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 2dc0_1_A DATA FIRST_RESID 1 DATA SEQUENCE MDLLEAKRLL ETGRTTPLAL LEEALERAKA FQDRNALAYL DEEAARKEAL DATA SEQUENCE ALTEELRRGQ VRGPLHGLPL TVKDLFPVKG MPTRAGTKAP LPPLPEEARA DATA SEQUENCE VRRLREAGAL LFAKTNXHEI ALGITGENPW TGPVRNAVDP SRQAGGSSGG DATA SEQUENCE SAVAVALGIG LASLGTDTGG SIRIPAGFNG VVGFKPSYGR VSLEGALPLS DATA SEQUENCE RSTDHAGPLT RSVRDAHFLT EILAGESIPL EGVQNPVFGV PLDFLEGRLG DATA SEQUENCE VEVRKAFTRL LEDLPALRAE VREVSLPLEG VYEVYTRLVR YEAARIHEKA DATA SEQUENCE LKEHPEGFSP QVREALLAGL ALTEKDYRDA VAEREALRLE LVKALRGVDA DATA SEQUENCE LLLPVQPLPA PPLGTEEVEL ESGRKGHREA FITLTLPFSL LGVPTLALPF DATA SEQUENCE AKVEGXPVGL QVVGAYGEDG KVLALGGWLE ARLG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.313 176.300 0.021 0.000 1.140 1 M CA 0.000 55.308 55.300 0.013 0.000 0.988 1 M CB 0.000 32.607 32.600 0.011 0.000 1.302 2 D N 1.300 121.711 120.400 0.019 0.000 2.592 2 D HA 0.524 5.164 4.640 -0.000 0.000 0.259 2 D C 0.608 176.928 176.300 0.035 0.000 1.144 2 D CA -0.743 53.276 54.000 0.032 0.000 1.080 2 D CB 0.760 41.578 40.800 0.030 0.000 1.225 2 D HN 0.800 nan 8.370 nan 0.000 0.619 3 L N -0.766 120.493 121.223 0.060 0.000 1.990 3 L HA -0.187 4.153 4.340 -0.000 0.000 0.213 3 L C 2.430 179.305 176.870 0.008 0.000 1.072 3 L CA 1.263 56.152 54.840 0.082 0.000 0.755 3 L CB -0.492 41.677 42.059 0.184 0.000 0.889 3 L HN 0.352 nan 8.230 nan 0.000 0.432 4 L N -0.847 120.332 121.223 -0.073 0.000 2.141 4 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 4 L C 2.566 179.377 176.870 -0.098 0.000 1.094 4 L CA 1.071 55.803 54.840 -0.181 0.000 0.763 4 L CB -0.474 41.445 42.059 -0.235 0.000 0.908 4 L HN 0.366 nan 8.230 nan 0.000 0.437 5 E N 0.517 120.688 120.200 -0.050 0.000 2.072 5 E HA -0.186 4.164 4.350 -0.000 0.000 0.190 5 E C 2.253 178.842 176.600 -0.018 0.000 0.982 5 E CA 0.991 57.372 56.400 -0.032 0.000 0.803 5 E CB 0.088 29.778 29.700 -0.017 0.000 0.755 5 E HN 0.433 nan 8.360 nan 0.000 0.453 6 A N 1.537 124.355 122.820 -0.004 0.000 1.933 6 A HA -0.195 4.124 4.320 -0.000 0.000 0.218 6 A C 2.083 179.674 177.584 0.011 0.000 1.175 6 A CA 1.619 53.662 52.037 0.010 0.000 0.628 6 A CB -0.411 18.605 19.000 0.027 0.000 0.814 6 A HN 0.162 nan 8.150 nan 0.000 0.444 7 K N -0.504 119.897 120.400 0.002 0.000 2.147 7 K HA -0.124 4.196 4.320 -0.000 0.000 0.205 7 K C 2.265 178.857 176.600 -0.014 0.000 1.049 7 K CA 1.326 57.615 56.287 0.004 0.000 0.936 7 K CB -0.146 32.336 32.500 -0.030 0.000 0.722 7 K HN 0.451 nan 8.250 nan 0.000 0.446 8 R N 0.422 120.904 120.500 -0.030 0.000 2.090 8 R HA -0.011 4.329 4.340 -0.000 0.000 0.228 8 R C 2.181 178.472 176.300 -0.015 0.000 1.110 8 R CA 0.857 56.940 56.100 -0.029 0.000 0.973 8 R CB -0.075 30.204 30.300 -0.036 0.000 0.869 8 R HN 0.200 nan 8.270 nan 0.000 0.440 9 L N 0.581 121.799 121.223 -0.009 0.000 2.093 9 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 9 L C 2.310 179.180 176.870 0.001 0.000 1.085 9 L CA 0.954 55.792 54.840 -0.003 0.000 0.755 9 L CB -0.300 41.759 42.059 -0.000 0.000 0.904 9 L HN 0.256 nan 8.230 nan 0.000 0.435 10 L N -0.470 120.757 121.223 0.007 0.000 2.056 10 L HA -0.178 4.161 4.340 -0.000 0.000 0.207 10 L C 2.493 179.363 176.870 -0.001 0.000 1.078 10 L CA 1.273 56.120 54.840 0.013 0.000 0.749 10 L CB -0.393 41.686 42.059 0.033 0.000 0.901 10 L HN 0.281 nan 8.230 nan 0.000 0.433 11 E N -0.537 119.659 120.200 -0.006 0.000 2.150 11 E HA -0.166 4.183 4.350 -0.000 0.000 0.193 11 E C 1.787 178.379 176.600 -0.013 0.000 0.985 11 E CA 1.660 58.051 56.400 -0.014 0.000 0.814 11 E CB -0.083 29.608 29.700 -0.015 0.000 0.752 11 E HN 0.538 nan 8.360 nan 0.000 0.466 12 T N -2.606 111.942 114.554 -0.010 0.000 3.107 12 T HA 0.256 4.605 4.350 -0.000 0.000 0.249 12 T C 1.432 176.128 174.700 -0.007 0.000 1.096 12 T CA 0.211 62.305 62.100 -0.009 0.000 1.012 12 T CB 0.442 69.305 68.868 -0.009 0.000 0.977 12 T HN 0.244 nan 8.240 nan 0.000 0.527 13 G N 2.192 110.989 108.800 -0.006 0.000 2.198 13 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.260 13 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.260 13 G C 0.789 175.688 174.900 -0.002 0.000 1.025 13 G CA 0.314 45.412 45.100 -0.004 0.000 0.769 13 G HN 0.586 nan 8.290 nan 0.000 0.507 14 R N -0.884 119.615 120.500 -0.001 0.000 2.300 14 R HA 0.305 4.645 4.340 -0.000 0.000 0.199 14 R C 1.065 177.365 176.300 0.001 0.000 0.920 14 R CA 1.009 57.109 56.100 -0.001 0.000 1.046 14 R CB 0.521 30.820 30.300 -0.002 0.000 0.984 14 R HN 0.355 nan 8.270 nan 0.000 0.493 15 T N -0.641 113.915 114.554 0.003 0.000 2.718 15 T HA 0.290 4.640 4.350 -0.000 0.000 0.306 15 T C -1.429 173.278 174.700 0.011 0.000 1.485 15 T CA -0.572 61.531 62.100 0.005 0.000 0.997 15 T CB 1.884 70.755 68.868 0.005 0.000 1.504 15 T HN 0.152 nan 8.240 nan 0.000 0.497 16 T N -0.237 114.324 114.554 0.012 0.000 2.883 16 T HA 0.625 4.975 4.350 -0.000 0.000 0.296 16 T C -2.403 172.310 174.700 0.022 0.000 1.117 16 T CA -1.612 60.501 62.100 0.022 0.000 1.006 16 T CB 1.505 70.384 68.868 0.018 0.000 1.191 16 T HN 0.276 nan 8.240 nan 0.000 0.508 17 P HA -0.041 nan 4.420 nan 0.000 0.216 17 P C 1.681 178.975 177.300 -0.010 0.000 1.150 17 P CA 0.343 63.458 63.100 0.024 0.000 0.837 17 P CB 0.012 31.738 31.700 0.043 0.000 0.786 18 L N -0.331 120.889 121.223 -0.005 0.000 2.046 18 L HA -0.115 4.224 4.340 -0.000 0.000 0.208 18 L C 2.191 179.042 176.870 -0.032 0.000 1.077 18 L CA 2.107 56.934 54.840 -0.020 0.000 0.747 18 L CB -1.498 40.556 42.059 -0.008 0.000 0.896 18 L HN -0.119 nan 8.230 nan 0.000 0.432 19 A N -0.750 122.057 122.820 -0.021 0.000 1.930 19 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 19 A C 2.249 179.810 177.584 -0.038 0.000 1.175 19 A CA 1.731 53.753 52.037 -0.024 0.000 0.627 19 A CB -0.813 18.180 19.000 -0.011 0.000 0.815 19 A HN 0.490 nan 8.150 nan 0.000 0.443 20 L N -1.050 120.150 121.223 -0.037 0.000 2.083 20 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 20 L C 2.552 179.355 176.870 -0.112 0.000 1.083 20 L CA 1.083 55.892 54.840 -0.051 0.000 0.752 20 L CB -0.491 41.551 42.059 -0.029 0.000 0.899 20 L HN 0.465 nan 8.230 nan 0.000 0.433 21 L N -0.284 120.856 121.223 -0.138 0.000 2.027 21 L HA -0.166 4.174 4.340 -0.000 0.000 0.206 21 L C 2.578 179.327 176.870 -0.202 0.000 1.074 21 L CA 1.753 56.449 54.840 -0.241 0.000 0.745 21 L CB -0.622 41.320 42.059 -0.194 0.000 0.898 21 L HN 0.132 nan 8.230 nan 0.000 0.433 22 E N -0.114 120.017 120.200 -0.115 0.000 2.130 22 E HA -0.294 4.056 4.350 -0.000 0.000 0.196 22 E C 2.072 178.630 176.600 -0.070 0.000 0.998 22 E CA 1.432 57.785 56.400 -0.079 0.000 0.806 22 E CB -0.205 29.467 29.700 -0.047 0.000 0.738 22 E HN 0.605 nan 8.360 nan 0.000 0.459 23 E N 0.979 121.139 120.200 -0.067 0.000 2.051 23 E HA -0.112 4.237 4.350 -0.000 0.000 0.192 23 E C 1.905 178.478 176.600 -0.046 0.000 0.991 23 E CA 1.589 57.965 56.400 -0.040 0.000 0.799 23 E CB -0.376 29.306 29.700 -0.029 0.000 0.748 23 E HN 0.161 nan 8.360 nan 0.000 0.449 24 A N 0.622 123.372 122.820 -0.117 0.000 1.902 24 A HA -0.122 4.197 4.320 -0.000 0.000 0.217 24 A C 2.370 179.911 177.584 -0.072 0.000 1.181 24 A CA 1.560 53.516 52.037 -0.134 0.000 0.623 24 A CB -0.776 17.966 19.000 -0.431 0.000 0.818 24 A HN 0.360 nan 8.150 nan 0.000 0.443 25 L N -0.817 120.336 121.223 -0.116 0.000 2.201 25 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 25 L C 2.508 179.386 176.870 0.014 0.000 1.105 25 L CA 1.277 56.098 54.840 -0.032 0.000 0.775 25 L CB -0.571 41.454 42.059 -0.056 0.000 0.913 25 L HN 0.488 nan 8.230 nan 0.000 0.440 26 E N -0.223 119.982 120.200 0.007 0.000 2.072 26 E HA -0.142 4.208 4.350 -0.000 0.000 0.190 26 E C 2.331 178.971 176.600 0.067 0.000 0.982 26 E CA 0.572 56.987 56.400 0.025 0.000 0.803 26 E CB 0.077 29.786 29.700 0.016 0.000 0.755 26 E HN 0.345 nan 8.360 nan 0.000 0.453 27 R N 0.576 121.137 120.500 0.102 0.000 2.075 27 R HA -0.034 4.306 4.340 -0.000 0.000 0.232 27 R C 2.227 178.669 176.300 0.236 0.000 1.126 27 R CA 1.122 57.344 56.100 0.203 0.000 0.963 27 R CB -0.750 29.654 30.300 0.172 0.000 0.858 27 R HN 0.137 nan 8.270 nan 0.000 0.435 28 A N 1.444 124.365 122.820 0.168 0.000 1.902 28 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 28 A C 2.245 179.905 177.584 0.127 0.000 1.181 28 A CA 1.786 53.924 52.037 0.168 0.000 0.623 28 A CB -0.329 18.773 19.000 0.170 0.000 0.818 28 A HN 0.255 nan 8.150 nan 0.000 0.443 29 K N -0.338 120.112 120.400 0.082 0.000 2.025 29 K HA 0.013 4.332 4.320 -0.000 0.000 0.207 29 K C 2.115 178.718 176.600 0.005 0.000 1.049 29 K CA 1.265 57.574 56.287 0.037 0.000 0.933 29 K CB -0.365 32.145 32.500 0.015 0.000 0.714 29 K HN 0.328 nan 8.250 nan 0.000 0.438 30 A N -0.073 122.740 122.820 -0.011 0.000 1.933 30 A HA -0.085 4.234 4.320 -0.000 0.000 0.218 30 A C 1.273 178.646 177.584 -0.352 0.000 1.175 30 A CA 1.219 53.148 52.037 -0.179 0.000 0.628 30 A CB -0.430 18.449 19.000 -0.201 0.000 0.814 30 A HN 0.366 nan 8.150 nan 0.000 0.444 31 F N -0.527 119.439 119.950 0.026 0.000 2.750 31 F HA 0.239 4.765 4.527 -0.001 0.000 0.297 31 F C 1.693 177.511 175.800 0.030 0.000 1.138 31 F CA -0.127 57.891 58.000 0.028 0.000 1.346 31 F CB 0.018 39.038 39.000 0.034 0.000 0.965 31 F HN 0.326 nan 8.300 nan 0.000 0.514 32 Q N 0.622 120.491 119.800 0.115 0.000 2.197 32 Q HA -0.220 4.120 4.340 -0.000 0.000 0.207 32 Q C 1.218 177.266 176.000 0.081 0.000 0.984 32 Q CA 2.009 57.865 55.803 0.088 0.000 0.869 32 Q CB 0.058 28.822 28.738 0.044 0.000 0.906 32 Q HN 0.294 nan 8.270 nan 0.000 0.426 33 D N -0.261 120.180 120.400 0.069 0.000 2.310 33 D HA -0.116 4.524 4.640 -0.000 0.000 0.212 33 D C 1.509 177.861 176.300 0.086 0.000 0.965 33 D CA 0.495 54.532 54.000 0.062 0.000 0.879 33 D CB -0.008 40.816 