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 1mo9_1_B DATA FIRST_RESID 2 DATA SEQUENCE KVWNARNDHL TINQWATRID EILEAPDGGE VIYNVDENDP REYDAIFIGG DATA SEQUENCE GAAGRFGSAY LRAMGGRQLI VDRWPFLGGS cPHNAcVPHH LFSDCAAELM DATA SEQUENCE LARTFSGQYW FPDMTEKVVG IKEVVDLFRA GRNGPHGIMN FQSKEQLNLE DATA SEQUENCE YILNCPAKVI DNHTVEAAGK VFKAKNLILA VGAGPGTLDV PGVNAKGVFD DATA SEQUENCE HATLVEELDY EPGSTVVVVG GSKTAVEYGC FFNATGRRTV MLVRTEPLKL DATA SEQUENCE IKDNETRAYV LDRMKEQGME IISGSNVTRI EEDANGRVQA VVAMTPNGEM DATA SEQUENCE RIETDFVFLG LGEQPRSAEL AKILGLDLGP KGEVLVNEYL QTSVPNVYAV DATA SEQUENCE GDLIGGPMEM FKARKSGCYA ARNVMGEKIS YTPKNYPDFL HTHYEVSFLG DATA SEQUENCE MGEEEARAAG HEIVTIKMPP DTENGLNVAL PASDRTMLYA FGKGTAHMSG DATA SEQUENCE FQKIVIDAKT RKVLGAHHVG YGAKDAFQYL NVLIKQGLTV DELGDMDELF DATA SEQUENCE LNPTHFIQLS RLRAGSKNLV SL 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.661 176.600 0.102 0.000 0.988 2 K CA 0.000 56.328 56.287 0.068 0.000 0.838 2 K CB 0.000 32.541 32.500 0.068 0.000 1.064 3 V N 4.191 124.162 119.914 0.095 0.000 2.495 3 V HA 0.515 4.637 4.120 0.003 0.000 0.298 3 V C -0.620 175.603 176.094 0.215 0.000 1.031 3 V CA -0.801 61.573 62.300 0.123 0.000 0.871 3 V CB 1.546 33.363 31.823 -0.010 0.000 0.988 3 V HN 0.734 nan 8.190 nan 0.000 0.432 4 W N 6.080 127.432 121.300 0.087 0.000 2.294 4 W HA 0.447 5.108 4.660 0.003 0.000 0.314 4 W C -0.095 176.516 176.519 0.153 0.000 1.044 4 W CA -1.223 56.178 57.345 0.093 0.000 1.284 4 W CB 0.854 30.368 29.460 0.090 0.000 1.231 4 W HN 0.576 nan 8.180 nan 0.000 0.419 5 N N 4.625 123.335 118.700 0.016 0.000 2.415 5 N HA 0.192 4.934 4.740 0.003 0.000 0.250 5 N C 0.324 175.553 175.510 -0.468 0.000 1.127 5 N CA 0.519 53.510 53.050 -0.099 0.000 0.945 5 N CB 1.380 39.907 38.487 0.067 0.000 1.196 5 N HN 0.626 nan 8.380 nan 0.000 0.499 6 A N 3.863 126.180 122.820 -0.838 0.000 2.308 6 A HA 0.053 4.374 4.320 0.003 0.000 0.217 6 A C 1.990 179.340 177.584 -0.390 0.000 1.216 6 A CA -0.117 51.399 52.037 -0.869 0.000 0.864 6 A CB 0.010 18.157 19.000 -1.423 0.000 0.902 6 A HN 0.623 nan 8.150 nan 0.000 0.499 7 R N 1.714 122.036 120.500 -0.297 0.000 2.113 7 R HA -0.143 4.199 4.340 0.003 0.000 0.244 7 R C 0.884 177.058 176.300 -0.210 0.000 1.142 7 R CA 2.321 58.288 56.100 -0.222 0.000 0.953 7 R CB -0.444 29.768 30.300 -0.146 0.000 0.860 7 R HN 0.520 nan 8.270 nan 0.000 0.438 8 N N 0.554 119.141 118.700 -0.187 0.000 2.322 8 N HA 0.009 4.750 4.740 0.003 0.000 0.194 8 N C -0.813 174.469 175.510 -0.380 0.000 1.126 8 N CA 0.211 53.132 53.050 -0.214 0.000 0.845 8 N CB 0.302 38.743 38.487 -0.075 0.000 0.976 8 N HN 0.217 nan 8.380 nan 0.000 0.475 9 D N 0.232 120.415 120.400 -0.363 0.000 2.193 9 D HA 0.220 4.862 4.640 0.003 0.000 0.249 9 D C 0.101 176.133 176.300 -0.447 0.000 1.034 9 D CA 0.167 54.009 54.000 -0.264 0.000 0.902 9 D CB 0.914 41.738 40.800 0.040 0.000 1.182 9 D HN 0.075 nan 8.370 nan 0.000 0.436 10 H N 2.007 121.128 119.070 0.084 0.000 2.448 10 H HA 0.232 4.790 4.556 0.003 0.000 0.237 10 H C -0.449 174.952 175.328 0.122 0.000 1.391 10 H CA -0.559 55.562 56.048 0.122 0.000 1.477 10 H CB 0.047 29.872 29.762 0.105 0.000 1.520 10 H HN 0.064 nan 8.280 nan 0.000 0.502 11 L N 2.018 123.312 121.223 0.118 0.000 2.439 11 L HA 0.111 4.452 4.340 0.003 0.000 0.269 11 L C 1.626 178.657 176.870 0.268 0.000 1.179 11 L CA 0.021 54.840 54.840 -0.034 0.000 0.828 11 L CB 0.605 42.286 42.059 -0.630 0.000 1.106 11 L HN 0.480 nan 8.230 nan 0.000 0.467 12 T N -1.170 113.492 114.554 0.179 0.000 2.732 12 T HA 0.324 4.676 4.350 0.003 0.000 0.287 12 T C 1.502 176.321 174.700 0.198 0.000 0.993 12 T CA -0.424 61.773 62.100 0.161 0.000 0.966 12 T CB 0.398 69.281 68.868 0.025 0.000 1.047 12 T HN 0.389 nan 8.240 nan 0.000 0.527 13 I N 1.034 121.549 120.570 -0.092 0.000 2.179 13 I HA -0.193 3.979 4.170 0.003 0.000 0.242 13 I C 2.678 178.859 176.117 0.106 0.000 1.088 13 I CA 1.698 62.990 61.300 -0.014 0.000 1.357 13 I CB -0.610 37.249 38.000 -0.235 0.000 1.051 13 I HN 0.714 nan 8.210 nan 0.000 0.409 14 N N 0.067 118.784 118.700 0.028 0.000 2.244 14 N HA -0.186 4.556 4.740 0.003 0.000 0.183 14 N C 1.843 177.393 175.510 0.068 0.000 1.016 14 N CA 0.754 53.826 53.050 0.036 0.000 0.866 14 N CB -0.036 38.448 38.487 -0.005 0.000 0.980 14 N HN 0.456 nan 8.380 nan 0.000 0.430 15 Q N -0.111 119.727 119.800 0.063 0.000 2.079 15 Q HA -0.137 4.205 4.340 0.003 0.000 0.200 15 Q C 1.557 177.596 176.000 0.065 0.000 0.974 15 Q CA 1.222 57.035 55.803 0.016 0.000 0.840 15 Q CB -0.133 28.575 28.738 -0.049 0.000 0.898 15 Q HN 0.507 nan 8.270 nan 0.000 0.430 16 W N 0.634 122.005 121.300 0.119 0.000 2.358 16 W HA -0.191 4.470 4.660 0.003 0.000 0.303 16 W C 2.539 179.128 176.519 0.117 0.000 1.208 16 W CA 0.996 58.439 57.345 0.162 0.000 1.274 16 W CB -0.142 29.441 29.460 0.205 0.000 1.138 16 W HN 0.177 nan 8.180 nan 0.000 0.515 17 A N -0.379 122.636 122.820 0.325 0.000 1.908 17 A HA -0.238 4.084 4.320 0.003 0.000 0.218 17 A C 1.813 179.482 177.584 0.141 0.000 1.181 17 A CA 2.514 54.663 52.037 0.186 0.000 0.627 17 A CB -1.285 17.769 19.000 0.090 0.000 0.818 17 A HN 0.254 nan 8.150 nan 0.000 0.445 18 T N -0.940 113.677 114.554 0.106 0.000 2.777 18 T HA -0.105 4.247 4.350 0.003 0.000 0.266 18 T C 2.115 176.855 174.700 0.067 0.000 1.040 18 T CA 1.624 63.759 62.100 0.058 0.000 1.141 18 T CB -0.206 68.672 68.868 0.017 0.000 0.868 18 T HN 0.493 nan 8.240 nan 0.000 0.444 19 R N 1.188 121.737 120.500 0.081 0.000 2.096 19 R HA 0.103 4.445 4.340 0.003 0.000 0.235 19 R C 2.106 178.507 176.300 0.170 0.000 1.127 19 R CA 1.249 57.387 56.100 0.063 0.000 0.968 19 R CB -0.866 29.433 30.300 -0.003 0.000 0.861 19 R HN 0.447 nan 8.270 nan 0.000 0.440 20 I N 0.089 120.817 120.570 0.264 0.000 2.252 20 I HA -0.203 3.969 4.170 0.003 0.000 0.245 20 I C 1.864 178.090 176.117 0.183 0.000 1.102 20 I CA 1.690 63.151 61.300 0.268 0.000 1.385 20 I CB -0.424 37.750 38.000 0.291 0.000 1.064 20 I HN 0.253 nan 8.210 nan 0.000 0.414 21 D N 1.095 121.578 120.400 0.139 0.000 2.117 21 D HA -0.222 4.419 4.640 0.003 0.000 0.197 21 D C 2.034 178.388 176.300 0.090 0.000 0.987 21 D CA 1.530 55.590 54.000 0.101 0.000 0.829 21 D CB 0.070 40.908 40.800 0.064 0.000 0.961 21 D HN 0.314 nan 8.370 nan 0.000 0.460 22 E N -0.313 119.931 120.200 0.074 0.000 2.077 22 E HA -0.142 4.209 4.350 0.003 0.000 0.193 22 E C 2.335 178.977 176.600 0.070 0.000 0.989 22 E CA 0.834 57.266 56.400 0.052 0.000 0.800 22 E CB -0.056 29.654 29.700 0.016 0.000 0.746 22 E HN 0.463 nan 8.360 nan 0.000 0.452 23 I N 0.768 121.398 120.570 0.100 0.000 2.353 23 I HA -0.228 3.944 4.170 0.003 0.000 0.248 23 I C 2.275 178.470 176.117 0.129 0.000 1.119 23 I CA 0.766 62.138 61.300 0.120 0.000 1.417 23 I CB -0.128 37.972 38.000 0.168 0.000 1.078 23 I HN 0.109 nan 8.210 nan 0.000 0.421 24 L N 0.279 121.588 121.223 0.144 0.000 2.056 24 L HA -0.140 4.202 4.340 0.003 0.000 0.207 24 L C 1.907 178.860 176.870 0.137 0.000 1.078 24 L CA 1.129 56.064 54.840 0.159 0.000 0.749 24 L CB -0.349 41.819 42.059 0.181 0.000 0.901 24 L HN 0.200 nan 8.230 nan 0.000 0.433 25 E N 0.525 120.791 120.200 0.111 0.000 2.403 25 E HA 0.165 4.516 4.350 0.003 0.000 0.187 25 E C 0.313 176.960 176.600 0.078 0.000 1.073 25 E CA -0.027 56.429 56.400 0.093 0.000 0.888 25 E CB 0.113 29.859 29.700 0.076 0.000 1.035 25 E HN 0.248 nan 8.360 nan 0.000 0.471 26 A N 2.040 124.909 122.820 0.081 0.000 2.354 26 A HA 0.333 4.654 4.320 0.003 0.000 0.281 26 A C -1.453 176.171 177.584 0.067 0.000 1.174 26 A CA -1.158 50.919 52.037 0.066 0.000 0.828 26 A CB 0.520 19.560 19.000 0.067 0.000 1.099 26 A HN -0.110 nan 8.150 nan 0.000 0.516 27 P HA -0.197 nan 4.420 nan 0.000 0.216 27 P C 0.682 178.013 177.300 0.052 0.000 1.153 27 P CA 1.785 64.916 63.100 0.053 0.000 0.858 27 P CB 0.088 31.814 31.700 0.043 0.000 0.789 28 D N -2.195 118.234 120.400 0.049 0.000 2.348 28 D HA 0.019 4.660 4.640 0.003 0.000 0.216 28 D C 1.501 177.835 176.300 0.057 0.000 0.970 28 D CA 1.211 55.240 54.000 0.048 0.000 0.889 28 D CB -0.856 39.970 40.800 0.043 0.000 0.912 28 D HN 0.305 nan 8.370 nan 0.000 0.524 29 G N -1.205 107.636 108.800 0.068 0.000 2.278 29 G HA2 0.112 4.074 3.960 0.003 0.000 0.210 29 G HA3 0.112 4.074 3.960 0.003 0.000 0.210 29 G C 0.758 175.712 174.900 0.092 0.000 1.000 29 G CA 0.143 45.291 45.100 0.079 0.000 0.635 29 G HN 1.375 nan 8.290 nan 0.000 0.495 30 G N -0.292 108.559 108.800 0.085 0.000 2.629 30 G HA2 0.444 4.406 3.960 0.003 0.000 0.686 30 G HA3 0.444 4.406 3.960 0.003 0.000 0.686 30 G C -0.303 174.663 174.900 0.111 0.000 1.232 30 G CA 0.618 45.778 45.100 0.098 0.000 0.803 30 G HN 1.774 nan 8.290 nan 0.000 0.638 31 E N -0.432 119.846 120.200 0.129 0.000 2.349 31 E HA 0.564 4.915 4.350 0.003 0.000 0.265 31 E C 0.200 176.936 176.600 0.226 0.000 1.064 31 E CA -0.952 55.547 56.400 0.163 0.000 0.886 31 E CB 1.607 31.410 29.700 0.171 0.000 1.036 31 E HN 0.526 nan 8.360 nan 0.000 0.413 32 V N 3.450 123.497 119.914 0.221 0.000 2.555 32 V HA 0.075 4.197 4.120 0.003 0.000 0.286 32 V C 0.432 176.721 176.094 0.326 0.000 1.044 32 V CA -0.180 62.261 62.300 0.234 0.000 1.026 32 V CB 0.462 32.398 31.823 0.188 0.000 0.981 32 V HN 0.583 nan 8.190 nan 0.000 0.480 33 I N 5.611 126.371 120.570 0.317 0.000 2.291 33 I HA 0.197 4.368 4.170 0.003 0.000 0.292 33 I C -0.689 175.538 176.117 0.183 0.000 1.064 33 I CA -0.206 61.271 61.300 0.295 0.000 1.269 33 I CB 0.118 38.342 38.000 0.374 0.000 1.418 33 I HN 0.564 nan 8.210 nan 0.000 0.485 34 Y N 6.921 127.168 120.300 -0.088 0.000 2.504 34 Y HA 0.290 4.841 4.550 0.003 0.000 0.339 34 Y C 0.066 175.830 175.900 -0.228 0.000 0.974 34 Y CA -0.704 57.337 58.100 -0.098 0.000 1.232 34 Y CB 0.662 39.098 38.460 -0.041 0.000 1.108 34 Y HN 0.527 nan 8.280 nan 0.000 0.509 35 N N 5.037 123.439 118.700 -0.497 0.000 2.918 35 N HA 0.356 5.098 4.740 0.003 0.000 0.270 35 N C -2.135 173.019 175.510 -0.594 0.000 1.536 35 N CA -0.180 52.517 53.050 -0.588 0.000 0.877 35 N CB 0.381 38.322 38.487 -0.911 0.000 1.190 35 N HN 0.253 nan 8.380 nan 0.000 0.492 36 V N 0.571 120.141 119.914 -0.574 0.000 2.715 36 V HA 0.374 4.496 4.120 0.003 0.000 0.310 36 V C -0.140 175.860 176.094 -0.157 0.000 1.054 36 V CA -1.072 61.006 62.300 -0.370 0.000 0.928 36 V CB 1.910 33.469 31.823 -0.440 0.000 1.007 36 V HN 0.409 nan 8.190 nan 0.000 0.437 37 D N 2.652 123.013 120.400 -0.065 0.000 2.325 37 D HA 0.125 4.767 4.640 0.003 0.000 0.251 37 D C 0.514 176.817 176.300 0.006 0.000 1.196 37 D CA -0.174 53.806 54.000 -0.033 0.000 0.866 37 D CB 1.452 42.235 40.800 -0.029 0.000 1.101 37 D HN 0.535 nan 8.370 nan 0.000 0.476 38 E N 2.790 123.000 120.200 0.017 0.000 2.489 38 E HA 0.027 4.379 4.350 0.003 0.000 0.193 38 E C 0.426 177.035 176.600 0.013 0.000 1.057 38 E CA 0.220 56.643 56.400 0.038 0.000 0.866 38 E CB 0.130 29.863 29.700 0.054 0.000 0.916 38 E HN 0.605 nan 8.360 nan 0.000 0.500 39 N N 0.455 119.153 118.700 -0.003 0.000 2.273 39 N HA -0.037 4.705 4.740 0.003 0.000 0.192 39 N C 0.217 175.713 175.510 -0.025 0.000 1.132 39 N CA -0.210 52.834 53.050 -0.011 0.000 0.887 39 N CB 0.742 39.224 38.487 -0.009 0.000 1.048 39 N HN -0.044 nan 8.380 nan 0.000 0.490 40 D N 2.633 123.010 120.400 -0.037 0.000 2.358 40 D HA 0.027 4.669 4.640 0.003 0.000 0.258 40 D C -1.317 174.937 176.300 -0.078 0.000 1.223 40 D CA -1.290 52.675 54.000 -0.059 0.000 0.886 40 D CB 1.386 42.140 40.800 -0.077 0.000 1.120 40 D HN 0.208 nan 8.370 nan 0.000 0.482 41 P HA 0.012 nan 4.420 nan 0.000 0.230 41 P C 0.268 177.520 177.300 -0.080 0.000 1.168 41 P CA 0.070 63.133 63.100 -0.061 0.000 0.793 41 P CB 0.618 32.294 31.700 -0.039 0.000 0.851 42 R N 1.199 121.645 120.500 -0.090 0.000 2.756 42 R HA 0.126 4.468 4.340 0.003 0.000 0.264 42 R C 0.755 176.963 176.300 -0.153 0.000 1.026 42 R CA 0.133 56.177 56.100 -0.092 0.000 1.121 42 R CB 0.315 30.571 30.300 -0.074 0.000 0.999 42 R HN 0.211 nan 8.270 nan 0.000 0.449 43 E N 1.938 122.080 120.200 -0.096 0.000 2.249 43 E HA 0.046 4.398 4.350 0.003 0.000 0.280 43 E C -0.868 175.701 176.600 -0.051 0.000 1.016 43 E CA -0.649 55.698 56.400 -0.088 0.000 0.830 43 E CB 0.590 30.294 29.700 0.006 0.000 1.081 43 E HN 0.301 nan 8.360 nan 0.000 0.395 44 Y N 3.374 123.715 120.300 0.068 0.000 2.805 44 Y HA -0.140 4.411 4.550 0.003 0.000 0.331 44 Y C 1.341 177.267 175.900 0.043 0.000 1.241 44 Y CA 0.493 58.628 58.100 0.057 0.000 1.546 44 Y CB 0.327 38.826 38.460 0.066 0.000 1.248 44 Y HN 0.628 nan 8.280 nan 0.000 0.559 45 D N 2.122 122.644 120.400 0.203 0.000 2.178 45 D HA 0.056 4.698 4.640 0.003 0.000 0.202 45 D C 0.283 176.619 176.300 0.060 0.000 0.974 45 D CA 1.319 55.383 54.000 0.108 0.000 0.841 45 D CB 0.355 41.205 40.800 0.084 0.000 0.953 45 D HN 0.521 nan 8.370 nan 0.000 0.478 46 A N 0.158 123.020 122.820 0.071 0.000 2.577 46 A HA 0.538 4.860 4.320 0.003 0.000 0.297 46 A C -1.273 176.250 177.584 -0.102 0.000 1.060 46 A CA -0.596 51.382 52.037 -0.099 0.000 0.697 46 A CB 1.140 19.951 19.000 -0.315 0.000 1.281 46 A HN 0.004 nan 8.150 nan 0.000 0.402 47 I N 1.929 122.388 120.570 -0.185 0.000 2.339 47 I HA 0.388 4.559 4.170 0.003 0.000 0.290 47 I C -1.132 174.874 176.117 -0.186 0.000 0.994 47 I CA -0.383 60.817 61.300 -0.165 0.000 1.191 47 I CB 1.258 39.164 38.000 -0.156 0.000 1.343 47 I HN 0.557 nan 8.210 nan 0.000 0.458 48 F N 6.461 126.326 119.950 -0.141 0.000 2.411 48 F HA 0.318 4.847 4.527 0.003 0.000 0.355 48 F C 0.439 176.184 175.800 -0.093 0.000 1.117 48 F CA -0.605 57.340 58.000 -0.091 0.000 1.139 48 F CB 0.692 39.647 39.000 -0.075 0.000 1.120 48 F HN 0.189 nan 8.300 nan 0.000 0.493 49 I N 4.092 124.693 120.570 0.053 0.000 2.278 49 I HA 0.403 4.574 4.170 0.003 0.000 0.296 49 I C 0.591 176.729 176.117 0.034 0.000 1.121 49 I CA -0.196 61.112 61.300 0.013 0.000 1.267 49 I CB -0.560 37.433 38.000 -0.013 0.000 1.447 49 I HN 0.693 nan 8.210 nan 0.000 0.509 50 G N 3.980 112.792 108.800 0.021 0.000 3.055 50 G HA2 0.074 4.036 3.960 0.003 0.000 0.685 50 G HA3 0.074 4.036 3.960 0.003 0.000 0.685 50 G C 0.000 174.920 174.900 0.033 0.000 1.212 50 G CA -0.534 44.572 45.100 0.010 0.000 0.822 50 G HN 0.865 nan 8.290 nan 0.000 0.610 51 G N 0.528 109.322 108.800 -0.009 0.000 4.222 51 G HA2 0.685 4.646 3.960 0.003 0.000 0.301 51 G HA3 0.685 4.646 3.960 0.003 0.000 0.301 51 G C 0.875 175.784 174.900 0.015 0.000 1.171 51 G CA 0.959 46.036 45.100 -0.038 0.000 0.937 51 G HN 1.301 nan 8.290 nan 0.000 0.557 52 G N 0.075 108.923 108.800 0.080 0.000 2.546 52 G HA2 0.441 4.403 3.960 0.003 0.000 0.239 52 G HA3 0.441 4.403 3.960 0.003 0.000 0.239 52 G C 1.564 176.546 174.900 0.136 0.000 1.476 52 G CA 0.461 45.646 45.100 0.142 0.000 1.064 52 G HN 0.422 nan 8.290 nan 0.000 0.561 53 A N -0.527 122.378 122.820 0.142 0.000 1.873 53 A HA 0.036 4.358 4.320 0.003 0.000 0.218 53 A C 2.758 180.422 177.584 0.134 0.000 1.193 53 A CA 3.224 55.338 52.037 0.129 0.000 0.629 53 A CB -1.137 17.882 19.000 0.031 0.000 0.826 53 A HN 1.275 nan 8.150 nan 0.000 0.447 54 A N -0.906 121.970 122.820 0.093 0.000 1.873 54 A HA 0.191 4.512 4.320 0.003 0.000 0.215 54 A C 2.463 180.140 177.584 0.155 0.000 1.186 54 A CA 1.905 54.009 52.037 0.112 0.000 0.616 54 A CB -1.421 17.636 19.000 0.095 0.000 0.823 54 A HN 0.783 nan 8.150 nan 0.000 0.442 55 G N -0.793 108.085 108.800 0.130 0.000 2.418 55 G HA2 -0.232 3.729 3.960 0.003 0.000 0.217 55 G HA3 -0.232 3.729 3.960 0.003 0.000 0.217 55 G C 1.778 176.526 174.900 -0.254 0.000 1.158 55 G CA 1.020 46.151 45.100 0.050 0.000 0.771 55 G HN 0.524 nan 8.290 nan 0.000 0.545 56 R N -0.854 119.592 120.500 -0.090 0.000 2.066 56 R HA 0.040 4.382 4.340 0.003 0.000 0.232 56 R C 2.320 178.529 176.300 -0.152 0.000 1.131 56 R CA 1.092 57.107 56.100 -0.142 0.000 0.955 56 R CB -0.356 29.923 30.300 -0.035 0.000 0.851 56 R HN 0.387 nan 8.270 nan 0.000 0.432 57 F N -0.249 119.637 119.950 -0.106 0.000 2.146 57 F HA -0.018 4.511 4.527 0.003 0.000 0.298 57 F C 2.405 178.178 175.800 -0.045 0.000 1.096 57 F CA 1.461 59.435 58.000 -0.043 0.000 1.275 57 F CB -0.511 38.494 39.000 0.008 0.000 1.008 57 F HN 0.215 nan 8.300 nan 0.000 0.480 58 G N -1.064 107.787 108.800 0.085 0.000 2.440 58 G HA2 -0.246 3.716 3.960 0.003 0.000 0.218 58 G HA3 -0.246 3.716 3.960 0.003 0.000 0.218 58 G C 1.841 176.652 174.900 -0.149 0.000 1.154 58 G CA 1.174 46.335 45.100 0.103 0.000 0.767 58 G HN 0.330 nan 8.290 nan 0.000 0.552 59 S N 0.954 116.217 115.700 -0.728 0.000 2.368 59 S HA 0.036 4.508 4.470 0.003 0.000 0.224 59 S C 2.811 177.273 174.600 -0.231 0.000 1.029 59 S CA 1.121 58.935 58.200 -0.644 0.000 0.988 59 S CB -0.384 62.360 63.200 -0.760 0.000 0.838 59 S HN 0.589 nan 8.310 nan 0.000 0.462 60 A N 0.360 123.050 122.820 -0.217 0.000 1.908 60 A HA -0.150 4.171 4.320 0.003 0.000 0.218 60 A C 1.981 179.512 177.584 -0.088 0.000 1.181 60 A CA 1.611 53.541 52.037 -0.178 0.000 0.627 60 A CB -0.925 17.899 19.000 -0.294 0.000 0.818 60 A HN 0.560 nan 8.150 nan 0.000 0.445 61 Y N -0.315 119.927 120.300 -0.097 0.000 2.220 61 Y HA -0.075 4.477 4.550 0.003 0.000 0.291 61 Y C 2.146 178.033 175.900 -0.022 0.000 1.129 61 Y CA 1.608 59.685 58.100 -0.038 0.000 1.161 61 Y CB -0.220 38.246 38.460 0.010 0.000 0.997 61 Y HN 0.291 nan 8.280 nan 0.000 0.522 62 L N -0.151 121.197 121.223 0.207 0.000 2.042 62 L HA -0.264 4.078 4.340 0.003 0.000 0.210 62 L C 2.605 179.510 176.870 0.058 0.000 1.076 62 L CA 1.869 56.806 54.840 0.162 0.000 0.749 62 L CB -0.287 41.903 42.059 0.218 0.000 0.893 62 L HN 0.127 nan 8.230 nan 0.000 0.432 63 R N 0.317 120.821 120.500 0.007 0.000 2.081 63 R HA -0.114 4.228 4.340 0.003 0.000 0.235 63 R C 2.133 178.392 176.300 -0.068 0.000 1.131 63 R CA 1.678 57.762 56.100 -0.027 0.000 0.960 63 R CB -0.739 29.528 30.300 -0.055 0.000 0.856 63 R HN 0.489 nan 8.270 nan 0.000 0.436 64 A N 0.181 122.926 122.820 -0.126 0.000 1.972 64 A HA -0.137 4.184 4.320 0.003 0.000 0.219 64 A C 2.100 179.586 177.584 -0.163 0.000 1.169 64 A CA 1.711 53.636 52.037 -0.186 0.000 0.635 64 A CB -0.470 18.333 19.000 -0.329 0.000 0.810 64 A HN 0.422 nan 8.150 nan 0.000 0.446 65 M N -1.590 117.935 119.600 -0.125 0.000 2.619 65 M HA 0.115 4.597 4.480 0.003 0.000 0.251 65 M C 1.382 177.664 176.300 -0.031 0.000 1.106 65 M CA 0.921 56.184 55.300 -0.063 0.000 1.086 65 M CB 0.115 32.725 32.600 0.016 0.000 1.465 65 M HN 0.657 nan 8.290 nan 0.000 0.506 66 G N 0.175 108.957 