120.402 119.950 -0.467 0.000 2.871 121 F HA -0.284 4.235 4.527 -0.013 0.000 0.326 121 F C 0.042 175.941 175.800 0.166 0.000 0.675 121 F CA 1.242 59.102 58.000 -0.232 0.000 1.188 121 F CB -1.956 36.741 39.000 -0.504 0.000 1.567 121 F HN 0.614 nan 8.300 nan 0.000 0.325 122 D N -0.097 120.595 120.400 0.488 0.000 2.749 122 D HA 0.431 5.062 4.640 -0.014 0.000 0.338 122 D C 0.033 176.711 176.300 0.630 0.000 1.236 122 D CA -0.485 53.878 54.000 0.604 0.000 0.845 122 D CB 0.025 41.155 40.800 0.550 0.000 1.080 122 D HN 0.074 nan 8.370 nan 0.000 0.497 123 L N 1.259 122.845 121.223 0.605 0.000 2.514 123 L HA 0.235 4.567 4.340 -0.014 0.000 0.280 123 L C -2.167 174.673 176.870 -0.050 0.000 1.223 123 L CA -1.193 53.763 54.840 0.193 0.000 0.864 123 L CB 0.130 42.243 42.059 0.091 0.000 1.118 123 L HN 0.056 nan 8.230 nan 0.000 0.494 124 P HA 0.003 nan 4.420 nan 0.000 0.266 124 P C -0.133 177.033 177.300 -0.223 0.000 1.195 124 P CA -0.065 62.858 63.100 -0.295 0.000 0.768 124 P CB 0.535 31.915 31.700 -0.532 0.000 0.838 125 Q N 2.993 122.724 119.800 -0.115 0.000 2.135 125 Q HA -0.185 4.146 4.340 -0.014 0.000 0.204 125 Q C 1.705 177.637 176.000 -0.114 0.000 0.981 125 Q CA 2.719 58.469 55.803 -0.087 0.000 0.856 125 Q CB -1.315 27.404 28.738 -0.031 0.000 0.902 125 Q HN 0.609 nan 8.270 nan 0.000 0.425 126 T N -1.457 113.017 114.554 -0.135 0.000 2.699 126 T HA -0.182 4.159 4.350 -0.014 0.000 0.268 126 T C 1.783 176.382 174.700 -0.169 0.000 1.036 126 T CA 1.637 63.657 62.100 -0.135 0.000 1.147 126 T CB -0.535 68.252 68.868 -0.134 0.000 0.862 126 T HN 0.323 nan 8.240 nan 0.000 0.446 127 L N 0.436 121.503 121.223 -0.261 0.000 2.156 127 L HA 0.096 4.428 4.340 -0.014 0.000 0.208 127 L C 2.991 179.714 176.870 -0.245 0.000 1.095 127 L CA 1.349 56.006 54.840 -0.305 0.000 0.770 127 L CB -0.583 41.166 42.059 -0.516 0.000 0.914 127 L HN 0.285 nan 8.230 nan 0.000 0.439 128 E N 0.747 120.831 120.200 -0.193 0.000 2.110 128 E HA -0.222 4.120 4.350 -0.014 0.000 0.193 128 E C 1.669 178.230 176.600 -0.064 0.000 0.988 128 E CA 1.328 57.669 56.400 -0.098 0.000 0.804 128 E CB 0.035 29.697 29.700 -0.062 0.000 0.745 128 E HN 0.307 nan 8.360 nan 0.000 0.458 129 D N 0.199 120.554 120.400 -0.074 0.000 2.178 129 D HA -0.140 4.492 4.640 -0.014 0.000 0.201 129 D C 1.193 177.461 176.300 -0.053 0.000 0.980 129 D CA 0.935 54.904 54.000 -0.052 0.000 0.842 129 D CB -0.149 40.620 40.800 -0.052 0.000 0.948 129 D HN 0.382 nan 8.370 nan 0.000 0.472 130 Q N -0.821 118.932 119.800 -0.079 0.000 2.373 130 Q HA 0.302 4.633 4.340 -0.014 0.000 0.206 130 Q C 1.047 177.002 176.000 -0.075 0.000 0.942 130 Q CA 0.446 56.204 55.803 -0.074 0.000 0.953 130 Q CB 0.745 29.430 28.738 -0.089 0.000 1.022 130 Q HN 0.312 nan 8.270 nan 0.000 0.502 131 G N -1.054 107.708 108.800 -0.063 0.000 2.336 131 G HA2 -0.153 3.799 3.960 -0.014 0.000 0.194 131 G HA3 -0.153 3.799 3.960 -0.014 0.000 0.194 131 G C 0.635 175.505 174.900 -0.050 0.000 0.999 131 G CA -0.437 44.637 45.100 -0.044 0.000 0.669 131 G HN 0.703 nan 8.290 nan 0.000 0.482 132 G N -0.239 108.481 108.800 -0.132 0.000 2.574 132 G HA2 -0.311 3.641 3.960 -0.014 0.000 0.286 132 G HA3 -0.311 3.641 3.960 -0.014 0.000 0.286 132 G C 0.728 175.403 174.900 -0.376 0.000 1.212 132 G CA 0.980 45.957 45.100 -0.204 0.000 0.979 132 G HN 1.064 nan 8.290 nan 0.000 0.557 133 W N 0.799 121.999 121.300 -0.168 0.000 3.180 133 W HA 0.461 5.113 4.660 -0.014 0.000 0.254 133 W C 2.358 178.650 176.519 -0.379 0.000 1.318 133 W CA 0.031 57.179 57.345 -0.327 0.000 1.608 133 W CB -0.080 29.130 29.460 -0.416 0.000 1.124 133 W HN 0.283 nan 8.180 nan 0.000 0.694 134 L N -0.211 120.891 121.223 -0.202 0.000 2.492 134 L HA 0.080 4.412 4.340 -0.014 0.000 0.223 134 L C 1.300 178.144 176.870 -0.043 0.000 1.132 134 L CA 0.478 55.247 54.840 -0.118 0.000 0.850 134 L CB -0.306 41.706 42.059 -0.078 0.000 0.966 134 L HN -0.213 nan 8.230 nan 0.000 0.454 135 S N -0.992 114.680 115.700 -0.047 0.000 2.532 135 S HA 0.450 4.912 4.470 -0.014 0.000 0.301 135 S C 0.885 175.478 174.600 -0.011 0.000 1.083 135 S CA 0.193 58.376 58.200 -0.029 0.000 1.025 135 S CB 2.092 65.264 63.200 -0.047 0.000 1.056 135 S HN 0.185 nan 8.310 nan 0.000 0.494 136 E N 2.690 122.903 120.200 0.020 0.000 2.153 136 E HA -0.024 4.318 4.350 -0.014 0.000 0.194 136 E C 2.232 178.846 176.600 0.022 0.000 0.988 136 E CA 1.868 58.296 56.400 0.046 0.000 0.811 136 E CB -1.325 28.409 29.700 0.056 0.000 0.746 136 E HN 1.107 nan 8.360 nan 0.000 0.466 137 A N 0.490 123.304 122.820 -0.009 0.000 1.958 137 A HA -0.093 4.219 4.320 -0.014 0.000 0.221 137 A C 2.438 180.000 177.584 -0.036 0.000 1.178 137 A CA 1.786 53.811 52.037 -0.019 0.000 0.642 137 A CB -0.515 18.461 19.000 -0.039 0.000 0.816 137 A HN 0.592 nan 8.150 nan 0.000 0.453 138 I N 0.008 120.512 120.570 -0.111 0.000 2.335 138 I HA -0.241 3.920 4.170 -0.014 0.000 0.251 138 I C 2.091 178.187 176.117 -0.035 0.000 1.129 138 I CA 1.119 62.283 61.300 -0.226 0.000 1.402 138 I CB -0.236 37.385 38.000 -0.631 0.000 1.069 138 I HN 0.423 nan 8.210 nan 0.000 0.424 139 I N -0.062 120.548 120.570 0.067 0.000 2.127 139 I HA -0.268 3.894 4.170 -0.014 0.000 0.241 139 I C 2.378 178.623 176.117 0.213 0.000 1.075 139 I CA 1.289 62.702 61.300 0.188 0.000 1.334 139 I CB -0.591 37.507 38.000 0.163 0.000 1.040 139 I HN 0.181 nan 8.210 nan 0.000 0.405 140 E N 0.603 120.888 120.200 0.141 0.000 2.106 140 E HA -0.130 4.212 4.350 -0.014 0.000 0.192 140 E C 2.409 179.099 176.600 0.150 0.000 0.984 140 E CA 1.111 57.587 56.400 0.127 0.000 0.806 140 E CB -0.141 29.609 29.700 0.084 0.000 0.750 140 E HN 0.372 nan 8.360 nan 0.000 0.458 141 S N 0.637 116.437 115.700 0.166 0.000 2.356 141 S HA -0.137 4.325 4.470 -0.014 0.000 0.223 141 S C 1.703 176.530 174.600 0.378 0.000 1.032 141 S CA 0.985 59.331 58.200 0.242 0.000 1.005 141 S CB -0.387 62.924 63.200 0.184 0.000 0.867 141 S HN 0.287 nan 8.310 nan 0.000 0.449 142 F N 2.451 122.546 119.950 0.242 0.000 2.146 142 F HA -0.115 4.404 4.527 -0.013 0.000 0.298 142 F C 2.054 177.874 175.800 0.032 0.000 1.096 142 F CA 1.635 59.725 58.000 0.151 0.000 1.275 142 F CB -0.450 38.706 39.000 0.260 0.000 1.008 142 F HN 0.145 nan 8.300 nan 0.000 0.480 143 D N 0.009 120.492 120.400 0.139 0.000 2.117 143 D HA -0.187 4.445 4.640 -0.014 0.000 0.197 143 D C 2.073 178.313 176.300 -0.101 0.000 0.987 143 D CA 1.592 55.602 54.000 0.016 0.000 0.829 143 D CB -0.088 40.790 40.800 0.131 0.000 0.961 143 D HN 0.269 nan 8.370 nan 0.000 0.460 144 K N -1.095 119.295 120.400 -0.018 0.000 2.057 144 K HA -0.149 4.162 4.320 -0.014 0.000 0.206 144 K C 2.203 178.768 176.600 -0.059 0.000 1.050 144 K CA 0.952 57.238 56.287 -0.001 0.000 0.935 144 K CB -0.384 32.156 32.500 0.066 0.000 0.715 144 K HN 0.325 nan 8.250 nan 0.000 0.439 145 Y N 1.369 121.490 120.300 -0.299 0.000 2.128 145 Y HA -0.330 4.211 4.550 -0.014 0.000 0.284 145 Y C 2.221 177.744 175.900 -0.628 0.000 1.154 145 Y CA 1.475 59.268 58.100 -0.511 0.000 1.149 145 Y CB -0.120 37.654 38.460 -1.144 0.000 0.976 145 Y HN 0.065 nan 8.280 nan 0.000 0.505 146 A N 0.499 122.681 122.820 -1.063 0.000 1.883 146 A HA -0.280 4.032 4.320 -0.014 0.000 0.217 146 A C 2.075 178.819 177.584 -1.401 0.000 1.186 146 A CA 2.054 53.222 52.037 -1.449 0.000 0.624 146 A CB -0.878 17.367 19.000 -1.259 0.000 0.822 146 A HN 0.700 nan 8.150 nan 0.000 0.444 147 Q N -1.820 117.600 119.800 -0.633 0.000 2.096 147 Q HA -0.193 4.139 4.340 -0.014 0.000 0.204 147 Q C 1.935 177.777 176.000 -0.264 0.000 0.982 147 Q CA 1.651 57.318 55.803 -0.226 0.000 0.850 147 Q CB -0.365 28.441 28.738 0.113 0.000 0.901 147 Q HN 0.775 nan 8.270 nan 0.000 0.422 148 F N 0.727 120.465 119.950 -0.352 0.000 2.126 148 F HA -0.272 4.247 4.527 -0.014 0.000 0.299 148 F C 2.056 177.620 175.800 -0.393 0.000 1.096 148 F CA 1.299 59.137 58.000 -0.271 0.000 1.255 148 F CB -0.465 38.443 39.000 -0.154 0.000 0.997 148 F HN 0.058 nan 8.300 nan 0.000 0.479 149 C N 0.255 119.095 119.300 -0.767 0.000 2.446 149 C HA -0.127 4.325 4.460 -0.014 0.000 0.277 149 C C 2.641 177.301 174.990 -0.550 0.000 1.275 149 C CA 0.542 59.153 59.018 -0.678 0.000 1.727 149 C CB -1.660 25.635 27.740 -0.742 0.000 2.010 149 C HN 0.487 nan 8.230 nan 0.000 0.486 150 F N 1.335 120.761 119.950 -0.873 0.000 2.095 150 F HA -0.145 4.374 4.527 -0.014 0.000 0.298 150 F C 2.833 178.129 175.800 -0.840 0.000 1.104 150 F CA 1.669 59.052 58.000 -1.028 0.000 1.232 150 F CB -1.598 36.405 39.000 -1.662 0.000 0.987 150 F HN 0.169 nan 8.300 nan 0.000 0.475 151 S N -0.612 114.713 115.700 -0.625 0.000 2.353 151 S HA -0.190 4.271 4.470 -0.014 0.000 0.222 151 S C 2.134 176.566 174.600 -0.279 0.000 1.035 151 S CA 2.213 60.282 58.200 -0.218 0.000 1.025 151 S CB -0.533 62.635 63.200 -0.055 0.000 0.902 151 S HN 0.428 nan 8.310 nan 0.000 0.440 152 T N 0.451 114.647 114.554 -0.597 0.000 2.812 152 T HA 0.092 4.434 4.350 -0.014 0.000 0.264 152 T C 0.987 175.278 174.700 -0.682 0.000 1.042 152 T CA 1.236 62.833 62.100 -0.838 0.000 1.140 152 T CB -0.256 67.649 68.868 -1.606 0.000 0.870 152 T HN 0.488 nan 8.240 nan 0.000 0.445 153 F N 0.120 120.050 119.950 -0.033 0.000 2.724 153 F HA 0.435 4.954 4.527 -0.014 0.000 0.306 153 F C 2.282 178.201 175.800 0.198 0.000 1.100 153 F CA -0.769 57.293 58.000 0.103 0.000 1.255 153 F CB -0.498 38.603 39.000 0.169 0.000 1.072 153 F HN 0.141 nan 8.300 nan 0.000 0.589 154 G N 0.534 109.573 108.800 0.398 0.000 2.598 154 G HA2 -0.187 3.765 3.960 -0.014 0.000 0.215 154 G HA3 -0.187 3.765 3.960 -0.014 0.000 0.215 154 G C 1.326 176.383 174.900 0.263 0.000 1.131 154 G CA 0.960 46.348 45.100 0.480 0.000 0.785 154 G HN 0.420 nan 8.290 nan 0.000 0.539 155 D N 0.323 120.825 120.400 0.170 0.000 2.310 155 D HA -0.062 4.570 4.640 -0.014 0.000 0.212 155 D C 2.043 178.403 176.300 0.099 0.000 0.965 155 D CA 0.546 54.615 54.000 0.116 0.000 0.879 155 D CB -0.099 40.749 40.800 0.080 0.000 0.921 155 D HN 0.360 nan 8.370 nan 0.000 0.510 156 R N -0.584 119.982 120.500 0.110 0.000 2.507 156 R HA 0.250 4.582 4.340 -0.014 0.000 0.230 156 R C -0.091 176.213 176.300 0.007 0.000 0.897 156 R CA -0.073 56.066 56.100 0.065 0.000 1.006 156 R CB 1.588 31.935 30.300 0.078 0.000 1.341 156 R HN -0.052 nan 8.270 nan 0.000 0.604 157 V N 2.377 122.275 119.914 -0.026 0.000 2.394 157 V HA 0.218 4.330 4.120 -0.014 0.000 0.282 157 V C 0.324 176.246 176.094 -0.286 0.000 1.031 157 V CA -0.233 61.889 62.300 -0.297 0.000 0.881 157 V CB 1.701 33.096 31.823 -0.713 0.000 0.982 157 V HN 0.094 nan 8.190 nan 0.000 0.451 158 K N 2.990 123.211 120.400 -0.297 0.000 2.438 158 K HA 0.324 4.636 4.320 -0.014 0.000 0.206 158 K C -0.075 176.399 176.600 -0.211 0.000 1.081 158 K CA 0.008 56.215 56.287 -0.133 0.000 1.053 158 K CB 1.143 33.633 32.500 -0.016 0.000 0.908 158 K HN 0.637 nan 8.250 nan 0.000 0.556 159 Q N -0.136 119.399 119.800 -0.443 0.000 2.275 159 Q HA 0.345 4.677 4.340 -0.014 0.000 0.266 159 Q C -1.636 174.151 176.000 -0.355 0.000 1.002 159 Q CA -0.295 55.348 55.803 -0.267 0.000 0.761 159 Q CB 1.551 30.210 28.738 -0.130 0.000 1.255 159 Q HN 0.022 nan 8.270 nan 0.000 0.446 160 W N 3.548 124.874 121.300 0.043 0.000 2.702 160 W HA 0.609 5.260 4.660 -0.014 0.000 0.331 160 W C -0.639 175.938 176.519 0.097 0.000 1.049 160 W CA -0.692 56.672 57.345 0.031 0.000 1.230 160 W CB 1.343 30.802 29.460 -0.003 0.000 1.408 160 W HN 0.327 nan 8.180 nan 0.000 0.492 161 I N 3.253 124.011 120.570 0.313 0.000 2.354 161 I HA 0.090 4.252 4.170 -0.014 0.000 0.286 161 I C 1.439 177.695 176.117 0.233 0.000 1.007 161 I CA -0.498 60.920 61.300 0.196 0.000 1.167 161 I CB 0.943 39.013 38.000 0.117 0.000 1.320 161 I HN 0.692 nan 8.210 nan 0.000 0.458 162 T N 4.863 119.577 114.554 0.266 0.000 2.701 162 T HA 0.097 4.439 4.350 -0.014 0.000 0.263 162 T C 0.780 175.757 174.700 0.461 0.000 1.040 162 T CA 1.044 63.389 62.100 0.408 0.000 1.147 162 T CB 0.090 69.319 68.868 0.601 0.000 0.865 162 T HN 0.394 nan 8.240 nan 0.000 0.426 163 I N 1.881 122.594 120.570 0.239 0.000 2.478 163 I HA 0.312 4.474 4.170 -0.014 0.000 0.287 163 I C -0.425 175.626 176.117 -0.110 0.000 1.042 163 I CA -0.901 60.477 61.300 0.129 0.000 1.067 163 I CB 1.956 39.960 