40.800 0.040 0.000 0.921 33 D HN 0.176 nan 8.370 nan 0.000 0.510 34 R N 0.714 121.291 120.500 0.128 0.000 2.235 34 R HA -0.050 4.290 4.340 -0.000 0.000 0.213 34 R C 0.490 176.841 176.300 0.085 0.000 1.059 34 R CA 0.090 56.261 56.100 0.119 0.000 0.997 34 R CB -0.910 29.480 30.300 0.150 0.000 0.884 34 R HN 0.107 nan 8.270 nan 0.000 0.462 35 N N -0.602 118.147 118.700 0.081 0.000 2.740 35 N HA -0.224 4.516 4.740 -0.000 0.000 0.248 35 N C 0.392 175.938 175.510 0.061 0.000 1.062 35 N CA 0.727 53.815 53.050 0.064 0.000 0.704 35 N CB -0.936 37.581 38.487 0.051 0.000 0.968 35 N HN 0.321 nan 8.380 nan 0.000 0.547 36 A N -0.736 122.125 122.820 0.068 0.000 2.067 36 A HA 0.208 4.527 4.320 -0.000 0.000 0.217 36 A C 0.863 178.476 177.584 0.050 0.000 1.156 36 A CA 0.551 52.623 52.037 0.059 0.000 0.683 36 A CB 0.209 19.245 19.000 0.061 0.000 0.808 36 A HN 0.345 nan 8.150 nan 0.000 0.455 37 L N -1.014 120.240 121.223 0.051 0.000 2.295 37 L HA 0.509 4.849 4.340 -0.000 0.000 0.285 37 L C 1.236 178.137 176.870 0.052 0.000 1.035 37 L CA -0.309 54.554 54.840 0.040 0.000 0.806 37 L CB 1.661 43.740 42.059 0.033 0.000 1.214 37 L HN 0.185 nan 8.230 nan 0.000 0.426 38 A N 3.404 126.264 122.820 0.067 0.000 2.044 38 A HA 0.054 4.373 4.320 -0.000 0.000 0.213 38 A C 0.095 177.778 177.584 0.165 0.000 1.169 38 A CA 0.772 52.867 52.037 0.097 0.000 0.724 38 A CB 0.258 19.312 19.000 0.090 0.000 0.840 38 A HN 0.643 nan 8.150 nan 0.000 0.463 39 Y N -1.618 118.679 120.300 -0.005 0.000 2.442 39 Y HA 0.535 5.085 4.550 -0.000 0.000 0.330 39 Y C -1.904 173.994 175.900 -0.003 0.000 1.100 39 Y CA -1.436 56.663 58.100 -0.002 0.000 1.034 39 Y CB 1.774 40.229 38.460 -0.007 0.000 1.285 39 Y HN 0.134 nan 8.280 nan 0.000 0.440 40 L N 6.541 127.417 121.223 -0.578 0.000 2.528 40 L HA 0.497 4.836 4.340 -0.000 0.000 0.267 40 L C -2.062 174.537 176.870 -0.450 0.000 0.961 40 L CA -0.280 54.360 54.840 -0.334 0.000 0.866 40 L CB 1.788 43.789 42.059 -0.097 0.000 1.248 40 L HN 0.698 nan 8.230 nan 0.000 0.404 41 D N 3.580 123.819 120.400 -0.268 0.000 2.462 41 D HA 0.242 4.882 4.640 -0.000 0.000 0.249 41 D C 0.630 176.924 176.300 -0.011 0.000 1.117 41 D CA -0.102 53.810 54.000 -0.147 0.000 0.900 41 D CB 1.089 41.876 40.800 -0.021 0.000 1.039 41 D HN 0.741 nan 8.370 nan 0.000 0.516 42 E N 1.778 121.969 120.200 -0.014 0.000 2.085 42 E HA -0.192 4.157 4.350 -0.000 0.000 0.194 42 E C 1.185 177.795 176.600 0.016 0.000 0.994 42 E CA 1.103 57.512 56.400 0.015 0.000 0.801 42 E CB 0.413 30.113 29.700 0.001 0.000 0.743 42 E HN 0.602 nan 8.360 nan 0.000 0.453 43 E N 0.604 120.810 120.200 0.009 0.000 2.031 43 E HA -0.205 4.144 4.350 -0.000 0.000 0.193 43 E C 2.154 178.769 176.600 0.026 0.000 0.994 43 E CA 1.001 57.409 56.400 0.014 0.000 0.800 43 E CB -0.163 29.544 29.700 0.012 0.000 0.752 43 E HN 0.230 nan 8.360 nan 0.000 0.447 44 A N 1.402 124.246 122.820 0.039 0.000 1.940 44 A HA -0.152 4.167 4.320 -0.000 0.000 0.219 44 A C 2.363 179.982 177.584 0.057 0.000 1.176 44 A CA 1.812 53.881 52.037 0.053 0.000 0.631 44 A CB -0.631 18.416 19.000 0.078 0.000 0.814 44 A HN 0.307 nan 8.150 nan 0.000 0.446 45 A N -0.335 122.528 122.820 0.071 0.000 1.873 45 A HA -0.141 4.179 4.320 -0.000 0.000 0.215 45 A C 2.259 179.863 177.584 0.034 0.000 1.186 45 A CA 1.448 53.535 52.037 0.082 0.000 0.616 45 A CB -0.465 18.613 19.000 0.129 0.000 0.823 45 A HN 0.529 nan 8.150 nan 0.000 0.442 46 R N -0.485 120.025 120.500 0.017 0.000 2.081 46 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 46 R C 2.371 178.675 176.300 0.006 0.000 1.131 46 R CA 1.595 57.695 56.100 -0.000 0.000 0.960 46 R CB -0.292 30.006 30.300 -0.004 0.000 0.856 46 R HN 0.626 nan 8.270 nan 0.000 0.436 47 K N 0.976 121.385 120.400 0.014 0.000 2.032 47 K HA -0.241 4.079 4.320 -0.000 0.000 0.209 47 K C 1.992 178.600 176.600 0.012 0.000 1.048 47 K CA 1.882 58.178 56.287 0.014 0.000 0.927 47 K CB 0.024 32.535 32.500 0.019 0.000 0.712 47 K HN -0.064 nan 8.250 nan 0.000 0.441 48 E N 0.420 120.629 120.200 0.016 0.000 2.106 48 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 48 E C 1.637 178.234 176.600 -0.005 0.000 0.984 48 E CA 1.426 57.831 56.400 0.008 0.000 0.806 48 E CB -0.241 29.469 29.700 0.017 0.000 0.750 48 E HN 0.398 nan 8.360 nan 0.000 0.458 49 A N 0.606 123.424 122.820 -0.003 0.000 1.908 49 A HA -0.165 4.154 4.320 -0.000 0.000 0.218 49 A C 2.297 179.881 177.584 -0.001 0.000 1.181 49 A CA 1.551 53.581 52.037 -0.012 0.000 0.627 49 A CB -0.794 18.192 19.000 -0.023 0.000 0.818 49 A HN 0.350 nan 8.150 nan 0.000 0.445 50 L N -0.914 120.311 121.223 0.004 0.000 2.017 50 L HA -0.209 4.130 4.340 -0.000 0.000 0.208 50 L C 3.135 180.016 176.870 0.020 0.000 1.073 50 L CA 1.134 55.981 54.840 0.011 0.000 0.745 50 L CB -0.641 41.424 42.059 0.009 0.000 0.894 50 L HN 0.445 nan 8.230 nan 0.000 0.432 51 A N 0.189 123.018 122.820 0.015 0.000 1.877 51 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 51 A C 2.245 179.853 177.584 0.039 0.000 1.186 51 A CA 1.513 53.563 52.037 0.022 0.000 0.620 51 A CB -0.746 18.261 19.000 0.012 0.000 0.822 51 A HN 0.369 nan 8.150 nan 0.000 0.443 52 L N -0.821 120.410 121.223 0.013 0.000 2.141 52 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 52 L C 2.738 179.718 176.870 0.184 0.000 1.094 52 L CA 1.588 56.442 54.840 0.024 0.000 0.763 52 L CB -0.807 41.159 42.059 -0.154 0.000 0.908 52 L HN 0.353 nan 8.230 nan 0.000 0.437 53 T N -1.063 113.549 114.554 0.097 0.000 2.737 53 T HA -0.199 4.150 4.350 -0.000 0.000 0.265 53 T C 1.792 176.538 174.700 0.076 0.000 1.038 53 T CA 1.444 63.596 62.100 0.087 0.000 1.144 53 T CB -0.080 68.814 68.868 0.044 0.000 0.866 53 T HN 0.188 nan 8.240 nan 0.000 0.434 54 E N 1.367 121.603 120.200 0.061 0.000 2.077 54 E HA -0.111 4.238 4.350 -0.000 0.000 0.193 54 E C 2.124 178.756 176.600 0.053 0.000 0.989 54 E CA 1.366 57.793 56.400 0.046 0.000 0.800 54 E CB -0.199 29.523 29.700 0.035 0.000 0.746 54 E HN 0.543 nan 8.360 nan 0.000 0.452 55 E N -0.444 119.810 120.200 0.090 0.000 2.085 55 E HA -0.196 4.153 4.350 -0.000 0.000 0.194 55 E C 2.003 178.620 176.600 0.028 0.000 0.994 55 E CA 1.133 57.591 56.400 0.095 0.000 0.801 55 E CB -0.211 29.614 29.700 0.208 0.000 0.743 55 E HN 0.191 nan 8.360 nan 0.000 0.453 56 L N 1.252 122.489 121.223 0.023 0.000 2.046 56 L HA -0.160 4.179 4.340 -0.000 0.000 0.208 56 L C 2.047 178.890 176.870 -0.046 0.000 1.077 56 L CA 1.675 56.455 54.840 -0.100 0.000 0.747 56 L CB -0.164 41.864 42.059 -0.052 0.000 0.896 56 L HN -0.070 nan 8.230 nan 0.000 0.432 57 R N -0.296 120.201 120.500 -0.005 0.000 2.152 57 R HA -0.107 4.232 4.340 -0.000 0.000 0.232 57 R C 1.415 177.710 176.300 -0.009 0.000 1.117 57 R CA 1.454 57.551 56.100 -0.005 0.000 0.981 57 R CB -0.288 30.016 30.300 0.007 0.000 0.870 57 R HN 0.499 nan 8.270 nan 0.000 0.451 58 R N -0.502 119.993 120.500 -0.007 0.000 2.586 58 R HA 0.217 4.557 4.340 -0.000 0.000 0.306 58 R C 0.383 176.673 176.300 -0.017 0.000 1.079 58 R CA 0.439 56.535 56.100 -0.007 0.000 1.083 58 R CB 0.282 30.584 30.300 0.003 0.000 1.306 58 R HN 0.085 nan 8.270 nan 0.000 0.567 59 G N 1.316 110.095 108.800 -0.035 0.000 2.249 59 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.273 59 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.273 59 G C -0.336 174.535 174.900 -0.050 0.000 1.036 59 G CA 0.095 45.167 45.100 -0.047 0.000 0.824 59 G HN 0.442 nan 8.290 nan 0.000 0.504 60 Q N 0.054 119.820 119.800 -0.056 0.000 2.626 60 Q HA 0.413 4.753 4.340 -0.000 0.000 0.239 60 Q C 0.116 176.071 176.000 -0.076 0.000 1.101 60 Q CA -0.339 55.446 55.803 -0.029 0.000 0.918 60 Q CB 1.549 30.298 28.738 0.018 0.000 1.151 60 Q HN 0.272 nan 8.270 nan 0.000 0.531 61 V N 3.254 123.100 119.914 -0.114 0.000 2.408 61 V HA 0.179 4.299 4.120 -0.000 0.000 0.267 61 V C 1.560 177.701 176.094 0.078 0.000 1.047 61 V CA -0.099 62.102 62.300 -0.164 0.000 0.937 61 V CB 0.971 32.708 31.823 -0.144 0.000 0.999 61 V HN 0.602 nan 8.190 nan 0.000 0.472 62 R N 3.201 123.902 120.500 0.335 0.000 2.092 62 R HA 0.198 4.538 4.340 -0.000 0.000 0.231 62 R C 1.002 177.380 176.300 0.131 0.000 1.119 62 R CA 1.066 57.294 56.100 0.213 0.000 0.970 62 R CB 0.140 30.553 30.300 0.189 0.000 0.864 62 R HN 0.861 nan 8.270 nan 0.000 0.440 63 G N -1.325 107.569 108.800 0.157 0.000 2.427 63 G HA2 0.085 4.044 3.960 -0.000 0.000 0.306 63 G HA3 0.085 4.044 3.960 -0.000 0.000 0.306 63 G C -2.502 172.475 174.900 0.128 0.000 1.280 63 G CA -0.764 44.397 45.100 0.100 0.000 0.837 63 G HN -0.222 nan 8.290 nan 0.000 0.482 64 P HA 0.046 nan 4.420 nan 0.000 0.226 64 P C 1.165 178.614 177.300 0.249 0.000 1.153 64 P CA 0.815 64.035 63.100 0.200 0.000 0.777 64 P CB 0.323 32.141 31.700 0.196 0.000 0.794 65 L N -1.395 119.915 121.223 0.146 0.000 2.769 65 L HA 0.181 4.521 4.340 -0.000 0.000 0.240 65 L C 1.295 178.248 176.870 0.138 0.000 1.163 65 L CA -0.518 54.406 54.840 0.140 0.000 0.962 65 L CB -0.844 41.239 42.059 0.040 0.000 1.258 65 L HN 0.059 nan 8.230 nan 0.000 0.513 66 H N 1.911 121.019 119.070 0.063 0.000 3.216 66 H HA -0.049 4.507 4.556 -0.001 0.000 0.283 66 H C 1.203 176.559 175.328 0.046 0.000 0.921 66 H CA 1.407 57.483 56.048 0.047 0.000 1.419 66 H CB 0.538 30.324 29.762 0.040 0.000 1.460 66 H HN 0.460 nan 8.280 nan 0.000 0.553 67 G N 4.475 113.212 108.800 -0.106 0.000 2.179 67 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.260 67 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.260 67 G C 0.355 175.280 174.900 0.042 0.000 0.977 67 G CA 0.292 45.395 45.100 0.005 0.000 0.641 67 G HN 0.605 nan 8.290 nan 0.000 0.533 68 L N 2.547 123.807 121.223 0.062 0.000 2.281 68 L HA 0.389 4.729 4.340 -0.000 0.000 0.285 68 L C -1.652 175.269 176.870 0.085 0.000 1.074 68 L CA -2.057 52.829 54.840 