108.800 -0.031 0.000 2.144 66 G HA2 -0.152 3.810 3.960 0.003 0.000 0.218 66 G HA3 -0.152 3.810 3.960 0.003 0.000 0.218 66 G C 0.199 175.101 174.900 0.003 0.000 0.988 66 G CA -0.299 44.790 45.100 -0.018 0.000 0.659 66 G HN 0.614 nan 8.290 nan 0.000 0.522 67 G N -0.885 107.928 108.800 0.021 0.000 2.535 67 G HA2 0.647 4.609 3.960 0.003 0.000 0.303 67 G HA3 0.647 4.609 3.960 0.003 0.000 0.303 67 G C -0.183 174.755 174.900 0.063 0.000 1.237 67 G CA -0.422 44.704 45.100 0.044 0.000 0.986 67 G HN 0.472 nan 8.290 nan 0.000 0.494 68 R N -0.170 120.389 120.500 0.099 0.000 2.445 68 R HA 0.495 4.836 4.340 0.003 0.000 0.308 68 R C -0.739 175.734 176.300 0.289 0.000 0.961 68 R CA -0.559 55.637 56.100 0.160 0.000 0.862 68 R CB 1.345 31.709 30.300 0.106 0.000 1.144 68 R HN 0.668 nan 8.270 nan 0.000 0.447 69 Q N 3.062 123.032 119.800 0.283 0.000 2.528 69 Q HA 0.610 4.952 4.340 0.003 0.000 0.289 69 Q C -1.825 174.160 176.000 -0.025 0.000 1.091 69 Q CA -1.008 54.927 55.803 0.221 0.000 0.797 69 Q CB 1.838 30.713 28.738 0.228 0.000 1.466 69 Q HN 0.412 nan 8.270 nan 0.000 0.436 70 L N 0.696 121.779 121.223 -0.232 0.000 2.505 70 L HA 0.645 4.987 4.340 0.003 0.000 0.266 70 L C -1.913 174.835 176.870 -0.204 0.000 0.954 70 L CA -0.520 54.034 54.840 -0.477 0.000 0.852 70 L CB 1.896 43.220 42.059 -1.226 0.000 1.282 70 L HN 0.872 nan 8.230 nan 0.000 0.403 71 I N 5.100 125.577 120.570 -0.155 0.000 2.392 71 I HA 0.599 4.771 4.170 0.003 0.000 0.295 71 I C -0.781 175.267 176.117 -0.115 0.000 0.985 71 I CA -0.936 60.315 61.300 -0.081 0.000 1.221 71 I CB 1.930 39.875 38.000 -0.093 0.000 1.366 71 I HN 0.290 nan 8.210 nan 0.000 0.467 72 V N 5.117 124.976 119.914 -0.092 0.000 2.482 72 V HA 0.412 4.534 4.120 0.003 0.000 0.295 72 V C -0.756 175.293 176.094 -0.076 0.000 1.026 72 V CA -0.552 61.690 62.300 -0.098 0.000 0.856 72 V CB 1.886 33.642 31.823 -0.111 0.000 1.001 72 V HN 0.689 nan 8.190 nan 0.000 0.424 73 D N 3.148 123.496 120.400 -0.087 0.000 2.738 73 D HA 0.328 4.970 4.640 0.003 0.000 0.237 73 D C 0.854 177.081 176.300 -0.122 0.000 1.123 73 D CA -0.644 53.288 54.000 -0.113 0.000 0.856 73 D CB 2.626 43.343 40.800 -0.137 0.000 1.552 73 D HN 0.616 nan 8.370 nan 0.000 0.480 74 R N 1.558 121.953 120.500 -0.175 0.000 2.235 74 R HA 0.030 4.372 4.340 0.003 0.000 0.213 74 R C 0.470 176.669 176.300 -0.169 0.000 1.059 74 R CA 0.119 56.110 56.100 -0.182 0.000 0.997 74 R CB 0.181 30.328 30.300 -0.255 0.000 0.884 74 R HN 0.266 nan 8.270 nan 0.000 0.462 75 W N 2.279 123.359 121.300 -0.367 0.000 2.303 75 W HA 0.266 4.928 4.660 0.003 0.000 0.334 75 W C -1.807 174.367 176.519 -0.574 0.000 1.197 75 W CA -2.753 54.217 57.345 -0.624 0.000 1.262 75 W CB 0.965 29.662 29.460 -1.272 0.000 1.153 75 W HN -0.097 nan 8.180 nan 0.000 0.596 76 P HA -0.011 nan 4.420 nan 0.000 0.256 76 P C -0.672 176.597 177.300 -0.052 0.000 1.335 76 P CA 0.607 63.689 63.100 -0.030 0.000 0.808 76 P CB -0.276 31.503 31.700 0.131 0.000 1.305 77 F N -2.109 117.734 119.950 -0.178 0.000 2.662 77 F HA 0.600 5.129 4.527 0.003 0.000 0.312 77 F C -1.296 174.333 175.800 -0.285 0.000 1.113 77 F CA -1.997 55.814 58.000 -0.316 0.000 0.951 77 F CB 0.500 39.185 39.000 -0.525 0.000 1.344 77 F HN -0.391 nan 8.300 nan 0.000 0.462 78 L N 0.720 121.922 121.223 -0.035 0.000 2.352 78 L HA 0.756 5.097 4.340 0.003 0.000 0.269 78 L C 0.849 177.824 176.870 0.175 0.000 1.034 78 L CA -0.195 54.605 54.840 -0.065 0.000 0.806 78 L CB 1.534 43.427 42.059 -0.276 0.000 1.244 78 L HN 1.179 nan 8.230 nan 0.000 0.447 79 G N 0.113 109.010 108.800 0.161 0.000 2.352 79 G HA2 0.069 4.031 3.960 0.003 0.000 0.204 79 G HA3 0.069 4.031 3.960 0.003 0.000 0.204 79 G C 0.550 175.620 174.900 0.282 0.000 1.004 79 G CA -0.184 45.047 45.100 0.219 0.000 0.648 79 G HN 1.436 nan 8.290 nan 0.000 0.491 80 G N -0.214 108.818 108.800 0.386 0.000 2.553 80 G HA2 0.101 4.062 3.960 0.003 0.000 0.242 80 G HA3 0.101 4.062 3.960 0.003 0.000 0.242 80 G C 1.459 176.697 174.900 0.564 0.000 1.277 80 G CA 2.136 47.526 45.100 0.485 0.000 0.910 80 G HN 2.010 nan 8.290 nan 0.000 0.576 81 S N -1.029 115.009 115.700 0.563 0.000 2.383 81 S HA -0.146 4.325 4.470 0.003 0.000 0.227 81 S C 2.522 177.341 174.600 0.365 0.000 1.026 81 S CA 2.391 60.913 58.200 0.536 0.000 0.981 81 S CB -1.017 62.479 63.200 0.494 0.000 0.818 81 S HN 1.816 nan 8.310 nan 0.000 0.472 82 c N 3.604 122.365 118.600 0.269 0.000 2.376 82 c HA -0.021 4.550 4.570 0.003 0.000 0.275 82 c C 0.068 174.259 174.090 0.168 0.000 1.200 82 c CA 1.684 58.127 56.329 0.189 0.000 1.756 82 c CB -1.362 41.230 42.510 0.136 0.000 2.050 82 c HN 0.591 nan 8.230 nan 0.000 0.460 83 P HA -0.067 nan 4.420 nan 0.000 0.227 83 P C 0.847 178.246 177.300 0.165 0.000 1.161 83 P CA 1.741 64.898 63.100 0.094 0.000 0.788 83 P CB -0.271 31.444 31.700 0.024 0.000 0.822 84 H N 1.249 120.398 119.070 0.132 0.000 2.451 84 H HA 0.040 4.598 4.556 0.003 0.000 0.294 84 H C 1.038 176.581 175.328 0.358 0.000 1.028 84 H CA 1.768 57.887 56.048 0.117 0.000 1.349 84 H CB 0.202 29.823 29.762 -0.234 0.000 1.444 84 H HN 0.163 nan 8.280 nan 0.000 0.538 85 N N -1.869 117.042 118.700 0.352 0.000 1.958 85 N HA 0.221 4.963 4.740 0.003 0.000 0.223 85 N C -0.050 175.714 175.510 0.423 0.000 1.395 85 N CA 0.415 53.668 53.050 0.339 0.000 0.737 85 N CB 0.170 38.892 38.487 0.393 0.000 1.155 85 N HN 0.220 nan 8.380 nan 0.000 0.529 86 A N 0.438 123.440 122.820 0.303 0.000 3.078 86 A HA 0.391 4.713 4.320 0.003 0.000 0.206 86 A C 1.757 179.466 177.584 0.208 0.000 1.967 86 A CA 0.519 52.699 52.037 0.237 0.000 1.845 86 A CB -0.786 18.326 19.000 0.187 0.000 1.345 86 A HN 0.363 nan 8.150 nan 0.000 0.393 87 c N -0.115 118.613 118.600 0.214 0.000 2.413 87 c HA -0.013 4.559 4.570 0.003 0.000 0.276 87 c C 2.419 176.571 174.090 0.104 0.000 1.248 87 c CA 0.803 57.304 56.329 0.287 0.000 1.742 87 c CB -1.761 40.881 42.510 0.221 0.000 2.017 87 c HN 0.349 nan 8.230 nan 0.000 0.481 88 V N 3.196 123.096 119.914 -0.023 0.000 2.237 88 V HA -0.148 3.973 4.120 0.003 0.000 0.245 88 V C 0.531 176.418 176.094 -0.345 0.000 1.046 88 V CA 2.754 64.976 62.300 -0.131 0.000 1.007 88 V CB -1.946 29.862 31.823 -0.024 0.000 0.638 88 V HN 0.375 nan 8.190 nan 0.000 0.445 89 P HA -0.231 nan 4.420 nan 0.000 0.217 89 P C 1.539 178.066 177.300 -1.289 0.000 1.150 89 P CA 2.230 64.474 63.100 -1.427 0.000 0.832 89 P CB -0.253 30.301 31.700 -1.909 0.000 0.787 90 H N 0.506 119.182 119.070 -0.656 0.000 2.352 90 H HA -0.185 4.372 4.556 0.003 0.000 0.299 90 H C 2.025 177.058 175.328 -0.491 0.000 1.097 90 H CA 1.829 57.588 56.048 -0.483 0.000 1.311 90 H CB -1.397 28.338 29.762 -0.045 0.000 1.377 90 H HN 0.254 nan 8.280 nan 0.000 0.504 91 H N -0.864 117.750 119.070 -0.760 0.000 2.428 91 H HA -0.064 4.493 4.556 0.003 0.000 0.296 91 H C 2.245 177.261 175.328 -0.520 0.000 1.062 91 H CA 1.024 56.661 56.048 -0.685 0.000 1.350 91 H CB 0.146 29.630 29.762 -0.464 0.000 1.403 91 H HN 0.362 nan 8.280 nan 0.000 0.533 92 L N 0.519 121.458 121.223 -0.472 0.000 2.056 92 L HA -0.108 4.233 4.340 0.003 0.000 0.207 92 L C 1.981 178.605 176.870 -0.409 0.000 1.078 92 L CA 1.398 55.986 54.840 -0.421 0.000 0.749 92 L CB -0.850 40.912 42.059 -0.495 0.000 0.901 92 L HN 0.092 nan 8.230 nan 0.000 0.433 93 F N -1.116 118.458 119.950 -0.627 0.000 2.186 93 F HA -0.175 4.354 4.527 0.003 0.000 0.299 93 F C 2.453 177.896 175.800 -0.595 0.000 1.090 93 F CA 0.762 58.170 58.000 -0.987 0.000 1.307 93 F CB -0.433 37.740 39.000 -1.380 0.000 1.019 93 F HN 0.045 nan 8.300 nan 0.000 0.489 94 S N -0.288 115.205 115.700 -0.344 0.000 2.402 94 S HA -0.170 4.302 4.470 0.003 0.000 0.229 94 S C 1.364 175.844 174.600 -0.201 0.000 1.021 94 S CA 1.176 59.175 58.200 -0.335 0.000 0.974 94 S CB -0.306 62.410 63.200 -0.808 0.000 0.800 94 S HN 0.285 nan 8.310 nan 0.000 0.484 95 D N 0.875 121.153 120.400 -0.204 0.000 2.117 95 D HA -0.064 4.578 4.640 0.003 0.000 0.197 95 D C 1.991 178.284 176.300 -0.011 0.000 0.987 95 D CA 0.829 54.773 54.000 -0.092 0.000 0.829 95 D CB -0.360 40.384 40.800 -0.094 0.000 0.961 95 D HN 0.343 nan 8.370 nan 0.000 0.460 96 C N 0.546 119.856 119.300 0.017 0.000 2.429 96 C HA -0.006 4.456 4.460 0.003 0.000 0.277 96 C C 2.833 177.931 174.990 0.181 0.000 1.262 96 C CA 0.689 59.788 59.018 0.135 0.000 1.733 96 C CB -1.069 26.828 27.740 0.262 0.000 2.010 96 C HN 0.363 nan 8.230 nan 0.000 0.483 97 A N 0.603 123.537 122.820 0.190 0.000 1.902 97 A HA 0.034 4.356 4.320 0.003 0.000 0.217 97 A C 2.352 180.055 177.584 0.198 0.000 1.181 97 A CA 2.166 54.318 52.037 0.191 0.000 0.623 97 A CB -0.838 18.206 19.000 0.073 0.000 0.818 97 A HN 0.576 nan 8.150 nan 0.000 0.443 98 A N -0.675 122.230 122.820 0.141 0.000 1.897 98 A HA -0.085 4.237 4.320 0.003 0.000 0.215 98 A C 1.959 179.593 177.584 0.083 0.000 1.181 98 A CA 1.530 53.653 52.037 0.143 0.000 0.620 98 A CB -0.379 18.696 19.000 0.125 0.000 0.821 98 A HN 0.425 nan 8.150 nan 0.000 0.443 99 E N 0.110 120.348 120.200 0.064 0.000 2.106 99 E HA -0.117 4.235 4.350 0.003 0.000 0.192 99 E C 2.026 178.684 176.600 0.096 0.000 0.984 99 E CA 0.848 57.294 56.400 0.077 0.000 0.806 99 E CB -0.388 29.363 29.700 0.084 0.000 0.750 99 E HN 0.658 nan 8.360 nan 0.000 0.458 100 L N 0.285 121.566 121.223 0.097 0.000 2.093 100 L HA -0.081 4.260 4.340 0.003 0.000 0.208 100 L C 2.682 179.568 176.870 0.027 0.000 1.085 100 L CA 0.790 55.672 54.840 0.070 0.000 0.755 100 L CB -0.284 41.818 42.059 0.071 0.000 0.904 100 L HN 0.153 nan 8.230 nan 0.000 0.435 101 M N -0.470 119.155 119.600 0.042 0.000 2.159 101 M HA -0.245 4.237 4.480 0.003 0.000 0.263 101 M C 2.207 178.518 176.300 0.019 0.000 1.063 101 M CA 1.736 57.016 55.300 -0.033 0.000 1.110 101 M CB 0.022 32.574 32.600 -0.080 0.000 1.374 101 M HN 0.227 nan 8.290 nan 0.000 0.411 102 L N 0.746 122.015 121.223 0.076 0.000 2.017 102 L HA -0.052 4.289 4.340 0.003 0.000 0.208 102 L C 2.506 179.233 176.870 -0.238 0.000 1.073 102 L CA 2.237 57.090 54.840 0.022 0.000 0.745 102 L CB -0.954 41.094 42.059 -0.018 0.000 0.894 102 L HN 0.340 nan 8.230 nan 0.000 0.432 103 A N -0.527 122.170 122.820 -0.205 0.000 1.933 103 A HA -0.212 4.110 4.320 0.003 0.000 0.218 103 A C 2.406 179.862 177.584 -0.214 0.000 1.175 103 A CA 1.811 53.687 52.037 -0.268 0.000 0.628 103 A CB -0.547 18.488 19.000 0.060 0.000 0.814 103 A HN 0.518 nan 8.150 nan 0.000 0.444 104 R N -1.151 119.266 120.500 -0.138 0.000 2.115 104 R HA -0.045 4.297 4.340 0.003 0.000 0.226 104 R C 2.148 178.332 176.300 -0.193 0.000 1.100 104 R CA 1.587 57.609 56.100 -0.130 0.000 0.980 104 R CB -0.571 29.665 30.300 -0.106 0.000 0.875 104 R HN 0.503 nan 8.270 nan 0.000 0.445 105 T N 0.371 114.778 114.554 -0.245 0.000 2.821 105 T HA -0.074 4.278 4.350 0.003 0.000 0.267 105 T C 0.811 175.114 174.700 -0.662 0.000 1.046 105 T CA 1.193 63.045 62.100 -0.414 0.000 1.139 105 T CB -0.064 68.579 68.868 -0.376 0.000 0.871 105 T HN 0.119 nan 8.240 nan 0.000 0.454 106 F N 1.438 121.189 119.950 -0.332 0.000 2.750 106 F HA 0.405 4.933 4.527 0.002 0.000 0.297 106 F C 1.057 176.706 175.800 -0.252 0.000 1.138 106 F CA -0.720 57.087 58.000 -0.322 0.000 1.346 106 F CB 0.086 38.785 39.000 -0.503 0.000 0.965 106 F HN -0.063 nan 8.300 nan 0.000 0.514 107 S N 0.826 116.459 115.700 -0.112 0.000 2.626 107 S HA 0.288 4.760 4.470 0.003 0.000 0.303 107 S C 1.336 175.936 174.600 -0.000 0.000 1.256 107 S CA 0.949 59.128 58.200 -0.035 0.000 1.069 107 S CB 0.080 63.247 63.200 -0.056 0.000 0.807 107 S HN 0.972 nan 8.310 nan 0.000 0.500 108 G N 3.570 112.392 108.800 0.037 0.000 2.160 108 G HA2 -0.216 3.746 3.960 0.003 0.000 0.251 108 G HA3 -0.216 3.746 3.960 0.003 0.000 0.251 108 G C -0.201 174.679 174.900 -0.034 0.000 1.008 108 G CA 0.477 45.581 45.100 0.006 0.000 0.724 108 G HN 0.814 nan 8.290 nan 0.000 0.514 109 Q N -1.485 118.311 119.800 -0.007 0.000 2.347 109 Q HA 0.610 4.952 4.340 0.003 0.000 0.271 109 Q C 0.689 176.596 176.000 -0.154 0.000 1.064 109 Q CA -0.959 54.717 55.803 -0.211 0.000 0.800 109 Q CB 1.889 30.517 28.738 -0.183 0.000 1.304 109 Q HN 0.436 nan 8.270 nan 0.000 0.438 110 Y N -1.124 119.158 120.300 -0.029 0.000 2.865 110 Y HA -0.438 4.114 4.550 0.002 0.000 0.468 110 Y C 0.951 176.809 175.900 -0.070 0.000 1.176 110 Y CA 1.701 59.751 58.100 -0.083 0.000 2.599 110 Y CB -1.237 37.029 38.460 -0.323 0.000 1.207 110 Y HN 0.881 nan 8.280 nan 0.000 0.627 111 W N -0.285 121.010 121.300 -0.007 0.000 3.290 111 W HA 0.526 5.188 4.660 0.002 0.000 0.287 111 W C -0.454 175.956 176.519 -0.181 0.000 1.288 111 W CA -0.799 56.453 57.345 -0.156 0.000 1.725 111 W CB -0.457 28.840 29.460 -0.272 0.000 1.103 111 W HN 0.044 nan 8.180 nan 0.000 0.670 112 F N 5.111 124.858 119.950 -0.338 0.000 2.438 112 F HA 0.327 4.855 4.527 0.002 0.000 0.356 112 F C -1.091 174.678 175.800 -0.052 0.000 1.099 112 F CA -2.914 54.964 58.000 -0.205 0.000 1.185 112 F CB 0.002 38.854 39.000 -0.247 0.000 1.115 112 F HN -0.245 nan 8.300 nan 0.000 0.526 113 P HA -0.007 nan 4.420 nan 0.000 0.275 113 P C -0.723 176.629 177.300 0.087 0.000 1.266 113 P CA -0.400 62.767 63.100 0.112 0.000 0.793 113 P CB 0.811 32.573 31.700 0.103 0.000 1.074 114 D N 0.926 121.356 120.400 0.050 0.000 2.339 114 D HA 0.094 4.735 4.640 0.003 0.000 0.256 114 D C 0.757 177.069 176.300 0.019 0.000 1.214 114 D CA -0.012 54.003 54.000 0.025 0.000 0.877 114 D CB 0.261 41.069 40.800 0.013 0.000 1.111 114 D HN 0.075 nan 8.370 nan 0.000 0.478 115 M N 2.626 122.229 119.600 0.006 0.000 2.371 115 M HA 0.001 4.483 4.480 0.003 0.000 0.246 115 M C 1.637 177.926 176.300 -0.018 0.000 1.103 115 M CA 0.067 55.365 55.300 -0.004 0.000 1.010 115 M CB -0.613 31.978 32.600 -0.014 0.000 1.457 115 M HN 0.309 nan 8.290 nan 0.000 0.486 116 T N 2.042 116.584 114.554 -0.019 0.000 2.531 116 T HA -0.223 4.128 4.350 0.003 0.000 0.261 116 T C 1.059 175.745 174.700 -0.022 0.000 1.141 116 T CA 1.830 63.916 62.100 -0.023 0.000 1.176 116 T CB -0.167 68.690 68.868 -0.019 0.000 0.863 116 T HN 0.498 nan 8.240 nan 0.000 0.424 117 E N 0.480 120.671 120.200 -0.016 0.000 2.609 117 E HA 0.206 4.558 4.350 0.003 0.000 0.208 117 E C -0.319 176.271 176.600 -0.015 0.000 1.013 117 E CA -0.276 56.114 56.400 -0.016 0.000 1.093 117 E CB 0.560 30.252 29.700 -0.013 0.000 1.129 117 E HN 0.081 nan 8.360 nan 0.000 0.450 118 K N 1.366 121.757 120.400 -0.016 0.000 2.248 118 K HA 0.220 4.542 4.320 0.003 0.000 0.281 118 K C -1.002 175.582 176.600 -0.026 0.000 1.054 118 K CA -0.406 55.873 56.287 -0.014 0.000 0.903 118 K CB 0.862 33.360 32.500 -0.003 0.000 1.077 118 K HN -0.141 nan 8.250 nan 0.000 0.474 119 V N 5.801 125.696 119.914 -0.031 0.000 2.357 119 V HA 0.315 4.437 4.120 0.003 0.000 0.284 119 V C -0.396 175.666 176.094 -0.054 0.000 1.018 119 V CA -1.072 61.197 62.300 -0.052 0.000 0.841 119 V CB 1.579 33.369 31.823 -0.056 0.000 0.991 119 V HN 0.554 nan 8.190 nan 0.000 0.437 120 V N 3.723 123.596 119.914 -0.069 0.000 2.649 120 V HA 0.419 4.541 4.120 0.003 0.000 0.292 120 V C 1.152 177.194 176.094 -0.085 0.000 1.055 120 V CA -0.126 62.140 62.300 -0.057 0.000 1.023 120 V CB 1.456 33.251 31.823 -0.048 0.000 0.992 120 V HN 0.964 nan 8.190 nan 0.000 0.480 121 G N 3.404 112.174 108.800 -0.050 0.000 2.360 121 G HA2 0.355 4.317 3.960 0.003 0.000 0.279 121 G HA3 0.355 4.317 3.960 0.003 0.000 0.279 121 G C 0.770 175.636 174.900 -0.057 0.000 1.189 121 G CA -0.341 44.719 45.100 -0.066 0.000 0.941 121 G HN 0.741 nan 8.290 nan 0.000 0.445 122 I N 1.717 122.202 120.570 -0.142 0.000 2.252 122 I HA -0.142 4.030 4.170 0.003 0.000 0.245 122 I C 2.729 178.815 176.117 -0.052 0.000 1.102 122 I CA 1.111 62.348 61.300 -0.105 0.000 1.385 122 I CB -0.015 37.799 38.000 -0.311 0.000 1.064 122 I HN 0.566 nan 8.210 nan 0.000 0.414 123 K N 1.166 121.491 120.400 -0.125 0.000 2.097 123 K HA -0.197 4.124 4.320 0.003 0.000 0.206 123 K C 1.952 178.559 176.600 0.011 0.000 1.049 123 K CA 1.360 57.601 56.287 -0.076 0.000 0.933 123 K CB 0.032 32.469 32.500 -0.106 0.000 0.717 123 K HN 0.296 nan 8.250 nan 0.000 0.442 124 E N -0.003 120.207 120.200 0.018 0.000 2.077 124 E HA -0.171 4.181 4.350 0.003 0.000 0.193 124 E C 1.925 178.581 176.600 0.092 0.000 0.989 124 E CA 1.469 57.898 56.400 0.048 0.000 0.800 124 E CB 0.109 29.832 29.700 0.039 0.000 0.746 124 E HN 0.150 nan 8.360 nan 0.000 0.452 125 V N 0.655 120.651 119.914 0.136 0.000 2.379 125 V HA -0.178 3.943 4.120 0.003 0.000 0.245 125 V C 2.342 178.598 176.094 0.269 0.000 1.044 125 V CA 1.008 63.431 62.300 0.205 0.000 1.036 125 V CB -0.196 31.803 31.823 0.294 0.000 0.664 125 V HN 0.104 nan 8.190 nan 0.000 0.453 126 V N 0.271 120.333 119.914 0.246 0.000 2.343 126 V HA -0.238 3.883 4.120 0.003 0.000 0.247 126 V C 2.271 178.520 176.094 0.259 0.000 1.051 126 V CA 2.102 64.594 62.300 0.321 0.000 1.036 126 V CB -0.659 31.284 31.823 0.200 0.000 0.654 126 V HN 0.534 nan 8.190 nan 0.000 0.451 127 D N -0.177 120.314 120.400 0.152 0.000 2.178 127 D HA -0.133 4.509 4.640 0.003 0.000 0.201 127 D C 1.931 178.280 176.300 0.080 0.000 0.980 127 D CA 0.978 55.037 54.000 0.099 0.000 0.842 127 D CB -0.240 40.599 40.800 0.064 0.000 0.948 127 D HN 0.362 nan 8.370 nan 0.000 0.472 128 L N -0.027 121.259 121.223 0.105 0.000 2.046 128 L HA -0.104 4.238 4.340 0.003 0.000 0.208 128 L C 2.075 178.982 176.870 0.061 0.000 1.077 128 L CA 1.478 56.362 54.840 0.072 0.000 0.747 128 L CB -0.827 41.284 42.059 0.087 0.000 0.896 128 L HN 0.027 nan 8.230 nan 0.000 0.432 129 F N 0.244 120.182 119.950 -0.019 0.000 2.102 129 F HA -0.206 4.323 4.527 0.003 0.000 0.298 129 F C 2.538 178.289 175.800 -0.083 0.000 1.105 129 F CA 1.590 59.539 58.000 -0.086 0.000 1.239 129 F CB -0.184 38.749 39.000 -0.111 0.000 0.991 129 F HN -0.021 nan 8.300 nan 0.000 0.474 130 R N 0.297 120.668 120.500 -0.215 0.000 2.105 130 R HA -0.142 4.199 4.340 0.003 0.000 0.239 130 R C 2.377 178.523 176.300 -0.257 0.000 1.135 130 R CA 1.209 57.131 56.100 -0.297 0.000 0.967 130 R CB -0.747 29.526 30.300 -0.045 0.000 0.861 130 R HN 0.423 nan 8.270 nan 0.000 0.442 131 A N -0.080 122.647 122.820 -0.155 0.000 2.066 131 A HA -0.000 4.321 4.320 0.003 0.000 0.218 131 A C 1.908 179.400 177.584 -0.152 0.000 1.157 131 A CA 1.523 53.492 52.037 -0.113 0.000 0.670 131 A CB -0.129 18.838 19.000 -0.055 0.000 0.804 131 A HN 0.458 nan 8.150 nan 0.000 0.453 132 G N -0.651 108.011 108.800 -0.230 0.000 3.228 132 G HA2 0.147 4.108 3.960 0.003 