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 1xkh_1_C DATA FIRST_RESID 129 DATA SEQUENCE ATXITSNQLG TITEDSGSYT PGTIATATRL VLTPRETPQS ITVVTRQNXD DATA SEQUENCE DFGLNNIDDV XRHTPGITVS AYDTDRNNYY ARGFSINNFQ YDGIPSTARN DATA SEQUENCE VGYSAGNTLS DXAIYDRVEV LKGATGLLTG AGSLGATINL IRKKPTHEFK DATA SEQUENCE GHVELGAGSW DNYRSELDVS GPLTESGNVR GRAVAAYQDK HSFXDHYERK DATA SEQUENCE TSVYYGILEF DLNPDTXLTV GADYQDNDPK GSGWSGSFPL FDSQGNRNDV DATA SEQUENCE SRSFNNGAKW SSWEQYTRTV FANLEHNFAN GWVGKVQLDH KINGYHAPLG DATA SEQUENCE AIXGDWPAPD NSAKIVAQKY TGETKSNSLD IYLTGPFQFL GREHELVVGT DATA SEQUENCE SASFSHWEGK SYWNLRNYDN TTDDFINWDG DIGKPDWGTP SQYIDDKTRQ DATA SEQUENCE LGSYXTARFN VTDDLNLFLG GRVVDYRVTG LNPTIRESGR FIPYVGAVYD DATA SEQUENCE LNDTYSVYAS YTDIFXPQDS WYRDSSNKLL EPDEGQNYEI GIKGEYLDGR DATA SEQUENCE LNTSLAYFEI HEENRAEEDA LYNSKPTNPA ITYAYKGIKA KTKGYEAEIS DATA SEQUENCE GELAPGWQVQ AGYTHKIIRD DSGKKVSTWE PQDQLSLYTS YKFKGALDKL DATA SEQUENCE TVGGGARWQG KSWQXVYNNP RSRWEKFSQE DYWLVDLXAR YQITDKLSAS DATA SEQUENCE VNVNNVFDKT YYTNIGFYTS ASYGDPRNLX FSTRWDF 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 129 A HA 0.000 nan 4.320 nan 0.000 0.244 129 A C 0.000 177.585 177.584 0.002 0.000 1.274 129 A CA 0.000 52.037 52.037 -0.001 0.000 0.836 129 A CB 0.000 19.003 19.000 0.005 0.000 0.831 133 T N -0.188 114.390 114.554 0.040 0.000 3.040 133 T HA 0.114 4.463 4.350 -0.000 0.000 0.250 133 T C 1.046 175.767 174.700 0.036 0.000 1.058 133 T CA 0.387 62.513 62.100 0.042 0.000 0.988 133 T CB 0.201 69.088 68.868 0.031 0.000 0.993 133 T HN 0.652 nan 8.240 nan 0.000 0.519 134 S N 2.214 117.935 115.700 0.035 0.000 2.647 134 S HA 0.706 5.176 4.470 -0.000 0.000 0.284 134 S C -0.038 174.582 174.600 0.035 0.000 1.134 134 S CA -0.695 57.523 58.200 0.030 0.000 1.027 134 S CB 1.300 64.517 63.200 0.028 0.000 1.180 134 S HN 0.645 nan 8.310 nan 0.000 0.521 135 N N -1.930 116.790 118.700 0.033 0.000 3.547 135 N HA 0.152 4.892 4.740 -0.000 0.000 0.347 135 N C 0.676 176.213 175.510 0.045 0.000 1.533 135 N CA -0.456 52.617 53.050 0.038 0.000 0.848 135 N CB 0.100 38.605 38.487 0.029 0.000 2.112 135 N HN 0.498 nan 8.380 nan 0.000 0.527 136 Q N 0.409 120.242 119.800 0.056 0.000 2.016 136 Q HA -0.006 4.334 4.340 -0.000 0.000 0.200 136 Q C 1.715 177.755 176.000 0.067 0.000 0.978 136 Q CA 1.662 57.516 55.803 0.084 0.000 0.833 136 Q CB -0.698 28.109 28.738 0.114 0.000 0.895 136 Q HN 0.716 nan 8.270 nan 0.000 0.427 137 L N 0.279 121.529 121.223 0.046 0.000 2.291 137 L HA 0.133 4.473 4.340 -0.000 0.000 0.214 137 L C 1.015 177.889 176.870 0.007 0.000 1.120 137 L CA 0.699 55.551 54.840 0.021 0.000 0.799 137 L CB -0.494 41.572 42.059 0.011 0.000 0.925 137 L HN 0.482 nan 8.230 nan 0.000 0.446 138 G N -0.476 108.333 108.800 0.015 0.000 2.528 138 G HA2 -0.120 3.839 3.960 -0.000 0.000 0.681 138 G HA3 -0.120 3.839 3.960 -0.000 0.000 0.681 138 G C -0.252 174.655 174.900 0.013 0.000 1.340 138 G CA -0.487 44.620 45.100 0.011 0.000 0.855 138 G HN -0.026 nan 8.290 nan 0.000 0.649 139 T N 1.064 115.627 114.554 0.016 0.000 2.781 139 T HA 0.171 4.521 4.350 -0.000 0.000 0.270 139 T C 1.361 176.070 174.700 0.015 0.000 1.022 139 T CA 0.853 62.964 62.100 0.018 0.000 1.144 139 T CB -0.461 68.418 68.868 0.019 0.000 1.039 139 T HN 0.760 nan 8.240 nan 0.000 0.494 140 I N 4.271 124.851 120.570 0.016 0.000 3.138 140 I HA 0.180 4.349 4.170 -0.000 0.000 0.288 140 I C 1.892 178.020 176.117 0.017 0.000 1.148 140 I CA -0.159 61.150 61.300 0.014 0.000 1.315 140 I CB 0.814 38.820 38.000 0.011 0.000 1.426 140 I HN 0.894 nan 8.210 nan 0.000 0.615 141 T N -2.781 111.784 114.554 0.018 0.000 2.975 141 T HA 0.057 4.406 4.350 -0.000 0.000 0.257 141 T C 1.169 175.883 174.700 0.023 0.000 1.003 141 T CA -0.265 61.850 62.100 0.026 0.000 0.932 141 T CB -0.060 68.826 68.868 0.029 0.000 1.087 141 T HN 0.630 nan 8.240 nan 0.000 0.512 142 E N 1.021 121.229 120.200 0.012 0.000 2.501 142 E HA -0.130 4.220 4.350 -0.000 0.000 0.203 142 E C 0.565 177.158 176.600 -0.012 0.000 1.072 142 E CA 0.678 57.077 56.400 -0.001 0.000 0.885 142 E CB 0.083 29.777 29.700 -0.009 0.000 0.813 142 E HN 0.487 nan 8.360 nan 0.000 0.556 143 D N -1.085 119.316 120.400 0.002 0.000 3.066 143 D HA 0.103 4.743 4.640 -0.000 0.000 0.225 143 D C -0.408 175.899 176.300 0.012 0.000 1.397 143 D CA -0.014 53.986 54.000 0.000 0.000 1.344 143 D CB 0.187 40.989 40.800 0.003 0.000 0.934 143 D HN -0.203 nan 8.370 nan 0.000 0.202 144 S N 0.930 116.642 115.700 0.019 0.000 3.211 144 S HA 0.154 4.623 4.470 -0.000 0.000 0.375 144 S C 0.801 175.423 174.600 0.036 0.000 0.945 144 S CA 0.345 58.560 58.200 0.025 0.000 1.951 144 S CB -0.723 62.495 63.200 0.030 0.000 1.183 144 S HN 0.419 nan 8.310 nan 0.000 0.649 145 G N 2.815 111.631 108.800 0.026 0.000 2.990 145 G HA2 0.194 4.153 3.960 -0.000 0.000 0.256 145 G HA3 0.194 4.153 3.960 -0.000 0.000 0.256 145 G C 0.077 174.987 174.900 0.017 0.000 0.798 145 G CA -0.185 44.936 45.100 0.034 0.000 2.012 145 G HN 0.543 nan 8.290 nan 0.000 0.598 146 S N -0.069 115.667 115.700 0.060 0.000 2.659 146 S HA 0.377 4.847 4.470 -0.000 0.000 0.312 146 S C 0.847 175.556 174.600 0.181 0.000 1.114 146 S CA -0.735 57.496 58.200 0.051 0.000 1.063 146 S CB 0.509 63.736 63.200 0.045 0.000 0.996 146 S HN 0.320 nan 8.310 nan 0.000 0.478 147 Y N 2.423 122.752 120.300 0.048 0.000 2.365 147 Y HA -0.040 4.510 4.550 -0.000 0.000 0.287 147 Y C 1.948 177.859 175.900 0.020 0.000 1.162 147 Y CA 0.718 58.840 58.100 0.038 0.000 1.260 147 Y CB -0.932 37.560 38.460 0.053 0.000 0.976 147 Y HN 0.469 nan 8.280 nan 0.000 0.548 148 T N 2.754 117.412 114.554 0.172 0.000 2.910 148 T HA 0.224 4.574 4.350 -0.000 0.000 0.293 148 T C -2.149 172.592 174.700 0.069 0.000 1.015 148 T CA -1.731 60.428 62.100 0.098 0.000 1.094 148 T CB 1.051 69.965 68.868 0.076 0.000 0.968 148 T HN -0.051 nan 8.240 nan 0.000 0.521 149 P HA 0.338 nan 4.420 nan 0.000 0.276 149 P C 0.389 177.701 177.300 0.021 0.000 1.261 149 P CA -0.362 62.751 63.100 0.022 0.000 0.800 149 P CB 1.083 32.784 31.700 0.001 0.000 1.066 150 G N -0.189 108.620 108.800 0.014 0.000 2.808 150 G HA2 0.223 4.183 3.960 -0.000 0.000 0.210 150 G HA3 0.223 4.183 3.960 -0.000 0.000 0.210 150 G C -0.077 174.827 174.900 0.007 0.000 1.177 150 G CA 0.478 45.586 45.100 0.014 0.000 0.853 150 G HN 0.782 nan 8.290 nan 0.000 0.625 151 T N -0.937 113.618 114.554 0.001 0.000 3.237 151 T HA 0.558 4.908 4.350 -0.000 0.000 0.319 151 T C -0.842 173.849 174.700 -0.015 0.000 1.037 151 T CA -0.692 61.406 62.100 -0.003 0.000 1.048 151 T CB 1.200 70.072 68.868 0.006 0.000 1.081 151 T HN 0.764 nan 8.240 nan 0.000 0.455 152 I N 1.005 121.557 120.570 -0.030 0.000 2.389 152 I HA 0.837 5.006 4.170 -0.000 0.000 0.288 152 I C 0.709 176.789 176.117 -0.063 0.000 0.999 152 I CA -1.357 59.914 61.300 -0.049 0.000 1.129 152 I CB 1.699 39.659 38.000 -0.067 0.000 1.288 152 I HN 0.704 nan 8.210 nan 0.000 0.444 153 A N 3.659 126.440 122.820 -0.065 0.000 2.275 153 A HA 0.042 4.362 4.320 -0.000 0.000 0.212 153 A C 1.878 179.379 177.584 -0.140 0.000 1.201 153 A CA 0.740 52.724 52.037 -0.088 0.000 0.843 153 A CB -0.400 18.561 19.000 -0.065 0.000 0.873 153 A HN 0.866 nan 8.150 nan 0.000 0.492 154 T N -0.684 113.792 114.554 -0.130 0.000 2.969 154 T HA -0.085 4.265 4.350 -0.000 0.000 0.271 154 T C 1.658 176.230 174.700 -0.214 0.000 1.127 154 T CA 1.924 63.930 62.100 -0.157 0.000 1.102 154 T CB -0.337 68.451 68.868 -0.134 0.000 0.855 154 T HN 0.547 nan 8.240 nan 0.000 0.536 155 A N 0.370 123.055 122.820 -0.225 0.000 1.887 155 A HA 0.185 4.505 4.320 -0.000 0.000 0.210 155 A C 2.261 179.602 177.584 -0.405 0.000 1.221 155 A CA 1.328 53.185 52.037 -0.300 0.000 0.635 155 A CB -0.224 18.623 19.000 -0.254 0.000 0.881 155 A HN 0.606 nan 8.150 nan 0.000 0.456 156 T N -5.193 109.176 114.554 -0.309 0.000 3.145 156 T HA 0.350 4.700 4.350 -0.000 0.000 0.281 156 T C 0.594 175.141 174.700 -0.255 0.000 1.003 156 T CA 0.636 62.558 62.100 -0.296 0.000 0.901 156 T CB 0.175 68.979 68.868 -0.107 0.000 1.112 156 T HN 0.483 nan 8.240 nan 0.000 0.535 157 R N -0.875 119.456 120.500 -0.282 0.000 4.016 157 R HA -0.153 4.187 4.340 -0.000 0.000 0.385 157 R C -1.100 175.082 176.300 -0.197 0.000 1.158 157 R CA 0.730 56.637 56.100 -0.322 0.000 1.117 157 R CB -1.933 28.059 30.300 -0.513 0.000 1.635 157 R HN 0.461 nan 8.270 nan 0.000 0.560 158 L N 0.674 121.833 121.223 -0.107 0.000 2.298 158 L HA 0.387 4.727 4.340 -0.000 0.000 0.284 158 L C -0.005 176.860 176.870 -0.009 0.000 1.013 158 L CA -0.285 54.539 54.840 -0.027 0.000 0.824 158 L CB 1.661 43.735 42.059 0.024 0.000 1.221 158 L HN 0.043 nan 8.230 nan 0.000 0.418 159 V N 6.890 126.806 119.914 0.004 0.000 2.681 159 V HA 0.145 4.264 4.120 -0.000 0.000 0.306 159 V C -0.425 175.681 176.094 0.021 0.000 1.077 159 V CA 0.652 62.957 62.300 0.008 0.000 1.224 159 V CB 0.067 31.902 31.823 0.019 0.000 0.879 159 V HN 0.667 nan 8.190 nan 0.000 0.494 160 L N 5.038 126.270 121.223 0.014 0.000 2.582 160 L HA 0.516 4.856 4.340 -0.000 0.000 0.257 160 L C 0.195 177.071 176.870 0.010 0.000 0.974 160 L CA -0.359 54.499 54.840 0.031 0.000 0.851 160 L CB 2.186 44.278 42.059 0.056 0.000 1.424 160 L HN 0.731 nan 8.230 nan 0.000 0.412 161 T N -2.479 112.085 114.554 0.017 0.000 2.689 161 T HA 0.337 4.687 4.350 -0.000 0.000 0.308 161 T C -2.099 172.592 174.700 -0.014 0.000 1.021 161 T CA -1.085 61.017 62.100 0.004 0.000 0.973 161 T CB 0.665 69.538 68.868 0.009 0.000 1.113 161 T HN 0.414 nan 8.240 nan 0.000 0.522 162 P HA 0.097 nan 4.420 nan 0.000 0.215 162 P C 1.801 179.058 177.300 -0.072 0.000 1.157 162 P CA 0.603 63.670 63.100 -0.055 0.000 0.856 162 P CB -0.014 31.662 31.700 -0.040 0.000 0.786 163 R N 0.807 121.284 120.500 -0.037 0.000 2.091 163 R HA -0.168 4.172 4.340 -0.000 0.000 0.238 163 R C 1.721 178.023 176.300 0.004 0.000 1.136 163 R CA 1.599 57.683 56.100 -0.026 0.000 0.959 163 R CB -0.448 29.850 30.300 -0.003 0.000 0.856 163 R HN 0.209 nan 8.270 nan 0.000 0.437 164 E N -0.372 119.847 120.200 0.032 0.000 2.516 164 E HA -0.030 4.319 4.350 -0.000 0.000 0.199 164 E C -0.310 176.368 176.600 0.131 0.000 1.069 164 E CA 0.437 56.899 56.400 0.104 0.000 0.876 164 E CB 0.348 30.109 29.700 0.101 0.000 0.843 164 E HN 0.178 nan 8.360 nan 0.000 0.530 165 T N 2.737 117.285 114.554 -0.010 0.000 2.743 165 T HA 0.137 4.487 4.350 -0.000 0.000 0.292 165 T C -1.946 172.613 174.700 -0.234 0.000 0.972 165 T CA -1.466 60.562 62.100 -0.120 0.000 0.967 165 T CB 1.566 70.352 68.868 -0.137 0.000 0.926 165 T HN 0.010 nan 8.240 nan 0.000 0.459 166 P HA 0.100 nan 4.420 nan 0.000 0.255 166 P C -0.213 177.129 177.300 0.070 0.000 1.427 166 P CA 0.043 63.100 63.100 -0.071 0.000 0.863 166 P CB 0.476 32.176 31.700 -0.001 0.000 1.444 167 Q N -0.893 118.844 119.800 -0.106 0.000 2.433 167 Q HA 0.404 4.744 4.340 -0.000 0.000 0.279 167 Q C -0.423 175.552 176.000 -0.041 0.000 1.105 167 Q CA -0.872 54.965 55.803 0.057 0.000 0.815 167 Q CB 1.933 30.672 28.738 0.002 0.000 1.403 167 Q HN -0.157 nan 8.270 nan 0.000 0.435 168 S N 1.241 116.990 115.700 0.081 0.000 2.533 168 S HA 0.318 4.787 4.470 -0.000 0.000 0.282 168 S C -0.482 174.080 174.600 -0.063 0.000 1.304 168 S CA -0.114 58.105 58.200 0.032 0.000 1.063 168 S CB 0.079 63.321 63.200 0.070 0.000 0.881 168 S HN 0.324 nan 8.310 nan 0.000 0.493 169 I N 3.451 123.973 120.570 -0.081 0.000 2.865 169 I HA 0.474 4.644 4.170 -0.000 0.000 0.302 169 I C -0.411 175.660 176.117 -0.076 0.000 1.140 169 I CA -0.375 60.868 61.300 -0.095 0.000 1.021 169 I CB 2.321 40.257 38.000 -0.108 0.000 1.233 169 I HN 0.551 nan 8.210 nan 0.000 0.427 170 T N 3.612 118.114 114.554 -0.088 0.000 3.105 170 T HA 0.497 4.846 4.350 -0.000 0.000 0.321 170 T C -1.256 173.388 174.700 -0.093 0.000 1.135 170 T CA -0.458 61.595 62.100 -0.077 0.000 1.053 170 T CB 2.272 71.089 68.868 -0.084 0.000 1.133 170 T HN 0.426 nan 8.240 nan 0.000 0.463 171 V N 3.459 123.326 119.914 -0.078 0.000 2.760 171 V HA 0.770 4.890 4.120 -0.000 0.000 0.309 171 V C -1.247 174.795 176.094 -0.087 0.000 1.077 171 V CA -0.555 61.693 62.300 -0.088 0.000 0.910 171 V CB 2.074 33.855 31.823 -0.070 0.000 1.008 171 V HN 0.711 nan 8.190 nan 0.000 0.424 172 V N 6.121 125.967 119.914 -0.113 0.000 2.364 172 V HA 0.385 4.504 4.120 -0.000 0.000 0.272 172 V C 0.817 176.850 176.094 -0.102 0.000 1.036 172 V CA 0.411 62.630 62.300 -0.135 0.000 0.880 172 V CB 1.332 33.050 31.823 -0.174 0.000 0.991 172 V HN 1.105 nan 8.190 nan 0.000 0.460 173 T N 4.168 118.675 114.554 -0.077 0.000 2.698 173 T HA 0.161 4.511 4.350 -0.000 0.000 0.295 173 T C 1.225 175.909 174.700 -0.027 0.000 1.007 173 T CA 0.074 62.162 62.100 -0.021 0.000 0.980 173 T CB 0.889 69.786 68.868 0.049 0.000 1.036 173 T HN 0.730 nan 8.240 nan 0.000 0.526 174 R N 0.305 120.813 120.500 0.013 0.000 2.080 174 R HA 0.093 4.432 4.340 -0.000 0.000 0.222 174 R C 2.308 178.632 176.300 0.040 0.000 1.107 174 R CA 1.537 57.647 56.100 0.017 0.000 0.980 174 R CB -0.754 29.561 30.300 0.025 0.000 0.879 174 R HN 0.605 nan 8.270 nan 0.000 0.439 175 Q N 0.830 120.685 119.800 0.092 0.000 2.439 175 Q HA -0.067 4.273 4.340 -0.000 0.000 0.211 175 Q C 0.079 176.228 176.000 0.248 0.000 0.978 175 Q CA 0.891 56.789 55.803 0.159 0.000 0.897 175 Q CB -0.444 28.412 28.738 0.197 0.000 0.956 175 Q HN 0.280 nan 8.270 nan 0.000 0.483 179 D N 0.839 121.273 120.400 0.057 0.000 2.154 179 D HA -0.159 4.481 4.640 -0.000 0.000 0.190 179 D C 1.568 177.734 176.300 -0.224 0.000 1.003 179 D CA 1.353 55.325 54.000 -0.046 0.000 0.849 179 D CB -0.352 40.492 40.800 0.073 0.000 0.942 179 D HN 0.227 nan 8.370 nan 0.000 0.446 180 F N -0.053 119.810 119.950 -0.144 0.000 2.773 180 F HA 0.280 4.807 4.527 -0.000 0.000 0.304 180 F C 1.625 177.310 175.800 -0.191 0.000 1.129 180 F CA 0.205 58.077 58.000 -0.215 0.000 1.378 180 F CB -0.208 38.516 39.000 -0.460 0.000 1.095 180 F HN -0.055 nan 8.300 nan 0.000 0.565 181 G N 1.642 110.437 108.800 -0.007 0.000 2.350 181 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.298 181 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.298 181 G C -0.029 174.866 174.900 -0.008 0.000 1.037 181 G CA -0.251 44.848 45.100 -0.002 0.000 1.074 181 G HN 0.388 nan 8.290 nan 0.000 0.511 182 L N 0.448 121.644 121.223 -0.045 0.000 2.358 182 L HA 0.241 4.581 4.340 -0.000 0.000 0.274 182 L C 1.331 178.189 176.870 -0.020 0.000 1.136 182 L CA -1.029 53.770 54.840 -0.068 0.000 0.970 182 L CB 0.076 42.039 42.059 -0.160 0.000 1.314 182 L HN 0.154 nan 8.230 nan 0.000 0.427 183 N N 2.390 121.100 118.700 0.017 0.000 2.085 183 N HA -0.100 4.640 4.740 -0.000 0.000 0.191 183 N C 0.632 176.158 175.510 0.027 0.000 1.058 183 N CA 0.945 54.017 53.050 0.036 0.000 0.849 183 N CB -0.239 38.285 38.487 0.062 0.000 1.038 183 N HN 0.650 nan 8.380 nan 0.000 0.434 184 N N 0.751 119.471 118.700 0.033 0.000 2.445 184 N HA 0.035 4.775 4.740 -0.000 0.000 0.264 184 N C 1.177 176.681 175.510 -0.011 0.000 1.227 184 N CA -0.489 52.573 53.050 0.020 0.000 0.963 184 N CB 0.906 39.417 38.487 0.040 0.000 1.188 184 N HN 0.002 nan 8.380 nan 0.000 0.491 185 I N 0.074 120.623 120.570 -0.036 0.000 2.208 185 I HA -0.275 3.894 4.170 -0.000 0.000 0.245 185 I C 0.751 176.838 176.117 -0.050 0.000 1.097 185 I CA 1.706 62.960 61.300 -0.076 0.000 1.363 185 I CB -0.821 37.134 38.000 -0.076 0.000 1.051 185 I HN 0.624 nan 8.210 nan 0.000 0.413 186 D N 1.157 121.585 120.400 0.046 0.000 2.154 186 D HA -0.248 4.392 4.640 -0.000 0.000 0.190 186 D C 1.421 177.730 176.300 0.015 0.000 1.003 186 D CA 1.706 55.760 54.000 0.090 0.000 0.849 186 D CB -0.434 40.447 40.800 0.135 0.000 0.942 186 D HN 0.430 nan 8.370 nan 0.000 0.446 187 D N 0.339 120.758 120.400 0.033 0.000 2.420 187 D HA -0.057 4.583 4.640 -0.000 0.000 0.233 187 D C 0.575 176.875 176.300 0.001 0.000 1.017 187 D CA 0.233 54.263 54.000 0.051 0.000 0.951 187 D CB 0.377 41.205 40.800 0.046 0.000 0.877 187 D HN 0.082 nan 8.370 nan 0.000 0.528 191 H N 1.078 120.041 119.070 -0.179 0.000 2.539 191 H HA 0.224 4.780 4.556 -0.000 0.000 0.269 191 H C -0.097 175.127 175.328 -0.174 0.000 0.980 191 H CA 0.679 56.563 56.048 -0.273 0.000 1.152 191 H CB 0.715 30.103 29.762 -0.624 0.000 1.407 191 H HN 0.018 nan 8.280 nan 0.000 0.564 192 T N 4.232 118.734 114.554 -0.086 0.000 2.913 192 T HA 0.159 4.509 4.350 -0.000 0.000 0.297 192 T C -2.231 172.430 174.700 -0.065 0.000 1.029 192 T CA -1.212 60.825 62.100 -0.105 0.000 1.104 192 T CB 1.816 70.578 68.868 -0.177 0.000 0.964 192 T HN 0.199 nan 8.240 nan 0.000 0.532 193 P HA 0.426 nan 4.420 nan 0.000 0.294 193 P C 0.659 177.906 177.300 -0.088 0.000 1.294 193 P CA -0.252 62.819 63.100 -0.047 0.000 0.827 193 P CB 1.390 33.082 31.700 -0.013 0.000 0.992 194 G N 2.766 111.497 108.800 -0.115 0.000 2.213 194 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.226 194 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.226 194 G C -0.022 174.781 174.900 -0.162 0.000 0.992 194 G CA -0.228 44.787 45.100 -0.142 0.000 0.632 194 G HN 0.494 nan 8.290 nan 0.000 0.511 195 I N 1.831 122.311 120.570 -0.151 0.000 2.607 195 I HA 0.584 4.754 4.170 -0.000 0.000 0.305 195 I C 0.088 176.130 176.117 -0.124 0.000 0.995 195 I CA -0.717 60.505 61.300 -0.130 0.000 1.148 195 I CB 2.131 40.038 38.000 -0.156 0.000 1.323 195 I HN 0.092 nan 8.210 nan 0.000 0.461 196 T N 2.888 117.411 114.554 -0.051 0.000 2.812 196 T HA 0.438 4.787 4.350 -0.000 0.000 0.282 196 T C -0.399 174.335 174.700 0.057 0.000 0.990 196 T CA -0.641 61.428 62.100 -0.051 0.000 0.960 196 T CB 1.702 70.529 68.868 -0.067 0.000 0.948 196 T HN 0.179 nan 8.240 nan 0.000 0.438 197 V N 3.335 123.256 119.914 0.012 0.000 2.353 197 V HA 0.480 4.600 4.120 -0.000 0.000 0.264 197 V C 0.470 176.589 176.094 0.042 0.000 1.049 197 V CA -0.181 62.166 62.300 0.078 0.000 0.896 197 V CB 0.845 32.723 31.823 0.091 0.000 1.025 197 V HN 1.032 nan 8.190 nan 0.000 0.475 198 S N 4.470 120.147 115.700 -0.039 0.000 2.638 198 S HA 0.905 5.375 4.470 -0.000 0.000 0.298 198 S C -0.181 174.226 174.600 -0.322 0.000 1.111 198 S CA -0.022 58.137 58.200 -0.068 0.000 1.027 198 S CB 1.745 64.917 63.200 -0.047 0.000 1.064 198 S HN 0.974 nan 8.310 nan 0.000 0.525 199 A N 1.982 124.598 122.820 -0.339 0.000 2.384 199 A HA 0.799 5.119 4.320 -0.000 0.000 0.312 199 A C -1.067 176.091 177.584 -0.710 0.000 1.113 199 A CA -0.516 51.259 52.037 -0.436 0.000 0.779 199 A CB 0.667 19.572 19.000 -0.158 0.000 1.307 199 A HN 0.902 nan 8.150 nan 0.000 0.436 200 Y N 0.289 120.287 120.300 -0.504 0.000 2.624 200 Y HA 0.232 4.782 4.550 -0.000 0.000 0.260 200 Y C 0.111 175.884 175.900 -0.212 0.000 1.090 200 Y CA 0.675 58.318 58.100 -0.762 0.000 1.347 200 Y CB 0.417 38.453 38.460 -0.706 0.000 1.349 200 Y HN 0.655 nan 8.280 nan 0.000 0.502 201 D N -1.859 118.592 120.400 0.086 0.000 2.602 201 D HA 0.137 4.777 4.640 -0.000 0.000 0.236 201 D C 0.766 177.077 176.300 0.019 0.000 1.209 201 D CA 0.295 54.373 54.000 0.131 0.000 0.831 201 D CB 1.299 42.286 40.800 0.311 0.000 1.478 201 D HN 0.256 nan 8.370 nan 0.000 0.438 202 T N -1.163 113.404 114.554 0.022 0.000 2.684 202 T HA -0.332 4.018 4.350 -0.000 0.000 0.259 202 T C 0.617 175.259 174.700 -0.097 0.000 1.086 202 T CA 2.020 64.065 62.100 -0.092 0.000 1.155 202 T CB -0.556 68.281 68.868 -0.052 0.000 0.848 202 T HN 0.377 nan 8.240 nan 0.000 0.464 203 D N 1.390 121.750 120.400 -0.067 0.000 2.388 203 D HA 0.278 4.918 4.640 -0.000 0.000 0.221 203 D C 0.342 176.449 176.300 -0.322 0.000 1.133 203 D CA -0.015 53.892 54.000 -0.154 0.000 0.831 203 D CB 0.174 40.889 40.800 -0.142 0.000 0.962 203 D HN 0.577 nan 8.370 nan 0.000 0.502 204 R N 0.449 120.798 120.500 -0.251 0.000 2.515 204 R HA 0.454 4.794 4.340 -0.000 0.000 0.291 204 R C -0.727 175.534 176.300 -0.065 0.000 1.046 204 R CA -0.504 55.457 56.100 -0.230 0.000 0.914 204 R CB 1.753 31.847 30.300 -0.345 0.000 1.191 204 R HN -0.078 nan 8.270 nan 0.000 0.435 205 N N 1.114 119.732 118.700 -0.137 0.000 2.328 205 N HA 0.340 5.080 4.740 -0.000 0.000 0.299 205 N C -1.309 173.944 175.510 -0.428 0.000 1.179 205 N CA -0.996 51.889 53.050 -0.274 0.000 0.793 205 N CB 1.816 40.191 38.487 -0.187 0.000 1.366 205 N HN 0.564 nan 8.380 nan 0.000 0.493 206 N N -0.342 117.987 118.700 -0.619 0.000 2.265 206 N HA 0.354 5.094 4.740 -0.000 0.000 0.300 206 N C -1.998 173.182 175.510 -0.549 0.000 1.148 206 N CA -0.527 52.147 53.050 -0.628 0.000 0.772 206 N CB 0.918 39.005 38.487 -0.667 0.000 1.434 206 N HN 0.310 nan 8.380 nan 0.000 0.481 207 Y N 0.736 120.890 120.300 -0.243 0.000 2.331 207 Y HA 0.367 4.917 4.550 -0.000 0.000 0.338 207 Y C -0.863 174.914 175.900 -0.205 0.000 0.976 207 Y CA -0.928 57.053 58.100 -0.198 0.000 1.137 207 Y CB 0.584 38.968 38.460 -0.127 0.000 1.172 207 Y HN 0.465 nan 8.280 nan 0.000 0.478 208 Y N 1.863 122.177 120.300 0.022 0.000 2.350 208 Y HA 0.571 5.121 4.550 -0.000 0.000 0.340 208 Y C 0.154 175.999 175.900 -0.091 0.000 1.006 208 Y CA -1.107 56.961 58.100 -0.054 0.000 1.166 208 Y CB 1.110 39.503 38.460 -0.111 0.000 1.168 208 Y HN 0.658 nan 8.280 nan 0.000 0.502 209 A N 4.875 127.754 122.820 0.100 0.000 2.363 209 A HA 0.617 4.937 4.320 -0.000 0.000 0.296 209 A C -0.098 177.437 177.584 -0.081 0.000 1.237 209 A CA -1.019 50.997 52.037 -0.036 0.000 0.773 209 A CB 0.285 19.250 19.000 -0.059 0.000 1.153 209 A HN 0.921 nan 8.150 nan 0.000 0.473 210 R N 1.674 122.058 120.500 -0.193 0.000 3.146 210 R HA -0.238 4.102 4.340 -0.000 0.000 0.250 210 R C 1.192 177.320 176.300 -0.288 0.000 0.912 210 R CA 0.956 56.898 56.100 -0.264 0.000 0.633 210 R CB -1.864 28.173 30.300 -0.438 0.000 1.180 210 R HN 2.401 nan 8.270 nan 0.000 0.464 211 G N -1.084 107.533 108.800 -0.305 0.000 2.302 211 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.263 211 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.263 211 G C 0.082 174.743 174.900 -0.399 0.000 0.995 211 G CA 0.862 45.696 45.100 -0.443 0.000 0.622 211 G HN 0.386 nan 8.290 nan 0.000 0.538 212 F N 0.580 120.538 119.950 0.012 0.000 2.572 212 F HA 0.810 5.337 4.527 -0.000 0.000 0.342 212 F C 0.707 176.573 175.800 0.110 0.000 1.064 212 F CA -1.215 56.815 58.000 0.050 0.000 1.008 212 F CB 1.718 40.712 39.000 -0.009 0.000 1.303 212 F HN -0.057 nan 8.300 nan 0.000 0.492 213 S N 1.285 117.162 115.700 0.295 0.000 2.442 213 S HA 0.541 5.011 4.470 -0.000 0.000 0.297 213 S C -0.268 174.347 174.600 0.024 0.000 1.131 213 S CA -0.567 57.676 58.200 0.071 0.000 1.092 213 S CB 0.137 63.313 63.200 -0.039 0.000 0.998 213 S HN 0.309 nan 8.310 nan 0.000 0.478 214 I N 4.205 124.773 120.570 -0.004 0.000 2.598 214 I HA 0.130 4.300 4.170 -0.000 0.000 0.284 214 I C 1.063 177.147 176.117 -0.056 0.000 1.140 214 I CA 0.203 61.472 61.300 -0.052 0.000 1.420 214 I CB 0.255 38.217 38.000 -0.063 0.000 1.387 214 I HN 0.619 nan 8.210 nan 0.000 0.553 215 N N 6.251 124.906 118.700 -0.075 0.000 2.577 215 N HA 0.120 4.860 4.740 -0.000 0.000 0.285 215 N C -1.246 174.286 175.510 0.036 0.000 1.658 215 N CA -0.153 52.913 53.050 0.026 0.000 0.865 215 N CB 0.465 38.960 38.487 0.013 0.000 1.419 215 N HN 0.634 nan 8.380 nan 0.000 0.495 216 N N 1.032 119.661 118.700 -0.119 0.000 2.558 216 N HA 0.255 4.995 4.740 -0.000 0.000 0.285 216 N C -1.661 173.720 175.510 -0.214 0.000 1.112 216 N CA -0.150 52.864 53.050 -0.060 0.000 0.857 216 N CB 0.879 39.306 38.487 -0.100 0.000 1.376 216 N HN 0.046 nan 8.380 nan 0.000 0.526 217 F N 0.802 120.772 119.950 0.033 0.000 2.443 217 F HA 0.387 4.914 4.527 -0.000 0.000 0.335 217 F C 0.680 176.535 175.800 0.091 0.000 1.104 217 F CA -0.548 57.468 58.000 0.027 0.000 1.013 217 F CB 1.794 40.853 39.000 0.099 0.000 1.136 217 F HN 0.167 nan 8.300 nan 0.000 0.470 218 Q N 2.438 122.304 119.800 0.110 0.000 2.339 218 Q HA 0.362 4.702 4.340 -0.000 0.000 0.268 218 Q C -1.738 174.331 176.000 0.115 0.000 1.027 218 Q CA -0.720 55.167 55.803 0.140 0.000 0.759 218 Q CB 1.126 29.868 28.738 0.006 0.000 1.244 218 Q HN 0.513 nan 8.270 nan 0.000 0.464 219 Y N 2.428 122.790 120.300 0.104 0.000 2.350 219 Y HA 0.122 4.672 4.550 -0.000 0.000 0.340 219 Y C 0.306 176.261 175.900 0.091 0.000 1.006 219 Y CA -0.904 57.279 58.100 0.138 0.000 1.166 219 Y CB 0.856 39.421 38.460 0.174 0.000 1.168 219 Y HN 0.684 nan 8.280 nan 0.000 0.502 220 D N 2.961 123.466 120.400 0.176 0.000 2.701 220 D HA -0.222 4.418 4.640 -0.000 0.000 0.235 220 D C 1.293 177.633 176.300 0.068 0.000 1.155 220 D CA 1.494 55.541 54.000 0.078 0.000 0.649 220 D CB -0.858 39.951 40.800 0.014 0.000 1.050 220 D HN 1.139 nan 8.370 nan 0.000 0.425 221 G N -1.032 107.802 108.800 0.056 0.000 2.176 221 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.253 221 G HA3 -0.301 3.658 3.960 -0.000 0.000 0.253 221 G C 0.274 175.204 174.900 0.051 0.000 0.979 221 G CA 0.285 45.398 45.100 0.022 0.000 0.641 221 G HN 0.446 nan 8.290 nan 0.000 0.530 222 I N 2.867 123.506 120.570 0.116 0.000 2.359 222 I HA 0.384 4.553 4.170 -0.000 0.000 0.294 222 I C -1.379 174.836 176.117 0.163 0.000 0.987 222 I CA -3.126 58.250 61.300 0.127 0.000 1.225 222 I CB 0.981 39.068 38.000 0.144 0.000 1.366 222 I HN -0.039 nan 8.210 nan 0.000 0.466 223 P HA 0.204 nan 4.420 nan 0.000 0.277 223 P C -0.647 176.733 177.300 0.133 0.000 1.276 223 P CA -0.225 62.949 63.100 0.124 0.000 0.788 223 P CB 1.065 32.798 31.700 0.055 0.000 1.114 224 S N -2.418 113.367 115.700 0.142 0.000 2.549 224 S HA 0.476 4.946 4.470 -0.000 0.000 0.280 224 S C 0.150 174.780 174.600 0.050 0.000 1.109 224 S CA -0.462 57.782 58.200 0.073 0.000 0.905 224 S CB 0.826 64.083 63.200 0.096 0.000 1.081 224 S HN 0.450 nan 8.310 nan 0.000 0.477 225 T N -0.929 113.626 114.554 0.002 0.000 3.243 225 T HA 0.468 4.818 4.350 -0.000 0.000 0.264 225 T C 0.815 175.488 174.700 -0.045 0.000 1.000 225 T CA 0.086 62.186 62.100 0.001 0.000 0.901 225 T CB -0.004 68.871 68.868 0.012 0.000 1.083 225 T HN 0.963 nan 8.240 nan 0.000 0.559 226 A N 1.187 123.964 122.820 -0.072 0.000 2.503 226 A HA 0.415 4.734 4.320 -0.000 0.000 0.263 226 A C 2.029 179.541 177.584 -0.121 0.000 1.360 226 A CA -0.462 51.485 52.037 -0.152 0.000 0.969 226 A CB -0.543 18.359 19.000 -0.162 0.000 1.000 226 A HN 0.391 nan 8.150 nan 0.000 0.530 227 R N 0.978 121.443 120.500 -0.059 0.000 2.162 227 R HA -0.199 4.140 4.340 -0.000 0.000 0.245 227 R C 0.978 177.251 176.300 -0.045 0.000 1.129 227 R CA 1.890 57.980 56.100 -0.017 0.000 0.940 227 R CB -0.328 29.981 30.300 0.015 0.000 0.875 227 R HN 0.600 nan 8.270 nan 0.000 0.437 228 N N -0.131 118.524 118.700 -0.075 0.000 2.452 228 N HA -0.041 4.699 4.740 -0.000 0.000 0.266 228 N C 0.658 176.129 175.510 -0.065 0.000 1.175 228 N CA 0.324 53.358 53.050 -0.028 0.000 0.945 228 N CB 1.603 40.150 38.487 0.100 0.000 1.063 228 N HN 0.162 nan 8.380 nan 0.000 0.472 229 V N 2.236 122.095 119.914 -0.092 0.000 3.608 229 V HA 0.303 4.423 4.120 -0.000 0.000 0.269 229 V C 1.733 177.715 176.094 -0.186 0.000 1.245 229 V CA 1.188 63.384 62.300 -0.173 0.000 1.138 229 V CB -0.383 31.281 31.823 -0.265 0.000 0.841 229 V HN 0.537 nan 8.190 nan 0.000 0.451 230 G N 0.411 109.117 108.800 -0.157 0.000 2.432 230 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.219 230 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.219 230 G C 0.626 175.333 174.900 -0.321 0.000 1.135 230 G CA 0.945 45.886 45.100 -0.265 0.000 0.767 230 G HN 0.713 nan 8.290 nan 0.000 0.550 231 Y N 1.476 121.703 120.300 -0.122 0.000 2.553 231 Y HA 0.456 5.006 4.550 -0.000 0.000 0.369 231 Y C 0.665 176.357 175.900 -0.347 0.000 0.964 231 Y CA -1.316 56.532 58.100 -0.420 0.000 1.156 231 Y CB -0.024 38.105 38.460 -0.552 0.000 1.218 231 Y HN 0.103 nan 8.280 nan 0.000 0.630 232 S N 0.939 116.709 115.700 0.117 0.000 2.576 232 S HA 0.798 5.268 4.470 -0.000 0.000 0.276 232 S C 0.062 174.731 174.600 0.116 0.000 1.339 232 S CA -0.113 58.079 58.200 -0.013 0.000 1.039 232 S CB 1.596 64.663 63.200 -0.223 0.000 0.902 232 S HN 0.695 nan 8.310 nan 0.000 0.516 233 A N 1.327 124.131 122.820 -0.027 0.000 2.513 233 A HA 0.692 5.012 4.320 -0.000 0.000 0.285 233 A C 0.678 178.196 177.584 -0.111 0.000 1.047 233 A CA -0.182 51.855 52.037 -0.000 0.000 0.864 233 A CB 0.199 19.216 19.000 0.028 0.000 1.373 233 A HN 2.368 nan 8.150 nan 0.000 0.403 234 G N 2.787 111.523 108.800 -0.105 0.000 2.900 234 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.223 234 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.223 234 G C 1.181 175.980 174.900 -0.168 0.000 1.293 234 G CA 0.942 45.973 45.100 -0.116 0.000 0.792 234 G HN 0.789 nan 8.290 nan 0.000 0.527 235 N N 0.627 119.152 118.700 -0.291 0.000 2.007 235 N HA -0.135 4.605 4.740 -0.000 0.000 0.197 235 N C 2.117 177.380 175.510 -0.411 0.000 1.050 235 N CA 2.263 54.967 53.050 -0.576 0.000 0.856 235 N CB -1.056 36.864 38.487 -0.946 0.000 1.050 235 N HN 0.579 nan 8.380 nan 0.000 0.423 236 T N 1.519 115.900 114.554 -0.289 0.000 3.179 236 T HA -0.010 4.339 4.350 -0.000 0.000 0.269 236 T C 0.303 174.980 174.700 -0.038 0.000 1.187 236 T CA 0.294 62.304 62.100 -0.150 0.000 1.054 236 T CB -0.890 67.840 68.868 -0.229 0.000 0.874 236 T HN 0.332 nan 8.240 nan 0.000 0.568 237 L N -2.109 119.080 121.223 -0.058 0.000 2.849 237 L HA 0.617 4.956 4.340 -0.000 0.000 0.256 237 L C -1.247 175.612 176.870 -0.019 0.000 0.951 237 L CA -0.812 54.019 54.840 -0.015 0.000 1.003 237 L CB 1.378 43.429 42.059 -0.013 0.000 1.408 237 L HN -0.276 nan 8.230 nan 0.000 0.463 238 S N 1.710 117.401 115.700 -0.016 0.000 2.779 238 S HA 0.321 4.791 4.470 -0.000 0.000 0.293 238 S C -0.594 174.013 174.600 0.012 0.000 1.150 238 S CA -0.567 57.634 58.200 0.002 0.000 1.057 238 S CB 1.673 64.853 63.200 -0.033 0.000 1.021 238 S HN 0.814 nan 8.310 nan 0.000 0.485 242 I N -4.324 116.302 120.570 0.092 0.000 4.655 242 I HA 0.488 4.657 4.170 -0.000 0.000 0.333 242 I C -0.182 175.813 176.117 -0.204 0.000 1.312 242 I CA -0.246 61.006 61.300 -0.080 0.000 1.270 242 I CB 0.284 38.078 38.000 -0.344 0.000 1.318 242 I HN -0.003 nan 8.210 nan 0.000 0.456 243 Y N 1.921 122.193 120.300 -0.047 0.000 2.403 243 Y HA 0.365 4.914 4.550 -0.000 0.000 0.323 243 Y C 1.080 176.966 175.900 -0.023 0.000 1.226 243 Y CA -0.467 57.603 58.100 -0.050 0.000 1.235 243 Y CB 0.924 39.340 38.460 -0.074 0.000 1.248 243 Y HN -0.021 nan 8.280 nan 0.000 0.489 244 D N -0.018 120.456 120.400 0.123 0.000 2.346 244 D HA 0.096 4.736 4.640 -0.000 0.000 0.206 244 D C -0.249 176.079 176.300 0.047 0.000 1.001 244 D CA 0.290 54.330 54.000 0.066 0.000 0.871 244 D CB 0.457 41.280 40.800 0.039 0.000 0.943 244 D HN 0.626 nan 8.370 nan 0.000 0.518 245 R N -2.080 118.450 120.500 0.049 0.000 2.825 245 R HA 0.416 4.756 4.340 -0.000 0.000 0.274 245 R C -2.230 174.043 176.300 -0.046 0.000 1.026 245 R CA -1.052 55.042 56.100 -0.010 0.000 0.867 245 R CB 0.940 31.230 30.300 -0.017 0.000 1.268 245 R HN -0.132 nan 8.270 nan 0.000 0.491 246 V N 2.127 121.977 119.914 -0.106 0.000 2.376 246 V HA 0.343 4.462 4.120 -0.000 0.000 0.287 246 V C -0.713 175.291 176.094 -0.151 0.000 1.015 246 V CA -0.371 61.831 62.300 -0.164 0.000 0.834 246 V CB 1.463 33.149 31.823 -0.229 0.000 1.001 246 V HN 0.824 nan 8.190 nan 0.000 0.428 247 E N 5.575 125.691 120.200 -0.139 0.000 2.115 247 E HA 0.460 4.810 4.350 -0.000 0.000 0.282 247 E C -0.792 175.709 176.600 -0.164 0.000 0.987 247 E CA -0.574 55.746 56.400 -0.134 0.000 0.797 247 E CB 2.163 31.799 29.700 -0.108 0.000 1.086 247 E HN 0.418 nan 8.360 nan 0.000 0.397 248 V N 5.389 125.200 119.914 -0.171 0.000 2.383 248 V HA 0.216 4.336 4.120 -0.000 0.000 0.275 248 V C -0.740 175.252 176.094 -0.170 0.000 1.036 248 V CA -0.855 61.330 62.300 -0.192 0.000 0.889 248 V CB 1.136 32.834 31.823 -0.208 0.000 0.985 248 V HN 0.692 nan 8.190 nan 0.000 0.459 249 L N 8.356 129.472 121.223 -0.177 0.000 2.314 249 L HA 0.489 4.829 4.340 -0.000 0.000 0.275 249 L C 0.268 177.040 176.870 -0.163 0.000 1.068 249 L CA 0.115 54.856 54.840 -0.165 0.000 0.894 249 L CB 0.289 42.242 42.059 -0.175 0.000 1.275 249 L HN 0.610 nan 8.230 nan 0.000 0.432 250 K N 3.524 123.831 120.400 -0.156 0.000 2.237 250 K HA 0.676 4.995 4.320 -0.000 0.000 0.270 250 K C 0.671 177.183 176.600 -0.148 0.000 1.015 250 K CA 0.251 56.435 56.287 -0.171 0.000 0.949 250 K CB 0.894 33.271 32.500 -0.205 0.000 0.976 250 K HN 0.822 nan 8.250 nan 0.000 0.472 251 G N 0.921 109.630 108.800 -0.152 0.000 2.433 251 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.211 251 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.211 251 G C -1.339 173.501 174.900 -0.100 0.000 1.214 251 G CA -0.274 44.762 45.100 -0.108 0.000 1.271 251 G HN 0.808 nan 8.290 nan 0.000 0.503 252 A N -0.634 122.113 122.820 -0.121 0.000 2.605 252 A HA 0.738 5.057 4.320 -0.000 0.000 0.293 252 A C 0.553 178.029 177.584 -0.181 0.000 1.216 252 A CA 1.376 53.320 52.037 -0.154 0.000 0.742 252 A CB 1.250 20.131 19.000 -0.199 0.000 1.170 252 A HN 1.625 nan 8.150 nan 0.000 0.443 253 T N 1.662 116.108 114.554 -0.180 0.000 3.007 253 T HA -0.021 4.328 4.350 -0.000 0.000 0.270 253 T C 2.083 176.643 174.700 -0.233 0.000 1.107 253 T CA 2.286 64.260 62.100 -0.210 0.000 1.118 253 T CB -0.410 68.347 68.868 -0.184 0.000 0.889 253 T HN 1.133 nan 8.240 nan 0.000 0.506 254 G N 2.016 110.691 108.800 -0.209 0.000 2.785 254 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.225 254 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.225 254 G C 1.372 176.114 174.900 -0.264 0.000 1.093 254 G CA 1.524 46.492 45.100 -0.219 0.000 0.740 254 G HN 0.559 nan 8.290 nan 0.000 0.629 255 L N 0.143 121.166 121.223 -0.333 0.000 1.990 255 L HA -0.057 4.283 4.340 -0.000 0.000 0.213 255 L C 2.726 179.349 176.870 -0.411 0.000 1.072 255 L CA 1.846 56.449 54.840 -0.395 0.000 0.755 255 L CB -0.493 41.205 42.059 -0.602 0.000 0.889 255 L HN 0.317 nan 8.230 nan 0.000 0.432 256 L N -1.443 119.527 121.223 -0.421 0.000 2.121 256 L HA 0.047 4.386 4.340 -0.000 0.000 0.200 256 L C 1.332 178.049 176.870 -0.255 0.000 1.077 256 L CA 0.868 55.448 54.840 -0.434 0.000 0.766 256 L CB -0.859 40.963 42.059 -0.395 0.000 0.931 256 L HN 0.390 nan 8.230 nan 0.000 0.452 257 T N -0.744 113.701 114.554 -0.183 0.000 2.904 257 T HA 0.396 4.746 4.350 -0.000 0.000 0.290 257 T C 0.781 175.449 174.700 -0.054 0.000 1.018 257 T CA -0.127 61.917 62.100 -0.092 0.000 1.075 257 T CB 1.875 70.699 68.868 -0.073 0.000 0.986 257 T HN 0.238 nan 8.240 nan 0.000 0.523 258 G N 1.845 110.648 108.800 0.004 0.000 3.078 258 G HA2 0.495 4.455 3.960 -0.000 0.000 0.163 258 G HA3 0.495 4.455 3.960 -0.000 0.000 0.163 258 G C 0.649 175.661 174.900 0.185 0.000 1.894 258 G CA -0.104 45.044 45.100 0.081 0.000 0.951 258 G HN 1.213 nan 8.290 nan 0.000 0.446 259 A N -1.190 121.785 122.820 0.257 0.000 2.507 259 A HA 0.577 4.897 4.320 -0.000 0.000 0.235 259 A C 0.740 178.418 177.584 0.156 0.000 1.070 259 A CA 1.094 53.302 52.037 0.286 0.000 0.768 259 A CB -0.177 18.987 19.000 0.274 0.000 1.011 259 A HN 1.949 nan 8.150 nan 0.000 0.502 260 G N -0.753 108.114 108.800 0.112 0.000 2.450 260 G HA2 0.544 4.504 3.960 -0.000 0.000 0.273 260 G HA3 0.544 4.504 3.960 -0.000 0.000 0.273 260 G C -0.923 173.958 174.900 -0.033 0.000 1.221 260 G CA 0.247 45.364 45.100 0.028 0.000 0.900 260 G HN 1.270 nan 8.290 nan 0.000 0.483 261 S N -0.612 115.041 115.700 -0.077 0.000 2.548 261 S HA 0.662 5.132 4.470 -0.000 0.000 0.286 261 S C -0.310 174.179 174.600 -0.186 0.000 1.098 261 S CA -0.622 57.489 58.200 -0.149 0.000 0.930 261 S CB 1.669 64.788 63.200 -0.135 0.000 1.070 261 S HN 0.627 nan 8.310 nan 0.000 0.480 262 L N 2.025 123.049 121.223 -0.332 0.000 2.461 262 L HA 0.511 4.851 4.340 -0.000 0.000 0.272 262 L C 1.447 178.281 176.870 -0.061 0.000 1.197 262 L CA 0.782 55.441 54.840 -0.301 0.000 0.836 262 L CB -0.102 41.511 42.059 -0.743 0.000 1.105 262 L HN 1.105 nan 8.230 nan 0.000 0.477 263 G N 1.510 110.365 108.800 0.090 0.000 2.134 263 G HA2 0.092 4.052 3.960 -0.000 0.000 0.225 263 G HA3 0.092 4.052 3.960 -0.000 0.000 0.225 263 G C -0.528 174.333 174.900 -0.064 0.000 1.944 263 G CA 0.197 45.351 45.100 0.090 0.000 1.512 263 G HN 1.140 nan 8.290 nan 0.000 0.493 264 A N -1.270 121.492 122.820 -0.098 0.000 2.610 264 A HA 0.822 5.141 4.320 -0.000 0.000 0.291 264 A C -0.782 176.689 177.584 -0.189 0.000 1.086 264 A CA 0.743 52.689 52.037 -0.152 0.000 0.677 264 A CB 1.425 20.323 19.000 -0.169 0.000 1.278 264 A HN 1.282 nan 8.150 nan 0.000 0.414 265 T N 2.577 117.004 114.554 -0.211 0.000 2.815 265 T HA 0.457 4.807 4.350 -0.000 0.000 0.289 265 T C 0.180 174.709 174.700 -0.285 0.000 1.000 265 T CA -0.308 61.645 62.100 -0.245 0.000 0.958 265 T CB 0.249 69.002 68.868 -0.192 0.000 0.944 265 T HN 0.462 nan 8.240 nan 0.000 0.442 266 I N 3.180 123.500 120.570 -0.417 0.000 2.938 266 I HA 0.230 4.400 4.170 -0.000 0.000 0.285 266 I C 0.736 176.680 176.117 -0.288 0.000 1.182 266 I CA -0.093 60.962 61.300 -0.407 0.000 1.388 266 I CB 0.216 37.845 38.000 -0.619 0.000 1.390 266 I HN 0.659 nan 8.210 nan 0.000 0.600 267 N N 3.737 122.291 118.700 -0.243 0.000 2.827 267 N HA 0.320 5.059 4.740 -0.000 0.000 0.240 267 N C -1.049 174.354 175.510 -0.177 0.000 1.352 267 N CA -0.287 52.653 53.050 -0.184 0.000 0.760 267 N CB 0.397 38.799 38.487 -0.142 0.000 1.426 267 N HN 0.431 nan 8.380 nan 0.000 0.561 268 L N 1.659 122.730 121.223 -0.253 0.000 2.473 268 L HA 0.444 4.783 4.340 -0.000 0.000 0.268 268 L C 0.213 177.122 176.870 0.064 0.000 1.215 268 L CA -0.054 54.648 54.840 -0.229 0.000 0.823 268 L CB 0.466 42.153 42.059 -0.619 0.000 1.099 268 L HN 0.371 nan 8.230 nan 0.000 0.483 269 I N 1.075 121.795 120.570 0.251 0.000 2.548 269 I HA 0.311 4.480 4.170 -0.000 0.000 0.287 269 I C -0.411 175.800 176.117 0.157 0.000 1.103 269 I CA -0.682 60.720 61.300 0.171 0.000 1.049 269 I CB 1.912 39.947 38.000 0.058 0.000 1.232 269 I HN 0.624 nan 8.210 nan 0.000 0.429 270 R N 4.179 124.658 120.500 -0.034 0.000 2.679 270 R HA 0.311 4.650 4.340 -0.000 0.000 0.269 270 R C -0.258 176.009 176.300 -0.054 0.000 1.076 270 R CA -0.681 55.276 56.100 -0.238 0.000 1.160 270 R CB 0.613 30.724 30.300 -0.315 0.000 1.054 270 R HN 0.405 nan 8.270 nan 0.000 0.507 271 K N 2.500 122.897 120.400 -0.004 0.000 2.378 271 K HA 0.063 4.383 4.320 -0.000 0.000 0.288 271 K C -0.217 176.444 176.600 0.102 0.000 1.057 271 K CA 0.031 56.362 56.287 0.074 0.000 0.971 271 K CB 0.551 33.120 32.500 0.115 0.000 0.975 271 K HN 0.170 nan 8.250 nan 0.000 0.475 272 K N 4.365 124.783 120.400 0.030 0.000 2.156 272 K HA 0.278 4.598 4.320 -0.000 0.000 0.271 272 K C -2.179 174.395 176.600 -0.042 0.000 0.995 272 K CA -2.077 54.209 56.287 -0.002 0.000 0.890 272 K CB 1.027 33.510 32.500 -0.029 0.000 1.073 272 K HN 0.460 nan 8.250 nan 0.000 0.454 273 P HA -0.098 nan 4.420 nan 0.000 0.266 273 P C -0.122 177.091 177.300 -0.146 0.000 1.186 273 P CA 0.159 63.189 63.100 -0.116 0.000 0.767 273 P CB 0.423 32.041 31.700 -0.136 0.000 0.820 274 T N 1.371 115.843 114.554 -0.136 0.000 2.837 274 T HA 0.142 4.492 4.350 -0.000 0.000 0.285 274 T C 1.426 176.074 174.700 -0.088 0.000 0.984 274 T CA -0.358 61.672 62.100 -0.117 0.000 1.049 274 T CB 0.137 68.943 68.868 -0.103 0.000 0.947 274 T HN 0.309 nan 8.240 nan 0.000 0.472 275 H N 2.696 121.752 119.070 -0.023 0.000 2.254 275 H HA -0.007 4.549 4.556 -0.000 0.000 0.294 275 H C 1.026 176.362 175.328 0.015 0.000 1.071 275 H CA 1.604 57.649 56.048 -0.005 0.000 1.228 275 H CB -0.036 29.725 29.762 -0.002 0.000 1.358 275 H HN 0.720 nan 8.280 nan 0.000 0.495 276 E N -0.186 120.112 120.200 0.163 0.000 2.369 276 E HA 0.078 4.428 4.350 -0.000 0.000 0.255 276 E C -0.321 176.351 176.600 0.121 0.000 1.172 276 E CA -0.515 55.962 56.400 0.128 0.000 0.932 276 E CB 0.605 30.364 29.700 0.098 0.000 1.040 276 E HN -0.047 nan 8.360 nan 0.000 0.454 277 F N 1.992 121.951 119.950 0.016 0.000 2.440 277 F HA 0.301 4.828 4.527 -0.000 0.000 0.323 277 F C -0.032 175.755 175.800 -0.022 0.000 1.192 277 F CA 0.520 58.519 58.000 -0.002 0.000 1.252 277 F CB 0.533 39.539 39.000 0.010 0.000 1.214 277 F HN 0.328 nan 8.300 nan 0.000 0.578 278 K N 1.898 121.390 120.400 -1.513 0.000 2.740 278 K HA 0.518 4.838 4.320 -0.000 0.000 0.279 278 K C -1.271 174.658 176.600 -1.119 0.000 1.038 278 K CA -0.174 55.486 56.287 -1.045 0.000 0.887 278 K CB 0.959 33.170 32.500 -0.481 0.000 1.411 278 K HN 1.116 nan 8.250 nan 0.000 0.381 279 G N 1.843 110.153 108.800 -0.817 0.000 2.321 279 G HA2 0.516 4.476 3.960 -0.000 0.000 0.296 279 G HA3 0.516 4.476 3.960 -0.000 0.000 0.296 279 G C -1.961 172.641 174.900 -0.497 0.000 1.287 279 G CA -0.146 44.636 45.100 -0.530 0.000 0.846 279 G HN 1.052 nan 8.290 nan 0.000 0.508 280 H N -3.187 115.725 119.070 -0.262 0.000 2.895 280 H HA 0.565 5.121 4.556 -0.000 0.000 0.258 280 H C -2.437 172.983 175.328 0.154 0.000 1.423 280 H CA -0.228 55.808 56.048 -0.021 0.000 1.235 280 H CB 1.002 30.603 29.762 -0.267 0.000 1.818 280 H HN 1.471 nan 8.280 nan 0.000 0.457 281 V N 0.820 120.982 119.914 0.413 0.000 2.612 281 V HA 0.359 4.479 4.120 -0.000 0.000 0.301 281 V C -0.794 175.496 176.094 0.326 0.000 1.059 281 V CA -0.318 62.147 62.300 0.275 0.000 0.886 281 V CB 1.542 33.516 31.823 0.252 0.000 1.007 281 V HN 0.842 nan 8.190 nan 0.000 0.426 282 E N 5.653 126.020 120.200 0.278 0.000 2.183 282 E HA 0.630 4.980 4.350 -0.000 0.000 0.271 282 E C -1.203 175.504 176.600 0.178 0.000 0.919 282 E CA -0.560 55.980 56.400 0.234 0.000 0.781 282 E CB 2.027 31.867 29.700 0.232 0.000 1.140 282 E HN 0.728 nan 8.360 nan 0.000 0.402 283 L N 1.853 123.166 121.223 0.151 0.000 2.793 283 L HA 0.798 5.138 4.340 -0.000 0.000 0.242 283 L C 0.235 177.184 176.870 0.132 0.000 1.315 283 L CA -0.406 54.511 54.840 0.127 0.000 1.263 283 L CB 1.402 43.515 42.059 0.090 0.000 2.076 283 L HN 0.793 nan 8.230 nan 0.000 0.575 284 G N -0.277 108.600 108.800 0.129 0.000 2.634 284 G HA2 0.434 4.394 3.960 -0.000 0.000 0.568 284 G HA3 0.434 4.394 3.960 -0.000 0.000 0.568 284 G C -1.666 173.360 174.900 0.211 0.000 1.495 284 G CA -0.258 44.938 45.100 0.160 0.000 0.903 284 G HN 0.745 nan 8.290 nan 0.000 0.646 285 A N 0.762 123.733 122.820 0.251 0.000 2.393 285 A HA 1.044 5.364 4.320 -0.000 0.000 0.306 285 A C 0.583 178.315 177.584 0.247 0.000 1.050 285 A CA 0.433 52.676 52.037 0.344 0.000 0.724 285 A CB 1.766 21.071 19.000 0.509 0.000 1.248 285 A HN 2.239 nan 8.150 nan 0.000 0.424 286 G N -0.010 108.882 108.800 0.154 0.000 3.107 286 G HA2 0.565 4.524 3.960 -0.000 0.000 0.232 286 G HA3 0.565 4.524 3.960 -0.000 0.000 0.232 286 G C -0.039 174.836 174.900 -0.041 0.000 1.339 286 G CA -0.366 44.776 45.100 0.071 0.000 1.033 286 G HN 0.799 nan 8.290 nan 0.000 0.567 287 S N -0.578 115.008 115.700 -0.190 0.000 2.593 287 S HA 0.279 4.749 4.470 -0.000 0.000 0.269 287 S C -0.398 174.047 174.600 -0.258 0.000 1.334 287 S CA 0.153 58.064 58.200 -0.481 0.000 1.015 287 S CB 0.039 62.551 63.200 -1.146 0.000 0.912 287 S HN 0.551 nan 8.310 nan 0.000 0.541 288 W N 1.107 122.403 121.300 -0.007 0.000 5.563 288 W HA -0.174 4.486 4.660 -0.000 0.000 0.396 288 W C -0.290 176.137 176.519 -0.153 0.000 1.519 288 W CA 0.532 57.860 57.345 -0.029 0.000 0.953 288 W CB -3.087 26.417 29.460 0.073 0.000 2.691 288 W HN 0.986 nan 8.180 nan 0.000 1.444 289 D N -0.990 119.303 120.400 -0.178 0.000 2.689 289 D HA -0.228 4.412 4.640 -0.000 0.000 0.237 289 D C 0.086 176.080 176.300 -0.511 0.000 1.148 289 D CA 1.213 54.899 54.000 -0.523 0.000 0.656 289 D CB -1.194 39.223 40.800 -0.639 0.000 1.050 289 D HN 0.264 nan 8.370 nan 0.000 0.426 290 N N 0.889 119.391 118.700 -0.329 0.000 2.439 290 N HA 0.231 4.970 4.740 -0.000 0.000 0.249 290 N C -1.294 174.176 175.510 -0.066 0.000 1.003 290 N CA -0.098 52.894 53.050 -0.097 0.000 0.942 290 N CB 0.350 38.871 38.487 0.057 0.000 1.115 290 N HN 0.052 nan 8.380 nan 0.000 0.505 291 Y N 1.695 122.062 120.300 0.112 0.000 2.425 291 Y HA 0.514 5.064 4.550 -0.000 0.000 0.344 291 Y C 0.537 176.507 175.900 0.117 0.000 0.969 291 Y CA -0.956 57.203 58.100 0.099 0.000 1.052 291 Y CB 1.569 40.077 38.460 0.080 0.000 1.215 291 Y HN 0.412 nan 8.280 nan 0.000 0.451 292 R N 1.001 121.671 120.500 0.283 0.000 2.781 292 R HA 0.885 5.225 4.340 -0.000 0.000 0.269 292 R C -1.658 174.759 176.300 0.196 0.000 1.025 292 R CA -0.703 55.529 56.100 0.219 0.000 0.914 292 R CB 1.985 32.392 30.300 0.178 0.000 1.236 292 R HN 0.794 nan 8.270 nan 0.000 0.465 293 S N 0.293 116.111 115.700 0.196 0.000 2.602 293 S HA 0.245 4.715 4.470 -0.000 0.000 0.301 293 S C -1.243 173.464 174.600 0.178 0.000 1.091 293 S CA -1.091 57.222 58.200 0.189 0.000 0.895 293 S CB 1.041 64.360 63.200 0.198 0.000 1.090 293 S HN 0.763 nan 8.310 nan 0.000 0.449 294 E N 1.907 122.193 120.200 0.144 0.000 2.412 294 E HA 0.882 5.232 4.350 -0.000 0.000 0.255 294 E C -1.477 175.170 176.600 0.079 0.000 0.933 294 E CA -1.351 55.103 56.400 0.090 0.000 0.823 294 E CB 1.542 31.284 29.700 0.070 0.000 1.352 294 E HN 0.656 nan 8.360 nan 0.000 0.406 295 L N 1.496 122.721 121.223 0.003 0.000 2.661 295 L HA 0.377 4.717 4.340 -0.000 0.000 0.263 295 L C -2.214 174.557 176.870 -0.166 0.000 0.956 295 L CA -0.209 54.599 54.840 -0.053 0.000 0.918 295 L CB 1.961 44.049 42.059 0.049 0.000 1.280 295 L HN 0.726 nan 8.230 nan 0.000 0.416 296 D N 3.556 123.701 120.400 -0.425 0.000 2.308 296 D HA 0.705 5.345 4.640 -0.000 0.000 0.242 296 D C -1.516 174.592 176.300 -0.319 0.000 1.059 296 D CA -0.129 53.632 54.000 -0.399 0.000 0.830 296 D CB 1.933 42.384 40.800 -0.581 0.000 1.161 296 D HN 0.298 nan 8.370 nan 0.000 0.494 297 V N 2.948 122.750 119.914 -0.188 0.000 2.612 297 V HA 0.621 4.741 4.120 -0.000 0.000 0.301 297 V C -0.498 175.511 176.094 -0.143 0.000 1.059 297 V CA -0.675 61.539 62.300 -0.144 0.000 0.886 297 V CB 1.442 33.266 31.823 0.001 0.000 1.007 297 V HN 0.604 nan 8.190 nan 0.000 0.426 298 S N 2.787 118.340 115.700 -0.246 0.000 2.618 298 S HA 1.009 5.479 4.470 -0.000 0.000 0.277 298 S C -0.267 174.251 174.600 -0.137 0.000 1.138 298 S CA 0.401 58.496 58.200 -0.175 0.000 0.844 298 S CB 2.163 65.251 63.200 -0.186 0.000 1.127 298 S HN 1.781 nan 8.310 nan 0.000 0.474 299 G N 1.860 110.647 108.800 -0.022 0.000 2.351 299 G HA2 0.382 4.342 3.960 -0.000 0.000 0.279 299 G HA3 0.382 4.342 3.960 -0.000 0.000 0.279 299 G C -3.679 171.250 174.900 0.048 0.000 1.297 299 G CA -0.584 44.567 45.100 0.086 0.000 0.886 299 G HN 0.644 nan 8.290 nan 0.000 0.493 300 P HA 0.635 nan 4.420 nan 0.000 0.285 300 P C 0.176 177.488 177.300 0.019 0.000 1.269 300 P CA -0.532 62.587 63.100 0.032 0.000 0.844 300 