38.000 0.008 0.000 1.233 163 I HN 0.239 nan 8.210 nan 0.000 0.431 164 N N 6.625 125.161 118.700 -0.274 0.000 2.475 164 N HA 0.014 4.746 4.740 -0.014 0.000 0.267 164 N C -0.220 175.040 175.510 -0.417 0.000 1.169 164 N CA 0.242 52.976 53.050 -0.527 0.000 0.947 164 N CB 0.637 38.346 38.487 -1.296 0.000 1.061 164 N HN 0.666 nan 8.380 nan 0.000 0.466 165 E N 1.630 121.657 120.200 -0.287 0.000 2.160 165 E HA -0.271 4.070 4.350 -0.014 0.000 0.180 165 E C 0.842 177.327 176.600 -0.191 0.000 1.452 165 E CA 0.259 56.563 56.400 -0.160 0.000 0.683 165 E CB -1.106 28.593 29.700 -0.003 0.000 1.072 165 E HN 0.701 nan 8.360 nan 0.000 0.332 166 A N 1.786 124.381 122.820 -0.375 0.000 2.032 166 A HA -0.317 3.995 4.320 -0.014 0.000 0.221 166 A C 1.941 179.125 177.584 -0.666 0.000 1.165 166 A CA 1.993 53.742 52.037 -0.480 0.000 0.645 166 A CB -0.336 18.354 19.000 -0.517 0.000 0.807 166 A HN 0.643 nan 8.150 nan 0.000 0.453 167 N N 0.334 118.484 118.700 -0.916 0.000 2.171 167 N HA -0.098 4.633 4.740 -0.014 0.000 0.184 167 N C 1.401 176.753 175.510 -0.264 0.000 1.021 167 N CA 1.873 54.544 53.050 -0.631 0.000 0.854 167 N CB -1.171 37.053 38.487 -0.438 0.000 0.994 167 N HN 0.228 nan 8.380 nan 0.000 0.426 168 V N 1.083 120.815 119.914 -0.305 0.000 2.295 168 V HA -0.155 3.957 4.120 -0.014 0.000 0.246 168 V C 2.537 178.310 176.094 -0.536 0.000 1.049 168 V CA 1.308 63.330 62.300 -0.462 0.000 1.024 168 V CB -0.796 30.717 31.823 -0.516 0.000 0.648 168 V HN 0.230 nan 8.190 nan 0.000 0.447 169 L N 0.235 121.205 121.223 -0.423 0.000 1.990 169 L HA -0.187 4.144 4.340 -0.014 0.000 0.213 169 L C 2.589 179.358 176.870 -0.168 0.000 1.072 169 L CA 2.417 57.034 54.840 -0.372 0.000 0.755 169 L CB -0.821 41.157 42.059 -0.135 0.000 0.889 169 L HN 0.290 nan 8.230 nan 0.000 0.432 170 S N -1.091 114.575 115.700 -0.057 0.000 2.368 170 S HA -0.227 4.234 4.470 -0.014 0.000 0.226 170 S C 1.897 176.510 174.600 0.021 0.000 1.044 170 S CA 1.742 60.000 58.200 0.096 0.000 1.062 170 S CB -0.595 62.718 63.200 0.188 0.000 0.931 170 S HN 0.367 nan 8.310 nan 0.000 0.440 171 V N 1.997 121.838 119.914 -0.121 0.000 2.255 171 V HA -0.141 3.970 4.120 -0.014 0.000 0.243 171 V C 2.411 178.329 176.094 -0.294 0.000 1.038 171 V CA 1.455 63.642 62.300 -0.187 0.000 1.008 171 V CB -0.553 31.141 31.823 -0.216 0.000 0.645 171 V HN 0.428 nan 8.190 nan 0.000 0.449 172 M N -0.276 119.006 119.600 -0.529 0.000 2.117 172 M HA -0.117 4.354 4.480 -0.014 0.000 0.262 172 M C 2.334 178.292 176.300 -0.570 0.000 1.065 172 M CA 1.755 56.585 55.300 -0.785 0.000 1.114 172 M CB -1.425 30.160 32.600 -1.692 0.000 1.361 172 M HN 0.328 nan 8.290 nan 0.000 0.408 173 S N -1.260 114.160 115.700 -0.467 0.000 2.406 173 S HA -0.005 4.457 4.470 -0.014 0.000 0.224 173 S C 1.438 175.668 174.600 -0.617 0.000 1.030 173 S CA 0.755 58.620 58.200 -0.558 0.000 0.958 173 S CB 0.013 62.802 63.200 -0.685 0.000 0.811 173 S HN 0.441 nan 8.310 nan 0.000 0.489 174 Y N -0.048 120.213 120.300 -0.065 0.000 2.430 174 Y HA 0.334 4.875 4.550 -0.014 0.000 0.254 174 Y C 1.692 177.617 175.900 0.043 0.000 1.088 174 Y CA -0.438 57.681 58.100 0.032 0.000 1.267 174 Y CB 0.218 38.722 38.460 0.073 0.000 1.204 174 Y HN 0.148 nan 8.280 nan 0.000 0.515 175 D N -0.372 120.079 120.400 0.085 0.000 2.735 175 D HA 0.070 4.701 4.640 -0.014 0.000 0.267 175 D C 1.754 178.147 176.300 0.156 0.000 1.081 175 D CA 0.657 54.711 54.000 0.090 0.000 0.980 175 D CB 0.095 40.889 40.800 -0.011 0.000 1.129 175 D HN 0.064 nan 8.370 nan 0.000 0.459 176 L N -0.326 120.938 121.223 0.069 0.000 2.270 176 L HA 0.242 4.573 4.340 -0.014 0.000 0.210 176 L C 1.362 178.258 176.870 0.043 0.000 1.104 176 L CA 0.600 55.538 54.840 0.164 0.000 0.804 176 L CB -0.209 41.832 42.059 -0.031 0.000 0.937 176 L HN 0.320 nan 8.230 nan 0.000 0.450 177 G N -0.094 108.642 108.800 -0.106 0.000 2.249 177 G HA2 -0.290 3.662 3.960 -0.014 0.000 0.273 177 G HA3 -0.290 3.662 3.960 -0.014 0.000 0.273 177 G C 0.804 175.642 174.900 -0.105 0.000 1.036 177 G CA 0.400 45.403 45.100 -0.162 0.000 0.824 177 G HN 0.131 nan 8.290 nan 0.000 0.504 178 M N -1.415 118.101 119.600 -0.139 0.000 2.388 178 M HA 0.332 4.803 4.480 -0.014 0.000 0.265 178 M C 0.805 177.134 176.300 0.048 0.000 1.088 178 M CA 0.771 56.049 55.300 -0.038 0.000 1.134 178 M CB -0.470 32.051 32.600 -0.132 0.000 1.384 178 M HN 0.211 nan 8.290 nan 0.000 0.447 179 F N 1.196 120.857 119.950 -0.482 0.000 2.450 179 F HA 0.477 4.996 4.527 -0.013 0.000 0.328 179 F C -1.763 173.355 175.800 -1.137 0.000 1.068 179 F CA -3.600 53.849 58.000 -0.918 0.000 1.007 179 F CB -0.236 38.350 39.000 -0.690 0.000 1.251 179 F HN -0.158 nan 8.300 nan 0.000 0.492 180 P HA 0.017 nan 4.420 nan 0.000 0.265 180 P C -2.246 174.698 177.300 -0.594 0.000 1.187 180 P CA -0.773 61.773 63.100 -0.924 0.000 0.766 180 P CB 0.143 31.230 31.700 -1.023 0.000 0.820 181 P HA 0.026 nan 4.420 nan 0.000 0.249 181 P C 0.831 178.062 177.300 -0.115 0.000 1.229 181 P CA 0.779 63.755 63.100 -0.208 0.000 0.788 181 P CB -0.217 31.417 31.700 -0.110 0.000 1.072 182 G N 0.253 108.952 108.800 -0.168 0.000 2.147 182 G HA2 -0.185 3.766 3.960 -0.014 0.000 0.244 182 G HA3 -0.185 3.766 3.960 -0.014 0.000 0.244 182 G C -0.107 174.738 174.900 -0.092 0.000 1.005 182 G CA -0.350 44.735 45.100 -0.024 0.000 0.713 182 G HN 0.275 nan 8.290 nan 0.000 0.515 183 I N 0.476 120.931 120.570 -0.192 0.000 2.362 183 I HA 0.348 4.509 4.170 -0.014 0.000 0.289 183 I C -2.238 173.566 176.117 -0.521 0.000 0.994 183 I CA -3.289 57.821 61.300 -0.317 0.000 1.158 183 I CB 1.174 38.980 38.000 -0.324 0.000 1.315 183 I HN -0.186 nan 8.210 nan 0.000 0.451 184 P HA 0.183 nan 4.420 nan 0.000 0.267 184 P C -0.789 176.043 177.300 -0.780 0.000 1.205 184 P CA 0.311 63.042 63.100 -0.616 0.000 0.765 184 P CB 0.083 31.313 31.700 -0.783 0.000 0.828 185 H N 2.456 121.376 119.070 -0.251 0.000 2.511 185 H HA 0.272 4.820 4.556 -0.014 0.000 0.228 185 H C -0.457 174.869 175.328 -0.003 0.000 1.424 185 H CA -0.712 55.254 56.048 -0.136 0.000 1.321 185 H CB -0.291 29.455 29.762 -0.026 0.000 1.720 185 H HN 0.255 nan 8.280 nan 0.000 0.512 186 F N 1.287 121.264 119.950 0.046 0.000 2.612 186 F HA 0.149 4.668 4.527 -0.013 0.000 0.389 186 F C 1.772 177.575 175.800 0.004 0.000 1.055 186 F CA 1.322 59.320 58.000 -0.003 0.000 1.232 186 F CB -0.083 38.911 39.000 -0.009 0.000 1.044 186 F HN 0.749 nan 8.300 nan 0.000 0.560 187 G N 1.772 110.652 108.800 0.132 0.000 2.184 187 G HA2 -0.366 3.586 3.960 -0.014 0.000 0.264 187 G HA3 -0.366 3.586 3.960 -0.014 0.000 0.264 187 G C 0.862 175.780 174.900 0.030 0.000 0.975 187 G CA 1.070 46.201 45.100 0.051 0.000 0.642 187 G HN 0.954 nan 8.290 nan 0.000 0.536 188 T N -3.900 110.668 114.554 0.022 0.000 3.221 188 T HA 0.398 4.740 4.350 -0.014 0.000 0.250 188 T C 2.391 177.090 174.700 -0.001 0.000 0.988 188 T CA 1.334 63.449 62.100 0.025 0.000 1.163 188 T CB -0.434 68.451 68.868 0.029 0.000 1.098 188 T HN 1.112 nan 8.240 nan 0.000 0.422 189 G N 1.291 110.119 108.800 0.046 0.000 2.432 189 G HA2 0.127 4.079 3.960 -0.014 0.000 0.219 189 G HA3 0.127 4.079 3.960 -0.014 0.000 0.219 189 G C 1.604 176.546 174.900 0.070 0.000 1.135 189 G CA 0.870 46.023 45.100 0.090 0.000 0.767 189 G HN 0.699 nan 8.290 nan 0.000 0.550 190 G N 0.232 109.013 108.800 -0.031 0.000 2.459 190 G HA2 -0.223 3.729 3.960 -0.014 0.000 0.217 190 G HA3 -0.223 3.729 3.960 -0.014 0.000 0.217 190 G C 1.595 176.447 174.900 -0.080 0.000 1.183 190 G CA 1.083 46.126 45.100 -0.095 0.000 0.776 190 G HN 0.415 nan 8.290 nan 0.000 0.552 191 Y N 0.955 121.248 120.300 -0.012 0.000 2.224 191 Y HA -0.065 4.477 4.550 -0.014 0.000 0.289 191 Y C 3.147 179.006 175.900 -0.068 0.000 1.146 191 Y CA 1.005 59.047 58.100 -0.097 0.000 1.182 191 Y CB -0.507 37.846 38.460 -0.180 0.000 0.983 191 Y HN 0.139 nan 8.280 nan 0.000 0.524 192 Q N -0.076 119.772 119.800 0.079 0.000 2.046 192 Q HA -0.113 4.219 4.340 -0.014 0.000 0.200 192 Q C 2.631 178.672 176.000 0.068 0.000 0.975 192 Q CA 1.429 57.254 55.803 0.037 0.000 0.836 192 Q CB -0.906 27.820 28.738 -0.021 0.000 0.896 192 Q HN 0.495 nan 8.270 nan 0.000 0.428 193 A N 1.239 124.056 122.820 -0.004 0.000 1.877 193 A HA -0.114 4.198 4.320 -0.014 0.000 0.216 193 A C 2.365 180.000 177.584 0.085 0.000 1.186 193 A CA 2.128 54.136 52.037 -0.048 0.000 0.620 193 A CB -0.818 18.071 19.000 -0.185 0.000 0.822 193 A HN 0.368 nan 8.150 nan 0.000 0.443 194 A N -1.258 121.647 122.820 0.142 0.000 1.908 194 A HA -0.270 4.042 4.320 -0.014 0.000 0.218 194 A C 2.161 179.864 177.584 0.197 0.000 1.181 194 A CA 1.885 54.036 52.037 0.191 0.000 0.627 194 A CB -1.037 17.982 19.000 0.030 0.000 0.818 194 A HN 0.770 nan 8.150 nan 0.000 0.445 195 H N -0.166 118.981 119.070 0.128 0.000 2.353 195 H HA -0.102 4.445 4.556 -0.014 0.000 0.300 195 H C 1.625 177.099 175.328 0.244 0.000 1.090 195 H CA 1.791 57.955 56.048 0.193 0.000 1.327 195 H CB 0.022 29.827 29.762 0.072 0.000 1.383 195 H HN 0.418 nan 8.280 nan 0.000 0.508 196 N N 0.582 119.439 118.700 0.262 0.000 2.300 196 N HA -0.067 4.665 4.740 -0.014 0.000 0.179 196 N C 2.356 178.044 175.510 0.296 0.000 1.016 196 N CA 0.352 53.572 53.050 0.283 0.000 0.876 196 N CB -0.168 38.536 38.487 0.363 0.000 0.979 196 N HN 0.340 nan 8.380 nan 0.000 0.432 197 L N 0.701 121.998 121.223 0.122 0.000 2.046 197 L HA -0.077 4.255 4.340 -0.014 0.000 0.208 197 L C 2.127 179.005 176.870 0.013 0.000 1.077 197 L CA 0.880 55.608 54.840 -0.188 0.000 0.747 197 L CB -0.306 41.559 42.059 -0.324 0.000 0.896 197 L HN 0.087 nan 8.230 nan 0.000 0.432 198 I N -0.359 120.284 120.570 0.121 0.000 2.142 198 I HA -0.317 3.844 4.170 -0.014 0.000 0.240 198 I C 2.536 178.683 176.117 0.050 0.000 1.078 198 I CA 1.447 62.811 61.300 0.107 0.000 1.343 198 I CB -0.276 37.787 38.000 0.104 0.000 1.046 198 I HN 0.174 nan 8.210 nan 0.000 0.405 199 K N 0.859 121.278 120.400 0.031 0.000 2.032 199 K HA -0.190 4.122 4.320 -0.014 0.000 0.209 199 K C 2.252 178.921 176.600 0.114 0.000 1.048 199 K CA 1.695 57.997 56.287 0.025 0.000 0.927 199 K CB -0.339 32.177 32.500 0.027 0.000 0.712 199 K HN 0.337 nan 8.250 nan 0.000 0.441 200 A N 1.224 124.152 122.820 0.181 0.000 1.858 200 A HA -0.249 4.062 4.320 -0.014 0.000 0.216 200 A C 2.117 179.855 177.584 0.257 0.000 1.190 200 A CA 1.752 53.944 52.037 0.257 0.000 0.617 200 A CB -0.960 18.217 19.000 0.296 0.000 0.827 200 A HN 0.458 nan 8.150 nan 0.000 0.443 201 H N 0.194 119.301 119.070 0.062 0.000 2.289 201 H HA -0.179 4.369 4.556 -0.014 0.000 0.296 201 H C 2.269 177.696 175.328 0.165 0.000 1.091 201 H CA 2.164 58.284 56.048 0.120 0.000 1.274 201 H CB -0.315 29.444 29.762 -0.006 0.000 1.364 201 H HN 0.394 nan 8.280 nan 0.000 0.490 202 A N 1.888 124.660 122.820 -0.080 0.000 1.908 202 A HA -0.179 4.133 4.320 -0.014 0.000 0.218 202 A C 2.578 180.240 177.584 0.131 0.000 1.181 202 A CA 1.390 53.377 52.037 -0.083 0.000 0.627 202 A CB -0.425 18.557 19.000 -0.030 0.000 0.818 202 A HN 0.367 nan 8.150 nan 0.000 0.445 203 R N 0.368 120.974 120.500 0.176 0.000 2.073 203 R HA -0.124 4.208 4.340 -0.014 0.000 0.234 203 R C 2.683 179.125 176.300 0.236 0.000 1.134 203 R CA 1.801 58.041 56.100 0.234 0.000 0.952 203 R CB -1.177 29.245 30.300 0.204 0.000 0.850 203 R HN 0.759 nan 8.270 nan 0.000 0.433 204 S N -0.382 115.453 115.700 0.225 0.000 2.382 204 S HA -0.189 4.273 4.470 -0.014 0.000 0.228 204 S C 1.912 176.640 174.600 0.214 0.000 1.027 204 S CA 0.906 59.235 58.200 0.215 0.000 0.991 204 S CB -0.664 62.678 63.200 0.237 0.000 0.823 204 S HN 0.531 nan 8.310 nan 0.000 0.469 205 W N 2.618 123.836 121.300 -0.136 0.000 2.333 205 W HA -0.169 4.483 4.660 -0.013 0.000 0.316 205 W C 2.562 179.003 176.519 -0.130 0.000 1.215 205 W CA 2.098 59.311 57.345 -0.221 0.000 1.278 205 W CB -0.521 28.655 29.460 -0.473 0.000 1.154 205 W HN 0.379 nan 8.180 nan 0.000 0.486 206 H N -0.641 118.600 119.070 0.285 0.000 2.353 206 H HA -0.118 4.429 4.556 -0.014 0.000 0.300 206 H C 2.372 177.690 175.328 -0.017 0.000 1.090 206 H CA 1.941 58.070 56.048 0.135 0.000 1.327 206 H CB -0.863 29.013 29.762 0.190 0.000 1.383 206 H HN 0.139 nan 8.280 nan 0.000 0.508 207 S N 0.443 116.248 115.700 0.174 0.000 