0.000 0.245 132 G HA3 0.147 4.108 3.960 0.003 0.000 0.245 132 G C 1.288 175.982 174.900 -0.344 0.000 1.051 132 G CA 0.414 45.378 45.100 -0.225 0.000 0.809 132 G HN 0.621 nan 8.290 nan 0.000 0.531 133 R N 0.384 120.539 120.500 -0.576 0.000 2.189 133 R HA 0.063 4.404 4.340 0.003 0.000 0.223 133 R C 1.371 177.268 176.300 -0.672 0.000 1.092 133 R CA 1.006 56.656 56.100 -0.751 0.000 0.989 133 R CB -0.358 29.227 30.300 -1.191 0.000 0.876 133 R HN 0.040 nan 8.270 nan 0.000 0.457 134 N N 0.940 119.422 118.700 -0.362 0.000 2.512 134 N HA -0.057 4.685 4.740 0.003 0.000 0.183 134 N C 1.644 177.070 175.510 -0.140 0.000 1.073 134 N CA 1.162 54.117 53.050 -0.157 0.000 0.911 134 N CB 0.005 38.484 38.487 -0.013 0.000 0.964 134 N HN 0.512 nan 8.380 nan 0.000 0.447 135 G N 2.183 110.866 108.800 -0.195 0.000 2.453 135 G HA2 -0.151 3.811 3.960 0.003 0.000 0.215 135 G HA3 -0.151 3.811 3.960 0.003 0.000 0.215 135 G C -0.714 174.104 174.900 -0.137 0.000 1.201 135 G CA 0.456 45.480 45.100 -0.128 0.000 0.784 135 G HN 0.300 nan 8.290 nan 0.000 0.545 136 P HA -0.101 nan 4.420 nan 0.000 0.216 136 P C 1.447 178.665 177.300 -0.137 0.000 1.150 136 P CA 1.120 64.103 63.100 -0.195 0.000 0.837 136 P CB -0.076 31.465 31.700 -0.266 0.000 0.786 137 H N -1.125 117.831 119.070 -0.189 0.000 2.421 137 H HA -0.021 4.537 4.556 0.003 0.000 0.298 137 H C 2.217 177.495 175.328 -0.084 0.000 1.087 137 H CA 1.706 57.627 56.048 -0.212 0.000 1.330 137 H CB -1.219 28.326 29.762 -0.363 0.000 1.388 137 H HN 0.143 nan 8.280 nan 0.000 0.526 138 G N 0.698 109.557 108.800 0.098 0.000 2.402 138 G HA2 -0.160 3.802 3.960 0.003 0.000 0.216 138 G HA3 -0.160 3.802 3.960 0.003 0.000 0.216 138 G C 1.893 176.854 174.900 0.103 0.000 1.162 138 G CA 0.697 45.891 45.100 0.157 0.000 0.777 138 G HN 0.345 nan 8.290 nan 0.000 0.539 139 I N 0.579 121.181 120.570 0.054 0.000 2.286 139 I HA -0.169 4.003 4.170 0.003 0.000 0.248 139 I C 2.829 179.000 176.117 0.089 0.000 1.115 139 I CA 0.778 62.122 61.300 0.073 0.000 1.392 139 I CB -0.195 37.818 38.000 0.022 0.000 1.065 139 I HN 0.116 nan 8.210 nan 0.000 0.418 140 M N 0.158 119.766 119.600 0.014 0.000 2.132 140 M HA -0.162 4.319 4.480 0.003 0.000 0.263 140 M C 1.970 178.173 176.300 -0.162 0.000 1.065 140 M CA 1.755 57.033 55.300 -0.037 0.000 1.122 140 M CB -1.523 31.073 32.600 -0.006 0.000 1.365 140 M HN 0.332 nan 8.290 nan 0.000 0.411 141 N N -0.485 118.030 118.700 -0.307 0.000 2.188 141 N HA -0.166 4.575 4.740 0.003 0.000 0.184 141 N C 1.707 176.910 175.510 -0.511 0.000 1.018 141 N CA 1.007 53.649 53.050 -0.680 0.000 0.858 141 N CB -0.132 37.544 38.487 -1.352 0.000 0.989 141 N HN 0.180 nan 8.380 nan 0.000 0.426 142 F N 2.250 121.948 119.950 -0.420 0.000 2.060 142 F HA -0.168 4.361 4.527 0.003 0.000 0.295 142 F C 2.747 178.550 175.800 0.005 0.000 1.120 142 F CA 1.387 59.364 58.000 -0.037 0.000 1.205 142 F CB -0.515 38.572 39.000 0.145 0.000 0.986 142 F HN -0.045 nan 8.300 nan 0.000 0.470 143 Q N 0.128 119.999 119.800 0.118 0.000 2.112 143 Q HA -0.214 4.127 4.340 0.003 0.000 0.206 143 Q C 2.241 178.152 176.000 -0.148 0.000 0.987 143 Q CA 2.338 58.127 55.803 -0.023 0.000 0.858 143 Q CB -0.277 28.509 28.738 0.080 0.000 0.905 143 Q HN 0.501 nan 8.270 nan 0.000 0.420 144 S N 0.348 115.979 115.700 -0.115 0.000 2.368 144 S HA -0.144 4.328 4.470 0.003 0.000 0.225 144 S C 1.745 176.331 174.600 -0.023 0.000 1.030 144 S CA 1.470 59.621 58.200 -0.082 0.000 0.999 144 S CB -0.129 63.017 63.200 -0.089 0.000 0.844 144 S HN 0.344 nan 8.310 nan 0.000 0.459 145 K N 0.748 121.144 120.400 -0.008 0.000 2.044 145 K HA 0.011 4.332 4.320 0.003 0.000 0.204 145 K C 1.753 178.267 176.600 -0.142 0.000 1.045 145 K CA 0.906 57.164 56.287 -0.048 0.000 0.951 145 K CB 0.039 32.556 32.500 0.028 0.000 0.738 145 K HN 0.055 nan 8.250 nan 0.000 0.443 146 E N 0.542 120.565 120.200 -0.295 0.000 2.216 146 E HA -0.102 4.250 4.350 0.003 0.000 0.192 146 E C 1.863 178.278 176.600 -0.309 0.000 0.988 146 E CA 1.058 57.242 56.400 -0.360 0.000 0.834 146 E CB 0.240 29.525 29.700 -0.692 0.000 0.772 146 E HN 0.447 nan 8.360 nan 0.000 0.479 147 Q N -0.424 119.191 119.800 -0.309 0.000 2.390 147 Q HA 0.225 4.567 4.340 0.003 0.000 0.216 147 Q C 1.938 177.855 176.000 -0.138 0.000 0.916 147 Q CA 0.165 55.859 55.803 -0.181 0.000 0.911 147 Q CB 0.567 29.227 28.738 -0.130 0.000 1.035 147 Q HN 0.163 nan 8.270 nan 0.000 0.541 148 L N 0.932 122.068 121.223 -0.145 0.000 2.607 148 L HA 0.134 4.476 4.340 0.003 0.000 0.228 148 L C -0.321 176.478 176.870 -0.117 0.000 1.123 148 L CA -0.175 54.583 54.840 -0.136 0.000 0.890 148 L CB -0.014 41.951 42.059 -0.158 0.000 1.103 148 L HN 0.214 nan 8.230 nan 0.000 0.468 149 N N 1.116 119.749 118.700 -0.112 0.000 2.727 149 N HA -0.177 4.564 4.740 0.003 0.000 0.249 149 N C -0.326 175.130 175.510 -0.091 0.000 1.048 149 N CA 0.815 53.807 53.050 -0.096 0.000 0.714 149 N CB -1.590 36.848 38.487 -0.082 0.000 0.959 149 N HN 0.357 nan 8.380 nan 0.000 0.544 150 L N 0.178 121.347 121.223 -0.090 0.000 2.399 150 L HA 0.371 4.712 4.340 0.003 0.000 0.265 150 L C 0.905 177.687 176.870 -0.147 0.000 1.089 150 L CA -0.507 54.288 54.840 -0.076 0.000 0.802 150 L CB 0.985 43.030 42.059 -0.024 0.000 1.180 150 L HN 0.010 nan 8.230 nan 0.000 0.454 151 E N 0.794 120.915 120.200 -0.132 0.000 2.179 151 E HA 0.527 4.879 4.350 0.003 0.000 0.275 151 E C -1.757 174.733 176.600 -0.184 0.000 0.945 151 E CA -0.494 55.764 56.400 -0.237 0.000 0.792 151 E CB 2.026 31.663 29.700 -0.104 0.000 1.125 151 E HN 0.401 nan 8.360 nan 0.000 0.397 152 Y N -0.432 119.721 120.300 -0.244 0.000 2.641 152 Y HA 0.566 5.118 4.550 0.003 0.000 0.333 152 Y C -1.573 174.168 175.900 -0.264 0.000 1.174 152 Y CA -1.304 56.642 58.100 -0.256 0.000 1.057 152 Y CB 0.800 39.132 38.460 -0.213 0.000 1.322 152 Y HN 0.332 nan 8.280 nan 0.000 0.457 153 I N 3.961 124.558 120.570 0.045 0.000 2.439 153 I HA 0.468 4.640 4.170 0.003 0.000 0.285 153 I C -0.920 175.234 176.117 0.061 0.000 1.021 153 I CA -0.586 60.735 61.300 0.036 0.000 1.091 153 I CB 1.513 39.492 38.000 -0.035 0.000 1.242 153 I HN 0.535 nan 8.210 nan 0.000 0.439 154 L N 4.798 126.086 121.223 0.108 0.000 2.304 154 L HA 0.519 4.860 4.340 0.003 0.000 0.268 154 L C 0.643 177.554 176.870 0.068 0.000 1.010 154 L CA -0.907 53.950 54.840 0.029 0.000 0.813 154 L CB 0.950 42.996 42.059 -0.021 0.000 1.315 154 L HN 0.659 nan 8.230 nan 0.000 0.445 155 N N 0.102 118.813 118.700 0.020 0.000 2.740 155 N HA -0.210 4.532 4.740 0.003 0.000 0.248 155 N C -1.093 174.449 175.510 0.053 0.000 1.062 155 N CA 0.606 53.686 53.050 0.050 0.000 0.704 155 N CB -0.699 37.857 38.487 0.116 0.000 0.968 155 N HN 0.729 nan 8.380 nan 0.000 0.547 156 C N 0.847 120.158 119.300 0.019 0.000 2.924 156 C HA 0.493 4.954 4.460 0.003 0.000 0.400 156 C C -2.598 172.386 174.990 -0.010 0.000 1.032 156 C CA -1.200 57.834 59.018 0.026 0.000 1.236 156 C CB 1.169 28.951 27.740 0.070 0.000 1.660 156 C HN 0.403 nan 8.230 nan 0.000 0.510 157 P HA 0.333 nan 4.420 nan 0.000 0.271 157 P C -0.363 176.928 177.300 -0.016 0.000 1.218 157 P CA 0.337 63.412 63.100 -0.043 0.000 0.780 157 P CB 0.925 32.597 31.700 -0.046 0.000 0.901 158 A N 3.778 126.582 122.820 -0.027 0.000 2.327 158 A HA 0.355 4.676 4.320 0.003 0.000 0.283 158 A C 0.117 177.705 177.584 0.006 0.000 1.127 158 A CA -0.460 51.572 52.037 -0.007 0.000 0.810 158 A CB 0.192 19.178 19.000 -0.024 0.000 1.066 158 A HN 0.462 nan 8.150 nan 0.000 0.492 159 K N 2.171 122.590 120.400 0.032 0.000 2.473 159 K HA 0.406 4.727 4.320 0.003 0.000 0.246 159 K C -1.295 175.330 176.600 0.042 0.000 1.011 159 K CA -0.463 55.845 56.287 0.035 0.000 0.984 159 K CB 1.713 34.241 32.500 0.048 0.000 1.250 159 K HN 0.388 nan 8.250 nan 0.000 0.454 160 V N 5.414 125.343 119.914 0.026 0.000 2.439 160 V HA 0.077 4.199 4.120 0.003 0.000 0.271 160 V C 1.388 177.503 176.094 0.034 0.000 1.040 160 V CA 0.152 62.469 62.300 0.029 0.000 1.002 160 V CB 0.171 32.002 31.823 0.013 0.000 1.000 160 V HN 0.731 nan 8.190 nan 0.000 0.477 161 I N 3.266 123.865 120.570 0.048 0.000 2.364 161 I HA 0.105 4.276 4.170 0.003 0.000 0.241 161 I C 0.675 176.820 176.117 0.048 0.000 1.082 161 I CA 0.830 62.158 61.300 0.047 0.000 1.401 161 I CB 0.205 38.238 38.000 0.056 0.000 1.126 161 I HN 0.806 nan 8.210 nan 0.000 0.429 162 D N -1.695 118.743 120.400 0.064 0.000 2.664 162 D HA 0.044 4.686 4.640 0.003 0.000 0.292 162 D C -0.056 176.295 176.300 0.084 0.000 1.214 162 D CA -0.770 53.276 54.000 0.076 0.000 0.932 162 D CB -0.087 40.769 40.800 0.093 0.000 1.420 162 D HN 0.156 nan 8.370 nan 0.000 0.471 163 N N -1.357 117.407 118.700 0.105 0.000 2.666 163 N HA -0.158 4.584 4.740 0.003 0.000 0.194 163 N C -0.109 175.316 175.510 -0.141 0.000 1.220 163 N CA 0.546 53.608 53.050 0.020 0.000 0.928 163 N CB -0.249 38.258 38.487 0.034 0.000 0.997 163 N HN 0.360 nan 8.380 nan 0.000 0.447 164 H N -1.762 117.332 119.070 0.040 0.000 3.650 164 H HA 0.231 4.789 4.556 0.003 0.000 0.260 164 H C -0.775 174.596 175.328 0.072 0.000 1.194 164 H CA -0.126 55.955 56.048 0.055 0.000 1.135 164 H CB 1.185 30.977 29.762 0.050 0.000 1.612 164 H HN 0.088 nan 8.280 nan 0.000 0.703 165 T N 1.039 115.687 114.554 0.158 0.000 2.886 165 T HA 0.642 4.994 4.350 0.003 0.000 0.292 165 T C -0.863 173.907 174.700 0.117 0.000 1.012 165 T CA -0.667 61.517 62.100 0.140 0.000 0.982 165 T CB 2.480 71.418 68.868 0.116 0.000 1.018 165 T HN -0.128 nan 8.240 nan 0.000 0.451 166 V N 2.389 122.396 119.914 0.155 0.000 2.808 166 V HA 0.430 4.551 4.120 0.003 0.000 0.308 166 V C -0.621 175.611 176.094 0.230 0.000 1.099 166 V CA -0.987 61.401 62.300 0.146 0.000 0.920 166 V CB 2.252 34.135 31.823 0.100 0.000 1.014 166 V HN 0.873 nan 8.190 nan 0.000 0.425 167 E N 2.572 122.876 120.200 0.173 0.000 2.175 167 E HA 0.791 5.143 4.350 0.003 0.000 0.278 167 E C -0.406 176.321 176.600 0.211 0.000 0.969 167 E CA -0.436 56.082 56.400 0.197 0.000 0.796 167 E CB 2.136 31.903 29.700 0.111 0.000 1.104 167 E HN 0.903 nan 8.360 nan 0.000 0.395 168 A N 1.696 124.712 122.820 0.327 0.000 2.547 168 A HA 0.623 4.944 4.320 0.003 0.000 0.297 168 A C -0.100 177.688 177.584 0.341 0.000 1.056 168 A CA -0.013 52.184 52.037 0.266 0.000 0.688 168 A CB 1.399 20.492 19.000 0.155 0.000 1.282 168 A HN 0.871 nan 8.150 nan 0.000 0.400 169 A N 0.370 123.323 122.820 0.221 0.000 2.826 169 A HA 0.279 4.601 4.320 0.003 0.000 0.274 169 A C 2.102 179.757 177.584 0.118 0.000 1.443 169 A CA 2.178 54.328 52.037 0.189 0.000 0.833 169 A CB -1.792 17.385 19.000 0.295 0.000 1.023 169 A HN 3.191 nan 8.150 nan 0.000 0.600 170 G N -2.386 106.478 108.800 0.106 0.000 2.162 170 G HA2 -0.286 3.675 3.960 0.003 0.000 0.260 170 G HA3 -0.286 3.675 3.960 0.003 0.000 0.260 170 G C 0.130 175.051 174.900 0.035 0.000 0.976 170 G CA 1.392 46.525 45.100 0.054 0.000 0.655 170 G HN 1.157 nan 8.290 nan 0.000 0.533 171 K N -1.013 119.432 120.400 0.075 0.000 2.313 171 K HA 0.767 5.089 4.320 0.003 0.000 0.235 171 K C -0.551 176.007 176.600 -0.070 0.000 1.035 171 K CA -0.925 55.325 56.287 -0.061 0.000 0.868 171 K CB 2.595 34.978 32.500 -0.194 0.000 1.232 171 K HN 0.046 nan 8.250 nan 0.000 0.459 172 V N 2.247 122.004 119.914 -0.262 0.000 2.487 172 V HA 0.434 4.555 4.120 0.003 0.000 0.298 172 V C -1.204 174.712 176.094 -0.296 0.000 1.028 172 V CA -0.750 61.475 62.300 -0.125 0.000 0.860 172 V CB 0.689 32.482 31.823 -0.050 0.000 0.991 172 V HN 0.506 nan 8.190 nan 0.000 0.427 173 F N 3.450 123.462 119.950 0.104 0.000 2.492 173 F HA 0.694 5.223 4.527 0.003 0.000 0.327 173 F C 0.396 176.279 175.800 0.139 0.000 1.079 173 F CA -0.878 57.210 58.000 0.146 0.000 0.967 173 F CB 1.716 40.813 39.000 0.161 0.000 1.169 173 F HN 0.189 nan 8.300 nan 0.000 0.472 174 K N 1.559 122.166 120.400 0.345 0.000 2.208 174 K HA 0.918 5.240 4.320 0.003 0.000 0.247 174 K C -0.986 175.794 176.600 0.301 0.000 0.953 174 K CA -0.853 55.588 56.287 0.256 0.000 0.837 174 K CB 2.201 34.804 32.500 0.171 0.000 1.131 174 K HN 0.759 nan 8.250 nan 0.000 0.431 175 A N 1.360 124.323 122.820 0.238 0.000 2.594 175 A HA 0.372 4.693 4.320 0.003 0.000 0.295 175 A C 0.111 177.795 177.584 0.167 0.000 1.071 175 A CA -0.636 51.523 52.037 0.204 0.000 0.685 175 A CB 1.162 20.243 19.000 0.135 0.000 1.285 175 A HN 0.617 nan 8.150 nan 0.000 0.405 176 K N 0.347 120.830 120.400 0.139 0.000 2.155 176 K HA 0.038 4.360 4.320 0.003 0.000 0.203 176 K C 0.201 176.791 176.600 -0.017 0.000 1.052 176 K CA 1.045 57.417 56.287 0.142 0.000 0.948 176 K CB 0.034 32.600 32.500 0.111 0.000 0.728 176 K HN 0.629 nan 8.250 nan 0.000 0.448 177 N N -0.079 118.585 118.700 -0.061 0.000 2.525 177 N HA 0.380 5.122 4.740 0.003 0.000 0.270 177 N C -1.355 174.071 175.510 -0.140 0.000 1.321 177 N CA -0.575 52.414 53.050 -0.102 0.000 0.797 177 N CB 2.205 40.682 38.487 -0.018 0.000 1.529 177 N HN -0.132 nan 8.380 nan 0.000 0.491 178 L N 1.492 122.645 121.223 -0.116 0.000 2.386 178 L HA 0.606 4.947 4.340 0.003 0.000 0.271 178 L C -0.634 176.158 176.870 -0.131 0.000 0.993 178 L CA -0.658 54.097 54.840 -0.142 0.000 0.819 178 L CB 2.148 44.146 42.059 -0.101 0.000 1.294 178 L HN 0.376 nan 8.230 nan 0.000 0.414 179 I N 4.422 124.818 120.570 -0.290 0.000 2.420 179 I HA 0.299 4.471 4.170 0.003 0.000 0.282 179 I C -0.432 175.609 176.117 -0.127 0.000 1.019 179 I CA -0.449 60.690 61.300 -0.269 0.000 1.130 179 I CB 1.571 39.151 38.000 -0.699 0.000 1.262 179 I HN 0.364 nan 8.210 nan 0.000 0.454 180 L N 6.350 127.558 121.223 -0.025 0.000 2.315 180 L HA 0.457 4.799 4.340 0.003 0.000 0.283 180 L C 0.715 177.608 176.870 0.038 0.000 1.089 180 L CA -0.058 54.784 54.840 0.004 0.000 0.833 180 L CB 0.798 42.860 42.059 0.005 0.000 1.170 180 L HN 0.729 nan 8.230 nan 0.000 0.442 181 A N 3.196 126.049 122.820 0.055 0.000 2.992 181 A HA 0.350 4.671 4.320 0.003 0.000 0.263 181 A C 0.684 178.297 177.584 0.049 0.000 0.928 181 A CA -0.292 51.791 52.037 0.076 0.000 1.061 181 A CB 0.266 19.353 19.000 0.146 0.000 1.173 181 A HN 0.586 nan 8.150 nan 0.000 0.482 182 V N -2.745 117.180 119.914 0.019 0.000 3.623 182 V HA 0.480 4.601 4.120 0.003 0.000 0.271 182 V C 1.267 177.360 176.094 -0.002 0.000 1.248 182 V CA 0.568 62.863 62.300 -0.008 0.000 1.156 182 V CB -1.543 30.262 31.823 -0.030 0.000 0.870 182 V HN 1.749 nan 8.190 nan 0.000 0.453 183 G N 0.438 109.250 108.800 0.021 0.000 2.564 183 G HA2 0.147 4.109 3.960 0.003 0.000 0.273 183 G HA3 0.147 4.109 3.960 0.003 0.000 0.273 183 G C 0.078 174.991 174.900 0.021 0.000 1.242 183 G CA 0.311 45.429 45.100 0.031 0.000 0.951 183 G HN 1.965 nan 8.290 nan 0.000 0.564 184 A N -1.441 121.402 122.820 0.039 0.000 2.527 184 A HA 1.016 5.338 4.320 0.003 0.000 0.293 184 A C 0.292 177.915 177.584 0.066 0.000 1.117 184 A CA 0.659 52.718 52.037 0.037 0.000 0.723 184 A CB 1.476 20.494 19.000 0.029 0.000 1.313 184 A HN 2.457 nan 8.150 nan 0.000 0.411 185 G N -0.464 108.369 108.800 0.055 0.000 2.511 185 G HA2 0.670 4.632 3.960 0.003 0.000 0.318 185 G HA3 0.670 4.632 3.960 0.003 0.000 0.318 185 G C -3.166 171.791 174.900 0.095 0.000 1.210 185 G CA -1.877 43.268 45.100 0.075 0.000 0.969 185 G HN 0.447 nan 8.290 nan 0.000 0.484 186 P HA 0.179 nan 4.420 nan 0.000 0.266 186 P C 0.656 177.970 177.300 0.024 0.000 1.195 186 P CA 0.190 63.349 63.100 0.099 0.000 0.768 186 P CB 0.825 32.537 31.700 0.019 0.000 0.838 187 G N 1.467 110.272 108.800 0.009 0.000 2.572 187 G HA2 0.462 4.424 3.960 0.003 0.000 0.261 187 G HA3 0.462 4.424 3.960 0.003 0.000 0.261 187 G C -0.432 174.442 174.900 -0.043 0.000 1.197 187 G CA 0.054 45.144 45.100 -0.016 0.000 0.870 187 G HN 0.509 nan 8.290 nan 0.000 0.548 188 T N -0.970 113.558 114.554 -0.043 0.000 2.696 188 T HA 0.643 4.995 4.350 0.003 0.000 0.291 188 T C -1.044 173.628 174.700 -0.048 0.000 1.095 188 T CA -0.641 61.426 62.100 -0.056 0.000 1.026 188 T CB 0.971 69.807 68.868 -0.054 0.000 1.390 188 T HN 0.345 nan 8.240 nan 0.000 0.513 189 L N 1.994 123.186 121.223 -0.051 0.000 2.354 189 L HA 0.512 4.854 4.340 0.003 0.000 0.269 189 L C -0.287 176.560 176.870 -0.037 0.000 1.005 189 L CA -0.966 53.849 54.840 -0.041 0.000 0.819 189 L CB 1.956 43.989 42.059 -0.044 0.000 1.311 189 L HN 0.755 nan 8.230 nan 0.000 0.423 190 D N 1.891 122.273 120.400 -0.030 0.000 3.071 190 D HA 0.174 4.816 4.640 0.003 0.000 0.259 190 D C -0.266 176.019 176.300 -0.025 0.000 1.331 190 D CA -0.137 53.847 54.000 -0.027 0.000 0.861 190 D CB 0.230 41.017 40.800 -0.022 0.000 1.059 190 D HN 0.179 nan 8.370 nan 0.000 0.486 191 V N -3.564 116.333 119.914 -0.029 0.000 2.769 191 V HA 0.689 4.811 4.120 0.003 0.000 0.312 191 V C -2.840 173.236 176.094 -0.029 0.000 1.058 191 V CA -2.560 59.724 62.300 -0.027 0.000 0.952 191 V CB 1.492 33.300 31.823 -0.026 0.000 1.019 191 V HN -0.195 nan 8.190 nan 0.000 0.445 192 P HA 0.376 nan 4.420 nan 0.000 0.264 192 P C 0.926 178.207 177.300 -0.031 0.000 1.193 192 P CA 1.660 64.744 63.100 -0.026 0.000 0.763 192 P CB 0.813 32.500 31.700 -0.021 0.000 0.810 193 G N 1.804 110.582 108.800 -0.036 0.000 2.195 193 G HA2 -0.302 3.660 3.960 0.003 0.000 0.246 193 G HA3 -0.302 3.660 3.960 0.003 0.000 0.246 193 G C 0.967 175.832 174.900 -0.058 0.000 0.984 193 G CA 0.116 45.189 45.100 -0.044 0.000 0.633 193 G HN 0.520 nan 8.290 nan 0.000 0.525 194 V N 0.642 120.520 119.914 -0.059 0.000 2.720 194 V HA -0.047 4.074 4.120 0.003 0.000 0.256 194 V C 1.880 177.918 176.094 -0.093 0.000 1.082 194 V CA 2.860 65.114 62.300 -0.076 0.000 1.101 194 V CB -0.387 31.396 31.823 -0.067 0.000 0.693 194 V HN 0.597 nan 8.190 nan 0.000 0.479 195 N N 0.191 118.843 118.700 -0.080 0.000 2.270 195 N HA 0.356 5.097 4.740 0.003 0.000 0.198 195 N C 0.360 175.814 175.510 -0.094 0.000 1.117 195 N CA 0.371 53.370 53.050 -0.085 0.000 0.845 195 N CB 0.271 38.721 38.487 -0.061 0.000 0.980 195 N HN 0.523 nan 8.380 nan 0.000 0.486 196 A N 1.085 123.847 122.820 -0.096 0.000 2.366 196 A HA 0.164 4.486 4.320 0.003 0.000 0.249 196 A C 0.209 177.715 177.584 -0.130 0.000 1.084 196 A CA -0.161 51.821 52.037 -0.092 0.000 0.794 196 A CB 0.365 19.320 19.000 -0.074 0.000 1.034 196 A HN 0.180 nan 8.150 nan 0.000 0.491 197 K N 0.214 120.549 120.400 -0.108 0.000 2.379 197 K HA 0.405 4.727 4.320 0.003 0.000 0.284 197 K C 0.922 177.458 176.600 -0.107 0.000 1.044 197 K CA 0.974 57.188 56.287 -0.122 0.000 0.974 197 K CB 0.453 32.904 32.500 -0.083 0.000 0.962 197 K HN 1.250 nan 8.250 