P CB 1.391 33.126 31.700 0.059 0.000 1.094 301 L N -0.225 120.991 121.223 -0.011 0.000 2.966 301 L HA 0.298 4.638 4.340 -0.000 0.000 0.262 301 L C 0.183 177.049 176.870 -0.006 0.000 1.165 301 L CA 0.101 54.933 54.840 -0.014 0.000 0.978 301 L CB 0.403 42.439 42.059 -0.038 0.000 1.337 301 L HN 0.465 nan 8.230 nan 0.000 0.563 302 T N -5.422 109.133 114.554 0.002 0.000 3.193 302 T HA 0.241 4.591 4.350 -0.000 0.000 0.332 302 T C 0.608 175.318 174.700 0.016 0.000 1.208 302 T CA -0.723 61.383 62.100 0.010 0.000 1.080 302 T CB 2.064 70.942 68.868 0.017 0.000 1.180 302 T HN -0.078 nan 8.240 nan 0.000 0.469 303 E N 2.101 122.309 120.200 0.014 0.000 2.239 303 E HA -0.337 4.013 4.350 -0.000 0.000 0.240 303 E C 2.392 179.005 176.600 0.022 0.000 1.079 303 E CA 2.654 59.063 56.400 0.015 0.000 0.991 303 E CB -0.918 28.789 29.700 0.011 0.000 0.863 303 E HN 0.936 nan 8.360 nan 0.000 0.491 304 S N -0.766 114.948 115.700 0.023 0.000 2.365 304 S HA -0.144 4.326 4.470 -0.000 0.000 0.225 304 S C 1.839 176.463 174.600 0.040 0.000 1.039 304 S CA 2.170 60.387 58.200 0.027 0.000 1.033 304 S CB -0.480 62.736 63.200 0.028 0.000 0.887 304 S HN 0.651 nan 8.310 nan 0.000 0.447 305 G N 1.071 109.896 108.800 0.042 0.000 2.184 305 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.206 305 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.206 305 G C 0.654 175.580 174.900 0.044 0.000 0.995 305 G CA 0.251 45.385 45.100 0.056 0.000 0.651 305 G HN 0.403 nan 8.290 nan 0.000 0.511 306 N N -0.397 118.328 118.700 0.041 0.000 2.322 306 N HA -0.076 4.664 4.740 -0.000 0.000 0.189 306 N C 0.638 176.161 175.510 0.022 0.000 1.012 306 N CA 1.805 54.885 53.050 0.050 0.000 0.880 306 N CB 0.264 38.791 38.487 0.066 0.000 0.967 306 N HN 0.677 nan 8.380 nan 0.000 0.439 307 V N 0.761 120.656 119.914 -0.032 0.000 2.525 307 V HA 0.412 4.532 4.120 -0.000 0.000 0.299 307 V C -1.042 174.952 176.094 -0.167 0.000 1.034 307 V CA -0.744 61.453 62.300 -0.171 0.000 0.863 307 V CB 1.616 33.321 31.823 -0.196 0.000 0.999 307 V HN -0.018 nan 8.190 nan 0.000 0.423 308 R N 4.077 124.444 120.500 -0.221 0.000 2.670 308 R HA 0.863 5.203 4.340 -0.000 0.000 0.289 308 R C -0.183 175.995 176.300 -0.203 0.000 0.965 308 R CA -0.275 55.721 56.100 -0.174 0.000 0.899 308 R CB 2.287 32.478 30.300 -0.182 0.000 1.173 308 R HN 0.917 nan 8.270 nan 0.000 0.456 309 G N 1.021 109.733 108.800 -0.147 0.000 2.667 309 G HA2 0.603 4.563 3.960 -0.000 0.000 0.298 309 G HA3 0.603 4.563 3.960 -0.000 0.000 0.298 309 G C -1.606 173.222 174.900 -0.120 0.000 1.377 309 G CA -0.613 44.399 45.100 -0.145 0.000 0.964 309 G HN 0.442 nan 8.290 nan 0.000 0.493 310 R N 0.253 120.662 120.500 -0.151 0.000 2.621 310 R HA 0.735 5.075 4.340 -0.000 0.000 0.284 310 R C -1.237 174.922 176.300 -0.234 0.000 0.998 310 R CA -0.591 55.411 56.100 -0.164 0.000 0.895 310 R CB 2.037 32.248 30.300 -0.149 0.000 1.195 310 R HN 0.933 nan 8.270 nan 0.000 0.450 311 A N 3.155 125.869 122.820 -0.177 0.000 2.398 311 A HA 0.684 5.004 4.320 -0.000 0.000 0.301 311 A C -1.702 175.827 177.584 -0.092 0.000 1.041 311 A CA -0.627 51.308 52.037 -0.171 0.000 0.711 311 A CB 2.127 21.064 19.000 -0.104 0.000 1.240 311 A HN 0.504 nan 8.150 nan 0.000 0.420 312 V N 0.984 120.878 119.914 -0.034 0.000 3.012 312 V HA 0.928 5.048 4.120 -0.000 0.000 0.307 312 V C -0.795 175.352 176.094 0.090 0.000 1.166 312 V CA 0.340 62.656 62.300 0.028 0.000 0.974 312 V CB 1.939 33.800 31.823 0.064 0.000 1.040 312 V HN 2.273 nan 8.190 nan 0.000 0.428 313 A N 4.330 127.177 122.820 0.046 0.000 2.574 313 A HA 1.053 5.373 4.320 -0.000 0.000 0.297 313 A C -0.796 176.705 177.584 -0.139 0.000 1.062 313 A CA -0.037 51.998 52.037 -0.003 0.000 0.686 313 A CB 1.843 20.955 19.000 0.186 0.000 1.285 313 A HN 2.320 nan 8.150 nan 0.000 0.403 314 A N 0.467 123.097 122.820 -0.318 0.000 2.515 314 A HA 0.883 5.202 4.320 -0.000 0.000 0.296 314 A C -1.864 175.445 177.584 -0.459 0.000 1.094 314 A CA -0.456 51.429 52.037 -0.254 0.000 0.718 314 A CB 1.098 20.056 19.000 -0.070 0.000 1.307 314 A HN 1.101 nan 8.150 nan 0.000 0.408 315 Y N -0.124 120.210 120.300 0.057 0.000 2.442 315 Y HA 0.685 5.235 4.550 -0.000 0.000 0.344 315 Y C -0.020 175.930 175.900 0.084 0.000 0.976 315 Y CA -0.366 57.768 58.100 0.057 0.000 1.040 315 Y CB 2.490 41.001 38.460 0.085 0.000 1.228 315 Y HN 0.764 nan 8.280 nan 0.000 0.451 316 Q N 2.693 122.636 119.800 0.239 0.000 2.263 316 Q HA 0.371 4.710 4.340 -0.000 0.000 0.262 316 Q C -2.330 173.780 176.000 0.184 0.000 0.984 316 Q CA -0.650 55.272 55.803 0.199 0.000 0.813 316 Q CB 1.861 30.689 28.738 0.151 0.000 1.299 316 Q HN 0.685 nan 8.270 nan 0.000 0.428 317 D N 3.932 124.452 120.400 0.201 0.000 2.620 317 D HA 0.380 5.020 4.640 -0.000 0.000 0.252 317 D C -1.576 174.825 176.300 0.167 0.000 1.207 317 D CA -0.252 53.856 54.000 0.179 0.000 0.884 317 D CB 1.015 41.927 40.800 0.186 0.000 1.262 317 D HN 0.599 nan 8.370 nan 0.000 0.552 318 K N 2.329 122.838 120.400 0.181 0.000 2.482 318 K HA 0.489 4.809 4.320 -0.000 0.000 0.257 318 K C -0.608 176.186 176.600 0.324 0.000 0.969 318 K CA -0.769 55.636 56.287 0.197 0.000 0.842 318 K CB 2.222 34.839 32.500 0.195 0.000 1.359 318 K HN 0.386 nan 8.250 nan 0.000 0.441 319 H N -0.253 118.889 119.070 0.119 0.000 3.507 319 H HA 0.458 5.013 4.556 -0.000 0.000 0.166 319 H C -0.419 175.016 175.328 0.178 0.000 1.583 319 H CA -0.942 55.188 56.048 0.137 0.000 1.663 319 H CB 1.653 31.471 29.762 0.093 0.000 0.934 319 H HN 0.633 nan 8.280 nan 0.000 0.872 320 S N -0.402 115.417 115.700 0.197 0.000 2.587 320 S HA 0.260 4.730 4.470 -0.000 0.000 0.269 320 S C -1.016 173.175 174.600 -0.681 0.000 1.154 320 S CA -0.875 57.213 58.200 -0.187 0.000 0.824 320 S CB 0.167 63.141 63.200 -0.376 0.000 1.118 320 S HN 0.430 nan 8.310 nan 0.000 0.462 324 H N -1.713 117.262 119.070 -0.158 0.000 3.079 324 H HA -0.296 4.259 4.556 -0.000 0.000 0.303 324 H C -0.470 174.744 175.328 -0.190 0.000 1.014 324 H CA 1.329 57.264 56.048 -0.188 0.000 1.205 324 H CB -2.701 26.919 29.762 -0.237 0.000 1.351 324 H HN 0.448 nan 8.280 nan 0.000 0.337 325 Y N 1.842 122.074 120.300 -0.114 0.000 2.327 325 Y HA 0.465 5.014 4.550 -0.000 0.000 0.336 325 Y C -0.344 175.431 175.900 -0.207 0.000 1.035 325 Y CA -1.230 56.791 58.100 -0.131 0.000 1.165 325 Y CB 1.104 39.474 38.460 -0.152 0.000 1.181 325 Y HN 0.377 nan 8.280 nan 0.000 0.494 326 E N 6.200 126.086 120.200 -0.524 0.000 2.874 326 E HA 0.174 4.524 4.350 -0.000 0.000 0.320 326 E C -1.064 175.314 176.600 -0.370 0.000 1.141 326 E CA -0.521 55.646 56.400 -0.388 0.000 0.774 326 E CB 0.985 30.275 29.700 -0.684 0.000 1.542 326 E HN 0.582 nan 8.360 nan 0.000 0.380 327 R N 2.870 123.207 120.500 -0.272 0.000 2.500 327 R HA 0.392 4.732 4.340 -0.000 0.000 0.277 327 R C -0.715 175.599 176.300 0.023 0.000 1.026 327 R CA -0.455 55.555 56.100 -0.149 0.000 1.058 327 R CB 0.781 31.083 30.300 0.003 0.000 1.078 327 R HN 0.306 nan 8.270 nan 0.000 0.509 328 K N 1.497 121.912 120.400 0.025 0.000 2.507 328 K HA 0.309 4.629 4.320 -0.000 0.000 0.251 328 K C -1.303 175.336 176.600 0.066 0.000 0.943 328 K CA -0.870 55.460 56.287 0.071 0.000 0.794 328 K CB 2.105 34.650 32.500 0.075 0.000 1.188 328 K HN 0.724 nan 8.250 nan 0.000 0.428 329 T N -1.009 113.590 114.554 0.075 0.000 2.930 329 T HA 0.696 5.046 4.350 -0.000 0.000 0.290 329 T C -0.566 174.149 174.700 0.025 0.000 1.052 329 T CA -0.703 61.418 62.100 0.034 0.000 1.017 329 T CB 1.656 70.536 68.868 0.019 0.000 1.137 329 T HN 0.514 nan 8.240 nan 0.000 0.511 330 S N 0.138 115.790 115.700 -0.080 0.000 2.533 330 S HA 0.691 5.160 4.470 -0.000 0.000 0.271 330 S C -1.504 172.836 174.600 -0.434 0.000 1.143 330 S CA -0.823 57.247 58.200 -0.217 0.000 0.891 330 S CB 1.707 64.856 63.200 -0.085 0.000 1.105 330 S HN 1.070 nan 8.310 nan 0.000 0.468 331 V N 3.502 123.074 119.914 -0.570 0.000 2.760 331 V HA 0.772 4.892 4.120 -0.000 0.000 0.309 331 V C -2.268 173.519 176.094 -0.511 0.000 1.077 331 V CA -0.394 61.627 62.300 -0.465 0.000 0.910 331 V CB 1.526 33.231 31.823 -0.196 0.000 1.008 331 V HN 0.872 nan 8.190 nan 0.000 0.424 332 Y N 5.833 126.178 120.300 0.076 0.000 2.536 332 Y HA 0.819 5.368 4.550 -0.000 0.000 0.347 332 Y C -0.716 175.306 175.900 0.203 0.000 1.000 332 Y CA -1.213 56.948 58.100 0.102 0.000 1.051 332 Y CB 2.041 40.578 38.460 0.129 0.000 1.259 332 Y HN 0.737 nan 8.280 nan 0.000 0.468 333 Y N -0.179 120.220 120.300 0.164 0.000 2.465 333 Y HA 0.665 5.215 4.550 -0.000 0.000 0.323 333 Y C -1.381 174.548 175.900 0.049 0.000 1.191 333 Y CA -1.380 56.767 58.100 0.079 0.000 1.082 333 Y CB 1.638 40.116 38.460 0.030 0.000 1.334 333 Y HN 0.746 nan 8.280 nan 0.000 0.449 334 G N 5.863 114.421 108.800 -0.404 0.000 2.707 334 G HA2 0.613 4.573 3.960 -0.000 0.000 0.299 334 G HA3 0.613 4.573 3.960 -0.000 0.000 0.299 334 G C -2.206 172.414 174.900 -0.466 0.000 1.442 334 G CA -0.741 44.084 45.100 -0.457 0.000 1.009 334 G HN 0.882 nan 8.290 nan 0.000 0.515 335 I N 1.767 122.059 120.570 -0.463 0.000 2.647 335 I HA 0.755 4.925 4.170 -0.000 0.000 0.295 335 I C -1.597 174.458 176.117 -0.102 0.000 1.078 335 I CA -1.133 60.088 61.300 -0.130 0.000 1.048 335 I CB 2.079 40.078 38.000 -0.001 0.000 1.239 335 I HN 0.326 nan 8.210 nan 0.000 0.421 336 L N 5.982 127.187 121.223 -0.031 0.000 2.415 336 L HA 0.575 4.915 4.340 -0.000 0.000 0.256 336 L C -1.037 175.741 176.870 -0.153 0.000 1.010 336 L CA -0.455 54.296 54.840 -0.149 0.000 0.826 336 L CB 2.215 44.134 42.059 -0.234 0.000 1.405 336 L HN 0.511 nan 8.230 nan 0.000 0.410 337 E N 0.771 120.789 120.200 -0.302 0.000 2.266 337 E HA 0.575 4.925 4.350 -0.000 0.000 0.268 337 E C -1.692 174.685 176.600 -0.371 0.000 0.879 337 E CA -0.463 55.809 56.400 -0.213 0.000 0.762 337 E CB 2.419 32.037 29.700 -0.136 0.000 1.199 337 E HN 0.236 nan 8.360 nan 0.000 0.422 338 F N 1.779 121.730 119.950 0.002 0.000 2.532 338 F HA 0.229 4.755 4.527 -0.000 0.000 0.365 338 F C 0.245 176.042 175.800 -0.005 0.000 1.112 338 F CA -0.789 57.212 58.000 0.001 0.000 1.082 338 F CB 1.010 40.013 39.000 0.005 0.000 1.319 338 F HN 0.244 nan 8.300 nan 0.000 0.457 339 D N 2.570 123.051 120.400 0.136 0.000 2.360 339 D HA 0.453 5.093 4.640 -0.000 0.000 0.242 339 D C 0.594 176.936 176.300 0.070 0.000 1.184 339 D CA 0.399 54.448 54.000 0.081 0.000 0.930 339 D CB 1.504 42.339 40.800 0.059 0.000 1.161 339 D HN 0.515 nan 8.370 nan 0.000 0.447 340 L N 0.792 122.030 121.223 0.024 0.000 4.729 340 L HA 0.062 4.402 4.340 -0.000 0.000 0.475 340 L C 0.200 177.048 176.870 -0.036 0.000 0.998 340 L CA -0.283 54.556 54.840 -0.001 0.000 1.787 340 L CB -0.349 41.703 42.059 -0.011 0.000 1.626 340 L HN 0.433 nan 8.230 nan 0.000 0.597 341 N N -0.997 117.680 118.700 -0.037 0.000 1.534 341 N HA -0.190 4.549 4.740 -0.000 0.000 0.178 341 N C -2.391 173.044 175.510 -0.126 0.000 0.895 341 N CA 0.512 53.527 53.050 -0.057 0.000 1.056 341 N CB -1.240 37.219 38.487 -0.048 0.000 1.374 341 N HN -0.177 nan 8.380 nan 0.000 0.513 342 P HA -0.117 nan 4.420 nan 0.000 0.220 342 P C -0.741 176.216 177.300 -0.573 0.000 1.142 342 P CA 1.436 64.343 63.100 -0.321 0.000 0.801 342 P CB -0.073 31.452 31.700 -0.291 0.000 0.764 343 D N -0.499 119.676 120.400 -0.375 0.000 2.977 343 D HA 0.003 4.643 4.640 -0.000 0.000 0.241 343 D C 0.604 176.801 176.300 -0.171 0.000 1.206 343 D CA 0.472 54.294 54.000 -0.297 0.000 0.902 343 D CB -0.531 40.182 40.800 -0.144 0.000 1.131 343 D HN 0.254 nan 8.370 nan 0.000 0.447 347 T N 1.980 116.642 114.554 0.181 0.000 2.907 347 T HA 0.759 5.109 4.350 -0.000 0.000 0.298 347 T C -0.218 174.635 174.700 0.255 0.000 1.017 347 T CA 0.609 62.816 62.100 0.178 0.000 1.118 347 T CB 0.564 69.475 68.868 0.073 0.000 0.948 347 T HN 1.283 nan 8.240 nan 0.000 0.531 348 V N 1.278 121.385 119.914 0.322 0.000 3.216 348 V HA 1.060 5.180 4.120 -0.000 0.000 0.302 348 V C -0.212 176.121 176.094 0.397 0.000 1.286 348 V CA -0.090 62.464 62.300 0.422 0.000 1.048 348 V CB 1.455 33.449 31.823 0.285 0.000 1.081 348 V HN 1.355 nan 8.190 nan 0.000 0.442 349 G N -0.215 108.678 108.800 0.154 0.000 2.316 349 G HA2 0.835 4.795 3.960 -0.000 0.000 0.296 349 G HA3 0.835 4.795 3.960 -0.000 0.000 0.296 349 G C -1.093 173.363 174.900 -0.740 0.000 1.399 349 G CA 0.148 45.149 45.100 -0.165 0.000 0.833 349 G HN 2.312 nan 8.290 nan 0.000 0.565 350 A N -0.139 122.458 122.820 -0.371 0.000 2.520 350 A HA 0.839 5.158 4.320 -0.000 0.000 0.298 350 A C -0.916 176.702 177.584 0.057 0.000 1.051 350 A CA 0.193 52.061 52.037 -0.282 0.000 0.690 350 A CB 1.870 20.777 19.000 -0.156 0.000 1.281 350 A HN 1.563 nan 8.150 nan 0.000 0.402 351 D N -0.803 119.670 120.400 0.121 0.000 2.414 351 D HA 0.694 5.333 4.640 -0.000 0.000 0.241 351 D C -0.933 175.524 176.300 0.262 0.000 1.008 351 D CA -0.573 53.577 54.000 0.251 0.000 1.001 351 D CB 1.367 42.231 40.800 0.107 0.000 1.277 351 D HN 0.826 nan 8.370 nan 0.000 0.538 352 Y N -0.447 119.910 120.300 0.095 0.000 2.262 352 Y HA 0.254 4.804 4.550 -0.000 0.000 0.317 352 Y C -2.031 173.888 175.900 0.032 0.000 1.230 352 Y CA -0.551 57.596 58.100 0.079 0.000 1.166 352 Y CB 1.074 39.603 38.460 0.115 0.000 1.254 352 Y HN 0.593 nan 8.280 nan 0.000 0.405 353 Q N 4.144 123.720 119.800 -0.374 0.000 2.309 353 Q HA 0.468 4.808 4.340 -0.000 0.000 0.264 353 Q C -1.782 173.910 176.000 -0.513 0.000 1.008 353 Q CA -0.841 54.723 55.803 -0.398 0.000 0.853 353 Q CB 1.842 30.496 28.738 -0.141 0.000 1.314 353 Q HN 0.809 nan 8.270 nan 0.000 0.448 354 D N 1.739 121.885 120.400 -0.423 0.000 2.542 354 D HA 0.268 4.907 4.640 -0.000 0.000 0.252 354 D C -1.358 174.902 176.300 -0.067 0.000 1.222 354 D CA -0.481 53.378 54.000 -0.234 0.000 0.895 354 D CB 0.874 41.510 40.800 -0.273 0.000 1.207 354 D HN 0.337 nan 8.370 nan 0.000 0.558 355 N N 2.817 121.525 118.700 0.013 0.000 2.501 355 N HA 0.186 4.926 4.740 -0.000 0.000 0.245 355 N C -1.183 174.370 175.510 0.072 0.000 0.974 355 N CA -0.468 52.606 53.050 0.040 0.000 0.941 355 N CB 1.621 40.136 38.487 0.046 0.000 1.122 355 N HN 0.411 nan 8.380 nan 0.000 0.507 356 D N 2.454 122.883 120.400 0.048 0.000 2.485 356 D HA 0.226 4.866 4.640 -0.000 0.000 0.256 356 D C -2.276 174.019 176.300 -0.010 0.000 1.141 356 D CA -1.757 52.264 54.000 0.035 0.000 0.942 356 D CB 1.087 41.900 40.800 0.022 0.000 1.003 356 D HN 0.261 nan 8.370 nan 0.000 0.507 357 P HA 0.281 nan 4.420 nan 0.000 0.276 357 P C -0.777 176.420 177.300 -0.173 0.000 1.244 357 P CA -0.574 62.437 63.100 -0.149 0.000 0.801 357 P CB 1.269 32.927 31.700 -0.069 0.000 1.006 358 K N 0.307 120.506 120.400 -0.335 0.000 2.525 358 K HA 0.470 4.790 4.320 -0.000 0.000 0.254 358 K C 0.343 176.735 176.600 -0.348 0.000 0.934 358 K CA -0.262 55.883 56.287 -0.237 0.000 0.802 358 K CB 1.843 34.249 32.500 -0.157 0.000 1.295 358 K HN 0.808 nan 8.250 nan 0.000 0.433 359 G N 1.166 109.811 108.800 -0.258 0.000 2.132 359 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.234 359 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.234 359 G C 0.054 174.881 174.900 -0.121 0.000 0.989 359 G CA 0.470 45.416 45.100 -0.258 0.000 0.676 359 G HN 0.528 nan 8.290 nan 0.000 0.522 360 S N 0.429 116.073 115.700 -0.094 0.000 2.498 360 S HA 0.563 5.033 4.470 -0.000 0.000 0.281 360 S C 1.284 175.953 174.600 0.115 0.000 1.265 360 S CA 0.853 59.129 58.200 0.128 0.000 1.071 360 S CB 0.372 63.659 63.200 0.144 0.000 0.894 360 S HN 1.534 nan 8.310 nan 0.000 0.491 361 G N 3.284 112.207 108.800 0.204 0.000 2.588 361 G HA2 0.484 4.443 3.960 -0.000 0.000 0.281 361 G HA3 0.484 4.443 3.960 -0.000 0.000 0.281 361 G C -1.344 173.771 174.900 0.357 0.000 1.236 361 G CA -0.614 44.619 45.100 0.221 0.000 0.969 361 G HN 0.752 nan 8.290 nan 0.000 0.504 362 W N -0.167 121.229 121.300 0.160 0.000 3.256 362 W HA 0.464 5.124 4.660 -0.000 0.000 0.324 362 W C 0.184 176.828 176.519 0.209 0.000 1.196 362 W CA -0.534 56.927 57.345 0.194 0.000 1.206 362 W CB 0.851 30.435 29.460 0.206 0.000 1.385 362 W HN 1.422 nan 8.180 nan 0.000 0.522 363 S N 3.238 119.111 115.700 0.288 0.000 3.407 363 S HA 0.246 4.716 4.470 -0.000 0.000 0.394 363 S C 0.361 175.086 174.600 0.209 0.000 0.801 363 S CA 1.582 59.918 58.200 0.226 0.000 1.347 363 S CB -1.800 61.239 63.200 -0.268 0.000 1.257 363 S HN 2.550 nan 8.310 nan 0.000 0.618 364 G N 2.696 111.644 108.800 0.247 0.000 2.642 364 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.231 364 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.231 364 G C 0.472 175.448 174.900 0.127 0.000 1.338 364 G CA 0.167 45.317 45.100 0.084 0.000 0.883 364 G HN 1.740 nan 8.290 nan 0.000 0.570 365 S N -0.858 114.917 115.700 0.124 0.000 2.593 365 S HA 0.555 5.025 4.470 -0.000 0.000 0.235 365 S C -0.150 174.823 174.600 0.622 0.000 1.059 365 S CA 1.197 59.607 58.200 0.350 0.000 0.953 365 S CB 0.427 63.882 63.200 0.426 0.000 0.897 365 S HN 1.581 nan 8.310 nan 0.000 0.507 366 F N 0.250 120.364 119.950 0.273 0.000 2.708 366 F HA 0.577 5.104 4.527 -0.000 0.000 0.309 366 F C -3.441 172.436 175.800 0.128 0.000 1.120 366 F CA -2.334 55.878 58.000 0.353 0.000 0.978 366 F CB 0.402 39.611 39.000 0.347 0.000 1.283 366 F HN -0.261 nan 8.300 nan 0.000 0.439 367 P HA 0.189 nan 4.420 nan 0.000 0.276 367 P C 0.745 177.953 177.300 -0.152 0.000 1.243 367 P CA -0.222 62.840 63.100 -0.063 0.000 0.768 367 P CB 1.563 33.285 31.700 0.037 0.000 0.856 368 L N 2.007 122.973 121.223 -0.428 0.000 2.127 368 L HA -0.107 4.233 4.340 -0.000 0.000 0.211 368 L C 0.616 177.173 176.870 -0.523 0.000 1.089 368 L CA 1.630 56.091 54.840 -0.632 0.000 0.757 368 L CB -0.568 40.860 42.059 -1.051 0.000 0.899 368 L HN 0.285 nan 8.230 nan 0.000 0.434 369 F N -0.497 119.423 119.950 -0.050 0.000 2.520 369 F HA 0.278 4.804 4.527 -0.000 0.000 0.322 369 F C 0.183 175.922 175.800 -0.101 0.000 1.103 369 F CA -2.280 55.688 58.000 -0.053 0.000 0.926 369 F CB 1.017 39.972 39.000 -0.074 0.000 1.154 369 F HN -0.081 nan 8.300 nan 0.000 0.453 370 D N -0.408 120.059 120.400 0.112 0.000 2.312 370 D HA 0.324 4.963 4.640 -0.000 0.000 0.248 370 D C 1.208 177.492 176.300 -0.026 0.000 1.086 370 D CA -0.144 53.840 54.000 -0.027 0.000 0.948 370 D CB 1.467 42.243 40.800 -0.039 0.000 1.162 370 D HN 0.487 nan 8.370 nan 0.000 0.446 371 S N 0.916 116.597 115.700 -0.032 0.000 2.498 371 S HA -0.449 4.021 4.470 -0.000 0.000 0.391 371 S C 1.439 175.985 174.600 -0.090 0.000 1.216 371 S CA 3.216 61.397 58.200 -0.032 0.000 1.870 371 S CB -0.612 62.602 63.200 0.023 0.000 1.585 371 S HN 0.916 nan 8.310 nan 0.000 0.491 372 Q N 0.138 119.897 119.800 -0.069 0.000 2.104 372 Q HA 0.307 4.647 4.340 -0.000 0.000 0.240 372 Q C 0.992 176.937 176.000 -0.091 0.000 0.743 372 Q CA 0.907 56.646 55.803 -0.107 0.000 0.920 372 Q CB -0.829 27.855 28.738 -0.089 0.000 1.198 372 Q HN 0.629 nan 8.270 nan 0.000 0.465 373 G N 2.274 111.052 108.800 -0.036 0.000 2.902 373 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.240 373 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.240 373 G C 0.164 175.074 174.900 0.017 0.000 1.244 373 G CA 0.364 45.462 45.100 -0.004 0.000 0.862 373 G HN 0.342 nan 8.290 nan 0.000 0.603 374 N N -0.303 118.429 118.700 0.054 0.000 2.097 374 N HA 0.059 4.799 4.740 -0.000 0.000 0.235 374 N C 1.185 176.879 175.510 0.306 0.000 1.252 374 N CA 0.349 53.469 53.050 0.118 0.000 0.944 374 N CB 0.021 38.575 38.487 0.111 0.000 1.005 374 N HN 0.366 nan 8.380 nan 0.000 0.399 375 R N 0.999 121.683 120.500 0.307 0.000 2.637 375 R HA 0.271 4.611 4.340 -0.000 0.000 0.269 375 R C -0.548 175.867 176.300 0.191 0.000 1.089 375 R CA -0.244 56.038 56.100 0.305 0.000 1.177 375 R CB -0.292 30.164 30.300 0.261 0.000 1.091 375 R HN 0.456 nan 8.270 nan 0.000 0.540 376 N N 0.864 119.656 118.700 0.153 0.000 2.372 376 N HA 0.181 4.920 4.740 -0.000 0.000 0.291 376 N C -1.220 174.365 175.510 0.125 0.000 1.024 376 N CA -0.243 52.887 53.050 0.133 0.000 0.873 376 N CB 1.507 40.082 38.487 0.147 0.000 1.206 376 N HN 0.320 nan 8.380 nan 0.000 0.486 377 D N 1.013 121.452 120.400 0.066 0.000 2.192 377 D HA 0.530 5.170 4.640 -0.000 0.000 0.246 377 D C -1.035 175.208 176.300 -0.094 0.000 1.042 377 D CA -0.234 53.779 54.000 0.022 0.000 0.847 377 D CB 2.275 43.106 40.800 0.052 0.000 1.186 377 D HN 0.103 nan 8.370 nan 0.000 0.461 378 V N 1.827 121.625 119.914 -0.194 0.000 3.023 378 V HA 0.228 4.348 4.120 -0.000 0.000 0.294 378 V C -0.530 175.491 176.094 -0.122 0.000 1.324 378 V CA -0.679 61.459 62.300 -0.271 0.000 0.979 378 V CB 2.058 33.502 31.823 -0.633 0.000 1.093 378 V HN 0.759 nan 8.190 nan 0.000 0.434 379 S N 5.328 121.002 115.700 -0.043 0.000 2.558 379 S HA -0.038 4.432 4.470 -0.000 0.000 0.297 379 S C 1.037 175.680 174.600 0.073 0.000 1.283 379 S CA 0.730 58.934 58.200 0.006 0.000 1.044 379 S CB 0.040 63.272 63.200 0.053 0.000 0.789 379 S HN 0.871 nan 8.310 nan 0.000 0.500 380 R N 1.221 121.668 120.500 -0.088 0.000 2.249 380 R HA -0.066 4.274 4.340 -0.000 0.000 0.230 380 R C 1.451 177.952 176.300 0.335 0.000 1.121 380 R CA 1.332 57.347 56.100 -0.141 0.000 0.997 380 R CB -0.366 29.675 30.300 -0.432 0.000 0.867 380 R HN 0.871 nan 8.270 nan 0.000 0.465 381 S N -0.627 115.221 115.700 0.246 0.000 2.562 381 S HA 0.158 4.628 4.470 -0.000 0.000 0.246 381 S C -0.157 174.536 174.600 0.156 0.000 1.056 381 S CA -0.921 57.408 58.200 0.216 0.000 1.042 381 S CB -0.150 63.109 63.200 0.098 0.000 0.822 381 S HN 0.129 nan 8.310 nan 0.000 0.465 382 F N 2.657 122.665 119.950 0.095 0.000 2.378 382 F HA 0.660 5.187 4.527 -0.000 0.000 0.319 382 F C 0.074 175.988 175.800 0.189 0.000 1.155 382 F CA -0.526 57.538 58.000 0.107 0.000 1.157 382 F CB 0.906 39.947 39.000 0.068 0.000 1.252 382 F HN 0.298 nan 8.300 nan 0.000 0.550 383 N N 2.287 120.752 118.700 -0.392 0.000 2.664 383 N HA 0.114 4.854 4.740 -0.000 0.000 0.268 383 N C -0.308 175.225 175.510 0.039 0.000 1.222 383 N CA -0.491 52.544 53.050 -0.024 0.000 0.805 383 N CB 0.198 38.761 38.487 0.127 0.000 1.399 383 N HN 0.577 nan 8.380 nan 0.000 0.547 384 N N 0.746 119.594 118.700 0.246 0.000 2.493 384 N HA -0.113 4.627 4.740 -0.000 0.000 0.191 384 N C 0.951 176.702 175.510 0.401 0.000 1.041 384 N CA 1.064 54.367 53.050 0.421 0.000 0.904 384 N CB -0.148 38.594 38.487 0.425 0.000 0.948 384 N HN 0.463 nan 8.380 nan 0.000 0.446 385 G N -0.842 108.069 108.800 0.186 0.000 2.664 385 G HA2 0.442 4.401 3.960 -0.000 0.000 0.242 385 G HA3 0.442 4.401 3.960 -0.000 0.000 0.242 385 G C -0.530 174.188 174.900 -0.303 0.000 1.225 385 G CA -0.106 44.990 45.100 -0.008 0.000 0.849 385 G HN 0.489 nan 8.290 nan 0.000 0.581 386 A N 0.589 123.109 122.820 -0.501 0.000 2.276 386 A HA 0.483 4.803 4.320 -0.000 0.000 0.316 386 A C 1.375 178.378 177.584 -0.967 0.000 1.229 386 A CA -0.558 50.962 52.037 -0.862 0.000 0.851 386 A CB 0.876 19.020 19.000 -1.427 0.000 1.165 386 A HN 0.747 nan 8.150 nan 0.000 0.513 387 K N 2.036 121.940 120.400 -0.826 0.000 2.097 387 K HA -0.220 4.100 4.320 -0.000 0.000 0.214 387 K C 1.405 177.801 176.600 -0.340 0.000 1.052 387 K CA 2.551 58.517 56.287 -0.536 0.000 0.932 387 K CB -0.199 32.136 32.500 -0.275 0.000 0.716 387 K HN 1.016 nan 8.250 nan 0.000 0.455 388 W N 0.712 121.946 121.300 -0.109 0.000 3.003 388 W HA 0.236 4.896 4.660 -0.001 0.000 0.257 388 W C 0.484 