0.077 0.000 0.817 68 L CB 1.145 43.270 42.059 0.111 0.000 1.168 68 L HN -0.026 nan 8.230 nan 0.000 0.434 69 P HA 0.285 nan 4.420 nan 0.000 0.282 69 P C -1.106 176.392 177.300 0.330 0.000 1.274 69 P CA -0.260 62.941 63.100 0.169 0.000 0.770 69 P CB 1.534 33.172 31.700 -0.105 0.000 0.867 70 L N 3.222 124.676 121.223 0.385 0.000 2.350 70 L HA 0.626 4.965 4.340 -0.000 0.000 0.260 70 L C 0.830 177.704 176.870 0.006 0.000 1.015 70 L CA -0.362 54.603 54.840 0.209 0.000 0.821 70 L CB 2.091 44.201 42.059 0.085 0.000 1.370 70 L HN 0.403 nan 8.230 nan 0.000 0.416 71 T N -1.612 112.879 114.554 -0.107 0.000 2.942 71 T HA 0.908 5.258 4.350 -0.000 0.000 0.289 71 T C -0.814 173.815 174.700 -0.119 0.000 1.044 71 T CA -0.808 61.130 62.100 -0.269 0.000 1.023 71 T CB 1.786 70.489 68.868 -0.274 0.000 1.123 71 T HN 0.253 nan 8.240 nan 0.000 0.512 72 V N 1.292 121.150 119.914 -0.094 0.000 2.623 72 V HA 0.463 4.583 4.120 -0.000 0.000 0.304 72 V C 0.111 176.253 176.094 0.080 0.000 1.054 72 V CA -1.243 61.050 62.300 -0.010 0.000 0.882 72 V CB 1.852 33.664 31.823 -0.019 0.000 1.002 72 V HN 1.079 nan 8.190 nan 0.000 0.424 73 K N 2.149 122.656 120.400 0.177 0.000 2.524 73 K HA -0.045 4.275 4.320 -0.000 0.000 0.279 73 K C 0.438 177.142 176.600 0.174 0.000 0.993 73 K CA 0.095 56.492 56.287 0.184 0.000 1.030 73 K CB 0.357 33.000 32.500 0.238 0.000 0.891 73 K HN 0.760 nan 8.250 nan 0.000 0.488 74 D N 3.952 124.407 120.400 0.091 0.000 2.490 74 D HA -0.013 4.627 4.640 -0.000 0.000 0.255 74 D C 0.503 176.814 176.300 0.018 0.000 1.248 74 D CA 0.227 54.262 54.000 0.058 0.000 0.887 74 D CB -0.084 40.742 40.800 0.044 0.000 0.978 74 D HN 0.494 nan 8.370 nan 0.000 0.491 75 L N -3.664 117.545 121.223 -0.024 0.000 2.920 75 L HA 0.487 4.826 4.340 -0.000 0.000 0.257 75 L C -0.269 176.474 176.870 -0.213 0.000 1.150 75 L CA -0.303 54.452 54.840 -0.141 0.000 0.959 75 L CB -0.493 41.429 42.059 -0.230 0.000 1.321 75 L HN -0.259 nan 8.230 nan 0.000 0.555 76 F N 2.573 122.521 119.950 -0.004 0.000 2.385 76 F HA 0.651 5.177 4.527 -0.001 0.000 0.360 76 F C -2.151 173.633 175.800 -0.026 0.000 1.122 76 F CA -2.451 55.541 58.000 -0.013 0.000 1.090 76 F CB 0.801 39.792 39.000 -0.014 0.000 1.150 76 F HN -0.198 nan 8.300 nan 0.000 0.472 77 P HA 0.156 nan 4.420 nan 0.000 0.271 77 P C -0.971 176.361 177.300 0.054 0.000 1.216 77 P CA 0.027 63.162 63.100 0.059 0.000 0.771 77 P CB 0.981 32.699 31.700 0.030 0.000 0.864 78 V N 4.200 124.122 119.914 0.012 0.000 2.709 78 V HA 0.241 4.361 4.120 -0.000 0.000 0.308 78 V C 0.182 176.266 176.094 -0.016 0.000 1.062 78 V CA -0.943 61.358 62.300 0.001 0.000 0.901 78 V CB 2.005 33.829 31.823 0.002 0.000 1.003 78 V HN 0.434 nan 8.190 nan 0.000 0.425 79 K N 2.591 122.986 120.400 -0.008 0.000 2.484 79 K HA 0.316 4.636 4.320 -0.000 0.000 0.280 79 K C 1.241 177.838 176.600 -0.005 0.000 1.013 79 K CA 1.038 57.320 56.287 -0.009 0.000 1.029 79 K CB 0.229 32.727 32.500 -0.002 0.000 0.902 79 K HN 1.210 nan 8.250 nan 0.000 0.481 80 G N 2.351 111.141 108.800 -0.016 0.000 2.184 80 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.264 80 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.264 80 G C -0.048 174.829 174.900 -0.039 0.000 0.975 80 G CA 0.172 45.271 45.100 -0.003 0.000 0.642 80 G HN 0.518 nan 8.290 nan 0.000 0.536 81 M N 1.086 120.612 119.600 -0.123 0.000 2.457 81 M HA 0.433 4.913 4.480 -0.000 0.000 0.300 81 M C -2.404 173.673 176.300 -0.370 0.000 1.141 81 M CA -1.964 53.126 55.300 -0.350 0.000 0.901 81 M CB 2.725 35.199 32.600 -0.210 0.000 1.687 81 M HN -0.012 nan 8.290 nan 0.000 0.449 82 P HA 0.234 nan 4.420 nan 0.000 0.274 82 P C -1.044 176.119 177.300 -0.227 0.000 1.237 82 P CA -0.217 62.685 63.100 -0.330 0.000 0.793 82 P CB 0.756 32.252 31.700 -0.340 0.000 0.977 83 T N 2.410 116.884 114.554 -0.134 0.000 2.809 83 T HA 0.341 4.691 4.350 -0.000 0.000 0.296 83 T C 0.908 175.567 174.700 -0.068 0.000 1.015 83 T CA -0.470 61.583 62.100 -0.079 0.000 0.954 83 T CB 1.162 69.999 68.868 -0.052 0.000 0.950 83 T HN 0.342 nan 8.240 nan 0.000 0.450 84 R N 2.052 122.522 120.500 -0.049 0.000 2.344 84 R HA 0.449 4.789 4.340 -0.000 0.000 0.209 84 R C 1.354 177.642 176.300 -0.021 0.000 0.886 84 R CA 0.295 56.366 56.100 -0.048 0.000 1.040 84 R CB 0.372 30.645 30.300 -0.045 0.000 1.114 84 R HN 0.739 nan 8.270 nan 0.000 0.547 85 A N 1.025 123.847 122.820 0.003 0.000 2.826 85 A HA -0.206 4.114 4.320 -0.000 0.000 0.274 85 A C 1.168 178.784 177.584 0.054 0.000 1.443 85 A CA 0.969 53.023 52.037 0.028 0.000 0.833 85 A CB -2.297 16.728 19.000 0.043 0.000 1.023 85 A HN 0.658 nan 8.150 nan 0.000 0.600 86 G N -2.815 106.017 108.800 0.053 0.000 2.203 86 G HA2 0.020 3.980 3.960 -0.000 0.000 0.263 86 G HA3 0.020 3.980 3.960 -0.000 0.000 0.263 86 G C 0.652 175.648 174.900 0.160 0.000 1.012 86 G CA 1.720 46.875 45.100 0.091 0.000 0.749 86 G HN 2.486 nan 8.290 nan 0.000 0.512 87 T N -2.136 112.458 114.554 0.067 0.000 2.887 87 T HA 0.663 5.013 4.350 -0.000 0.000 0.292 87 T C 0.795 175.290 174.700 -0.343 0.000 1.087 87 T CA -0.484 61.618 62.100 0.003 0.000 1.009 87 T CB 1.304 70.169 68.868 -0.005 0.000 1.203 87 T HN -0.085 nan 8.240 nan 0.000 0.518 88 K N 0.550 120.516 120.400 -0.723 0.000 2.355 88 K HA 0.428 4.748 4.320 -0.000 0.000 0.198 88 K C 0.680 176.922 176.600 -0.596 0.000 1.039 88 K CA -0.080 55.731 56.287 -0.793 0.000 1.075 88 K CB 0.547 32.240 32.500 -1.345 0.000 0.870 88 K HN 0.662 nan 8.250 nan 0.000 0.540 89 A N 3.300 125.743 122.820 -0.628 0.000 2.332 89 A HA 0.374 4.694 4.320 -0.000 0.000 0.258 89 A C -2.232 175.108 177.584 -0.407 0.000 1.087 89 A CA -1.038 50.612 52.037 -0.646 0.000 0.802 89 A CB -0.233 17.972 19.000 -1.325 0.000 1.042 89 A HN -0.054 nan 8.150 nan 0.000 0.489 90 P HA 0.328 nan 4.420 nan 0.000 0.271 90 P C -0.944 176.311 177.300 -0.074 0.000 1.218 90 P CA 0.146 63.120 63.100 -0.209 0.000 0.780 90 P CB 0.622 32.186 31.700 -0.227 0.000 0.901 91 L N 3.020 124.216 121.223 -0.045 0.000 2.322 91 L HA 0.511 4.851 4.340 -0.000 0.000 0.269 91 L C -1.877 174.988 176.870 -0.009 0.000 1.012 91 L CA -2.337 52.518 54.840 0.024 0.000 0.815 91 L CB 0.927 42.995 42.059 0.015 0.000 1.295 91 L HN 0.250 nan 8.230 nan 0.000 0.438 92 P HA 0.140 nan 4.420 nan 0.000 0.271 92 P C -2.520 174.754 177.300 -0.043 0.000 1.244 92 P CA -0.811 62.259 63.100 -0.049 0.000 0.793 92 P CB -0.334 31.309 31.700 -0.094 0.000 0.984 93 P HA 0.127 nan 4.420 nan 0.000 0.267 93 P C -1.014 176.265 177.300 -0.035 0.000 1.205 93 P CA 0.617 63.695 63.100 -0.036 0.000 0.765 93 P CB 0.538 32.219 31.700 -0.032 0.000 0.828 94 L N 4.382 125.586 121.223 -0.031 0.000 2.371 94 L HA 0.538 4.878 4.340 -0.000 0.000 0.262 94 L C -1.737 175.121 176.870 -0.020 0.000 1.006 94 L CA -2.131 52.693 54.840 -0.026 0.000 0.818 94 L CB 2.148 44.191 42.059 -0.027 0.000 1.354 94 L HN 0.334 nan 8.230 nan 0.000 0.415 95 P HA 0.089 nan 4.420 nan 0.000 0.275 95 P C 0.055 177.350 177.300 -0.008 0.000 1.266 95 P CA -0.407 62.688 63.100 -0.009 0.000 0.793 95 P CB 1.033 32.732 31.700 -0.002 0.000 1.074 96 E N -0.549 119.646 120.200 -0.009 0.000 2.204 96 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 96 E C 0.306 176.904 176.600 -0.004 0.000 0.989 96 E CA 0.756 57.149 56.400 -0.012 0.000 0.824 96 E CB 0.339 30.031 29.700 -0.013 0.000 0.756 96 E HN 0.549 nan 8.360 nan 0.000 0.477 97 E N -0.670 119.533 120.200 0.005 0.000 2.321 97 E HA 0.472 4.822 4.350 -0.000 0.000 0.278 97 E C -1.642 174.978 176.600 0.032 0.000 0.902 97 E CA -0.596 55.814 56.400 0.015 0.000 0.758 97 E CB 1.668 31.370 29.700 0.003 0.000 1.213 97 E HN 0.170 nan 8.360 nan 0.000 0.426 98 A N 3.070 125.930 122.820 0.067 0.000 2.351 98 A HA 0.229 4.549 4.320 -0.000 0.000 0.257 98 A C 0.942 178.554 177.584 0.047 0.000 1.087 98 A CA -0.130 51.971 52.037 0.107 0.000 0.798 98 A CB 0.949 20.122 19.000 0.288 0.000 1.033 98 A HN 0.818 nan 8.150 nan 0.000 0.488 99 R N 1.670 122.197 120.500 0.045 0.000 2.091 99 R HA -0.149 4.190 4.340 -0.000 0.000 0.238 99 R C 2.043 178.324 176.300 -0.032 0.000 1.136 99 R CA 2.549 58.653 56.100 0.006 0.000 0.959 99 R CB -0.795 29.510 30.300 0.009 0.000 0.856 99 R HN 0.824 nan 8.270 nan 0.000 0.437 100 A N -0.481 122.309 122.820 -0.049 0.000 1.972 100 A HA -0.076 4.244 4.320 -0.000 0.000 0.219 100 A C 2.289 179.752 177.584 -0.201 0.000 1.169 100 A CA 1.632 53.578 52.037 -0.153 0.000 0.635 100 A CB -0.531 18.309 19.000 -0.267 0.000 0.810 100 A HN 0.199 nan 8.150 nan 0.000 0.446 101 V N -0.073 119.729 119.914 -0.186 0.000 2.358 101 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 101 V C 2.607 178.647 176.094 -0.090 0.000 1.047 101 V CA 2.130 64.338 62.300 -0.153 0.000 1.035 101 V CB -0.763 31.004 31.823 -0.092 0.000 0.658 101 V HN 0.696 nan 8.190 nan 0.000 0.452 102 R N -0.134 120.329 120.500 -0.061 0.000 2.096 102 R HA -0.158 4.181 4.340 -0.000 0.000 0.235 102 R C 2.519 178.787 176.300 -0.053 0.000 1.127 102 R CA 1.267 57.341 56.100 -0.043 0.000 0.968 102 R CB -0.138 30.145 30.300 -0.028 0.000 0.861 102 R HN 0.309 nan 8.270 nan 0.000 0.440 103 R N 0.564 121.022 120.500 -0.070 0.000 2.081 103 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 103 R C 2.310 178.559 176.300 -0.084 0.000 1.131 103 R CA 1.282 57.337 56.100 -0.076 0.000 0.960 103 R CB -0.665 29.580 30.300 -0.091 0.000 0.856 103 R HN 0.339 nan 8.270 nan 0.000 0.436 104 L N -0.167 120.998 121.223 -0.098 0.000 2.027 104 L HA -0.088 4.251 4.340 -0.000 0.000 0.206 104 L C 2.847 179.680 176.870 -0.060 0.000 1.074 104 L CA 1.218 56.003 54.840 -0.091 0.000 0.745 104 L CB -0.475 41.523 42.059 -0.103 0.000 0.898 104 L HN 0.148 nan 8.230 nan 0.000 0.433 105 R N 0.695 121.164 120.500 -0.052 0.000 2.073 105 R HA -0.181 4.158 4.340 -0.000 0.000 0.234 