nan 0.000 0.474 198 G N 1.302 110.018 108.800 -0.140 0.000 2.229 198 G HA2 -0.194 3.767 3.960 0.003 0.000 0.189 198 G HA3 -0.194 3.767 3.960 0.003 0.000 0.189 198 G C -0.209 174.637 174.900 -0.090 0.000 1.000 198 G CA -0.568 44.609 45.100 0.128 0.000 0.663 198 G HN 0.410 nan 8.290 nan 0.000 0.493 199 V N 1.705 121.377 119.914 -0.403 0.000 2.394 199 V HA 0.814 4.935 4.120 0.003 0.000 0.282 199 V C -0.151 175.574 176.094 -0.615 0.000 1.031 199 V CA -0.293 61.791 62.300 -0.360 0.000 0.881 199 V CB 0.916 32.592 31.823 -0.245 0.000 0.982 199 V HN 0.222 nan 8.190 nan 0.000 0.451 200 F N 2.475 122.300 119.950 -0.209 0.000 2.640 200 F HA 0.718 5.247 4.527 0.003 0.000 0.324 200 F C -0.146 175.432 175.800 -0.370 0.000 1.077 200 F CA -0.869 57.041 58.000 -0.150 0.000 0.965 200 F CB 2.113 41.127 39.000 0.023 0.000 1.351 200 F HN 0.644 nan 8.300 nan 0.000 0.487 201 D N -2.478 117.857 120.400 -0.109 0.000 2.636 201 D HA 0.168 4.810 4.640 0.003 0.000 0.275 201 D C 0.733 176.970 176.300 -0.104 0.000 1.130 201 D CA -0.549 53.172 54.000 -0.466 0.000 1.031 201 D CB 0.171 40.801 40.800 -0.284 0.000 1.451 201 D HN 0.611 nan 8.370 nan 0.000 0.505 202 H N -0.641 118.386 119.070 -0.071 0.000 2.422 202 H HA -0.100 4.458 4.556 0.003 0.000 0.298 202 H C 1.338 176.829 175.328 0.271 0.000 1.098 202 H CA 1.845 58.013 56.048 0.200 0.000 1.315 202 H CB -0.453 29.357 29.762 0.081 0.000 1.382 202 H HN 0.433 nan 8.280 nan 0.000 0.523 203 A N 1.379 123.835 122.820 -0.606 0.000 1.872 203 A HA -0.126 4.196 4.320 0.003 0.000 0.214 203 A C 2.745 180.384 177.584 0.092 0.000 1.187 203 A CA 2.253 54.149 52.037 -0.235 0.000 0.614 203 A CB -1.084 17.751 19.000 -0.275 0.000 0.826 203 A HN 0.681 nan 8.150 nan 0.000 0.442 204 T N -1.929 112.698 114.554 0.122 0.000 2.995 204 T HA -0.053 4.298 4.350 0.003 0.000 0.269 204 T C 1.721 176.698 174.700 0.462 0.000 1.091 204 T CA 1.231 63.495 62.100 0.272 0.000 1.128 204 T CB -0.406 68.592 68.868 0.217 0.000 0.891 204 T HN 0.179 nan 8.240 nan 0.000 0.492 205 L N 2.556 124.050 121.223 0.451 0.000 2.079 205 L HA 0.034 4.376 4.340 0.003 0.000 0.210 205 L C 2.344 179.375 176.870 0.268 0.000 1.081 205 L CA 1.695 56.736 54.840 0.334 0.000 0.752 205 L CB -0.486 41.849 42.059 0.460 0.000 0.896 205 L HN 0.386 nan 8.230 nan 0.000 0.433 206 V N -4.159 115.945 119.914 0.318 0.000 3.577 206 V HA 0.202 4.323 4.120 0.003 0.000 0.294 206 V C 1.319 177.561 176.094 0.247 0.000 1.317 206 V CA 0.611 63.100 62.300 0.315 0.000 1.169 206 V CB -0.498 31.563 31.823 0.397 0.000 1.011 206 V HN 0.446 nan 8.190 nan 0.000 0.426 207 E N 0.712 121.065 120.200 0.255 0.000 2.444 207 E HA 0.178 4.530 4.350 0.003 0.000 0.209 207 E C 1.001 177.749 176.600 0.246 0.000 0.806 207 E CA 0.451 56.991 56.400 0.234 0.000 1.240 207 E CB 0.641 30.488 29.700 0.245 0.000 1.238 207 E HN 0.779 nan 8.360 nan 0.000 0.591 208 E N 0.775 121.170 120.200 0.326 0.000 2.660 208 E HA 0.136 4.488 4.350 0.003 0.000 0.216 208 E C -0.197 176.696 176.600 0.488 0.000 0.986 208 E CA -0.212 56.414 56.400 0.378 0.000 1.037 208 E CB 0.785 30.707 29.700 0.370 0.000 1.041 208 E HN -0.117 nan 8.360 nan 0.000 0.480 209 L N 3.265 124.672 121.223 0.306 0.000 2.433 209 L HA 0.090 4.432 4.340 0.003 0.000 0.284 209 L C 0.128 177.085 176.870 0.145 0.000 1.120 209 L CA 0.268 55.178 54.840 0.116 0.000 0.879 209 L CB 0.228 42.166 42.059 -0.202 0.000 1.232 209 L HN -0.009 nan 8.230 nan 0.000 0.454 210 D N 3.080 123.657 120.400 0.294 0.000 2.424 210 D HA 0.099 4.741 4.640 0.003 0.000 0.220 210 D C -0.349 176.132 176.300 0.301 0.000 1.150 210 D CA -0.066 54.087 54.000 0.255 0.000 0.831 210 D CB -0.327 40.626 40.800 0.256 0.000 0.981 210 D HN 0.445 nan 8.370 nan 0.000 0.500 211 Y N -2.311 118.043 120.300 0.089 0.000 2.670 211 Y HA 0.689 5.241 4.550 0.003 0.000 0.334 211 Y C -1.192 174.704 175.900 -0.006 0.000 1.185 211 Y CA -1.728 56.403 58.100 0.052 0.000 1.053 211 Y CB 0.909 39.417 38.460 0.080 0.000 1.298 211 Y HN -0.235 nan 8.280 nan 0.000 0.459 212 E N 2.972 123.141 120.200 -0.052 0.000 2.115 212 E HA 0.500 4.851 4.350 0.003 0.000 0.282 212 E C -2.722 173.773 176.600 -0.175 0.000 0.987 212 E CA -2.528 53.749 56.400 -0.205 0.000 0.797 212 E CB 0.977 30.628 29.700 -0.083 0.000 1.086 212 E HN 0.453 nan 8.360 nan 0.000 0.397 213 P HA 0.085 nan 4.420 nan 0.000 0.267 213 P C 0.037 177.278 177.300 -0.098 0.000 1.201 213 P CA 0.133 63.054 63.100 -0.298 0.000 0.775 213 P CB 0.727 31.898 31.700 -0.881 0.000 0.854 214 G N 0.265 109.087 108.800 0.036 0.000 2.525 214 G HA2 0.161 4.123 3.960 0.003 0.000 0.276 214 G HA3 0.161 4.123 3.960 0.003 0.000 0.276 214 G C 1.158 176.044 174.900 -0.023 0.000 1.388 214 G CA 0.164 45.280 45.100 0.026 0.000 1.050 214 G HN 0.509 nan 8.290 nan 0.000 0.520 215 S N -2.008 113.688 115.700 -0.007 0.000 2.481 215 S HA 0.057 4.528 4.470 0.003 0.000 0.231 215 S C 0.889 175.485 174.600 -0.006 0.000 0.996 215 S CA 1.029 59.219 58.200 -0.017 0.000 0.942 215 S CB -0.069 63.127 63.200 -0.008 0.000 0.768 215 S HN 0.418 nan 8.310 nan 0.000 0.520 216 T N 1.788 116.354 114.554 0.020 0.000 2.841 216 T HA 0.664 5.016 4.350 0.003 0.000 0.283 216 T C -0.999 173.746 174.700 0.075 0.000 1.000 216 T CA -0.551 61.574 62.100 0.040 0.000 0.977 216 T CB 1.961 70.856 68.868 0.045 0.000 0.979 216 T HN 0.040 nan 8.240 nan 0.000 0.446 217 V N 3.263 123.230 119.914 0.089 0.000 2.604 217 V HA 0.563 4.685 4.120 0.003 0.000 0.305 217 V C -0.465 175.714 176.094 0.141 0.000 1.043 217 V CA -0.753 61.638 62.300 0.152 0.000 0.888 217 V CB 2.151 34.043 31.823 0.116 0.000 0.995 217 V HN 0.690 nan 8.190 nan 0.000 0.429 218 V N 5.192 125.183 119.914 0.128 0.000 2.417 218 V HA 0.512 4.633 4.120 0.003 0.000 0.291 218 V C -0.307 175.870 176.094 0.138 0.000 1.024 218 V CA -0.496 61.869 62.300 0.108 0.000 0.861 218 V CB 1.956 33.819 31.823 0.065 0.000 0.985 218 V HN 0.612 nan 8.190 nan 0.000 0.436 219 V N 5.751 125.774 119.914 0.183 0.000 2.459 219 V HA 0.497 4.619 4.120 0.003 0.000 0.295 219 V C -0.229 175.960 176.094 0.159 0.000 1.029 219 V CA -0.631 61.821 62.300 0.254 0.000 0.874 219 V CB 2.099 34.122 31.823 0.334 0.000 0.985 219 V HN 0.588 nan 8.190 nan 0.000 0.438 220 V N 3.937 123.927 119.914 0.126 0.000 2.370 220 V HA 0.968 5.090 4.120 0.003 0.000 0.283 220 V C 0.521 176.655 176.094 0.066 0.000 1.023 220 V CA 0.440 62.778 62.300 0.063 0.000 0.857 220 V CB 0.750 32.578 31.823 0.009 0.000 0.985 220 V HN 1.312 nan 8.190 nan 0.000 0.443 221 G N 3.492 112.328 108.800 0.060 0.000 2.362 221 G HA2 0.401 4.362 3.960 0.003 0.000 0.656 221 G HA3 0.401 4.362 3.960 0.003 0.000 0.656 221 G C 0.048 174.986 174.900 0.063 0.000 1.376 221 G CA -0.179 44.953 45.100 0.054 0.000 0.971 221 G HN 1.164 nan 8.290 nan 0.000 0.636 222 G N -0.841 107.988 108.800 0.047 0.000 3.815 222 G HA2 0.565 4.527 3.960 0.003 0.000 0.265 222 G HA3 0.565 4.527 3.960 0.003 0.000 0.265 222 G C 0.549 175.471 174.900 0.037 0.000 1.026 222 G CA 1.621 46.746 45.100 0.043 0.000 0.868 222 G HN 1.176 nan 8.290 nan 0.000 0.476 223 S N -0.474 115.249 115.700 0.038 0.000 2.561 223 S HA 0.382 4.854 4.470 0.003 0.000 0.282 223 S C 1.754 176.376 174.600 0.036 0.000 1.123 223 S CA -0.353 57.866 58.200 0.032 0.000 1.011 223 S CB 0.889 64.104 63.200 0.024 0.000 1.244 223 S HN 0.142 nan 8.310 nan 0.000 0.503 224 K N 0.108 120.520 120.400 0.020 0.000 2.015 224 K HA -0.157 4.165 4.320 0.003 0.000 0.220 224 K C 2.123 178.721 176.600 -0.003 0.000 1.055 224 K CA 2.383 58.666 56.287 -0.007 0.000 0.951 224 K CB -1.101 31.364 32.500 -0.058 0.000 0.725 224 K HN 0.558 nan 8.250 nan 0.000 0.449 225 T N 1.050 115.607 114.554 0.006 0.000 2.684 225 T HA -0.182 4.169 4.350 0.003 0.000 0.267 225 T C 2.017 176.834 174.700 0.194 0.000 1.036 225 T CA 1.534 63.679 62.100 0.075 0.000 1.148 225 T CB -0.375 68.508 68.868 0.024 0.000 0.863 225 T HN 0.417 nan 8.240 nan 0.000 0.436 226 A N 0.844 123.765 122.820 0.170 0.000 1.883 226 A HA -0.071 4.251 4.320 0.003 0.000 0.217 226 A C 2.603 180.282 177.584 0.157 0.000 1.186 226 A CA 1.553 53.721 52.037 0.219 0.000 0.624 226 A CB -1.014 18.081 19.000 0.158 0.000 0.822 226 A HN 0.366 nan 8.150 nan 0.000 0.444 227 V N -0.176 119.796 119.914 0.098 0.000 2.379 227 V HA -0.226 3.896 4.120 0.003 0.000 0.245 227 V C 2.392 178.496 176.094 0.017 0.000 1.044 227 V CA 2.197 64.531 62.300 0.057 0.000 1.036 227 V CB -0.811 31.043 31.823 0.051 0.000 0.664 227 V HN 0.640 nan 8.190 nan 0.000 0.453 228 E N -0.784 119.436 120.200 0.032 0.000 2.031 228 E HA -0.224 4.128 4.350 0.003 0.000 0.193 228 E C 2.133 178.644 176.600 -0.148 0.000 0.994 228 E CA 1.884 58.270 56.400 -0.024 0.000 0.800 228 E CB -0.267 29.382 29.700 -0.086 0.000 0.752 228 E HN 0.709 nan 8.360 nan 0.000 0.447 229 Y N 0.119 120.236 120.300 -0.305 0.000 2.263 229 Y HA -0.088 4.464 4.550 0.003 0.000 0.292 229 Y C 2.540 177.931 175.900 -0.850 0.000 1.130 229 Y CA 0.792 58.475 58.100 -0.695 0.000 1.179 229 Y CB -0.399 37.464 38.460 -0.996 0.000 0.998 229 Y HN 0.117 nan 8.280 nan 0.000 0.532 230 G N -0.881 107.808 108.800 -0.185 0.000 2.440 230 G HA2 -0.273 3.689 3.960 0.003 0.000 0.218 230 G HA3 -0.273 3.689 3.960 0.003 0.000 0.218 230 G C 1.622 176.471 174.900 -0.086 0.000 1.154 230 G CA 1.332 46.430 45.100 -0.003 0.000 0.767 230 G HN 0.451 nan 8.290 nan 0.000 0.552 231 C N -0.172 119.018 119.300 -0.184 0.000 2.435 231 C HA 0.062 4.524 4.460 0.003 0.000 0.279 231 C C 2.400 177.234 174.990 -0.260 0.000 1.321 231 C CA 0.536 59.340 59.018 -0.356 0.000 1.752 231 C CB -1.157 26.168 27.740 -0.693 0.000 1.959 231 C HN 0.482 nan 8.230 nan 0.000 0.500 232 F N 1.408 121.102 119.950 -0.427 0.000 2.113 232 F HA -0.056 4.473 4.527 0.003 0.000 0.297 232 F C 1.865 177.518 175.800 -0.245 0.000 1.103 232 F CA 1.518 59.283 58.000 -0.391 0.000 1.248 232 F CB -0.766 37.864 39.000 -0.617 0.000 0.999 232 F HN 0.154 nan 8.300 nan 0.000 0.475 233 F N 0.989 120.698 119.950 -0.402 0.000 2.126 233 F HA -0.176 4.353 4.527 0.003 0.000 0.299 233 F C 2.453 178.072 175.800 -0.302 0.000 1.096 233 F CA 1.526 59.250 58.000 -0.459 0.000 1.255 233 F CB -1.923 36.977 39.000 -0.167 0.000 0.997 233 F HN 0.177 nan 8.300 nan 0.000 0.479 234 N N 0.555 119.275 118.700 0.035 0.000 2.120 234 N HA -0.168 4.574 4.740 0.003 0.000 0.188 234 N C 1.826 177.348 175.510 0.020 0.000 1.024 234 N CA 1.502 54.587 53.050 0.058 0.000 0.852 234 N CB -0.319 38.254 38.487 0.144 0.000 1.003 234 N HN 0.144 nan 8.380 nan 0.000 0.424 235 A N -0.433 122.405 122.820 0.031 0.000 1.972 235 A HA -0.133 4.189 4.320 0.003 0.000 0.219 235 A C 2.204 179.730 177.584 -0.097 0.000 1.169 235 A CA 2.017 54.067 52.037 0.021 0.000 0.635 235 A CB -1.456 17.603 19.000 0.099 0.000 0.810 235 A HN 0.641 nan 8.150 nan 0.000 0.446 236 T N -4.091 110.321 114.554 -0.236 0.000 3.113 236 T HA 0.344 4.696 4.350 0.003 0.000 0.263 236 T C 1.290 175.907 174.700 -0.139 0.000 1.143 236 T CA 1.187 63.147 62.100 -0.234 0.000 1.090 236 T CB -0.197 68.439 68.868 -0.387 0.000 0.922 236 T HN 1.731 nan 8.240 nan 0.000 0.521 237 G N 0.985 109.724 108.800 -0.101 0.000 2.135 237 G HA2 -0.166 3.796 3.960 0.003 0.000 0.183 237 G HA3 -0.166 3.796 3.960 0.003 0.000 0.183 237 G C -0.088 174.775 174.900 -0.061 0.000 1.004 237 G CA -0.496 44.563 45.100 -0.069 0.000 0.677 237 G HN 0.675 nan 8.290 nan 0.000 0.512 238 R N -0.193 120.270 120.500 -0.061 0.000 2.532 238 R HA 0.559 4.901 4.340 0.003 0.000 0.295 238 R C 0.585 176.884 176.300 -0.002 0.000 0.968 238 R CA -0.975 55.100 56.100 -0.042 0.000 0.916 238 R CB 1.333 31.589 30.300 -0.073 0.000 1.124 238 R HN 0.219 nan 8.270 nan 0.000 0.463 239 R N 1.649 122.153 120.500 0.006 0.000 2.421 239 R HA 0.041 4.382 4.340 0.003 0.000 0.305 239 R C -0.998 175.333 176.300 0.051 0.000 1.039 239 R CA 0.594 56.709 56.100 0.024 0.000 1.003 239 R CB 0.403 30.715 30.300 0.020 0.000 0.959 239 R HN 0.497 nan 8.270 nan 0.000 0.427 240 T N 4.532 119.129 114.554 0.070 0.000 2.791 240 T HA 0.286 4.638 4.350 0.003 0.000 0.288 240 T C -0.676 174.083 174.700 0.097 0.000 0.999 240 T CA -0.572 61.594 62.100 0.110 0.000 0.952 240 T CB 1.569 70.526 68.868 0.149 0.000 0.938 240 T HN 0.295 nan 8.240 nan 0.000 0.444 241 V N 5.274 125.247 119.914 0.099 0.000 2.384 241 V HA 0.449 4.571 4.120 0.003 0.000 0.287 241 V C -0.042 176.110 176.094 0.095 0.000 1.020 241 V CA -0.723 61.625 62.300 0.080 0.000 0.850 241 V CB 1.304 33.164 31.823 0.062 0.000 0.987 241 V HN 0.872 nan 8.190 nan 0.000 0.436 242 M N 6.064 125.715 119.600 0.086 0.000 2.180 242 M HA 0.527 5.009 4.480 0.003 0.000 0.350 242 M C -0.940 175.399 176.300 0.064 0.000 1.125 242 M CA -0.314 55.040 55.300 0.091 0.000 1.031 242 M CB 1.460 34.114 32.600 0.089 0.000 1.623 242 M HN 0.412 nan 8.290 nan 0.000 0.451 243 L N 4.708 125.968 121.223 0.061 0.000 2.272 243 L HA 0.468 4.809 4.340 0.003 0.000 0.284 243 L C -0.762 176.130 176.870 0.036 0.000 1.045 243 L CA -0.815 54.050 54.840 0.041 0.000 0.842 243 L CB 0.757 42.837 42.059 0.034 0.000 1.224 243 L HN 0.406 nan 8.230 nan 0.000 0.430 244 V N 3.746 123.677 119.914 0.029 0.000 2.370 244 V HA 0.254 4.376 4.120 0.003 0.000 0.279 244 V C 1.228 177.330 176.094 0.014 0.000 1.029 244 V CA -0.530 61.784 62.300 0.024 0.000 0.870 244 V CB 1.582 33.418 31.823 0.022 0.000 0.984 244 V HN 0.756 nan 8.190 nan 0.000 0.451 245 R N 2.707 123.213 120.500 0.011 0.000 2.091 245 R HA -0.134 4.208 4.340 0.003 0.000 0.238 245 R C 1.649 177.950 176.300 0.003 0.000 1.136 245 R CA 2.319 58.422 56.100 0.005 0.000 0.959 245 R CB 0.106 30.408 30.300 0.003 0.000 0.856 245 R HN 0.960 nan 8.270 nan 0.000 0.437 246 T N -2.449 112.107 114.554 0.003 0.000 2.435 246 T HA 0.262 4.614 4.350 0.003 0.000 0.177 246 T C -0.051 174.648 174.700 -0.001 0.000 0.716 246 T CA -0.687 61.412 62.100 -0.001 0.000 1.523 246 T CB 0.317 69.183 68.868 -0.002 0.000 2.878 246 T HN -0.074 nan 8.240 nan 0.000 0.405 247 E N 2.164 122.362 120.200 -0.004 0.000 2.288 247 E HA 0.505 4.857 4.350 0.003 0.000 0.268 247 E C -2.739 173.858 176.600 -0.006 0.000 0.885 247 E CA -2.421 53.975 56.400 -0.007 0.000 0.767 247 E CB 2.137 31.828 29.700 -0.014 0.000 1.220 247 E HN 0.415 nan 8.360 nan 0.000 0.427 248 P HA 0.211 nan 4.420 nan 0.000 0.274 248 P C 0.237 177.528 177.300 -0.014 0.000 1.231 248 P CA -0.318 62.782 63.100 0.000 0.000 0.790 248 P CB 0.874 32.579 31.700 0.008 0.000 0.951 249 L N -0.286 120.931 121.223 -0.010 0.000 3.762 249 L HA -0.246 4.096 4.340 0.003 0.000 0.460 249 L C 1.372 178.203 176.870 -0.066 0.000 1.255 249 L CA 0.450 55.272 54.840 -0.030 0.000 0.783 249 L CB -1.539 40.502 42.059 -0.031 0.000 1.600 249 L HN 0.529 nan 8.230 nan 0.000 0.862 250 K N 0.005 120.376 120.400 -0.048 0.000 2.362 250 K HA -0.038 4.284 4.320 0.003 0.000 0.200 250 K C 1.824 178.370 176.600 -0.090 0.000 1.046 250 K CA 0.813 57.065 56.287 -0.059 0.000 0.952 250 K CB 0.041 32.522 32.500 -0.031 0.000 0.753 250 K HN 0.520 nan 8.250 nan 0.000 0.466 251 L N 0.938 122.102 121.223 -0.097 0.000 2.275 251 L HA -0.049 4.293 4.340 0.003 0.000 0.215 251 L C 0.894 177.491 176.870 -0.455 0.000 1.119 251 L CA 0.579 55.336 54.840 -0.137 0.000 0.790 251 L CB -0.128 41.937 42.059 0.011 0.000 0.919 251 L HN 0.134 nan 8.230 nan 0.000 0.443 252 I N 0.501 120.788 120.570 -0.472 0.000 2.260 252 I HA -0.006 4.166 4.170 0.003 0.000 0.297 252 I C 1.097 177.031 176.117 -0.305 0.000 1.143 252 I CA 0.048 61.001 61.300 -0.579 0.000 1.271 252 I CB 0.586 38.359 38.000 -0.378 0.000 1.461 252 I HN 0.100 nan 8.210 nan 0.000 0.530 253 K N 2.527 122.775 120.400 -0.253 0.000 2.155 253 K HA -0.104 4.218 4.320 0.003 0.000 0.203 253 K C 0.474 176.979 176.600 -0.158 0.000 1.052 253 K CA 0.757 56.959 56.287 -0.141 0.000 0.948 253 K CB -0.080 32.382 32.500 -0.063 0.000 0.728 253 K HN 0.491 nan 8.250 nan 0.000 0.448 254 D N 1.003 121.251 120.400 -0.252 0.000 2.358 254 D HA 0.015 4.657 4.640 0.003 0.000 0.258 254 D C 0.451 176.637 176.300 -0.189 0.000 1.223 254 D CA 0.169 53.984 54.000 -0.309 0.000 0.886 254 D CB 0.491 40.893 40.800 -0.663 0.000 1.120 254 D HN 0.061 nan 8.370 nan 0.000 0.482 255 N N 2.760 121.380 118.700 -0.133 0.000 2.069 255 N HA -0.199 4.543 4.740 0.003 0.000 0.191 255 N C 1.054 176.488 175.510 -0.127 0.000 1.031 255 N CA 0.948 53.934 53.050 -0.108 0.000 0.852 255 N CB 0.096 38.538 38.487 -0.076 0.000 1.018 255 N HN 0.594 nan 8.380 nan 0.000 0.423 256 E N 0.064 120.190 120.200 -0.123 0.000 2.106 256 E HA -0.114 4.238 4.350 0.003 0.000 0.192 256 E C 1.869 178.203 176.600 -0.442 0.000 0.984 256 E CA 1.128 57.393 56.400 -0.225 0.000 0.806 256 E CB -0.014 29.634 29.700 -0.086 0.000 0.750 256 E HN 0.354 nan 8.360 nan 0.000 0.458 257 T N 0.767 115.177 114.554 -0.241 0.000 2.708 257 T HA -0.168 4.184 4.350 0.003 0.000 0.266 257 T C 1.842 176.467 174.700 -0.126 0.000 1.037 257 T CA 1.127 63.136 62.100 -0.151 0.000 1.146 257 T CB -0.145 68.773 68.868 0.084 0.000 0.865 257 T HN 0.121 nan 8.240 nan 0.000 0.435 258 R N 0.874 121.298 120.500 -0.128 0.000 2.081 258 R HA -0.053 4.289 4.340 0.003 0.000 0.235 258 R C 2.608 178.847 176.300 -0.101 0.000 1.131 258 R CA 1.436 57.473 56.100 -0.105 0.000 0.960 258 R CB -0.454 29.776 30.300 -0.115 0.000 0.856 258 R HN 0.376 nan 8.270 nan 0.000 0.436 259 A N -0.009 122.733 122.820 -0.130 0.000 1.902 259 A HA -0.228 4.094 4.320 0.003 0.000 0.217 259 A C 2.005 179.509 177.584 -0.133 0.000 1.181 259 A CA 1.363 53.326 52.037 -0.124 0.000 0.623 259 A CB -0.864 18.058 19.000 -0.130 0.000 0.818 259 A HN 0.613 nan 8.150 nan 0.000 0.443 260 Y N 0.576 120.682 120.300 -0.324 0.000 2.145 260 Y HA -0.179 4.373 4.550 0.003 0.000 0.286 260 Y C 2.365 178.157 175.900 -0.179 0.000 1.145 260 Y CA 1.943 59.855 58.100 -0.313 0.000 1.148 260 Y CB -0.312 37.831 38.460 -0.529 0.000 0.981 260 Y HN 0.070 nan 8.280 nan 0.000 0.507 261 V N 0.457 120.334 119.914 -0.062 0.000 2.295 261 V HA -0.339 3.783 4.120 0.003 0.000 0.246 261 V C 2.449 178.501 176.094 -0.070 0.000 1.049 261 V CA 2.140 64.412 62.300 -0.046 0.000 1.024 261 V CB -0.824 31.021 31.823 0.037 0.000 0.648 261 V HN 0.440 nan 8.190 nan 0.000 0.447 262 L N -0.302 120.879 121.223 -0.071 0.000 2.046 262 L HA -0.179 4.163 4.340 0.003 0.000 0.208 262 L C 2.393 179.215 176.870 -0.080 0.000 1.077 262 L CA 1.548 56.356 54.840 -0.053 0.000 0.747 262 L CB -0.754 41.275 42.059 -0.050 0.000 0.896 262 L HN 0.328 