177.003 176.519 -0.001 0.000 1.308 388 W CA -0.449 56.871 57.345 -0.041 0.000 1.529 388 W CB -0.650 28.811 29.460 0.001 0.000 1.115 388 W HN -0.165 nan 8.180 nan 0.000 0.659 389 S N 2.527 117.731 115.700 -0.827 0.000 2.560 389 S HA 0.303 4.772 4.470 -0.000 0.000 0.284 389 S C 0.219 174.739 174.600 -0.133 0.000 1.327 389 S CA 0.659 58.547 58.200 -0.521 0.000 1.055 389 S CB 0.488 63.303 63.200 -0.641 0.000 0.868 389 S HN 0.336 nan 8.310 nan 0.000 0.506 390 S N 4.252 119.964 115.700 0.021 0.000 2.567 390 S HA 0.506 4.976 4.470 -0.000 0.000 0.270 390 S C -1.512 173.180 174.600 0.154 0.000 1.152 390 S CA -0.888 57.350 58.200 0.063 0.000 0.835 390 S CB 0.864 64.093 63.200 0.048 0.000 1.115 390 S HN 0.843 nan 8.310 nan 0.000 0.459 391 W N 2.852 124.141 121.300 -0.019 0.000 1.950 391 W HA 0.345 5.005 4.660 -0.000 0.000 0.289 391 W C -0.291 176.247 176.519 0.032 0.000 0.883 391 W CA -0.691 56.648 57.345 -0.011 0.000 2.031 391 W CB 0.322 29.747 29.460 -0.060 0.000 2.266 391 W HN 1.076 nan 8.180 nan 0.000 0.400 392 E N 2.626 122.999 120.200 0.289 0.000 2.498 392 E HA -0.028 4.322 4.350 -0.000 0.000 0.252 392 E C -0.543 176.237 176.600 0.300 0.000 1.025 392 E CA 0.926 57.480 56.400 0.257 0.000 0.938 392 E CB 0.668 30.480 29.700 0.188 0.000 0.947 392 E HN 0.384 nan 8.360 nan 0.000 0.478 393 Q N 3.430 123.378 119.800 0.246 0.000 2.342 393 Q HA 0.419 4.758 4.340 -0.000 0.000 0.267 393 Q C -1.355 174.677 176.000 0.054 0.000 1.038 393 Q CA -1.052 54.817 55.803 0.110 0.000 0.832 393 Q CB 1.739 30.546 28.738 0.115 0.000 1.323 393 Q HN 0.625 nan 8.270 nan 0.000 0.448 394 Y N -2.009 118.333 120.300 0.070 0.000 2.562 394 Y HA 0.815 5.364 4.550 -0.000 0.000 0.345 394 Y C -1.025 174.873 175.900 -0.005 0.000 1.045 394 Y CA -1.239 56.856 58.100 -0.008 0.000 1.028 394 Y CB 1.564 40.035 38.460 0.018 0.000 1.297 394 Y HN 0.524 nan 8.280 nan 0.000 0.463 395 T N 0.480 115.142 114.554 0.179 0.000 3.172 395 T HA 0.806 5.155 4.350 -0.000 0.000 0.320 395 T C -1.297 173.504 174.700 0.168 0.000 1.085 395 T CA -1.092 61.089 62.100 0.136 0.000 1.052 395 T CB 1.492 70.359 68.868 -0.002 0.000 1.107 395 T HN 0.986 nan 8.240 nan 0.000 0.458 396 R N 1.187 121.830 120.500 0.238 0.000 2.744 396 R HA 0.912 5.252 4.340 -0.000 0.000 0.279 396 R C -0.851 175.505 176.300 0.093 0.000 0.977 396 R CA -1.025 55.243 56.100 0.280 0.000 0.906 396 R CB 2.252 32.849 30.300 0.496 0.000 1.197 396 R HN 0.716 nan 8.270 nan 0.000 0.463 397 T N 0.363 114.954 114.554 0.062 0.000 2.889 397 T HA 0.496 4.845 4.350 -0.000 0.000 0.315 397 T C -1.663 173.006 174.700 -0.051 0.000 1.291 397 T CA -0.580 61.511 62.100 -0.015 0.000 1.028 397 T CB 1.754 70.604 68.868 -0.030 0.000 1.235 397 T HN 0.276 nan 8.240 nan 0.000 0.491 398 V N 5.187 125.082 119.914 -0.032 0.000 2.588 398 V HA 0.812 4.932 4.120 -0.000 0.000 0.304 398 V C -0.935 175.148 176.094 -0.019 0.000 1.042 398 V CA -0.779 61.449 62.300 -0.121 0.000 0.877 398 V CB 1.296 33.134 31.823 0.024 0.000 0.996 398 V HN 0.829 nan 8.190 nan 0.000 0.425 399 F N 2.025 122.055 119.950 0.133 0.000 2.593 399 F HA 1.035 5.562 4.527 -0.000 0.000 0.320 399 F C -0.205 175.664 175.800 0.114 0.000 1.060 399 F CA -2.051 56.022 58.000 0.122 0.000 0.940 399 F CB 1.744 40.815 39.000 0.118 0.000 1.268 399 F HN 0.664 nan 8.300 nan 0.000 0.475 400 A N 2.380 125.468 122.820 0.446 0.000 2.574 400 A HA 0.815 5.135 4.320 -0.000 0.000 0.297 400 A C -1.770 175.944 177.584 0.216 0.000 1.062 400 A CA -0.674 51.550 52.037 0.312 0.000 0.686 400 A CB 1.672 20.788 19.000 0.194 0.000 1.285 400 A HN 1.374 nan 8.150 nan 0.000 0.403 401 N N 0.312 119.111 118.700 0.165 0.000 3.134 401 N HA 0.439 5.178 4.740 -0.000 0.000 0.235 401 N C -1.849 173.707 175.510 0.077 0.000 1.092 401 N CA -0.637 52.473 53.050 0.100 0.000 1.038 401 N CB 0.699 39.229 38.487 0.072 0.000 1.684 401 N HN 1.016 nan 8.380 nan 0.000 0.551 402 L N -1.504 119.752 121.223 0.054 0.000 2.362 402 L HA 0.742 5.082 4.340 -0.000 0.000 0.275 402 L C 0.110 176.993 176.870 0.021 0.000 0.998 402 L CA -0.809 54.057 54.840 0.044 0.000 0.820 402 L CB 1.246 43.333 42.059 0.046 0.000 1.270 402 L HN 0.596 nan 8.230 nan 0.000 0.415 403 E N 1.467 121.676 120.200 0.014 0.000 2.222 403 E HA 0.513 4.863 4.350 -0.000 0.000 0.272 403 E C -1.056 175.565 176.600 0.035 0.000 0.982 403 E CA -0.758 55.648 56.400 0.010 0.000 0.842 403 E CB 2.006 31.711 29.700 0.009 0.000 1.144 403 E HN 0.719 nan 8.360 nan 0.000 0.397 404 H N 1.746 120.780 119.070 -0.060 0.000 2.600 404 H HA 0.301 4.856 4.556 -0.000 0.000 0.357 404 H C -1.319 173.930 175.328 -0.132 0.000 1.106 404 H CA -1.004 54.955 56.048 -0.148 0.000 1.193 404 H CB 1.506 31.101 29.762 -0.278 0.000 1.594 404 H HN 0.461 nan 8.280 nan 0.000 0.526 405 N N 5.026 123.701 118.700 -0.042 0.000 2.485 405 N HA 0.115 4.855 4.740 -0.000 0.000 0.243 405 N C -0.561 175.060 175.510 0.185 0.000 0.987 405 N CA -0.158 52.961 53.050 0.115 0.000 0.940 405 N CB 0.323 38.821 38.487 0.019 0.000 1.122 405 N HN 0.289 nan 8.380 nan 0.000 0.509 406 F N 0.642 120.817 119.950 0.376 0.000 2.380 406 F HA 0.266 4.793 4.527 -0.000 0.000 0.325 406 F C 1.705 177.635 175.800 0.217 0.000 1.136 406 F CA -0.465 57.700 58.000 0.275 0.000 1.171 406 F CB 0.805 39.902 39.000 0.161 0.000 1.230 406 F HN 0.493 nan 8.300 nan 0.000 0.554 407 A N 1.339 124.389 122.820 0.382 0.000 2.016 407 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 407 A C 1.662 179.390 177.584 0.240 0.000 1.162 407 A CA 1.185 53.371 52.037 0.248 0.000 0.662 407 A CB -1.007 18.107 19.000 0.191 0.000 0.812 407 A HN 0.848 nan 8.150 nan 0.000 0.450 408 N N -0.170 118.700 118.700 0.283 0.000 2.513 408 N HA 0.147 4.887 4.740 -0.000 0.000 0.187 408 N C 1.044 176.728 175.510 0.290 0.000 1.056 408 N CA 1.158 54.369 53.050 0.268 0.000 0.907 408 N CB -0.278 38.383 38.487 0.289 0.000 0.954 408 N HN 0.734 nan 8.380 nan 0.000 0.445 409 G N -2.324 106.656 108.800 0.300 0.000 2.135 409 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.183 409 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.183 409 G C -0.771 174.286 174.900 0.261 0.000 1.004 409 G CA -0.406 44.828 45.100 0.224 0.000 0.677 409 G HN 0.256 nan 8.290 nan 0.000 0.512 410 W N -0.327 121.086 121.300 0.188 0.000 2.706 410 W HA 0.756 5.416 4.660 -0.000 0.000 0.346 410 W C -0.680 176.019 176.519 0.300 0.000 1.071 410 W CA -0.990 56.479 57.345 0.206 0.000 1.206 410 W CB 2.140 31.690 29.460 0.151 0.000 1.413 410 W HN 0.433 nan 8.180 nan 0.000 0.542 411 V N 3.434 123.739 119.914 0.650 0.000 2.760 411 V HA 0.886 5.006 4.120 -0.000 0.000 0.309 411 V C -0.805 175.595 176.094 0.509 0.000 1.077 411 V CA -0.528 62.079 62.300 0.513 0.000 0.910 411 V CB 1.788 33.782 31.823 0.285 0.000 1.008 411 V HN 0.632 nan 8.190 nan 0.000 0.424 412 G N 4.672 113.712 108.800 0.400 0.000 2.626 412 G HA2 0.565 4.525 3.960 -0.000 0.000 0.304 412 G HA3 0.565 4.525 3.960 -0.000 0.000 0.304 412 G C -1.330 173.561 174.900 -0.015 0.000 1.385 412 G CA -0.707 44.519 45.100 0.210 0.000 0.957 412 G HN 0.920 nan 8.290 nan 0.000 0.504 413 K N 1.368 121.537 120.400 -0.385 0.000 2.164 413 K HA 0.695 5.015 4.320 -0.000 0.000 0.258 413 K C -1.256 175.148 176.600 -0.326 0.000 0.951 413 K CA -0.720 55.304 56.287 -0.437 0.000 0.844 413 K CB 2.306 34.375 32.500 -0.719 0.000 1.099 413 K HN 0.389 nan 8.250 nan 0.000 0.435 414 V N 4.902 124.746 119.914 -0.118 0.000 2.577 414 V HA 0.411 4.531 4.120 -0.000 0.000 0.303 414 V C -1.882 174.226 176.094 0.023 0.000 1.042 414 V CA -0.277 62.008 62.300 -0.025 0.000 0.872 414 V CB 1.766 33.597 31.823 0.012 0.000 0.998 414 V HN 0.983 nan 8.190 nan 0.000 0.423 415 Q N 6.533 126.372 119.800 0.065 0.000 2.331 415 Q HA 0.748 5.088 4.340 -0.000 0.000 0.272 415 Q C -1.690 174.384 176.000 0.123 0.000 1.062 415 Q CA -0.935 54.927 55.803 0.099 0.000 0.806 415 Q CB 2.777 31.579 28.738 0.107 0.000 1.312 415 Q HN 0.691 nan 8.270 nan 0.000 0.431 416 L N 1.207 122.515 121.223 0.142 0.000 2.330 416 L HA 0.714 5.054 4.340 -0.000 0.000 0.271 416 L C -0.597 176.389 176.870 0.194 0.000 1.013 416 L CA -0.866 54.065 54.840 0.152 0.000 0.816 416 L CB 1.727 43.866 42.059 0.134 0.000 1.287 416 L HN 0.788 nan 8.230 nan 0.000 0.435 417 D N 0.283 120.799 120.400 0.193 0.000 2.931 417 D HA 0.162 4.801 4.640 -0.000 0.000 0.215 417 D C -1.792 174.642 176.300 0.225 0.000 1.297 417 D CA -0.441 53.689 54.000 0.217 0.000 0.892 417 D CB 1.897 42.812 40.800 0.193 0.000 1.642 417 D HN 0.602 nan 8.370 nan 0.000 0.560 418 H N 3.134 122.265 119.070 0.102 0.000 2.646 418 H HA 0.512 5.068 4.556 -0.000 0.000 0.328 418 H C -1.269 174.095 175.328 0.061 0.000 0.998 418 H CA -0.379 55.717 56.048 0.080 0.000 1.225 418 H CB 1.133 30.934 29.762 0.066 0.000 1.457 418 H HN 0.258 nan 8.280 nan 0.000 0.505 419 K N 5.584 125.828 120.400 -0.259 0.000 2.435 419 K HA 0.529 4.849 4.320 -0.000 0.000 0.251 419 K C -1.389 175.052 176.600 -0.265 0.000 0.954 419 K CA -1.109 55.031 56.287 -0.245 0.000 0.820 419 K CB 1.701 34.109 32.500 -0.152 0.000 1.292 419 K HN 0.715 nan 8.250 nan 0.000 0.436 420 I N 0.140 120.611 120.570 -0.165 0.000 2.607 420 I HA 0.472 4.642 4.170 -0.000 0.000 0.290 420 I C -1.812 174.303 176.117 -0.003 0.000 1.129 420 I CA -0.879 60.383 61.300 -0.063 0.000 1.042 420 I CB 2.250 40.245 38.000 -0.008 0.000 1.242 420 I HN 0.451 nan 8.210 nan 0.000 0.421 421 N N 4.351 123.025 118.700 -0.044 0.000 2.626 421 N HA 0.608 5.348 4.740 -0.000 0.000 0.249 421 N C -0.195 175.190 175.510 -0.208 0.000 1.021 421 N CA -0.361 52.614 53.050 -0.125 0.000 0.886 421 N CB 2.054 40.453 38.487 -0.147 0.000 1.149 421 N HN 0.921 nan 8.380 nan 0.000 0.517 422 G N 0.689 109.146 108.800 -0.572 0.000 2.461 422 G HA2 0.562 4.522 3.960 -0.000 0.000 0.329 422 G HA3 0.562 4.522 3.960 -0.000 0.000 0.329 422 G C -1.350 173.012 174.900 -0.896 0.000 1.170 422 G CA -0.452 44.145 45.100 -0.840 0.000 0.935 422 G HN 0.456 nan 8.290 nan 0.000 0.492 423 Y N -1.028 119.037 120.300 -0.391 0.000 2.401 423 Y HA 0.554 5.104 4.550 -0.000 0.000 0.330 423 Y C -1.058 174.811 175.900 -0.053 0.000 1.071 423 Y CA -1.592 56.395 58.100 -0.189 0.000 1.049 423 Y CB 1.304 39.705 38.460 -0.098 0.000 1.239 423 Y HN 0.582 nan 8.280 nan 0.000 0.437 424 H N 4.384 123.493 119.070 0.065 0.000 2.643 424 H HA 0.725 5.281 4.556 -0.000 0.000 0.259 424 H C -1.365 173.887 175.328 -0.126 0.000 1.298 424 H CA -0.223 55.825 56.048 -0.000 0.000 1.301 424 H CB 0.666 30.469 29.762 0.068 0.000 1.422 424 H HN 0.976 nan 8.280 nan 0.000 0.521 425 A N 6.745 129.399 122.820 -0.277 0.000 2.394 425 A HA 0.347 4.667 4.320 -0.000 0.000 0.333 425 A C -2.679 174.641 177.584 -0.440 0.000 1.397 425 A CA -1.502 50.233 52.037 -0.504 0.000 0.884 425 A CB 0.651 18.873 19.000 -1.297 0.000 1.147 425 A HN 0.430 nan 8.150 nan 0.000 0.505 426 P HA 0.313 nan 4.420 nan 0.000 0.207 426 P C -0.470 176.867 177.300 0.063 0.000 1.873 426 P CA -0.123 62.761 63.100 -0.361 0.000 1.100 426 P CB 0.193 31.822 31.700 -0.119 0.000 1.831 427 L N 1.223 122.372 121.223 -0.124 0.000 2.439 427 L HA 0.630 4.969 4.340 -0.000 0.000 0.269 427 L C 1.129 178.153 176.870 0.256 0.000 1.179 427 L CA 0.043 54.828 54.840 -0.093 0.000 0.828 427 L CB 0.441 42.093 42.059 -0.678 0.000 1.106 427 L HN 0.282 nan 8.230 nan 0.000 0.467 428 G N 1.343 110.147 108.800 0.008 0.000 2.719 428 G HA2 0.689 4.649 3.960 -0.000 0.000 0.284 428 G HA3 0.689 4.649 3.960 -0.000 0.000 0.284 428 G C -1.398 173.539 174.900 0.063 0.000 1.488 428 G CA -0.038 45.086 45.100 0.041 0.000 1.139 428 G HN 0.856 nan 8.290 nan 0.000 0.552 429 A N 2.502 125.533 122.820 0.351 0.000 2.612 429 A HA 0.809 5.129 4.320 -0.000 0.000 0.293 429 A C -0.924 176.893 177.584 0.388 0.000 1.075 429 A CA -0.680 51.585 52.037 0.379 0.000 0.680 429 A CB 1.258 20.529 19.000 0.451 0.000 1.279 429 A HN 1.294 nan 8.150 nan 0.000 0.411 433 D N 0.674 120.893 120.400 -0.302 0.000 2.916 433 D HA -0.213 4.427 4.640 -0.000 0.000 0.211 433 D C 0.281 176.351 176.300 -0.383 0.000 1.260 433 D CA 1.086 54.927 54.000 -0.264 0.000 0.711 433 D CB -0.421 40.203 40.800 -0.292 0.000 0.915 433 D HN 0.755 nan 8.370 nan 0.000 0.391 434 W N -1.110 120.096 121.300 -0.156 0.000 2.975 434 W HA 0.093 4.753 4.660 -0.001 0.000 0.316 434 W C -1.168 175.125 176.519 -0.377 0.000 1.131 434 W CA -0.590 56.626 57.345 -0.214 0.000 1.624 434 W CB 0.405 29.776 29.460 -0.149 0.000 1.038 434 W HN 0.126 nan 8.180 nan 0.000 0.571 435 P HA -0.061 nan 4.420 nan 0.000 0.261 435 P C 0.415 177.643 177.300 -0.120 0.000 1.297 435 P CA 0.718 63.468 63.100 -0.583 0.000 0.757 435 P CB -0.647 30.535 31.700 -0.863 0.000 1.149 436 A N 1.698 124.566 122.820 0.079 0.000 2.412 436 A HA -0.164 4.156 4.320 -0.000 0.000 0.275 436 A C -0.361 177.255 177.584 0.054 0.000 1.184 436 A CA 0.056 52.168 52.037 0.125 0.000 1.268 436 A CB -0.754 18.375 19.000 0.216 0.000 0.838 436 A HN 0.234 nan 8.150 nan 0.000 0.375 437 P HA -0.272 nan 4.420 nan 0.000 0.219 437 P C 0.755 178.077 177.300 0.037 0.000 1.158 437 P CA 2.041 65.163 63.100 0.037 0.000 0.895 437 P CB -0.321 31.398 31.700 0.033 0.000 0.792 438 D N -1.413 119.008 120.400 0.034 0.000 2.400 438 D HA -0.088 4.551 4.640 -0.000 0.000 0.243 438 D C 0.200 176.518 176.300 0.029 0.000 1.184 438 D CA -0.411 53.605 54.000 0.027 0.000 0.853 438 D CB -1.405 39.405 40.800 0.016 0.000 0.944 438 D HN 0.094 nan 8.370 nan 0.000 0.501 439 N N 0.950 119.677 118.700 0.045 0.000 2.637 439 N HA -0.222 4.518 4.740 -0.000 0.000 0.287 439 N C -1.378 174.166 175.510 0.057 0.000 1.130 439 N CA 1.247 54.342 53.050 0.075 0.000 0.764 439 N CB -0.874 37.672 38.487 0.097 0.000 0.935 439 N HN 0.590 nan 8.380 nan 0.000 0.558 440 S N 0.110 115.815 115.700 0.009 0.000 2.578 440 S HA 0.744 5.214 4.470 -0.000 0.000 0.285 440 S C -1.270 173.190 174.600 -0.233 0.000 1.126 440 S CA -0.348 57.806 58.200 -0.077 0.000 0.878 440 S CB 1.847 64.984 63.200 -0.105 0.000 1.091 440 S HN 0.880 nan 8.310 nan 0.000 0.450 441 A N 2.346 124.944 122.820 -0.369 0.000 2.427 441 A HA 0.759 5.079 4.320 -0.000 0.000 0.298 441 A C -0.518 176.491 177.584 -0.957 0.000 1.036 441 A CA -0.951 50.612 52.037 -0.790 0.000 0.701 441 A CB 1.180 19.990 19.000 -0.316 0.000 1.250 441 A HN 0.820 nan 8.150 nan 0.000 0.412 442 K N 0.828 120.240 120.400 -1.648 0.000 2.230 442 K HA 0.540 4.860 4.320 -0.000 0.000 0.253 442 K C -0.211 176.230 176.600 -0.265 0.000 1.008 442 K CA 0.119 55.975 56.287 -0.717 0.000 0.910 442 K CB 0.739 32.992 32.500 -0.413 0.000 0.994 442 K HN 0.748 nan 8.250 nan 0.000 0.495 443 I N -1.954 118.635 120.570 0.030 0.000 2.571 443 I HA 0.287 4.456 4.170 -0.000 0.000 0.289 443 I C -0.330 175.988 176.117 0.335 0.000 1.115 443 I CA -1.368 60.064 61.300 0.219 0.000 1.045 443 I CB 1.772 39.920 38.000 0.248 0.000 1.238 443 I HN 0.346 nan 8.210 nan 0.000 0.424 444 V N 3.505 123.637 119.914 0.363 0.000 2.686 444 V HA 0.886 5.006 4.120 -0.000 0.000 0.295 444 V C 0.359 176.775 176.094 0.537 0.000 1.055 444 V CA 0.286 62.833 62.300 0.411 0.000 1.050 444 V CB 0.759 32.789 31.823 0.344 0.000 0.984 444 V HN 1.073 nan 8.190 nan 0.000 0.482 445 A N 4.223 127.379 122.820 0.560 0.000 2.386 445 A HA 0.881 5.201 4.320 -0.000 0.000 0.311 445 A C -0.531 177.458 177.584 0.676 0.000 1.068 445 A CA -0.742 51.680 52.037 0.642 0.000 0.743 445 A CB 1.867 21.176 19.000 0.516 0.000 1.258 445 A HN 0.992 nan 8.150 nan 0.000 0.429 446 Q N 0.142 120.355 119.800 0.689 0.000 2.438 446 Q HA 0.373 4.713 4.340 -0.000 0.000 0.272 446 Q C -1.445 174.533 176.000 -0.038 0.000 0.994 446 Q CA -0.556 55.526 55.803 0.464 0.000 0.887 446 Q CB 2.717 31.782 28.738 0.545 0.000 1.432 446 Q HN 0.719 nan 8.270 nan 0.000 0.392 447 K N 1.866 121.983 120.400 -0.471 0.000 2.292 447 K HA 0.597 4.917 4.320 -0.000 0.000 0.257 447 K C -1.807 174.469 176.600 -0.539 0.000 0.940 447 K CA -0.453 55.309 56.287 -0.876 0.000 0.811 447 K CB 1.022 32.347 32.500 -1.960 0.000 1.120 447 K HN 0.503 nan 8.250 nan 0.000 0.428 448 Y N 1.120 121.193 120.300 -0.379 0.000 2.346 448 Y HA 0.280 4.830 4.550 -0.000 0.000 0.332 448 Y C 0.093 176.012 175.900 0.032 0.000 0.985 448 Y CA -0.764 57.312 58.100 -0.040 0.000 1.112 448 Y CB 2.274 40.694 38.460 -0.066 0.000 1.170 448 Y HN 0.547 nan 8.280 nan 0.000 0.447 449 T N 1.222 115.882 114.554 0.176 0.000 2.893 449 T HA 0.932 5.282 4.350 -0.000 0.000 0.291 449 T C -0.422 173.941 174.700 -0.561 0.000 1.028 449 T CA -0.394 61.570 62.100 -0.227 0.000 0.995 449 T CB 1.625 70.359 68.868 -0.224 0.000 1.051 449 T HN 1.125 nan 8.240 nan 0.000 0.470 450 G N 2.032 110.120 108.800 -1.187 0.000 2.443 450 G HA2 0.468 4.428 3.960 -0.000 0.000 0.303 450 G HA3 0.468 4.428 3.960 -0.000 0.000 0.303 450 G C -1.895 172.610 174.900 -0.659 0.000 1.613 450 G CA -0.672 43.841 45.100 -0.978 0.000 0.879 450 G HN 0.858 nan 8.290 nan 0.000 0.632 451 E N -0.526 119.593 120.200 -0.136 0.000 2.336 451 E HA 0.773 5.123 4.350 -0.000 0.000 0.267 451 E C -1.281 175.383 176.600 0.107 0.000 0.906 451 E CA -0.831 55.573 56.400 0.007 0.000 0.781 451 E CB 2.562 32.332 29.700 0.117 0.000 1.261 451 E HN 0.582 nan 8.360 nan 0.000 0.436 452 T N 2.549 117.143 114.554 0.067 0.000 3.355 452 T HA 0.305 4.654 4.350 -0.000 0.000 0.324 452 T C -1.187 173.546 174.700 0.055 0.000 0.932 452 T CA -0.718 61.435 62.100 0.088 0.000 1.032 452 T CB 0.407 69.278 68.868 0.005 0.000 1.027 452 T HN 0.335 nan 8.240 nan 0.000 0.456 453 K N 2.167 122.625 120.400 0.095 0.000 2.098 453 K HA 0.732 5.051 4.320 -0.000 0.000 0.244 453 K C -0.337 176.338 176.600 0.125 0.000 1.014 453 K CA -0.835 55.507 56.287 0.092 0.000 0.917 453 K CB 1.551 34.164 32.500 0.188 0.000 1.072 453 K HN 0.521 nan 8.250 nan 0.000 0.477 454 S N 0.638 116.397 115.700 0.098 0.000 2.548 454 S HA 0.265 4.735 4.470 -0.000 0.000 0.278 454 S C -1.755 172.953 174.600 0.180 0.000 1.150 454 S CA -0.916 57.366 58.200 0.138 0.000 0.907 454 S CB 0.804 64.044 63.200 0.067 0.000 1.108 454 S HN 0.582 nan 8.310 nan 0.000 0.459 455 N N 1.797 120.639 118.700 0.238 0.000 2.370 455 N HA 0.618 5.358 4.740 -0.000 0.000 0.303 455 N C -1.453 174.168 175.510 0.185 0.000 1.103 455 N CA -0.569 52.638 53.050 0.261 0.000 0.848 455 N CB 1.995 40.678 38.487 0.326 0.000 1.235 455 N HN 0.487 nan 8.380 nan 0.000 0.496 456 S N 1.399 117.194 115.700 0.158 0.000 2.736 456 S HA 0.305 4.775 4.470 -0.000 0.000 0.285 456 S C -1.030 173.636 174.600 0.110 0.000 1.163 456 S CA -0.563 57.693 58.200 0.093 0.000 1.025 456 S CB 1.296 64.541 63.200 0.075 0.000 1.030 456 S HN 0.364 nan 8.310 nan 0.000 0.486 457 L N 3.537 124.812 121.223 0.087 0.000 2.265 457 L HA 0.643 4.983 4.340 -0.000 0.000 0.289 457 L C -1.025 175.897 176.870 0.088 0.000 1.033 457 L CA 0.141 55.041 54.840 0.100 0.000 0.814 457 L CB 0.875 43.003 42.059 0.115 0.000 1.203 457 L HN 0.540 nan 8.230 nan 0.000 0.423 458 D N 5.580 126.049 120.400 0.116 0.000 2.542 458 D HA 0.397 5.036 4.640 -0.000 0.000 0.252 458 D C -1.006 175.397 176.300 0.171 0.000 1.222 458 D CA -0.183 53.912 54.000 0.158 0.000 0.895 458 D CB 1.227 42.148 40.800 0.201 0.000 1.207 458 D HN 0.468 nan 8.370 nan 0.000 0.558 459 I N 0.946 121.606 120.570 0.150 0.000 2.569 459 I HA 0.756 4.926 4.170 -0.000 0.000 0.296 459 I C -1.380 174.861 176.117 0.206 0.000 1.028 459 I CA -1.126 60.236 61.300 0.104 0.000 1.082 459 I CB 1.973 40.000 38.000 0.046 0.000 1.264 459 I HN 0.195 nan 8.210 nan 0.000 0.429 460 Y N 3.682 124.048 120.300 0.109 0.000 2.521 460 Y HA 0.759 5.308 4.550 -0.000 0.000 0.332 460 Y C -2.268 173.740 175.900 0.180 0.000 1.121 460 Y CA -1.480 56.704 58.100 0.139 0.000 1.037 460 Y CB 1.234 39.830 38.460 0.227 0.000 1.330 460 Y HN 0.565 nan 8.280 nan 0.000 0.452 461 L N 3.703 125.171 121.223 0.408 0.000 2.341 461 L HA 0.761 5.101 4.340 -0.000 0.000 0.278 461 L C -0.401 176.890 176.870 0.701 0.000 1.005 461 L CA -0.794 54.319 54.840 0.455 0.000 0.818 461 L CB 2.325 44.484 42.059 0.166 0.000 1.259 461 L HN 0.927 nan 8.230 nan 0.000 0.418 462 T N 1.632 116.650 114.554 0.774 0.000 3.050 462 T HA 0.781 5.131 4.350 -0.000 0.000 0.310 462 T C -0.553 173.822 174.700 -0.541 0.000 0.978 462 T CA -0.257 62.018 62.100 0.293 0.000 1.013 462 T CB 1.100 70.109 68.868 0.234 0.000 1.000 462 T HN 0.888 nan 8.240 nan 0.000 0.447 463 G N 4.187 112.062 108.800 -1.542 0.000 2.506 463 G HA2 0.663 4.623 3.960 -0.000 0.000 0.292 463 G HA3 0.663 4.623 3.960 -0.000 0.000 0.292 463 G C -3.323 170.576 174.900 -1.667 0.000 1.425 463 G CA -1.052 42.817 45.100 -2.052 0.000 0.788 463 G HN 0.527 nan 8.290 nan 0.000 0.490 464 P HA 0.116 nan 4.420 nan 0.000 0.259 464 P C -1.206 176.123 177.300 0.048 0.000 1.163 464 P CA 0.454 63.422 63.100 -0.220 0.000 0.760 464 P CB 0.362 32.028 31.700 -0.057 0.000 0.762 465 F N 3.880 123.859 119.950 0.048 0.000 2.500 465 F HA 0.383 4.910 4.527 -0.000 0.000 0.349 465 F C -0.356 175.621 175.800 0.296 0.000 1.127 465 F CA -1.263 56.889 58.000 0.254 0.000 0.998 465 F CB 1.622 40.782 39.000 0.266 0.000 1.237 465 F HN 0.112 nan 8.300 nan 0.000 0.439 466 Q N 4.976 124.710 119.800 -0.111 0.000 2.294 466 Q HA 0.269 4.609 4.340 -0.000 0.000 0.257 466 Q C -0.778 175.019 176.000 -0.339 0.000 0.955 466 Q CA 0.208 55.908 55.803 -0.172 0.000 0.936 466 Q CB 0.643 29.369 28.738 -0.020 0.000 1.188 466 Q HN 0.730 nan 8.270 nan 0.000 0.420 467 F N 4.647 124.336 119.950 -0.435 0.000 2.549 467 F HA 0.415 4.941 4.527 -0.000 0.000 0.275 467 F C -0.706 175.002 175.800 -0.153 0.000 0.990 467 F CA 0.222 57.998 58.000 -0.373 0.000 1.274 467 F CB 0.456 39.217 39.000 -0.397 0.000 1.064 467 F HN 0.521 nan 8.300 nan 0.000 0.715 468 L N -3.870 117.348 121.223 -0.008 0.000 3.002 468 L HA 0.678 5.018 4.340 -0.000 0.000 0.267 468 L C 0.256 177.105 176.870 -0.034 0.000 0.997 468 L CA -0.404 54.369 54.840 -0.111 0.000 0.961 468 L CB 0.897 42.786 42.059 -0.284 0.000 1.502 468 L HN 0.331 nan 8.230 nan 0.000 0.408 469 G N 0.845 109.609 108.800 -0.059 0.000 4.011 469 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.348 469 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.348 469 G C 0.270 175.128 174.900 -0.071 0.000 1.310 469 G CA 1.687 46.758 45.100 -0.049 0.000 1.056 469 G HN 1.270 nan 8.290 nan 0.000 0.728 470 R N 1.246 121.671 120.500 -0.125 0.000 2.905 470 R HA 0.653 4.993 4.340 -0.000 0.000 0.260 470 R C -0.103 175.942 176.300 -0.425 0.000 1.086 470 R CA -0.287 55.689 56.100 -0.207 0.000 0.978 470 R CB 1.098 31.296 30.300 -0.169 0.000 1.215 470 R HN 0.728 nan 8.270 nan 0.000 0.480 471 E N 1.630 121.648 120.200 -0.304 0.000 2.360 471 E HA 0.151 4.501 4.350 -0.000 0.000 0.269 471 E C -0.658 175.720 176.600 -0.369 0.000 1.022 471 E CA -0.255 55.988 56.400 -0.263 0.000 0.887 471 E CB 0.679 30.327 29.700 -0.086 0.000 0.990 471 E HN 0.542 nan 8.360 nan 0.000 0.426 472 H N 1.334 120.474 119.070 0.115 0.000 3.160 472 H HA 0.438 4.994 4.556 -0.000 0.000 0.297 472 H C -0.190 175.230 175.328 0.154 0.000 1.605 472 H CA -0.883 55.275 56.048 0.183 0.000 1.418 472 H CB 1.343 31.352 29.762 0.412 0.000 1.846 472 H HN 0.718 nan 8.280 nan 0.000 0.754 473 E N 0.805 121.165 120.200 0.267 0.000 2.366 473 E HA 0.438 4.787 4.350 -0.000 0.000 0.278 473 E C -1.477 175.128 176.600 0.009 0.000 0.923 473 E CA -0.927 55.508 56.400 0.057 0.000 0.761 473 E CB 2.883 32.541 29.700 -0.070 0.000 1.231 473 E HN 0.232 nan 8.360 nan 0.000 0.443 474 L N 0.814 122.010 121.223 -0.044 0.000 2.256 474 L HA 0.694 5.033 4.340 -0.000 0.000 0.261 474 L C -1.029 175.879 176.870 0.062 0.000 1.022 474 L CA -0.948 53.870 54.840 -0.037 0.000 0.828 474 L CB 2.206 44.209 42.059 -0.094 0.000 1.374 474 L HN 0.485 nan 8.230 nan 0.000 0.436 475 V N 2.708 122.692 119.914 0.117 0.000 3.301 475 V HA 0.272 4.391 4.120 -0.000 0.000 0.477 475 V C -0.417 175.822 176.094 0.242 0.000 1.564 475 V CA -0.099 62.320 62.300 0.200 0.000 1.946 475 V CB 1.005 32.893 31.823 0.109 0.000 1.281 475 V HN 0.754 nan 8.190 nan 0.000 0.655 476 V N 2.542 122.572 119.914 0.194 0.000 2.902 476 V HA 0.472 4.592 4.120 -0.000 0.000 0.297 476 V C 0.681 176.837 176.094 0.103 0.000 1.230 476 V CA 1.953 64.313 62.300 0.100 0.000 1.344 476 V CB 0.717 32.560 31.823 0.033 0.000 0.889 476 V HN 1.171 nan 8.190 nan 0.000 0.515 477 G N 3.814 112.516 108.800 -0.163 0.000 2.655 477 G HA2 0.531 4.491 3.960 -0.000 0.000 0.296 477 G HA3 0.531 4.491 3.960 -0.000 0.000 0.296 477 G C -0.986 173.229 174.900 -1.142 0.000 1.485 477 G CA 0.141 44.993 45.100 -0.414 0.000 0.869 477 G HN 1.043 nan 8.290 nan 0.000 0.540 478 T N -0.874 113.327 114.554 -0.589 0.000 2.906 478 T HA 0.833 5.183 4.350 -0.000 0.000 0.295 478 T C -0.306 174.303 174.700 -0.151 0.000 1.075 478 T CA 0.209 62.048 62.100 -0.435 0.000 1.005 478 T CB 1.755 70.496 68.868 -0.211 0.000 1.136 478 T HN 1.733 nan 8.240 nan 0.000 0.498 479 S N 1.466 117.135 115.700 -0.052 0.000 2.618 479 S HA 0.920 5.390 4.470 -0.000 0.000 0.277 479 S C -1.489 173.094 174.600 -0.027 0.000 1.138 479 S CA -0.323 57.897 58.200 0.033 0.000 0.844 479 S CB 1.607 64.885 63.200 0.130 0.000 1.127 479 S HN 1.334 nan 8.310 nan 0.000 0.474 480 A N 0.911 123.695 122.820 -0.060 0.000 2.520 480 A HA 0.837 5.157 4.320 -0.000 0.000 0.298 480 A C -0.690 176.710 177.584 -0.307 0.000 1.051 480 A CA -0.420 51.489 52.037 -0.213 0.000 0.690 480 A CB 1.586 20.482 19.000 -0.175 0.000 1.281 480 A HN 1.574 nan 8.150 nan 0.000 0.402 481 S N 1.270 116.650 115.700 -0.533 0.000 2.677 481 S HA 0.743 5.213 4.470 -0.000 0.000 0.283 481 S C -1.815 172.436 174.600 -0.582 0.000 1.159 481 S CA -0.342 57.611 58.200 -0.413 0.000 1.001 481 S CB 0.233 63.314 63.200 -0.200 0.000 1.032 481 S HN 0.606 nan 8.310 nan 0.000 0.487 482 F N 3.717 123.694 119.950 0.045 0.000 2.347 482 F HA 0.513 5.040 4.527 -0.000 0.000 0.366 482 F C 0.875 176.727 175.800 0.086 0.000 1.107 482 F CA -0.517 57.516 58.000 0.055 0.000 1.058 482 F CB 1.665 40.698 39.000 0.055 0.000 1.236 482 F HN 0.599 nan 8.300 nan 0.000 0.456 483 S N 1.718 117.548 115.700 0.216 0.000 2.747 483 S HA 0.760 5.230 4.470 -0.000 0.000 0.300 483 S C -1.243 173.546 174.600 0.315 0.000 1.121 483 S CA -0.477 57.853 58.200 0.217 0.000 0.995 483 S CB 1.889 65.175 63.200 0.143 0.000 1.113 483 S HN 0.712 nan 8.310 nan 0.000 0.547 484 H N -0.314 118.866 119.070 0.184 0.000 3.288 484 H HA 0.337 4.893 4.556 -0.000 0.000 0.337 484 H C -2.360 173.120 175.328 0.253 0.000 1.363 484 H CA -0.556 55.606 56.048 0.189 0.000 1.641 484 H CB -0.117 29.734 29.762 0.149 0.000 2.077 484 H HN 0.765 nan 8.280 nan 0.000 0.522 485 W N 7.361 128.602 121.300 -0.098 0.000 2.314 485 W HA 0.492 5.152 4.660 -0.000 0.000 0.310 485 W C -1.068 175.325 176.519 -0.211 0.000 1.075 485 W CA -0.960 56.292 57.345 -0.155 0.000 1.253 485 W CB 0.715 30.162 29.460 -0.020 0.000 1.238 485 W HN 0.707 nan 8.180 nan 0.000 0.440 486 E N 5.272 125.299 120.200 -0.288 0.000 2.266 486 E HA 0.847 5.196 4.350 -0.000 0.000 0.268 486 E C -0.493 175.944 176.600 -0.270 0.000 0.879 486 E CA -1.126 55.029 56.400 -0.408 0.000 0.762 486 E CB 2.183 31.722 29.700 -0.269 0.000 1.199 486 E HN 0.578 nan 8.360 nan 0.000 0.422 487 G N 1.644 110.255 108.800 -0.315 0.000 2.559 487 G HA2 0.428 4.388 3.960 -0.000 0.000 0.291 487 G HA3 0.428 4.388 3.960 -0.000 0.000 0.291 487 G C -1.517 173.320 174.900 -0.105 0.000 1.424 487 G CA -0.977 44.057 45.100 -0.110 0.000 0.786 487 G HN 0.443 nan 8.290 nan 0.000 0.485 488 K N -0.452 119.918 120.400 -0.049 0.000 2.352 488 K HA 0.861 5.180 4.320 -0.000 0.000 0.240 488 K C -1.120 175.456 176.600 -0.040 0.000 1.017 488 K CA -0.993 55.186 56.287 -0.179 0.000 0.851 488 K CB 2.301 34.636 32.500 -0.276 0.000 1.261 488 K HN 0.391 nan 8.250 nan 0.000 0.451 489 S N 0.622 116.176 115.700 -0.244 0.000 2.566 489 S HA 0.408 4.878 4.470 -0.000 0.000 0.273 489 S C -1.784 172.651 174.600 -0.276 0.000 1.157 489 S CA -0.799 57.269 58.200 -0.221 0.000 0.938 489 S CB 0.492 63.671 63.200 -0.035 0.000 1.087 489 S HN 0.435 nan 8.310 nan 0.000 0.474 490 Y N 1.875 121.926 120.300 -0.416 0.000 2.326 490 Y HA 0.506 5.056 4.550 -0.000 0.000 0.331 490 Y C 0.173 176.090 175.900 0.028 0.000 0.962 490 Y CA -1.568 56.396 58.100 -0.226 0.000 1.167 490 Y CB 0.874 39.246 38.460 -0.147 0.000 1.148 490 Y HN 0.977 nan 8.280 nan 0.000 0.463 491 W N 1.210 122.548 121.300 0.063 0.000 1.780 491 W HA 0.408 5.067 4.660 -0.001 0.000 0.256 491 W C -1.219 175.372 176.519 0.121 0.000 0.844 491 W CA -0.628 56.794 57.345 0.128 0.000 1.227 491 W CB -0.152 29.369 29.460 0.102 0.000 1.006 491 W HN 0.369 nan 8.180 nan 0.000 0.493 492 N N 2.606 121.179 118.700 -0.212 0.000 3.229 492 N HA 0.259 4.999 4.740 -0.000 0.000 0.275 492 N C -0.055 175.447 175.510 -0.014 0.000 1.225 492 N CA -0.353 52.585 53.050 -0.187 0.000 1.119 492 N CB 0.174 38.462 38.487 -0.332 0.000 1.392 492 N HN -0.031 nan 8.380 nan 0.000 0.520 493 L N 0.819 122.085 121.223 0.072 0.000 2.473 493 L HA 0.286 4.626 4.340 -0.000 0.000 0.268 493 L C 0.725 177.592 176.870 -0.005 0.000 1.215 493 L CA 0.067 54.915 54.840 0.013 0.000 0.823 493 L CB 0.415 42.470 42.059 -0.006 0.000 1.099 493 L HN 0.230 nan 8.230 nan 0.000 0.483 494 R N 0.988 121.453 120.500 -0.058 0.000 2.574 494 R HA 0.279 4.619 4.340 -0.000 0.000 0.288 494 R C -1.003 175.285 176.300 -0.019 0.000 1.004 494 R CA -0.940 55.145 56.100 -0.026 0.000 0.895 494 R CB 1.447 31.726 30.300 -0.034 0.000 1.191 494 R HN 0.708 nan 8.270 nan 0.000 0.444 495 N N 1.410 120.127 118.700 0.029 0.000 2.663 495 N HA -0.270 4.470 4.740 -0.000 0.000 0.263 495 N C -1.792 173.792 175.510 0.123 0.000 1.109 495 N CA 0.826 53.902 53.050 0.044 0.000 0.701 495 N CB -0.951 37.538 38.487 0.005 0.000 0.879 495 N HN 0.454 nan 8.380 nan 0.000 0.550 496 Y N 0.629 120.902 120.300 -0.045 0.000 2.492 496 Y HA 0.464 5.014 4.550 -0.000 0.000 0.346 496 Y C -1.381 174.511 175.900 -0.014 0.000 0.997 496 Y CA -1.669 56.403 58.100 -0.047 0.000 1.025 496 Y CB 1.540 39.963 38.460 -0.061 0.000 1.263 496 Y HN 0.231 nan 8.280 nan 0.000 0.454 497 D N 4.045 124.136 120.400 -0.515 0.000 2.453 497 D HA 0.131 4.771 4.640 -0.000 0.000 0.238 497 D C -0.797 175.027 176.300 -0.793 0.000 1.088 497 D CA -0.402 53.324 54.000 -0.456 0.000 0.854 497 D CB 0.596 41.253 40.800 -0.239 0.000 1.076 497 D HN 0.785 nan 8.370 nan 0.000 0.533 498 N N 1.711 120.051 118.700 -0.600 0.000 2.327 498 N HA 0.014 4.754 4.740 -0.000 0.000 0.231 498 N C 0.183 175.557 175.510 -0.227 0.000 1.130 498 N CA -0.488 52.308 53.050 -0.423 0.000 0.845 498 N CB 0.601 39.019 38.487 -0.115 0.000 1.073 498 N HN 0.254 nan 8.380 nan 0.000 0.496 499 T N -3.344 111.069 114.554 -0.234 0.000 2.918 499 T HA 0.445 4.795 4.350 -0.000 0.000 0.283 499 T C -0.156 174.449 174.700 -0.158 0.000 1.001 499 T CA -0.595 61.367 62.100 -0.230 0.000 1.041 499 T CB 1.675 70.427 68.868 -0.194 0.000 1.028 499 T HN 0.037 nan 8.240 nan 0.000 0.511 500 T N 1.215 115.671 114.554 -0.164 0.000 2.881 500 T HA 0.302 4.652 4.350 -0.000 0.000 0.290 500 T C 0.662 175.346 174.700 -0.027 0.000 1.000 500 T CA -0.475 61.592 62.100 -0.055 0.000 0.978 500 T CB 1.495 70.333 68.868 -0.049 0.000 0.997 500 T HN 0.826 nan 8.240 nan 0.000 0.443 501 D N 2.790 123.209 120.400 0.031 0.000 2.633 501 D HA -0.176 4.464 4.640 -0.000 0.000 0.206 501 D C 0.397 176.726 176.300 0.049 0.000 1.055 501 D CA 2.867 56.893 54.000 0.043 0.000 0.903 501 D CB 0.178 41.025 40.800 0.078 0.000 1.115 501 D HN 0.838 nan 8.370 nan 0.000 0.479 502 D N -2.802 117.654 120.400 0.092 0.000 2.601 502 D HA 0.248 4.887 4.640 -0.000 0.000 0.230 502 D C 0.029 176.415 176.300 0.143 0.000 1.106 502 D CA -0.811 53.256 54.000 0.113 0.000 0.873 502 D CB 0.683 41.554 40.800 0.117 0.000 1.515 502 D HN 0.122 nan 8.370 nan 0.000 0.468 503 F N 2.554 122.504 119.950 -0.000 0.000 2.044 503 F HA 0.293 4.820 4.527 -0.000 0.000 0.286 503 F C 1.008 176.893 175.800 0.141 0.000 1.173 503 F CA 0.083 58.065 58.000 -0.029 0.000 1.141 503 F CB -0.264 38.712 39.000 -0.040 0.000 1.012 503 F HN 0.517 nan 8.300 nan 0.000 0.482 504 I N 2.790 123.300 120.570 -0.100 0.000 3.224 504 I HA -0.218 3.952 4.170 -0.000 0.000 0.306 504 I C -0.111 176.027 176.117 0.034 0.000 1.231 504 I CA 0.673 61.882 61.300 -0.152 0.000 1.421 504 I CB 0.052 38.100 38.000 0.080 0.000 1.315 504 I HN 0.803 nan 8.210 nan 0.000 0.581 505 N N 7.243 126.007 118.700 0.107 0.000 2.620 505 N HA -0.266 4.474 4.740 -0.000 0.000 0.293 505 N C -1.521 174.146 175.510 0.262 0.000 1.178 505 N CA 1.045 54.198 53.050 0.171 0.000 0.750 505 N CB -1.041 37.512 38.487 0.109 0.000 0.949 505 N HN 0.811 nan 8.380 nan 0.000 0.555 506 W N 2.581 123.895 121.300 0.024 0.000 3.097 506 W HA 0.479 5.139 4.660 -0.000 0.000 0.335 506 W C -1.494 175.015 176.519 -0.018 0.000 1.114 506 W CA -0.894 56.446 57.345 -0.008 0.000 1.231 506 W CB 0.997 30.445 29.460 -0.021 0.000 1.388 506 W HN 0.156 nan 8.180 nan 0.000 0.485 507 D N 3.109 123.329 120.400 -0.301 0.000 3.139 507 D HA 0.209 4.849 4.640 -0.000 0.000 0.268 507 D C 1.573 177.357 176.300 -0.860 0.000 1.322 507 D CA 0.200 54.019 54.000 -0.302 0.000 0.940 507 D CB 0.008 40.771 40.800 -0.062 0.000 1.050 507 D HN 0.872 nan 8.370 nan 0.000 0.503 508 G N 3.089 110.587 108.800 -2.171 0.000 2.425 508 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.290 508 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.290 508 G C 0.095 174.239 174.900 -1.260 0.000 0.863 508 G CA 0.445 43.997 45.100 -2.579 0.000 1.047 508 G HN 0.480 nan 8.290 nan 0.000 0.495 509 D N -0.258 119.686 120.400 -0.760 0.000 2.373 509 D HA 0.594 5.233 4.640 -0.000 0.000 0.227 509 D C 0.221 176.577 176.300 0.094 0.000 1.091 509 D CA -0.554 53.326 54.000 -0.200 0.000 0.840 509 D CB 1.355 42.095 40.800 -0.099 0.000 1.060 509 D HN 0.258 nan 8.370 nan 0.000 0.502 510 I N 0.502 121.229 120.570 0.261 0.000 3.102 510 I HA 0.375 4.544 4.170 -0.000 0.000 0.310 510 I C 0.701 177.097 176.117 0.465 0.000 1.246 510 I CA -1.417 60.109 61.300 0.378 0.000 0.979 510 I CB 2.443 40.724 38.000 0.468 0.000 1.267 510 I HN 0.447 nan 8.210 nan 0.000 0.451 511 G N 1.572 110.554 108.800 0.302 0.000 2.491 511 G HA2 0.075 4.035 3.960 -0.000 0.000 0.238 511 G HA3 0.075 4.035 3.960 -0.000 0.000 0.238 511 G C -0.180 174.632 174.900 -0.147 0.000 1.277 511 G CA -0.187 44.980 45.100 0.110 0.000 0.851 511 G HN 0.627 nan 8.290 nan 0.000 0.573 512 K N 3.728 123.692 120.400 -0.726 0.000 2.180 512 K HA 0.181 4.501 4.320 -0.000 0.000 0.250 512 K C -1.590 174.370 176.600 -1.067 0.000 1.135 512 K CA -1.470 53.926 56.287 -1.485 0.000 1.037 512 K CB 0.291 31.950 32.500 -1.402 0.000 1.624 512 K HN 0.352 nan 8.250 nan 0.000 0.382 513 P HA -0.138 nan 4.420 nan 0.000 0.271 513 P C -0.629 175.900 177.300 -1.286 0.000 1.212 513 P CA 0.158 62.508 63.100 -1.250 0.000 0.788 513 P CB 0.569 31.021 31.700 -2.079 0.000 0.865 514 D N 1.129 121.025 120.400 -0.841 0.000 2.316 514 D HA 0.132 4.772 4.640 -0.000 0.000 0.245 514 D C -0.354 175.601 176.300 -0.576 0.000 1.171 514 D CA -0.295 53.314 54.000 -0.652 0.000 0.856 514 D CB 0.093 40.704 40.800 -0.315 0.000 1.090 514 D HN 0.179 nan 8.370 nan 0.000 0.476 515 W N 3.400 124.582 121.300 -0.196 0.000 2.368 515 W HA 0.373 5.032 4.660 -0.000 0.000 0.316 515 W C 1.359 177.882 176.519 0.006 0.000 1.375 515 W CA -0.883 56.395 57.345 -0.111 0.000 1.261 515 W CB 0.167 29.475 29.460 -0.252 0.000 1.298 515 W HN 0.335 nan 8.180 nan 0.000 0.539 516 G N 2.323 111.226 108.800 0.173 0.000 2.572 516 G HA2 0.188 4.148 3.960 -0.000 0.000 0.144 516 G HA3 0.188 4.148 3.960 -0.000 0.000 0.144 516 G C 0.039 175.016 174.900 0.128 0.000 1.747 516 G CA 0.441 45.596 45.100 0.093 0.000 1.007 516 G HN 0.523 nan 8.290 nan 0.000 0.452 517 T N -0.515 114.031 114.554 -0.013 0.000 2.875 517 T HA 0.544 4.894 4.350 -0.000 0.000 0.284 517 T C -2.766 171.713 174.700 -0.369 0.000 0.995 517 T CA -1.570 60.467 62.100 -0.105 0.000 1.060 517 T CB 1.725 70.546 68.868 -0.077 0.000 0.967 517 T HN 0.134 nan 8.240 nan 0.000 0.476 518 P HA 0.040 nan 4.420 nan 0.000 0.259 518 P C 0.271 177.036 177.300 -0.892 0.000 1.163 518 P CA 0.218 62.581 63.100 -1.229 0.000 0.760 518 P CB 0.258 31.125 31.700 -1.388 0.000 0.762 519 S N 1.547 116.736 115.700 -0.852 0.000 2.556 519 S HA 0.063 4.533 4.470 -0.000 0.000 0.216 519 S C 0.357 174.545 174.600 -0.687 0.000 0.970 519 S CA 0.034 57.727 58.200 -0.846 0.000 0.912 519 S CB -0.125 62.247 63.200 -1.379 0.000 0.790 519 S HN 0.588 nan 8.310 nan 0.000 0.504 520 Q N 0.039 119.506 119.800 -0.556 0.000 2.507 520 Q HA 0.274 4.614 4.340 -0.000 0.000 0.242 520 Q C -2.127 173.669 176.000 -0.339 0.000 0.911 520 Q CA -0.439 55.243 55.803 -0.202 0.000 1.019 520 Q CB 0.772 29.601 28.738 0.153 0.000 1.523 520 Q HN 0.240 nan 8.270 nan 0.000 0.459 521 Y N 2.558 122.777 120.300 -0.135 0.000 2.488 521 Y HA 0.711 5.261 4.550 -0.000 0.000 0.325 521 Y C 0.228 176.014 175.900 -0.191 0.000 1.204 521 Y CA -0.755 57.247 58.100 -0.163 0.000 1.229 521 Y CB 1.386 39.751 38.460 -0.158 0.000 1.274 521 Y HN 0.461 nan 8.280 nan 0.000 0.493 522 I N 1.518 122.019 120.570 -0.116 0.000 2.548 522 I HA 0.243 4.412 4.170 -0.000 0.000 0.287 522 I C -1.357 174.541 176.117 -0.365 0.000 1.103 522 I CA -0.472 60.615 61.300 -0.356 0.000 1.049 522 I CB 1.936 39.490 38.000 -0.745 0.000 1.232 522 I HN 0.550 nan 8.210 nan 0.000 0.429 523 D N 5.726 125.973 120.400 -0.254 0.000 2.429 523 D HA 0.309 4.949 4.640 -0.000 0.000 0.255 523 D C -1.452 174.818 176.300 -0.050 0.000 1.257 523 D CA -0.244 53.677 54.000 -0.132 0.000 0.890 523 D CB 1.263 42.044 40.800 -0.032 0.000 1.267 523 D HN 0.502 nan 8.370 nan 0.000 0.521 524 D N 1.354 121.718 120.400 -0.060 0.000 2.481 524 D HA 0.433 5.072 4.640 -0.000 0.000 0.244 524 D C -0.554 175.883 176.300 0.228 0.000 1.057 524 D CA -0.415 53.638 54.000 0.088 0.000 0.848 524 D CB 1.865 42.723 40.800 0.098 0.000 1.388 524 D HN -0.012 nan 8.370 nan 0.000 0.475 525 K N 0.698 121.240 120.400 0.237 0.000 2.471 525 K HA 0.605 4.925 4.320 -0.000 0.000 0.252 525 K C -1.180 175.551 176.600 0.219 0.000 0.938 525 K CA -0.915 55.533 56.287 0.268 0.000 0.796 525 K CB 2.069 34.702 32.500 0.222 0.000 1.161 525 K HN 0.403 nan 8.250 nan 0.000 0.425 526 T N -0.020 114.656 114.554 0.203 0.000 2.823 526 T HA 0.407 4.757 4.350 -0.000 0.000 0.279 526 T C -0.190 174.540 174.700 0.050 0.000 0.998 526 T CA -1.030 61.151 62.100 0.135 0.000 0.994 526 T CB 1.731 70.653 68.868 0.090 0.000 0.960 526 T HN 0.383 nan 8.240 nan 0.000 0.448 527 R N 2.556 123.063 120.500 0.012 0.000 2.477 527 R HA 0.204 4.544 4.340 -0.000 0.000 0.285 527 R C -0.635 175.566 176.300 -0.166 0.000 1.415 527 R CA -0.338 55.740 56.100 -0.036 0.000 1.446 527 R CB 0.866 31.256 30.300 0.150 0.000 1.110 527 R HN 0.883 nan 8.270 nan 0.000 0.590 528 Q N 4.093 123.706 119.800 -0.311 0.000 2.279 528 Q HA 0.355 4.694 4.340 -0.000 0.000 0.256 528 Q C -0.848 175.020 176.000 -0.220 0.000 0.937 528 Q CA -0.225 55.393 55.803 -0.309 0.000 0.933 528 Q CB 1.087 29.573 28.738 -0.419 0.000 1.189 528 Q HN 0.541 nan 8.270 nan 0.000 0.417 529 L N 2.359 123.514 121.223 -0.113 0.000 2.535 529 L HA 0.878 5.218 4.340 -0.000 0.000 0.259 529 L C -0.017 176.847 176.870 -0.010 0.000 1.263 529 L CA -0.470 54.324 54.840 -0.076 0.000 1.282 529 L CB 1.995 44.033 42.059 -0.034 0.000 1.901 529 L HN 0.914 nan 8.230 nan 0.000 0.572 530 G N -0.124 108.681 108.800 0.008 0.000 2.402 530 G HA2 0.213 4.173 3.960 -0.000 0.000 0.666 530 G HA3 0.213 4.173 3.960 -0.000 0.000 0.666 530 G C -1.607 173.294 174.900 0.002 0.000 1.402 530 G CA -0.224 44.899 45.100 0.038 0.000 0.920 530 G HN 0.538 nan 8.290 nan 0.000 0.651 531 S N -0.407 115.288 115.700 -0.009 0.000 2.599 531 S HA 0.967 5.437 4.470 -0.000 0.000 0.287 531 S C -0.642 173.925 174.600 -0.055 0.000 1.105 531 S CA -0.184 57.930 58.200 -0.145 0.000 0.899 531 S CB 1.402 64.532 63.200 -0.117 0.000 1.100 531 S HN 1.799 nan 8.310 nan 0.000 0.482 535 A N 1.959 124.718 122.820 -0.103 0.000 2.343 535 A HA 0.858 5.178 4.320 -0.000 0.000 0.316 535 A C -0.163 177.173 177.584 -0.413 0.000 1.104 535 A CA -0.884 50.904 52.037 -0.415 0.000 0.768 535 A CB 1.203 19.690 19.000 -0.855 0.000 1.213 535 A HN 0.770 nan 8.150 nan 0.000 0.456 536 R N 2.572 122.837 120.500 -0.392 0.000 2.860 536 R HA 0.498 4.838 4.340 -0.000 0.000 0.282 536 R C -1.713 174.476 176.300 -0.185 0.000 1.408 536 R CA -0.224 55.642 56.100 -0.388 0.000 1.636 536 R CB -0.595 29.591 30.300 -0.190 0.000 1.187 536 R HN 0.404 nan 8.270 nan 0.000 0.611 537 F N 1.343 121.217 119.950 -0.126 0.000 2.380 537 F HA 0.304 4.830 4.527 -0.000 0.000 0.325 537 F C 0.710 176.516 175.800 0.009 0.000 1.136 537 F CA -0.790 57.167 58.000 -0.071 0.000 1.171 537 F CB 0.975 39.867 39.000 -0.179 0.000 1.230 537 F HN 0.534 nan 8.300 nan 0.000 0.554 538 N N -1.182 117.762 118.700 0.407 0.000 2.549 538 N HA 0.433 5.173 4.740 -0.000 0.000 0.281 538 N C -0.592 175.025 175.510 0.178 0.000 1.084 538 N CA -0.607 52.569 53.050 0.211 0.000 0.862 538 N CB 1.674 40.253 38.487 0.154 0.000 1.333 538 N HN 0.204 nan 8.380 nan 0.000 0.523 539 V N 0.977 120.942 119.914 0.086 0.000 2.667 539 V HA -0.015 4.105 4.120 -0.000 0.000 0.252 539 V C 0.774 176.883 176.094 0.026 0.000 1.065 539 V CA 1.253 63.576 62.300 0.038 0.000 1.083 539 V CB -0.318 31.499 31.823 -0.011 0.000 0.692 539 V HN 0.785 nan 8.190 nan 0.000 0.468 540 T N -0.729 113.841 114.554 0.028 0.000 2.896 540 T HA 0.279 4.629 4.350 -0.000 0.000 0.297 540 T C -0.403 174.334 174.700 0.062 0.000 1.108 540 T CA -0.558 61.562 62.100 0.033 0.000 1.004 540 T CB 1.782 70.659 68.868 0.014 0.000 1.159 540 T HN 0.186 nan 8.240 nan 0.000 0.499 541 D N 1.902 122.340 120.400 0.062 0.000 2.488 541 D HA 0.090 4.729 4.640 -0.000 0.000 0.260 541 D C 0.074 176.432 176.300 0.095 0.000 1.273 541 D CA 0.685 54.722 54.000 0.062 0.000 0.912 541 D CB 0.179 41.005 40.800 0.042 0.000 0.982 541 D HN 0.527 nan 8.370 nan 0.000 0.492 542 D N -0.903 119.583 120.400 0.144 0.000 2.315 542 D HA 0.062 4.701 4.640 -0.000 0.000 0.272 542 D C 0.358 176.824 176.300 0.278 0.000 1.238 542 D CA -0.417 53.723 54.000 0.233 0.000 1.160 542 D CB 0.532 41.566 40.800 0.389 0.000 1.780 542 D HN 0.047 nan 8.370 nan 0.000 0.484 543 L N 1.739 123.080 121.223 0.196 0.000 2.265 543 L HA 0.511 4.851 4.340 -0.000 0.000 0.288 543 L C -1.138 175.764 176.870 0.053 0.000 1.058 543 L CA -0.111 54.779 54.840 0.083 0.000 0.809 543 L CB 0.577 42.524 42.059 -0.187 0.000 1.179 543 L HN -0.041 nan 8.230 nan 0.000 0.429 544 N N 4.325 123.056 118.700 0.051 0.000 2.272 544 N HA 0.594 5.334 4.740 -0.000 0.000 0.305 544 N C -1.563 173.891 175.510 -0.094 0.000 1.103 544 N CA -0.843 52.188 53.050 -0.031 0.000 0.791 544 N CB 2.191 40.619 38.487 -0.099 0.000 1.356 544 N HN 0.419 nan 8.380 nan 0.000 0.486 545 L N 1.485 122.631 121.223 -0.130 0.000 2.334 545 L HA 0.549 4.889 4.340 -0.000 0.000 0.273 545 L C -1.471 175.195 176.870 -0.341 0.000 1.013 545 L CA -0.362 54.423 54.840 -0.093 0.000 0.816 545 L CB 0.927 43.037 42.059 0.086 0.000 1.278 545 L HN 0.503 nan 8.230 nan 0.000 0.431 546 F N 4.912 124.842 119.950 -0.033 0.000 2.366 546 F HA 0.438 4.965 4.527 -0.000 0.000 0.357 546 F C -0.526 175.191 175.800 -0.138 0.000 1.107 546 F CA -0.374 57.555 58.000 -0.119 0.000 1.208 546 F CB 0.487 39.343 39.000 -0.240 0.000 1.464 546 F HN 0.100 nan 8.300 nan 0.000 0.501 547 L N 2.404 123.634 121.223 0.012 0.000 2.289 547 L HA 0.922 5.262 4.340 -0.000 0.000 0.285 547 L C 0.448 177.364 176.870 0.076 0.000 1.049 547 L CA -0.525 54.347 54.840 0.054 0.000 0.804 547 L CB 1.450 43.554 42.059 0.074 0.000 1.195 547 L HN 0.637 nan 8.230 nan 0.000 0.428 548 G N 1.350 110.246 108.800 0.160 0.000 2.340 548 G HA2 0.522 4.482 3.960 -0.000 0.000 0.298 548 G HA3 0.522 4.482 3.960 -0.000 0.000 0.298 548 G C -1.383 173.622 174.900 0.175 0.000 1.498 548 G CA -0.016 45.192 45.100 0.180 0.000 0.847 548 G HN 0.883 nan 8.290 nan 0.000 0.594 549 G N -0.985 107.876 108.800 0.101 0.000 2.649 549 G HA2 0.763 4.723 3.960 -0.000 0.000 0.290 549 G HA3 0.763 4.723 3.960 -0.000 0.000 0.290 549 G C -1.519 173.317 174.900 -0.106 0.000 1.426 549 G CA -0.655 44.351 45.100 -0.157 0.000 0.794 549 G HN 0.731 nan 8.290 nan 0.000 0.483 550 R N 0.374 120.705 120.500 -0.281 0.000 2.502 550 R HA 0.573 4.913 4.340 -0.000 0.000 0.298 550 R C -1.131 175.087 176.300 -0.136 0.000 1.018 550 R CA -0.455 55.588 56.100 -0.095 0.000 0.899 550 R CB 1.977 32.217 30.300 -0.100 0.000 1.181 550 R HN 0.527 nan 8.270 nan 0.000 0.444 551 V N 4.435 124.372 119.914 0.039 0.000 3.403 551 V HA 0.712 4.832 4.120 -0.000 0.000 0.305 551 V C -0.607 175.540 176.094 0.088 0.000 1.060 551 V CA -0.127 62.236 62.300 0.106 0.000 1.053 551 V CB 1.837 33.776 31.823 0.193 0.000 1.198 551 V HN 0.604 nan 8.190 nan 0.000 0.447 552 V N 1.845 121.842 119.914 0.139 0.000 3.265 552 V HA 0.534 4.654 4.120 -0.000 0.000 0.275 552 V C -2.414 173.809 176.094 0.214 0.000 1.684 552 V CA -0.070 62.334 62.300 0.173 0.000 1.032 552 V CB 2.462 34.429 31.823 0.241 0.000 1.250 552 V HN 1.228 nan 8.190 nan 0.000 0.468 553 D N 2.185 122.690 120.400 0.176 0.000 2.857 553 D HA 0.575 5.215 4.640 -0.000 0.000 0.227 553 D C -1.673 174.728 176.300 0.169 0.000 1.192 553 D CA -0.421 53.681 54.000 0.169 0.000 0.857 553 D CB 1.884 42.755 40.800 0.118 0.000 1.645 553 D HN 0.604 nan 8.370 nan 0.000 0.482 554 Y N 1.177 121.494 120.300 0.027 0.000 2.409 554 Y HA 0.587 5.137 4.550 -0.000 0.000 0.343 554 Y C -1.022 174.881 175.900 0.006 0.000 0.973 554 Y CA -1.179 56.916 58.100 -0.008 0.000 1.064 554 Y CB 1.862 40.270 38.460 -0.085 0.000 1.207 554 Y HN 0.629 nan 8.280 nan 0.000 0.452 555 R N 5.115 125.853 120.500 0.396 0.000 2.510 555 R HA 0.555 4.895 4.340 -0.000 0.000 0.294 555 R C -2.174 174.310 176.300 0.307 0.000 1.056 555 R CA -0.436 55.830 56.100 0.276 0.000 0.918 555 R CB 1.571 31.966 30.300 0.158 0.000 1.187 555 R HN 0.581 nan 8.270 nan 0.000 0.437 556 V N 5.238 125.326 119.914 0.291 0.000 2.611 556 V HA 0.162 4.282 4.120 -0.000 0.000 0.286 556 V C -0.258 175.939 176.094 0.171 0.000 1.118 556 V CA -0.252 62.207 62.300 0.266 0.000 1.334 556 V CB 0.800 32.792 31.823 0.281 0.000 1.555 556 V HN 0.833 nan 8.190 nan 0.000 0.594 557 T N 0.829 115.472 114.554 0.147 0.000 2.736 557 T HA 0.505 4.855 4.350 -0.000 0.000 0.275 557 T C 0.756 175.521 174.700 0.108 0.000 0.962 557 T CA 0.475 62.641 62.100 0.110 0.000 1.214 557 T CB 0.814 69.738 68.868 0.093 0.000 0.904 557 T HN 0.694 nan 8.240 nan 0.000 0.529 558 G