105 R C 2.048 178.330 176.300 -0.030 0.000 1.134 105 R CA 1.666 57.745 56.100 -0.036 0.000 0.952 105 R CB -0.107 30.176 30.300 -0.029 0.000 0.850 105 R HN 0.396 nan 8.270 nan 0.000 0.433 106 E N -0.350 119.833 120.200 -0.029 0.000 2.338 106 E HA -0.129 4.221 4.350 -0.000 0.000 0.197 106 E C 1.524 178.117 176.600 -0.011 0.000 1.007 106 E CA 0.776 57.165 56.400 -0.018 0.000 0.849 106 E CB 0.070 29.759 29.700 -0.018 0.000 0.774 106 E HN 0.463 nan 8.360 nan 0.000 0.506 107 A N 0.341 123.146 122.820 -0.024 0.000 2.208 107 A HA 0.216 4.536 4.320 -0.000 0.000 0.209 107 A C 1.775 179.369 177.584 0.017 0.000 1.161 107 A CA 0.891 52.919 52.037 -0.014 0.000 0.782 107 A CB -0.109 18.857 19.000 -0.056 0.000 0.816 107 A HN 0.334 nan 8.150 nan 0.000 0.477 108 G N -2.194 106.602 108.800 -0.007 0.000 2.176 108 G HA2 0.132 4.091 3.960 -0.000 0.000 0.232 108 G HA3 0.132 4.091 3.960 -0.000 0.000 0.232 108 G C 0.440 175.295 174.900 -0.075 0.000 0.986 108 G CA 0.174 45.247 45.100 -0.044 0.000 0.643 108 G HN 1.528 nan 8.290 nan 0.000 0.522 109 A N -0.144 122.659 122.820 -0.028 0.000 2.483 109 A HA 0.613 4.933 4.320 -0.000 0.000 0.238 109 A C 0.391 177.973 177.584 -0.004 0.000 1.070 109 A CA 0.499 52.533 52.037 -0.005 0.000 0.770 109 A CB 0.635 19.636 19.000 0.002 0.000 1.008 109 A HN 1.505 nan 8.150 nan 0.000 0.497 110 L N 3.577 124.821 121.223 0.035 0.000 2.288 110 L HA 0.412 4.751 4.340 -0.000 0.000 0.283 110 L C -0.671 176.303 176.870 0.173 0.000 1.072 110 L CA 0.038 54.920 54.840 0.070 0.000 0.862 110 L CB -0.059 42.032 42.059 0.054 0.000 1.245 110 L HN 0.531 nan 8.230 nan 0.000 0.432 111 L N 6.158 127.451 121.223 0.117 0.000 2.295 111 L HA 0.214 4.554 4.340 -0.000 0.000 0.288 111 L C 0.561 177.516 176.870 0.143 0.000 1.079 111 L CA -0.108 54.787 54.840 0.092 0.000 0.830 111 L CB -0.069 41.999 42.059 0.015 0.000 1.200 111 L HN 0.733 nan 8.230 nan 0.000 0.438 112 F N 0.926 120.896 119.950 0.033 0.000 2.678 112 F HA 0.745 5.272 4.527 -0.001 0.000 0.305 112 F C 0.569 176.407 175.800 0.063 0.000 1.090 112 F CA -0.382 57.643 58.000 0.041 0.000 1.272 112 F CB 0.278 39.293 39.000 0.024 0.000 1.060 112 F HN 0.331 nan 8.300 nan 0.000 0.576 113 A N 0.430 122.947 122.820 -0.506 0.000 2.597 113 A HA 0.607 4.927 4.320 -0.000 0.000 0.292 113 A C -1.406 176.067 177.584 -0.186 0.000 1.057 113 A CA -1.081 50.775 52.037 -0.302 0.000 0.674 113 A CB 1.150 19.889 19.000 -0.434 0.000 1.278 113 A HN 0.022 nan 8.150 nan 0.000 0.416 114 K N 1.566 121.963 120.400 -0.004 0.000 2.159 114 K HA 0.632 4.952 4.320 -0.000 0.000 0.266 114 K C 0.105 176.714 176.600 0.014 0.000 0.975 114 K CA -0.153 56.148 56.287 0.024 0.000 0.865 114 K CB 1.587 34.137 32.500 0.084 0.000 1.087 114 K HN 0.958 nan 8.250 nan 0.000 0.446 115 T N -0.857 113.706 114.554 0.015 0.000 2.943 115 T HA 0.392 4.742 4.350 -0.000 0.000 0.284 115 T C 0.400 175.129 174.700 0.048 0.000 1.015 115 T CA -0.738 61.377 62.100 0.024 0.000 1.042 115 T CB 1.166 70.046 68.868 0.020 0.000 1.055 115 T HN 0.425 nan 8.240 nan 0.000 0.500 119 E N 5.492 125.665 120.200 -0.044 0.000 2.820 119 E HA -0.012 4.338 4.350 -0.000 0.000 0.251 119 E C 1.071 177.772 176.600 0.168 0.000 0.944 119 E CA 1.163 57.626 56.400 0.105 0.000 0.955 119 E CB -0.006 29.761 29.700 0.111 0.000 0.904 119 E HN 0.638 nan 8.360 nan 0.000 0.513 120 I N 1.814 122.459 120.570 0.126 0.000 5.839 120 I HA -0.411 3.758 4.170 -0.000 0.000 0.194 120 I C 0.730 176.901 176.117 0.090 0.000 1.676 120 I CA 0.871 62.223 61.300 0.086 0.000 2.300 120 I CB -2.371 35.606 38.000 -0.039 0.000 3.105 120 I HN 0.770 nan 8.210 nan 0.000 0.327 121 A N -0.751 122.138 122.820 0.115 0.000 2.979 121 A HA -0.218 4.102 4.320 -0.000 0.000 0.260 121 A C 0.449 178.076 177.584 0.071 0.000 1.282 121 A CA 1.220 53.314 52.037 0.095 0.000 0.971 121 A CB -1.856 17.176 19.000 0.053 0.000 1.124 121 A HN 1.344 nan 8.150 nan 0.000 0.826 122 L N 0.082 121.364 121.223 0.098 0.000 2.512 122 L HA 0.625 4.965 4.340 -0.000 0.000 0.247 122 L C 0.591 177.420 176.870 -0.068 0.000 1.204 122 L CA 1.226 56.084 54.840 0.031 0.000 1.153 122 L CB -0.193 41.874 42.059 0.013 0.000 1.415 122 L HN 1.431 nan 8.230 nan 0.000 0.406 123 G N 2.676 111.276 108.800 -0.332 0.000 2.358 123 G HA2 0.311 4.271 3.960 -0.000 0.000 0.301 123 G HA3 0.311 4.271 3.960 -0.000 0.000 0.301 123 G C -0.665 173.776 174.900 -0.765 0.000 1.539 123 G CA -0.127 44.437 45.100 -0.894 0.000 0.893 123 G HN 0.440 nan 8.290 nan 0.000 0.636 124 I N -1.739 118.547 120.570 -0.475 0.000 4.050 124 I HA 0.304 4.474 4.170 -0.000 0.000 0.327 124 I C 1.708 177.753 176.117 -0.120 0.000 1.473 124 I CA 0.848 62.016 61.300 -0.221 0.000 1.124 124 I CB 0.237 38.173 38.000 -0.107 0.000 1.129 124 I HN 0.579 nan 8.210 nan 0.000 0.428 125 T N -2.450 112.076 114.554 -0.047 0.000 2.976 125 T HA 0.367 4.716 4.350 -0.000 0.000 0.257 125 T C 1.818 176.591 174.700 0.122 0.000 1.051 125 T CA 0.990 63.113 62.100 0.039 0.000 1.141 125 T CB -0.530 68.329 68.868 -0.014 0.000 0.881 125 T HN 0.994 nan 8.240 nan 0.000 0.461 126 G N 1.141 110.124 108.800 0.305 0.000 2.175 126 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.244 126 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.244 126 G C -0.214 174.710 174.900 0.041 0.000 0.982 126 G CA 0.079 45.275 45.100 0.159 0.000 0.641 126 G HN 0.670 nan 8.290 nan 0.000 0.527 127 E N 0.750 120.956 120.200 0.010 0.000 2.259 127 E HA 0.467 4.817 4.350 -0.000 0.000 0.281 127 E C -0.288 176.168 176.600 -0.239 0.000 1.027 127 E CA -0.488 55.862 56.400 -0.084 0.000 0.838 127 E CB 0.873 30.536 29.700 -0.061 0.000 1.066 127 E HN 0.194 nan 8.360 nan 0.000 0.401 128 N N 4.048 122.629 118.700 -0.199 0.000 2.500 128 N HA 0.149 4.889 4.740 -0.000 0.000 0.291 128 N C -2.312 173.073 175.510 -0.207 0.000 1.092 128 N CA -1.881 51.022 53.050 -0.246 0.000 0.890 128 N CB 1.772 40.165 38.487 -0.157 0.000 1.466 128 N HN 0.178 nan 8.380 nan 0.000 0.507 129 P HA -0.010 nan 4.420 nan 0.000 0.225 129 P C 0.908 178.069 177.300 -0.232 0.000 1.156 129 P CA 0.768 63.646 63.100 -0.369 0.000 0.787 129 P CB 0.295 31.637 31.700 -0.597 0.000 0.802 130 W N 1.121 122.394 121.300 -0.045 0.000 2.441 130 W HA -0.057 4.602 4.660 -0.000 0.000 0.302 130 W C 2.528 179.029 176.519 -0.029 0.000 1.191 130 W CA 1.378 58.701 57.345 -0.038 0.000 1.327 130 W CB -0.965 28.467 29.460 -0.047 0.000 1.128 130 W HN -0.002 nan 8.180 nan 0.000 0.522 131 T N -2.485 112.190 114.554 0.203 0.000 3.037 131 T HA 0.500 4.850 4.350 -0.000 0.000 0.251 131 T C 0.937 175.675 174.700 0.062 0.000 1.079 131 T CA 0.479 62.648 62.100 0.114 0.000 1.067 131 T CB 0.064 68.986 68.868 0.090 0.000 0.948 131 T HN 0.291 nan 8.240 nan 0.000 0.496 132 G N 2.357 111.175 108.800 0.030 0.000 2.663 132 G HA2 0.074 4.034 3.960 -0.000 0.000 0.686 132 G HA3 0.074 4.034 3.960 -0.000 0.000 0.686 132 G C -3.206 171.690 174.900 -0.007 0.000 1.246 132 G CA -0.697 44.407 45.100 0.006 0.000 0.795 132 G HN 0.367 nan 8.290 nan 0.000 0.627 133 P HA 0.413 nan 4.420 nan 0.000 0.271 133 P C 0.138 177.448 177.300 0.016 0.000 1.218 133 P CA -0.179 62.915 63.100 -0.011 0.000 0.780 133 P CB 1.325 33.018 31.700 -0.012 0.000 0.901 134 V N 4.762 124.690 119.914 0.024 0.000 2.461 134 V HA 0.229 4.349 4.120 -0.000 0.000 0.275 134 V C 1.115 177.239 176.094 0.050 0.000 1.047 134 V CA -0.279 62.046 62.300 0.042 0.000 0.955 134 V CB 0.237 32.088 31.823 0.047 0.000 0.988 134 V HN 0.484 nan 8.190 nan 0.000 0.471 135 R N 3.511 124.044 120.500 0.056 0.000 2.428 135 R HA 0.302 4.642 4.340 -0.000 0.000 0.294 135 R C 0.318 176.656 176.300 0.064 0.000 1.000 135 R CA -0.738 55.398 56.100 0.059 0.000 0.960 135 R CB 0.754 31.089 30.300 0.059 0.000 1.076 135 R HN 0.714 nan 8.270 nan 0.000 0.475 136 N N 1.491 120.231 118.700 0.067 0.000 2.356 136 N HA -0.123 4.617 4.740 -0.000 0.000 0.252 136 N C 0.713 176.247 175.510 0.041 0.000 1.241 136 N CA 0.407 53.496 53.050 0.065 0.000 0.861 136 N CB 1.123 39.644 38.487 0.056 0.000 1.075 136 N HN 0.741 nan 8.380 nan 0.000 0.461 137 A N 3.874 126.705 122.820 0.019 0.000 1.940 137 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 137 A C 2.121 179.682 177.584 -0.038 0.000 1.176 137 A CA 1.520 53.532 52.037 -0.041 0.000 0.631 137 A CB -0.290 18.668 19.000 -0.070 0.000 0.814 137 A HN 0.559 nan 8.150 nan 0.000 0.446 138 V N -0.416 119.493 119.914 -0.008 0.000 2.535 138 V HA 0.023 4.143 4.120 -0.000 0.000 0.246 138 V C 0.461 176.568 176.094 0.021 0.000 1.045 138 V CA 1.517 63.816 62.300 -0.000 0.000 1.058 138 V CB -0.236 31.584 31.823 -0.006 0.000 0.689 138 V HN 0.608 nan 8.190 nan 0.000 0.461 139 D N -0.386 120.028 120.400 0.022 0.000 2.479 139 D HA 0.227 4.867 4.640 -0.000 0.000 0.246 139 D C -2.151 174.170 176.300 0.035 0.000 1.336 139 D CA -1.876 52.141 54.000 0.027 0.000 0.967 139 D CB 2.260 43.064 40.800 0.007 0.000 1.275 139 D HN 0.040 nan 8.370 nan 0.000 0.577 140 P HA -0.105 nan 4.420 nan 0.000 0.231 140 P C 0.849 178.171 177.300 0.037 0.000 1.158 140 P CA 0.601 63.734 63.100 0.054 0.000 0.763 140 P CB 0.222 31.964 31.700 0.069 0.000 0.805 141 S N -2.373 113.344 115.700 0.027 0.000 2.548 141 S HA 0.129 4.599 4.470 -0.000 0.000 0.215 141 S C 1.071 175.679 174.600 0.013 0.000 0.976 141 S CA -0.399 57.812 58.200 0.018 0.000 0.908 141 S CB -0.162 63.046 63.200 0.013 0.000 0.781 141 S HN -0.055 nan 8.310 nan 0.000 0.519 142 R N 1.765 122.273 120.500 0.012 0.000 2.643 142 R HA 0.439 4.779 4.340 -0.000 0.000 0.272 142 R C -0.276 176.042 176.300 0.030 0.000 0.995 142 R CA -0.508 55.593 56.100 0.001 0.000 1.032 142 R CB 0.366 30.647 30.300 -0.031 0.000 1.126 142 R HN 0.446 nan 8.270 nan 0.000 0.505 143 Q N 0.361 120.187 119.800 0.045 0.000 2.337 143 Q HA 0.158 4.498 4.340 -0.000 