nan 8.230 nan 0.000 0.432 263 D N -0.211 120.106 120.400 -0.138 0.000 2.123 263 D HA -0.148 4.493 4.640 0.003 0.000 0.196 263 D C 2.361 178.563 176.300 -0.163 0.000 0.992 263 D CA 0.954 54.864 54.000 -0.151 0.000 0.833 263 D CB -0.112 40.575 40.800 -0.188 0.000 0.954 263 D HN 0.118 nan 8.370 nan 0.000 0.455 264 R N -0.157 120.195 120.500 -0.246 0.000 2.148 264 R HA 0.079 4.420 4.340 0.003 0.000 0.223 264 R C 2.306 178.587 176.300 -0.031 0.000 1.088 264 R CA 0.351 56.352 56.100 -0.166 0.000 0.985 264 R CB -0.453 29.736 30.300 -0.186 0.000 0.880 264 R HN 0.351 nan 8.270 nan 0.000 0.451 265 M N 0.400 120.011 119.600 0.019 0.000 2.132 265 M HA -0.117 4.364 4.480 0.003 0.000 0.263 265 M C 1.985 178.307 176.300 0.036 0.000 1.065 265 M CA 1.681 57.039 55.300 0.095 0.000 1.122 265 M CB -0.160 32.497 32.600 0.095 0.000 1.365 265 M HN -0.019 nan 8.290 nan 0.000 0.411 266 K N -0.001 120.396 120.400 -0.004 0.000 2.097 266 K HA -0.193 4.129 4.320 0.003 0.000 0.205 266 K C 1.831 178.413 176.600 -0.030 0.000 1.050 266 K CA 1.261 57.539 56.287 -0.014 0.000 0.938 266 K CB -0.202 32.282 32.500 -0.026 0.000 0.718 266 K HN 0.369 nan 8.250 nan 0.000 0.442 267 E N 0.869 121.040 120.200 -0.048 0.000 2.204 267 E HA -0.186 4.166 4.350 0.003 0.000 0.195 267 E C 1.583 178.138 176.600 -0.076 0.000 0.990 267 E CA 0.851 57.218 56.400 -0.055 0.000 0.821 267 E CB 0.268 29.941 29.700 -0.045 0.000 0.750 267 E HN 0.157 nan 8.360 nan 0.000 0.477 268 Q N -0.829 118.912 119.800 -0.099 0.000 2.482 268 Q HA 0.052 4.393 4.340 0.003 0.000 0.209 268 Q C 1.126 177.083 176.000 -0.071 0.000 0.961 268 Q CA 0.932 56.645 55.803 -0.151 0.000 0.945 268 Q CB 1.080 29.626 28.738 -0.320 0.000 1.012 268 Q HN 0.493 nan 8.270 nan 0.000 0.515 269 G N 0.243 109.023 108.800 -0.033 0.000 2.179 269 G HA2 -0.241 3.720 3.960 0.003 0.000 0.220 269 G HA3 -0.241 3.720 3.960 0.003 0.000 0.220 269 G C 0.206 175.116 174.900 0.018 0.000 0.990 269 G CA -0.010 45.083 45.100 -0.011 0.000 0.646 269 G HN 0.245 nan 8.290 nan 0.000 0.517 270 M N 1.072 120.696 119.600 0.040 0.000 2.238 270 M HA 0.368 4.850 4.480 0.003 0.000 0.347 270 M C 0.224 176.548 176.300 0.041 0.000 1.173 270 M CA 0.621 55.958 55.300 0.061 0.000 1.147 270 M CB 0.535 33.190 32.600 0.093 0.000 1.547 270 M HN 0.206 nan 8.290 nan 0.000 0.455 271 E N 3.937 124.164 120.200 0.045 0.000 2.145 271 E HA 0.500 4.852 4.350 0.003 0.000 0.270 271 E C -1.092 175.532 176.600 0.040 0.000 0.906 271 E CA -0.310 56.110 56.400 0.034 0.000 0.761 271 E CB 1.676 31.395 29.700 0.031 0.000 1.116 271 E HN 0.549 nan 8.360 nan 0.000 0.408 272 I N 4.692 125.280 120.570 0.029 0.000 2.382 272 I HA 0.343 4.515 4.170 0.003 0.000 0.286 272 I C -0.419 175.710 176.117 0.021 0.000 1.002 272 I CA -0.647 60.670 61.300 0.030 0.000 1.135 272 I CB 1.017 39.032 38.000 0.025 0.000 1.288 272 I HN 0.388 nan 8.210 nan 0.000 0.448 273 I N 5.373 125.957 120.570 0.024 0.000 2.328 273 I HA 0.272 4.443 4.170 0.003 0.000 0.287 273 I C 0.311 176.437 176.117 0.014 0.000 1.012 273 I CA -0.093 61.217 61.300 0.016 0.000 1.195 273 I CB 1.287 39.298 38.000 0.018 0.000 1.350 273 I HN 0.506 nan 8.210 nan 0.000 0.464 274 S N 3.665 119.370 115.700 0.008 0.000 2.632 274 S HA 0.458 4.930 4.470 0.003 0.000 0.267 274 S C 1.088 175.690 174.600 0.004 0.000 1.276 274 S CA 0.155 58.358 58.200 0.005 0.000 0.998 274 S CB 1.389 64.589 63.200 -0.000 0.000 0.953 274 S HN 1.052 nan 8.310 nan 0.000 0.547 275 G N 1.431 110.232 108.800 0.002 0.000 2.225 275 G HA2 -0.254 3.708 3.960 0.003 0.000 0.267 275 G HA3 -0.254 3.708 3.960 0.003 0.000 0.267 275 G C 0.079 174.981 174.900 0.002 0.000 1.024 275 G CA 0.398 45.498 45.100 0.001 0.000 0.784 275 G HN 1.079 nan 8.290 nan 0.000 0.507 276 S N -1.176 114.527 115.700 0.005 0.000 2.509 276 S HA 0.736 5.208 4.470 0.003 0.000 0.297 276 S C -0.456 174.146 174.600 0.005 0.000 1.118 276 S CA -0.803 57.401 58.200 0.006 0.000 1.074 276 S CB 2.104 65.310 63.200 0.010 0.000 1.038 276 S HN 0.339 nan 8.310 nan 0.000 0.498 277 N N 0.937 119.639 118.700 0.002 0.000 2.410 277 N HA 0.414 5.156 4.740 0.003 0.000 0.287 277 N C -1.180 174.329 175.510 -0.002 0.000 1.044 277 N CA -0.678 52.371 53.050 -0.001 0.000 0.881 277 N CB 1.876 40.361 38.487 -0.003 0.000 1.405 277 N HN 0.515 nan 8.380 nan 0.000 0.490 278 V N 1.419 121.331 119.914 -0.004 0.000 2.673 278 V HA 0.027 4.148 4.120 0.003 0.000 0.303 278 V C 1.375 177.463 176.094 -0.009 0.000 1.046 278 V CA 0.775 63.071 62.300 -0.006 0.000 1.126 278 V CB 0.843 32.660 31.823 -0.011 0.000 0.934 278 V HN 0.985 nan 8.190 nan 0.000 0.487 279 T N 1.824 116.373 114.554 -0.009 0.000 2.969 279 T HA 0.270 4.622 4.350 0.003 0.000 0.250 279 T C 0.543 175.236 174.700 -0.013 0.000 1.021 279 T CA -0.185 61.909 62.100 -0.010 0.000 1.003 279 T CB 0.349 69.212 68.868 -0.007 0.000 1.040 279 T HN 0.575 nan 8.240 nan 0.000 0.492 280 R N 0.122 120.614 120.500 -0.013 0.000 2.633 280 R HA 0.519 4.861 4.340 0.003 0.000 0.255 280 R C -2.169 174.121 176.300 -0.016 0.000 1.106 280 R CA -0.724 55.367 56.100 -0.015 0.000 0.959 280 R CB 1.339 31.631 30.300 -0.013 0.000 1.259 280 R HN 0.245 nan 8.270 nan 0.000 0.453 281 I N 3.749 124.306 120.570 -0.022 0.000 2.330 281 I HA 0.215 4.386 4.170 0.003 0.000 0.286 281 I C 0.145 176.249 176.117 -0.022 0.000 1.025 281 I CA -0.493 60.793 61.300 -0.023 0.000 1.197 281 I CB 1.607 39.584 38.000 -0.037 0.000 1.358 281 I HN 0.499 nan 8.210 nan 0.000 0.467 282 E N 6.185 126.376 120.200 -0.014 0.000 2.384 282 E HA 0.125 4.477 4.350 0.003 0.000 0.266 282 E C -0.518 176.072 176.600 -0.016 0.000 1.012 282 E CA 0.090 56.482 56.400 -0.013 0.000 0.901 282 E CB 0.904 30.599 29.700 -0.007 0.000 0.967 282 E HN 0.514 nan 8.360 nan 0.000 0.435 283 E N 2.294 122.483 120.200 -0.019 0.000 2.202 283 E HA 0.090 4.442 4.350 0.003 0.000 0.272 283 E C -0.725 175.863 176.600 -0.020 0.000 0.951 283 E CA -0.809 55.577 56.400 -0.024 0.000 0.813 283 E CB 1.193 30.876 29.700 -0.028 0.000 1.151 283 E HN 0.456 nan 8.360 nan 0.000 0.398 284 D N 0.833 121.220 120.400 -0.023 0.000 2.478 284 D HA 0.174 4.816 4.640 0.003 0.000 0.269 284 D C 0.773 177.061 176.300 -0.020 0.000 1.232 284 D CA -0.501 53.488 54.000 -0.019 0.000 1.059 284 D CB 0.378 41.165 40.800 -0.021 0.000 1.104 284 D HN 0.364 nan 8.370 nan 0.000 0.566 285 A N -0.426 122.383 122.820 -0.017 0.000 2.076 285 A HA -0.180 4.141 4.320 0.003 0.000 0.220 285 A C 1.368 178.941 177.584 -0.018 0.000 1.160 285 A CA 1.044 53.071 52.037 -0.016 0.000 0.653 285 A CB -0.707 18.286 19.000 -0.012 0.000 0.801 285 A HN 0.543 nan 8.150 nan 0.000 0.455 286 N N -1.013 117.673 118.700 -0.024 0.000 2.230 286 N HA 0.189 4.930 4.740 0.003 0.000 0.202 286 N C 0.986 176.476 175.510 -0.033 0.000 1.119 286 N CA 0.866 53.900 53.050 -0.027 0.000 0.851 286 N CB 0.612 39.080 38.487 -0.031 0.000 0.990 286 N HN 0.590 nan 8.380 nan 0.000 0.497 287 G N 1.366 110.147 108.800 -0.033 0.000 2.136 287 G HA2 -0.291 3.670 3.960 0.003 0.000 0.242 287 G HA3 -0.291 3.670 3.960 0.003 0.000 0.242 287 G C 0.016 174.886 174.900 -0.050 0.000 0.989 287 G CA -0.184 44.894 45.100 -0.038 0.000 0.682 287 G HN 0.302 nan 8.290 nan 0.000 0.522 288 R N -0.483 119.984 120.500 -0.055 0.000 2.540 288 R HA 0.575 4.917 4.340 0.003 0.000 0.287 288 R C 0.462 176.734 176.300 -0.047 0.000 0.980 288 R CA -0.875 55.183 56.100 -0.070 0.000 0.966 288 R CB 1.805 32.045 30.300 -0.101 0.000 1.106 288 R HN 0.064 nan 8.270 nan 0.000 0.480 289 V N 2.816 122.708 119.914 -0.036 0.000 2.599 289 V HA -0.098 4.024 4.120 0.003 0.000 0.300 289 V C 1.287 177.384 176.094 0.004 0.000 1.034 289 V CA 0.649 62.942 62.300 -0.012 0.000 1.115 289 V CB 0.863 32.692 31.823 0.010 0.000 0.934 289 V HN 0.930 nan 8.190 nan 0.000 0.485 290 Q N 3.703 123.505 119.800 0.004 0.000 2.210 290 Q HA 0.641 4.983 4.340 0.003 0.000 0.252 290 Q C 0.207 176.217 176.000 0.017 0.000 0.811 290 Q CA 0.456 56.265 55.803 0.010 0.000 0.953 290 Q CB 1.195 29.933 28.738 0.000 0.000 1.136 290 Q HN 0.826 nan 8.270 nan 0.000 0.491 291 A N 0.094 122.922 122.820 0.014 0.000 2.544 291 A HA 0.615 4.937 4.320 0.003 0.000 0.291 291 A C -1.736 175.854 177.584 0.009 0.000 1.055 291 A CA -0.534 51.513 52.037 0.015 0.000 0.651 291 A CB 1.559 20.565 19.000 0.011 0.000 1.296 291 A HN 0.067 nan 8.150 nan 0.000 0.431 292 V N 0.529 120.450 119.914 0.012 0.000 2.588 292 V HA 0.606 4.727 4.120 0.003 0.000 0.304 292 V C -0.561 175.536 176.094 0.006 0.000 1.042 292 V CA -0.589 61.715 62.300 0.006 0.000 0.877 292 V CB 1.593 33.422 31.823 0.011 0.000 0.996 292 V HN 0.806 nan 8.190 nan 0.000 0.425 293 V N 3.626 123.540 119.914 0.001 0.000 2.513 293 V HA 0.947 5.069 4.120 0.003 0.000 0.299 293 V C 0.214 176.308 176.094 0.000 0.000 1.035 293 V CA -0.193 62.108 62.300 0.001 0.000 0.889 293 V CB 1.660 33.482 31.823 -0.002 0.000 0.988 293 V HN 1.089 nan 8.190 nan 0.000 0.440 294 A N 4.758 127.579 122.820 0.002 0.000 2.572 294 A HA 0.888 5.209 4.320 0.003 0.000 0.295 294 A C -1.060 176.524 177.584 0.002 0.000 1.072 294 A CA -0.705 51.333 52.037 0.002 0.000 0.691 294 A CB 1.816 20.820 19.000 0.005 0.000 1.291 294 A HN 0.787 nan 8.150 nan 0.000 0.404 295 M N 2.012 121.612 119.600 0.000 0.000 2.233 295 M HA 0.645 5.126 4.480 0.003 0.000 0.355 295 M C 0.246 176.546 176.300 0.001 0.000 1.191 295 M CA 0.192 55.492 55.300 -0.000 0.000 1.101 295 M CB 0.931 33.530 32.600 -0.002 0.000 1.592 295 M HN 1.126 nan 8.290 nan 0.000 0.461 296 T N 1.915 116.469 114.554 0.001 0.000 2.838 296 T HA 0.689 5.040 4.350 0.003 0.000 0.292 296 T C -2.469 172.231 174.700 -0.000 0.000 1.113 296 T CA -1.442 60.659 62.100 0.001 0.000 1.008 296 T CB 1.148 70.018 68.868 0.003 0.000 1.259 296 T HN 0.469 nan 8.240 nan 0.000 0.520 297 P HA 0.064 nan 4.420 nan 0.000 0.220 297 P C 0.559 177.858 177.300 -0.002 0.000 1.148 297 P CA 0.900 63.999 63.100 -0.002 0.000 0.803 297 P CB -0.098 31.601 31.700 -0.003 0.000 0.782 298 N N -1.230 117.470 118.700 -0.001 0.000 2.235 298 N HA 0.329 5.070 4.740 0.003 0.000 0.209 298 N C 0.595 176.104 175.510 -0.001 0.000 1.122 298 N CA 0.591 53.639 53.050 -0.002 0.000 0.845 298 N CB 0.490 38.977 38.487 -0.002 0.000 1.004 298 N HN 0.068 nan 8.380 nan 0.000 0.499 299 G N 0.233 109.032 108.800 -0.001 0.000 2.434 299 G HA2 -0.175 3.787 3.960 0.003 0.000 0.671 299 G HA3 -0.175 3.787 3.960 0.003 0.000 0.671 299 G C -1.185 173.715 174.900 -0.000 0.000 1.280 299 G CA -0.953 44.147 45.100 -0.001 0.000 0.975 299 G HN 0.223 nan 8.290 nan 0.000 0.510 300 E N -0.332 119.868 120.200 -0.000 0.000 2.383 300 E HA 0.544 4.896 4.350 0.003 0.000 0.264 300 E C 0.712 177.313 176.600 0.002 0.000 1.050 300 E CA -0.052 56.349 56.400 0.000 0.000 0.896 300 E CB 0.343 30.043 29.700 -0.001 0.000 0.982 300 E HN 0.774 nan 8.360 nan 0.000 0.424 301 M N 2.589 122.191 119.600 0.003 0.000 2.550 301 M HA 0.533 5.015 4.480 0.003 0.000 0.292 301 M C -0.999 175.304 176.300 0.006 0.000 1.221 301 M CA -1.006 54.297 55.300 0.005 0.000 0.873 301 M CB 2.321 34.925 32.600 0.007 0.000 1.727 301 M HN 0.303 nan 8.290 nan 0.000 0.459 302 R N 2.341 122.845 120.500 0.007 0.000 2.476 302 R HA 0.733 5.075 4.340 0.003 0.000 0.305 302 R C -2.145 174.162 176.300 0.012 0.000 0.965 302 R CA -0.423 55.681 56.100 0.008 0.000 0.867 302 R CB 1.449 31.752 30.300 0.006 0.000 1.176 302 R HN 0.972 nan 8.270 nan 0.000 0.447 303 I N 3.807 124.387 120.570 0.016 0.000 2.355 303 I HA 0.236 4.408 4.170 0.003 0.000 0.288 303 I C -0.052 176.080 176.117 0.025 0.000 0.999 303 I CA -0.713 60.600 61.300 0.022 0.000 1.163 303 I CB 1.947 39.964 38.000 0.028 0.000 1.316 303 I HN 0.496 nan 8.210 nan 0.000 0.454 304 E N 4.346 124.560 120.200 0.024 0.000 2.344 304 E HA 0.363 4.715 4.350 0.003 0.000 0.270 304 E C -0.204 176.421 176.600 0.041 0.000 1.021 304 E CA 0.140 56.557 56.400 0.027 0.000 0.887 304 E CB 1.361 31.075 29.700 0.022 0.000 0.997 304 E HN 0.535 nan 8.360 nan 0.000 0.429 305 T N 1.048 115.632 114.554 0.050 0.000 2.827 305 T HA 0.122 4.473 4.350 0.003 0.000 0.328 305 T C -1.536 173.222 174.700 0.098 0.000 1.598 305 T CA -0.749 61.399 62.100 0.080 0.000 1.043 305 T CB 1.112 70.035 68.868 0.091 0.000 1.447 305 T HN 0.562 nan 8.240 nan 0.000 0.491 306 D N 1.114 121.609 120.400 0.159 0.000 2.535 306 D HA 0.269 4.911 4.640 0.003 0.000 0.229 306 D C -0.344 176.184 176.300 0.380 0.000 1.238 306 D CA -0.149 53.964 54.000 0.188 0.000 0.824 306 D CB -0.023 40.866 40.800 0.148 0.000 1.045 306 D HN 0.261 nan 8.370 nan 0.000 0.500 307 F N 0.927 120.969 119.950 0.153 0.000 2.653 307 F HA 0.480 5.009 4.527 0.003 0.000 0.327 307 F C -1.971 173.901 175.800 0.120 0.000 1.195 307 F CA -0.836 57.278 58.000 0.191 0.000 0.993 307 F CB 1.704 40.743 39.000 0.065 0.000 1.259 307 F HN -0.221 nan 8.300 nan 0.000 0.478 308 V N 6.948 126.662 119.914 -0.333 0.000 2.487 308 V HA 0.429 4.550 4.120 0.003 0.000 0.298 308 V C -1.096 174.791 176.094 -0.345 0.000 1.028 308 V CA -0.831 61.318 62.300 -0.253 0.000 0.860 308 V CB 1.781 33.538 31.823 -0.111 0.000 0.991 308 V HN 0.626 nan 8.190 nan 0.000 0.427 309 F N 5.691 125.450 119.950 -0.320 0.000 2.426 309 F HA 0.650 5.178 4.527 0.003 0.000 0.348 309 F C -0.455 175.337 175.800 -0.014 0.000 1.124 309 F CA -0.667 57.249 58.000 -0.140 0.000 1.008 309 F CB 1.172 40.227 39.000 0.091 0.000 1.139 309 F HN 0.321 nan 8.300 nan 0.000 0.452 310 L N 6.345 127.174 121.223 -0.655 0.000 2.260 310 L HA 0.431 4.772 4.340 0.003 0.000 0.289 310 L C 0.658 177.176 176.870 -0.586 0.000 1.057 310 L CA -0.562 54.020 54.840 -0.430 0.000 0.811 310 L CB 1.045 42.918 42.059 -0.310 0.000 1.184 310 L HN 0.910 nan 8.230 nan 0.000 0.429 311 G N 5.508 114.211 108.800 -0.161 0.000 4.829 311 G HA2 0.513 4.474 3.960 0.003 0.000 0.320 311 G HA3 0.513 4.474 3.960 0.003 0.000 0.320 311 G C -0.172 174.728 174.900 -0.000 0.000 1.445 311 G CA -0.285 44.819 45.100 0.007 0.000 1.151 311 G HN 0.355 nan 8.290 nan 0.000 0.572 312 L N 0.502 121.696 121.223 -0.048 0.000 2.400 312 L HA 0.666 5.008 4.340 0.003 0.000 0.264 312 L C 1.297 178.159 176.870 -0.013 0.000 1.061 312 L CA -1.205 53.621 54.840 -0.024 0.000 0.799 312 L CB 1.138 43.175 42.059 -0.036 0.000 1.240 312 L HN 0.327 nan 8.230 nan 0.000 0.461 313 G N 0.243 109.038 108.800 -0.008 0.000 2.491 313 G HA2 0.138 4.099 3.960 0.003 0.000 0.238 313 G HA3 0.138 4.099 3.960 0.003 0.000 0.238 313 G C -0.357 174.543 174.900 0.000 0.000 1.277 313 G CA -0.187 44.909 45.100 -0.006 0.000 0.851 313 G HN 0.595 nan 8.290 nan 0.000 0.573 314 E N 0.045 120.246 120.200 0.001 0.000 2.366 314 E HA 0.240 4.591 4.350 0.003 0.000 0.266 314 E C -0.062 176.547 176.600 0.014 0.000 1.051 314 E CA -0.102 56.311 56.400 0.022 0.000 0.884 314 E CB 0.650 30.361 29.700 0.019 0.000 1.006 314 E HN 0.292 nan 8.360 nan 0.000 0.417 315 Q N 3.838 123.649 119.800 0.019 0.000 2.333 315 Q HA 0.380 4.722 4.340 0.003 0.000 0.265 315 Q C -2.287 173.718 176.000 0.008 0.000 0.989 315 Q CA -2.591 53.217 55.803 0.008 0.000 0.842 315 Q CB 1.123 29.863 28.738 0.003 0.000 1.262 315 Q HN 0.352 nan 8.270 nan 0.000 0.451 316 P HA -0.035 nan 4.420 nan 0.000 0.262 316 P C -0.311 176.987 177.300 -0.004 0.000 1.182 316 P CA 0.340 63.440 63.100 -0.000 0.000 0.761 316 P CB 0.433 32.130 31.700 -0.004 0.000 0.795 317 R N 2.233 122.729 120.500 -0.006 0.000 3.701 317 R HA 0.093 4.435 4.340 0.003 0.000 0.210 317 R C 0.937 177.229 176.300 -0.014 0.000 1.598 317 R CA 0.109 56.200 56.100 -0.014 0.000 1.427 317 R CB -0.334 29.951 30.300 -0.025 0.000 1.339 317 R HN 0.553 nan 8.270 nan 0.000 0.720 318 S N -0.432 115.261 115.700 -0.012 0.000 2.483 318 S HA 0.040 4.512 4.470 0.003 0.000 0.221 318 S C 2.072 176.666 174.600 -0.012 0.000 1.030 318 S CA 0.235 58.429 58.200 -0.011 0.000 0.925 318 S CB 0.318 63.513 63.200 -0.009 0.000 0.795 318 S HN 0.440 nan 8.310 nan 0.000 0.511 319 A N 2.873 125.686 122.820 -0.012 0.000 1.891 319 A HA -0.349 3.973 4.320 0.003 0.000 0.221 319 A C 2.104 179.682 177.584 -0.011 0.000 1.394 319 A CA 2.418 54.448 52.037 -0.012 0.000 0.730 319 A CB -1.565 17.427 19.000 -0.013 0.000 0.845 319 A HN 0.699 nan 8.150 nan 0.000 0.471 320 E N -0.490 119.702 120.200 -0.014 0.000 2.033 320 E HA -0.221 4.131 4.350 0.003 0.000 0.199 320 E C 2.058 178.653 176.600 -0.009 0.000 1.011 320 E CA 1.627 58.020 56.400 -0.012 0.000 0.815 320 E CB -0.298 29.392 29.700 -0.016 0.000 0.755 320 E HN 0.617 nan 8.360 nan 0.000 0.451 321 L N 0.291 121.508 121.223 -0.011 0.000 2.079 321 L HA -0.184 4.158 4.340 0.003 0.000 0.210 321 L C 2.696 179.562 176.870 -0.006 0.000 1.081 321 L CA 1.037 55.872 54.840 -0.008 0.000 0.752 321 L CB -0.506 41.547 42.059 -0.010 0.000 0.896 321 L HN 0.254 nan 8.230 nan 0.000 0.433 322 A N -0.103 122.713 122.820 -0.007 0.000 1.969 322 A HA -0.229 4.093 4.320 0.003 0.000 0.218 322 A C 2.420 180.001 177.584 -0.004 0.000 1.169 322 A CA 1.806 53.839 52.037 -0.007 0.000 0.635 322 A CB -0.334 18.661 19.000 -0.007 0.000 0.810 322 A HN 0.344 nan 8.150 nan 0.000 0.445 323 K N -0.372 120.026 120.400 -0.004 0.000 2.076 323 K HA 0.063 4.385 4.320 0.003 0.000 0.204 323 K C 1.752 178.352 176.600 0.001 0.000 1.051 323 K CA 1.049 57.335 56.287 -0.002 0.000 0.949 323 K CB -0.214 32.284 32.500 -0.003 0.000 0.726 323 K HN 0.481 nan 8.250 nan 0.000 0.443 324 I N 0.936 121.507 120.570 0.001 0.000 2.252 324 I HA -0.234 3.937 4.170 0.003 0.000 0.245 324 I C 1.805 177.927 176.117 0.008 0.000 1.102 324 I CA 1.114 62.417 61.300 0.006 0.000 1.385 324 I CB 0.028 38.032 38.000 0.006 0.000 1.064 324 I HN 0.156 nan 8.210 nan 0.000 0.414 325 L N -0.120 121.106 121.223 0.005 0.000 2.590 325 L HA 0.315 4.657 4.340 0.003 0.000 0.227 325 L C 1.189 178.061 176.870 0.003 0.000 1.099 325 L CA 0.313 55.156 54.840 0.006 0.000 0.872 325 L CB 0.009 42.069 42.059 0.000 0.000 1.088 325 L HN 0.401 nan 8.230 nan 0.000 0.479 326 G N 1.763 110.563 108.800 0.000 0.000 2.289 326 G HA2 -0.248 3.713 3.960 0.003 0.000 0.280 326 G HA3 -0.248 3.713 3.960 0.003 0.000 0.280 326 G C -0.091 174.806 174.900 -0.005 0.000 1.089 326 G CA -0.248 44.852 45.100 -0.001 0.000 0.939 326 G HN 0.176 nan 8.290 nan 0.000 0.499 327 L N 0.138 121.356 121.223 -0.007 0.000 2.397 327 L HA 0.361 4.702 4.340 0.003 0.000 0.271 327 L C 0.247 177.110 176.870 -0.011 0.000 1.148 327 L CA -0.864 53.969 54.840 -0.011 0.000 0.825 327 L CB 0.553 42.605 42.059 -0.012 0.000 1.117 327 