2.359 207 S HA -0.206 4.256 4.470 -0.014 0.000 0.224 207 S C 2.040 176.706 174.600 0.110 0.000 1.035 207 S CA 1.334 59.626 58.200 0.153 0.000 1.018 207 S CB -0.587 62.758 63.200 0.241 0.000 0.876 207 S HN 0.445 nan 8.310 nan 0.000 0.448 208 Y N 2.139 122.367 120.300 -0.120 0.000 2.097 208 Y HA -0.225 4.317 4.550 -0.014 0.000 0.282 208 Y C 2.242 177.888 175.900 -0.423 0.000 1.152 208 Y CA 1.982 59.816 58.100 -0.443 0.000 1.136 208 Y CB -0.670 37.226 38.460 -0.939 0.000 0.975 208 Y HN 0.253 nan 8.280 nan 0.000 0.498 209 D N -1.147 118.933 120.400 -0.534 0.000 2.117 209 D HA -0.170 4.462 4.640 -0.014 0.000 0.197 209 D C 2.108 178.180 176.300 -0.379 0.000 0.987 209 D CA 1.939 55.572 54.000 -0.612 0.000 0.829 209 D CB -0.120 40.097 40.800 -0.972 0.000 0.961 209 D HN 0.334 nan 8.370 nan 0.000 0.460 210 S N -1.018 114.525 115.700 -0.261 0.000 2.395 210 S HA 0.076 4.537 4.470 -0.014 0.000 0.225 210 S C 1.857 176.288 174.600 -0.283 0.000 1.027 210 S CA 0.459 58.542 58.200 -0.195 0.000 0.965 210 S CB 0.153 63.291 63.200 -0.102 0.000 0.812 210 S HN 0.273 nan 8.310 nan 0.000 0.482 211 L N -1.577 119.409 121.223 -0.395 0.000 2.609 211 L HA 0.341 4.673 4.340 -0.014 0.000 0.230 211 L C 1.099 177.392 176.870 -0.963 0.000 1.064 211 L CA 0.482 54.922 54.840 -0.667 0.000 0.873 211 L CB 0.168 41.741 42.059 -0.810 0.000 1.139 211 L HN 0.244 nan 8.230 nan 0.000 0.490 212 F N -1.424 118.215 119.950 -0.519 0.000 2.619 212 F HA 0.219 4.738 4.527 -0.014 0.000 0.281 212 F C 2.416 177.766 175.800 -0.750 0.000 1.065 212 F CA -0.184 57.426 58.000 -0.649 0.000 1.304 212 F CB -0.147 38.364 39.000 -0.815 0.000 1.059 212 F HN -0.249 nan 8.300 nan 0.000 0.648 213 R N 1.510 121.533 120.500 -0.794 0.000 2.096 213 R HA -0.223 4.109 4.340 -0.014 0.000 0.240 213 R C 2.286 178.439 176.300 -0.245 0.000 1.139 213 R CA 1.986 57.754 56.100 -0.554 0.000 0.952 213 R CB -0.245 29.806 30.300 -0.414 0.000 0.854 213 R HN 0.179 nan 8.270 nan 0.000 0.436 214 K N 0.330 120.597 120.400 -0.221 0.000 2.044 214 K HA -0.213 4.098 4.320 -0.014 0.000 0.210 214 K C 2.145 178.688 176.600 -0.094 0.000 1.049 214 K CA 1.616 57.822 56.287 -0.134 0.000 0.927 214 K CB -0.041 32.379 32.500 -0.133 0.000 0.713 214 K HN -0.000 nan 8.250 nan 0.000 0.443 215 K N 0.580 120.917 120.400 -0.104 0.000 2.098 215 K HA -0.069 4.243 4.320 -0.014 0.000 0.203 215 K C 2.016 178.609 176.600 -0.012 0.000 1.051 215 K CA 1.328 57.585 56.287 -0.050 0.000 0.957 215 K CB 0.160 32.634 32.500 -0.043 0.000 0.738 215 K HN 0.310 nan 8.250 nan 0.000 0.447 216 Q N 0.177 119.970 119.800 -0.013 0.000 2.250 216 Q HA 0.033 4.365 4.340 -0.014 0.000 0.200 216 Q C -0.220 175.836 176.000 0.093 0.000 0.941 216 Q CA 0.299 56.142 55.803 0.066 0.000 0.872 216 Q CB 0.345 29.159 28.738 0.126 0.000 0.965 216 Q HN 0.172 nan 8.270 nan 0.000 0.480 217 K N -0.274 120.162 120.400 0.061 0.000 3.117 217 K HA -0.168 4.143 4.320 -0.014 0.000 0.269 217 K C 0.076 176.762 176.600 0.142 0.000 1.098 217 K CA 0.232 56.566 56.287 0.078 0.000 0.785 217 K CB -1.952 30.577 32.500 0.049 0.000 1.242 217 K HN 0.367 nan 8.250 nan 0.000 0.491 218 G N 0.665 109.628 108.800 0.271 0.000 2.671 218 G HA2 0.833 4.785 3.960 -0.014 0.000 0.275 218 G HA3 0.833 4.785 3.960 -0.014 0.000 0.275 218 G C -0.150 174.878 174.900 0.213 0.000 1.368 218 G CA -0.674 44.575 45.100 0.248 0.000 1.044 218 G HN 0.194 nan 8.290 nan 0.000 0.543 219 M N -1.435 118.231 119.600 0.110 0.000 2.550 219 M HA 0.768 5.239 4.480 -0.014 0.000 0.292 219 M C -1.851 174.562 176.300 0.187 0.000 1.221 219 M CA -0.955 54.425 55.300 0.133 0.000 0.873 219 M CB 2.440 35.171 32.600 0.219 0.000 1.727 219 M HN 0.246 nan 8.290 nan 0.000 0.459 220 V N 1.118 121.121 119.914 0.148 0.000 2.638 220 V HA 0.777 4.889 4.120 -0.014 0.000 0.306 220 V C -0.668 175.450 176.094 0.040 0.000 1.052 220 V CA -0.189 62.169 62.300 0.096 0.000 0.885 220 V CB 1.818 33.521 31.823 -0.201 0.000 0.999 220 V HN 1.044 nan 8.190 nan 0.000 0.424 221 S N 3.806 119.400 115.700 -0.177 0.000 2.840 221 S HA 0.871 5.333 4.470 -0.014 0.000 0.307 221 S C -1.522 172.928 174.600 -0.251 0.000 1.180 221 S CA -0.611 57.315 58.200 -0.457 0.000 0.846 221 S CB 1.804 64.177 63.200 -1.379 0.000 1.233 221 S HN 0.850 nan 8.310 nan 0.000 0.548 222 L N 0.657 121.596 121.223 -0.474 0.000 2.371 222 L HA 0.932 5.264 4.340 -0.014 0.000 0.262 222 L C -0.550 176.107 176.870 -0.355 0.000 1.006 222 L CA -0.806 53.803 54.840 -0.386 0.000 0.818 222 L CB 2.024 43.724 42.059 -0.599 0.000 1.354 222 L HN 0.657 nan 8.230 nan 0.000 0.415 223 S N 2.038 117.590 115.700 -0.246 0.000 2.541 223 S HA 0.778 5.240 4.470 -0.014 0.000 0.283 223 S C -0.618 173.855 174.600 -0.213 0.000 1.196 223 S CA -0.711 57.374 58.200 -0.192 0.000 1.062 223 S CB 1.309 64.453 63.200 -0.093 0.000 1.009 223 S HN 0.640 nan 8.310 nan 0.000 0.502 224 L N 3.001 124.128 121.223 -0.160 0.000 2.381 224 L HA 0.522 4.854 4.340 -0.014 0.000 0.274 224 L C -0.547 176.363 176.870 0.065 0.000 0.988 224 L CA -0.887 53.885 54.840 -0.113 0.000 0.824 224 L CB 1.598 43.557 42.059 -0.167 0.000 1.263 224 L HN 0.791 nan 8.230 nan 0.000 0.410 225 F N 3.284 123.205 119.950 -0.048 0.000 2.484 225 F HA 0.517 5.035 4.527 -0.014 0.000 0.360 225 F C 0.196 176.085 175.800 0.148 0.000 1.101 225 F CA -0.190 57.842 58.000 0.054 0.000 1.251 225 F CB 0.805 39.801 39.000 -0.006 0.000 1.132 225 F HN 0.483 nan 8.300 nan 0.000 0.570 226 A N 6.076 128.677 122.820 -0.366 0.000 2.375 226 A HA 0.651 4.963 4.320 -0.014 0.000 0.295 226 A C -1.705 175.756 177.584 -0.206 0.000 1.066 226 A CA -0.670 51.339 52.037 -0.046 0.000 0.722 226 A CB 1.092 20.179 19.000 0.145 0.000 1.206 226 A HN 0.573 nan 8.150 nan 0.000 0.435 227 V N 3.568 123.471 119.914 -0.018 0.000 2.370 227 V HA 0.261 4.373 4.120 -0.014 0.000 0.279 227 V C 0.118 176.283 176.094 0.117 0.000 1.029 227 V CA -0.689 61.544 62.300 -0.111 0.000 0.870 227 V CB 1.260 32.899 31.823 -0.307 0.000 0.984 227 V HN 0.908 nan 8.190 nan 0.000 0.451 228 W N 6.512 127.867 121.300 0.092 0.000 2.190 228 W HA 0.520 5.173 4.660 -0.013 0.000 0.330 228 W C -1.451 175.067 176.519 -0.003 0.000 1.299 228 W CA -0.369 57.002 57.345 0.043 0.000 1.215 228 W CB 0.795 30.263 29.460 0.013 0.000 1.147 228 W HN 0.421 nan 8.180 nan 0.000 0.563 229 L N 5.567 126.042 121.223 -1.247 0.000 2.410 229 L HA 0.338 4.670 4.340 -0.014 0.000 0.270 229 L C -0.208 176.233 176.870 -0.715 0.000 0.983 229 L CA -0.836 53.561 54.840 -0.738 0.000 0.822 229 L CB 2.144 43.902 42.059 -0.501 0.000 1.285 229 L HN 0.312 nan 8.230 nan 0.000 0.409 230 E N 3.434 123.497 120.200 -0.228 0.000 2.256 230 E HA 0.451 4.793 4.350 -0.014 0.000 0.267 230 E C -2.581 174.007 176.600 -0.021 0.000 0.892 230 E CA -1.924 54.475 56.400 -0.001 0.000 0.775 230 E CB 2.537 32.413 29.700 0.293 0.000 1.207 230 E HN 0.215 nan 8.360 nan 0.000 0.420 231 P HA 0.005 nan 4.420 nan 0.000 0.268 231 P C 0.131 177.442 177.300 0.018 0.000 1.204 231 P CA 0.216 63.319 63.100 0.005 0.000 0.768 231 P CB 0.859 32.577 31.700 0.030 0.000 0.842 232 A N 3.186 126.007 122.820 0.002 0.000 1.877 232 A HA -0.127 4.185 4.320 -0.014 0.000 0.216 232 A C 1.067 178.704 177.584 0.089 0.000 1.186 232 A CA 1.531 53.597 52.037 0.049 0.000 0.620 232 A CB -0.783 18.325 19.000 0.181 0.000 0.822 232 A HN 0.554 nan 8.150 nan 0.000 0.443 233 D N -0.812 119.637 120.400 0.082 0.000 2.412 233 D HA 0.281 4.913 4.640 -0.014 0.000 0.224 233 D C -1.867 174.464 176.300 0.051 0.000 1.093 233 D CA -2.396 51.642 54.000 0.064 0.000 0.850 233 D CB 1.300 42.137 40.800 0.061 0.000 1.046 233 D HN 0.061 nan 8.370 nan 0.000 0.507 234 P HA -0.091 nan 4.420 nan 0.000 0.225 234 P C 0.173 177.495 177.300 0.036 0.000 1.148 234 P CA 0.880 64.009 63.100 0.047 0.000 0.779 234 P CB 0.359 32.087 31.700 0.046 0.000 0.780 235 N N -1.095 117.623 118.700 0.031 0.000 2.325 235 N HA -0.004 4.727 4.740 -0.014 0.000 0.182 235 N C 0.532 176.054 175.510 0.020 0.000 1.088 235 N CA -0.058 53.005 53.050 0.023 0.000 0.879 235 N CB 0.025 38.523 38.487 0.019 0.000 0.983 235 N HN -0.035 nan 8.380 nan 0.000 0.471 236 S N 0.528 116.243 115.700 0.025 0.000 2.455 236 S HA 0.123 4.585 4.470 -0.014 0.000 0.278 236 S C 1.419 176.025 174.600 0.010 0.000 1.216 236 S CA -0.555 57.656 58.200 0.020 0.000 1.055 236 S CB 0.529 63.749 63.200 0.034 0.000 0.939 236 S HN -0.032 nan 8.310 nan 0.000 0.494 237 V N 5.522 125.432 119.914 -0.006 0.000 2.332 237 V HA -0.175 3.937 4.120 -0.014 0.000 0.248 237 V C 2.695 178.765 176.094 -0.041 0.000 1.055 237 V CA 2.424 64.713 62.300 -0.019 0.000 1.038 237 V CB -1.129 30.678 31.823 -0.027 0.000 0.651 237 V HN 1.033 nan 8.190 nan 0.000 0.450 238 S N -0.167 115.489 115.700 -0.073 0.000 2.382 238 S HA -0.249 4.213 4.470 -0.014 0.000 0.228 238 S C 1.655 176.236 174.600 -0.031 0.000 1.027 238 S CA 1.690 59.804 58.200 -0.142 0.000 0.991 238 S CB -0.552 62.489 63.200 -0.265 0.000 0.823 238 S HN 0.568 nan 8.310 nan 0.000 0.469 239 D N 1.620 122.035 120.400 0.025 0.000 2.117 239 D HA -0.037 4.595 4.640 -0.014 0.000 0.198 239 D C 2.338 178.653 176.300 0.025 0.000 0.982 239 D CA 1.225 55.256 54.000 0.053 0.000 0.828 239 D CB -0.489 40.347 40.800 0.059 0.000 0.967 239 D HN 0.560 nan 8.370 nan 0.000 0.464 240 Q N 0.262 120.072 119.800 0.016 0.000 2.061 240 Q HA -0.173 4.159 4.340 -0.014 0.000 0.204 240 Q C 2.068 178.074 176.000 0.009 0.000 0.984 240 Q CA 1.295 57.108 55.803 0.015 0.000 0.846 240 Q CB -0.060 28.689 28.738 0.020 0.000 0.902 240 Q HN 0.384 nan 8.270 nan 0.000 0.421 241 E N -0.130 120.071 120.200 0.002 0.000 2.150 241 E HA -0.149 4.193 4.350 -0.014 0.000 0.193 241 E C 1.853 178.469 176.600 0.025 0.000 0.985 241 E CA 0.798 57.202 56.400 0.007 0.000 0.814 241 E CB -0.039 29.648 29.700 -0.022 0.000 0.752 241 E HN 0.362 nan 8.360 nan 0.000 0.466 242 A N 1.201 124.042 122.820 0.035 0.000 1.897 242 A HA -0.042 4.269 4.320 -0.014 0.000 0.215 242 A C 2.344 179.938 177.584 0.016 0.000 1.181 242 A CA 1.432 53.508 52.037 0.066 0.000 0.620 242 A CB -0.528 18.550 19.000 0.131 0.000 0.821 242 A HN 0.292 nan 8.150 nan 0.000 0.443 243 A N -0.050 122.756 122.820 -0.024 0.000 1.877 243 A HA -0.173 4.139 4.320 -0.014 0.000 0.216 243 A C 2.116 179.630 177.584 -0.117 0.000 1.186 243 A CA 1.862 53.839 52.037 -0.101 0.000 0.620 243 A CB -0.475 18.445 19.000 -0.133 0.000 0.822 243 A HN 0.513 nan 8.150 nan 0.000 0.443 244 K N -0.978 119.386 120.400 -0.061 0.000 2.032 244 K HA -0.185 4.126 4.320 -0.014 0.000 0.209 244 K C 2.404 179.025 176.600 0.035 0.000 1.048 244 K CA 1.747 58.019 56.287 -0.026 0.000 0.927 244 K CB -0.174 32.348 32.500 0.037 0.000 0.712 244 K HN 0.459 nan 8.250 nan 0.000 0.441 245 R N 0.331 120.880 120.500 0.081 0.000 2.115 245 R HA -0.064 4.268 4.340 -0.014 0.000 0.226 245 R C 2.120 178.570 176.300 0.250 0.000 1.100 245 R CA 1.141 57.351 56.100 0.184 0.000 0.980 245 R CB -0.092 30.317 30.300 0.183 0.000 0.875 245 R HN 0.179 nan 8.270 nan 0.000 0.445 246 A N 0.823 123.716 122.820 0.121 0.000 1.969 246 A HA -0.100 4.212 4.320 -0.014 0.000 0.218 246 A C 2.048 179.785 177.584 0.254 0.000 1.169 246 A CA 1.083 53.195 52.037 0.126 0.000 0.635 246 A CB -0.367 18.627 19.000 -0.009 0.000 0.810 246 A HN 0.324 nan 8.150 nan 0.000 0.445 247 I N -0.506 120.127 120.570 0.105 0.000 2.252 247 I HA -0.211 3.951 4.170 -0.014 0.000 0.245 247 I C 2.550 178.696 176.117 0.047 0.000 1.102 247 I CA 1.703 63.024 61.300 0.035 0.000 1.385 247 I CB -0.613 37.200 38.000 -0.311 0.000 1.064 247 I HN 0.235 nan 8.210 nan 0.000 0.414 248 T N 0.730 115.364 114.554 0.134 0.000 2.746 248 T HA -0.172 4.169 4.350 -0.014 0.000 0.267 248 T C 1.695 176.484 174.700 0.149 0.000 1.039 248 T CA 1.548 63.742 62.100 0.157 0.000 1.142 248 T CB -0.387 68.572 68.868 0.152 0.000 0.866 248 T HN 0.129 nan 8.240 nan 0.000 0.444 249 F N 1.303 121.320 119.950 0.113 0.000 2.146 249 F HA -0.104 4.416 4.527 -0.012 0.000 0.298 249 F C 2.625 178.542 175.800 0.195 0.000 1.096 249 F CA 1.473 59.555 58.000 0.137 0.000 1.275 249 F CB -0.243 38.835 39.000 0.129 0.000 1.008 249 F HN 0.417 nan 8.300 nan 0.000 0.480 250 H N -1.590 117.654 119.070 0.290 0.000 2.520 250 H HA 0.077 4.625 4.556 -0.013 0.000 0.279 250 H C 1.719 177.211 175.328 0.273 0.000 0.990 250 H CA 1.240 57.434 56.048 0.244 0.000 1.288 250 H CB -0.302 29.543 29.762 0.138 0.000 1.446 250 H HN 0.377 nan 8.280 nan 0.000 0.538 251 L N 1.066 122.108 121.223 -0.302 0.000 2.519 251 L HA 0.175 4.507 4.340 -0.014 0.000 0.194 251 L C 1.495 178.465 176.870 0.167 0.000 1.072 251 L CA 0.930 55.688 54.840 -0.136 0.000 0.845 251 L CB 0.107 41.987 42.059 -0.299 0.000 1.138 251 L HN -0.100 nan 8.230 nan 0.000 0.487 252 D N 0.196 120.716 120.400 0.199 0.000 2.269 252 D HA -0.144 4.488 4.640 -0.014 0.000 0.208 252 D C 2.210 178.654 176.300 0.240 0.000 0.963 252 D CA 1.116 55.304 54.000 0.312 0.000 0.864 252 D CB -0.049 40.940 40.800 0.314 0.000 0.936 252 D HN 0.358 nan 8.370 nan 0.000 0.505 253 L N -0.371 120.952 121.223 0.167 0.000 2.081 253 L HA -0.242 4.090 4.340 -0.014 0.000 0.212 253 L C 1.919 178.835 176.870 0.078 0.000 1.080 253 L CA 1.442 56.333 54.840 0.085 0.000 0.754 253 L CB -0.138 41.893 42.059 -0.047 0.000 0.893 253 L HN -0.096 nan 8.230 nan 0.000 0.433 254 F N -1.059 118.987 119.950 0.159 0.000 2.262 254 F HA 0.080 4.598 4.527 -0.014 0.000 0.292 254 F C 2.473 178.321 175.800 0.079 0.000 1.081 254 F CA 0.826 58.889 58.000 0.105 0.000 1.355 254 F CB -0.615 38.397 39.000 0.020 0.000 1.069 254 F HN 0.061 nan 8.300 nan 0.000 0.506 255 A N -0.101 122.885 122.820 0.276 0.000 1.970 255 A HA -0.125 4.186 4.320 -0.014 0.000 0.216 255 A C 2.153 179.960 177.584 0.372 0.000 1.170 255 A CA 1.321 53.468 52.037 0.183 0.000 0.645 255 A CB -0.596 18.288 19.000 -0.193 0.000 0.816 255 A HN 0.294 nan 8.150 nan 0.000 0.447 256 K N 0.034 120.674 120.400 0.399 0.000 2.009 256 K HA -0.126 4.185 4.320 -0.014 0.000 0.210 256 K C -0.832 175.877 176.600 0.181 0.000 1.049 256 K CA 1.739 58.235 56.287 0.348 0.000 0.929 256 K CB -0.807 31.833 32.500 0.233 0.000 0.714 256 K HN 0.341 nan 8.250 nan 0.000 0.440 257 P HA -0.165 nan 4.420 nan 0.000 0.215 257 P C 1.418 178.642 177.300 -0.127 0.000 1.153 257 P CA 1.528 64.564 63.100 -0.106 0.000 0.853 257 P CB -0.071 31.470 31.700 -0.265 0.000 0.788 258 I N -2.470 118.053 120.570 -0.078 0.000 2.286 258 I HA -0.158 4.004 4.170 -0.014 0.000 0.245 258 I C 2.167 178.089 176.117 -0.326 0.000 1.104 258 I CA 1.411 62.570 61.300 -0.235 0.000 1.397 258 I CB -0.449 37.392 38.000 -0.265 0.000 1.072 258 I HN -0.204 nan 8.210 nan 0.000 0.417 259 F N -0.610 119.293 119.950 -0.078 0.000 2.582 259 F HA 0.098 4.617 4.527 -0.014 0.000 0.290 259 F C 1.945 177.779 175.800 0.056 0.000 1.115 259 F CA 0.363 58.363 58.000 0.001 0.000 1.445 259 F CB 0.226 39.301 39.000 0.125 0.000 1.126 259 F HN -0.116 nan 8.300 nan 0.000 0.574 260 I N -0.245 120.464 120.570 0.231 0.000 3.393 260 I HA 0.062 4.224 4.170 -0.014 0.000 0.250 260 I C 0.730 176.868 176.117 0.035 0.000 1.122 260 I CA 0.864 62.248 61.300 0.140 0.000 1.484 260 I CB -0.817 37.269 38.000 0.144 0.000 1.468 260 I HN 0.096 nan 8.210 nan 0.000 0.461 261 D N -0.783 119.619 120.400 0.003 0.000 2.583 261 D HA 0.194 4.826 4.640 -0.014 0.000 0.282 261 D C 1.222 177.472 176.300 -0.083 0.000 1.485 261 D CA 0.553 54.532 54.000 -0.034 0.000 0.834 261 D CB 0.005 40.798 40.800 -0.011 0.000 1.258 261 D HN 0.405 nan 8.370 nan 0.000 0.470 262 G N 0.189 108.904 108.800 -0.142 0.000 2.168 262 G HA2 -0.261 3.690 3.960 -0.014 0.000 0.263 262 G HA3 -0.261 3.690 3.960 -0.014 0.000 0.263 262 G C -0.234 174.476 174.900 -0.316 0.000 0.977 262 G CA 0.558 45.490 45.100 -0.279 0.000 0.659 262 G HN 0.660 nan 8.290 nan 0.000 0.533 263 D N -1.389 118.934 120.400 -0.129 0.000 2.490 263 D HA 0.593 5.225 4.640 -0.014 0.000 0.232 263 D C 0.280 176.586 176.300 0.011 0.000 1.053 263 D CA -0.826 53.169 54.000 -0.008 0.000 0.914 263 D CB 0.706 41.539 40.800 0.055 0.000 1.431 263 D HN 0.004 nan 8.370 nan 0.000 0.483 264 Y N 0.623 121.035 120.300 0.187 0.000 2.511 264 Y HA 0.223 4.765 4.550 -0.013 0.000 0.347 264 Y C -1.469 174.427 175.900 -0.008 0.000 1.257 264 Y CA -1.397 56.728 58.100 0.042 0.000 1.469 264 Y CB -0.406 38.007 38.460 -0.078 0.000 1.353 264 Y HN 0.179 nan 8.280 nan 0.000 0.617 265 P HA -0.015 nan 4.420 nan 0.000 0.266 265 P C 0.313 177.616 177.300 0.004 0.000 1.195 265 P CA 0.135 63.263 63.100 0.047 0.000 0.768 265 P CB 0.734 32.437 31.700 0.005 0.000 0.838 266 E N 1.772 121.980 120.200 0.013 0.000 2.153 266 E HA -0.109 4.233 4.350 -0.014 0.000 0.194 266 E C 1.772 178.363 176.600 -0.015 0.000 0.988 266 E CA 0.918 57.321 56.400 0.004 0.000 0.811 266 E CB -0.641 29.068 29.700 0.014 0.000 0.746 266 E HN 0.207 nan 8.360 nan 0.000 0.466 267 V N 0.645 120.554 119.914 -0.009 0.000 2.626 267 V HA -0.165 3.947 4.120 -0.014 0.000 0.252 267 V C 2.198 178.272 176.094 -0.033 0.000 1.067 267 V CA 0.946 63.259 62.300 0.021 0.000 1.081 267 V CB -0.023 31.849 31.823 0.082 0.000 0.686 267 V HN 0.025 nan 8.190 nan 0.000 0.468 268 V N 0.044 119.814 119.914 -0.239 0.000 2.323 268 V HA -0.212 3.900 4.120 -0.014 0.000 0.244 268 V C 2.504 178.396 176.094 -0.336 0.000 1.041 268 V CA 2.271 64.227 62.300 -0.573 0.000 1.025 268 V CB -0.695 30.665 31.823 -0.771 0.000 0.656 268 V HN 0.514 nan 8.190 nan 0.000 0.451 269 K N 0.897 121.164 120.400 -0.222 0.000 2.057 269 K HA -0.167 4.144 4.320 -0.014 0.000 0.207 269 K C 2.415 178.950 176.600 -0.109 0.000 1.049 269 K CA 1.893 58.078 56.287 -0.169 0.000 0.931 269 K CB -0.385 32.072 32.500 -0.071 0.000 0.714 269 K HN 0.635 nan 8.250 nan 0.000 0.440 270 S N 0.878 116.546 115.700 -0.053 0.000 2.395 270 S HA -0.086 4.376 4.470 -0.014 0.000 0.225 270 S C 2.004 176.610 174.600 0.011 0.000 1.027 270 S CA 0.473 58.664 58.200 -0.015 0.000 0.965 270 S CB -0.046 63.158 63.200 0.007 0.000 0.812 270 S HN 0.195 nan 8.310 nan 0.000 0.482 271 Q N 0.949 120.780 119.800 0.051 0.000 2.079 271 Q HA 0.097 4.429 4.340 -0.014 0.000 0.200 271 Q C 2.338 178.380 176.000 0.070 0.000 0.974 271 Q CA 1.343 57.214 55.803 0.113 0.000 0.840 271 Q CB -0.362 28.544 28.738 0.281 0.000 0.898 271 Q HN 0.634 nan 8.270 nan 0.000 0.430 272 I N 0.590 121.164 120.570 0.008 0.000 2.353 272 I HA -0.178 3.984 4.170 -0.014 0.000 0.248 272 I C 2.421 178.479 176.117 -0.099 0.000 1.119 272 I CA 0.805 62.056 61.300 -0.082 0.000 1.417 272 I CB -0.380 37.435 38.000 -0.308 0.000 1.078 272 I HN 0.036 nan 8.210 nan 0.000 0.421 273 A N -0.134 122.627 122.820 -0.098 0.000 1.933 273 A HA -0.236 4.075 4.320 -0.014 0.000 0.218 273 A C 2.490 180.060 177.584 -0.023 0.000 1.175 273 A CA 2.277 54.272 52.037 -0.072 0.000 0.628 273 A CB -0.726 18.236 19.000 -0.063 0.000 0.814 273 A HN 0.399 nan 8.150 nan 0.000 0.444 274 S N -0.887 114.810 115.700 -0.004 0.000 2.345 274 S HA -0.130 4.332 4.470 -0.014 0.000 0.219 274 S C 2.167 176.786 174.600 0.031 0.000 1.031 274 S CA 1.638 59.848 58.200 0.018 0.000 0.984 274 S CB -0.388 62.828 63.200 0.026 0.000 0.874 274 S HN 0.445 nan 8.310 nan 0.000 0.451 275 M N 1.298 120.918 119.600 0.034 0.000 2.108 275 M HA -0.033 4.438 4.480 -0.014 0.000 0.261 275 M C 2.414 178.761 176.300 0.079 0.000 1.066 275 M CA 1.307 56.638 55.300 0.052 0.000 1.107 275 M CB -1.931 30.700 32.600 0.051 0.000 1.356 275 M HN 0.270 nan 8.290 nan 0.000 0.406 276 S N 0.265 115.993 115.700 0.047 0.000 2.370 276 S HA -0.174 4.288 4.470 -0.014 0.000 0.226 276 S C 1.975 176.688 174.600 0.189 0.000 1.033 276 S CA 1.180 59.433 58.200 0.087 0.000 1.011 276 S CB -0.292 62.864 63.200 -0.074 0.000 0.852 276 S HN 0.487 nan 8.310 nan 0.000 0.457 277 Q N 0.812 120.669 119.800 0.096 0.000 2.046 277 Q HA -0.063 4.268 4.340 -0.014 0.000 0.200 277 Q C 2.000 178.045 176.000 0.075 0.000 0.975 277 Q CA 1.138 56.989 55.803 0.080 0.000 0.836 277 Q CB -0.092 28.672 28.738 0.043 0.000 0.896 277 Q HN 0.447 nan 8.270 nan 0.000 0.428 278 K N 0.121 120.562 120.400 0.068 0.000 2.211 278 K HA -0.177 4.135 4.320 -0.014 0.000 0.204 278 K C 1.881 178.518 176.600 0.061 0.000 1.047 278 K CA 1.200 57.519 56.287 0.054 0.000 0.935 278 K CB 0.056 32.585 32.500 0.048 0.000 0.728 278 K HN 0.233 nan 8.250 nan 0.000 0.452 279 Q N -0.991 118.876 119.800 0.111 0.000 2.444 279 Q HA 0.051 4.383 4.340 -0.014 0.000 0.206 279 Q C 0.712 176.700 176.000 -0.020 0.000 0.948 279 Q CA 0.497 56.362 55.803 0.103 0.000 0.946 279 Q CB 0.806 29.710 28.738 0.277 0.000 1.027 279 Q HN 0.496 nan 8.270 nan 0.000 0.513 280 G N -0.171 108.631 108.800 0.004 0.000 2.141 280 G HA2 -0.294 3.657 3.960 -0.014 0.000 0.242 280 G HA3 -0.294 3.657 3.960 -0.014 0.000 0.242 280 G C -0.432 174.399 174.900 -0.116 0.000 0.982 280 G CA -0.353 44.705 45.100 -0.070 0.000 0.662 280 G HN 0.310 nan 8.290 nan 0.000 0.527 281 Y N 0.431 120.729 120.300 -0.002 0.000 2.425 281 Y HA 0.373 4.914 4.550 -0.014 0.000 0.331 281 Y C -0.230 175.663 175.900 -0.013 0.000 1.157 281 Y CA -1.093 57.003 58.100 -0.008 0.000 1.372 281 Y CB 0.817 39.272 38.460 -0.008 0.000 1.253 281 Y HN 0.025 nan 8.280 nan 0.000 0.536 282 P HA 0.002 nan 4.420 nan 0.000 0.241 282 P C -0.152 177.182 177.300 0.057 0.000 1.191 282 P CA 0.625 63.765 63.100 0.067 0.000 0.771 282 P CB 0.736 32.460 31.700 0.039 0.000 0.929 283 S N -1.302 114.443 115.700 0.075 0.000 2.556 283 S HA 0.417 4.878 4.470 -0.014 0.000 0.271 283 S C -0.697 173.886 174.600 -0.028 0.000 1.135 283 S CA -0.485 57.721 58.200 0.011 0.000 0.858 283 S CB 1.517 64.711 63.200 -0.011 0.000 1.114 283 S HN -0.012 nan 8.310 nan 0.000 0.468 284 S N 1.309 116.958 115.700 -0.086 0.000 2.568 284 S HA 0.190 4.652 4.470 -0.014 0.000 0.282 284 S C 1.294 175.748 174.600 -0.243 0.000 1.338 284 S CA 0.021 58.124 58.200 -0.161 0.000 1.045 284 S CB 0.304 63.400 63.200 -0.174 0.000 0.873 284 S HN 0.715 nan 8.310 nan 0.000 0.516 285 R N 1.371 121.672 120.500 -0.332 0.000 2.237 285 R HA 0.035 4.367 4.340 -0.014 0.000 0.219 285 R C 0.242 176.382 176.300 -0.266 0.000 1.080 285 R CA 0.385 56.293 56.100 -0.319 0.000 0.995 285 R CB -0.214 29.902 30.300 -0.306 0.000 0.875 285 R HN 0.491 nan 8.270 nan 0.000 0.462 286 L N 2.777 123.739 121.223 -0.436 0.000 2.283 286 L HA 0.270 4.602 4.340 -0.014 0.000 0.287 286 L C -2.322 174.306 176.870 -0.403 0.000 1.073 286 L CA -2.374 52.126 54.840 -0.566 0.000 0.822 286 L CB 0.745 42.323 42.059 -0.801 0.000 1.186 286 L HN -0.182 nan 8.230 nan 0.000 0.436 287 P HA 0.092 nan 4.420 nan 0.000 0.268 287 P C -0.924 176.137 177.300 -0.398 0.000 1.205 287 P CA -0.106 62.709 63.100 -0.475 0.000 0.771 287 P CB 0.510 31.700 31.700 -0.851 0.000 0.858 288 E N 1.227 121.269 120.200 -0.264 0.000 2.343 288 E HA 0.280 4.621 4.350 -0.014 0.000 0.269 288 E C -0.438 176.126 176.600 -0.060 0.000 1.047 288 E CA -0.428 55.893 56.400 -0.131 0.000 0.874 288 E CB 0.316 29.988 29.700 -0.047 0.000 1.033 288 E HN 0.302 nan 8.360 nan 0.000 0.409 289 F N 1.288 121.330 119.950 0.155 0.000 2.412 289 F HA 0.095 4.614 4.527 -0.014 0.000 0.348 289 F C 1.348 177.174 175.800 0.042 0.000 1.102 289 F CA -0.784 57.271 58.000 0.092 0.000 1.196 289 F CB 0.675 39.630 39.000 -0.075 0.000 1.144 289 F HN 0.300 nan 8.300 nan 0.000 0.541 290 T N -0.715 113.984 114.554 0.241 0.000 2.766 290 T HA 0.096 4.437 4.350 -0.014 0.000 0.295 290 T C 1.120 175.877 174.700 0.094 0.000 1.024 290 T CA -0.716 61.460 62.100 0.127 0.000 1.018 290 T CB 0.838 69.762 68.868 0.093 0.000 1.002 290 T HN 0.545 nan 8.240 nan 0.000 0.532 291 E N 1.168 121.400 120.200 0.054 0.000 2.077 291 E HA -0.109 4.233 4.350 -0.014 0.000 0.193 291 E C 2.715 179.319 176.600 0.005 0.000 0.989 291 E CA 1.881 58.297 56.400 0.026 0.000 0.800 291 E CB -0.993 28.718 29.700 0.018 0.000 0.746 291 E HN 0.966 nan 8.360 nan 0.000 0.452 292 E N 1.672 121.877 120.200 0.008 0.000 2.077 292 E HA -0.213 4.129 4.350 -0.014 0.000 0.193 292 E C 1.865 178.447 176.600 -0.031 0.000 0.989 292 E CA 1.492 57.886 56.400 -0.011 0.000 0.800 292 E CB -0.664 29.034 29.700 -0.004 0.000 0.746 292 E HN 0.463 nan 8.360 nan 0.000 0.452 293 E N -0.063 120.131 120.200 -0.010 0.000 2.077 293 E HA -0.146 4.196 4.350 -0.014 0.000 0.193 293 E C 2.378 178.872 176.600 -0.176 0.000 0.989 293 E CA 1.259 57.627 56.400 -0.055 0.000 0.800 293 E CB -0.092 29.641 29.700 0.054 0.000 0.746 293 E HN 0.459 nan 8.360 nan 0.000 0.452 294 K N 0.546 120.868 