N 1.753 110.609 108.800 0.094 0.000 3.310 558 G HA2 0.486 4.445 3.960 -0.000 0.000 0.174 558 G HA3 0.486 4.445 3.960 -0.000 0.000 0.174 558 G C 0.084 175.013 174.900 0.049 0.000 1.097 558 G CA -0.593 44.555 45.100 0.080 0.000 0.795 558 G HN 0.677 nan 8.290 nan 0.000 0.670 559 L N -0.399 120.844 121.223 0.033 0.000 2.693 559 L HA 0.581 4.920 4.340 -0.000 0.000 0.235 559 L C 0.053 176.937 176.870 0.024 0.000 1.127 559 L CA 0.045 54.892 54.840 0.011 0.000 0.914 559 L CB -0.125 41.922 42.059 -0.020 0.000 1.193 559 L HN 0.300 nan 8.230 nan 0.000 0.502 560 N N -0.800 117.933 118.700 0.056 0.000 2.381 560 N HA 0.477 5.216 4.740 -0.000 0.000 0.294 560 N C -2.640 172.920 175.510 0.083 0.000 1.216 560 N CA -1.947 51.148 53.050 0.073 0.000 0.803 560 N CB 1.506 40.066 38.487 0.122 0.000 1.372 560 N HN -0.265 nan 8.380 nan 0.000 0.500 561 P HA -0.126 nan 4.420 nan 0.000 0.090 561 P C -0.883 176.460 177.300 0.072 0.000 0.629 561 P CA 0.724 63.868 63.100 0.073 0.000 1.141 561 P CB -0.961 30.789 31.700 0.084 0.000 1.625 562 T N 3.501 118.093 114.554 0.064 0.000 2.723 562 T HA 0.017 4.367 4.350 -0.000 0.000 0.260 562 T C 0.803 175.534 174.700 0.052 0.000 1.019 562 T CA 0.782 62.919 62.100 0.063 0.000 1.155 562 T CB -0.533 68.368 68.868 0.056 0.000 1.024 562 T HN 0.307 nan 8.240 nan 0.000 0.491 563 I N 0.692 121.290 120.570 0.046 0.000 2.802 563 I HA 0.893 5.063 4.170 -0.000 0.000 0.298 563 I C -0.601 175.525 176.117 0.016 0.000 1.176 563 I CA -1.511 59.798 61.300 0.015 0.000 1.025 563 I CB 2.626 40.610 38.000 -0.027 0.000 1.243 563 I HN 0.733 nan 8.210 nan 0.000 0.424 564 R N 2.572 123.077 120.500 0.009 0.000 2.692 564 R HA 0.642 4.982 4.340 -0.000 0.000 0.269 564 R C -1.819 174.492 176.300 0.018 0.000 1.030 564 R CA -0.765 55.361 56.100 0.042 0.000 0.882 564 R CB 2.350 32.705 30.300 0.092 0.000 1.250 564 R HN 0.665 nan 8.270 nan 0.000 0.465 565 E N 0.549 120.776 120.200 0.046 0.000 2.340 565 E HA 0.523 4.873 4.350 -0.000 0.000 0.273 565 E C -1.714 174.956 176.600 0.116 0.000 0.891 565 E CA -0.571 55.858 56.400 0.049 0.000 0.757 565 E CB 2.578 32.263 29.700 -0.025 0.000 1.231 565 E HN 0.595 nan 8.360 nan 0.000 0.439 566 S N -0.556 115.220 115.700 0.126 0.000 2.570 566 S HA 0.558 5.028 4.470 -0.000 0.000 0.270 566 S C 0.220 174.907 174.600 0.147 0.000 1.149 566 S CA 0.398 58.681 58.200 0.139 0.000 0.837 566 S CB 1.247 64.511 63.200 0.107 0.000 1.124 566 S HN 0.783 nan 8.310 nan 0.000 0.465 567 G N 1.980 110.870 108.800 0.149 0.000 2.166 567 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.260 567 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.260 567 G C -0.004 175.003 174.900 0.179 0.000 0.986 567 G CA 0.850 46.036 45.100 0.143 0.000 0.683 567 G HN 0.786 nan 8.290 nan 0.000 0.527 568 R N -0.353 120.283 120.500 0.227 0.000 2.490 568 R HA 0.610 4.950 4.340 -0.000 0.000 0.280 568 R C -0.432 175.975 176.300 0.177 0.000 1.077 568 R CA -1.319 54.924 56.100 0.237 0.000 1.065 568 R CB -0.018 30.538 30.300 0.426 0.000 1.003 568 R HN 0.198 nan 8.270 nan 0.000 0.470 569 F N 5.606 125.544 119.950 -0.020 0.000 2.404 569 F HA 0.486 5.013 4.527 -0.000 0.000 0.354 569 F C -0.630 175.092 175.800 -0.130 0.000 1.122 569 F CA -1.025 56.947 58.000 -0.047 0.000 1.080 569 F CB 0.701 39.705 39.000 0.007 0.000 1.131 569 F HN 0.409 nan 8.300 nan 0.000 0.471 570 I N 8.881 129.022 120.570 -0.715 0.000 2.339 570 I HA 0.383 4.552 4.170 -0.000 0.000 0.290 570 I C -2.429 173.140 176.117 -0.913 0.000 0.994 570 I CA -1.909 58.987 61.300 -0.673 0.000 1.191 570 I CB 1.567 39.229 38.000 -0.564 0.000 1.343 570 I HN 0.405 nan 8.210 nan 0.000 0.458 571 P HA 0.259 nan 4.420 nan 0.000 0.292 571 P C -1.748 175.516 177.300 -0.059 0.000 1.300 571 P CA -0.671 62.219 63.100 -0.351 0.000 0.900 571 P CB 1.955 33.724 31.700 0.115 0.000 1.139 572 Y N 2.091 122.334 120.300 -0.096 0.000 2.327 572 Y HA 0.486 5.036 4.550 -0.000 0.000 0.325 572 Y C -1.609 174.340 175.900 0.081 0.000 0.999 572 Y CA -0.857 57.210 58.100 -0.055 0.000 1.195 572 Y CB 1.119 39.516 38.460 -0.104 0.000 1.132 572 Y HN 0.070 nan 8.280 nan 0.000 0.455 573 V N 5.415 125.180 119.914 -0.250 0.000 2.612 573 V HA 0.921 5.040 4.120 -0.000 0.000 0.301 573 V C -0.140 175.850 176.094 -0.173 0.000 1.059 573 V CA -0.206 62.005 62.300 -0.148 0.000 0.886 573 V CB 1.477 33.352 31.823 0.088 0.000 1.007 573 V HN 0.961 nan 8.190 nan 0.000 0.426 574 G N 2.644 111.377 108.800 -0.111 0.000 2.649 574 G HA2 0.967 4.927 3.960 -0.000 0.000 0.290 574 G HA3 0.967 4.927 3.960 -0.000 0.000 0.290 574 G C -1.498 173.572 174.900 0.283 0.000 1.426 574 G CA -0.086 45.045 45.100 0.051 0.000 0.794 574 G HN 1.359 nan 8.290 nan 0.000 0.483 575 A N -1.157 121.848 122.820 0.308 0.000 2.577 575 A HA 0.785 5.105 4.320 -0.000 0.000 0.297 575 A C -1.618 176.153 177.584 0.313 0.000 1.060 575 A CA -0.280 51.930 52.037 0.288 0.000 0.697 575 A CB 1.711 20.799 19.000 0.145 0.000 1.281 575 A HN 2.077 nan 8.150 nan 0.000 0.402 576 V N 2.485 122.581 119.914 0.304 0.000 2.555 576 V HA 0.797 4.917 4.120 -0.000 0.000 0.302 576 V C -1.846 174.432 176.094 0.308 0.000 1.038 576 V CA -0.578 61.911 62.300 0.315 0.000 0.887 576 V CB 1.756 33.760 31.823 0.301 0.000 0.991 576 V HN 1.113 nan 8.190 nan 0.000 0.434 577 Y N 4.139 124.519 120.300 0.134 0.000 2.350 577 Y HA 0.595 5.145 4.550 -0.000 0.000 0.338 577 Y C -0.531 175.422 175.900 0.089 0.000 0.961 577 Y CA -1.959 56.198 58.100 0.095 0.000 1.100 577 Y CB 1.707 40.216 38.460 0.081 0.000 1.179 577 Y HN 0.743 nan 8.280 nan 0.000 0.454 578 D N 7.000 127.465 120.400 0.109 0.000 2.374 578 D HA 0.231 4.871 4.640 -0.000 0.000 0.240 578 D C 0.868 176.964 176.300 -0.339 0.000 1.229 578 D CA 0.245 54.197 54.000 -0.081 0.000 0.895 578 D CB 0.733 41.541 40.800 0.015 0.000 1.046 578 D HN 0.537 nan 8.370 nan 0.000 0.498 579 L N 1.248 122.290 121.223 -0.302 0.000 1.922 579 L HA 0.037 4.377 4.340 -0.000 0.000 0.224 579 L C 1.525 178.301 176.870 -0.158 0.000 1.109 579 L CA 0.115 54.778 54.840 -0.295 0.000 1.405 579 L CB -0.392 41.577 42.059 -0.149 0.000 1.179 579 L HN 0.406 nan 8.230 nan 0.000 0.700 580 N N 0.382 119.031 118.700 -0.085 0.000 2.255 580 N HA -0.102 4.637 4.740 -0.000 0.000 0.253 580 N C 0.359 175.800 175.510 -0.115 0.000 1.313 580 N CA 0.059 53.060 53.050 -0.082 0.000 0.912 580 N CB 0.619 39.069 38.487 -0.062 0.000 1.145 580 N HN 0.260 nan 8.380 nan 0.000 0.511 581 D N -0.271 120.056 120.400 -0.123 0.000 2.310 581 D HA -0.051 4.589 4.640 -0.000 0.000 0.212 581 D C 0.821 176.996 176.300 -0.209 0.000 0.965 581 D CA 1.030 54.952 54.000 -0.129 0.000 0.879 581 D CB 0.372 41.109 40.800 -0.104 0.000 0.921 581 D HN 0.495 nan 8.370 nan 0.000 0.510 582 T N -0.132 114.230 114.554 -0.320 0.000 3.440 582 T HA 0.015 4.365 4.350 -0.000 0.000 0.209 582 T C 0.594 174.996 174.700 -0.498 0.000 0.906 582 T CA -0.052 61.700 62.100 -0.579 0.000 1.757 582 T CB -0.446 67.840 68.868 -0.969 0.000 1.568 582 T HN -0.120 nan 8.240 nan 0.000 0.454 583 Y N 1.756 121.957 120.300 -0.165 0.000 2.469 583 Y HA 0.413 4.963 4.550 -0.000 0.000 0.353 583 Y C 0.941 176.799 175.900 -0.069 0.000 1.269 583 Y CA -0.299 57.743 58.100 -0.096 0.000 1.504 583 Y CB -0.001 38.427 38.460 -0.052 0.000 1.369 583 Y HN 0.189 nan 8.280 nan 0.000 0.654 584 S N -1.251 114.550 115.700 0.168 0.000 2.595 584 S HA 0.617 5.087 4.470 -0.000 0.000 0.270 584 S C -1.477 173.226 174.600 0.173 0.000 1.145 584 S CA -0.847 57.416 58.200 0.105 0.000 0.825 584 S CB 1.351 64.598 63.200 0.077 0.000 1.107 584 S HN 0.636 nan 8.310 nan 0.000 0.461 585 V N 0.697 120.727 119.914 0.193 0.000 2.914 585 V HA 1.006 5.126 4.120 -0.000 0.000 0.314 585 V C -1.378 174.933 176.094 0.361 0.000 1.084 585 V CA -0.795 61.666 62.300 0.267 0.000 0.963 585 V CB 1.278 33.210 31.823 0.181 0.000 1.025 585 V HN 1.058 nan 8.190 nan 0.000 0.432 586 Y N 1.008 121.391 120.300 0.137 0.000 2.615 586 Y HA 1.011 5.561 4.550 -0.000 0.000 0.341 586 Y C -0.580 175.396 175.900 0.126 0.000 1.089 586 Y CA -1.199 56.985 58.100 0.140 0.000 1.049 586 Y CB 1.411 39.947 38.460 0.127 0.000 1.296 586 Y HN 1.291 nan 8.280 nan 0.000 0.470 587 A N 1.391 124.213 122.820 0.004 0.000 2.572 587 A HA 0.899 5.219 4.320 -0.000 0.000 0.295 587 A C -1.042 176.577 177.584 0.059 0.000 1.072 587 A CA -0.133 51.852 52.037 -0.087 0.000 0.691 587 A CB 1.400 20.399 19.000 -0.001 0.000 1.291 587 A HN 1.907 nan 8.150 nan 0.000 0.404 588 S N -0.132 115.608 115.700 0.067 0.000 2.552 588 S HA 0.582 5.051 4.470 -0.000 0.000 0.272 588 S C -1.693 172.994 174.600 0.144 0.000 1.150 588 S CA -0.398 57.857 58.200 0.092 0.000 0.849 588 S CB 1.326 64.587 63.200 0.101 0.000 1.113 588 S HN 1.819 nan 8.310 nan 0.000 0.458 589 Y N 2.965 123.243 120.300 -0.036 0.000 2.748 589 Y HA 0.473 5.022 4.550 -0.000 0.000 0.359 589 Y C 0.069 175.916 175.900 -0.089 0.000 1.030 589 Y CA -0.289 57.759 58.100 -0.087 0.000 1.169 589 Y CB 0.441 38.891 38.460 -0.017 0.000 1.127 589 Y HN 0.944 nan 8.280 nan 0.000 0.644 590 T N 0.527 114.865 114.554 -0.360 0.000 2.904 590 T HA 0.472 4.821 4.350 -0.000 0.000 0.290 590 T C -0.559 173.796 174.700 -0.574 0.000 1.018 590 T CA -0.459 61.458 62.100 -0.306 0.000 1.075 590 T CB 2.249 71.039 68.868 -0.130 0.000 0.986 590 T HN 0.605 nan 8.240 nan 0.000 0.523 591 D N -0.256 119.870 120.400 -0.456 0.000 2.566 591 D HA 0.770 5.409 4.640 -0.000 0.000 0.254 591 D C -1.154 174.960 176.300 -0.310 0.000 1.090 591 D CA -0.840 52.895 54.000 -0.442 0.000 1.034 591 D CB 1.814 42.329 40.800 -0.475 0.000 1.434 591 D HN 0.835 nan 8.370 nan 0.000 0.509 592 I N 1.038 121.451 120.570 -0.262 0.000 2.614 592 I HA 0.367 4.536 4.170 -0.000 0.000 0.300 592 I C -1.930 174.175 176.117 -0.020 0.000 1.825 592 I CA -0.713 60.479 61.300 -0.180 0.000 0.951 592 I CB 0.945 38.871 38.000 -0.123 0.000 1.487 592 I HN 0.452 nan 8.210 nan 0.000 0.581 596 Q N 0.859 120.491 119.800 -0.282 0.000 2.535 596 Q HA 0.247 4.587 4.340 -0.000 0.000 0.228 596 Q C -0.128 175.733 176.000 -0.232 0.000 1.062 596 Q CA 0.101 55.791 55.803 -0.188 0.000 0.967 596 Q CB 0.598 29.296 28.738 -0.066 0.000 1.273 596 Q HN 0.358 nan 8.270 nan 0.000 0.554 597 D N -0.680 119.535 120.400 -0.310 0.000 2.358 597 D HA 0.049 4.688 4.640 -0.000 0.000 0.244 597 D C 0.443 176.531 176.300 -0.353 0.000 1.163 597 D CA 0.159 53.757 54.000 -0.670 0.000 0.945 597 D CB 0.875 40.738 40.800 -1.563 0.000 1.152 597 D HN 0.384 nan 8.370 nan 0.000 0.451 598 S N -0.348 115.314 115.700 -0.063 0.000 2.481 598 S HA -0.085 4.385 4.470 -0.000 0.000 0.231 598 S C 1.615 176.505 174.600 0.483 0.000 0.996 598 S CA 0.248 58.644 58.200 0.326 0.000 0.942 598 S CB -0.175 63.289 63.200 0.440 0.000 0.768 598 S HN 0.540 nan 8.310 nan 0.000 0.520 599 W N 0.619 121.807 121.300 -0.186 0.000 2.317 599 W HA -0.140 4.520 4.660 -0.000 0.000 0.318 599 W C 0.008 176.487 176.519 -0.066 0.000 1.227 599 W CA -0.250 56.972 57.345 -0.204 0.000 1.269 599 W CB -0.631 28.531 29.460 -0.497 0.000 1.155 599 W HN 0.241 nan 8.180 nan 0.000 0.484 600 Y N 1.856 122.293 120.300 0.229 0.000 2.537 600 Y HA 0.232 4.781 4.550 -0.000 0.000 0.339 600 Y C 0.688 176.687 175.900 0.164 0.000 1.066 600 Y CA -0.102 58.070 58.100 0.121 0.000 1.357 600 Y CB -0.140 38.219 38.460 -0.168 0.000 1.175 600 Y HN -0.203 nan 8.280 nan 0.000 0.525 601 R N 2.260 122.992 120.500 0.386 0.000 2.739 601 R HA 0.304 4.643 4.340 -0.000 0.000 0.271 601 R C -0.948 175.452 176.300 0.168 0.000 1.010 601 R CA -0.935 55.297 56.100 0.220 0.000 0.897 601 R CB 2.095 32.508 30.300 0.188 0.000 1.236 601 R HN 0.758 nan 8.270 nan 0.000 0.466 602 D N -0.930 119.524 120.400 0.089 0.000 2.440 602 D HA 0.082 4.722 4.640 -0.000 0.000 0.258 602 D C 0.853 177.127 176.300 -0.044 0.000 1.092 602 D CA -0.220 53.791 54.000 0.019 0.000 1.016 602 D CB 0.775 41.579 40.800 0.007 0.000 1.141 602 D HN 0.400 nan 8.370 nan 0.000 0.552 603 S N 0.034 115.635 115.700 -0.165 0.000 2.434 603 S HA -0.338 4.132 4.470 -0.000 0.000 0.250 603 S C 1.837 176.384 174.600 -0.088 0.000 1.102 603 S CA 2.289 60.316 58.200 -0.288 0.000 1.104 603 S CB -0.845 62.210 63.200 -0.243 0.000 0.957 603 S HN 0.538 nan 8.310 nan 0.000 0.456 604 S N 1.781 117.468 115.700 -0.020 0.000 2.294 604 S HA 0.145 4.615 4.470 -0.000 0.000 0.203 604 S C 0.948 175.585 174.600 0.061 0.000 1.022 604 S CA 1.002 59.220 58.200 0.029 0.000 0.955 604 S CB -0.325 62.890 63.200 0.025 0.000 0.943 604 S HN 0.799 nan 8.310 nan 0.000 0.472 605 N N -0.573 118.162 118.700 0.059 0.000 3.503 605 N HA 0.081 4.821 4.740 -0.000 0.000 0.145 605 N C -1.868 173.686 175.510 0.073 0.000 1.029 605 N CA -0.059 53.039 53.050 0.079 0.000 2.824 605 N CB 0.082 38.615 38.487 0.077 0.000 1.282 605 N HN 0.009 nan 8.380 nan 0.000 0.780 606 K N 1.252 121.692 120.400 0.065 0.000 2.244 606 K HA 0.442 4.762 4.320 -0.000 0.000 0.260 606 K C -0.340 176.303 176.600 0.072 0.000 0.951 606 K CA -0.789 55.533 56.287 0.060 0.000 0.826 606 K CB 1.210 33.735 32.500 0.041 0.000 1.108 606 K HN 0.351 nan 8.250 nan 0.000 0.433 607 L N 2.144 123.411 121.223 0.073 0.000 2.623 607 L HA 0.236 4.575 4.340 -0.000 0.000 0.281 607 L C 0.194 177.092 176.870 0.047 0.000 1.150 607 L CA -0.411 54.478 54.840 0.083 0.000 0.965 607 L CB -0.765 41.332 42.059 0.062 0.000 1.303 607 L HN 0.357 nan 8.230 nan 0.000 0.467 608 L N 2.784 124.039 121.223 0.053 0.000 2.954 608 L HA -0.188 4.152 4.340 -0.000 0.000 0.316 608 L C 1.037 177.897 176.870 -0.017 0.000 1.192 608 L CA 0.421 55.267 54.840 0.011 0.000 0.863 608 L CB -0.355 41.696 42.059 -0.013 0.000 1.198 608 L HN 0.666 nan 8.230 nan 0.000 0.519 609 E N 5.402 125.593 120.200 -0.015 0.000 2.516 609 E HA -0.066 4.283 4.350 -0.000 0.000 0.270 609 E C -2.051 174.514 176.600 -0.057 0.000 1.130 609 E CA -0.754 55.631 56.400 -0.024 0.000 1.023 609 E CB -0.363 29.338 29.700 0.002 0.000 1.004 609 E HN 0.400 nan 8.360 nan 0.000 0.463 610 P HA -0.144 nan 4.420 nan 0.000 0.264 610 P C -0.487 176.765 177.300 -0.080 0.000 1.183 610 P CA 0.224 63.243 63.100 -0.136 0.000 0.763 610 P CB 0.499 32.059 31.700 -0.233 0.000 0.807 611 D N 2.532 122.862 120.400 -0.117 0.000 2.363 611 D HA 0.031 4.671 4.640 -0.000 0.000 0.263 611 D C -0.105 176.168 176.300 -0.046 0.000 1.258 611 D CA 0.579 54.515 54.000 -0.106 0.000 0.907 611 D CB 0.225 40.922 40.800 -0.171 0.000 1.107 611 D HN 0.357 nan 8.370 nan 0.000 0.495 612 E N 1.687 121.889 120.200 0.004 0.000 2.299 612 E HA 0.768 5.117 4.350 -0.000 0.000 0.260 612 E C -0.665 175.942 176.600 0.011 0.000 0.944 612 E CA -1.087 55.346 56.400 0.055 0.000 0.815 612 E CB 1.694 31.468 29.700 0.122 0.000 1.252 612 E HN 0.480 nan 8.360 nan 0.000 0.418 613 G N 0.923 109.720 108.800 -0.006 0.000 2.579 613 G HA2 0.423 4.383 3.960 -0.000 0.000 0.292 613 G HA3 0.423 4.383 3.960 -0.000 0.000 0.292 613 G C -1.927 172.924 174.900 -0.081 0.000 1.484 613 G CA -0.672 44.428 45.100 -0.001 0.000 0.813 613 G HN 0.373 nan 8.290 nan 0.000 0.515 614 Q N -0.151 119.592 119.800 -0.096 0.000 2.331 614 Q HA 0.500 4.840 4.340 -0.000 0.000 0.272 614 Q C -0.730 175.062 176.000 -0.348 0.000 1.062 614 Q CA -0.914 54.688 55.803 -0.336 0.000 0.806 614 Q CB 2.507 30.969 28.738 -0.460 0.000 1.312 614 Q HN 0.524 nan 8.270 nan 0.000 0.431 615 N N 1.230 119.711 118.700 -0.365 0.000 2.457 615 N HA 0.247 4.986 4.740 -0.000 0.000 0.250 615 N C -1.756 173.622 175.510 -0.221 0.000 0.982 615 N CA -0.243 52.690 53.050 -0.194 0.000 0.941 615 N CB 0.466 38.901 38.487 -0.087 0.000 1.120 615 N HN 0.432 nan 8.380 nan 0.000 0.505 616 Y N 1.684 121.991 120.300 0.010 0.000 2.425 616 Y HA 0.308 4.858 4.550 -0.000 0.000 0.347 616 Y C 0.539 176.478 175.900 0.065 0.000 0.976 616 Y CA -0.421 57.703 58.100 0.041 0.000 1.190 616 Y CB 0.650 39.092 38.460 -0.029 0.000 1.136 616 Y HN 0.491 nan 8.280 nan 0.000 0.517 617 E N 3.397 123.711 120.200 0.191 0.000 2.288 617 E HA 0.746 5.095 4.350 -0.000 0.000 0.268 617 E C -1.650 174.915 176.600 -0.058 0.000 0.885 617 E CA -0.814 55.654 56.400 0.113 0.000 0.767 617 E CB 1.937 31.718 29.700 0.135 0.000 1.220 617 E HN 0.642 nan 8.360 nan 0.000 0.427 618 I N 2.728 123.214 120.570 -0.140 0.000 2.667 618 I HA 0.601 4.771 4.170 -0.000 0.000 0.288 618 I C -0.941 175.041 176.117 -0.226 0.000 1.267 618 I CA -0.169 60.958 61.300 -0.289 0.000 1.055 618 I CB 1.597 39.536 38.000 -0.102 0.000 1.294 618 I HN 0.664 nan 8.210 nan 0.000 0.429 619 G N 6.392 114.892 108.800 -0.500 0.000 2.600 619 G HA2 0.596 4.556 3.960 -0.000 0.000 0.293 619 G HA3 0.596 4.556 3.960 -0.000 0.000 0.293 619 G C -2.297 172.769 174.900 0.277 0.000 1.408 619 G CA -0.572 44.547 45.100 0.031 0.000 0.782 619 G HN 0.599 nan 8.290 nan 0.000 0.482 620 I N -0.230 120.530 120.570 0.317 0.000 2.545 620 I HA 0.665 4.834 4.170 -0.000 0.000 0.292 620 I C -0.592 175.675 176.117 0.250 0.000 1.040 620 I CA -0.915 60.548 61.300 0.273 0.000 1.068 620 I CB 1.843 39.923 38.000 0.134 0.000 1.251 620 I HN 0.457 nan 8.210 nan 0.000 0.424 621 K N 4.378 124.912 120.400 0.224 0.000 2.280 621 K HA 0.876 5.195 4.320 -0.000 0.000 0.234 621 K C -0.784 175.943 176.600 0.211 0.000 1.028 621 K CA -1.036 55.349 56.287 0.164 0.000 0.882 621 K CB 2.016 34.549 32.500 0.055 0.000 1.194 621 K HN 0.769 nan 8.250 nan 0.000 0.458 622 G N 1.404 110.313 108.800 0.182 0.000 2.635 622 G HA2 0.240 4.200 3.960 -0.000 0.000 0.295 622 G HA3 0.240 4.200 3.960 -0.000 0.000 0.295 622 G C -1.617 173.266 174.900 -0.029 0.000 1.359 622 G CA -0.668 44.481 45.100 0.082 0.000 1.232 622 G HN 0.595 nan 8.290 nan 0.000 0.597 623 E N 0.821 120.871 120.200 -0.249 0.000 2.221 623 E HA 0.765 5.114 4.350 -0.000 0.000 0.268 623 E C -1.591 174.788 176.600 -0.368 0.000 0.933 623 E CA -1.137 55.195 56.400 -0.113 0.000 0.809 623 E CB 2.190 31.868 29.700 -0.037 0.000 1.190 623 E HN 0.400 nan 8.360 nan 0.000 0.406 624 Y N 1.086 121.360 120.300 -0.043 0.000 2.361 624 Y HA 0.371 4.921 4.550 -0.000 0.000 0.328 624 Y C -0.664 175.223 175.900 -0.022 0.000 1.044 624 Y CA -1.677 56.395 58.100 -0.046 0.000 1.085 624 Y CB 1.512 39.948 38.460 -0.041 0.000 1.194 624 Y HN 0.564 nan 8.280 nan 0.000 0.438 625 L N 3.872 125.160 121.223 0.107 0.000 2.649 625 L HA -0.255 4.085 4.340 -0.000 0.000 0.719 625 L C 0.441 177.340 176.870 0.049 0.000 1.174 625 L CA 0.614 55.497 54.840 0.071 0.000 1.384 625 L CB -1.157 40.950 42.059 0.081 0.000 2.099 625 L HN 0.920 nan 8.230 nan 0.000 0.951 626 D N 0.757 121.172 120.400 0.026 0.000 2.673 626 D HA -0.260 4.380 4.640 -0.000 0.000 0.182 626 D C 1.149 177.463 176.300 0.024 0.000 1.212 626 D CA 3.217 57.229 54.000 0.019 0.000 1.088 626 D CB -0.345 40.468 40.800 0.022 0.000 1.101 626 D HN 1.401 nan 8.370 nan 0.000 0.409 627 G N -2.017 106.807 108.800 0.039 0.000 2.332 627 G HA2 -0.130 3.829 3.960 -0.000 0.000 0.216 627 G HA3 -0.130 3.829 3.960 -0.000 0.000 0.216 627 G C 0.584 175.518 174.900 0.056 0.000 1.041 627 G CA 0.396 45.523 45.100 0.045 0.000 0.836 627 G HN 0.294 nan 8.290 nan 0.000 0.530 628 R N -1.003 119.535 120.500 0.064 0.000 2.093 628 R HA 0.395 4.735 4.340 -0.000 0.000 0.224 628 R C 0.876 177.212 176.300 0.061 0.000 1.101 628 R CA 0.855 56.989 56.100 0.057 0.000 0.979 628 R CB 0.078 30.409 30.300 0.051 0.000 0.877 628 R HN 0.384 nan 8.270 nan 0.000 0.441 629 L N -0.058 121.220 121.223 0.091 0.000 2.365 629 L HA 0.435 4.775 4.340 -0.000 0.000 0.273 629 L C -1.484 175.494 176.870 0.180 0.000 1.000 629 L CA -0.511 54.379 54.840 0.083 0.000 0.819 629 L CB 1.914 43.967 42.059 -0.010 0.000 1.284 629 L HN 0.033 nan 8.230 nan 0.000 0.418 630 N N 1.446 120.230 118.700 0.140 0.000 2.478 630 N HA 0.630 5.370 4.740 -0.000 0.000 0.291 630 N C -1.402 174.196 175.510 0.147 0.000 1.090 630 N CA -0.361 52.787 53.050 0.163 0.000 0.911 630 N CB 1.537 40.080 38.487 0.094 0.000 1.546 630 N HN 0.779 nan 8.380 nan 0.000 0.500 631 T N -0.477 114.207 114.554 0.217 0.000 2.942 631 T HA 0.843 5.193 4.350 -0.000 0.000 0.289 631 T C -0.469 174.327 174.700 0.160 0.000 1.044 631 T CA -0.720 61.491 62.100 0.185 0.000 1.023 631 T CB 1.681 70.704 68.868 0.258 0.000 1.123 631 T HN 0.470 nan 8.240 nan 0.000 0.512 632 S N 0.737 116.515 115.700 0.130 0.000 2.669 632 S HA 0.501 4.971 4.470 -0.000 0.000 0.304 632 S C -1.490 173.182 174.600 0.120 0.000 1.021 632 S CA -1.123 57.154 58.200 0.128 0.000 0.854 632 S CB 0.398 63.655 63.200 0.095 0.000 1.048 632 S HN 1.815 nan 8.310 nan 0.000 0.452 633 L N 1.507 122.812 121.223 0.135 0.000 2.464 633 L HA 1.057 5.397 4.340 -0.000 0.000 0.266 633 L C -0.749 176.208 176.870 0.145 0.000 0.965 633 L CA -0.535 54.367 54.840 0.103 0.000 0.833 633 L CB 1.314 43.387 42.059 0.024 0.000 1.296 633 L HN 1.351 nan 8.230 nan 0.000 0.405 634 A N 2.726 125.627 122.820 0.136 0.000 2.564 634 A HA 0.833 5.153 4.320 -0.000 0.000 0.288 634 A C -2.120 175.474 177.584 0.016 0.000 1.164 634 A CA -0.554 51.587 52.037 0.173 0.000 0.712 634 A CB 1.399 20.590 19.000 0.318 0.000 1.303 634 A HN 0.688 nan 8.150 nan 0.000 0.418 635 Y N 0.347 120.705 120.300 0.096 0.000 2.328 635 Y HA 0.566 5.115 4.550 -0.000 0.000 0.336 635 Y C -0.462 175.473 175.900 0.059 0.000 0.960 635 Y CA -0.392 57.723 58.100 0.024 0.000 1.134 635 Y CB 1.528 39.974 38.460 -0.023 0.000 1.166 635 Y HN 0.601 nan 8.280 nan 0.000 0.464 636 F N 0.171 120.216 119.950 0.158 0.000 2.532 636 F HA 0.834 5.361 4.527 -0.000 0.000 0.321 636 F C -0.871 174.982 175.800 0.088 0.000 1.089 636 F CA -1.424 56.636 58.000 0.100 0.000 0.926 636 F CB 1.785 40.815 39.000 0.051 0.000 1.168 636 F HN 0.392 nan 8.300 nan 0.000 0.459 637 E N 3.818 124.146 120.200 0.213 0.000 2.278 637 E HA 0.591 4.940 4.350 -0.000 0.000 0.272 637 E C -1.647 175.013 176.600 0.101 0.000 0.890 637 E CA -0.626 55.837 56.400 0.104 0.000 0.770 637 E CB 1.964 31.690 29.700 0.044 0.000 1.212 637 E HN 0.776 nan 8.360 nan 0.000 0.415 638 I N 3.011 123.652 120.570 0.118 0.000 2.493 638 I HA 0.382 4.552 4.170 -0.000 0.000 0.298 638 I C -0.462 175.781 176.117 0.210 0.000 0.998 638 I CA -0.783 60.587 61.300 0.117 0.000 1.137 638 I CB 1.672 39.804 38.000 0.221 0.000 1.310 638 I HN 0.502 nan 8.210 nan 0.000 0.445 639 H N 4.026 123.230 119.070 0.223 0.000 2.646 639 H HA 0.331 4.887 4.556 -0.000 0.000 0.328 639 H C -0.952 174.485 175.328 0.181 0.000 0.998 639 H CA -0.667 55.509 56.048 0.213 0.000 1.225 639 H CB 1.981 31.906 29.762 0.272 0.000 1.457 639 H HN 0.538 nan 8.280 nan 0.000 0.505 640 E N 2.783 123.168 120.200 0.309 0.000 2.191 640 E HA 0.182 4.532 4.350 -0.000 0.000 0.278 640 E C -0.852 175.828 176.600 0.133 0.000 0.972 640 E CA -0.679 55.850 56.400 0.215 0.000 0.804 640 E CB 1.334 31.203 29.700 0.282 0.000 1.110 640 E HN 0.587 nan 8.360 nan 0.000 0.394 641 E N 1.843 122.093 120.200 0.084 0.000 2.212 641 E HA 0.254 4.604 4.350 -0.000 0.000 0.268 641 E C -1.059 175.551 176.600 0.017 0.000 0.902 641 E CA -0.535 55.899 56.400 0.058 0.000 0.779 641 E CB 1.161 30.903 29.700 0.069 0.000 1.172 641 E HN 0.522 nan 8.360 nan 0.000 0.409 642 N N 1.588 120.293 118.700 0.007 0.000 2.705 642 N HA -0.268 4.472 4.740 -0.000 0.000 0.255 642 N C -0.762 174.709 175.510 -0.066 0.000 1.008 642 N CA 0.311 53.346 53.050 -0.025 0.000 0.742 642 N CB -0.718 37.752 38.487 -0.028 0.000 0.906 642 N HN 0.324 nan 8.380 nan 