0.000 0.270 143 Q C 0.701 176.827 176.000 0.210 0.000 1.002 143 Q CA 0.129 56.003 55.803 0.119 0.000 0.888 143 Q CB 0.860 29.702 28.738 0.172 0.000 1.222 143 Q HN 0.727 nan 8.270 nan 0.000 0.400 144 A N 2.930 125.851 122.820 0.168 0.000 2.067 144 A HA 0.268 4.588 4.320 -0.000 0.000 0.217 144 A C 0.992 178.687 177.584 0.185 0.000 1.156 144 A CA 0.950 53.089 52.037 0.170 0.000 0.683 144 A CB -0.541 18.516 19.000 0.095 0.000 0.808 144 A HN 1.026 nan 8.150 nan 0.000 0.455 145 G N -2.637 106.253 108.800 0.150 0.000 2.796 145 G HA2 0.407 4.367 3.960 -0.000 0.000 0.571 145 G HA3 0.407 4.367 3.960 -0.000 0.000 0.571 145 G C 0.179 175.008 174.900 -0.119 0.000 1.370 145 G CA -0.396 44.639 45.100 -0.108 0.000 0.856 145 G HN 1.691 nan 8.290 nan 0.000 0.538 146 G N -2.419 106.262 108.800 -0.199 0.000 2.827 146 G HA2 0.797 4.757 3.960 -0.000 0.000 0.296 146 G HA3 0.797 4.757 3.960 -0.000 0.000 0.296 146 G C 0.734 175.581 174.900 -0.089 0.000 1.362 146 G CA 0.799 45.848 45.100 -0.085 0.000 0.809 146 G HN 2.112 nan 8.290 nan 0.000 0.522 147 S N -1.348 114.344 115.700 -0.013 0.000 2.572 147 S HA 0.225 4.695 4.470 -0.000 0.000 0.228 147 S C 0.759 175.397 174.600 0.063 0.000 0.963 147 S CA 0.334 58.574 58.200 0.066 0.000 0.939 147 S CB 0.423 63.677 63.200 0.089 0.000 0.804 147 S HN 0.311 nan 8.310 nan 0.000 0.480 148 S N 1.546 117.269 115.700 0.037 0.000 2.519 148 S HA 0.380 4.850 4.470 -0.000 0.000 0.245 148 S C 1.631 176.255 174.600 0.041 0.000 1.152 148 S CA -0.163 58.069 58.200 0.052 0.000 1.175 148 S CB 0.110 63.345 63.200 0.059 0.000 0.829 148 S HN 0.673 nan 8.310 nan 0.000 0.472 149 G N 2.356 111.179 108.800 0.040 0.000 2.459 149 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.217 149 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.217 149 G C 1.446 176.374 174.900 0.046 0.000 1.183 149 G CA 0.813 45.936 45.100 0.038 0.000 0.776 149 G HN 0.584 nan 8.290 nan 0.000 0.552 150 G N 0.390 109.219 108.800 0.049 0.000 2.442 150 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.219 150 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.219 150 G C 2.143 177.068 174.900 0.041 0.000 1.141 150 G CA 1.489 46.616 45.100 0.046 0.000 0.763 150 G HN 0.431 nan 8.290 nan 0.000 0.554 151 S N 0.871 116.597 115.700 0.045 0.000 2.368 151 S HA 0.001 4.471 4.470 -0.000 0.000 0.225 151 S C 2.794 177.420 174.600 0.044 0.000 1.030 151 S CA 1.212 59.438 58.200 0.043 0.000 0.999 151 S CB -0.348 62.885 63.200 0.056 0.000 0.844 151 S HN 0.590 nan 8.310 nan 0.000 0.459 152 A N 0.987 123.834 122.820 0.045 0.000 1.898 152 A HA -0.022 4.298 4.320 -0.000 0.000 0.216 152 A C 2.321 179.927 177.584 0.038 0.000 1.181 152 A CA 1.392 53.457 52.037 0.046 0.000 0.620 152 A CB -0.838 18.191 19.000 0.048 0.000 0.819 152 A HN 0.342 nan 8.150 nan 0.000 0.442 153 V N -0.076 119.859 119.914 0.035 0.000 2.358 153 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 153 V C 3.041 179.136 176.094 0.002 0.000 1.047 153 V CA 1.832 64.142 62.300 0.017 0.000 1.035 153 V CB -1.235 30.605 31.823 0.028 0.000 0.658 153 V HN 0.612 nan 8.190 nan 0.000 0.452 154 A N -0.067 122.769 122.820 0.026 0.000 1.877 154 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 154 A C 2.396 180.005 177.584 0.041 0.000 1.186 154 A CA 2.182 54.244 52.037 0.042 0.000 0.620 154 A CB -0.747 18.284 19.000 0.051 0.000 0.822 154 A HN 0.332 nan 8.150 nan 0.000 0.443 155 V N -0.149 119.790 119.914 0.042 0.000 2.343 155 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 155 V C 3.035 179.140 176.094 0.019 0.000 1.051 155 V CA 1.923 64.250 62.300 0.045 0.000 1.036 155 V CB -1.220 30.634 31.823 0.052 0.000 0.654 155 V HN 0.623 nan 8.190 nan 0.000 0.451 156 A N -0.433 122.387 122.820 -0.001 0.000 1.933 156 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 156 A C 2.069 179.600 177.584 -0.088 0.000 1.175 156 A CA 1.531 53.550 52.037 -0.030 0.000 0.628 156 A CB -0.409 18.573 19.000 -0.030 0.000 0.814 156 A HN 0.533 nan 8.150 nan 0.000 0.444 157 L N -1.468 119.679 121.223 -0.127 0.000 2.592 157 L HA 0.229 4.569 4.340 -0.000 0.000 0.227 157 L C 1.575 178.383 176.870 -0.102 0.000 1.127 157 L CA 0.482 55.178 54.840 -0.241 0.000 0.884 157 L CB -0.093 41.730 42.059 -0.393 0.000 1.065 157 L HN 0.575 nan 8.230 nan 0.000 0.457 158 G N 1.033 109.821 108.800 -0.019 0.000 2.143 158 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.249 158 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.249 158 G C 0.259 175.206 174.900 0.077 0.000 0.981 158 G CA -0.255 44.863 45.100 0.030 0.000 0.665 158 G HN 0.324 nan 8.290 nan 0.000 0.528 159 I N 1.973 122.607 120.570 0.106 0.000 2.268 159 I HA 0.462 4.632 4.170 -0.000 0.000 0.298 159 I C 1.233 177.547 176.117 0.329 0.000 1.185 159 I CA 0.897 62.321 61.300 0.207 0.000 1.548 159 I CB -0.388 37.728 38.000 0.193 0.000 1.492 159 I HN 0.817 nan 8.210 nan 0.000 0.711 160 G N 3.769 112.753 108.800 0.307 0.000 2.663 160 G HA2 -0.173 3.786 3.960 -0.000 0.000 0.686 160 G HA3 -0.173 3.786 3.960 -0.000 0.000 0.686 160 G C -0.011 175.003 174.900 0.189 0.000 1.246 160 G CA -0.905 44.422 45.100 0.379 0.000 0.795 160 G HN 0.398 nan 8.290 nan 0.000 0.627 161 L N 0.614 121.932 121.223 0.159 0.000 2.446 161 L HA 0.525 4.865 4.340 -0.000 0.000 0.219 161 L C 1.514 178.447 176.870 0.104 0.000 1.116 161 L CA 1.414 56.320 54.840 0.109 0.000 0.844 161 L CB -0.430 41.687 42.059 0.098 0.000 0.970 161 L HN 1.330 nan 8.230 nan 0.000 0.457 162 A N -1.600 121.286 122.820 0.111 0.000 2.540 162 A HA 0.697 5.016 4.320 -0.000 0.000 0.291 162 A C -1.162 176.462 177.584 0.067 0.000 1.083 162 A CA -0.337 51.752 52.037 0.087 0.000 0.650 162 A CB 1.632 20.684 19.000 0.088 0.000 1.292 162 A HN -0.168 nan 8.150 nan 0.000 0.435 163 S N -1.264 114.464 115.700 0.047 0.000 2.579 163 S HA 0.686 5.156 4.470 -0.000 0.000 0.272 163 S C -2.123 172.484 174.600 0.011 0.000 1.141 163 S CA -0.380 57.833 58.200 0.022 0.000 0.843 163 S CB 1.436 64.654 63.200 0.030 0.000 1.122 163 S HN 1.856 nan 8.310 nan 0.000 0.468 164 L N 2.944 124.156 121.223 -0.018 0.000 2.313 164 L HA 0.942 5.282 4.340 -0.000 0.000 0.283 164 L C 0.170 177.096 176.870 0.094 0.000 1.013 164 L CA 0.409 55.219 54.840 -0.050 0.000 0.816 164 L CB 0.921 42.822 42.059 -0.263 0.000 1.236 164 L HN 0.802 nan 8.230 nan 0.000 0.419 165 G N 1.983 110.888 108.800 0.174 0.000 3.086 165 G HA2 0.724 4.684 3.960 -0.000 0.000 0.282 165 G HA3 0.724 4.684 3.960 -0.000 0.000 0.282 165 G C -1.137 173.954 174.900 0.318 0.000 1.343 165 G CA 0.033 45.298 45.100 0.275 0.000 0.895 165 G HN 0.730 nan 8.290 nan 0.000 0.557 166 T N -2.195 112.478 114.554 0.198 0.000 2.901 166 T HA 0.682 5.032 4.350 -0.000 0.000 0.293 166 T C -1.855 172.905 174.700 0.100 0.000 1.084 166 T CA -0.721 61.470 62.100 0.152 0.000 1.008 166 T CB 2.688 71.595 68.868 0.065 0.000 1.170 166 T HN 0.481 nan 8.240 nan 0.000 0.509 167 D N -0.178 120.288 120.400 0.110 0.000 2.736 167 D HA 0.388 5.028 4.640 -0.000 0.000 0.243 167 D C 0.058 176.439 176.300 0.134 0.000 1.304 167 D CA -0.397 53.644 54.000 0.068 0.000 0.934 167 D CB 2.374 43.166 40.800 -0.015 0.000 1.382 167 D HN 0.602 nan 8.370 nan 0.000 0.571 168 T N 1.214 115.856 114.554 0.146 0.000 3.056 168 T HA 0.246 4.596 4.350 -0.000 0.000 0.243 168 T C 1.253 176.112 174.700 0.264 0.000 0.995 168 T CA 0.527 62.774 62.100 0.244 0.000 1.091 168 T CB 0.741 69.742 68.868 0.222 0.000 0.990 168 T HN 0.456 nan 8.240 nan 0.000 0.464 169 G N -0.404 108.483 108.800 0.144 0.000 3.651 169 G HA2 0.489 4.449 3.960 -0.000 0.000 0.267 169 G HA3 0.489 4.449 3.960 -0.000 0.000 0.267 169 G C 0.800 175.624 174.900 -0.127 0.000 1.009 169 G CA 0.216 45.247 45.100 -0.116 0.000 0.866 169 G HN 0.686 nan 8.290 nan 0.000 0.488 170 G N -0.220 108.554 108.800 -0.043 0.000 2.507 170 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.205 170 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.205 170 G C 1.097 175.976 174.900 -0.035 0.000 0.996 170 G CA 0.517 45.595 45.100 -0.037 0.000 0.776 170 G HN 0.216 nan 8.290 nan 0.000 0.532 171 S N -0.135 115.555 115.700 -0.017 0.000 2.528 171 S HA 0.065 4.535 4.470 -0.000 0.000 0.244 171 S C 2.021 176.616 174.600 -0.008 0.000 0.982 171 S CA 1.305 59.495 58.200 -0.017 0.000 0.953 171 S CB -0.070 63.139 63.200 0.015 0.000 0.754 171 S HN 0.562 nan 8.310 nan 0.000 0.529 172 I N -0.275 120.294 120.570 -0.002 0.000 3.136 172 I HA 0.068 4.237 4.170 -0.000 0.000 0.262 172 I C 2.301 178.424 176.117 0.011 0.000 1.132 172 I CA 0.199 61.509 61.300 0.016 0.000 1.450 172 I CB 0.038 38.052 38.000 0.024 0.000 1.315 172 I HN 0.041 nan 8.210 nan 0.000 0.460 173 R N 0.884 121.388 120.500 0.006 0.000 2.081 173 R HA -0.074 4.265 4.340 -0.000 0.000 0.235 173 R C 2.222 178.530 176.300 0.013 0.000 1.131 173 R CA 1.435 57.552 56.100 0.028 0.000 0.960 173 R CB -0.338 29.982 30.300 0.034 0.000 0.856 173 R HN 0.290 nan 8.270 nan 0.000 0.436 174 I N 1.196 121.733 120.570 -0.055 0.000 2.142 174 I HA -0.206 3.964 4.170 -0.000 0.000 0.240 174 I C -0.710 175.223 176.117 -0.306 0.000 1.078 174 I CA 1.255 62.443 61.300 -0.188 0.000 1.343 174 I CB -1.092 36.728 38.000 -0.299 0.000 1.046 174 I HN 0.129 nan 8.210 nan 0.000 0.405 175 P HA -0.143 nan 4.420 nan 0.000 0.219 175 P C 1.381 178.696 177.300 0.026 0.000 1.150 175 P CA 1.861 64.877 63.100 -0.140 0.000 0.814 175 P CB 0.019 31.672 31.700 -0.077 0.000 0.787 176 A N 0.735 123.579 122.820 0.041 0.000 1.877 176 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 176 A C 2.634 180.299 177.584 0.134 0.000 1.186 176 A CA 2.127 54.215 52.037 0.087 0.000 0.620 176 A CB -1.958 17.094 19.000 0.087 0.000 0.822 176 A HN 0.282 nan 8.150 nan 0.000 0.443 177 G N -1.100 107.801 108.800 0.167 0.000 2.433 177 