120.400 -0.131 0.000 2.103 294 K HA -0.149 4.163 4.320 -0.014 0.000 0.207 294 K C 2.317 178.824 176.600 -0.155 0.000 1.048 294 K CA 1.122 57.297 56.287 -0.187 0.000 0.930 294 K CB 0.001 32.456 32.500 -0.076 0.000 0.716 294 K HN -0.161 nan 8.250 nan 0.000 0.444 295 K N 0.378 120.720 120.400 -0.097 0.000 2.155 295 K HA 0.028 4.340 4.320 -0.014 0.000 0.203 295 K C 1.931 178.491 176.600 -0.066 0.000 1.052 295 K CA 0.968 57.213 56.287 -0.071 0.000 0.948 295 K CB -0.166 32.306 32.500 -0.048 0.000 0.728 295 K HN 0.286 nan 8.250 nan 0.000 0.448 296 M N -0.219 119.330 119.600 -0.085 0.000 2.236 296 M HA 0.069 4.541 4.480 -0.014 0.000 0.266 296 M C 1.825 178.149 176.300 0.039 0.000 1.070 296 M CA 1.688 56.959 55.300 -0.049 0.000 1.137 296 M CB -0.290 32.247 32.600 -0.105 0.000 1.378 296 M HN 0.191 nan 8.290 nan 0.000 0.426 297 I N 0.104 120.583 120.570 -0.152 0.000 2.406 297 I HA -0.132 4.030 4.170 -0.014 0.000 0.249 297 I C 1.285 177.237 176.117 -0.275 0.000 1.122 297 I CA 0.324 61.472 61.300 -0.253 0.000 1.431 297 I CB -0.305 37.399 38.000 -0.494 0.000 1.087 297 I HN 0.181 nan 8.210 nan 0.000 0.424 298 K N 2.072 122.334 120.400 -0.230 0.000 2.472 298 K HA 0.073 4.385 4.320 -0.014 0.000 0.280 298 K C 0.700 177.116 176.600 -0.307 0.000 1.028 298 K CA 0.909 57.064 56.287 -0.220 0.000 1.045 298 K CB 0.149 32.565 32.500 -0.140 0.000 0.902 298 K HN 0.379 nan 8.250 nan 0.000 0.478 299 G N 3.262 111.833 108.800 -0.382 0.000 2.212 299 G HA2 -0.228 3.724 3.960 -0.014 0.000 0.255 299 G HA3 -0.228 3.724 3.960 -0.014 0.000 0.255 299 G C 0.179 174.439 174.900 -1.067 0.000 1.062 299 G CA 0.473 45.258 45.100 -0.525 0.000 0.815 299 G HN 0.787 nan 8.290 nan 0.000 0.497 300 T N -3.305 110.561 114.554 -1.147 0.000 3.258 300 T HA 0.737 5.079 4.350 -0.014 0.000 0.259 300 T C 0.369 174.288 174.700 -1.302 0.000 0.963 300 T CA 0.707 61.738 62.100 -1.782 0.000 0.919 300 T CB 1.100 69.366 68.868 -1.003 0.000 1.110 300 T HN 1.817 nan 8.240 nan 0.000 0.550 301 A N 0.366 122.555 122.820 -1.053 0.000 2.437 301 A HA 0.614 4.926 4.320 -0.014 0.000 0.293 301 A C -0.062 177.340 177.584 -0.302 0.000 1.038 301 A CA -0.738 50.898 52.037 -0.667 0.000 0.708 301 A CB 1.223 19.450 19.000 -1.288 0.000 1.251 301 A HN 0.150 nan 8.150 nan 0.000 0.409 302 D N 0.765 121.174 120.400 0.014 0.000 2.348 302 D HA 0.250 4.882 4.640 -0.014 0.000 0.211 302 D C 0.030 176.537 176.300 0.345 0.000 0.998 302 D CA 1.604 55.747 54.000 0.239 0.000 0.873 302 D CB -0.045 40.975 40.800 0.367 0.000 0.925 302 D HN 0.576 nan 8.370 nan 0.000 0.524 303 F N -2.491 117.511 119.950 0.086 0.000 2.773 303 F HA 0.449 4.968 4.527 -0.014 0.000 0.314 303 F C -1.683 174.281 175.800 0.273 0.000 1.160 303 F CA -1.771 56.311 58.000 0.137 0.000 0.920 303 F CB 0.946 39.893 39.000 -0.088 0.000 1.323 303 F HN -0.287 nan 8.300 nan 0.000 0.457 304 F N 2.084 122.189 119.950 0.257 0.000 2.385 304 F HA 0.782 5.301 4.527 -0.014 0.000 0.360 304 F C -0.272 175.590 175.800 0.103 0.000 1.122 304 F CA -0.630 57.401 58.000 0.052 0.000 1.090 304 F CB 1.083 39.968 39.000 -0.192 0.000 1.150 304 F HN 0.843 nan 8.300 nan 0.000 0.472 305 A N 6.481 129.259 122.820 -0.070 0.000 2.273 305 A HA 0.690 5.002 4.320 -0.014 0.000 0.315 305 A C -1.517 176.117 177.584 0.084 0.000 1.256 305 A CA -0.630 51.476 52.037 0.115 0.000 0.851 305 A CB 1.214 20.211 19.000 -0.004 0.000 1.172 305 A HN 0.644 nan 8.150 nan 0.000 0.508 306 V N 3.027 123.093 119.914 0.252 0.000 2.823 306 V HA 0.590 4.701 4.120 -0.014 0.000 0.312 306 V C -1.117 175.073 176.094 0.159 0.000 1.072 306 V CA -0.496 61.948 62.300 0.240 0.000 0.937 306 V CB 2.170 34.207 31.823 0.357 0.000 1.013 306 V HN 0.948 nan 8.190 nan 0.000 0.430 307 Q N 5.215 125.089 119.800 0.122 0.000 2.320 307 Q HA 0.384 4.716 4.340 -0.014 0.000 0.268 307 Q C -1.920 174.086 176.000 0.011 0.000 1.023 307 Q CA -0.438 55.412 55.803 0.079 0.000 0.744 307 Q CB 2.703 31.537 28.738 0.160 0.000 1.246 307 Q HN 0.758 nan 8.270 nan 0.000 0.462 308 Y N 1.717 121.889 120.300 -0.212 0.000 2.364 308 Y HA 0.313 4.855 4.550 -0.014 0.000 0.340 308 Y C -0.861 174.806 175.900 -0.387 0.000 0.975 308 Y CA -0.365 57.597 58.100 -0.229 0.000 1.089 308 Y CB 0.909 39.287 38.460 -0.138 0.000 1.192 308 Y HN 0.604 nan 8.280 nan 0.000 0.454 309 Y N 1.866 121.555 120.300 -1.018 0.000 2.572 309 Y HA 0.293 4.835 4.550 -0.014 0.000 0.274 309 Y C 0.799 176.096 175.900 -1.006 0.000 1.135 309 Y CA 0.327 57.961 58.100 -0.776 0.000 1.230 309 Y CB 1.286 39.617 38.460 -0.214 0.000 1.293 309 Y HN 0.597 nan 8.280 nan 0.000 0.501 310 T N -1.114 112.836 114.554 -1.006 0.000 2.739 310 T HA 0.553 4.895 4.350 -0.014 0.000 0.303 310 T C -1.236 173.294 174.700 -0.284 0.000 1.389 310 T CA -0.363 61.466 62.100 -0.452 0.000 1.001 310 T CB 1.600 70.455 68.868 -0.021 0.000 1.436 310 T HN -0.119 nan 8.240 nan 0.000 0.500 311 T N 2.047 116.481 114.554 -0.200 0.000 2.906 311 T HA 0.820 5.162 4.350 -0.014 0.000 0.295 311 T C -1.168 173.523 174.700 -0.016 0.000 1.061 311 T CA -0.869 61.147 62.100 -0.140 0.000 1.000 311 T CB 1.449 70.089 68.868 -0.381 0.000 1.103 311 T HN 0.423 nan 8.240 nan 0.000 0.486 312 R N 0.938 121.472 120.500 0.057 0.000 2.799 312 R HA 0.562 4.894 4.340 -0.014 0.000 0.270 312 R C -1.145 175.188 176.300 0.056 0.000 1.010 312 R CA -0.864 55.318 56.100 0.138 0.000 0.916 312 R CB 1.455 31.746 30.300 -0.015 0.000 1.228 312 R HN 0.518 nan 8.270 nan 0.000 0.469 313 L N 2.202 123.347 121.223 -0.129 0.000 2.350 313 L HA 0.482 4.814 4.340 -0.014 0.000 0.275 313 L C 0.117 176.659 176.870 -0.546 0.000 1.099 313 L CA -0.650 53.983 54.840 -0.345 0.000 0.808 313 L CB 0.687 42.434 42.059 -0.519 0.000 1.149 313 L HN 0.239 nan 8.230 nan 0.000 0.442 314 I N 2.677 123.039 120.570 -0.346 0.000 2.433 314 I HA 0.389 4.551 4.170 -0.014 0.000 0.292 314 I C -0.215 175.824 176.117 -0.129 0.000 1.001 314 I CA -0.514 60.645 61.300 -0.235 0.000 1.119 314 I CB 1.862 39.786 38.000 -0.125 0.000 1.289 314 I HN 0.593 nan 8.210 nan 0.000 0.438 315 K N 4.718 125.105 120.400 -0.022 0.000 2.270 315 K HA 0.320 4.631 4.320 -0.014 0.000 0.255 315 K C -0.959 175.710 176.600 0.116 0.000 0.936 315 K CA -0.710 55.653 56.287 0.126 0.000 0.809 315 K CB 2.124 34.803 32.500 0.299 0.000 1.131 315 K HN 0.417 nan 8.250 nan 0.000 0.427 316 Y N 2.752 123.064 120.300 0.020 0.000 2.610 316 Y HA -0.011 4.530 4.550 -0.014 0.000 0.332 316 Y C -0.559 175.344 175.900 0.005 0.000 1.201 316 Y CA 0.647 58.749 58.100 0.003 0.000 1.465 316 Y CB 0.643 39.105 38.460 0.003 0.000 1.283 316 Y HN 0.521 nan 8.280 nan 0.000 0.563 317 Q N 6.135 125.526 119.800 -0.682 0.000 2.533 317 Q HA 0.175 4.507 4.340 -0.014 0.000 0.251 317 Q C -1.165 174.378 176.000 -0.762 0.000 0.966 317 Q CA -0.582 54.855 55.803 -0.610 0.000 0.714 317 Q CB 0.832 29.403 28.738 -0.278 0.000 1.284 317 Q HN 0.870 nan 8.270 nan 0.000 0.478 318 E N 2.411 122.066 120.200 -0.909 0.000 2.465 318 E HA -0.092 4.249 4.350 -0.014 0.000 0.260 318 E C -0.364 176.100 176.600 -0.226 0.000 0.980 318 E CA 0.096 56.213 56.400 -0.472 0.000 0.927 318 E CB 0.569 30.174 29.700 -0.158 0.000 0.934 318 E HN 0.437 nan 8.360 nan 0.000 0.459 319 N N 4.328 122.950 118.700 -0.130 0.000 3.124 319 N HA 0.020 4.751 4.740 -0.014 0.000 0.284 319 N C 0.270 175.757 175.510 -0.037 0.000 1.209 319 N CA 0.138 53.142 53.050 -0.078 0.000 1.149 319 N CB 0.263 38.718 38.487 -0.052 0.000 1.434 319 N HN 0.422 nan 8.380 nan 0.000 0.529 320 K N 0.684 121.059 120.400 -0.042 0.000 2.057 320 K HA -0.108 4.204 4.320 -0.014 0.000 0.207 320 K C 0.799 177.392 176.600 -0.010 0.000 1.049 320 K CA 1.310 57.586 56.287 -0.018 0.000 0.931 320 K CB 0.210 32.697 32.500 -0.022 0.000 0.714 320 K HN 0.321 nan 8.250 nan 0.000 0.440 321 K N -0.425 119.965 120.400 -0.017 0.000 2.487 321 K HA 0.090 4.401 4.320 -0.014 0.000 0.192 321 K C 0.698 177.300 176.600 0.003 0.000 1.027 321 K CA 0.556 56.838 56.287 -0.008 0.000 1.054 321 K CB 0.378 32.870 32.500 -0.013 0.000 0.824 321 K HN 0.275 nan 8.250 nan 0.000 0.510 322 G N 1.923 110.727 108.800 0.006 0.000 2.273 322 G HA2 -0.319 3.633 3.960 -0.014 0.000 0.280 322 G HA3 -0.319 3.633 3.960 -0.014 0.000 0.280 322 G C -0.589 174.331 174.900 0.033 0.000 1.047 322 G CA 0.023 45.136 45.100 0.023 0.000 0.869 322 G HN 0.424 nan 8.290 nan 0.000 0.502 323 E N -1.244 118.965 120.200 0.016 0.000 2.408 323 E HA 0.403 4.745 4.350 -0.014 0.000 0.259 323 E C 0.177 176.804 176.600 0.044 0.000 1.110 323 E CA -0.632 55.782 56.400 0.024 0.000 0.929 323 E CB 1.008 30.704 29.700 -0.005 0.000 0.971 323 E HN 0.224 nan 8.360 nan 0.000 0.438 324 L N 1.639 122.906 121.223 0.073 0.000 2.262 324 L HA 0.574 4.906 4.340 -0.014 0.000 0.288 324 L C -0.211 176.714 176.870 0.092 0.000 1.035 324 L CA 0.442 55.349 54.840 0.111 0.000 0.820 324 L CB 0.662 42.822 42.059 0.169 0.000 1.204 324 L HN 0.576 nan 8.230 nan 0.000 0.424 325 G N 4.035 112.869 108.800 0.058 0.000 2.338 325 G HA2 0.209 4.161 3.960 -0.014 0.000 0.295 325 G HA3 0.209 4.161 3.960 -0.014 0.000 0.295 325 G C 0.259 175.158 174.900 -0.002 0.000 1.461 325 G CA -0.400 44.699 45.100 -0.001 0.000 0.817 325 G HN 0.493 nan 8.290 nan 0.000 0.556 326 I N 0.249 120.790 120.570 -0.047 0.000 2.252 326 I HA -0.078 4.084 4.170 -0.014 0.000 0.245 326 I C 2.728 178.795 176.117 -0.083 0.000 1.102 326 I CA 0.900 62.199 61.300 -0.003 0.000 1.385 326 I CB -0.284 37.689 38.000 -0.044 0.000 1.064 326 I HN 0.368 nan 8.210 nan 0.000 0.414 327 L N 0.193 121.351 121.223 -0.108 0.000 2.042 327 L HA -0.269 4.063 4.340 -0.014 0.000 0.210 327 L C 2.691 179.466 176.870 -0.160 0.000 1.076 327 L CA 1.564 56.327 54.840 -0.129 0.000 0.749 327 L CB -0.589 41.411 42.059 -0.097 0.000 0.893 327 L HN 0.267 nan 8.230 nan 0.000 0.432 328 Q N -0.399 119.328 119.800 -0.121 0.000 2.119 328 Q HA -0.181 4.151 4.340 -0.014 0.000 0.201 328 Q C 1.897 177.841 176.000 -0.094 0.000 0.972 328 Q CA 1.335 57.077 55.803 -0.102 0.000 0.847 328 Q CB -0.206 28.495 28.738 -0.062 0.000 0.903 328 Q HN 0.379 nan 8.270 nan 0.000 0.433 329 D N 0.057 120.414 120.400 -0.071 0.000 2.117 329 D HA -0.125 4.507 4.640 -0.014 0.000 0.197 329 D C 1.533 177.692 176.300 -0.235 0.000 0.987 329 D CA 1.536 55.514 54.000 -0.036 0.000 0.829 329 D CB -0.151 40.743 40.800 0.156 0.000 0.961 329 D HN 0.311 nan 8.370 nan 0.000 0.460 330 A N 0.279 122.731 122.820 -0.613 0.000 2.119 330 A HA -0.056 4.256 4.320 -0.014 0.000 0.216 330 A C 0.432 177.825 177.584 -0.318 0.000 1.152 330 A CA 0.393 51.885 52.037 -0.908 0.000 0.708 330 A CB -0.238 18.041 19.000 -1.202 0.000 0.805 330 A HN 0.269 nan 8.150 nan 0.000 0.460 331 E N -1.090 118.980 120.200 -0.217 0.000 2.246 331 E HA -0.215 4.127 4.350 -0.014 0.000 0.211 331 E C -0.451 176.051 176.600 -0.164 0.000 1.278 331 E CA 0.780 57.079 56.400 -0.167 0.000 0.694 331 E CB -2.112 27.545 29.700 -0.072 0.000 1.166 331 E HN 0.883 nan 8.360 nan 0.000 0.370 332 I N -2.648 117.831 120.570 -0.152 0.000 3.095 332 I HA 0.628 4.789 4.170 -0.014 0.000 0.310 332 I C -0.474 175.602 176.117 -0.068 0.000 1.196 332 I CA -1.072 60.178 61.300 -0.083 0.000 0.985 332 I CB 2.143 40.114 38.000 -0.047 0.000 1.250 332 I HN 0.088 nan 8.210 nan 0.000 0.446 333 E N 2.573 122.762 120.200 -0.017 0.000 2.343 333 E HA 0.712 5.053 4.350 -0.014 0.000 0.270 333 E C -1.587 175.044 176.600 0.051 0.000 0.895 333 E CA -0.784 55.606 56.400 -0.016 0.000 0.767 333 E CB 2.491 32.186 29.700 -0.007 0.000 1.248 333 E HN 0.643 nan 8.360 nan 0.000 0.440 334 F N 0.276 120.210 119.950 -0.026 0.000 2.577 334 F HA 0.876 5.397 4.527 -0.011 0.000 0.318 334 F C -1.300 174.498 175.800 -0.003 0.000 1.065 334 F CA -1.278 56.618 58.000 -0.174 0.000 0.929 334 F CB 1.334 40.228 39.000 -0.177 0.000 1.237 334 F HN 0.549 nan 8.300 nan 0.000 0.468 335 F N -0.943 119.069 119.950 0.104 0.000 2.725 335 F HA 0.757 5.280 4.527 -0.008 0.000 0.309 335 F C -3.314 172.445 175.800 -0.069 0.000 1.132 335 F CA -2.496 55.484 58.000 -0.033 0.000 0.957 335 F CB 0.765 39.690 39.000 -0.126 0.000 1.286 335 F HN 0.393 nan 8.300 nan 0.000 0.440 336 P HA 0.103 nan 4.420 nan 0.000 0.276 336 P C -1.028 176.039 177.300 -0.389 0.000 1.252 336 P CA -0.047 62.886 