0.000 0.541 643 R N 0.956 121.427 120.500 -0.048 0.000 2.491 643 R HA 0.400 4.740 4.340 -0.000 0.000 0.283 643 R C 0.050 176.263 176.300 -0.145 0.000 1.072 643 R CA -0.068 55.983 56.100 -0.081 0.000 1.048 643 R CB 0.511 30.810 30.300 -0.003 0.000 0.983 643 R HN 0.284 nan 8.270 nan 0.000 0.450 644 A N 4.554 127.202 122.820 -0.286 0.000 2.457 644 A HA 0.101 4.421 4.320 -0.000 0.000 0.298 644 A C -0.230 177.193 177.584 -0.269 0.000 1.288 644 A CA -0.237 51.534 52.037 -0.443 0.000 0.956 644 A CB 0.083 18.445 19.000 -1.063 0.000 1.135 644 A HN 0.792 nan 8.150 nan 0.000 0.535 645 E N 2.861 123.013 120.200 -0.081 0.000 2.183 645 E HA 0.395 4.745 4.350 -0.000 0.000 0.271 645 E C -0.190 176.533 176.600 0.204 0.000 0.919 645 E CA -0.644 55.789 56.400 0.055 0.000 0.781 645 E CB 0.761 30.497 29.700 0.059 0.000 1.140 645 E HN 0.691 nan 8.360 nan 0.000 0.402 646 E N 3.667 124.058 120.200 0.317 0.000 2.415 646 E HA -0.013 4.336 4.350 -0.000 0.000 0.260 646 E C -0.276 176.458 176.600 0.224 0.000 1.016 646 E CA -0.410 56.200 56.400 0.350 0.000 0.924 646 E CB 0.535 30.466 29.700 0.385 0.000 0.961 646 E HN 0.461 nan 8.360 nan 0.000 0.459 647 D N 2.607 123.107 120.400 0.166 0.000 2.449 647 D HA -0.033 4.607 4.640 -0.000 0.000 0.236 647 D C 0.202 176.630 176.300 0.215 0.000 1.149 647 D CA 0.634 54.731 54.000 0.161 0.000 0.878 647 D CB 1.393 42.259 40.800 0.110 0.000 1.198 647 D HN 0.563 nan 8.370 nan 0.000 0.446 648 A N 3.582 126.483 122.820 0.136 0.000 1.919 648 A HA -0.029 4.291 4.320 -0.000 0.000 0.211 648 A C 2.011 179.645 177.584 0.084 0.000 1.310 648 A CA 0.082 52.176 52.037 0.094 0.000 0.651 648 A CB -0.840 18.193 19.000 0.054 0.000 0.996 648 A HN 0.549 nan 8.150 nan 0.000 0.479 649 L N -0.984 120.292 121.223 0.088 0.000 2.263 649 L HA -0.104 4.235 4.340 -0.000 0.000 0.216 649 L C 0.199 177.177 176.870 0.180 0.000 1.111 649 L CA 1.025 55.923 54.840 0.096 0.000 0.773 649 L CB -0.552 41.561 42.059 0.090 0.000 0.906 649 L HN 0.387 nan 8.230 nan 0.000 0.439 650 Y N 0.710 121.010 120.300 -0.001 0.000 2.402 650 Y HA 0.217 4.767 4.550 -0.000 0.000 0.333 650 Y C 1.178 177.033 175.900 -0.076 0.000 1.076 650 Y CA -0.106 57.991 58.100 -0.006 0.000 1.299 650 Y CB 0.329 38.822 38.460 0.055 0.000 1.197 650 Y HN 0.462 nan 8.280 nan 0.000 0.517 651 N N -1.118 117.441 118.700 -0.235 0.000 2.476 651 N HA -0.114 4.626 4.740 -0.000 0.000 0.327 651 N C -0.369 174.980 175.510 -0.268 0.000 0.880 651 N CA 0.238 53.133 53.050 -0.259 0.000 1.291 651 N CB -0.507 37.866 38.487 -0.191 0.000 2.379 651 N HN 0.228 nan 8.380 nan 0.000 1.159 652 S N 1.136 116.694 115.700 -0.237 0.000 3.965 652 S HA 0.225 4.694 4.470 -0.000 0.000 0.195 652 S C -0.627 173.782 174.600 -0.318 0.000 1.449 652 S CA -0.703 57.385 58.200 -0.186 0.000 0.965 652 S CB -0.496 62.654 63.200 -0.084 0.000 1.459 652 S HN 0.252 nan 8.310 nan 0.000 0.476 653 K N 2.793 122.923 120.400 -0.451 0.000 2.294 653 K HA 0.223 4.543 4.320 -0.000 0.000 0.288 653 K C -2.676 173.778 176.600 -0.242 0.000 1.072 653 K CA -1.425 54.500 56.287 -0.603 0.000 0.960 653 K CB -0.087 32.118 32.500 -0.491 0.000 1.043 653 K HN 0.215 nan 8.250 nan 0.000 0.455 654 P HA -0.036 nan 4.420 nan 0.000 0.252 654 P C -0.435 176.881 177.300 0.027 0.000 1.694 654 P CA -0.096 63.009 63.100 0.008 0.000 1.163 654 P CB 0.169 31.920 31.700 0.085 0.000 1.934 655 T N 3.646 118.191 114.554 -0.016 0.000 2.367 655 T HA -0.118 4.231 4.350 -0.000 0.000 0.207 655 T C 0.255 174.978 174.700 0.039 0.000 1.065 655 T CA 0.855 62.956 62.100 0.003 0.000 1.252 655 T CB -0.861 68.002 68.868 -0.010 0.000 1.023 655 T HN 0.267 nan 8.240 nan 0.000 0.462 656 N N 5.133 123.870 118.700 0.062 0.000 3.038 656 N HA 0.351 5.090 4.740 -0.000 0.000 0.307 656 N C -2.051 173.498 175.510 0.066 0.000 1.441 656 N CA -1.573 51.520 53.050 0.071 0.000 0.772 656 N CB 1.301 39.849 38.487 0.102 0.000 1.651 656 N HN 0.172 nan 8.380 nan 0.000 0.593 657 P HA -0.090 nan 4.420 nan 0.000 0.215 657 P C 0.589 177.933 177.300 0.074 0.000 1.157 657 P CA 1.776 64.911 63.100 0.059 0.000 0.874 657 P CB 0.003 31.737 31.700 0.056 0.000 0.790 658 A N -1.087 121.792 122.820 0.099 0.000 2.236 658 A HA -0.022 4.298 4.320 -0.000 0.000 0.214 658 A C 1.726 179.397 177.584 0.145 0.000 1.287 658 A CA -0.071 52.042 52.037 0.127 0.000 0.909 658 A CB -1.821 17.269 19.000 0.149 0.000 0.839 658 A HN 0.183 nan 8.150 nan 0.000 0.486 659 I N 0.455 121.084 120.570 0.098 0.000 2.421 659 I HA -0.428 3.741 4.170 -0.000 0.000 0.218 659 I C 2.574 178.712 176.117 0.034 0.000 0.949 659 I CA 2.842 64.174 61.300 0.053 0.000 1.269 659 I CB -0.883 37.127 38.000 0.016 0.000 0.974 659 I HN 0.606 nan 8.210 nan 0.000 0.373 660 T N -0.281 114.292 114.554 0.031 0.000 2.082 660 T HA -0.360 3.989 4.350 -0.000 0.000 0.180 660 T C 0.531 175.281 174.700 0.083 0.000 1.782 660 T CA 1.877 63.995 62.100 0.031 0.000 1.083 660 T CB -1.056 67.849 68.868 0.062 0.000 0.848 660 T HN 0.512 nan 8.240 nan 0.000 0.395 661 Y N 2.343 122.637 120.300 -0.010 0.000 2.485 661 Y HA 0.674 5.224 4.550 -0.000 0.000 0.345 661 Y C -0.489 175.411 175.900 -0.000 0.000 0.998 661 Y CA -2.129 55.951 58.100 -0.034 0.000 1.059 661 Y CB 1.687 40.081 38.460 -0.111 0.000 1.234 661 Y HN 0.897 nan 8.280 nan 0.000 0.461 662 A N 4.486 127.483 122.820 0.295 0.000 2.517 662 A HA 0.698 5.018 4.320 -0.000 0.000 0.297 662 A C -2.254 175.178 177.584 -0.253 0.000 1.050 662 A CA -0.543 51.486 52.037 -0.012 0.000 0.694 662 A CB 0.797 19.912 19.000 0.193 0.000 1.277 662 A HN 0.641 nan 8.150 nan 0.000 0.400 663 Y N 1.324 121.595 120.300 -0.048 0.000 2.545 663 Y HA 0.689 5.239 4.550 -0.000 0.000 0.324 663 Y C 0.802 176.689 175.900 -0.023 0.000 1.220 663 Y CA -0.584 57.489 58.100 -0.046 0.000 1.290 663 Y CB 1.233 39.672 38.460 -0.036 0.000 1.355 663 Y HN 0.757 nan 8.280 nan 0.000 0.516 664 K N -0.286 120.199 120.400 0.143 0.000 2.378 664 K HA 0.828 5.148 4.320 -0.000 0.000 0.244 664 K C -0.863 175.750 176.600 0.022 0.000 1.039 664 K CA -1.098 55.221 56.287 0.055 0.000 0.863 664 K CB 2.060 34.577 32.500 0.029 0.000 1.326 664 K HN 0.828 nan 8.250 nan 0.000 0.460 665 G N 1.891 110.691 108.800 0.001 0.000 2.671 665 G HA2 0.457 4.417 3.960 -0.000 0.000 0.318 665 G HA3 0.457 4.417 3.960 -0.000 0.000 0.318 665 G C -1.304 173.593 174.900 -0.006 0.000 1.250 665 G CA -0.636 44.451 45.100 -0.022 0.000 1.028 665 G HN 0.593 nan 8.290 nan 0.000 0.501 666 I N 1.026 121.595 120.570 -0.001 0.000 2.750 666 I HA 0.526 4.695 4.170 -0.000 0.000 0.308 666 I C -0.198 175.931 176.117 0.021 0.000 1.016 666 I CA -1.229 60.080 61.300 0.014 0.000 1.098 666 I CB 1.989 40.003 38.000 0.024 0.000 1.279 666 I HN 0.272 nan 8.210 nan 0.000 0.454 667 K N 4.795 125.212 120.400 0.029 0.000 2.237 667 K HA 0.629 4.949 4.320 -0.000 0.000 0.270 667 K C -0.795 175.839 176.600 0.057 0.000 1.015 667 K CA -0.407 55.905 56.287 0.043 0.000 0.949 667 K CB 1.209 33.727 32.500 0.030 0.000 0.976 667 K HN 0.583 nan 8.250 nan 0.000 0.472 668 A N 2.375 125.251 122.820 0.093 0.000 2.413 668 A HA 0.573 4.892 4.320 -0.000 0.000 0.307 668 A C -1.219 176.451 177.584 0.143 0.000 1.087 668 A CA -0.736 51.367 52.037 0.110 0.000 0.750 668 A CB 1.422 20.511 19.000 0.149 0.000 1.296 668 A HN 0.642 nan 8.150 nan 0.000 0.423 669 K N 0.567 121.036 120.400 0.115 0.000 2.443 669 K HA 0.629 4.949 4.320 -0.000 0.000 0.252 669 K C -1.575 175.081 176.600 0.093 0.000 0.933 669 K CA -0.209 56.183 56.287 0.175 0.000 0.792 669 K CB 2.089 34.670 32.500 0.135 0.000 1.185 669 K HN 0.626 nan 8.250 nan 0.000 0.425 670 T N 4.307 118.926 114.554 0.108 0.000 2.890 670 T HA 0.322 4.672 4.350 -0.000 0.000 0.295 670 T C -1.586 173.141 174.700 0.046 0.000 0.993 670 T CA -0.756 61.337 62.100 -0.012 0.000 0.979 670 T CB 0.650 69.416 68.868 -0.170 0.000 0.967 670 T HN 0.601 nan 8.240 nan 0.000 0.441 671 K N 1.939 122.321 120.400 -0.031 0.000 2.427 671 K HA 0.902 5.222 4.320 -0.000 0.000 0.252 671 K C -0.447 175.958 176.600 -0.325 0.000 0.931 671 K CA -1.094 55.121 56.287 -0.121 0.000 0.793 671 K CB 2.475 34.958 32.500 -0.028 0.000 1.211 671 K HN 0.679 nan 8.250 nan 0.000 0.426 672 G N 1.415 109.751 108.800 -0.775 0.000 2.451 672 G HA2 0.382 4.342 3.960 -0.000 0.000 0.292 672 G HA3 0.382 4.342 3.960 -0.000 0.000 0.292 672 G C -2.065 172.063 174.900 -1.288 0.000 1.427 672 G CA -0.953 43.617 45.100 -0.884 0.000 0.792 672 G HN 0.647 nan 8.290 nan 0.000 0.498 673 Y N -1.052 118.929 120.300 -0.531 0.000 2.587 673 Y HA 0.902 5.452 4.550 -0.000 0.000 0.337 673 Y C -0.240 175.705 175.900 0.074 0.000 1.065 673 Y CA -1.502 56.365 58.100 -0.389 0.000 1.126 673 Y CB 2.182 40.301 38.460 -0.569 0.000 1.279 673 Y HN 0.721 nan 8.280 nan 0.000 0.489 674 E N 1.024 121.447 120.200 0.372 0.000 2.352 674 E HA 0.766 5.116 4.350 -0.000 0.000 0.280 674 E C -2.049 174.689 176.600 0.230 0.000 0.930 674 E CA -1.094 55.508 56.400 0.337 0.000 0.765 674 E CB 2.158 32.032 29.700 0.290 0.000 1.219 674 E HN 1.106 nan 8.360 nan 0.000 0.434 675 A N 3.457 126.407 122.820 0.217 0.000 2.488 675 A HA 0.669 4.989 4.320 -0.000 0.000 0.298 675 A C -1.537 176.121 177.584 0.123 0.000 1.044 675 A CA -0.561 51.561 52.037 0.142 0.000 0.693 675 A CB 1.482 20.541 19.000 0.099 0.000 1.272 675 A HN 0.659 nan 8.150 nan 0.000 0.402 676 E N 1.934 122.185 120.200 0.086 0.000 2.381 676 E HA 0.581 4.931 4.350 -0.000 0.000 0.286 676 E C -1.689 174.942 176.600 0.053 0.000 0.960 676 E CA -0.653 55.786 56.400 0.064 0.000 0.793 676 E CB 1.408 31.138 29.700 0.049 0.000 1.225 676 E HN 0.729 nan 8.360 nan 0.000 0.420 677 I N 1.930 122.522 120.570 0.037 0.000 2.822 677 I HA 0.676 4.845 4.170 -0.000 0.000 0.312 677 I C -1.201 174.935 176.117 0.030 0.000 1.011 677 I CA -0.565 60.752 61.300 0.028 0.000 1.105 677 I CB 1.770 39.763 38.000 -0.012 0.000 1.291 677 I HN 0.814 nan 8.210 nan 0.000 0.474 678 S N 4.259 119.980 115.700 0.035 0.000 2.584 678 S HA 0.764 5.234 4.470 -0.000 0.000 0.282 678 S C -0.749 173.888 174.600 0.061 0.000 1.138 678 S CA 0.068 58.306 58.200 0.062 0.000 0.987 678 S CB 0.889 64.130 63.200 0.068 0.000 1.137 678 S HN 1.500 nan 8.310 nan 0.000 0.457 679 G N 1.907 110.743 108.800 0.059 0.000 2.350 679 G HA2 0.250 4.209 3.960 -0.000 0.000 0.276 679 G HA3 0.250 4.209 3.960 -0.000 0.000 0.276 679 G C -1.425 173.465 174.900 -0.016 0.000 1.313 679 G CA -0.452 44.670 45.100 0.037 0.000 0.903 679 G HN 0.919 nan 8.290 nan 0.000 0.490 680 E N 0.330 120.527 120.200 -0.004 0.000 1.881 680 E HA 0.233 4.582 4.350 -0.000 0.000 0.264 680 E C 1.322 177.909 176.600 -0.021 0.000 1.243 680 E CA -0.433 55.969 56.400 0.005 0.000 0.965 680 E CB 0.265 29.984 29.700 0.032 0.000 1.055 680 E HN 0.427 nan 8.360 nan 0.000 0.412 681 L N 4.339 125.518 121.223 -0.073 0.000 2.291 681 L HA 0.052 4.392 4.340 -0.000 0.000 0.214 681 L C 0.550 177.445 176.870 0.041 0.000 1.120 681 L CA 1.841 56.570 54.840 -0.186 0.000 0.799 681 L CB -0.072 41.611 42.059 -0.627 0.000 0.925 681 L HN 0.622 nan 8.230 nan 0.000 0.446 682 A N -1.482 121.482 122.820 0.239 0.000 3.117 682 A HA 0.421 4.741 4.320 -0.000 0.000 0.158 682 A C -1.906 175.817 177.584 0.232 0.000 1.138 682 A CA 0.428 52.650 52.037 0.308 0.000 2.059 682 A CB -0.852 18.483 19.000 0.559 0.000 2.607 682 A HN 0.036 nan 8.150 nan 0.000 1.059 683 P HA 0.194 nan 4.420 nan 0.000 0.215 683 P C 0.794 178.186 177.300 0.154 0.000 1.144 683 P CA 1.752 64.956 63.100 0.173 0.000 0.874 683 P CB 0.394 32.190 31.700 0.161 0.000 0.796 684 G N -1.104 107.824 108.800 0.213 0.000 4.803 684 G HA2 0.206 4.166 3.960 -0.000 0.000 0.266 684 G HA3 0.206 4.166 3.960 -0.000 0.000 0.266 684 G C -1.507 173.563 174.900 0.284 0.000 1.111 684 G CA -0.072 45.103 45.100 0.124 0.000 0.874 684 G HN 0.046 nan 8.290 nan 0.000 0.555 685 W N 2.154 123.549 121.300 0.159 0.000 2.294 685 W HA 0.636 5.296 4.660 -0.000 0.000 0.314 685 W C -0.781 175.737 176.519 -0.002 0.000 1.044 685 W CA -1.425 56.023 57.345 0.172 0.000 1.284 685 W CB 1.407 30.942 29.460 0.124 0.000 1.231 685 W HN -0.003 nan 8.180 nan 0.000 0.419 686 Q N 3.763 123.650 119.800 0.144 0.000 2.282 686 Q HA 0.650 4.990 4.340 -0.000 0.000 0.260 686 Q C -1.123 174.810 176.000 -0.113 0.000 0.964 686 Q CA -0.735 54.918 55.803 -0.250 0.000 0.880 686 Q CB 2.707 30.854 28.738 -0.986 0.000 1.286 686 Q HN 0.359 nan 8.270 nan 0.000 0.445 687 V N 2.475 122.373 119.914 -0.026 0.000 2.891 687 V HA 0.455 4.575 4.120 -0.000 0.000 0.304 687 V C -1.783 174.414 176.094 0.173 0.000 1.171 687 V CA -0.380 61.974 62.300 0.089 0.000 0.943 687 V CB 2.311 34.004 31.823 -0.218 0.000 1.037 687 V HN 0.839 nan 8.190 nan 0.000 0.427 688 Q N 4.609 124.545 119.800 0.225 0.000 2.263 688 Q HA 0.842 5.182 4.340 -0.000 0.000 0.266 688 Q C -1.381 174.673 176.000 0.089 0.000 1.002 688 Q CA -0.148 55.738 55.803 0.138 0.000 0.790 688 Q CB 2.107 30.921 28.738 0.126 0.000 1.272 688 Q HN 1.313 nan 8.270 nan 0.000 0.435 689 A N 2.073 124.919 122.820 0.043 0.000 2.612 689 A HA 0.976 5.295 4.320 -0.000 0.000 0.293 689 A C -1.165 176.437 177.584 0.032 0.000 1.075 689 A CA -0.080 51.967 52.037 0.015 0.000 0.680 689 A CB 1.943 20.941 19.000 -0.004 0.000 1.279 689 A HN 0.802 nan 8.150 nan 0.000 0.411 690 G N -1.045 107.777 108.800 0.037 0.000 2.698 690 G HA2 0.601 4.560 3.960 -0.000 0.000 0.293 690 G HA3 0.601 4.560 3.960 -0.000 0.000 0.293 690 G C -2.144 172.831 174.900 0.125 0.000 1.437 690 G CA -0.392 44.752 45.100 0.075 0.000 0.852 690 G HN 1.463 nan 8.290 nan 0.000 0.499 691 Y N 0.567 120.884 120.300 0.028 0.000 2.477 691 Y HA 0.746 5.295 4.550 -0.000 0.000 0.347 691 Y C -0.549 175.390 175.900 0.064 0.000 0.981 691 Y CA -0.608 57.521 58.100 0.048 0.000 1.033 691 Y CB 2.594 41.103 38.460 0.081 0.000 1.245 691 Y HN 0.609 nan 8.280 nan 0.000 0.455 692 T N 4.498 118.857 114.554 -0.326 0.000 2.991 692 T HA 0.200 4.550 4.350 -0.000 0.000 0.303 692 T C -1.943 172.529 174.700 -0.379 0.000 1.015 692 T CA -0.596 61.407 62.100 -0.162 0.000 1.007 692 T CB 0.650 69.442 68.868 -0.127 0.000 1.034 692 T HN 0.674 nan 8.240 nan 0.000 0.446 693 H N 2.780 121.539 119.070 -0.518 0.000 2.581 693 H HA 0.626 5.182 4.556 -0.000 0.000 0.308 693 H C -0.285 174.755 175.328 -0.481 0.000 1.040 693 H CA -0.507 55.152 56.048 -0.650 0.000 1.231 693 H CB 0.658 29.672 29.762 -1.247 0.000 1.396 693 H HN 0.422 nan 8.280 nan 0.000 0.467 694 K N 6.221 126.219 120.400 -0.670 0.000 2.375 694 K HA 0.432 4.752 4.320 -0.000 0.000 0.249 694 K C -1.911 174.350 176.600 -0.565 0.000 0.942 694 K CA -0.721 55.265 56.287 -0.502 0.000 0.806 694 K CB 1.501 33.843 32.500 -0.264 0.000 1.227 694 K HN 0.557 nan 8.250 nan 0.000 0.430 695 I N 4.003 124.332 120.570 -0.402 0.000 2.722 695 I HA 0.466 4.636 4.170 -0.000 0.000 0.292 695 I C -1.029 174.973 176.117 -0.193 0.000 1.267 695 I CA -0.837 60.294 61.300 -0.281 0.000 1.036 695 I CB 1.873 39.736 38.000 -0.229 0.000 1.281 695 I HN 0.798 nan 8.210 nan 0.000 0.423 696 I N 7.221 127.690 120.570 -0.168 0.000 2.571 696 I HA 0.555 4.724 4.170 -0.000 0.000 0.289 696 I C -1.293 174.777 176.117 -0.077 0.000 1.115 696 I CA -0.354 60.861 61.300 -0.143 0.000 1.045 696 I CB 1.432 39.285 38.000 -0.245 0.000 1.238 696 I HN 0.726 nan 8.210 nan 0.000 0.424 697 R N 4.066 124.549 120.500 -0.029 0.000 2.817 697 R HA 0.628 4.968 4.340 -0.000 0.000 0.268 697 R C -1.908 174.408 176.300 0.026 0.000 1.027 697 R CA -0.960 55.144 56.100 0.006 0.000 0.928 697 R CB 1.324 31.636 30.300 0.020 0.000 1.228 697 R HN 0.432 nan 8.270 nan 0.000 0.469 698 D N -0.166 120.256 120.400 0.037 0.000 2.256 698 D HA 0.143 4.783 4.640 -0.000 0.000 0.240 698 D C -0.680 175.641 176.300 0.036 0.000 1.062 698 D CA -0.653 53.373 54.000 0.043 0.000 0.832 698 D CB 1.406 42.236 40.800 0.050 0.000 1.135 698 D HN 0.680 nan 8.370 nan 0.000 0.484 699 D N 2.109 122.527 120.400 0.029 0.000 8.123 699 D HA -0.260 4.380 4.640 -0.000 0.000 0.129 699 D C -0.224 176.089 176.300 0.021 0.000 1.103 699 D CA 1.144 55.156 54.000 0.019 0.000 0.894 699 D CB -0.330 40.481 40.800 0.018 0.000 1.688 699 D HN 0.469 nan 8.370 nan 0.000 0.961 700 S N 1.242 116.953 115.700 0.017 0.000 3.420 700 S HA -0.183 4.287 4.470 -0.000 0.000 0.367 700 S C 0.717 175.333 174.600 0.027 0.000 1.063 700 S CA 0.714 58.926 58.200 0.019 0.000 1.073 700 S CB -1.281 61.928 63.200 0.015 0.000 0.905 700 S HN 0.846 nan 8.310 nan 0.000 0.485 701 G N 0.646 109.465 108.800 0.033 0.000 2.890 701 G HA2 0.644 4.604 3.960 -0.000 0.000 0.189 701 G HA3 0.644 4.604 3.960 -0.000 0.000 0.189 701 G C -0.174 174.756 174.900 0.049 0.000 1.342 701 G CA -0.666 44.460 45.100 0.043 0.000 1.026 701 G HN 0.509 nan 8.290 nan 0.000 0.579 702 K N -0.413 120.025 120.400 0.063 0.000 2.179 702 K HA 0.477 4.797 4.320 -0.000 0.000 0.238 702 K C -0.620 176.026 176.600 0.076 0.000 1.033 702 K CA -0.658 55.677 56.287 0.080 0.000 0.926 702 K CB 0.975 33.536 32.500 0.103 0.000 1.151 702 K HN 0.156 nan 8.250 nan 0.000 0.492 703 K N 1.214 121.681 120.400 0.112 0.000 2.284 703 K HA 0.168 4.488 4.320 -0.000 0.000 0.287 703 K C -0.593 176.033 176.600 0.043 0.000 1.081 703 K CA -0.525 55.819 56.287 0.095 0.000 0.910 703 K CB 1.494 34.127 32.500 0.222 0.000 1.088 703 K HN 0.377 nan 8.250 nan 0.000 0.478 704 V N 2.200 122.100 119.914 -0.023 0.000 2.973 704 V HA 0.134 4.254 4.120 -0.000 0.000 0.314 704 V C 0.259 176.261 176.094 -0.153 0.000 1.066 704 V CA 0.162 62.433 62.300 -0.048 0.000 1.021 704 V CB 1.442 33.258 31.823 -0.012 0.000 1.076 704 V HN 0.979 nan 8.190 nan 0.000 0.462 705 S N 1.633 117.237 115.700 -0.160 0.000 3.561 705 S HA -0.202 4.267 4.470 -0.000 0.000 0.318 705 S C 1.222 175.542 174.600 -0.468 0.000 1.181 705 S CA 1.290 59.322 58.200 -0.280 0.000 0.916 705 S CB -1.937 61.067 63.200 -0.327 0.000 0.966 705 S HN 1.563 nan 8.310 nan 0.000 0.550 706 T N -2.290 111.961 114.554 -0.505 0.000 2.969 706 T HA -0.181 4.168 4.350 -0.000 0.000 0.271 706 T C 1.139 175.281 174.700 -0.930 0.000 1.127 706 T CA 1.229 62.713 62.100 -1.027 0.000 1.102 706 T CB -0.415 67.624 68.868 -1.381 0.000 0.855 706 T HN 0.763 nan 8.240 nan 0.000 0.536 707 W N 1.659 122.513 121.300 -0.743 0.000 2.576 707 W HA 0.229 4.888 4.660 -0.000 0.000 0.275 707 W C 0.831 176.939 176.519 -0.684 0.000 1.241 707 W CA 0.078 57.071 57.345 -0.587 0.000 1.328 707 W CB 0.183 29.446 29.460 -0.328 0.000 1.092 707 W HN 0.312 nan 8.180 nan 0.000 0.586 708 E N 2.710 122.385 120.200 -0.874 0.000 1.944 708 E HA 0.100 4.450 4.350 -0.000 0.000 0.272 708 E C -2.200 173.976 176.600 -0.707 0.000 1.195 708 E CA -2.054 53.794 56.400 -0.920 0.000 0.926 708 E CB 0.329 29.384 29.700 -1.075 0.000 1.051 708 E HN -0.173 nan 8.360 nan 0.000 0.404 709 P HA -0.165 nan 4.420 nan 0.000 0.263 709 P C -0.123 176.885 177.300 -0.487 0.000 1.162 709 P CA 0.648 63.392 63.100 -0.594 0.000 0.758 709 P CB 0.489 31.798 31.700 -0.652 0.000 0.773 710 Q N 0.742 120.311 119.800 -0.386 0.000 2.291 710 Q HA -0.051 4.289 4.340 -0.000 0.000 0.205 710 Q C -0.030 175.773 176.000 -0.328 0.000 0.970 710 Q CA 1.164 56.764 55.803 -0.338 0.000 0.876 710 Q CB 0.080 28.701 28.738 -0.196 0.000 0.935 710 Q HN 0.558 nan 8.270 nan 0.000 0.455 711 D N 0.047 120.248 120.400 -0.332 0.000 2.934 711 D HA 0.182 4.822 4.640 -0.000 0.000 0.230 711 D C -0.981 175.005 176.300 -0.523 0.000 1.204 711 D CA -0.343 53.425 54.000 -0.386 0.000 0.873 711 D CB 1.783 42.506 40.800 -0.129 0.000 1.645 711 D HN 0.045 nan 8.370 nan 0.000 0.502 712 Q N 0.353 119.762 119.800 -0.651 0.000 2.284 712 Q HA 0.603 4.943 4.340 -0.000 0.000 0.269 712 Q C -1.867 173.898 176.000 -0.392 0.000 1.026 712 Q CA -1.071 54.425 55.803 -0.513 0.000 0.831 712 Q CB 2.464 30.932 28.738 -0.450 0.000 1.322 712 Q HN 0.249 nan 8.270 nan 0.000 0.419 713 L N 1.844 122.994 121.223 -0.123 0.000 2.319 713 L HA 0.667 5.007 4.340 -0.000 0.000 0.281 713 L C -1.399 175.459 176.870 -0.021 0.000 1.005 713 L CA -0.002 54.866 54.840 0.047 0.000 0.828 713 L CB 2.084 44.264 42.059 0.201 0.000 1.227 713 L HN 0.792 nan 8.230 nan 0.000 0.415 714 S N 5.808 121.489 115.700 -0.032 0.000 2.502 714 S HA 0.826 5.296 4.470 -0.000 0.000 0.304 714 S C -1.192 173.304 174.600 -0.173 0.000 1.097 714 S CA -0.455 57.665 58.200 -0.133 0.000 1.045 714 S CB 1.589 64.736 63.200 -0.089 0.000 1.019 714 S HN 0.613 nan 8.310 nan 0.000 0.481 715 L N 3.770 124.751 121.223 -0.404 0.000 2.528 715 L HA 0.624 4.963 4.340 -0.000 0.000 0.267 715 L C -2.351 174.203 176.870 -0.528 0.000 0.961 715 L CA -0.245 54.420 54.840 -0.292 0.000 0.866 715 L CB 0.939 42.958 42.059 -0.068 0.000 1.248 715 L HN 0.624 nan 8.230 nan 0.000 0.404 716 Y N 2.665 123.008 120.300 0.071 0.000 2.425 716 Y HA 0.820 5.369 4.550 -0.000 0.000 0.344 716 Y C 0.158 176.221 175.900 0.271 0.000 0.969 716 Y CA -0.706 57.446 58.100 0.085 0.000 1.052 716 Y CB 2.555 40.855 38.460 -0.267 0.000 1.215 716 Y HN 0.621 nan 8.280 nan 0.000 0.451 717 T N 1.640 116.561 114.554 0.613 0.000 2.932 717 T HA 0.667 5.017 4.350 -0.000 0.000 0.318 717 T C -1.437 173.607 174.700 0.574 0.000 1.265 717 T CA -0.602 61.832 62.100 0.557 0.000 1.036 717 T CB 0.926 70.014 68.868 0.367 0.000 1.209 717 T HN 0.759 nan 8.240 nan 0.000 0.484 718 S N 3.327 119.308 115.700 0.468 0.000 2.549 718 S HA 0.782 5.252 4.470 -0.000 0.000 0.280 718 S C -1.804 173.006 174.600 0.350 0.000 1.109 718 S CA -0.729 57.656 58.200 0.308 0.000 0.905 718 S CB 1.867 65.181 63.200 0.189 0.000 1.081 718 S HN 0.806 nan 8.310 nan 0.000 0.477 719 Y N 1.441 121.763 120.300 0.036 0.000 2.406 719 Y HA 0.598 5.148 4.550 -0.000 0.000 0.340 719 Y C -0.607 175.166 175.900 -0.213 0.000 0.975 719 Y CA -0.875 57.186 58.100 -0.064 0.000 1.056 719 Y CB 1.731 40.075 38.460 -0.193 0.000 1.210 719 Y HN 0.959 nan 8.280 nan 0.000 0.448 720 K N 4.539 124.548 120.400 -0.651 0.000 2.118 720 K HA 0.460 4.779 4.320 -0.000 0.000 0.267 720 K C -1.188 174.884 176.600 -0.879 0.000 0.991 720 K CA -0.526 55.380 56.287 -0.636 0.000 0.916 720 K CB 0.668 32.962 32.500 -0.344 0.000 1.041 720 K HN 0.468 nan 8.250 nan 0.000 0.455 721 F N 1.961 121.601 119.950 -0.518 0.000 2.370 721 F HA 0.347 4.873 4.527 -0.000 0.000 0.319 721 F C 0.716 176.358 175.800 -0.264 0.000 1.129 721 F CA -0.791 56.961 58.000 -0.414 0.000 1.109 721 F CB 0.741 39.639 39.000 -0.169 0.000 1.262 721 F HN 0.286 nan 8.300 nan 0.000 0.534 722 K N 0.306 120.735 120.400 0.049 0.000 2.118 722 K HA 0.431 4.751 4.320 -0.000 0.000 0.267 722 K C 1.043 177.650 176.600 0.011 0.000 0.991 722 K CA 0.099 56.392 56.287 0.009 0.000 0.916 722 K CB 1.055 33.564 32.500 0.016 0.000 1.041 722 K HN 0.733 nan 8.250 nan 0.000 0.455 723 G N 2.362 111.164 108.800 0.003 0.000 2.860 723 G HA2 -0.508 3.452 3.960 -0.000 0.000 0.347 723 G HA3 -0.508 3.452 3.960 -0.000 0.000 0.347 723 G C 1.261 176.169 174.900 0.013 0.000 1.146 723 G CA 1.998 47.100 45.100 0.003 0.000 1.064 723 G HN 0.832 nan 8.290 nan 0.000 0.857 724 A N -0.262 122.560 122.820 0.003 0.000 1.827 724 A HA -0.141 4.179 4.320 -0.000 0.000 0.262 724 A C 1.879 179.489 177.584 0.045 0.000 2.408 724 A CA 3.779 55.819 52.037 0.006 0.000 0.827 724 A CB -0.939 18.044 19.000 -0.029 0.000 0.840 724 A HN 1.687 nan 8.150 nan 0.000 0.513 725 L N -2.305 118.969 121.223 0.084 0.000 2.861 725 L HA 0.336 4.675 4.340 -0.000 