L HN 0.052 nan 8.230 nan 0.000 0.456 328 D N 3.380 123.772 120.400 -0.013 0.000 2.351 328 D HA 0.435 5.077 4.640 0.003 0.000 0.251 328 D C -0.173 176.120 176.300 -0.012 0.000 1.137 328 D CA 0.158 54.151 54.000 -0.012 0.000 0.879 328 D CB 1.077 41.870 40.800 -0.013 0.000 1.181 328 D HN 0.219 nan 8.370 nan 0.000 0.448 329 L N 0.973 122.190 121.223 -0.010 0.000 2.313 329 L HA 0.662 5.003 4.340 0.003 0.000 0.268 329 L C 1.194 178.058 176.870 -0.010 0.000 1.010 329 L CA -1.056 53.778 54.840 -0.010 0.000 0.814 329 L CB 1.746 43.800 42.059 -0.009 0.000 1.304 329 L HN 0.324 nan 8.230 nan 0.000 0.441 330 G N -0.268 108.526 108.800 -0.010 0.000 2.557 330 G HA2 0.405 4.366 3.960 0.003 0.000 0.302 330 G HA3 0.405 4.366 3.960 0.003 0.000 0.302 330 G C -1.769 173.126 174.900 -0.008 0.000 1.311 330 G CA -0.845 44.249 45.100 -0.010 0.000 1.030 330 G HN 0.479 nan 8.290 nan 0.000 0.509 331 P HA -0.072 nan 4.420 nan 0.000 0.218 331 P C 0.904 178.200 177.300 -0.007 0.000 1.148 331 P CA 1.231 64.327 63.100 -0.007 0.000 0.822 331 P CB 0.326 32.022 31.700 -0.006 0.000 0.784 332 K N -1.171 119.225 120.400 -0.007 0.000 2.410 332 K HA 0.273 4.594 4.320 0.003 0.000 0.200 332 K C 1.101 177.697 176.600 -0.007 0.000 1.023 332 K CA 0.520 56.803 56.287 -0.007 0.000 1.149 332 K CB -0.016 32.480 32.500 -0.006 0.000 0.859 332 K HN 0.164 nan 8.250 nan 0.000 0.514 333 G N 2.501 111.297 108.800 -0.008 0.000 2.176 333 G HA2 -0.261 3.700 3.960 0.003 0.000 0.253 333 G HA3 -0.261 3.700 3.960 0.003 0.000 0.253 333 G C -0.054 174.841 174.900 -0.008 0.000 0.979 333 G CA 0.244 45.340 45.100 -0.008 0.000 0.641 333 G HN 0.457 nan 8.290 nan 0.000 0.530 334 E N 1.144 121.339 120.200 -0.009 0.000 2.398 334 E HA 0.370 4.721 4.350 0.003 0.000 0.263 334 E C 0.204 176.799 176.600 -0.009 0.000 1.046 334 E CA -0.341 56.053 56.400 -0.009 0.000 0.908 334 E CB 1.555 31.248 29.700 -0.012 0.000 0.963 334 E HN 0.341 nan 8.360 nan 0.000 0.431 335 V N 4.060 123.970 119.914 -0.007 0.000 2.508 335 V HA 0.070 4.191 4.120 0.003 0.000 0.281 335 V C 0.735 176.824 176.094 -0.009 0.000 1.041 335 V CA -0.382 61.913 62.300 -0.007 0.000 1.016 335 V CB 0.359 32.180 31.823 -0.003 0.000 0.984 335 V HN 0.512 nan 8.190 nan 0.000 0.478 336 L N 6.483 127.698 121.223 -0.013 0.000 2.380 336 L HA 0.549 4.891 4.340 0.003 0.000 0.273 336 L C -0.055 176.804 176.870 -0.019 0.000 1.138 336 L CA -0.039 54.791 54.840 -0.016 0.000 0.832 336 L CB 1.071 43.120 42.059 -0.017 0.000 1.124 336 L HN 0.634 nan 8.230 nan 0.000 0.454 337 V N -0.623 119.280 119.914 -0.019 0.000 3.147 337 V HA 0.569 4.691 4.120 0.003 0.000 0.306 337 V C -0.634 175.445 176.094 -0.026 0.000 1.209 337 V CA -1.154 61.135 62.300 -0.018 0.000 1.023 337 V CB 1.860 33.687 31.823 0.007 0.000 1.059 337 V HN 0.830 nan 8.190 nan 0.000 0.435 338 N N 0.879 119.565 118.700 -0.024 0.000 2.431 338 N HA 0.231 4.972 4.740 0.003 0.000 0.289 338 N C 0.833 176.285 175.510 -0.097 0.000 1.277 338 N CA -0.060 52.960 53.050 -0.050 0.000 0.972 338 N CB -0.029 38.450 38.487 -0.015 0.000 1.143 338 N HN 0.927 nan 8.380 nan 0.000 0.578 339 E N -1.806 118.247 120.200 -0.244 0.000 2.401 339 E HA -0.202 4.150 4.350 0.003 0.000 0.199 339 E C -0.059 176.342 176.600 -0.332 0.000 1.023 339 E CA 1.062 57.255 56.400 -0.346 0.000 0.859 339 E CB -0.538 28.862 29.700 -0.499 0.000 0.780 339 E HN 0.643 nan 8.360 nan 0.000 0.523 340 Y N 0.441 120.809 120.300 0.112 0.000 2.571 340 Y HA 0.261 4.812 4.550 0.003 0.000 0.275 340 Y C 0.378 176.423 175.900 0.242 0.000 1.179 340 Y CA -0.686 57.523 58.100 0.182 0.000 1.242 340 Y CB 0.633 39.185 38.460 0.153 0.000 1.126 340 Y HN -0.078 nan 8.280 nan 0.000 0.524 341 L N -0.603 120.770 121.223 0.249 0.000 4.496 341 L HA -0.326 4.015 4.340 0.003 0.000 0.419 341 L C -0.239 176.717 176.870 0.143 0.000 1.139 341 L CA 0.860 55.847 54.840 0.246 0.000 0.975 341 L CB -2.491 39.787 42.059 0.366 0.000 2.099 341 L HN 0.439 nan 8.230 nan 0.000 0.818 342 Q N 0.298 120.076 119.800 -0.037 0.000 2.279 342 Q HA 0.453 4.795 4.340 0.003 0.000 0.256 342 Q C 1.199 177.101 176.000 -0.163 0.000 0.937 342 Q CA 0.350 55.954 55.803 -0.332 0.000 0.933 342 Q CB 1.534 30.081 28.738 -0.318 0.000 1.189 342 Q HN 0.440 nan 8.270 nan 0.000 0.417 343 T N -1.761 112.689 114.554 -0.173 0.000 2.801 343 T HA 0.066 4.418 4.350 0.003 0.000 0.324 343 T C 1.379 176.030 174.700 -0.083 0.000 1.088 343 T CA 0.001 62.047 62.100 -0.089 0.000 0.975 343 T CB 0.468 69.297 68.868 -0.066 0.000 1.316 343 T HN 0.606 nan 8.240 nan 0.000 0.533 344 S N -1.251 114.417 115.700 -0.052 0.000 2.496 344 S HA 0.135 4.606 4.470 0.003 0.000 0.224 344 S C 0.629 175.205 174.600 -0.039 0.000 0.996 344 S CA -0.376 57.801 58.200 -0.039 0.000 0.927 344 S CB -0.437 62.748 63.200 -0.024 0.000 0.774 344 S HN 0.544 nan 8.310 nan 0.000 0.524 345 V N 4.002 123.888 119.914 -0.047 0.000 2.432 345 V HA 0.377 4.499 4.120 0.003 0.000 0.275 345 V C -2.431 173.630 176.094 -0.056 0.000 1.043 345 V CA -2.179 60.099 62.300 -0.036 0.000 0.925 345 V CB 0.856 32.665 31.823 -0.025 0.000 0.985 345 V HN 0.165 nan 8.190 nan 0.000 0.466 346 P HA 0.053 nan 4.420 nan 0.000 0.264 346 P C 0.423 177.704 177.300 -0.032 0.000 1.183 346 P CA 0.459 63.546 63.100 -0.022 0.000 0.763 346 P CB 0.122 31.841 31.700 0.032 0.000 0.807 347 N N -0.682 117.984 118.700 -0.057 0.000 2.741 347 N HA -0.137 4.604 4.740 0.003 0.000 0.251 347 N C -0.897 174.593 175.510 -0.033 0.000 1.112 347 N CA 0.727 53.762 53.050 -0.026 0.000 0.750 347 N CB -1.483 36.953 38.487 -0.085 0.000 1.119 347 N HN 0.169 nan 8.380 nan 0.000 0.561 348 V N 1.538 121.391 119.914 -0.101 0.000 2.443 348 V HA 0.436 4.558 4.120 0.003 0.000 0.293 348 V C -0.283 175.751 176.094 -0.100 0.000 1.021 348 V CA -0.658 61.617 62.300 -0.042 0.000 0.848 348 V CB 1.223 33.011 31.823 -0.057 0.000 0.998 348 V HN 0.039 nan 8.190 nan 0.000 0.424 349 Y N 2.280 122.537 120.300 -0.071 0.000 2.496 349 Y HA 0.849 5.401 4.550 0.003 0.000 0.331 349 Y C 0.434 176.311 175.900 -0.038 0.000 1.140 349 Y CA -0.914 57.163 58.100 -0.038 0.000 1.166 349 Y CB 1.995 40.431 38.460 -0.040 0.000 1.249 349 Y HN 0.686 nan 8.280 nan 0.000 0.479 350 A N 1.260 124.169 122.820 0.148 0.000 2.393 350 A HA 0.880 5.201 4.320 0.003 0.000 0.306 350 A C -1.171 176.473 177.584 0.100 0.000 1.050 350 A CA -0.556 51.532 52.037 0.085 0.000 0.724 350 A CB 1.019 20.044 19.000 0.041 0.000 1.248 350 A HN 0.875 nan 8.150 nan 0.000 0.424 351 V N -0.862 119.102 119.914 0.082 0.000 3.182 351 V HA 1.007 5.129 4.120 0.003 0.000 0.308 351 V C 0.660 176.783 176.094 0.049 0.000 1.240 351 V CA -0.004 62.344 62.300 0.081 0.000 1.063 351 V CB 0.738 32.625 31.823 0.108 0.000 1.076 351 V HN 2.854 nan 8.190 nan 0.000 0.446 352 G N 0.865 109.681 108.800 0.025 0.000 2.552 352 G HA2 -0.238 3.723 3.960 0.003 0.000 0.265 352 G HA3 -0.238 3.723 3.960 0.003 0.000 0.265 352 G C 0.144 175.029 174.900 -0.025 0.000 1.234 352 G CA 0.842 45.937 45.100 -0.009 0.000 0.944 352 G HN 1.086 nan 8.290 nan 0.000 0.568 353 D N -0.190 120.197 120.400 -0.021 0.000 2.263 353 D HA -0.000 4.641 4.640 0.003 0.000 0.208 353 D C 2.460 178.754 176.300 -0.010 0.000 0.971 353 D CA 1.049 55.035 54.000 -0.023 0.000 0.867 353 D CB -0.092 40.705 40.800 -0.005 0.000 0.929 353 D HN 0.354 nan 8.370 nan 0.000 0.492 354 L N 0.917 122.141 121.223 0.001 0.000 2.191 354 L HA -0.067 4.275 4.340 0.003 0.000 0.212 354 L C 1.724 178.593 176.870 -0.001 0.000 1.103 354 L CA 1.302 56.144 54.840 0.003 0.000 0.769 354 L CB -0.359 41.707 42.059 0.012 0.000 0.908 354 L HN 0.150 nan 8.230 nan 0.000 0.438 355 I N -3.413 117.155 120.570 -0.004 0.000 3.875 355 I HA 0.532 4.704 4.170 0.003 0.000 0.329 355 I C 0.986 177.090 176.117 -0.021 0.000 1.295 355 I CA 0.148 61.443 61.300 -0.008 0.000 1.129 355 I CB -0.789 37.211 38.000 0.001 0.000 1.008 355 I HN 0.225 nan 8.210 nan 0.000 0.413 356 G N 0.942 109.727 108.800 -0.025 0.000 2.548 356 G HA2 -0.054 3.908 3.960 0.003 0.000 0.208 356 G HA3 -0.054 3.908 3.960 0.003 0.000 0.208 356 G C -0.000 174.872 174.900 -0.047 0.000 1.308 356 G CA -0.573 44.509 45.100 -0.029 0.000 0.924 356 G HN 0.699 nan 8.290 nan 0.000 0.540 357 G N 0.709 109.487 108.800 -0.037 0.000 2.539 357 G HA2 0.677 4.638 3.960 0.003 0.000 0.258 357 G HA3 0.677 4.638 3.960 0.003 0.000 0.258 357 G C -1.566 173.297 174.900 -0.061 0.000 1.202 357 G CA 0.041 45.114 45.100 -0.045 0.000 0.851 357 G HN 0.753 nan 8.290 nan 0.000 0.556 358 P HA 0.187 nan 4.420 nan 0.000 0.280 358 P C -0.417 176.751 177.300 -0.220 0.000 1.244 358 P CA -0.177 62.843 63.100 -0.133 0.000 0.784 358 P CB 1.098 32.676 31.700 -0.203 0.000 0.913 359 M N 3.019 122.532 119.600 -0.145 0.000 2.923 359 M HA 0.177 4.658 4.480 0.003 0.000 0.311 359 M C 0.215 176.410 176.300 -0.174 0.000 1.376 359 M CA 0.286 55.498 55.300 -0.146 0.000 1.468 359 M CB 0.077 32.631 32.600 -0.078 0.000 1.151 359 M HN 0.224 nan 8.290 nan 0.000 0.517 360 E N 1.168 121.178 120.200 -0.317 0.000 2.392 360 E HA 0.373 4.725 4.350 0.003 0.000 0.269 360 E C 0.435 176.832 176.600 -0.339 0.000 0.924 360 E CA -0.654 55.565 56.400 -0.301 0.000 0.784 360 E CB 1.550 31.017 29.700 -0.390 0.000 1.292 360 E HN 0.422 nan 8.360 nan 0.000 0.447 361 M N 0.426 119.936 119.600 -0.150 0.000 2.159 361 M HA -0.072 4.409 4.480 0.003 0.000 0.263 361 M C 2.078 178.262 176.300 -0.195 0.000 1.063 361 M CA 1.447 56.669 55.300 -0.129 0.000 1.110 361 M CB -1.023 31.559 32.600 -0.030 0.000 1.374 361 M HN 0.568 nan 8.290 nan 0.000 0.411 362 F N 0.630 120.513 119.950 -0.111 0.000 2.171 362 F HA -0.094 4.434 4.527 0.003 0.000 0.300 362 F C 2.178 177.904 175.800 -0.123 0.000 1.090 362 F CA 1.256 59.177 58.000 -0.131 0.000 1.293 362 F CB -1.008 37.939 39.000 -0.088 0.000 1.013 362 F HN -0.056 nan 8.300 nan 0.000 0.486 363 K N 1.549 121.288 120.400 -1.102 0.000 2.057 363 K HA 0.002 4.324 4.320 0.003 0.000 0.206 363 K C 2.261 178.698 176.600 -0.273 0.000 1.050 363 K CA 1.301 57.204 56.287 -0.640 0.000 0.935 363 K CB -0.777 31.218 32.500 -0.842 0.000 0.715 363 K HN 0.410 nan 8.250 nan 0.000 0.439 364 A N 1.378 124.032 122.820 -0.277 0.000 1.855 364 A HA -0.150 4.172 4.320 0.003 0.000 0.215 364 A C 2.271 179.782 177.584 -0.120 0.000 1.191 364 A CA 1.504 53.455 52.037 -0.143 0.000 0.613 364 A CB -0.438 18.496 19.000 -0.110 0.000 0.829 364 A HN 0.341 nan 8.150 nan 0.000 0.442 365 R N -0.189 120.181 120.500 -0.216 0.000 2.073 365 R HA -0.101 4.241 4.340 0.003 0.000 0.234 365 R C 2.271 178.491 176.300 -0.132 0.000 1.134 365 R CA 1.745 57.675 56.100 -0.283 0.000 0.952 365 R CB -0.288 29.542 30.300 -0.784 0.000 0.850 365 R HN 0.501 nan 8.270 nan 0.000 0.433 366 K N 0.337 120.631 120.400 -0.177 0.000 2.057 366 K HA -0.087 4.235 4.320 0.003 0.000 0.206 366 K C 2.352 178.755 176.600 -0.328 0.000 1.050 366 K CA 1.700 57.844 56.287 -0.238 0.000 0.935 366 K CB -0.109 32.128 32.500 -0.438 0.000 0.715 366 K HN 0.189 nan 8.250 nan 0.000 0.439 367 S N 0.590 116.105 115.700 -0.309 0.000 2.382 367 S HA -0.121 4.351 4.470 0.003 0.000 0.228 367 S C 2.274 176.898 174.600 0.041 0.000 1.027 367 S CA 1.192 59.326 58.200 -0.110 0.000 0.991 367 S CB -0.921 62.325 63.200 0.078 0.000 0.823 367 S HN 0.387 nan 8.310 nan 0.000 0.469 368 G N 0.524 109.360 108.800 0.060 0.000 2.418 368 G HA2 -0.184 3.778 3.960 0.003 0.000 0.217 368 G HA3 -0.184 3.778 3.960 0.003 0.000 0.217 368 G C 1.548 176.543 174.900 0.159 0.000 1.158 368 G CA 1.035 46.230 45.100 0.158 0.000 0.771 368 G HN 0.634 nan 8.290 nan 0.000 0.545 369 C N -0.599 118.757 119.300 0.093 0.000 2.446 369 C HA 0.058 4.519 4.460 0.003 0.000 0.277 369 C C 2.459 177.356 174.990 -0.156 0.000 1.275 369 C CA 0.352 59.331 59.018 -0.064 0.000 1.727 369 C CB -1.091 26.520 27.740 -0.215 0.000 2.010 369 C HN 0.511 nan 8.230 nan 0.000 0.486 370 Y N 1.635 121.793 120.300 -0.237 0.000 2.181 370 Y HA -0.094 4.458 4.550 0.003 0.000 0.288 370 Y C 2.671 178.535 175.900 -0.060 0.000 1.146 370 Y CA 1.339 59.346 58.100 -0.155 0.000 1.164 370 Y CB -1.088 37.301 38.460 -0.118 0.000 0.982 370 Y HN 0.274 nan 8.280 nan 0.000 0.515 371 A N -0.031 122.860 122.820 0.118 0.000 1.933 371 A HA -0.143 4.178 4.320 0.003 0.000 0.218 371 A C 2.469 179.908 177.584 -0.242 0.000 1.175 371 A CA 1.863 53.870 52.037 -0.051 0.000 0.628 371 A CB -1.197 17.784 19.000 -0.032 0.000 0.814 371 A HN 0.398 nan 8.150 nan 0.000 0.444 372 A N -0.119 122.660 122.820 -0.068 0.000 1.902 372 A HA -0.154 4.167 4.320 0.003 0.000 0.217 372 A C 2.235 179.801 177.584 -0.030 0.000 1.181 372 A CA 1.528 53.562 52.037 -0.004 0.000 0.623 372 A CB -0.446 18.664 19.000 0.183 0.000 0.818 372 A HN 0.558 nan 8.150 nan 0.000 0.443 373 R N -0.207 120.257 120.500 -0.059 0.000 2.096 373 R HA -0.104 4.238 4.340 0.003 0.000 0.235 373 R C 1.961 178.242 176.300 -0.030 0.000 1.127 373 R CA 1.657 57.731 56.100 -0.044 0.000 0.968 373 R CB -0.467 29.733 30.300 -0.168 0.000 0.861 373 R HN 0.696 nan 8.270 nan 0.000 0.440 374 N N -0.075 118.606 118.700 -0.032 0.000 2.188 374 N HA -0.117 4.625 4.740 0.003 0.000 0.184 374 N C 1.604 177.097 175.510 -0.029 0.000 1.018 374 N CA 0.830 53.891 53.050 0.019 0.000 0.858 374 N CB 0.094 38.684 38.487 0.171 0.000 0.989 374 N HN -0.025 nan 8.380 nan 0.000 0.426 375 V N 1.182 120.988 119.914 -0.179 0.000 2.515 375 V HA -0.111 4.011 4.120 0.003 0.000 0.250 375 V C 1.703 177.775 176.094 -0.038 0.000 1.058 375 V CA 1.146 63.350 62.300 -0.159 0.000 1.064 375 V CB -0.212 31.444 31.823 -0.280 0.000 0.675 375 V HN 0.413 nan 8.190 nan 0.000 0.461 376 M N -0.346 119.243 119.600 -0.018 0.000 2.568 376 M HA 0.271 4.753 4.480 0.003 0.000 0.226 376 M C 1.681 177.989 176.300 0.015 0.000 1.148 376 M CA 0.906 56.214 55.300 0.014 0.000 1.007 376 M CB -0.681 31.941 32.600 0.036 0.000 1.651 376 M HN 0.511 nan 8.290 nan 0.000 0.488 377 G N 0.789 109.595 108.800 0.010 0.000 2.195 377 G HA2 -0.247 3.714 3.960 0.003 0.000 0.246 377 G HA3 -0.247 3.714 3.960 0.003 0.000 0.246 377 G C 0.187 175.087 174.900 -0.000 0.000 0.984 377 G CA 0.198 45.303 45.100 0.007 0.000 0.633 377 G HN 0.524 nan 8.290 nan 0.000 0.525 378 E N 1.155 121.357 120.200 0.003 0.000 1.893 378 E HA 0.354 4.705 4.350 0.003 0.000 0.269 378 E C 0.564 177.164 176.600 0.001 0.000 1.129 378 E CA -0.589 55.812 56.400 0.002 0.000 0.904 378 E CB 0.000 29.703 29.700 0.004 0.000 1.077 378 E HN 0.308 nan 8.360 nan 0.000 0.407 379 K N 5.944 126.332 120.400 -0.021 0.000 2.315 379 K HA 0.073 4.395 4.320 0.003 0.000 0.281 379 K C -0.699 175.951 176.600 0.084 0.000 1.086 379 K CA 0.153 56.403 56.287 -0.062 0.000 1.042 379 K CB 0.094 32.499 32.500 -0.158 0.000 0.949 379 K HN 0.576 nan 8.250 nan 0.000 0.450 380 I N 3.358 124.061 120.570 0.221 0.000 2.569 380 I HA 0.188 4.359 4.170 0.003 0.000 0.290 380 I C -0.653 175.794 176.117 0.550 0.000 1.088 380 I CA -0.456 61.036 61.300 0.320 0.000 1.047 380 I CB 1.948 40.023 38.000 0.126 0.000 1.237 380 I HN 0.687 nan 8.210 nan 0.000 0.421 381 S N 6.158 122.133 115.700 0.459 0.000 2.610 381 S HA 0.503 4.975 4.470 0.003 0.000 0.273 381 S C -0.957 173.830 174.600 0.311 0.000 1.274 381 S CA -0.352 57.988 58.200 0.234 0.000 1.023 381 S CB 1.533 64.721 63.200 -0.020 0.000 0.962 381 S HN 0.598 nan 8.310 nan 0.000 0.523 382 Y N 1.491 121.780 120.300 -0.018 0.000 2.315 382 Y HA 0.464 5.016 4.550 0.003 0.000 0.324 382 Y C -0.864 174.956 175.900 -0.134 0.000 1.062 382 Y CA -0.688 57.310 58.100 -0.169 0.000 1.159 382 Y CB 1.569 39.753 38.460 -0.459 0.000 1.145 382 Y HN 0.999 nan 8.280 nan 0.000 0.442 383 T N 5.474 119.713 114.554 -0.526 0.000 3.009 383 T HA 0.438 4.790 4.350 0.003 0.000 0.346 383 T C -3.028 171.380 174.700 -0.487 0.000 1.092 383 T CA -1.862 59.956 62.100 -0.468 0.000 1.080 383 T CB 1.162 69.904 68.868 -0.210 0.000 1.037 383 T HN 0.497 nan 8.240 nan 0.000 0.487 384 P HA 0.232 nan 4.420 nan 0.000 0.260 384 P C -0.611 176.761 177.300 0.120 0.000 1.185 384 P CA 0.075 63.042 63.100 -0.220 0.000 0.763 384 P CB 0.630 32.218 31.700 -0.187 0.000 0.776 385 K N 3.040 123.578 120.400 0.230 0.000 2.568 385 K HA 0.163 4.484 4.320 0.003 0.000 0.273 385 K C -0.676 175.956 176.600 0.053 0.000 0.951 385 K CA -0.650 55.718 56.287 0.134 0.000 0.854 385 K CB 1.078 33.591 32.500 0.023 0.000 1.424 385 K HN 0.284 nan 8.250 nan 0.000 0.427 386 N N 1.960 120.558 118.700 -0.170 0.000 2.696 386 N HA -0.231 4.510 4.740 0.003 0.000 0.256 386 N C -1.429 173.996 175.510 -0.140 0.000 1.031 386 N CA 1.400 54.337 53.050 -0.189 0.000 0.730 386 N CB -1.507 36.931 38.487 -0.081 0.000 0.894 386 N HN 0.497 nan 8.380 nan 0.000 0.544 387 Y N -1.436 118.831 120.300 -0.055 0.000 2.487 387 Y HA 0.851 5.403 4.550 0.003 0.000 0.337 387 Y C -2.298 173.531 175.900 -0.117 0.000 1.076 387 Y CA -2.703 55.295 58.100 -0.171 0.000 1.115 387 Y CB 0.522 38.778 38.460 -0.340 0.000 1.235 387 Y HN -0.072 nan 8.280 nan 0.000 0.468 388 P HA 0.289 nan 4.420 nan 0.000 0.276 388 P C -1.185 176.165 177.300 0.083 0.000 1.252 388 P CA 0.110 63.241 63.100 0.052 0.000 0.802 388 P CB 1.846 33.581 31.700 0.058 0.000 1.035 389 D N -0.662 119.675 120.400 -0.105 0.000 2.596 389 D HA 0.665 5.307 4.640 0.003 0.000 0.262 389 D C -1.463 174.423 176.300 -0.690 0.000 1.210 389 D CA -0.289 53.560 54.000 -0.252 0.000 0.873 389 D CB 1.684 42.406 40.800 -0.131 0.000 1.408 389 D HN 0.353 nan 8.370 nan 0.000 0.441 390 F N 0.105 119.683 119.950 -0.621 0.000 2.773 390 F HA 0.749 5.278 4.527 0.003 0.000 0.314 390 F C -2.360 173.346 175.800 -0.157 0.000 1.160 390 F CA -1.053 56.633 58.000 -0.522 0.000 0.920 390 F CB 0.572 39.349 39.000 -0.372 0.000 1.323 390 F HN 0.328 nan 8.300 nan 0.000 0.457 391 L N -0.414 120.737 121.223 -0.119 0.000 2.775 391 L HA 0.659 5.001 4.340 0.003 0.000 0.263 391 L C -1.915 174.974 176.870 0.031 0.000 1.017 391 L CA -0.795 53.958 54.840 -0.144 0.000 0.891 391 L CB 1.911 43.987 42.059 0.028 0.000 1.482 391 L HN 0.811 nan 8.230 nan 0.000 0.410 392 H N -0.224 118.955 119.070 0.183 0.000 2.529 392 H HA 0.786 5.344 4.556 0.003 0.000 0.348 392 H C -0.565 174.818 175.328 0.091 0.000 1.152 392 H CA 0.172 56.326 56.048 0.176 0.000 1.202 392 H CB 2.304 32.164 29.762 0.162 0.000 1.562 392 H HN 1.011 nan 8.280 nan 0.000 0.515 393 T N -1.896 112.792 114.554 0.224 0.000 1.559 393 T HA 0.097 4.449 4.350 0.003 0.000 0.177 393 T C 0.915 175.593 174.700 -0.037 0.000 0.688 393 T CA -0.381 61.759 