63.100 -0.278 0.000 0.802 336 P CB 1.084 32.383 31.700 -0.669 0.000 1.035 337 D N 0.893 120.608 120.400 -1.141 0.000 2.350 337 D HA 0.082 4.713 4.640 -0.014 0.000 0.249 337 D C -1.445 174.528 176.300 -0.545 0.000 1.119 337 D CA -1.795 51.609 54.000 -0.993 0.000 0.886 337 D CB 0.802 40.578 40.800 -1.707 0.000 1.195 337 D HN 0.069 nan 8.370 nan 0.000 0.437 338 P HA -0.161 nan 4.420 nan 0.000 0.218 338 P C 1.312 178.597 177.300 -0.026 0.000 1.146 338 P CA 1.169 64.219 63.100 -0.083 0.000 0.813 338 P CB 0.139 31.802 31.700 -0.061 0.000 0.778 339 S N -3.355 112.289 115.700 -0.093 0.000 2.461 339 S HA -0.078 4.384 4.470 -0.014 0.000 0.228 339 S C 0.597 175.337 174.600 0.232 0.000 1.005 339 S CA -0.029 58.202 58.200 0.052 0.000 0.942 339 S CB -0.825 62.412 63.200 0.062 0.000 0.776 339 S HN 0.017 nan 8.310 nan 0.000 0.514 340 W N 3.344 124.741 121.300 0.161 0.000 2.238 340 W HA 0.479 5.133 4.660 -0.010 0.000 0.321 340 W C 0.615 177.231 176.519 0.161 0.000 1.293 340 W CA -1.920 55.529 57.345 0.174 0.000 1.204 340 W CB 0.198 29.801 29.460 0.239 0.000 1.167 340 W HN 0.123 nan 8.180 nan 0.000 0.553 341 K N 3.286 123.843 120.400 0.261 0.000 2.126 341 K HA 0.206 4.518 4.320 -0.014 0.000 0.257 341 K C 0.412 176.950 176.600 -0.104 0.000 1.007 341 K CA -0.386 55.937 56.287 0.060 0.000 0.928 341 K CB 0.807 33.297 32.500 -0.016 0.000 1.013 341 K HN 0.521 nan 8.250 nan 0.000 0.473 342 N N -1.226 117.328 118.700 -0.244 0.000 2.484 342 N HA 0.392 5.124 4.740 -0.014 0.000 0.269 342 N C -1.585 173.725 175.510 -0.335 0.000 1.237 342 N CA -0.754 51.997 53.050 -0.499 0.000 0.838 342 N CB 1.476 39.200 38.487 -1.273 0.000 1.593 342 N HN 0.311 nan 8.380 nan 0.000 0.485 343 V N 0.125 119.832 119.914 -0.344 0.000 2.483 343 V HA 0.513 4.624 4.120 -0.014 0.000 0.297 343 V C 0.359 176.252 176.094 -0.334 0.000 1.027 343 V CA -0.461 61.676 62.300 -0.271 0.000 0.855 343 V CB 0.919 32.608 31.823 -0.224 0.000 0.995 343 V HN 0.833 nan 8.190 nan 0.000 0.424 344 D N 2.954 123.220 120.400 -0.223 0.000 3.452 344 D HA -0.260 4.371 4.640 -0.014 0.000 0.164 344 D C 1.064 177.318 176.300 -0.077 0.000 1.074 344 D CA 2.562 56.491 54.000 -0.119 0.000 1.069 344 D CB -0.432 40.296 40.800 -0.120 0.000 0.527 344 D HN 1.121 nan 8.370 nan 0.000 0.558 345 W N 0.564 121.886 121.300 0.038 0.000 2.937 345 W HA 0.263 4.914 4.660 -0.015 0.000 0.245 345 W C 0.472 177.094 176.519 0.171 0.000 1.306 345 W CA -0.255 57.185 57.345 0.158 0.000 1.470 345 W CB -0.618 28.921 29.460 0.132 0.000 1.132 345 W HN 0.026 nan 8.180 nan 0.000 0.675 346 I N 2.020 122.273 120.570 -0.529 0.000 2.260 346 I HA 0.113 4.274 4.170 -0.014 0.000 0.297 346 I C -0.585 175.359 176.117 -0.287 0.000 1.143 346 I CA -0.655 60.353 61.300 -0.487 0.000 1.271 346 I CB -0.785 36.801 38.000 -0.690 0.000 1.461 346 I HN -0.195 nan 8.210 nan 0.000 0.530 347 Y N 4.457 124.702 120.300 -0.091 0.000 2.336 347 Y HA 0.317 4.859 4.550 -0.013 0.000 0.335 347 Y C 0.523 176.283 175.900 -0.233 0.000 1.046 347 Y CA -0.724 57.339 58.100 -0.063 0.000 1.198 347 Y CB 1.007 39.552 38.460 0.142 0.000 1.182 347 Y HN 0.162 nan 8.280 nan 0.000 0.502 348 V N 5.775 125.569 119.914 -0.200 0.000 2.364 348 V HA 0.064 4.176 4.120 -0.014 0.000 0.252 348 V C -0.236 175.597 176.094 -0.435 0.000 1.075 348 V CA -0.167 61.928 62.300 -0.343 0.000 1.033 348 V CB -0.462 30.889 31.823 -0.787 0.000 1.116 348 V HN 0.540 nan 8.190 nan 0.000 0.488 349 V N 7.530 127.154 119.914 -0.482 0.000 2.383 349 V HA 0.220 4.332 4.120 -0.014 0.000 0.261 349 V C -1.643 174.120 176.094 -0.552 0.000 0.987 349 V CA -0.965 60.861 62.300 -0.789 0.000 0.853 349 V CB 1.175 32.200 31.823 -1.330 0.000 1.095 349 V HN 0.597 nan 8.190 nan 0.000 0.461 350 P HA -0.147 nan 4.420 nan 0.000 0.215 350 P C 1.736 178.939 177.300 -0.163 0.000 1.153 350 P CA 1.567 64.599 63.100 -0.114 0.000 0.853 350 P CB 0.040 31.727 31.700 -0.023 0.000 0.788 351 W N -0.581 120.668 121.300 -0.084 0.000 2.468 351 W HA 0.038 4.689 4.660 -0.015 0.000 0.262 351 W C 1.556 177.941 176.519 -0.224 0.000 1.241 351 W CA 0.659 57.929 57.345 -0.124 0.000 1.232 351 W CB -2.207 27.211 29.460 -0.070 0.000 1.124 351 W HN -0.098 nan 8.180 nan 0.000 0.597 352 G N 1.950 110.370 108.800 -0.633 0.000 2.440 352 G HA2 -0.311 3.641 3.960 -0.014 0.000 0.218 352 G HA3 -0.311 3.641 3.960 -0.014 0.000 0.218 352 G C 1.580 176.011 174.900 -0.781 0.000 1.154 352 G CA 1.777 46.531 45.100 -0.577 0.000 0.767 352 G HN 0.246 nan 8.290 nan 0.000 0.552 353 V N -0.028 119.279 119.914 -1.012 0.000 2.427 353 V HA -0.163 3.949 4.120 -0.014 0.000 0.248 353 V C 2.816 178.615 176.094 -0.490 0.000 1.051 353 V CA 2.064 63.767 62.300 -0.996 0.000 1.048 353 V CB -0.458 30.936 31.823 -0.715 0.000 0.666 353 V HN 0.524 nan 8.190 nan 0.000 0.456 354 C N 0.143 119.243 119.300 -0.333 0.000 2.432 354 C HA -0.104 4.348 4.460 -0.014 0.000 0.277 354 C C 2.822 177.609 174.990 -0.338 0.000 1.249 354 C CA 1.271 60.151 59.018 -0.230 0.000 1.725 354 C CB -1.054 26.622 27.740 -0.106 0.000 2.028 354 C HN 0.534 nan 8.230 nan 0.000 0.477 355 K N 0.428 120.517 120.400 -0.519 0.000 2.032 355 K HA -0.157 4.155 4.320 -0.014 0.000 0.209 355 K C 1.851 177.824 176.600 -1.044 0.000 1.048 355 K CA 1.250 56.992 56.287 -0.910 0.000 0.927 355 K CB -1.034 30.508 32.500 -1.597 0.000 0.712 355 K HN 0.506 nan 8.250 nan 0.000 0.441 356 L N 1.647 122.338 121.223 -0.887 0.000 2.012 356 L HA -0.153 4.178 4.340 -0.014 0.000 0.210 356 L C 2.185 178.955 176.870 -0.166 0.000 1.073 356 L CA 1.471 56.109 54.840 -0.336 0.000 0.748 356 L CB -0.539 41.429 42.059 -0.152 0.000 0.891 356 L HN 0.083 nan 8.230 nan 0.000 0.431 357 L N -0.647 120.447 121.223 -0.215 0.000 2.083 357 L HA -0.207 4.125 4.340 -0.014 0.000 0.209 357 L C 2.603 179.396 176.870 -0.128 0.000 1.083 357 L CA 1.420 56.177 54.840 -0.138 0.000 0.752 357 L CB -0.639 41.355 42.059 -0.108 0.000 0.899 357 L HN 0.266 nan 8.230 nan 0.000 0.433 358 K N -0.046 120.262 120.400 -0.153 0.000 2.057 358 K HA -0.256 4.056 4.320 -0.014 0.000 0.207 358 K C 2.126 178.683 176.600 -0.071 0.000 1.049 358 K CA 1.614 57.831 56.287 -0.117 0.000 0.931 358 K CB -0.683 31.740 32.500 -0.130 0.000 0.714 358 K HN 0.203 nan 8.250 nan 0.000 0.440 359 Y N 0.733 120.941 120.300 -0.153 0.000 2.128 359 Y HA -0.183 4.359 4.550 -0.013 0.000 0.284 359 Y C 1.765 177.631 175.900 -0.056 0.000 1.154 359 Y CA 2.165 60.250 58.100 -0.024 0.000 1.149 359 Y CB -0.176 38.392 38.460 0.179 0.000 0.976 359 Y HN 0.054 nan 8.280 nan 0.000 0.505 360 I N 0.215 120.749 120.570 -0.059 0.000 2.179 360 I HA -0.334 3.828 4.170 -0.014 0.000 0.242 360 I C 2.613 178.585 176.117 -0.241 0.000 1.088 360 I CA 1.778 62.928 61.300 -0.251 0.000 1.357 360 I CB -0.533 37.145 38.000 -0.536 0.000 1.051 360 I HN 0.164 nan 8.210 nan 0.000 0.409 361 K N 0.899 121.188 120.400 -0.184 0.000 2.044 361 K HA -0.257 4.054 4.320 -0.014 0.000 0.210 361 K C 1.637 178.143 176.600 -0.156 0.000 1.049 361 K CA 2.191 58.398 56.287 -0.133 0.000 0.927 361 K CB -0.093 32.348 32.500 -0.098 0.000 0.713 361 K HN 0.258 nan 8.250 nan 0.000 0.443 362 D N -0.587 119.691 120.400 -0.204 0.000 2.183 362 D HA -0.077 4.555 4.640 -0.014 0.000 0.203 362 D C 1.652 177.755 176.300 -0.329 0.000 0.969 362 D CA 1.305 55.171 54.000 -0.222 0.000 0.842 362 D CB -0.078 40.605 40.800 -0.195 0.000 0.957 362 D HN 0.293 nan 8.370 nan 0.000 0.484 363 T N -1.003 113.233 114.554 -0.529 0.000 3.031 363 T HA -0.015 4.327 4.350 -0.014 0.000 0.254 363 T C 0.668 174.862 174.700 -0.843 0.000 1.060 363 T CA 0.382 62.006 62.100 -0.793 0.000 1.135 363 T CB 0.038 68.149 68.868 -1.261 0.000 0.896 363 T HN 0.134 nan 8.240 nan 0.000 0.472 364 Y N 1.628 121.777 120.300 -0.251 0.000 2.736 364 Y HA 0.418 4.959 4.550 -0.014 0.000 0.293 364 Y C 0.680 176.541 175.900 -0.064 0.000 1.062 364 Y CA -1.498 56.512 58.100 -0.151 0.000 1.247 364 Y CB -0.541 37.759 38.460 -0.265 0.000 1.200 364 Y HN 0.068 nan 8.280 nan 0.000 0.552 365 N N 2.346 121.038 118.700 -0.014 0.000 2.725 365 N HA -0.307 4.425 4.740 -0.014 0.000 0.251 365 N C -0.470 175.061 175.510 0.035 0.000 1.031 365 N CA 1.115 54.173 53.050 0.013 0.000 0.720 365 N CB -1.406 37.111 38.487 0.050 0.000 0.930 365 N HN 0.531 nan 8.380 nan 0.000 0.543 366 N N -2.194 116.507 118.700 0.001 0.000 2.667 366 N HA -0.135 4.597 4.740 -0.014 0.000 0.263 366 N C -2.512 173.035 175.510 0.061 0.000 1.038 366 N CA 1.023 54.079 53.050 0.010 0.000 0.749 366 N CB -0.065 38.425 38.487 0.004 0.000 0.892 366 N HN 0.564 nan 8.380 nan 0.000 0.546 367 P HA 0.232 nan 4.420 nan 0.000 0.278 367 P C -0.221 177.182 177.300 0.171 0.000 1.266 367 P CA -0.648 62.553 63.100 0.168 0.000 0.807 367 P CB 0.770 32.612 31.700 0.238 0.000 1.094 368 V N 1.859 121.908 119.914 0.225 0.000 2.540 368 V HA 0.007 4.118 4.120 -0.014 0.000 0.297 368 V C 0.755 177.050 176.094 0.335 0.000 1.024 368 V CA 0.611 63.059 62.300 0.248 0.000 1.105 368 V CB -0.617 31.354 31.823 0.247 0.000 0.938 368 V HN 0.283 nan 8.190 nan 0.000 0.482 369 I N 5.693 126.450 120.570 0.313 0.000 2.406 369 I HA 0.411 4.573 4.170 -0.014 0.000 0.290 369 I C -1.049 175.354 176.117 0.476 0.000 0.999 369 I CA -0.686 60.836 61.300 0.370 0.000 1.124 369 I CB 1.560 39.688 38.000 0.214 0.000 1.289 369 I HN 0.408 nan 8.210 nan 0.000 0.441 370 Y N 5.930 126.374 120.300 0.240 0.000 2.331 370 Y HA 0.475 5.016 4.550 -0.014 0.000 0.338 370 Y C 0.200 176.195 175.900 0.157 0.000 0.992 370 Y CA -1.353 56.820 58.100 0.122 0.000 1.121 370 Y CB 1.537 40.068 38.460 0.118 0.000 1.184 370 Y HN 0.370 nan 8.280 nan 0.000 0.469 371 I N 3.844 124.546 120.570 0.220 0.000 2.294 371 I HA 0.058 4.220 4.170 -0.014 0.000 0.295 371 I C 0.963 177.127 176.117 0.079 0.000 1.098 371 I CA 0.072 61.471 61.300 0.164 0.000 1.277 371 I CB 0.702 38.818 38.000 0.192 0.000 1.434 371 I HN 0.729 nan 8.210 nan 0.000 0.498 372 T N 1.280 115.915 114.554 0.135 0.000 3.081 372 T HA 0.206 4.548 4.350 -0.014 0.000 0.255 372 T C 0.525 175.291 174.700 0.109 0.000 1.113 372 T CA 0.246 62.426 62.100 0.133 0.000 1.082 372 T CB 0.040 69.019 68.868 0.185 0.000 0.939 372 T HN 0.523 nan 8.240 nan 0.000 0.506 373 E N 0.910 121.136 120.200 0.043 0.000 2.335 373 E HA 0.475 4.816 4.350 -0.014 0.000 0.280 373 E C -1.414 175.031 176.600 -0.258 0.000 0.918 373 E CA -0.804 55.600 56.400 0.006 0.000 0.765 373 E CB 1.858 31.605 29.700 0.078 0.000 1.218 373 E HN 0.222 nan 8.360 nan 0.000 0.425 374 N N 1.655 120.178 118.700 -0.294 0.000 2.555 374 N HA 0.583 5.315 4.740 -0.014 0.000 0.265 374 N C -1.262 174.158 175.510 -0.150 0.000 1.135 374 N CA -0.170 52.608 53.050 -0.455 0.000 0.925 374 N CB 2.271 40.738 38.487 -0.033 0.000 1.662 374 N HN 0.669 nan 8.380 nan 0.000 0.489 375 G N 0.834 109.424 108.800 -0.351 0.000 2.321 375 G HA2 0.496 4.448 3.960 -0.014 0.000 0.296 375 G HA3 0.496 4.448 3.960 -0.014 0.000 0.296 375 G C -2.311 172.332 174.900 -0.429 0.000 1.287 375 G CA -0.652 44.408 45.100 -0.067 0.000 0.846 375 G HN 0.323 nan 8.290 nan 0.000 0.508 376 F N 0.837 120.902 119.950 0.192 0.000 2.574 376 F HA 0.621 5.139 4.527 -0.014 0.000 0.313 376 F C -2.236 173.371 175.800 -0.322 0.000 1.130 376 F CA -1.626 56.322 58.000 -0.086 0.000 0.936 376 F CB 3.053 41.931 39.000 -0.204 0.000 1.219 376 F HN 0.281 nan 8.300 nan 0.000 0.445 377 P HA 0.318 nan 4.420 nan 0.000 0.282 377 P C -1.520 175.584 177.300 -0.326 0.000 1.259 377 P CA -0.618 61.989 63.100 -0.821 0.000 0.826 377 P CB 1.457 32.433 31.700 -1.205 0.000 1.064 378 Q N 0.057 119.716 119.800 -0.235 0.000 2.348 378 Q HA 0.488 4.820 4.340 -0.014 0.000 0.271 378 Q C -0.299 175.645 176.000 -0.093 0.000 1.067 378 Q CA -0.755 54.970 55.803 -0.130 0.000 0.839 378 Q CB 1.914 30.591 28.738 -0.102 0.000 1.354 378 Q HN 0.391 nan 8.270 nan 0.000 0.447 379 S N 0.759 116.423 115.700 -0.061 0.000 2.672 379 S HA 0.238 4.699 4.470 -0.014 0.000 0.276 379 S C -0.575 174.039 174.600 0.023 0.000 1.207 379 S CA -0.802 57.374 58.200 -0.040 0.000 1.002 379 S CB 0.624 63.797 63.200 -0.045 0.000 0.998 379 S HN 0.413 nan 8.310 nan 0.000 0.542 380 D N 3.118 123.541 120.400 0.039 0.000 2.350 380 D HA 0.263 4.895 4.640 -0.014 0.000 0.249 380 D C -1.873 174.469 