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.216 177 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.216 177 G C 1.326 176.421 174.900 0.325 0.000 1.186 177 G CA 1.122 46.370 45.100 0.247 0.000 0.779 177 G HN 0.349 nan 8.290 nan 0.000 0.543 178 F N 1.585 121.566 119.950 0.051 0.000 2.154 178 F HA -0.047 4.480 4.527 -0.000 0.000 0.301 178 F C 2.343 178.154 175.800 0.018 0.000 1.087 178 F CA 1.043 59.060 58.000 0.028 0.000 1.274 178 F CB -0.204 38.797 39.000 0.002 0.000 1.009 178 F HN 0.160 nan 8.300 nan 0.000 0.485 179 N N -0.935 117.898 118.700 0.221 0.000 2.236 179 N HA 0.128 4.868 4.740 -0.000 0.000 0.196 179 N C 1.342 176.896 175.510 0.073 0.000 1.114 179 N CA 0.910 54.028 53.050 0.114 0.000 0.859 179 N CB 0.559 39.101 38.487 0.092 0.000 0.982 179 N HN 0.278 nan 8.380 nan 0.000 0.493 180 G N 1.344 110.197 108.800 0.089 0.000 2.182 180 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.248 180 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.248 180 G C 0.166 175.102 174.900 0.061 0.000 1.042 180 G CA 0.696 45.835 45.100 0.065 0.000 0.775 180 G HN 0.299 nan 8.290 nan 0.000 0.501 181 V N -3.872 116.086 119.914 0.074 0.000 3.182 181 V HA 0.918 5.038 4.120 -0.000 0.000 0.311 181 V C 0.637 176.782 176.094 0.085 0.000 1.221 181 V CA -1.212 61.129 62.300 0.069 0.000 1.060 181 V CB 1.937 33.797 31.823 0.061 0.000 1.164 181 V HN 0.530 nan 8.190 nan 0.000 0.466 182 V N 0.786 120.751 119.914 0.085 0.000 2.481 182 V HA 0.800 4.919 4.120 -0.000 0.000 0.286 182 V C 0.715 176.879 176.094 0.115 0.000 1.042 182 V CA 0.619 62.978 62.300 0.099 0.000 0.928 182 V CB 0.989 32.867 31.823 0.091 0.000 0.986 182 V HN 1.305 nan 8.190 nan 0.000 0.462 183 G N 3.514 112.396 108.800 0.137 0.000 2.707 183 G HA2 0.613 4.573 3.960 -0.000 0.000 0.299 183 G HA3 0.613 4.573 3.960 -0.000 0.000 0.299 183 G C -1.699 173.337 174.900 0.226 0.000 1.442 183 G CA -0.351 44.837 45.100 0.147 0.000 1.009 183 G HN 0.424 nan 8.290 nan 0.000 0.515 184 F N 2.717 122.692 119.950 0.042 0.000 2.449 184 F HA 0.611 5.138 4.527 -0.000 0.000 0.342 184 F C -0.018 175.800 175.800 0.031 0.000 1.127 184 F CA -1.496 56.526 58.000 0.036 0.000 0.975 184 F CB 2.197 41.226 39.000 0.048 0.000 1.146 184 F HN 0.299 nan 8.300 nan 0.000 0.444 185 K N 8.552 128.597 120.400 -0.591 0.000 2.347 185 K HA 0.447 4.767 4.320 -0.000 0.000 0.262 185 K C -2.796 173.220 176.600 -0.974 0.000 1.052 185 K CA -1.895 54.048 56.287 -0.573 0.000 0.946 185 K CB 1.053 33.330 32.500 -0.373 0.000 1.220 185 K HN 0.325 nan 8.250 nan 0.000 0.450 186 P HA 0.038 nan 4.420 nan 0.000 0.275 186 P C -0.631 176.543 177.300 -0.210 0.000 1.270 186 P CA -0.385 62.332 63.100 -0.638 0.000 0.791 186 P CB 0.565 32.127 31.700 -0.229 0.000 1.089 187 S N -0.761 114.866 115.700 -0.121 0.000 2.563 187 S HA -0.027 4.443 4.470 -0.000 0.000 0.284 187 S C -0.111 174.471 174.600 -0.029 0.000 1.331 187 S CA -0.005 58.096 58.200 -0.165 0.000 1.047 187 S CB -0.462 62.603 63.200 -0.225 0.000 0.859 187 S HN 0.301 nan 8.310 nan 0.000 0.514 188 Y N 1.926 122.138 120.300 -0.147 0.000 2.904 188 Y HA 0.225 4.774 4.550 -0.001 0.000 0.336 188 Y C 1.451 177.291 175.900 -0.101 0.000 1.263 188 Y CA 1.421 59.383 58.100 -0.229 0.000 1.547 188 Y CB -0.244 38.132 38.460 -0.140 0.000 1.272 188 Y HN 0.930 nan 8.280 nan 0.000 0.596 189 G N 4.671 112.979 108.800 -0.820 0.000 2.245 189 G HA2 -0.439 3.520 3.960 -0.000 0.000 0.264 189 G HA3 -0.439 3.520 3.960 -0.000 0.000 0.264 189 G C 1.459 176.236 174.900 -0.206 0.000 0.985 189 G CA 0.761 45.537 45.100 -0.540 0.000 0.625 189 G HN 0.784 nan 8.290 nan 0.000 0.536 190 R N 0.073 120.501 120.500 -0.119 0.000 2.091 190 R HA 0.117 4.456 4.340 -0.000 0.000 0.238 190 R C 0.782 177.052 176.300 -0.050 0.000 1.136 190 R CA 1.732 57.807 56.100 -0.042 0.000 0.959 190 R CB -0.138 30.161 30.300 -0.001 0.000 0.856 190 R HN 0.343 nan 8.270 nan 0.000 0.437 191 V N 1.283 121.155 119.914 -0.069 0.000 2.370 191 V HA 0.117 4.236 4.120 -0.000 0.000 0.279 191 V C -0.066 175.989 176.094 -0.064 0.000 1.029 191 V CA -0.536 61.733 62.300 -0.052 0.000 0.870 191 V CB 1.435 33.239 31.823 -0.031 0.000 0.984 191 V HN 0.227 nan 8.190 nan 0.000 0.451 192 S N 4.439 120.111 115.700 -0.047 0.000 2.549 192 S HA 0.239 4.708 4.470 -0.000 0.000 0.286 192 S C 0.549 175.162 174.600 0.022 0.000 1.314 192 S CA -0.176 58.002 58.200 -0.035 0.000 1.062 192 S CB 0.168 63.355 63.200 -0.022 0.000 0.865 192 S HN 0.632 nan 8.310 nan 0.000 0.498 193 L N 3.472 124.701 121.223 0.010 0.000 2.818 193 L HA 0.330 4.670 4.340 -0.000 0.000 0.243 193 L C 0.987 177.890 176.870 0.054 0.000 1.185 193 L CA -0.076 54.808 54.840 0.074 0.000 0.988 193 L CB 0.008 42.067 42.059 0.001 0.000 1.292 193 L HN 0.722 nan 8.230 nan 0.000 0.519 194 E N 0.476 120.699 120.200 0.038 0.000 2.415 194 E HA 0.158 4.508 4.350 -0.000 0.000 0.263 194 E C 1.156 177.786 176.600 0.049 0.000 0.995 194 E CA 0.855 57.271 56.400 0.026 0.000 0.915 194 E CB 0.534 30.241 29.700 0.012 0.000 0.951 194 E HN 0.337 nan 8.360 nan 0.000 0.449 195 G N 2.466 111.283 108.800 0.028 0.000 2.179 195 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.260 195 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.260 195 G C 0.140 175.062 174.900 0.037 0.000 0.977 195 G CA 0.170 45.289 45.100 0.033 0.000 0.641 195 G HN 0.845 nan 8.290 nan 0.000 0.533 196 A N -0.267 122.566 122.820 0.023 0.000 2.295 196 A HA 0.815 5.135 4.320 -0.000 0.000 0.318 196 A C 0.208 177.715 177.584 -0.128 0.000 1.134 196 A CA -0.298 51.687 52.037 -0.086 0.000 0.827 196 A CB 1.170 20.028 19.000 -0.236 0.000 1.136 196 A HN 1.505 nan 8.150 nan 0.000 0.493 197 L N 4.075 125.201 121.223 -0.162 0.000 2.477 197 L HA 0.345 4.685 4.340 -0.000 0.000 0.272 197 L C -1.862 174.944 176.870 -0.107 0.000 1.157 197 L CA -0.826 53.952 54.840 -0.103 0.000 0.889 197 L CB 0.066 42.090 42.059 -0.059 0.000 1.158 197 L HN 0.504 nan 8.230 nan 0.000 0.473 198 P HA 0.162 nan 4.420 nan 0.000 0.281 198 P C -0.290 177.004 177.300 -0.010 0.000 1.264 198 P CA -0.575 62.494 63.100 -0.051 0.000 0.824 198 P CB 2.126 33.798 31.700 -0.047 0.000 1.092 199 L N 0.718 121.949 121.223 0.015 0.000 2.777 199 L HA 0.366 4.706 4.340 -0.000 0.000 0.172 199 L C 0.530 177.411 176.870 0.019 0.000 1.179 199 L CA 1.097 55.964 54.840 0.045 0.000 0.859 199 L CB -0.453 41.639 42.059 0.054 0.000 1.269 199 L HN 0.424 nan 8.230 nan 0.000 0.511 200 S N -0.458 115.262 115.700 0.034 0.000 2.718 200 S HA 0.377 4.847 4.470 -0.000 0.000 0.294 200 S C 0.818 175.464 174.600 0.077 0.000 1.157 200 S CA -0.594 57.629 58.200 0.038 0.000 1.121 200 S CB 0.628 63.846 63.200 0.031 0.000 1.015 200 S HN 0.314 nan 8.310 nan 0.000 0.479 201 R N 1.922 122.461 120.500 0.066 0.000 2.139 201 R HA -0.085 4.254 4.340 -0.000 0.000 0.243 201 R C 1.974 178.388 176.300 0.190 0.000 1.145 201 R CA 1.855 58.015 56.100 0.101 0.000 0.976 201 R CB -0.239 30.103 30.300 0.070 0.000 0.866 201 R HN 0.728 nan 8.270 nan 0.000 0.449 202 S N -1.471 114.311 115.700 0.137 0.000 2.575 202 S HA 0.079 4.549 4.470 -0.000 0.000 0.215 202 S C 1.002 175.567 174.600 -0.058 0.000 0.966 202 S CA 0.384 58.609 58.200 0.042 0.000 0.911 202 S CB 0.706 63.908 63.200 0.005 0.000 0.780 202 S HN 0.118 nan 8.310 nan 0.000 0.514 203 T N 0.507 115.139 114.554 0.131 0.000 3.009 203 T HA 0.224 4.573 4.350 -0.000 0.000 0.267 203 T C -0.497 174.412 174.700 0.348 0.000 0.942 203 T CA -0.396 61.820 62.100 0.193 0.000 0.883 203 T CB 0.129 69.098 68.868 0.170 0.000 1.192 203 T HN 0.271 nan 8.240 nan 0.000 0.524 204 D N 2.228 122.792 120.400 0.273 0.000 2.399 204 D HA 0.352 4.991 4.640 -0.000 0.000 0.241 204 D C -0.307 176.079 176.300 0.143 0.000 1.133 204 D CA 0.596 54.732 54.000 0.226 0.000 0.890 204 D CB 0.504 41.367 40.800 0.104 0.000 1.201 204 D HN 0.343 nan 8.370 nan 0.000 0.432 205 H N -1.042 118.079 119.070 0.085 0.000 2.894 205 H HA 0.615 5.171 4.556 -0.000 0.000 0.367 205 H C -0.705 174.650 175.328 0.044 0.000 1.144 205 H CA -0.779 55.286 56.048 0.028 0.000 1.180 205 H CB 1.670 31.442 29.762 0.018 0.000 1.758 205 H HN 0.349 nan 8.280 nan 0.000 0.541 206 A N 1.936 124.848 122.820 0.154 0.000 2.305 206 A HA 0.832 5.152 4.320 -0.000 0.000 0.322 206 A C 0.111 177.755 177.584 0.099 0.000 1.187 206 A CA 0.072 52.231 52.037 0.202 0.000 0.825 206 A CB 0.694 19.826 19.000 0.220 0.000 1.164 206 A HN 0.861 nan 8.150 nan 0.000 0.498 207 G N 1.281 110.137 108.800 0.094 0.000 2.601 207 G HA2 0.697 4.656 3.960 -0.000 0.000 0.291 207 G HA3 0.697 4.656 3.960 -0.000 0.000 0.291 207 G C -3.481 171.458 174.900 0.065 0.000 1.456 207 G CA -0.935 44.192 45.100 0.045 0.000 0.804 207 G HN 0.554 nan 8.290 nan 0.000 0.499 208 P HA 0.590 nan 4.420 nan 0.000 0.282 208 P C -0.985 176.381 177.300 0.111 0.000 1.259 208 P CA -0.581 62.572 63.100 0.088 0.000 0.826 208 P CB 2.259 34.016 31.700 0.094 0.000 1.064 209 L N 1.858 123.133 121.223 0.088 0.000 2.349 209 L HA 0.521 4.861 4.340 -0.000 0.000 0.278 209 L C 0.713 177.633 176.870 0.085 0.000 0.996 209 L CA -0.030 54.863 54.840 0.088 0.000 0.825 209 L CB 1.939 44.041 42.059 0.072 0.000 1.243 209 L HN 0.539 nan 8.230 nan 0.000 0.412 210 T N -1.413 113.195 114.554 0.091 0.000 2.804 210 T HA 0.476 4.826 4.350 -0.000 0.000 0.290 210 T C 0.560 175.304 174.700 0.074 0.000 1.099 210 T CA -0.887 61.264 62.100 0.086 0.000 1.011 210 T CB 1.808 70.736 68.868 0.099 0.000 1.291 210 T HN 0.448 nan 8.240 nan 0.000 0.523 211 R N 0.051 120.591 120.500 0.067 0.000 2.312 211 R HA 0.346 4.686 4.340 -0.000 0.000 0.205 211 R C 0.419 176.749 176.300 0.049 0.000 0.904 211 R CA 0.223 56.354 56.100 0.052 0.000 1.052 211 R CB 0.288 30.614 30.300 0.043 0.000 1.014 211 R HN 0.825 nan 8.270 nan 0.000 0.503 212 S N -2.289 