62.100 0.066 0.000 1.094 393 T CB 0.582 69.543 68.868 0.155 0.000 3.358 393 T HN 0.624 nan 8.240 nan 0.000 0.413 394 H N -0.346 118.791 119.070 0.112 0.000 2.551 394 H HA 0.389 4.947 4.556 0.003 0.000 0.271 394 H C -0.430 174.887 175.328 -0.017 0.000 0.984 394 H CA 0.105 56.155 56.048 0.004 0.000 1.164 394 H CB 0.324 30.002 29.762 -0.140 0.000 1.437 394 H HN 0.375 nan 8.280 nan 0.000 0.550 395 Y N 0.727 121.167 120.300 0.234 0.000 2.630 395 Y HA 0.276 4.827 4.550 0.003 0.000 0.337 395 Y C 0.288 176.250 175.900 0.104 0.000 1.051 395 Y CA -1.092 57.028 58.100 0.033 0.000 1.121 395 Y CB 1.528 39.925 38.460 -0.104 0.000 1.299 395 Y HN -0.131 nan 8.280 nan 0.000 0.498 396 E N 0.869 121.172 120.200 0.171 0.000 2.227 396 E HA 0.483 4.835 4.350 0.003 0.000 0.282 396 E C -1.457 175.203 176.600 0.099 0.000 1.015 396 E CA -0.543 55.939 56.400 0.137 0.000 0.823 396 E CB 1.561 31.332 29.700 0.119 0.000 1.081 396 E HN 0.204 nan 8.360 nan 0.000 0.396 397 V N 3.011 122.994 119.914 0.114 0.000 2.407 397 V HA 0.288 4.410 4.120 0.003 0.000 0.291 397 V C -0.477 175.687 176.094 0.116 0.000 1.018 397 V CA -0.617 61.786 62.300 0.173 0.000 0.842 397 V CB 1.566 33.548 31.823 0.266 0.000 0.996 397 V HN 0.591 nan 8.190 nan 0.000 0.426 398 S N 5.462 121.134 115.700 -0.046 0.000 2.503 398 S HA 0.942 5.413 4.470 0.003 0.000 0.301 398 S C -0.775 173.692 174.600 -0.221 0.000 1.087 398 S CA -0.539 57.357 58.200 -0.508 0.000 1.042 398 S CB 1.485 63.900 63.200 -1.309 0.000 1.043 398 S HN 0.659 nan 8.310 nan 0.000 0.489 399 F N 0.596 120.533 119.950 -0.021 0.000 2.678 399 F HA 0.849 5.377 4.527 0.003 0.000 0.308 399 F C -1.537 174.417 175.800 0.258 0.000 1.118 399 F CA -1.473 56.667 58.000 0.234 0.000 0.959 399 F CB 0.814 39.972 39.000 0.265 0.000 1.305 399 F HN 0.497 nan 8.300 nan 0.000 0.443 400 L N 0.109 121.512 121.223 0.299 0.000 2.582 400 L HA 1.047 5.389 4.340 0.003 0.000 0.257 400 L C -0.014 176.853 176.870 -0.005 0.000 0.974 400 L CA -0.063 54.847 54.840 0.117 0.000 0.851 400 L CB 1.461 43.543 42.059 0.038 0.000 1.424 400 L HN 1.871 nan 8.230 nan 0.000 0.412 401 G N 0.846 109.635 108.800 -0.018 0.000 2.569 401 G HA2 -0.182 3.780 3.960 0.003 0.000 0.259 401 G HA3 -0.182 3.780 3.960 0.003 0.000 0.259 401 G C -0.268 174.654 174.900 0.037 0.000 1.263 401 G CA 0.123 45.200 45.100 -0.037 0.000 0.928 401 G HN 0.930 nan 8.290 nan 0.000 0.572 402 M N 1.336 120.948 119.600 0.021 0.000 2.274 402 M HA 0.519 5.001 4.480 0.003 0.000 0.344 402 M C 1.209 177.621 176.300 0.186 0.000 1.161 402 M CA 0.308 55.639 55.300 0.051 0.000 1.126 402 M CB 1.196 33.763 32.600 -0.055 0.000 1.522 402 M HN 0.939 nan 8.290 nan 0.000 0.461 403 G N 0.420 109.274 108.800 0.090 0.000 2.562 403 G HA2 0.141 4.102 3.960 0.003 0.000 0.275 403 G HA3 0.141 4.102 3.960 0.003 0.000 0.275 403 G C 0.407 175.292 174.900 -0.024 0.000 1.196 403 G CA -0.388 44.689 45.100 -0.040 0.000 0.908 403 G HN 0.938 nan 8.290 nan 0.000 0.524 404 E N -0.239 119.927 120.200 -0.056 0.000 2.038 404 E HA -0.180 4.172 4.350 0.003 0.000 0.195 404 E C 2.136 178.727 176.600 -0.015 0.000 1.000 404 E CA 1.710 58.099 56.400 -0.018 0.000 0.803 404 E CB 0.048 29.742 29.700 -0.011 0.000 0.750 404 E HN 0.592 nan 8.360 nan 0.000 0.448 405 E N 0.613 120.798 120.200 -0.026 0.000 2.110 405 E HA -0.206 4.146 4.350 0.003 0.000 0.193 405 E C 1.877 178.469 176.600 -0.012 0.000 0.988 405 E CA 1.301 57.691 56.400 -0.017 0.000 0.804 405 E CB -0.153 29.531 29.700 -0.025 0.000 0.745 405 E HN 0.376 nan 8.360 nan 0.000 0.458 406 E N 0.525 120.712 120.200 -0.021 0.000 2.058 406 E HA -0.240 4.112 4.350 0.003 0.000 0.194 406 E C 1.979 178.571 176.600 -0.012 0.000 0.997 406 E CA 1.213 57.603 56.400 -0.017 0.000 0.801 406 E CB -0.130 29.556 29.700 -0.023 0.000 0.746 406 E HN 0.253 nan 8.360 nan 0.000 0.450 407 A N 1.371 124.175 122.820 -0.026 0.000 1.902 407 A HA -0.156 4.165 4.320 0.003 0.000 0.217 407 A C 2.217 179.831 177.584 0.050 0.000 1.181 407 A CA 1.439 53.450 52.037 -0.043 0.000 0.623 407 A CB -0.452 18.507 19.000 -0.068 0.000 0.818 407 A HN 0.196 nan 8.150 nan 0.000 0.443 408 R N -0.634 119.889 120.500 0.040 0.000 2.092 408 R HA -0.037 4.305 4.340 0.003 0.000 0.231 408 R C 2.373 178.703 176.300 0.050 0.000 1.119 408 R CA 1.114 57.245 56.100 0.051 0.000 0.970 408 R CB -0.430 29.888 30.300 0.029 0.000 0.864 408 R HN 0.510 nan 8.270 nan 0.000 0.440 409 A N 1.149 123.990 122.820 0.036 0.000 2.015 409 A HA 0.016 4.338 4.320 0.003 0.000 0.219 409 A C 2.131 179.744 177.584 0.048 0.000 1.163 409 A CA 1.352 53.407 52.037 0.030 0.000 0.646 409 A CB -0.213 18.797 19.000 0.016 0.000 0.806 409 A HN 0.342 nan 8.150 nan 0.000 0.448 410 A N -1.614 121.256 122.820 0.084 0.000 2.238 410 A HA 0.414 4.735 4.320 0.003 0.000 0.208 410 A C 1.642 179.323 177.584 0.161 0.000 1.177 410 A CA 1.125 53.241 52.037 0.133 0.000 0.804 410 A CB -0.898 18.201 19.000 0.166 0.000 0.823 410 A HN 1.826 nan 8.150 nan 0.000 0.482 411 G N -1.274 107.590 108.800 0.107 0.000 2.130 411 G HA2 -0.203 3.758 3.960 0.003 0.000 0.216 411 G HA3 -0.203 3.758 3.960 0.003 0.000 0.216 411 G C -0.238 174.626 174.900 -0.060 0.000 0.999 411 G CA 0.232 45.339 45.100 0.011 0.000 0.686 411 G HN 0.702 nan 8.290 nan 0.000 0.515 412 H N 0.352 119.420 119.070 -0.004 0.000 2.504 412 H HA 0.519 5.077 4.556 0.003 0.000 0.322 412 H C 0.189 175.515 175.328 -0.003 0.000 1.055 412 H CA -0.364 55.681 56.048 -0.004 0.000 1.231 412 H CB 1.320 31.080 29.762 -0.004 0.000 1.417 412 H HN 0.394 nan 8.280 nan 0.000 0.472 413 E N 5.012 125.255 120.200 0.072 0.000 2.257 413 E HA 0.273 4.624 4.350 0.003 0.000 0.278 413 E C -0.526 176.110 176.600 0.060 0.000 1.049 413 E CA -0.353 56.075 56.400 0.046 0.000 0.876 413 E CB 0.352 30.062 29.700 0.017 0.000 1.035 413 E HN 0.650 nan 8.360 nan 0.000 0.419 414 I N 1.334 121.933 120.570 0.048 0.000 3.145 414 I HA 0.697 4.868 4.170 0.003 0.000 0.313 414 I C -0.882 175.247 176.117 0.021 0.000 1.122 414 I CA -1.246 60.076 61.300 0.037 0.000 0.987 414 I CB 1.978 39.999 38.000 0.035 0.000 1.236 414 I HN 0.283 nan 8.210 nan 0.000 0.453 415 V N -0.511 119.410 119.914 0.012 0.000 2.962 415 V HA 0.896 5.018 4.120 0.003 0.000 0.313 415 V C -0.265 175.830 176.094 0.001 0.000 1.099 415 V CA -0.180 62.124 62.300 0.008 0.000 0.971 415 V CB 1.356 33.182 31.823 0.005 0.000 1.028 415 V HN 1.048 nan 8.190 nan 0.000 0.430 416 T N 0.260 114.817 114.554 0.004 0.000 2.908 416 T HA 0.833 5.185 4.350 0.003 0.000 0.290 416 T C -0.702 173.996 174.700 -0.003 0.000 1.034 416 T CA -0.623 61.476 62.100 -0.001 0.000 1.010 416 T CB 1.860 70.736 68.868 0.013 0.000 1.068 416 T HN 0.780 nan 8.240 nan 0.000 0.481 417 I N 2.408 122.970 120.570 -0.012 0.000 2.468 417 I HA 0.477 4.648 4.170 0.003 0.000 0.285 417 I C -0.249 175.875 176.117 0.012 0.000 1.039 417 I CA -0.824 60.480 61.300 0.006 0.000 1.074 417 I CB 1.687 39.695 38.000 0.014 0.000 1.228 417 I HN 0.846 nan 8.210 nan 0.000 0.436 418 K N 5.844 126.242 120.400 -0.003 0.000 2.430 418 K HA 0.815 5.137 4.320 0.003 0.000 0.268 418 K C -1.461 175.098 176.600 -0.068 0.000 1.043 418 K CA -1.061 55.184 56.287 -0.071 0.000 0.899 418 K CB 2.705 35.091 32.500 -0.189 0.000 1.472 418 K HN 0.236 nan 8.250 nan 0.000 0.451 419 M N 1.618 121.107 119.600 -0.186 0.000 2.322 419 M HA 0.373 4.855 4.480 0.003 0.000 0.285 419 M C -2.862 173.290 176.300 -0.246 0.000 1.119 419 M CA -2.159 53.075 55.300 -0.109 0.000 0.953 419 M CB 2.065 34.690 32.600 0.042 0.000 1.701 419 M HN 0.615 nan 8.290 nan 0.000 0.479 420 P HA 0.403 nan 4.420 nan 0.000 0.276 420 P C -2.775 174.535 177.300 0.017 0.000 1.261 420 P CA -1.039 62.065 63.100 0.007 0.000 0.800 420 P CB -0.286 31.450 31.700 0.060 0.000 1.066 421 P HA 0.118 nan 4.420 nan 0.000 0.274 421 P C -0.523 176.808 177.300 0.053 0.000 1.246 421 P CA 0.011 63.130 63.100 0.033 0.000 0.795 421 P CB 0.439 32.155 31.700 0.026 0.000 1.006 422 D N 0.947 121.377 120.400 0.051 0.000 2.374 422 D HA 0.232 4.874 4.640 0.003 0.000 0.240 422 D C 0.669 176.993 176.300 0.040 0.000 1.229 422 D CA 0.640 54.673 54.000 0.055 0.000 0.895 422 D CB 0.185 41.015 40.800 0.050 0.000 1.046 422 D HN 0.413 nan 8.370 nan 0.000 0.498 423 T N -1.695 112.884 114.554 0.040 0.000 2.787 423 T HA 0.238 4.590 4.350 0.003 0.000 0.297 423 T C 1.026 175.743 174.700 0.029 0.000 1.221 423 T CA -0.833 61.285 62.100 0.030 0.000 1.006 423 T CB 1.485 70.370 68.868 0.027 0.000 1.328 423 T HN 0.259 nan 8.240 nan 0.000 0.509 424 E N 0.557 120.770 120.200 0.021 0.000 2.409 424 E HA -0.111 4.241 4.350 0.003 0.000 0.198 424 E C 1.141 177.752 176.600 0.018 0.000 1.024 424 E CA 1.077 57.487 56.400 0.017 0.000 0.861 424 E CB -0.569 29.138 29.700 0.011 0.000 0.788 424 E HN 0.707 nan 8.360 nan 0.000 0.521 425 N N 0.716 119.430 118.700 0.023 0.000 2.463 425 N HA 0.058 4.799 4.740 0.003 0.000 0.181 425 N C 1.082 176.615 175.510 0.038 0.000 1.078 425 N CA 0.070 53.136 53.050 0.026 0.000 0.902 425 N CB 0.267 38.770 38.487 0.027 0.000 0.970 425 N HN 0.330 nan 8.380 nan 0.000 0.451 426 G N 1.887 110.714 108.800 0.045 0.000 2.634 426 G HA2 -0.363 3.598 3.960 0.003 0.000 0.309 426 G HA3 -0.363 3.598 3.960 0.003 0.000 0.309 426 G C 0.625 175.581 174.900 0.094 0.000 1.265 426 G CA 0.288 45.428 45.100 0.065 0.000 0.998 426 G HN 0.193 nan 8.290 nan 0.000 0.551 427 L N 1.500 122.797 121.223 0.124 0.000 2.465 427 L HA 0.077 4.419 4.340 0.003 0.000 0.224 427 L C 1.411 178.386 176.870 0.176 0.000 1.145 427 L CA 0.544 55.492 54.840 0.180 0.000 0.834 427 L CB -0.390 41.833 42.059 0.274 0.000 0.944 427 L HN 0.372 nan 8.230 nan 0.000 0.451 428 N N 1.544 120.319 118.700 0.125 0.000 3.115 428 N HA 0.083 4.825 4.740 0.003 0.000 0.305 428 N C -0.294 175.268 175.510 0.086 0.000 1.305 428 N CA 0.232 53.351 53.050 0.114 0.000 1.154 428 N CB 0.117 38.639 38.487 0.059 0.000 1.454 428 N HN 0.170 nan 8.380 nan 0.000 0.551 429 V N -4.322 115.646 119.914 0.090 0.000 3.130 429 V HA 0.695 4.817 4.120 0.003 0.000 0.310 429 V C 0.814 176.939 176.094 0.053 0.000 1.158 429 V CA -1.171 61.162 62.300 0.054 0.000 1.029 429 V CB 1.498 33.349 31.823 0.045 0.000 1.057 429 V HN -0.030 nan 8.190 nan 0.000 0.436 430 A N 2.154 124.980 122.820 0.009 0.000 2.258 430 A HA 0.482 4.804 4.320 0.003 0.000 0.206 430 A C 0.463 178.075 177.584 0.047 0.000 1.222 430 A CA 0.634 52.664 52.037 -0.011 0.000 0.822 430 A CB -0.982 17.938 19.000 -0.133 0.000 0.804 430 A HN 0.736 nan 8.150 nan 0.000 0.483 431 L N -0.133 121.129 121.223 0.065 0.000 2.350 431 L HA 0.426 4.768 4.340 0.003 0.000 0.260 431 L C -2.402 174.522 176.870 0.089 0.000 1.015 431 L CA -2.596 52.299 54.840 0.091 0.000 0.821 431 L CB 2.816 44.908 42.059 0.056 0.000 1.370 431 L HN -0.031 nan 8.230 nan 0.000 0.416 432 P HA 0.332 nan 4.420 nan 0.000 0.274 432 P C -1.459 175.993 177.300 0.253 0.000 1.256 432 P CA -0.275 62.973 63.100 0.246 0.000 0.795 432 P CB 1.492 33.286 31.700 0.158 0.000 1.038 433 A N 0.606 123.650 122.820 0.373 0.000 2.555 433 A HA 0.659 4.980 4.320 0.003 0.000 0.297 433 A C -0.707 176.998 177.584 0.201 0.000 1.060 433 A CA -0.213 51.973 52.037 0.248 0.000 0.710 433 A CB 0.726 19.855 19.000 0.215 0.000 1.282 433 A HN 0.730 nan 8.150 nan 0.000 0.399 434 S N 0.514 116.299 115.700 0.143 0.000 2.660 434 S HA 0.467 4.938 4.470 0.003 0.000 0.264 434 S C -1.474 173.177 174.600 0.085 0.000 1.131 434 S CA -1.044 57.190 58.200 0.057 0.000 0.846 434 S CB 0.136 63.350 63.200 0.024 0.000 1.151 434 S HN 0.721 nan 8.310 nan 0.000 0.486 435 D N 1.726 122.150 120.400 0.040 0.000 2.752 435 D HA 0.046 4.687 4.640 0.003 0.000 0.225 435 D C 0.632 176.997 176.300 0.107 0.000 1.104 435 D CA 0.893 54.919 54.000 0.042 0.000 0.832 435 D CB -0.014 40.798 40.800 0.020 0.000 1.161 435 D HN 0.597 nan 8.370 nan 0.000 0.505 436 R N 0.407 120.942 120.500 0.059 0.000 3.840 436 R HA -0.166 4.175 4.340 0.003 0.000 0.464 436 R C 1.055 177.471 176.300 0.193 0.000 0.986 436 R CA 1.574 57.696 56.100 0.037 0.000 1.305 436 R CB -2.755 27.496 30.300 -0.081 0.000 1.950 436 R HN 0.669 nan 8.270 nan 0.000 0.526 437 T N -4.188 110.520 114.554 0.256 0.000 3.111 437 T HA 0.285 4.637 4.350 0.003 0.000 0.284 437 T C 1.502 176.361 174.700 0.264 0.000 0.983 437 T CA -0.420 61.911 62.100 0.385 0.000 0.900 437 T CB 0.153 69.300 68.868 0.466 0.000 1.132 437 T HN -0.153 nan 8.240 nan 0.000 0.531 438 M N 1.246 120.927 119.600 0.135 0.000 2.132 438 M HA 0.241 4.723 4.480 0.003 0.000 0.263 438 M C 2.033 178.416 176.300 0.138 0.000 1.065 438 M CA 1.087 56.468 55.300 0.135 0.000 1.122 438 M CB -1.308 31.288 32.600 -0.005 0.000 1.365 438 M HN 0.326 nan 8.290 nan 0.000 0.411 439 L N -1.527 119.664 121.223 -0.052 0.000 2.046 439 L HA -0.234 4.107 4.340 0.003 0.000 0.208 439 L C 2.469 179.458 176.870 0.198 0.000 1.077 439 L CA 1.412 56.150 54.840 -0.170 0.000 0.747 439 L CB -0.782 40.901 42.059 -0.626 0.000 0.896 439 L HN 0.225 nan 8.230 nan 0.000 0.432 440 Y N -0.537 119.972 120.300 0.347 0.000 2.181 440 Y HA -0.265 4.286 4.550 0.002 0.000 0.288 440 Y C 2.679 178.746 175.900 0.278 0.000 1.146 440 Y CA 0.532 58.844 58.100 0.355 0.000 1.164 440 Y CB -0.366 38.260 38.460 0.276 0.000 0.982 440 Y HN 0.180 nan 8.280 nan 0.000 0.515 441 A N -0.339 122.737 122.820 0.425 0.000 1.972 441 A HA -0.174 4.147 4.320 0.003 0.000 0.219 441 A C 1.642 179.330 177.584 0.173 0.000 1.169 441 A CA 1.591 53.804 52.037 0.294 0.000 0.635 441 A CB -0.855 18.340 19.000 0.325 0.000 0.810 441 A HN 0.477 nan 8.150 nan 0.000 0.446 442 F N -0.351 119.697 119.950 0.163 0.000 2.717 442 F HA 0.277 4.805 4.527 0.002 0.000 0.295 442 F C 1.764 177.678 175.800 0.190 0.000 1.117 442 F CA -0.216 57.867 58.000 0.138 0.000 1.361 442 F CB -0.314 38.731 39.000 0.075 0.000 1.112 442 F HN 0.204 nan 8.300 nan 0.000 0.594 443 G N 0.691 109.755 108.800 0.439 0.000 2.594 443 G HA2 0.044 4.006 3.960 0.003 0.000 0.243 443 G HA3 0.044 4.006 3.960 0.003 0.000 0.243 443 G C -0.297 174.780 174.900 0.296 0.000 1.229 443 G CA -0.542 44.849 45.100 0.486 0.000 0.843 443 G HN 0.061 nan 8.290 nan 0.000 0.578 444 K N 0.503 121.051 120.400 0.247 0.000 2.378 444 K HA 0.370 4.692 4.320 0.003 0.000 0.288 444 K C 1.225 177.892 176.600 0.111 0.000 1.057 444 K CA 0.707 57.082 56.287 0.148 0.000 0.971 444 K CB -0.070 32.501 32.500 0.117 0.000 0.975 444 K HN 1.043 nan 8.250 nan 0.000 0.475 445 G N 2.998 111.866 108.800 0.113 0.000 2.155 445 G HA2 -0.299 3.662 3.960 0.003 0.000 0.257 445 G HA3 -0.299 3.662 3.960 0.003 0.000 0.257 445 G C 0.496 175.520 174.900 0.207 0.000 0.983 445 G CA 0.925 46.099 45.100 0.123 0.000 0.676 445 G HN 0.751 nan 8.290 nan 0.000 0.528 446 T N -3.595 111.068 114.554 0.182 0.000 3.044 446 T HA 0.628 4.979 4.350 0.003 0.000 0.260 446 T C 2.259 177.014 174.700 0.091 0.000 1.019 446 T CA 1.178 63.344 62.100 0.109 0.000 0.921 446 T CB 0.552 69.513 68.868 0.155 0.000 1.053 446 T HN 1.277 nan 8.240 nan 0.000 0.533 447 A N 3.206 126.142 122.820 0.195 0.000 1.986 447 A HA -0.220 4.101 4.320 0.003 0.000 0.220 447 A C 2.247 179.927 177.584 0.159 0.000 1.171 447 A CA 1.827 53.968 52.037 0.173 0.000 0.640 447 A CB -1.139 17.946 19.000 0.142 0.000 0.811 447 A HN 0.891 nan 8.150 nan 0.000 0.451 448 H N -1.405 117.731 119.070 0.110 0.000 2.521 448 H HA 0.062 4.619 4.556 0.002 0.000 0.286 448 H C 1.419 176.856 175.328 0.182 0.000 1.034 448 H CA 1.311 57.440 56.048 0.135 0.000 1.278 448 H CB -0.627 29.186 29.762 0.086 0.000 1.386 448 H HN 0.547 nan 8.280 nan 0.000 0.567 449 M N 1.416 120.789 119.600 -0.378 0.000 2.563 449 M HA 0.026 4.508 4.480 0.003 0.000 0.231 449 M C 1.794 178.105 176.300 0.018 0.000 1.136 449 M CA 0.513 55.646 55.300 -0.279 0.000 1.026 449 M CB 0.305 32.482 32.600 -0.704 0.000 1.597 449 M HN 0.292 nan 8.290 nan 0.000 0.495 450 S N -0.478 115.314 115.700 0.154 0.000 2.561 450 S HA 0.345 4.817 4.470 0.003 0.000 0.225 450 S C 0.978 175.666 174.600 0.147 0.000 0.977 450 S CA 0.297 58.653 58.200 0.260 0.000 0.926 450 S CB -0.256 63.089 63.200 0.242 0.000 0.769 450 S HN 0.610 nan 8.310 nan 0.000 0.533 451 G N 0.082 108.889 108.800 0.011 0.000 2.371 451 G HA2 0.274 4.236 3.960 0.003 0.000 0.663 451 G HA3 0.274 4.236 3.960 0.003 0.000 0.663 451 G C -1.434 173.152 174.900 -0.523 0.000 1.311 451 G CA -0.587 44.345 45.100 -0.281 0.000 0.985 451 G HN 0.770 nan 8.290 nan 0.000 0.566 452 F N 0.900 120.374 119.950 -0.792 0.000 2.635 452 F HA 0.726 5.255 4.527 0.003 0.000 0.314 452 F C -0.659 174.911 175.800 -0.383 0.000 1.119 452 F CA -0.108 57.480 58.000 -0.688 0.000 1.000 452 F CB 1.895 40.237 39.000 -1.097 0.000 1.278 452 F HN 1.038 nan 8.300 nan 0.000 0.446 453 Q N 4.802 124.112 119.800 -0.817 0.000 2.482 453 Q HA 0.567 4.908 4.340 0.003 0.000 0.286 453 Q C -2.184 173.650 176.000 -0.277 0.000 1.007 453 Q CA -1.271 54.361 55.803 -0.285 0.000 0.801 453 Q CB 3.291 32.029 28.738 0.000 0.000 1.455 453 Q HN 0.724 nan 8.270 nan 0.000 0.398 454 K N 1.680 122.156 120.400 0.128 0.000 2.572 454 K HA 0.508 4.830 4.320 0.003 0.000 0.263 454 K C -1.787 174.808 176.600 -0.008 0.000 0.932 454 K CA -0.705 55.612 56.287 0.051 0.000 0.838 454 K CB 1.926 34.430 32.500 0.007 0.000 1.366 454 K HN 0.825 nan 8.250 nan 0.000 0.425 455 I N 0.293 120.751 120.570 -0.187 0.000 2.569 455 I HA 0.574 4.746 4.170 0.003 0.000 0.296 455 I C -0.831 175.212 176.117 -0.122 0.000 1.028 455 I CA -1.235 59.862 61.300 -0.338 0.000 1.082 455 I CB 2.060 39.687 38.000 -0.622 0.000 1.264 455 I HN 0.132 nan 8.210 nan 0.000 0.429 456 V N 6.445 126.311 119.914 -0.080 0.000 2.398 456 V HA 0.516 4.638 4.120 0.003 0.000 0.286 456 V C 0.029 176.085 176.094 -0.063 0.000 1.026 456 V CA -0.313 61.969 62.300 -0.030 0.000 0.868 456 V CB 1.497 33.336 31.823 0.026 0.000 0.982 456 V HN 0.550 nan 8.190 nan 0.000 0.443 457 I N 3.336 123.880 120.570 -0.042 0.000 2.509 457 I HA 0.377 4.549 4.170 0.003 0.000 0.293 457 I C -0.262 175.853 176.117 -0.003 0.000 1.020 457 I CA -0.583 60.695 61.300 -0.036 0.000 1.088 457 I CB 2.082 40.059 38.000 -0.038 0.000 1.267 457 I HN 0.518 nan 8.210 nan 0.000 0.430 458 D N 4.732 125.140 120.400 0.013 0.000 2.343 458 D HA 0.162 4.804 4.640 0.003 0.000 0.255 458 D C 0.878 177.197 176.300 0.031 0.000 1.187 458 D CA 0.085 54.119 54.000 0.055 0.000 0.875 458 D CB 1.863 42.721 40.800 0.098 0.000 1.136 458 D HN 0.729 nan 8.370 nan 0.000 0.469 459 A N 5.405 128.243 122.820 0.030 