0.000 0.290 725 L C 0.277 177.234 176.870 0.145 0.000 1.346 725 L CA 0.240 55.173 54.840 0.154 0.000 0.779 725 L CB 0.737 42.943 42.059 0.246 0.000 1.143 725 L HN 0.349 nan 8.230 nan 0.000 0.548 726 D N 0.728 121.161 120.400 0.056 0.000 2.390 726 D HA -0.166 4.474 4.640 -0.000 0.000 0.235 726 D C 0.623 176.872 176.300 -0.084 0.000 1.040 726 D CA 0.480 54.478 54.000 -0.003 0.000 0.923 726 D CB 0.297 41.083 40.800 -0.023 0.000 0.886 726 D HN 0.567 nan 8.370 nan 0.000 0.532 727 K N -0.075 120.255 120.400 -0.118 0.000 2.437 727 K HA 0.249 4.569 4.320 -0.000 0.000 0.205 727 K C 0.068 176.348 176.600 -0.534 0.000 1.026 727 K CA -0.407 55.659 56.287 -0.369 0.000 1.153 727 K CB 0.648 32.865 32.500 -0.472 0.000 0.863 727 K HN 0.069 nan 8.250 nan 0.000 0.502 728 L N -0.081 121.056 121.223 -0.144 0.000 2.436 728 L HA 0.399 4.739 4.340 -0.000 0.000 0.268 728 L C -1.418 175.280 176.870 -0.287 0.000 0.974 728 L CA -0.050 54.785 54.840 -0.008 0.000 0.826 728 L CB 2.506 44.752 42.059 0.312 0.000 1.291 728 L HN -0.146 nan 8.230 nan 0.000 0.406 729 T N 4.194 118.579 114.554 -0.282 0.000 2.863 729 T HA 0.752 5.101 4.350 -0.000 0.000 0.285 729 T C -1.006 173.488 174.700 -0.343 0.000 1.009 729 T CA -0.383 61.482 62.100 -0.393 0.000 0.989 729 T CB 1.740 70.463 68.868 -0.242 0.000 1.004 729 T HN 0.658 nan 8.240 nan 0.000 0.455 730 V N -0.086 119.597 119.914 -0.384 0.000 2.789 730 V HA 1.094 5.214 4.120 -0.000 0.000 0.311 730 V C -0.140 175.910 176.094 -0.073 0.000 1.073 730 V CA -0.587 61.586 62.300 -0.212 0.000 0.921 730 V CB 1.555 33.266 31.823 -0.187 0.000 1.009 730 V HN 1.113 nan 8.190 nan 0.000 0.426 731 G N 0.604 109.372 108.800 -0.054 0.000 2.649 731 G HA2 0.966 4.926 3.960 -0.000 0.000 0.290 731 G HA3 0.966 4.926 3.960 -0.000 0.000 0.290 731 G C -0.496 174.446 174.900 0.071 0.000 1.426 731 G CA -0.156 44.968 45.100 0.041 0.000 0.794 731 G HN 1.802 nan 8.290 nan 0.000 0.483 732 G N -2.173 106.811 108.800 0.307 0.000 2.349 732 G HA2 0.856 4.816 3.960 -0.000 0.000 0.294 732 G HA3 0.856 4.816 3.960 -0.000 0.000 0.294 732 G C -0.480 174.790 174.900 0.616 0.000 1.380 732 G CA 0.438 45.796 45.100 0.429 0.000 0.811 732 G HN 1.928 nan 8.290 nan 0.000 0.519 733 G N -1.859 107.260 108.800 0.532 0.000 2.606 733 G HA2 0.995 4.954 3.960 -0.000 0.000 0.300 733 G HA3 0.995 4.954 3.960 -0.000 0.000 0.300 733 G C -1.252 173.740 174.900 0.155 0.000 1.360 733 G CA 0.373 45.663 45.100 0.317 0.000 0.783 733 G HN 2.176 nan 8.290 nan 0.000 0.484 734 A N -0.563 122.199 122.820 -0.097 0.000 2.577 734 A HA 0.863 5.182 4.320 -0.000 0.000 0.297 734 A C -0.967 176.699 177.584 0.136 0.000 1.060 734 A CA -0.546 51.583 52.037 0.153 0.000 0.697 734 A CB 2.200 21.364 19.000 0.274 0.000 1.281 734 A HN 1.179 nan 8.150 nan 0.000 0.402 735 R N 1.494 122.148 120.500 0.256 0.000 2.740 735 R HA 0.741 5.081 4.340 -0.000 0.000 0.282 735 R C -1.537 174.798 176.300 0.059 0.000 0.969 735 R CA -0.473 55.680 56.100 0.087 0.000 0.918 735 R CB 1.295 31.596 30.300 0.001 0.000 1.175 735 R HN 1.134 nan 8.270 nan 0.000 0.464 736 W N 6.202 127.213 121.300 -0.481 0.000 3.097 736 W HA 0.405 5.064 4.660 -0.000 0.000 0.335 736 W C -2.016 174.165 176.519 -0.563 0.000 1.114 736 W CA -0.553 56.316 57.345 -0.795 0.000 1.231 736 W CB 1.840 30.249 29.460 -1.751 0.000 1.388 736 W HN 0.785 nan 8.180 nan 0.000 0.485 737 Q N 4.223 123.167 119.800 -1.427 0.000 2.305 737 Q HA 0.574 4.914 4.340 -0.000 0.000 0.271 737 Q C -0.276 174.856 176.000 -1.448 0.000 1.046 737 Q CA -0.874 54.131 55.803 -1.330 0.000 0.798 737 Q CB 2.399 30.531 28.738 -1.010 0.000 1.286 737 Q HN 0.542 nan 8.270 nan 0.000 0.435 738 G N 2.011 110.151 108.800 -1.099 0.000 2.467 738 G HA2 0.183 4.143 3.960 -0.000 0.000 0.257 738 G HA3 0.183 4.143 3.960 -0.000 0.000 0.257 738 G C -0.376 174.264 174.900 -0.433 0.000 1.227 738 G CA -0.520 44.171 45.100 -0.681 0.000 0.835 738 G HN 0.805 nan 8.290 nan 0.000 0.556 739 K N 0.340 120.596 120.400 -0.239 0.000 2.461 739 K HA -0.149 4.171 4.320 -0.000 0.000 0.252 739 K C -0.364 176.172 176.600 -0.106 0.000 1.035 739 K CA 0.890 57.128 56.287 -0.083 0.000 1.122 739 K CB -0.151 32.388 32.500 0.066 0.000 0.739 739 K HN 0.368 nan 8.250 nan 0.000 0.452 740 S N 4.252 119.846 115.700 -0.178 0.000 2.502 740 S HA 0.654 5.124 4.470 -0.000 0.000 0.304 740 S C -1.246 173.347 174.600 -0.011 0.000 1.097 740 S CA -0.762 57.185 58.200 -0.422 0.000 1.045 740 S CB 0.735 63.279 63.200 -1.094 0.000 1.019 740 S HN 0.677 nan 8.310 nan 0.000 0.481 741 W N 1.520 122.830 121.300 0.018 0.000 3.029 741 W HA 0.845 5.504 4.660 -0.000 0.000 0.339 741 W C -1.027 175.686 176.519 0.324 0.000 1.198 741 W CA -0.640 56.834 57.345 0.215 0.000 1.148 741 W CB 0.817 30.323 29.460 0.077 0.000 1.451 741 W HN 0.405 nan 8.180 nan 0.000 0.564 745 Y N 1.578 121.932 120.300 0.090 0.000 2.313 745 Y HA 0.638 5.187 4.550 -0.001 0.000 0.320 745 Y C -0.695 175.393 175.900 0.313 0.000 1.171 745 Y CA -1.068 57.232 58.100 0.334 0.000 1.093 745 Y CB 1.570 40.337 38.460 0.512 0.000 1.224 745 Y HN 0.944 nan 8.280 nan 0.000 0.421 746 N N 5.632 124.222 118.700 -0.184 0.000 3.124 746 N HA 0.043 4.782 4.740 -0.000 0.000 0.284 746 N C 1.271 176.281 175.510 -0.833 0.000 1.209 746 N CA 0.285 52.961 53.050 -0.624 0.000 1.149 746 N CB -0.018 38.024 38.487 -0.742 0.000 1.434 746 N HN 0.839 nan 8.380 nan 0.000 0.529 747 N N 2.570 120.650 118.700 -1.033 0.000 2.103 747 N HA -0.211 4.529 4.740 -0.000 0.000 0.200 747 N C -1.107 174.132 175.510 -0.452 0.000 1.016 747 N CA 1.904 54.459 53.050 -0.825 0.000 0.890 747 N CB -0.829 37.413 38.487 -0.407 0.000 1.075 747 N HN 0.345 nan 8.380 nan 0.000 0.506 748 P HA -0.114 nan 4.420 nan 0.000 0.220 748 P C 0.476 177.632 177.300 -0.241 0.000 1.142 748 P CA 1.480 64.411 63.100 -0.280 0.000 0.801 748 P CB 0.023 31.552 31.700 -0.285 0.000 0.764 749 R N -3.494 116.838 120.500 -0.280 0.000 2.539 749 R HA 0.253 4.592 4.340 -0.000 0.000 0.342 749 R C 0.986 177.206 176.300 -0.134 0.000 0.941 749 R CA 0.497 56.485 56.100 -0.187 0.000 1.146 749 R CB -0.378 29.806 30.300 -0.194 0.000 1.541 749 R HN -0.016 nan 8.270 nan 0.000 0.525 750 S N 1.688 117.283 115.700 -0.175 0.000 2.616 750 S HA -0.279 4.191 4.470 -0.000 0.000 0.254 750 S C 0.472 175.180 174.600 0.179 0.000 1.299 750 S CA 1.848 60.075 58.200 0.046 0.000 1.553 750 S CB -0.929 62.333 63.200 0.102 0.000 1.999 750 S HN 0.698 nan 8.310 nan 0.000 0.677 751 R N 0.351 120.874 120.500 0.038 0.000 2.449 751 R HA 0.293 4.632 4.340 -0.000 0.000 0.296 751 R C -0.166 176.281 176.300 0.244 0.000 1.047 751 R CA -0.204 55.954 56.100 0.097 0.000 1.018 751 R CB 0.144 30.452 30.300 0.014 0.000 0.962 751 R HN 0.329 nan 8.270 nan 0.000 0.428 752 W N 2.635 123.989 121.300 0.089 0.000 2.170 752 W HA 0.173 4.833 4.660 -0.000 0.000 0.336 752 W C 0.098 176.622 176.519 0.008 0.000 1.283 752 W CA -0.387 57.025 57.345 0.111 0.000 1.224 752 W CB 0.546 30.062 29.460 0.095 0.000 1.132 752 W HN 0.679 nan 8.180 nan 0.000 0.571 753 E N 1.885 122.109 120.200 0.041 0.000 2.312 753 E HA 0.274 4.623 4.350 -0.000 0.000 0.267 753 E C -0.946 175.440 176.600 -0.357 0.000 0.894 753 E CA -1.127 55.170 56.400 -0.171 0.000 0.773 753 E CB 2.841 32.405 29.700 -0.226 0.000 1.241 753 E HN 0.148 nan 8.360 nan 0.000 0.432 754 K N 1.628 121.798 120.400 -0.384 0.000 2.123 754 K HA 0.498 4.818 4.320 -0.000 0.000 0.259 754 K C -1.447 174.872 176.600 -0.468 0.000 0.960 754 K CA -0.436 55.678 56.287 -0.289 0.000 0.872 754 K CB 0.670 33.086 32.500 -0.140 0.000 1.079 754 K HN 0.255 nan 8.250 nan 0.000 0.440 755 F N 0.935 120.944 119.950 0.100 0.000 2.573 755 F HA 0.249 4.775 4.527 -0.000 0.000 0.316 755 F C -0.476 175.466 175.800 0.236 0.000 1.148 755 F CA -0.667 57.400 58.000 0.112 0.000 0.940 755 F CB 2.089 41.102 39.000 0.021 0.000 1.214 755 F HN 0.473 nan 8.300 nan 0.000 0.448 756 S N 1.805 117.767 115.700 0.437 0.000 2.526 756 S HA 0.625 5.095 4.470 -0.000 0.000 0.293 756 S C -1.035 173.739 174.600 0.290 0.000 1.092 756 S CA -0.873 57.541 58.200 0.357 0.000 0.980 756 S CB 2.204 65.553 63.200 0.248 0.000 1.048 756 S HN 0.445 nan 8.310 nan 0.000 0.483 757 Q N 3.069 122.983 119.800 0.191 0.000 2.569 757 Q HA 0.220 4.560 4.340 -0.000 0.000 0.226 757 Q C 1.099 177.151 176.000 0.086 0.000 1.136 757 Q CA -0.598 55.301 55.803 0.160 0.000 0.947 757 Q CB 0.102 28.849 28.738 0.016 0.000 1.218 757 Q HN 0.777 nan 8.270 nan 0.000 0.547 758 E N 1.916 122.190 120.200 0.124 0.000 2.088 758 E HA -0.240 4.110 4.350 -0.000 0.000 0.247 758 E C -0.479 176.135 176.600 0.023 0.000 0.834 758 E CA 1.449 57.900 56.400 0.085 0.000 1.157 758 E CB -0.562 29.202 29.700 0.107 0.000 0.821 758 E HN 0.571 nan 8.360 nan 0.000 0.569 759 D N -1.205 119.217 120.400 0.037 0.000 2.374 759 D HA 0.474 5.114 4.640 -0.000 0.000 0.239 759 D C -1.251 175.040 176.300 -0.015 0.000 0.991 759 D CA -0.515 53.468 54.000 -0.027 0.000 0.960 759 D CB 1.078 41.983 40.800 0.175 0.000 1.284 759 D HN 0.223 nan 8.370 nan 0.000 0.512 760 Y N 0.202 120.285 120.300 -0.361 0.000 2.322 760 Y HA 0.325 4.875 4.550 -0.000 0.000 0.324 760 Y C -1.051 174.839 175.900 -0.015 0.000 1.027 760 Y CA -0.654 57.292 58.100 -0.256 0.000 1.179 760 Y CB 1.421 39.566 38.460 -0.525 0.000 1.136 760 Y HN 0.280 nan 8.280 nan 0.000 0.449 761 W N 7.114 128.599 121.300 0.309 0.000 2.563 761 W HA 0.561 5.220 4.660 -0.000 0.000 0.301 761 W C -1.815 174.862 176.519 0.263 0.000 1.006 761 W CA -0.618 56.944 57.345 0.362 0.000 1.382 761 W CB 1.128 30.787 29.460 0.332 0.000 1.262 761 W HN 0.262 nan 8.180 nan 0.000 0.403 762 L N 4.456 126.053 121.223 0.623 0.000 2.307 762 L HA 0.682 5.022 4.340 -0.000 0.000 0.284 762 L C -0.487 176.623 176.870 0.400 0.000 1.023 762 L CA -0.794 54.310 54.840 0.440 0.000 0.810 762 L CB 1.673 43.939 42.059 0.346 0.000 1.231 762 L HN 0.145 nan 8.230 nan 0.000 0.423 763 V N 3.375 123.463 119.914 0.290 0.000 2.823 763 V HA 0.845 4.965 4.120 -0.000 0.000 0.312 763 V C -1.828 174.328 176.094 0.103 0.000 1.072 763 V CA -0.375 62.036 62.300 0.184 0.000 0.937 763 V CB 2.337 34.223 31.823 0.104 0.000 1.013 763 V HN 0.911 nan 8.190 nan 0.000 0.430 764 D N 4.716 125.215 120.400 0.164 0.000 2.977 764 D HA 0.502 5.141 4.640 -0.000 0.000 0.220 764 D C -0.795 175.612 176.300 0.178 0.000 1.267 764 D CA -0.443 53.650 54.000 0.156 0.000 0.884 764 D CB 1.308 42.271 40.800 0.271 0.000 1.667 764 D HN 0.498 nan 8.370 nan 0.000 0.536 768 R N 1.385 121.844 120.500 -0.069 0.000 2.548 768 R HA 0.567 4.906 4.340 -0.000 0.000 0.280 768 R C -2.494 173.844 176.300 0.063 0.000 1.061 768 R CA -0.462 55.628 56.100 -0.017 0.000 0.915 768 R CB 1.513 31.780 30.300 -0.056 0.000 1.210 768 R HN 0.947 nan 8.270 nan 0.000 0.442 769 Y N 2.493 122.760 120.300 -0.055 0.000 2.331 769 Y HA 0.229 4.779 4.550 -0.000 0.000 0.334 769 Y C -0.492 175.393 175.900 -0.025 0.000 0.960 769 Y CA -0.598 57.477 58.100 -0.042 0.000 1.130 769 Y CB 2.065 40.511 38.460 -0.023 0.000 1.164 769 Y HN 0.633 nan 8.280 nan 0.000 0.458 770 Q N 6.502 126.088 119.800 -0.357 0.000 2.553 770 Q HA 0.227 4.567 4.340 -0.000 0.000 0.221 770 Q C 0.820 176.627 176.000 -0.320 0.000 1.219 770 Q CA 0.134 55.787 55.803 -0.250 0.000 0.955 770 Q CB -0.156 28.448 28.738 -0.224 0.000 1.399 770 Q HN 0.871 nan 8.270 nan 0.000 0.551 771 I N -0.175 120.339 120.570 -0.095 0.000 2.439 771 I HA 0.037 4.207 4.170 -0.000 0.000 0.251 771 I C 0.662 176.761 176.117 -0.031 0.000 1.139 771 I CA 0.612 61.919 61.300 0.011 0.000 1.438 771 I CB -0.125 37.957 38.000 0.137 0.000 1.085 771 I HN 0.469 nan 8.210 nan 0.000 0.427 772 T N -2.123 112.400 114.554 -0.052 0.000 2.909 772 T HA 0.265 4.614 4.350 -0.000 0.000 0.299 772 T C 0.365 175.025 174.700 -0.067 0.000 1.073 772 T CA -0.610 61.457 62.100 -0.055 0.000 0.999 772 T CB 2.045 70.879 68.868 -0.056 0.000 1.098 772 T HN 0.113 nan 8.240 nan 0.000 0.477 773 D N 1.463 121.829 120.400 -0.057 0.000 2.244 773 D HA -0.121 4.519 4.640 -0.000 0.000 0.197 773 D C 0.368 176.647 176.300 -0.035 0.000 1.006 773 D CA 1.497 55.474 54.000 -0.037 0.000 0.888 773 D CB 0.120 40.907 40.800 -0.023 0.000 0.912 773 D HN 0.606 nan 8.370 nan 0.000 0.452 774 K N -0.210 120.121 120.400 -0.115 0.000 2.626 774 K HA 0.453 4.773 4.320 -0.000 0.000 0.223 774 K C -1.091 175.322 176.600 -0.311 0.000 0.992 774 K CA -0.519 55.608 56.287 -0.266 0.000 1.024 774 K CB 1.824 34.019 32.500 -0.508 0.000 1.225 774 K HN -0.083 nan 8.250 nan 0.000 0.498 775 L N 0.702 121.833 121.223 -0.153 0.000 5.519 775 L HA 0.020 4.360 4.340 -0.000 0.000 0.238 775 L C -1.735 175.138 176.870 0.004 0.000 1.203 775 L CA 0.062 54.858 54.840 -0.074 0.000 0.939 775 L CB 0.163 42.170 42.059 -0.087 0.000 1.577 775 L HN 0.369 nan 8.230 nan 0.000 0.387 776 S N 2.464 118.199 115.700 0.057 0.000 2.672 776 S HA 0.991 5.461 4.470 -0.000 0.000 0.276 776 S C -0.057 174.583 174.600 0.067 0.000 1.207 776 S CA -0.095 58.136 58.200 0.052 0.000 1.002 776 S CB 1.775 65.009 63.200 0.056 0.000 0.998 776 S HN 1.271 nan 8.310 nan 0.000 0.542 777 A N 1.617 124.483 122.820 0.076 0.000 2.442 777 A HA 0.697 5.017 4.320 -0.000 0.000 0.284 777 A C -0.474 177.161 177.584 0.085 0.000 1.058 777 A CA -0.720 51.375 52.037 0.097 0.000 0.738 777 A CB 0.868 19.942 19.000 0.124 0.000 1.242 777 A HN 0.801 nan 8.150 nan 0.000 0.421 778 S N 0.155 115.891 115.700 0.060 0.000 2.651 778 S HA 0.892 5.362 4.470 -0.000 0.000 0.279 778 S C -1.123 173.450 174.600 -0.045 0.000 1.148 778 S CA -0.902 57.299 58.200 0.001 0.000 0.837 778 S CB 1.851 65.032 63.200 -0.031 0.000 1.138 778 S HN 1.784 nan 8.310 nan 0.000 0.478 779 V N 1.248 121.074 119.914 -0.146 0.000 2.789 779 V HA 0.542 4.662 4.120 -0.000 0.000 0.300 779 V C -2.151 173.774 176.094 -0.282 0.000 1.184 779 V CA -0.558 61.554 62.300 -0.313 0.000 0.930 779 V CB 2.050 33.539 31.823 -0.556 0.000 1.041 779 V HN 1.001 nan 8.190 nan 0.000 0.430 780 N N 3.407 121.948 118.700 -0.265 0.000 2.321 780 N HA 0.674 5.414 4.740 -0.000 0.000 0.299 780 N C -1.115 174.286 175.510 -0.183 0.000 1.048 780 N CA -0.414 52.525 53.050 -0.186 0.000 0.836 780 N CB 2.489 40.907 38.487 -0.115 0.000 1.269 780 N HN 0.479 nan 8.380 nan 0.000 0.486 781 V N 2.461 122.295 119.914 -0.132 0.000 2.325 781 V HA 0.325 4.445 4.120 -0.000 0.000 0.280 781 V C 0.075 176.150 176.094 -0.032 0.000 1.016 781 V CA -0.399 61.833 62.300 -0.113 0.000 0.818 781 V CB 0.359 32.100 31.823 -0.137 0.000 1.019 781 V HN 0.743 nan 8.190 nan 0.000 0.434 782 N N 4.560 123.267 118.700 0.012 0.000 2.331 782 N HA -0.012 4.728 4.740 -0.000 0.000 0.180 782 N C 0.885 176.454 175.510 0.098 0.000 1.019 782 N CA 0.911 54.019 53.050 0.097 0.000 0.881 782 N CB 0.157 38.725 38.487 0.135 0.000 0.972 782 N HN 0.812 nan 8.380 nan 0.000 0.435 783 N N 0.404 119.128 118.700 0.039 0.000 2.765 783 N HA 0.112 4.851 4.740 -0.000 0.000 0.277 783 N C 0.677 176.154 175.510 -0.055 0.000 1.750 783 N CA -0.327 52.747 53.050 0.040 0.000 0.827 783 N CB 0.577 39.103 38.487 0.066 0.000 1.200 783 N HN -0.180 nan 8.380 nan 0.000 0.494 784 V N 1.190 121.000 119.914 -0.174 0.000 2.256 784 V HA -0.377 3.742 4.120 -0.000 0.000 0.256 784 V C 1.437 177.318 176.094 -0.356 0.000 1.060 784 V CA 2.082 64.141 62.300 -0.401 0.000 1.081 784 V CB -0.721 30.610 31.823 -0.820 0.000 0.709 784 V HN 0.559 nan 8.190 nan 0.000 0.471 785 F N 0.317 120.292 119.950 0.043 0.000 2.802 785 F HA 0.214 4.741 4.527 -0.000 0.000 0.300 785 F C 1.157 176.962 175.800 0.008 0.000 1.168 785 F CA 0.374 58.390 58.000 0.026 0.000 1.433 785 F CB -1.394 37.628 39.000 0.037 0.000 1.115 785 F HN 0.446 nan 8.300 nan 0.000 0.582 786 D N 1.143 121.602 120.400 0.099 0.000 2.812 786 D HA -0.275 4.365 4.640 -0.000 0.000 0.237 786 D C -0.020 176.288 176.300 0.013 0.000 1.162 786 D CA 0.267 54.281 54.000 0.024 0.000 0.740 786 D CB -0.610 40.195 40.800 0.009 0.000 1.000 786 D HN 0.120 nan 8.370 nan 0.000 0.416 787 K N 1.551 121.979 120.400 0.047 0.000 2.262 787 K HA 0.242 4.562 4.320 -0.000 0.000 0.288 787 K C -0.224 176.303 176.600 -0.122 0.000 1.090 787 K CA -0.238 56.073 56.287 0.040 0.000 0.918 787 K CB 0.616 33.217 32.500 0.170 0.000 1.139 787 K HN 0.207 nan 8.250 nan 0.000 0.462 788 T N 5.987 120.439 114.554 -0.169 0.000 2.759 788 T HA 0.101 4.451 4.350 -0.000 0.000 0.273 788 T C -0.593 173.983 174.700 -0.207 0.000 0.938 788 T CA 0.061 61.981 62.100 -0.300 0.000 1.197 788 T CB -0.532 68.170 68.868 -0.277 0.000 0.887 788 T HN 0.481 nan 8.240 nan 0.000 0.540 789 Y N 3.097 123.252 120.300 -0.241 0.000 2.705 789 Y HA 0.736 5.286 4.550 -0.000 0.000 0.332 789 Y C -1.819 174.020 175.900 -0.103 0.000 1.157 789 Y CA -2.503 55.458 58.100 -0.233 0.000 1.091 789 Y CB 0.653 38.864 38.460 -0.415 0.000 1.301 789 Y HN 0.367 nan 8.280 nan 0.000 0.488 790 Y N -0.187 120.498 120.300 0.641 0.000 2.387 790 Y HA 0.445 4.995 4.550 -0.000 0.000 0.336 790 Y C 1.250 177.539 175.900 0.648 0.000 1.067 790 Y CA -0.253 58.184 58.100 0.562 0.000 1.114 790 Y CB 2.357 41.065 38.460 0.412 0.000 1.208 790 Y HN 0.911 nan 8.280 nan 0.000 0.458 791 T N 0.565 115.540 114.554 0.700 0.000 3.023 791 T HA 0.103 4.453 4.350 -0.000 0.000 0.249 791 T C -0.052 174.956 174.700 0.514 0.000 1.050 791 T CA 0.341 62.778 62.100 0.561 0.000 1.088 791 T CB -0.237 68.873 68.868 0.404 0.000 0.946 791 T HN 0.767 nan 8.240 nan 0.000 0.480 792 N N -0.483 118.386 118.700 0.282 0.000 2.405 792 N HA 0.302 5.041 4.740 -0.000 0.000 0.274 792 N C -0.411 174.827 175.510 -0.453 0.000 1.170 792 N CA -0.573 52.313 53.050 -0.273 0.000 0.848 792 N CB 1.448 39.733 38.487 -0.337 0.000 1.629 792 N HN 0.185 nan 8.380 nan 0.000 0.481 793 I N -0.272 119.712 120.570 -0.978 0.000 4.866 793 I HA 0.201 4.371 4.170 -0.000 0.000 0.325 793 I C 1.144 176.890 176.117 -0.618 0.000 1.240 793 I CA 0.074 60.910 61.300 -0.775 0.000 1.355 793 I CB 1.053 38.663 38.000 -0.650 0.000 1.395 793 I HN 0.730 nan 8.210 nan 0.000 0.479 794 G N 0.854 109.287 108.800 -0.612 0.000 4.291 794 G HA2 0.190 4.149 3.960 -0.000 0.000 0.304 794 G HA3 0.190 4.149 3.960 -0.000 0.000 0.304 794 G C -0.691 174.094 174.900 -0.192 0.000 1.264 794 G CA -0.072 44.832 45.100 -0.328 0.000 1.039 794 G HN 0.025 nan 8.290 nan 0.000 0.578 795 F N 1.188 120.913 119.950 -0.375 0.000 2.334 795 F HA 0.482 5.009 4.527 -0.000 0.000 0.367 795 F C 0.415 176.119 175.800 -0.159 0.000 1.115 795 F CA -1.812 56.009 58.000 -0.298 0.000 1.116 795 F CB 0.343 39.194 39.000 -0.249 0.000 1.230 795 F HN 0.332 nan 8.300 nan 0.000 0.484 796 Y N 2.711 122.722 120.300 -0.482 0.000 4.144 796 Y HA -0.341 4.209 4.550 -0.000 0.000 0.216 796 Y C 0.995 176.734 175.900 -0.267 0.000 1.115 796 Y CA 0.936 58.773 58.100 -0.437 0.000 1.729 796 Y CB -2.446 35.611 38.460 -0.671 0.000 1.553 796 Y HN 0.702 nan 8.280 nan 0.000 0.633 797 T N -1.064 113.437 114.554 -0.089 0.000 3.875 797 T HA 0.019 4.369 4.350 -0.000 0.000 0.381 797 T C 0.120 174.672 174.700 -0.246 0.000 0.760 797 T CA 0.725 62.738 62.100 -0.145 0.000 2.040 797 T CB -1.530 67.306 68.868 -0.054 0.000 1.778 797 T HN 1.062 nan 8.240 nan 0.000 0.822 798 S N -0.877 114.642 115.700 -0.301 0.000 2.903 798 S HA 0.996 5.466 4.470 -0.000 0.000 0.314 798 S C -0.792 173.454 174.600 -0.590 0.000 1.177 798 S CA -0.277 57.684 58.200 -0.398 0.000 0.859 798 S CB 2.348 65.445 63.200 -0.172 0.000 1.265 798 S HN 1.942 nan 8.310 nan 0.000 0.584 799 A N -0.045 122.373 122.820 -0.671 0.000 2.590 799 A HA 0.756 5.076 4.320 -0.000 0.000 0.294 799 A C -1.115 176.275 177.584 -0.322 0.000 1.046 799 A CA -0.610 51.053 52.037 -0.624 0.000 0.684 799 A CB 1.005 19.432 19.000 -0.956 0.000 1.279 799 A HN 1.138 nan 8.150 nan 0.000 0.415 800 S N 0.325 115.999 115.700 -0.044 0.000 2.547 800 S HA 0.690 5.159 4.470 -0.000 0.000 0.281 800 S C -1.002 173.739 174.600 0.235 0.000 1.118 800 S CA -0.364 57.915 58.200 0.132 0.000 0.947 800 S CB 0.779 64.042 63.200 0.105 0.000 1.053 800 S HN 0.522 nan 8.310 nan 0.000 0.482 801 Y N 1.382 121.907 120.300 0.375 0.000 2.262 801 Y HA 0.561 5.111 4.550 -0.000 0.000 0.368 801 Y C 1.334 177.292 175.900 0.096 0.000 1.352 801 Y CA -0.230 57.986 58.100 0.192 0.000 1.760 801 Y CB 0.305 38.812 38.460 0.078 0.000 1.627 801 Y HN 0.751 nan 8.280 nan 0.000 0.606 802 G N 0.076 108.857 108.800 -0.032 0.000 2.544 802 G HA2 0.228 4.188 3.960 -0.000 0.000 0.313 802 G HA3 0.228 4.188 3.960 -0.000 0.000 0.313 802 G C -1.349 173.234 174.900 -0.528 0.000 1.316 802 G CA -0.754 44.113 45.100 -0.389 0.000 0.944 802 G HN 0.562 nan 8.290 nan 0.000 0.489 803 D N 3.417 123.713 120.400 -0.173 0.000 4.812 803 D HA -0.068 4.571 4.640 -0.000 0.000 0.206 803 D C -1.750 174.400 176.300 -0.251 0.000 1.283 803 D CA 0.469 54.393 54.000 -0.127 0.000 0.795 803 D CB 0.868 41.767 40.800 0.164 0.000 1.274 803 D HN 0.184 nan 8.370 nan 0.000 0.710 804 P HA 0.058 nan 4.420 nan 0.000 0.279 804 P C 0.261 177.591 177.300 0.050 0.000 1.239 804 P CA -0.571 62.392 63.100 -0.228 0.000 0.789 804 P CB 0.764 32.260 31.700 -0.341 0.000 0.933 805 R N 2.769 123.268 120.500 -0.002 0.000 4.184 805 R HA -0.181 4.159 4.340 -0.000 0.000 0.095 805 R C -0.236 176.041 176.300 -0.039 0.000 0.374 805 R CA 0.678 56.773 56.100 -0.008 0.000 0.751 805 R CB -0.693 29.588 30.300 -0.031 0.000 1.194 805 R HN 0.495 nan 8.270 nan 0.000 0.202 806 N N 3.657 122.343 118.700 -0.024 0.000 2.463 806 N HA 0.535 5.275 4.740 -0.000 0.000 0.270 806 N C 0.069 175.496 175.510 -0.139 0.000 1.205 806 N CA -0.239 52.760 53.050 -0.086 0.000 0.974 806 N CB 1.058 39.570 38.487 0.041 0.000 1.197 806 N HN 0.451 nan 8.380 nan 0.000 0.504 810 S N 0.007 115.827 115.700 0.199 0.000 2.607 810 S HA 0.919 5.388 4.470 -0.000 0.000 0.273 810 S C -1.441 173.233 174.600 0.124 0.000 1.148 810 S CA -0.131 58.152 58.200 0.139 0.000 0.833 810 S CB 1.984 65.237 63.200 0.089 0.000 1.130 810 S HN 1.003 nan 8.310 nan 0.000 0.470 811 T N 0.682 115.303 114.554 0.112 0.000 2.993 811 T HA 0.694 5.044 4.350 -0.000 0.000 0.312 811 T C -0.534 174.240 174.700 0.123 0.000 1.115 811 T CA -0.832 61.328 62.100 0.102 0.000 1.027 811 T CB 1.752 70.670 68.868 0.083 0.000 1.116 811 T HN 0.568 nan 8.240 nan 0.000 0.464 812 R N 1.193 121.770 120.500 0.127 0.000 2.527 812 R HA 0.592 4.932 4.340 -0.000 0.000 0.236 812 R C 0.386 176.844 176.300 0.263 0.000 1.257 812 R CA -0.875 55.344 56.100 0.197 0.000 1.088 812 R CB 0.128 30.550 30.300 0.204 0.000 1.396 812 R HN 0.831 nan 8.270 nan 0.000 0.571 813 W N 0.584 121.945 121.300 0.103 0.000 1.992 813 W HA 0.288 4.948 4.660 -0.000 0.000 0.360 813 W C -0.124 176.481 176.519 0.142 0.000 1.369 813 W CA 0.139 57.574 57.345 0.150 0.000 1.403 813 W CB -0.155 29.430 29.460 0.209 0.000 1.215 813 W HN 0.733 nan 8.180 nan 0.000 0.643 814 D N -0.758 119.667 120.400 0.042 0.000 5.113 814 D HA -0.198 4.442 4.640 -0.000 0.000 0.140 814 D C -1.161 175.250 176.300 0.185 0.000 0.607 814 D CA 1.310 55.166 54.000 -0.239 0.000 1.165 814 D CB -1.323 39.044 40.800 -0.723 0.000 0.819 814 D HN 0.322 nan 8.370 nan 0.000 0.572 815 F N 0.000 119.869 119.950 -0.134 0.000 2.286 815 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 815 F CA 0.000 57.965 58.000 -0.059 0.000 1.383 815 F CB 0.000 38.974 39.000 -0.044 0.000 1.145 815 F HN 0.000 nan 8.300 nan 0.000 0.574