113.445 115.700 0.057 0.000 2.596 212 S HA 0.206 4.676 4.470 -0.000 0.000 0.270 212 S C 0.651 175.284 174.600 0.055 0.000 1.155 212 S CA -0.994 57.236 58.200 0.048 0.000 0.827 212 S CB 1.730 64.952 63.200 0.036 0.000 1.130 212 S HN -0.202 nan 8.310 nan 0.000 0.467 213 V N 1.930 121.869 119.914 0.041 0.000 2.427 213 V HA -0.149 3.971 4.120 -0.000 0.000 0.248 213 V C 2.877 179.000 176.094 0.047 0.000 1.051 213 V CA 2.179 64.497 62.300 0.029 0.000 1.048 213 V CB -1.245 30.586 31.823 0.012 0.000 0.666 213 V HN 0.949 nan 8.190 nan 0.000 0.456 214 R N 0.325 120.857 120.500 0.054 0.000 2.120 214 R HA -0.159 4.181 4.340 -0.000 0.000 0.234 214 R C 1.643 178.034 176.300 0.153 0.000 1.123 214 R CA 1.961 58.113 56.100 0.087 0.000 0.975 214 R CB -0.614 29.708 30.300 0.036 0.000 0.866 214 R HN 0.353 nan 8.270 nan 0.000 0.446 215 D N 1.321 121.798 120.400 0.127 0.000 2.123 215 D HA -0.009 4.630 4.640 -0.000 0.000 0.200 215 D C 2.028 178.444 176.300 0.194 0.000 0.976 215 D CA 1.662 55.775 54.000 0.188 0.000 0.831 215 D CB -0.205 40.679 40.800 0.139 0.000 0.974 215 D HN 0.387 nan 8.370 nan 0.000 0.469 216 A N 0.203 123.101 122.820 0.130 0.000 1.908 216 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 216 A C 2.063 179.696 177.584 0.081 0.000 1.181 216 A CA 2.145 54.244 52.037 0.103 0.000 0.627 216 A CB -0.958 18.072 19.000 0.050 0.000 0.818 216 A HN 0.403 nan 8.150 nan 0.000 0.445 217 H N -1.708 117.354 119.070 -0.015 0.000 2.326 217 H HA -0.136 4.420 4.556 -0.000 0.000 0.301 217 H C 1.700 177.090 175.328 0.102 0.000 1.081 217 H CA 1.998 58.038 56.048 -0.014 0.000 1.334 217 H CB -0.494 29.256 29.762 -0.020 0.000 1.385 217 H HN 0.390 nan 8.280 nan 0.000 0.504 218 F N 0.374 120.240 119.950 -0.140 0.000 2.069 218 F HA -0.169 4.358 4.527 -0.000 0.000 0.298 218 F C 2.151 177.873 175.800 -0.129 0.000 1.113 218 F CA 1.408 59.314 58.000 -0.156 0.000 1.214 218 F CB -0.856 38.136 39.000 -0.013 0.000 0.978 218 F HN 0.317 nan 8.300 nan 0.000 0.474 219 L N 0.043 121.177 121.223 -0.147 0.000 2.093 219 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 219 L C 2.366 179.136 176.870 -0.166 0.000 1.085 219 L CA 2.184 56.886 54.840 -0.230 0.000 0.755 219 L CB -1.266 40.764 42.059 -0.049 0.000 0.904 219 L HN 0.181 nan 8.230 nan 0.000 0.435 220 T N -0.861 113.650 114.554 -0.072 0.000 2.788 220 T HA -0.162 4.188 4.350 -0.000 0.000 0.268 220 T C 1.683 176.336 174.700 -0.079 0.000 1.044 220 T CA 1.439 63.540 62.100 0.003 0.000 1.139 220 T CB -0.116 68.857 68.868 0.175 0.000 0.867 220 T HN 0.436 nan 8.240 nan 0.000 0.454 221 E N 0.516 120.601 120.200 -0.193 0.000 2.077 221 E HA -0.087 4.262 4.350 -0.000 0.000 0.193 221 E C 2.154 178.655 176.600 -0.165 0.000 0.989 221 E CA 0.837 57.129 56.400 -0.180 0.000 0.800 221 E CB -0.115 29.435 29.700 -0.249 0.000 0.746 221 E HN 0.352 nan 8.360 nan 0.000 0.452 222 I N 0.988 121.410 120.570 -0.248 0.000 2.252 222 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 222 I C 2.413 178.439 176.117 -0.152 0.000 1.102 222 I CA 1.215 62.378 61.300 -0.227 0.000 1.385 222 I CB -0.945 36.851 38.000 -0.339 0.000 1.064 222 I HN 0.162 nan 8.210 nan 0.000 0.414 223 L N 0.542 121.682 121.223 -0.138 0.000 2.093 223 L HA -0.130 4.209 4.340 -0.000 0.000 0.208 223 L C 2.582 179.408 176.870 -0.072 0.000 1.085 223 L CA 1.246 56.024 54.840 -0.104 0.000 0.755 223 L CB -0.520 41.486 42.059 -0.089 0.000 0.904 223 L HN 0.178 nan 8.230 nan 0.000 0.435 224 A N -0.723 122.064 122.820 -0.056 0.000 2.072 224 A HA 0.237 4.557 4.320 -0.000 0.000 0.216 224 A C 1.743 179.307 177.584 -0.034 0.000 1.156 224 A CA 0.767 52.785 52.037 -0.033 0.000 0.701 224 A CB -0.342 18.655 19.000 -0.006 0.000 0.816 224 A HN 0.483 nan 8.150 nan 0.000 0.458 225 G N -0.081 108.689 108.800 -0.050 0.000 2.176 225 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.252 225 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.252 225 G C -0.199 174.687 174.900 -0.024 0.000 1.024 225 G CA 0.627 45.703 45.100 -0.041 0.000 0.755 225 G HN 1.224 nan 8.290 nan 0.000 0.507 226 E N -1.204 118.982 120.200 -0.023 0.000 2.392 226 E HA 0.638 4.988 4.350 -0.000 0.000 0.279 226 E C -0.110 176.489 176.600 -0.002 0.000 0.964 226 E CA -0.471 55.927 56.400 -0.003 0.000 0.777 226 E CB 0.940 30.648 29.700 0.013 0.000 1.249 226 E HN 0.710 nan 8.360 nan 0.000 0.449 227 S N 1.581 117.293 115.700 0.020 0.000 2.584 227 S HA 0.509 4.979 4.470 -0.000 0.000 0.273 227 S C 0.096 174.740 174.600 0.074 0.000 1.311 227 S CA -0.651 57.573 58.200 0.040 0.000 1.034 227 S CB 0.211 63.446 63.200 0.058 0.000 0.939 227 S HN 0.491 nan 8.310 nan 0.000 0.513 228 I N 2.781 123.430 120.570 0.132 0.000 2.437 228 I HA 0.327 4.497 4.170 -0.000 0.000 0.279 228 I C -2.554 173.709 176.117 0.245 0.000 1.028 228 I CA -2.415 59.000 61.300 0.192 0.000 1.142 228 I CB 1.650 39.787 38.000 0.229 0.000 1.266 228 I HN 0.430 nan 8.210 nan 0.000 0.461 229 P HA 0.084 nan 4.420 nan 0.000 0.264 229 P C -0.799 176.511 177.300 0.017 0.000 1.183 229 P CA 0.164 63.308 63.100 0.073 0.000 0.763 229 P CB 0.500 32.230 31.700 0.050 0.000 0.807 230 L N 3.508 124.704 121.223 -0.044 0.000 2.301 230 L HA 0.255 4.595 4.340 -0.000 0.000 0.278 230 L C 0.647 177.482 176.870 -0.058 0.000 1.022 230 L CA -0.673 54.101 54.840 -0.111 0.000 0.854 230 L CB 0.759 42.673 42.059 -0.242 0.000 1.226 230 L HN 0.266 nan 8.230 nan 0.000 0.429 231 E N 1.881 122.057 120.200 -0.041 0.000 2.373 231 E HA 0.243 4.593 4.350 -0.000 0.000 0.263 231 E C 0.410 176.991 176.600 -0.031 0.000 1.073 231 E CA -0.194 56.188 56.400 -0.030 0.000 0.894 231 E CB 1.438 31.120 29.700 -0.029 0.000 1.008 231 E HN 0.609 nan 8.360 nan 0.000 0.420 232 G N 0.371 109.158 108.800 -0.021 0.000 2.614 232 G HA2 0.274 4.233 3.960 -0.000 0.000 0.239 232 G HA3 0.274 4.233 3.960 -0.000 0.000 0.239 232 G C -0.391 174.489 174.900 -0.033 0.000 1.240 232 G CA -0.417 44.678 45.100 -0.009 0.000 0.842 232 G HN 0.226 nan 8.290 nan 0.000 0.584 233 V N 1.318 121.222 119.914 -0.017 0.000 2.459 233 V HA 0.535 4.655 4.120 -0.000 0.000 0.295 233 V C 0.004 176.019 176.094 -0.131 0.000 1.029 233 V CA -0.494 61.730 62.300 -0.128 0.000 0.874 233 V CB 1.372 33.080 31.823 -0.192 0.000 0.985 233 V HN 0.866 nan 8.190 nan 0.000 0.438 234 Q N 4.063 123.740 119.800 -0.204 0.000 2.263 234 Q HA 0.368 4.708 4.340 -0.000 0.000 0.262 234 Q C -0.386 175.486 176.000 -0.213 0.000 0.984 234 Q CA -0.530 55.188 55.803 -0.142 0.000 0.813 234 Q CB 1.168 29.864 28.738 -0.069 0.000 1.299 234 Q HN 0.879 nan 8.270 nan 0.000 0.428 235 N N 3.403 121.981 118.700 -0.204 0.000 2.714 235 N HA -0.148 4.592 4.740 -0.000 0.000 0.253 235 N C -2.545 172.756 175.510 -0.350 0.000 1.024 235 N CA 0.286 53.210 53.050 -0.209 0.000 0.726 235 N CB -0.565 37.847 38.487 -0.124 0.000 0.908 235 N HN 0.515 nan 8.380 nan 0.000 0.542 236 P HA 0.057 nan 4.420 nan 0.000 0.268 236 P C -0.338 176.519 177.300 -0.738 0.000 1.205 236 P CA 0.139 62.759 63.100 -0.799 0.000 0.771 236 P CB 1.088 32.056 31.700 -1.220 0.000 0.858 237 V N 4.253 123.749 119.914 -0.697 0.000 2.378 237 V HA 0.311 4.431 4.120 -0.000 0.000 0.288 237 V C -0.133 175.652 176.094 -0.516 0.000 1.016 237 V CA -0.317 61.716 62.300 -0.446 0.000 0.840 237 V CB 0.342 32.018 31.823 -0.245 0.000 0.994 237 V HN 0.335 nan 8.190 nan 0.000 0.431 238 F N 2.450 122.354 119.950 -0.076 0.000 2.436 238 F HA 0.738 5.264 4.527 -0.000 0.000 0.340 238 F C 0.927 176.713 175.800 -0.023 0.000 1.113 238 F CA -0.630 57.340 58.000 -0.049 0.000 1.022 238 F CB 1.802 40.778 39.000 -0.039 0.000 1.128 238 F HN 0.530 nan 8.300 nan 0.000 0.466 239 G N 1.794 110.700 108.800 0.177 0.000 2.348 239 G HA2 0.559 4.519 3.960 -0.000 0.000 0.312 239 G HA3 0.559 4.519 3.960 -0.000 0.000 0.312 239 G C -1.525 173.459 174.900 0.139 0.000 1.126 239 G CA -0.576 44.593 45.100 0.116 0.000 0.865 239 G HN 0.474 nan 8.290 nan 0.000 0.474 240 V N 4.350 124.344 119.914 0.134 0.000 2.407 240 V HA 0.353 4.473 4.120 -0.000 0.000 0.291 240 V C -1.964 174.230 176.094 0.167 0.000 1.018 240 V CA -1.545 60.865 62.300 0.182 0.000 0.842 240 V CB 2.397 34.333 31.823 0.188 0.000 0.996 240 V HN 0.713 nan 8.190 nan 0.000 0.426 241 P HA 0.221 nan 4.420 nan 0.000 0.231 241 P C 0.989 178.422 177.300 0.221 0.000 1.811 241 P CA -0.093 63.120 63.100 0.188 0.000 1.051 241 P CB 0.513 32.327 31.700 0.190 0.000 1.951 242 L N 1.162 122.489 121.223 0.174 0.000 2.042 242 L HA -0.223 4.116 4.340 -0.000 0.000 0.210 242 L C 2.314 179.256 176.870 0.121 0.000 1.076 242 L CA 2.095 57.024 54.840 0.148 0.000 0.749 242 L CB -0.884 41.244 42.059 0.115 0.000 0.893 242 L HN 0.241 nan 8.230 nan 0.000 0.432 243 D N -0.209 120.265 120.400 0.122 0.000 2.117 243 D HA -0.296 4.344 4.640 -0.000 0.000 0.197 243 D C 2.062 178.432 176.300 0.115 0.000 0.987 243 D CA 1.229 55.289 54.000 0.099 0.000 0.829 243 D CB -0.797 40.059 40.800 0.093 0.000 0.961 243 D HN 0.318 nan 8.370 nan 0.000 0.460 244 F N 1.042 121.009 119.950 0.028 0.000 2.171 244 F HA 0.050 4.576 4.527 -0.001 0.000 0.300 244 F C 2.055 177.855 175.800 0.001 0.000 1.090 244 F CA 1.028 59.038 58.000 0.017 0.000 1.293 244 F CB -0.131 38.891 39.000 0.036 0.000 1.013 244 F HN -0.098 nan 8.300 nan 0.000 0.486 245 L N -0.041 121.174 121.223 -0.014 0.000 2.418 245 L HA -0.023 4.316 4.340 -0.000 0.000 0.218 245 L C 0.824 177.620 176.870 -0.125 0.000 1.125 245 L CA 0.211 54.978 54.840 -0.122 0.000 0.835 245 L CB -0.766 41.300 42.059 0.011 0.000 0.953 245 L HN 0.037 nan 8.230 nan 0.000 0.454 246 E N 1.026 121.183 120.200 -0.073 0.000 2.729 246 E HA -0.036 4.314 4.350 -0.000 0.000 0.246 246 E C 1.202 177.741 176.600 -0.101 0.000 0.984 246 E CA 0.716 57.081 56.400 -0.058 0.000 0.951 246 E CB 0.066 29.748 29.700 -0.030 0.000 0.914 246 