176.300 0.071 0.000 1.119 380 D CA -0.731 53.321 54.000 0.087 0.000 0.886 380 D CB 0.233 41.102 40.800 0.115 0.000 1.195 380 D HN 0.290 nan 8.370 nan 0.000 0.437 381 P HA 0.317 nan 4.420 nan 0.000 0.281 381 P C -1.211 176.148 177.300 0.098 0.000 1.252 381 P CA -0.570 62.587 63.100 0.094 0.000 0.778 381 P CB 0.991 32.735 31.700 0.074 0.000 0.895 382 A N 5.833 128.743 122.820 0.151 0.000 2.252 382 A HA 0.545 4.857 4.320 -0.014 0.000 0.309 382 A C -2.020 175.685 177.584 0.201 0.000 1.285 382 A CA -1.409 50.736 52.037 0.180 0.000 0.900 382 A CB -0.117 19.044 19.000 0.269 0.000 1.157 382 A HN 0.437 nan 8.150 nan 0.000 0.536 383 P HA 0.162 nan 4.420 nan 0.000 0.276 383 P C 0.705 178.133 177.300 0.213 0.000 1.230 383 P CA -0.289 62.877 63.100 0.111 0.000 0.776 383 P CB 0.949 32.685 31.700 0.060 0.000 0.888 384 L N 0.875 122.157 121.223 0.098 0.000 2.093 384 L HA -0.096 4.235 4.340 -0.014 0.000 0.208 384 L C 1.237 178.189 176.870 0.137 0.000 1.085 384 L CA 1.327 56.218 54.840 0.083 0.000 0.755 384 L CB -0.527 41.443 42.059 -0.148 0.000 0.904 384 L HN 0.386 nan 8.230 nan 0.000 0.435 385 D N 1.209 121.643 120.400 0.056 0.000 2.608 385 D HA -0.025 4.607 4.640 -0.014 0.000 0.224 385 D C -0.133 176.194 176.300 0.045 0.000 1.123 385 D CA -0.249 53.770 54.000 0.031 0.000 1.030 385 D CB -0.064 40.733 40.800 -0.004 0.000 1.093 385 D HN 0.203 nan 8.370 nan 0.000 0.497 386 D N 1.365 121.811 120.400 0.077 0.000 2.845 386 D HA -0.058 4.574 4.640 -0.014 0.000 0.235 386 D C 1.093 177.412 176.300 0.030 0.000 1.158 386 D CA -0.204 53.816 54.000 0.034 0.000 0.990 386 D CB -0.085 40.708 40.800 -0.012 0.000 1.094 386 D HN 0.247 nan 8.370 nan 0.000 0.486 387 T N -1.869 112.693 114.554 0.013 0.000 2.833 387 T HA -0.283 4.058 4.350 -0.014 0.000 0.269 387 T C 1.748 176.419 174.700 -0.048 0.000 1.054 387 T CA 1.293 63.410 62.100 0.029 0.000 1.135 387 T CB -0.203 68.671 68.868 0.011 0.000 0.869 387 T HN 0.347 nan 8.240 nan 0.000 0.466 388 Q N 1.095 120.800 119.800 -0.158 0.000 2.079 388 Q HA -0.037 4.294 4.340 -0.014 0.000 0.200 388 Q C 2.592 178.137 176.000 -0.757 0.000 0.974 388 Q CA 1.059 56.633 55.803 -0.381 0.000 0.840 388 Q CB -0.153 28.398 28.738 -0.311 0.000 0.898 388 Q HN 0.579 nan 8.270 nan 0.000 0.430 389 R N -0.344 119.860 120.500 -0.493 0.000 2.081 389 R HA -0.171 4.160 4.340 -0.014 0.000 0.235 389 R C 2.133 178.317 176.300 -0.193 0.000 1.131 389 R CA 1.527 57.352 56.100 -0.458 0.000 0.960 389 R CB -0.631 29.621 30.300 -0.080 0.000 0.856 389 R HN 0.604 nan 8.270 nan 0.000 0.436 390 W N 1.881 123.116 121.300 -0.108 0.000 2.342 390 W HA -0.241 4.411 4.660 -0.013 0.000 0.297 390 W C 1.496 178.006 176.519 -0.015 0.000 1.213 390 W CA 1.810 59.188 57.345 0.055 0.000 1.251 390 W CB -0.040 29.427 29.460 0.010 0.000 1.136 390 W HN 0.209 nan 8.180 nan 0.000 0.526 391 E N 0.374 120.387 120.200 -0.312 0.000 2.085 391 E HA -0.261 4.080 4.350 -0.014 0.000 0.194 391 E C 1.841 178.202 176.600 -0.398 0.000 0.994 391 E CA 1.985 58.168 56.400 -0.362 0.000 0.801 391 E CB -1.185 28.354 29.700 -0.269 0.000 0.743 391 E HN 0.285 nan 8.360 nan 0.000 0.453 392 Y N -0.547 119.422 120.300 -0.552 0.000 2.181 392 Y HA -0.109 4.433 4.550 -0.013 0.000 0.288 392 Y C 2.140 177.535 175.900 -0.842 0.000 1.146 392 Y CA 0.858 58.425 58.100 -0.887 0.000 1.164 392 Y CB -1.110 36.310 38.460 -1.734 0.000 0.982 392 Y HN 0.073 nan 8.280 nan 0.000 0.515 393 F N 0.016 119.571 119.950 -0.658 0.000 2.075 393 F HA -0.176 4.343 4.527 -0.013 0.000 0.297 393 F C 2.696 177.847 175.800 -1.082 0.000 1.113 393 F CA 1.704 59.213 58.000 -0.819 0.000 1.218 393 F CB -0.640 37.778 39.000 -0.971 0.000 0.984 393 F HN -0.107 nan 8.300 nan 0.000 0.472 394 R N 0.403 120.411 120.500 -0.819 0.000 2.096 394 R HA -0.250 4.082 4.340 -0.014 0.000 0.240 394 R C 2.152 178.348 176.300 -0.174 0.000 1.139 394 R CA 2.179 58.032 56.100 -0.412 0.000 0.952 394 R CB -0.432 29.651 30.300 -0.361 0.000 0.854 394 R HN 0.381 nan 8.270 nan 0.000 0.436 395 Q N -1.006 118.682 119.800 -0.187 0.000 2.124 395 Q HA -0.123 4.208 4.340 -0.014 0.000 0.202 395 Q C 2.006 177.974 176.000 -0.052 0.000 0.977 395 Q CA 2.151 57.912 55.803 -0.070 0.000 0.850 395 Q CB 0.011 28.720 28.738 -0.049 0.000 0.901 395 Q HN 0.394 nan 8.270 nan 0.000 0.429 396 T N 0.538 114.998 114.554 -0.157 0.000 2.777 396 T HA -0.111 4.231 4.350 -0.014 0.000 0.266 396 T C 1.273 175.951 174.700 -0.036 0.000 1.040 396 T CA 1.070 63.099 62.100 -0.119 0.000 1.141 396 T CB -0.244 68.536 68.868 -0.147 0.000 0.868 396 T HN 0.162 nan 8.240 nan 0.000 0.444 397 F N 1.870 121.867 119.950 0.079 0.000 2.216 397 F HA -0.015 4.504 4.527 -0.013 0.000 0.300 397 F C 2.589 178.550 175.800 0.267 0.000 1.085 397 F CA 0.387 58.488 58.000 0.168 0.000 1.326 397 F CB -1.010 38.062 39.000 0.121 0.000 1.027 397 F HN 0.216 nan 8.300 nan 0.000 0.497 398 Q N -0.048 119.938 119.800 0.311 0.000 2.124 398 Q HA -0.171 4.160 4.340 -0.014 0.000 0.202 398 Q C 2.079 178.213 176.000 0.223 0.000 0.977 398 Q CA 1.296 57.244 55.803 0.242 0.000 0.850 398 Q CB -0.163 28.658 28.738 0.139 0.000 0.901 398 Q HN 0.371 nan 8.270 nan 0.000 0.429 399 E N 0.655 120.951 120.200 0.160 0.000 2.107 399 E HA -0.111 4.231 4.350 -0.014 0.000 0.191 399 E C 2.153 178.809 176.600 0.092 0.000 0.982 399 E CA 0.675 57.135 56.400 0.099 0.000 0.809 399 E CB -0.123 29.603 29.700 0.043 0.000 0.756 399 E HN 0.388 nan 8.360 nan 0.000 0.459 400 L N 0.015 121.343 121.223 0.176 0.000 2.012 400 L HA -0.180 4.152 4.340 -0.014 0.000 0.210 400 L C 2.528 179.430 176.870 0.053 0.000 1.073 400 L CA 1.284 56.238 54.840 0.190 0.000 0.748 400 L CB -0.571 41.731 42.059 0.405 0.000 0.891 400 L HN 0.059 nan 8.230 nan 0.000 0.431 401 F N 1.115 121.007 119.950 -0.097 0.000 2.134 401 F HA -0.246 4.272 4.527 -0.014 0.000 0.299 401 F C 2.668 178.326 175.800 -0.236 0.000 1.097 401 F CA 1.783 59.541 58.000 -0.404 0.000 1.264 401 F CB -0.181 38.634 39.000 -0.309 0.000 1.001 401 F HN -0.096 nan 8.300 nan 0.000 0.479 402 K N 0.316 120.675 120.400 -0.069 0.000 2.057 402 K HA -0.162 4.149 4.320 -0.014 0.000 0.207 402 K C 2.192 178.676 176.600 -0.194 0.000 1.049 402 K CA 1.238 57.444 56.287 -0.135 0.000 0.931 402 K CB -0.427 32.069 32.500 -0.006 0.000 0.714 402 K HN 0.328 nan 8.250 nan 0.000 0.440 403 A N 1.145 123.877 122.820 -0.146 0.000 1.930 403 A HA -0.095 4.216 4.320 -0.014 0.000 0.217 403 A C 2.040 179.519 177.584 -0.174 0.000 1.175 403 A CA 1.240 53.196 52.037 -0.135 0.000 0.627 403 A CB -0.411 18.534 19.000 -0.091 0.000 0.815 403 A HN 0.327 nan 8.150 nan 0.000 0.443 404 I N -0.845 119.574 120.570 -0.252 0.000 2.193 404 I HA -0.226 3.936 4.170 -0.014 0.000 0.240 404 I C 2.795 178.705 176.117 -0.345 0.000 1.084 404 I CA 1.132 62.258 61.300 -0.289 0.000 1.365 404 I CB -0.299 37.466 38.000 -0.392 0.000 1.064 404 I HN 0.305 nan 8.210 nan 0.000 0.410 405 Q N 0.021 119.502 119.800 -0.532 0.000 2.020 405 Q HA -0.130 4.202 4.340 -0.014 0.000 0.198 405 Q C 2.248 178.076 176.000 -0.286 0.000 0.974 405 Q CA 1.396 56.899 55.803 -0.499 0.000 0.829 405 Q CB -0.458 27.792 28.738 -0.814 0.000 0.894 405 Q HN 0.352 nan 8.270 nan 0.000 0.433 406 L N 1.323 122.399 121.223 -0.245 0.000 2.084 406 L HA -0.043 4.289 4.340 -0.014 0.000 0.202 406 L C 1.292 178.087 176.870 -0.124 0.000 1.074 406 L CA 1.888 56.638 54.840 -0.151 0.000 0.757 406 L CB -0.415 41.574 42.059 -0.118 0.000 0.918 406 L HN 0.030 nan 8.230 nan 0.000 0.444 407 D N -0.129 120.194 120.400 -0.130 0.000 2.349 407 D HA -0.027 4.605 4.640 -0.014 0.000 0.215 407 D C 0.412 176.653 176.300 -0.097 0.000 1.016 407 D CA 0.196 54.134 54.000 -0.104 0.000 0.870 407 D CB 0.116 40.855 40.800 -0.103 0.000 0.917 407 D HN 0.301 nan 8.370 nan 0.000 0.524 408 K N -0.012 120.319 120.400 -0.115 0.000 3.035 408 K HA -0.149 4.163 4.320 -0.014 0.000 0.262 408 K C -0.386 176.173 176.600 -0.068 0.000 1.024 408 K CA -0.064 56.166 56.287 -0.095 0.000 0.748 408 K CB -1.670 30.787 32.500 -0.073 0.000 1.247 408 K HN 0.036 nan 8.250 nan 0.000 0.482 409 V N 1.394 121.264 119.914 -0.073 0.000 2.637 409 V HA -0.011 4.100 4.120 -0.014 0.000 0.296 409 V C 1.122 177.213 176.094 -0.005 0.000 1.046 409 V CA -0.295 61.979 62.300 -0.042 0.000 1.066 409 V CB 1.233 33.027 31.823 -0.049 0.000 0.968 409 V HN 0.276 nan 8.190 nan 0.000 0.483 410 N N 3.968 122.685 118.700 0.027 0.000 3.303 410 N HA 0.091 4.822 4.740 -0.014 0.000 0.304 410 N C -0.610 174.969 175.510 0.114 0.000 1.302 410 N CA -0.338 52.752 53.050 0.068 0.000 1.213 410 N CB -0.354 38.178 38.487 0.075 0.000 1.481 410 N HN 0.570 nan 8.380 nan 0.000 0.546 411 L N 1.420 122.722 121.223 0.133 0.000 2.315 411 L HA 0.198 4.529 4.340 -0.014 0.000 0.283 411 L C 1.011 178.013 176.870 0.220 0.000 1.089 411 L CA 0.619 55.580 54.840 0.201 0.000 0.833 411 L CB 0.822 43.037 42.059 0.260 0.000 1.170 411 L HN 0.378 nan 8.230 nan 0.000 0.442 412 Q N 3.053 122.857 119.800 0.006 0.000 2.423 412 Q HA 0.286 4.618 4.340 -0.014 0.000 0.231 412 Q C -0.607 174.835 176.000 -0.930 0.000 0.894 412 Q CA 0.232 55.873 55.803 -0.269 0.000 0.938 412 Q CB 1.085 29.744 28.738 -0.130 0.000 1.079 412 Q HN 0.523 nan 8.270 nan 0.000 0.552 413 V N 0.606 119.950 119.914 -0.950 0.000 2.709 413 V HA 0.298 4.410 4.120 -0.014 0.000 0.308 413 V C -1.580 174.181 176.094 -0.554 0.000 1.062 413 V CA -0.983 60.627 62.300 -1.150 0.000 0.901 413 V CB 1.696 32.581 31.823 -1.563 0.000 1.003 413 V HN 0.126 nan 8.190 nan 0.000 0.425 414 Y N 4.274 124.247 120.300 -0.545 0.000 2.341 414 Y HA 0.674 5.216 4.550 -0.014 0.000 0.338 414 Y C -0.383 175.602 175.900 0.141 0.000 0.965 414 Y CA -0.658 57.441 58.100 -0.001 0.000 1.108 414 Y CB 1.558 40.192 38.460 0.289 0.000 1.180 414 Y HN 0.759 nan 8.280 nan 0.000 0.458 415 C N 7.115 126.105 119.300 -0.517 0.000 2.322 415 C HA 0.866 5.318 4.460 -0.014 0.000 0.324 415 C C -0.040 174.740 174.990 -0.350 0.000 1.249 415 C CA -0.474 58.406 59.018 -0.230 0.000 1.453 415 C CB -1.193 26.534 27.740 -0.022 0.000 2.145 415 C HN 1.043 nan 8.230 nan 0.000 0.466 416 A N 6.446 129.242 122.820 -0.040 0.000 2.409 416 A HA 0.411 4.722 4.320 -0.014 0.000 0.267 416 A C -0.355 177.400 177.584 0.285 0.000 1.127 416 A CA -0.267 51.872 52.037 0.171 0.000 0.795 416 A CB 0.275 19.425 19.000 0.251 0.000 1.061 416 A HN 0.997 nan 8.150 nan 0.000 0.502 417 W N 3.941 125.341 121.300 0.166 0.000 2.308 417 W HA 0.518 5.170 4.660 -0.013 0.000 0.311 417 W C -0.441 176.303 176.519 0.375 0.000 1.088 417 W CA -0.099 57.368 57.345 0.204 0.000 1.309 417 W CB 1.372 30.902 29.460 0.118 0.000 1.229 417 W HN 0.701 nan 8.180 nan 0.000 0.427 418 S N 4.205 119.897 115.700 -0.012 0.000 2.661 418 S HA 0.289 4.751 4.470 -0.014 0.000 0.285 418 S C 0.322 174.911 174.600 -0.019 0.000 1.138 418 S CA -0.704 57.211 58.200 -0.475 0.000 0.855 418 S CB 1.535 64.013 63.200 -1.204 0.000 1.136 418 S HN 0.517 nan 8.310 nan 0.000 0.484 419 L N 2.401 123.646 121.223 0.036 0.000 2.042 419 L HA 0.323 4.655 4.340 -0.014 0.000 0.210 419 L C -0.142 176.878 176.870 0.250 0.000 1.076 419 L CA 1.910 56.886 54.840 0.226 0.000 0.749 419 L CB -0.304 41.902 42.059 0.246 0.000 0.893 419 L HN 0.613 nan 8.230 nan 0.000 0.432 420 L N -0.367 120.928 121.223 0.120 0.000 2.381 420 L HA 0.359 4.691 4.340 -0.014 0.000 0.268 420 L C -0.705 176.273 176.870 0.181 0.000 0.997 420 L CA -1.240 53.697 54.840 0.161 0.000 0.818 420 L CB 1.451 43.574 42.059 0.106 0.000 1.310 420 L HN -0.187 nan 8.230 nan 0.000 0.416 421 D N 2.344 122.902 120.400 0.264 0.000 2.525 421 D HA 0.150 4.782 4.640 -0.014 0.000 0.235 421 D C -0.354 176.240 176.300 0.490 0.000 1.137 421 D CA 0.773 54.989 54.000 0.360 0.000 0.868 421 D CB 0.546 41.540 40.800 0.323 0.000 1.180 421 D HN 0.663 nan 8.370 nan 0.000 0.465 422 N N -0.212 118.783 118.700 0.491 0.000 3.344 422 N HA 0.279 5.011 4.740 -0.014 0.000 0.296 422 N C -1.442 174.208 175.510 0.233 0.000 1.571 422 N CA -0.920 52.395 53.050 0.442 0.000 0.844 422 N CB 0.214 38.834 38.487 0.222 0.000 1.718 422 N HN 0.190 nan 8.380 nan 0.000 0.589 423 F N 0.872 120.735 119.950 -0.145 0.000 2.468 423 F HA 0.314 4.833 4.527 -0.013 0.000 0.356 423 F C 0.508 175.959 175.800 -0.582 0.000 