0.000 2.019 459 A HA -0.155 4.167 4.320 0.003 0.000 0.219 459 A C 1.954 179.545 177.584 0.011 0.000 1.164 459 A CA 1.059 53.106 52.037 0.016 0.000 0.644 459 A CB 0.032 19.040 19.000 0.015 0.000 0.805 459 A HN 0.466 nan 8.150 nan 0.000 0.449 460 K N -0.748 119.660 120.400 0.014 0.000 2.099 460 K HA -0.020 4.302 4.320 0.003 0.000 0.203 460 K C 2.181 178.785 176.600 0.007 0.000 1.047 460 K CA 1.774 58.064 56.287 0.006 0.000 0.963 460 K CB -1.013 31.485 32.500 -0.002 0.000 0.759 460 K HN 0.637 nan 8.250 nan 0.000 0.451 461 T N -1.504 113.058 114.554 0.014 0.000 3.067 461 T HA 0.076 4.428 4.350 0.003 0.000 0.261 461 T C 0.737 175.442 174.700 0.008 0.000 1.110 461 T CA 0.132 62.239 62.100 0.012 0.000 1.113 461 T CB 0.032 68.913 68.868 0.022 0.000 0.917 461 T HN 0.251 nan 8.240 nan 0.000 0.499 462 R N 0.211 120.716 120.500 0.008 0.000 3.989 462 R HA -0.119 4.222 4.340 0.003 0.000 0.377 462 R C -0.456 175.839 176.300 -0.008 0.000 1.158 462 R CA 0.933 57.033 56.100 -0.000 0.000 1.035 462 R CB -1.892 28.407 30.300 -0.002 0.000 1.557 462 R HN 0.487 nan 8.270 nan 0.000 0.551 463 K N 1.140 121.538 120.400 -0.004 0.000 2.185 463 K HA 0.347 4.669 4.320 0.003 0.000 0.271 463 K C 0.305 176.884 176.600 -0.036 0.000 1.013 463 K CA -0.432 55.845 56.287 -0.017 0.000 0.943 463 K CB 1.415 33.911 32.500 -0.006 0.000 0.998 463 K HN -0.182 nan 8.250 nan 0.000 0.468 464 V N 4.831 124.707 119.914 -0.063 0.000 2.508 464 V HA 0.010 4.131 4.120 0.003 0.000 0.281 464 V C 1.181 177.215 176.094 -0.101 0.000 1.041 464 V CA 0.120 62.359 62.300 -0.101 0.000 1.016 464 V CB 0.528 32.263 31.823 -0.147 0.000 0.984 464 V HN 0.692 nan 8.190 nan 0.000 0.478 465 L N 3.986 125.148 121.223 -0.103 0.000 2.513 465 L HA 0.493 4.835 4.340 0.003 0.000 0.222 465 L C 1.004 177.809 176.870 -0.109 0.000 1.096 465 L CA 0.616 55.389 54.840 -0.111 0.000 0.857 465 L CB 0.237 42.214 42.059 -0.137 0.000 1.026 465 L HN 0.807 nan 8.230 nan 0.000 0.469 466 G N -0.338 108.389 108.800 -0.122 0.000 2.632 466 G HA2 0.668 4.630 3.960 0.003 0.000 0.292 466 G HA3 0.668 4.630 3.960 0.003 0.000 0.292 466 G C -2.100 172.622 174.900 -0.297 0.000 1.465 466 G CA 0.061 45.072 45.100 -0.148 0.000 0.824 466 G HN -0.010 nan 8.290 nan 0.000 0.509 467 A N 1.197 123.704 122.820 -0.521 0.000 2.486 467 A HA 0.913 5.235 4.320 0.003 0.000 0.300 467 A C -1.213 176.110 177.584 -0.435 0.000 1.048 467 A CA -0.734 51.015 52.037 -0.480 0.000 0.696 467 A CB 1.501 20.175 19.000 -0.543 0.000 1.278 467 A HN 0.847 nan 8.150 nan 0.000 0.405 468 H N 1.759 121.098 119.070 0.448 0.000 2.865 468 H HA 0.516 5.073 4.556 0.003 0.000 0.362 468 H C -1.574 174.099 175.328 0.575 0.000 1.114 468 H CA -0.386 55.975 56.048 0.520 0.000 1.208 468 H CB 2.051 32.013 29.762 0.334 0.000 1.727 468 H HN 0.823 nan 8.280 nan 0.000 0.534 469 H N 1.677 120.974 119.070 0.378 0.000 2.954 469 H HA 0.357 4.914 4.556 0.003 0.000 0.361 469 H C -1.860 173.500 175.328 0.054 0.000 1.122 469 H CA -0.457 55.698 56.048 0.177 0.000 1.217 469 H CB 1.922 31.749 29.762 0.108 0.000 1.776 469 H HN 0.369 nan 8.280 nan 0.000 0.533 470 V N 4.849 124.501 119.914 -0.437 0.000 2.483 470 V HA 0.677 4.799 4.120 0.003 0.000 0.297 470 V C 0.566 176.285 176.094 -0.626 0.000 1.027 470 V CA 0.391 62.497 62.300 -0.324 0.000 0.855 470 V CB 1.045 32.766 31.823 -0.169 0.000 0.995 470 V HN 1.074 nan 8.190 nan 0.000 0.424 471 G N 4.096 112.670 108.800 -0.377 0.000 2.530 471 G HA2 0.212 4.173 3.960 0.003 0.000 0.081 471 G HA3 0.212 4.173 3.960 0.003 0.000 0.081 471 G C -1.806 172.847 174.900 -0.412 0.000 1.062 471 G CA -0.333 44.583 45.100 -0.306 0.000 1.108 471 G HN 0.470 nan 8.290 nan 0.000 0.466 472 Y N -0.546 119.979 120.300 0.375 0.000 2.544 472 Y HA 0.519 5.071 4.550 0.002 0.000 0.342 472 Y C 0.869 176.845 175.900 0.127 0.000 1.062 472 Y CA 0.257 58.502 58.100 0.241 0.000 1.023 472 Y CB 2.349 40.933 38.460 0.207 0.000 1.308 472 Y HN 1.993 nan 8.280 nan 0.000 0.457 473 G N 0.269 109.183 108.800 0.191 0.000 2.143 473 G HA2 -0.213 3.749 3.960 0.003 0.000 0.249 473 G HA3 -0.213 3.749 3.960 0.003 0.000 0.249 473 G C 0.548 175.393 174.900 -0.090 0.000 0.981 473 G CA 0.545 45.673 45.100 0.046 0.000 0.665 473 G HN 1.209 nan 8.290 nan 0.000 0.528 474 A N -0.436 122.244 122.820 -0.233 0.000 2.167 474 A HA 0.513 4.835 4.320 0.003 0.000 0.208 474 A C 1.872 179.352 177.584 -0.172 0.000 1.198 474 A CA 1.682 53.516 52.037 -0.339 0.000 0.863 474 A CB -0.121 18.286 19.000 -0.988 0.000 0.904 474 A HN 0.495 nan 8.150 nan 0.000 0.484 475 K N 0.563 120.813 120.400 -0.249 0.000 2.015 475 K HA -0.307 4.015 4.320 0.003 0.000 0.216 475 K C 1.591 178.101 176.600 -0.151 0.000 1.052 475 K CA 2.348 58.458 56.287 -0.294 0.000 0.937 475 K CB -0.346 31.910 32.500 -0.407 0.000 0.719 475 K HN 0.357 nan 8.250 nan 0.000 0.446 476 D N -0.606 119.732 120.400 -0.102 0.000 2.123 476 D HA -0.122 4.520 4.640 0.003 0.000 0.196 476 D C 1.713 178.034 176.300 0.035 0.000 0.992 476 D CA 1.491 55.465 54.000 -0.044 0.000 0.833 476 D CB -0.066 40.752 40.800 0.029 0.000 0.954 476 D HN 0.418 nan 8.370 nan 0.000 0.455 477 A N -0.553 122.336 122.820 0.116 0.000 1.933 477 A HA -0.135 4.187 4.320 0.003 0.000 0.218 477 A C 1.915 179.601 177.584 0.171 0.000 1.175 477 A CA 0.883 53.035 52.037 0.192 0.000 0.628 477 A CB -1.009 18.070 19.000 0.131 0.000 0.814 477 A HN 0.292 nan 8.150 nan 0.000 0.444 478 F N 0.547 120.446 119.950 -0.085 0.000 2.269 478 F HA -0.180 4.349 4.527 0.003 0.000 0.301 478 F C 2.592 178.303 175.800 -0.147 0.000 1.082 478 F CA 1.515 59.464 58.000 -0.085 0.000 1.360 478 F CB -0.505 38.438 39.000 -0.096 0.000 1.041 478 F HN 0.373 nan 8.300 nan 0.000 0.512 479 Q N -1.273 118.458 119.800 -0.114 0.000 2.050 479 Q HA -0.221 4.121 4.340 0.003 0.000 0.202 479 Q C 1.997 177.784 176.000 -0.356 0.000 0.980 479 Q CA 2.144 57.742 55.803 -0.343 0.000 0.840 479 Q CB -0.502 27.839 28.738 -0.661 0.000 0.898 479 Q HN 0.492 nan 8.270 nan 0.000 0.424 480 Y N -0.178 120.119 120.300 -0.005 0.000 2.314 480 Y HA -0.108 4.444 4.550 0.003 0.000 0.294 480 Y C 2.104 177.978 175.900 -0.044 0.000 1.119 480 Y CA 0.113 58.202 58.100 -0.018 0.000 1.179 480 Y CB -0.076 38.379 38.460 -0.009 0.000 1.025 480 Y HN 0.096 nan 8.280 nan 0.000 0.541 481 L N 0.946 122.194 121.223 0.042 0.000 2.083 481 L HA -0.216 4.126 4.340 0.003 0.000 0.209 481 L C 1.850 178.656 176.870 -0.107 0.000 1.083 481 L CA 1.825 56.627 54.840 -0.064 0.000 0.752 481 L CB -0.897 41.040 42.059 -0.203 0.000 0.899 481 L HN 0.161 nan 8.230 nan 0.000 0.433 482 N N -1.040 117.587 118.700 -0.122 0.000 2.166 482 N HA -0.169 4.573 4.740 0.003 0.000 0.186 482 N C 1.710 177.184 175.510 -0.059 0.000 1.019 482 N CA 1.544 54.530 53.050 -0.107 0.000 0.856 482 N CB -0.136 38.295 38.487 -0.092 0.000 0.993 482 N HN 0.266 nan 8.380 nan 0.000 0.426 483 V N 0.656 120.555 119.914 -0.025 0.000 2.343 483 V HA -0.188 3.934 4.120 0.003 0.000 0.247 483 V C 2.252 178.350 176.094 0.007 0.000 1.051 483 V CA 1.297 63.601 62.300 0.007 0.000 1.036 483 V CB -0.539 31.314 31.823 0.050 0.000 0.654 483 V HN 0.340 nan 8.190 nan 0.000 0.451 484 L N -0.720 120.506 121.223 0.005 0.000 2.083 484 L HA -0.173 4.168 4.340 0.003 0.000 0.209 484 L C 2.343 179.199 176.870 -0.023 0.000 1.083 484 L CA 1.606 56.445 54.840 -0.002 0.000 0.752 484 L CB -0.467 41.592 42.059 -0.001 0.000 0.899 484 L HN 0.269 nan 8.230 nan 0.000 0.433 485 I N -0.365 120.175 120.570 -0.049 0.000 2.315 485 I HA -0.275 3.897 4.170 0.003 0.000 0.248 485 I C 2.417 178.509 176.117 -0.042 0.000 1.117 485 I CA 1.286 62.548 61.300 -0.063 0.000 1.404 485 I CB -0.268 37.669 38.000 -0.104 0.000 1.071 485 I HN 0.214 nan 8.210 nan 0.000 0.419 486 K N 0.478 120.859 120.400 -0.032 0.000 2.283 486 K HA -0.166 4.156 4.320 0.003 0.000 0.202 486 K C 1.894 178.492 176.600 -0.003 0.000 1.048 486 K CA 0.988 57.265 56.287 -0.016 0.000 0.948 486 K CB -0.093 32.403 32.500 -0.006 0.000 0.742 486 K HN 0.475 nan 8.250 nan 0.000 0.458 487 Q N -0.618 119.181 119.800 -0.002 0.000 2.432 487 Q HA 0.005 4.347 4.340 0.003 0.000 0.205 487 Q C 0.604 176.605 176.000 0.001 0.000 0.945 487 Q CA 0.613 56.419 55.803 0.005 0.000 0.924 487 Q CB 0.624 29.368 28.738 0.009 0.000 1.016 487 Q HN 0.500 nan 8.270 nan 0.000 0.503 488 G N 1.195 109.990 108.800 -0.008 0.000 2.151 488 G HA2 -0.194 3.767 3.960 0.003 0.000 0.156 488 G HA3 -0.194 3.767 3.960 0.003 0.000 0.156 488 G C -0.404 174.488 174.900 -0.014 0.000 1.017 488 G CA -0.475 44.620 45.100 -0.009 0.000 0.686 488 G HN 0.210 nan 8.290 nan 0.000 0.503 489 L N 2.664 123.874 121.223 -0.022 0.000 2.601 489 L HA 0.512 4.853 4.340 0.003 0.000 0.277 489 L C 1.193 178.045 176.870 -0.029 0.000 1.219 489 L CA 1.351 56.175 54.840 -0.026 0.000 0.915 489 L CB 0.301 42.337 42.059 -0.039 0.000 1.160 489 L HN 0.598 nan 8.230 nan 0.000 0.494 490 T N 1.207 115.749 114.554 -0.020 0.000 2.948 490 T HA 0.303 4.655 4.350 0.003 0.000 0.285 490 T C 0.955 175.642 174.700 -0.020 0.000 1.019 490 T CA -0.184 61.905 62.100 -0.019 0.000 1.013 490 T CB 1.359 70.221 68.868 -0.010 0.000 1.117 490 T HN 0.413 nan 8.240 nan 0.000 0.533 491 V N 0.837 120.739 119.914 -0.020 0.000 2.490 491 V HA -0.122 4.000 4.120 0.003 0.000 0.250 491 V C 1.708 177.799 176.094 -0.004 0.000 1.061 491 V CA 2.421 64.711 62.300 -0.016 0.000 1.064 491 V CB -1.124 30.689 31.823 -0.015 0.000 0.670 491 V HN 0.956 nan 8.190 nan 0.000 0.461 492 D N -0.381 120.017 120.400 -0.003 0.000 2.117 492 D HA -0.159 4.482 4.640 0.003 0.000 0.198 492 D C 2.120 178.421 176.300 0.002 0.000 0.982 492 D CA 1.505 55.506 54.000 0.000 0.000 0.828 492 D CB -0.118 40.681 40.800 -0.000 0.000 0.967 492 D HN 0.579 nan 8.370 nan 0.000 0.464 493 E N -0.000 120.200 120.200 0.000 0.000 2.150 493 E HA -0.121 4.231 4.350 0.003 0.000 0.193 493 E C 1.786 178.391 176.600 0.007 0.000 0.985 493 E CA 0.265 56.666 56.400 0.002 0.000 0.814 493 E CB 0.030 29.730 29.700 -0.001 0.000 0.752 493 E HN 0.143 nan 8.360 nan 0.000 0.466 494 L N 0.602 121.830 121.223 0.008 0.000 2.056 494 L HA -0.006 4.336 4.340 0.003 0.000 0.207 494 L C 2.207 179.097 176.870 0.033 0.000 1.078 494 L CA 1.972 56.825 54.840 0.022 0.000 0.749 494 L CB -0.868 41.202 42.059 0.018 0.000 0.901 494 L HN 0.096 nan 8.230 nan 0.000 0.433 495 G N -1.632 107.183 108.800 0.024 0.000 2.471 495 G HA2 -0.217 3.744 3.960 0.003 0.000 0.219 495 G HA3 -0.217 3.744 3.960 0.003 0.000 0.219 495 G C 1.259 176.169 174.900 0.016 0.000 1.125 495 G CA 0.627 45.741 45.100 0.023 0.000 0.775 495 G HN 0.391 nan 8.290 nan 0.000 0.548 496 D N 0.069 120.477 120.400 0.013 0.000 2.340 496 D HA 0.132 4.773 4.640 0.003 0.000 0.220 496 D C 1.369 177.675 176.300 0.011 0.000 1.039 496 D CA 0.048 54.053 54.000 0.009 0.000 0.866 496 D CB 0.151 40.954 40.800 0.005 0.000 0.913 496 D HN 0.311 nan 8.370 nan 0.000 0.523 497 M N 0.364 119.974 119.600 0.017 0.000 2.114 497 M HA 0.080 4.561 4.480 0.003 0.000 0.293 497 M C 0.067 176.379 176.300 0.020 0.000 1.201 497 M CA 0.063 55.374 55.300 0.018 0.000 1.107 497 M CB 0.687 33.302 32.600 0.026 0.000 1.405 497 M HN -0.292 nan 8.290 nan 0.000 0.486 498 D N 2.154 122.565 120.400 0.019 0.000 2.373 498 D HA 0.134 4.776 4.640 0.003 0.000 0.227 498 D C -0.275 176.047 176.300 0.036 0.000 1.091 498 D CA -0.205 53.808 54.000 0.021 0.000 0.840 498 D CB 0.711 41.520 40.800 0.014 0.000 1.060 498 D HN 0.424 nan 8.370 nan 0.000 0.502 499 E N 2.227 122.458 120.200 0.052 0.000 2.349 499 E HA 0.230 4.582 4.350 0.003 0.000 0.262 499 E C -0.547 176.113 176.600 0.100 0.000 1.088 499 E CA -0.556 55.895 56.400 0.085 0.000 0.899 499 E CB 1.511 31.284 29.700 0.121 0.000 1.044 499 E HN 0.352 nan 8.360 nan 0.000 0.420 500 L N 2.830 124.121 121.223 0.114 0.000 2.435 500 L HA 0.305 4.647 4.340 0.003 0.000 0.253 500 L C -0.427 176.539 176.870 0.161 0.000 1.087 500 L CA -0.795 54.109 54.840 0.107 0.000 0.950 500 L CB 0.060 42.150 42.059 0.053 0.000 1.304 500 L HN 0.439 nan 8.230 nan 0.000 0.453 501 F N 2.396 122.366 119.950 0.033 0.000 2.471 501 F HA 0.275 4.804 4.527 0.003 0.000 0.353 501 F C 0.103 175.928 175.800 0.042 0.000 1.113 501 F CA -0.183 57.845 58.000 0.048 0.000 1.262 501 F CB 0.807 39.829 39.000 0.036 0.000 1.146 501 F HN 0.132 nan 8.300 nan 0.000 0.578 502 L N 5.823 126.783 121.223 -0.439 0.000 2.331 502 L HA 0.188 4.529 4.340 0.003 0.000 0.278 502 L C -0.404 176.307 176.870 -0.265 0.000 1.106 502 L CA -0.206 54.069 54.840 -0.942 0.000 0.824 502 L CB 0.372 41.950 42.059 -0.801 0.000 1.142 502 L HN 0.573 nan 8.230 nan 0.000 0.443 503 N N 3.354 122.024 118.700 -0.049 0.000 2.443 503 N HA 0.446 5.187 4.740 0.003 0.000 0.295 503 N C -2.413 173.039 175.510 -0.098 0.000 1.076 503 N CA -2.396 50.663 53.050 0.014 0.000 0.919 503 N CB 0.832 39.375 38.487 0.092 0.000 1.176 503 N HN 0.125 nan 8.380 nan 0.000 0.487 504 P HA -0.126 nan 4.420 nan 0.000 0.216 504 P C -0.027 177.050 177.300 -0.371 0.000 1.153 504 P CA 1.944 64.946 63.100 -0.163 0.000 0.858 504 P CB 0.001 31.614 31.700 -0.145 0.000 0.789 505 T N -2.938 111.341 114.554 -0.459 0.000 2.767 505 T HA 0.243 4.594 4.350 0.003 0.000 0.284 505 T C 0.410 174.785 174.700 -0.543 0.000 0.973 505 T CA -0.565 61.074 62.100 -0.768 0.000 0.996 505 T CB 0.442 68.709 68.868 -1.002 0.000 0.927 505 T HN 0.138 nan 8.240 nan 0.000 0.456 506 H N 2.612 121.491 119.070 -0.317 0.000 2.517 506 H HA 0.198 4.756 4.556 0.004 0.000 0.282 506 H C 0.780 176.161 175.328 0.089 0.000 1.023 506 H CA -0.790 55.243 56.048 -0.024 0.000 1.169 506 H CB -0.206 29.598 29.762 0.071 0.000 1.454 506 H HN 0.589 nan 8.280 nan 0.000 0.556 507 F N 0.913 120.942 119.950 0.132 0.000 2.120 507 F HA -0.190 4.338 4.527 0.002 0.000 0.300 507 F C 2.333 178.164 175.800 0.052 0.000 1.095 507 F CA 0.486 58.525 58.000 0.066 0.000 1.249 507 F CB -1.091 37.914 39.000 0.010 0.000 0.995 507 F HN 0.155 nan 8.300 nan 0.000 0.480 508 I N 0.241 120.952 120.570 0.236 0.000 2.113 508 I HA -0.310 3.862 4.170 0.003 0.000 0.238 508 I C 2.806 178.985 176.117 0.104 0.000 1.070 508 I CA 1.802 63.186 61.300 0.140 0.000 1.332 508 I CB -0.692 37.371 38.000 0.105 0.000 1.044 508 I HN 0.202 nan 8.210 nan 0.000 0.402 509 Q N 1.263 121.124 119.800 0.102 0.000 2.167 509 Q HA -0.153 4.189 4.340 0.003 0.000 0.202 509 Q C 2.140 178.170 176.000 0.049 0.000 0.970 509 Q CA 1.582 57.411 55.803 0.045 0.000 0.855 509 Q CB -0.670 28.061 28.738 -0.011 0.000 0.911 509 Q HN 0.531 nan 8.270 nan 0.000 0.438 510 L N 1.118 122.401 121.223 0.100 0.000 2.141 510 L HA -0.091 4.250 4.340 0.003 0.000 0.209 510 L C 2.567 179.476 176.870 0.066 0.000 1.094 510 L CA 1.059 55.951 54.840 0.087 0.000 0.763 510 L CB -0.370 41.773 42.059 0.141 0.000 0.908 510 L HN 0.177 nan 8.230 nan 0.000 0.437 511 S N -0.391 115.356 115.700 0.078 0.000 2.368 511 S HA -0.191 4.280 4.470 0.003 0.000 0.225 511 S C 2.065 176.681 174.600 0.026 0.000 1.030 511 S CA 1.123 59.350 58.200 0.044 0.000 0.999 511 S CB -0.244 62.982 63.200 0.044 0.000 0.844 511 S HN 0.329 nan 8.310 nan 0.000 0.459 512 R N 0.844 121.360 120.500 0.027 0.000 2.127 512 R HA -0.018 4.323 4.340 0.003 0.000 0.238 512 R C 1.953 178.255 176.300 0.003 0.000 1.134 512 R CA 0.990 57.096 56.100 0.011 0.000 0.975 512 R CB -0.328 29.975 30.300 0.005 0.000 0.865 512 R HN 0.375 nan 8.270 nan 0.000 0.447 513 L N -0.095 121.130 121.223 0.005 0.000 2.275 513 L HA -0.106 4.236 4.340 0.003 0.000 0.215 513 L C 2.098 178.969 176.870 0.002 0.000 1.119 513 L CA 0.905 55.745 54.840 -0.001 0.000 0.790 513 L CB -0.115 41.943 42.059 -0.001 0.000 0.919 513 L HN 0.114 nan 8.230 nan 0.000 0.443 514 R N -0.837 119.667 120.500 0.006 0.000 2.344 514 R HA 0.246 4.588 4.340 0.003 0.000 0.209 514 R C 1.998 178.299 176.300 0.003 0.000 0.886 514 R CA 0.763 56.866 56.100 0.005 0.000 1.040 514 R CB -0.171 30.133 30.300 0.007 0.000 1.114 514 R HN 0.132 nan 8.270 nan 0.000 0.547 515 A N 0.692 123.514 122.820 0.003 0.000 2.125 515 A HA -0.024 4.298 4.320 0.003 0.000 0.219 515 A C 2.062 179.647 177.584 0.000 0.000 1.156 515 A CA 1.574 53.612 52.037 0.002 0.000 0.671 515 A CB -0.725 18.276 19.000 0.003 0.000 0.794 515 A HN 0.327 nan 8.150 nan 0.000 0.459 516 G N -0.806 107.994 108.800 -0.000 0.000 2.509 516 G HA2 0.134 4.095 3.960 0.003 0.000 0.218 516 G HA3 0.134 4.095 3.960 0.003 0.000 0.218 516 G C 0.674 175.574 174.900 -0.001 0.000 1.124 516 G CA 0.776 45.875 45.100 -0.001 0.000 0.776 516 G HN 0.439 nan 8.290 nan 0.000 0.547 517 S N -0.593 115.107 115.700 -0.000 0.000 2.541 517 S HA 0.339 4.811 4.470 0.003 0.000 0.283 517 S C 0.824 175.424 174.600 0.000 0.000 1.196 517 S CA -0.648 57.552 58.200 0.000 0.000 1.062 517 S CB 2.047 65.247 63.200 0.001 0.000 1.009 517 S HN 0.238 nan 8.310 nan 0.000 0.502 518 K N 1.328 121.728 120.400 0.000 0.000 2.296 518 K HA 0.082 4.404 4.320 0.003 0.000 0.200 518 K C -0.117 176.484 176.600 0.000 0.000 1.048 518 K CA 0.645 56.932 56.287 0.000 0.000 0.966 518 K CB 0.089 32.589 32.500 -0.000 0.000 0.754 518 K HN 0.388 nan 8.250 nan 0.000 0.466 519 N N 1.773 120.473 118.700 0.001 0.000 2.621 519 N HA 0.174 4.916 4.740 0.003 0.000 0.237 519 N C -0.634 174.877 175.510 0.002 0.000 0.997 519 N CA -0.166 52.885 53.050 0.001 0.000 0.918 519 N CB 1.077 39.565 38.487 0.001 0.000 1.122 519 N HN 0.016 nan 8.380 nan 0.000 0.510 520 L N 1.406 122.631 121.223 0.002 0.000 2.506 520 L HA 0.156 4.498 4.340 0.003 0.000 0.281 520 L C 0.232 177.104 176.870 0.004 0.000 1.228 520 L CA 0.079 54.921 54.840 0.003 0.000 0.850 520 L CB 0.352 42.412 42.059 0.002 0.000 1.110 520 L HN 0.039 nan 8.230 nan 0.000 0.496 521 V N 1.641 121.558 119.914 0.004 0.000 2.709 521 V HA 0.267 4.389 4.120 0.003 0.000 0.308 521 V C 0.056 176.154 176.094 0.006 0.000 1.062 521 V CA -0.710 61.593 62.300 0.006 0.000 0.901 521 V CB 2.000 33.826 31.823 0.005 0.000 1.003 521 V HN 0.829 nan 8.190 nan 0.000 0.425 522 S N 3.316 119.021 115.700 0.008 0.000 2.576 522 S HA 0.502 4.973 4.470 0.003 0.000 0.272 522 S C -0.239 174.367 174.600 0.011 0.000 1.352 522 S CA -0.002 58.203 58.200 0.009 0.000 1.021 522 S CB 0.844 64.051 63.200 0.012 0.000 0.887 522 S HN 0.540 nan 8.310 nan 0.000 0.542 523 L N 0.000 121.231 121.223 0.013 0.000 2.949 523 L HA 0.000 4.342 4.340 0.003 0.000 0.249 523 L CA 0.000 54.849 54.840 0.015 0.000 0.813 523 L CB 0.000 42.070 42.059 0.018 0.000 0.961 523 L HN 0.000 nan 8.230 nan 0.000 0.502