1.167 423 F CA -0.418 57.199 58.000 -0.638 0.000 1.135 423 F CB 0.412 39.015 39.000 -0.662 0.000 1.197 423 F HN 0.621 nan 8.300 nan 0.000 0.569 424 E N 7.328 127.062 120.200 -0.778 0.000 2.261 424 E HA 0.173 4.515 4.350 -0.014 0.000 0.308 424 E C -0.183 176.053 176.600 -0.608 0.000 1.400 424 E CA -0.133 55.960 56.400 -0.512 0.000 1.542 424 E CB -0.515 29.183 29.700 -0.002 0.000 1.369 424 E HN 0.718 nan 8.360 nan 0.000 0.493 425 W N 1.011 121.824 121.300 -0.812 0.000 2.047 425 W HA -0.517 4.134 4.660 -0.014 0.000 0.283 425 W C 1.631 177.865 176.519 -0.475 0.000 1.201 425 W CA 1.057 57.949 57.345 -0.754 0.000 1.140 425 W CB -1.269 27.918 29.460 -0.456 0.000 0.885 425 W HN 0.331 nan 8.180 nan 0.000 0.538 426 N N 0.093 118.987 118.700 0.322 0.000 2.364 426 N HA -0.145 4.587 4.740 -0.014 0.000 0.183 426 N C 1.324 176.937 175.510 0.170 0.000 1.022 426 N CA 1.937 55.191 53.050 0.342 0.000 0.883 426 N CB -0.433 38.309 38.487 0.426 0.000 0.965 426 N HN 0.373 nan 8.380 nan 0.000 0.438 427 Q N 0.180 120.006 119.800 0.043 0.000 2.451 427 Q HA 0.182 4.514 4.340 -0.014 0.000 0.206 427 Q C 1.321 177.209 176.000 -0.188 0.000 0.947 427 Q CA 0.357 56.145 55.803 -0.026 0.000 0.937 427 Q CB -0.154 28.582 28.738 -0.004 0.000 1.025 427 Q HN 0.353 nan 8.270 nan 0.000 0.511 428 G N 0.567 109.097 108.800 -0.450 0.000 2.627 428 G HA2 -0.380 3.571 3.960 -0.014 0.000 0.312 428 G HA3 -0.380 3.571 3.960 -0.014 0.000 0.312 428 G C 0.210 174.692 174.900 -0.696 0.000 1.299 428 G CA 0.643 45.305 45.100 -0.730 0.000 0.989 428 G HN 0.409 nan 8.290 nan 0.000 0.547 429 Y N 1.760 121.997 120.300 -0.105 0.000 2.490 429 Y HA 0.296 4.838 4.550 -0.014 0.000 0.281 429 Y C 2.882 178.720 175.900 -0.104 0.000 1.174 429 Y CA 1.084 59.073 58.100 -0.184 0.000 1.295 429 Y CB 0.016 38.236 38.460 -0.399 0.000 1.062 429 Y HN 0.552 nan 8.280 nan 0.000 0.522 430 S N -2.095 113.487 115.700 -0.196 0.000 2.522 430 S HA 0.028 4.490 4.470 -0.014 0.000 0.227 430 S C 0.915 175.390 174.600 -0.208 0.000 0.986 430 S CA 0.110 58.082 58.200 -0.379 0.000 0.929 430 S CB -0.039 62.431 63.200 -1.216 0.000 0.769 430 S HN 0.136 nan 8.310 nan 0.000 0.529 431 S N 1.415 117.044 115.700 -0.118 0.000 2.566 431 S HA 0.497 4.959 4.470 -0.014 0.000 0.324 431 S C -0.680 173.949 174.600 0.048 0.000 1.081 431 S CA -0.831 57.326 58.200 -0.072 0.000 1.105 431 S CB 0.381 63.571 63.200 -0.017 0.000 0.981 431 S HN 0.444 nan 8.310 nan 0.000 0.464 432 R N 3.982 124.483 120.500 0.002 0.000 2.278 432 R HA 0.297 4.629 4.340 -0.014 0.000 0.322 432 R C -0.498 175.847 176.300 0.075 0.000 1.058 432 R CA -0.204 55.980 56.100 0.140 0.000 0.991 432 R CB 0.386 30.803 30.300 0.195 0.000 1.140 432 R HN 0.600 nan 8.270 nan 0.000 0.518 433 F N 0.421 120.489 119.950 0.197 0.000 2.776 433 F HA 0.172 4.691 4.527 -0.014 0.000 0.300 433 F C 1.783 177.699 175.800 0.192 0.000 1.116 433 F CA -0.093 58.045 58.000 0.231 0.000 1.375 433 F CB 0.527 39.752 39.000 0.375 0.000 1.109 433 F HN 0.521 nan 8.300 nan 0.000 0.585 434 G N 0.237 109.252 108.800 0.358 0.000 2.491 434 G HA2 0.212 4.164 3.960 -0.014 0.000 0.242 434 G HA3 0.212 4.164 3.960 -0.014 0.000 0.242 434 G C 0.896 176.019 174.900 0.372 0.000 1.266 434 G CA -0.423 44.883 45.100 0.343 0.000 0.844 434 G HN 0.256 nan 8.290 nan 0.000 0.571 435 L N 0.426 121.853 121.223 0.339 0.000 2.240 435 L HA 0.197 4.529 4.340 -0.014 0.000 0.211 435 L C 0.270 177.238 176.870 0.163 0.000 1.106 435 L CA 0.508 55.490 54.840 0.237 0.000 0.793 435 L CB -0.136 42.027 42.059 0.173 0.000 0.927 435 L HN 0.320 nan 8.230 nan 0.000 0.446 436 F N -1.227 118.885 119.950 0.270 0.000 2.444 436 F HA 0.301 4.820 4.527 -0.014 0.000 0.342 436 F C 0.667 176.512 175.800 0.075 0.000 1.121 436 F CA -0.841 57.225 58.000 0.110 0.000 0.997 436 F CB 0.783 39.794 39.000 0.017 0.000 1.130 436 F HN -0.105 nan 8.300 nan 0.000 0.454 437 H N 3.468 122.403 119.070 -0.226 0.000 2.732 437 H HA 0.413 4.960 4.556 -0.014 0.000 0.351 437 H C -1.230 174.003 175.328 -0.158 0.000 1.090 437 H CA 0.188 56.043 56.048 -0.322 0.000 1.431 437 H CB 1.158 30.476 29.762 -0.740 0.000 1.447 437 H HN 0.398 nan 8.280 nan 0.000 0.582 438 V N 5.420 124.904 119.914 -0.717 0.000 2.588 438 V HA 0.036 4.147 4.120 -0.014 0.000 0.304 438 V C -0.087 175.379 176.094 -1.046 0.000 1.042 438 V CA -0.934 60.919 62.300 -0.746 0.000 0.877 438 V CB 1.785 33.143 31.823 -0.775 0.000 0.996 438 V HN 0.756 nan 8.190 nan 0.000 0.425 439 D N 3.286 123.333 120.400 -0.588 0.000 2.411 439 D HA 0.298 4.930 4.640 -0.014 0.000 0.225 439 D C 0.439 176.503 176.300 -0.393 0.000 1.156 439 D CA -0.307 53.483 54.000 -0.350 0.000 0.874 439 D CB 0.828 41.588 40.800 -0.067 0.000 1.034 439 D HN 0.356 nan 8.370 nan 0.000 0.502 440 F N 1.496 121.370 119.950 -0.126 0.000 2.748 440 F HA 0.040 4.559 4.527 -0.014 0.000 0.299 440 F C 2.101 177.836 175.800 -0.108 0.000 1.154 440 F CA 0.286 58.172 58.000 -0.190 0.000 1.446 440 F CB 0.148 38.910 39.000 -0.396 0.000 1.112 440 F HN 0.373 nan 8.300 nan 0.000 0.584 441 E N -0.510 119.734 120.200 0.074 0.000 2.385 441 E HA -0.060 4.282 4.350 -0.014 0.000 0.194 441 E C 0.234 176.852 176.600 0.031 0.000 1.013 441 E CA 0.336 56.773 56.400 0.062 0.000 0.866 441 E CB -0.084 29.657 29.700 0.067 0.000 0.832 441 E HN 0.226 nan 8.360 nan 0.000 0.500 442 D N 1.668 122.069 120.400 0.001 0.000 2.313 442 D HA 0.058 4.690 4.640 -0.014 0.000 0.239 442 D C -1.597 174.697 176.300 -0.011 0.000 1.142 442 D CA -2.351 51.643 54.000 -0.010 0.000 0.847 442 D CB 1.707 42.489 40.800 -0.030 0.000 1.082 442 D HN -0.176 nan 8.370 nan 0.000 0.480 443 P HA -0.098 nan 4.420 nan 0.000 0.221 443 P C 0.767 178.067 177.300 0.001 0.000 1.145 443 P CA 0.582 63.689 63.100 0.011 0.000 0.795 443 P CB 0.242 31.951 31.700 0.016 0.000 0.775 444 A N -0.271 122.540 122.820 -0.015 0.000 2.208 444 A HA 0.019 4.330 4.320 -0.014 0.000 0.209 444 A C 0.823 178.379 177.584 -0.047 0.000 1.161 444 A CA -0.037 51.984 52.037 -0.027 0.000 0.782 444 A CB -0.649 18.333 19.000 -0.031 0.000 0.816 444 A HN -0.069 nan 8.150 nan 0.000 0.477 445 R N -1.246 119.215 120.500 -0.064 0.000 3.225 445 R HA -0.131 4.201 4.340 -0.014 0.000 0.245 445 R C -2.566 173.652 176.300 -0.137 0.000 0.928 445 R CA 0.835 56.860 56.100 -0.125 0.000 0.632 445 R CB -2.491 27.753 30.300 -0.093 0.000 1.038 445 R HN 0.475 nan 8.270 nan 0.000 0.461 446 P HA 0.072 nan 4.420 nan 0.000 0.268 446 P C -0.191 177.050 177.300 -0.098 0.000 1.204 446 P CA 0.109 63.153 63.100 -0.092 0.000 0.768 446 P CB 0.555 32.217 31.700 -0.063 0.000 0.842 447 R N 1.806 122.254 120.500 -0.087 0.000 2.297 447 R HA 0.547 4.879 4.340 -0.014 0.000 0.308 447 R C -0.421 175.913 176.300 0.056 0.000 1.029 447 R CA -0.600 55.478 56.100 -0.035 0.000 0.929 447 R CB 0.940 31.165 30.300 -0.124 0.000 1.046 447 R HN 0.247 nan 8.270 nan 0.000 0.461 448 V N 4.997 124.982 119.914 0.119 0.000 2.638 448 V HA 0.417 4.529 4.120 -0.014 0.000 0.306 448 V C -2.237 173.860 176.094 0.005 0.000 1.052 448 V CA -2.193 60.147 62.300 0.067 0.000 0.885 448 V CB 2.214 34.001 31.823 -0.060 0.000 0.999 448 V HN 0.735 nan 8.190 nan 0.000 0.424 449 P HA 0.138 nan 4.420 nan 0.000 0.267 449 P C -0.906 176.176 177.300 -0.364 0.000 1.205 449 P CA 0.077 62.883 63.100 -0.490 0.000 0.765 449 P CB 0.417 31.855 31.700 -0.437 0.000 0.828 450 Y N 0.996 121.132 120.300 -0.272 0.000 2.258 450 Y HA 0.007 4.549 4.550 -0.013 0.000 0.345 450 Y C 2.542 178.314 175.900 -0.215 0.000 1.303 450 Y CA 0.514 58.519 58.100 -0.160 0.000 1.537 450 Y CB -0.411 38.007 38.460 -0.069 0.000 1.383 450 Y HN 0.319 nan 8.280 nan 0.000 0.606 451 T N -0.809 113.769 114.554 0.039 0.000 2.788 451 T HA -0.182 4.160 4.350 -0.014 0.000 0.268 451 T C 2.126 176.681 174.700 -0.242 0.000 1.044 451 T CA 1.768 63.801 62.100 -0.110 0.000 1.139 451 T CB -0.298 68.525 68.868 -0.075 0.000 0.867 451 T HN 0.621 nan 8.240 nan 0.000 0.454 452 S N 1.287 116.912 115.700 -0.126 0.000 2.380 452 S HA -0.208 4.254 4.470 -0.014 0.000 0.229 452 S C 2.490 176.879 174.600 -0.350 0.000 1.043 452 S CA 1.205 59.282 58.200 -0.205 0.000 1.038 452 S CB -0.588 62.672 63.200 0.100 0.000 0.872 452 S HN 0.631 nan 8.310 nan 0.000 0.456 453 A N 1.477 124.141 122.820 -0.260 0.000 1.883 453 A HA -0.162 4.150 4.320 -0.014 0.000 0.217 453 A C 2.259 179.670 177.584 -0.289 0.000 1.186 453 A CA 1.886 53.741 52.037 -0.303 0.000 0.624 453 A CB -0.695 17.892 19.000 -0.688 0.000 0.822 453 A HN 0.440 nan 8.150 nan 0.000 0.444 454 K N -0.284 119.918 120.400 -0.330 0.000 2.057 454 K HA -0.079 4.232 4.320 -0.014 0.000 0.207 454 K C 2.030 178.395 176.600 -0.391 0.000 1.049 454 K CA 1.417 57.524 56.287 -0.300 0.000 0.931 454 K CB -0.554 31.791 32.500 -0.258 0.000 0.714 454 K HN 0.690 nan 8.250 nan 0.000 0.440 455 E N -0.479 119.338 120.200 -0.638 0.000 2.072 455 E HA -0.104 4.237 4.350 -0.014 0.000 0.191 455 E C 1.946 178.105 176.600 -0.734 0.000 0.985 455 E CA 1.054 56.893 56.400 -0.934 0.000 0.801 455 E CB -0.451 28.024 29.700 -2.042 0.000 0.750 455 E HN 0.471 nan 8.360 nan 0.000 0.452 456 Y N 1.667 121.480 120.300 -0.811 0.000 2.165 456 Y HA -0.190 4.352 4.550 -0.013 0.000 0.286 456 Y C 2.270 177.983 175.900 -0.313 0.000 1.155 456 Y CA 1.072 58.983 58.100 -0.314 0.000 1.164 456 Y CB -0.686 37.706 38.460 -0.115 0.000 0.978 456 Y HN 0.004 nan 8.280 nan 0.000 0.513 457 A N 0.008 122.654 122.820 -0.291 0.000 1.940 457 A HA -0.216 4.096 4.320 -0.014 0.000 0.219 457 A C 2.286 179.672 177.584 -0.330 0.000 1.176 457 A CA 1.937 53.784 52.037 -0.316 0.000 0.631 457 A CB -0.503 18.376 19.000 -0.202 0.000 0.814 457 A HN 0.514 nan 8.150 nan 0.000 0.446 458 K N -0.429 119.790 120.400 -0.301 0.000 2.025 458 K HA -0.050 4.262 4.320 -0.014 0.000 0.207 458 K C 1.813 178.228 176.600 -0.309 0.000 1.049 458 K CA 1.280 57.414 56.287 -0.255 0.000 0.933 458 K CB -0.334 32.043 32.500 -0.205 0.000 0.714 458 K HN 0.356 nan 8.250 nan 0.000 0.438 459 I N 1.747 122.097 120.570 -0.366 0.000 2.145 459 I HA -0.311 3.850 4.170 -0.014 0.000 0.244 459 I C 2.360 177.950 176.117 -0.878 0.000 1.075 459 I CA 1.716 62.673 61.300 -0.572 0.000 1.332 459 I CB -0.998 36.595 38.000 -0.679 0.000 1.033 459 I HN 0.193 nan 8.210 nan 0.000 0.410 460 I N 0.034 120.007 120.570 -0.996 0.000 2.179 460 I HA -0.302 3.860 4.170 -0.014 0.000 0.242 460 I C 2.846 178.689 176.117 -0.457 0.000 1.088 460 I CA 1.246 61.952 61.300 -0.991 0.000 1.357 460 I CB -0.466 37.075 38.000 -0.764 0.000 1.051 460 I HN 0.200 nan 8.210 nan 0.000 0.409 461 R N 1.092 121.392 120.500 -0.333 0.000 2.091 461 R HA -0.168 4.163 4.340 -0.014 0.000 0.238 461 R C 1.753 177.971 176.300 -0.137 0.000 1.136 461 R CA 1.715 57.704 56.100 -0.185 0.000 0.959 461 R CB -0.087 30.115 30.300 -0.164 0.000 0.856 461 R HN 0.373 nan 8.270 nan 0.000 0.437 462 N N 0.798 119.395 118.700 -0.172 0.000 2.412 462 N HA -0.104 4.628 4.740 -0.014 0.000 0.184 462 N C -0.076 175.401 175.510 -0.055 0.000 1.101 462 N CA 0.396 53.384 53.050 -0.102 0.000 0.881 462 N CB -0.196 38.228 38.487 -0.105 0.000 0.969 462 N HN 0.198 nan 8.380 nan 0.000 0.459 463 N N 0.497 119.144 118.700 -0.089 0.000 2.714 463 N HA -0.186 4.546 4.740 -0.014 0.000 0.252 463 N C -0.077 175.517 175.510 0.140 0.000 1.014 463 N CA 1.131 54.241 53.050 0.100 0.000 0.735 463 N CB -1.096 37.550 38.487 0.265 0.000 0.924 463 N HN 0.529 nan 8.380 nan 0.000 0.540 464 G N -2.028 106.718 108.800 -0.091 0.000 2.343 464 G HA2 0.378 4.329 3.960 -0.014 0.000 0.289 464 G HA3 0.378 4.329 3.960 -0.014 0.000 0.289 464 G C -1.844 173.014 174.900 -0.069 0.000 1.295 464 G CA -0.591 44.541 45.100 0.053 0.000 0.869 464 G HN 0.274 nan 8.290 nan 0.000 0.522 465 L N 0.630 121.848 121.223 -0.008 0.000 2.313 465 L HA 0.836 5.167 4.340 -0.014 0.000 0.268 465 L C 1.174 178.022 176.870 -0.037 0.000 1.010 465 L CA -0.188 54.643 54.840 -0.015 0.000 0.814 465 L CB 0.860 42.934 42.059 0.024 0.000 1.304 465 L HN 1.190 nan 8.230 nan 0.000 0.441 466 E N 0.000 120.198 120.200 -0.004 0.000 2.725 466 E HA 0.000 4.342 4.350 -0.014 0.000 0.291 466 E CA 0.000 56.395 56.400 -0.009 0.000 0.976 466 E CB 0.000 29.711 29.700 0.018 0.000 0.812 466 E HN 0.000 nan 8.360 nan 0.000 0.440