E HN 0.364 nan 8.360 nan 0.000 0.509 247 G N 4.759 113.508 108.800 -0.084 0.000 2.189 247 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.267 247 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.267 247 G C 0.805 175.620 174.900 -0.142 0.000 0.975 247 G CA 0.557 45.598 45.100 -0.099 0.000 0.644 247 G HN 0.660 nan 8.290 nan 0.000 0.537 248 R N -0.748 119.645 120.500 -0.179 0.000 2.393 248 R HA 0.421 4.760 4.340 -0.000 0.000 0.244 248 R C 0.642 176.819 176.300 -0.206 0.000 0.920 248 R CA -0.000 55.963 56.100 -0.229 0.000 1.076 248 R CB 0.359 30.461 30.300 -0.330 0.000 1.119 248 R HN 0.381 nan 8.270 nan 0.000 0.524 249 L N -0.419 120.714 121.223 -0.150 0.000 2.330 249 L HA 0.513 4.853 4.340 -0.000 0.000 0.271 249 L C 0.642 177.450 176.870 -0.102 0.000 1.013 249 L CA -1.063 53.703 54.840 -0.124 0.000 0.816 249 L CB 1.769 43.783 42.059 -0.075 0.000 1.287 249 L HN -0.019 nan 8.230 nan 0.000 0.435 250 G N 0.193 108.936 108.800 -0.096 0.000 2.476 250 G HA2 0.374 4.334 3.960 -0.000 0.000 0.269 250 G HA3 0.374 4.334 3.960 -0.000 0.000 0.269 250 G C 0.963 175.844 174.900 -0.032 0.000 1.195 250 G CA -0.550 44.506 45.100 -0.073 0.000 0.843 250 G HN 0.422 nan 8.290 nan 0.000 0.545 251 V N 1.153 121.052 119.914 -0.024 0.000 2.317 251 V HA -0.187 3.933 4.120 -0.000 0.000 0.251 251 V C 2.726 178.826 176.094 0.010 0.000 1.065 251 V CA 2.218 64.515 62.300 -0.004 0.000 1.049 251 V CB -0.333 31.486 31.823 -0.007 0.000 0.651 251 V HN 0.665 nan 8.190 nan 0.000 0.450 252 E N -0.297 119.904 120.200 0.002 0.000 2.107 252 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 252 E C 2.269 178.885 176.600 0.026 0.000 0.982 252 E CA 1.024 57.428 56.400 0.006 0.000 0.809 252 E CB -0.434 29.260 29.700 -0.011 0.000 0.756 252 E HN 0.503 nan 8.360 nan 0.000 0.459 253 V N 1.209 121.142 119.914 0.032 0.000 2.548 253 V HA -0.195 3.925 4.120 -0.000 0.000 0.249 253 V C 2.522 178.713 176.094 0.162 0.000 1.055 253 V CA 1.577 63.928 62.300 0.084 0.000 1.065 253 V CB -0.427 31.433 31.823 0.061 0.000 0.681 253 V HN 0.120 nan 8.190 nan 0.000 0.462 254 R N 0.825 121.392 120.500 0.111 0.000 2.091 254 R HA -0.184 4.156 4.340 -0.000 0.000 0.238 254 R C 2.227 178.633 176.300 0.177 0.000 1.136 254 R CA 1.815 58.005 56.100 0.151 0.000 0.959 254 R CB -0.282 30.067 30.300 0.082 0.000 0.856 254 R HN 0.453 nan 8.270 nan 0.000 0.437 255 K N -0.396 120.073 120.400 0.114 0.000 2.057 255 K HA -0.040 4.279 4.320 -0.000 0.000 0.206 255 K C 2.121 178.794 176.600 0.121 0.000 1.050 255 K CA 1.371 57.712 56.287 0.091 0.000 0.935 255 K CB -0.184 32.345 32.500 0.048 0.000 0.715 255 K HN 0.271 nan 8.250 nan 0.000 0.439 256 A N 1.014 123.921 122.820 0.146 0.000 1.902 256 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 256 A C 2.010 179.844 177.584 0.417 0.000 1.181 256 A CA 1.185 53.327 52.037 0.175 0.000 0.623 256 A CB -0.668 18.343 19.000 0.017 0.000 0.818 256 A HN 0.331 nan 8.150 nan 0.000 0.443 257 F N 1.451 121.592 119.950 0.318 0.000 2.134 257 F HA -0.119 4.408 4.527 -0.001 0.000 0.299 257 F C 2.463 178.329 175.800 0.110 0.000 1.097 257 F CA 2.121 60.264 58.000 0.237 0.000 1.264 257 F CB -0.826 38.251 39.000 0.128 0.000 1.001 257 F HN 0.204 nan 8.300 nan 0.000 0.479 258 T N 0.778 115.371 114.554 0.065 0.000 2.746 258 T HA -0.225 4.125 4.350 -0.000 0.000 0.267 258 T C 2.140 176.799 174.700 -0.068 0.000 1.039 258 T CA 1.586 63.646 62.100 -0.067 0.000 1.142 258 T CB -0.357 68.525 68.868 0.023 0.000 0.866 258 T HN 0.282 nan 8.240 nan 0.000 0.444 259 R N 0.524 121.032 120.500 0.013 0.000 2.091 259 R HA -0.094 4.246 4.340 -0.000 0.000 0.238 259 R C 2.418 178.716 176.300 -0.005 0.000 1.136 259 R CA 1.339 57.449 56.100 0.016 0.000 0.959 259 R CB -0.535 29.794 30.300 0.050 0.000 0.856 259 R HN 0.320 nan 8.270 nan 0.000 0.437 260 L N 1.296 122.523 121.223 0.008 0.000 2.017 260 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 260 L C 2.097 178.885 176.870 -0.136 0.000 1.073 260 L CA 1.668 56.489 54.840 -0.031 0.000 0.745 260 L CB -0.431 41.615 42.059 -0.020 0.000 0.894 260 L HN 0.257 nan 8.230 nan 0.000 0.432 261 L N -0.729 120.330 121.223 -0.272 0.000 2.083 261 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 261 L C 2.590 179.395 176.870 -0.108 0.000 1.083 261 L CA 1.098 55.788 54.840 -0.251 0.000 0.752 261 L CB -0.817 41.025 42.059 -0.363 0.000 0.899 261 L HN 0.342 nan 8.230 nan 0.000 0.433 262 E N 0.041 120.193 120.200 -0.080 0.000 2.150 262 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 262 E C 1.552 178.146 176.600 -0.010 0.000 0.985 262 E CA 0.974 57.353 56.400 -0.034 0.000 0.814 262 E CB -0.047 29.639 29.700 -0.023 0.000 0.752 262 E HN 0.515 nan 8.360 nan 0.000 0.466 263 D N 0.348 120.743 120.400 -0.007 0.000 2.271 263 D HA 0.012 4.652 4.640 -0.000 0.000 0.206 263 D C 2.184 178.510 176.300 0.044 0.000 0.967 263 D CA 0.084 54.093 54.000 0.015 0.000 0.867 263 D CB 0.026 40.834 40.800 0.012 0.000 0.960 263 D HN 0.132 nan 8.370 nan 0.000 0.509 264 L N 1.032 122.287 121.223 0.053 0.000 2.051 264 L HA -0.181 4.158 4.340 -0.000 0.000 0.214 264 L C -0.478 176.483 176.870 0.153 0.000 1.076 264 L CA 1.557 56.480 54.840 0.137 0.000 0.758 264 L CB -1.520 40.621 42.059 0.137 0.000 0.890 264 L HN 0.058 nan 8.230 nan 0.000 0.433 265 P HA -0.167 nan 4.420 nan 0.000 0.215 265 P C 1.402 178.750 177.300 0.081 0.000 1.153 265 P CA 1.744 64.891 63.100 0.078 0.000 0.853 265 P CB -0.010 31.717 31.700 0.044 0.000 0.788 266 A N -0.869 121.991 122.820 0.067 0.000 2.067 266 A HA -0.086 4.233 4.320 -0.000 0.000 0.219 266 A C 1.888 179.519 177.584 0.078 0.000 1.158 266 A CA 1.088 53.159 52.037 0.056 0.000 0.661 266 A CB -1.470 17.551 19.000 0.035 0.000 0.801 266 A HN 0.156 nan 8.150 nan 0.000 0.452 267 L N -1.091 120.205 121.223 0.121 0.000 2.612 267 L HA 0.107 4.447 4.340 -0.000 0.000 0.230 267 L C 0.269 177.320 176.870 0.302 0.000 1.140 267 L CA -0.310 54.628 54.840 0.164 0.000 0.896 267 L CB -0.013 42.142 42.059 0.160 0.000 1.065 267 L HN 0.278 nan 8.230 nan 0.000 0.447 268 R N -0.835 119.793 120.500 0.214 0.000 3.418 268 R HA -0.121 4.219 4.340 -0.000 0.000 0.274 268 R C -0.249 176.157 176.300 0.178 0.000 1.108 268 R CA 0.784 56.993 56.100 0.183 0.000 0.741 268 R CB -2.475 27.936 30.300 0.186 0.000 1.223 268 R HN 0.342 nan 8.270 nan 0.000 0.434 269 A N -0.082 122.846 122.820 0.179 0.000 2.435 269 A HA 0.759 5.079 4.320 -0.000 0.000 0.296 269 A C -0.613 177.010 177.584 0.064 0.000 1.147 269 A CA -0.632 51.454 52.037 0.082 0.000 0.775 269 A CB 2.093 21.253 19.000 0.265 0.000 1.340 269 A HN 0.203 nan 8.150 nan 0.000 0.427 270 E N 0.042 120.245 120.200 0.005 0.000 2.256 270 E HA 0.612 4.962 4.350 -0.000 0.000 0.267 270 E C -1.780 174.859 176.600 0.066 0.000 0.892 270 E CA -0.559 55.850 56.400 0.015 0.000 0.775 270 E CB 2.069 31.745 29.700 -0.040 0.000 1.207 270 E HN 0.386 nan 8.360 nan 0.000 0.420 271 V N 4.354 124.306 119.914 0.063 0.000 2.444 271 V HA 0.490 4.609 4.120 -0.000 0.000 0.294 271 V C -0.430 175.689 176.094 0.043 0.000 1.022 271 V CA -0.669 61.676 62.300 0.076 0.000 0.850 271 V CB 1.496 33.344 31.823 0.042 0.000 0.992 271 V HN 0.614 nan 8.190 nan 0.000 0.426 272 R N 2.678 123.208 120.500 0.050 0.000 2.599 272 R HA 0.475 4.815 4.340 -0.000 0.000 0.295 272 R C -0.452 175.878 176.300 0.051 0.000 0.963 272 R CA -0.742 55.380 56.100 0.036 0.000 0.883 272 R CB 2.680 32.992 30.300 0.021 0.000 1.171 272 R HN 0.786 nan 8.270 nan 0.000 0.450 273 E N 2.586 122.814 120.200 0.046 0.000 2.373 273 E HA 0.245 4.595 4.350 -0.000 0.000 0.267 273 E C -0.655 175.979 176.600 0.057 0.000 1.032 273 E CA -0.481 55.955 56.400 0.060 0.000 0.889 273 E CB 1.035 30.767 29.700 0.053 0.000 0.984 273 E HN 0.392 nan 8.360 nan 0.000 0.425 274 V N 0.447 120.404 119.914 0.071 0.000 3.102 274 V HA 0.594 4.713 4.120 -0.000 0.000 0.312 274 V C -0.527 175.610 176.094 0.073 0.000 1.135 274 V CA -1.003 61.335 62.300 0.062 0.000 1.022 274 V CB 1.737 33.596 31.823 0.060 0.000 1.056 274 V HN 0.555 nan 8.190 nan 0.000 0.436 275 S N 1.751 117.487 115.700 0.061 0.000 2.442 275 S HA 0.769 5.239 4.470 -0.000 0.000 0.297 275 S C -0.718 173.920 174.600 0.062 0.000 1.131 275 S CA -0.469 57.772 58.200 0.067 0.000 1.092 275 S CB 0.798 64.030 63.200 0.052 0.000 0.998 275 S HN 1.283 nan 8.310 nan 0.000 0.478 276 L N 7.486 128.759 121.223 0.083 0.000 2.472 276 L HA 0.467 4.807 4.340 -0.000 0.000 0.256 276 L C -2.354 174.579 176.870 0.106 0.000 1.560 276 L CA -1.246 53.621 54.840 0.044 0.000 0.805 276 L CB 1.259 43.303 42.059 -0.025 0.000 1.017 276 L HN 0.449 nan 8.230 nan 0.000 0.519 277 P HA -0.139 nan 4.420 nan 0.000 0.213 277 P C 0.648 178.053 177.300 0.175 0.000 1.176 277 P CA 1.407 64.588 63.100 0.135 0.000 0.919 277 P CB 0.060 31.806 31.700 0.076 0.000 0.791 278 L N -1.935 119.343 121.223 0.091 0.000 3.742 278 L HA -0.230 4.109 4.340 -0.000 0.000 0.431 278 L C -0.170 176.770 176.870 0.117 0.000 1.220 278 L CA 0.070 54.955 54.840 0.076 0.000 0.863 278 L CB -2.181 39.898 42.059 0.034 0.000 1.751 278 L HN 0.281 nan 8.230 nan 0.000 0.922 279 E N 0.608 120.860 120.200 0.087 0.000 2.415 279 E HA 0.233 4.582 4.350 -0.000 0.000 0.263 279 E C 1.382 178.024 176.600 0.070 0.000 0.995 279 E CA 0.582 57.027 56.400 0.075 0.000 0.915 279 E CB 0.555 30.285 29.700 0.051 0.000 0.951 279 E HN 0.455 nan 8.360 nan 0.000 0.449 280 G N 2.152 111.001 108.800 0.083 0.000 2.162 280 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.260 280 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.260 280 G C 0.840 175.805 174.900 0.108 0.000 0.976 280 G CA 0.350 45.504 45.100 0.090 0.000 0.655 280 G HN 0.512 nan 8.290 nan 0.000 0.533 281 V N -0.255 119.732 119.914 0.122 0.000 2.490 281 V HA -0.133 3.987 4.120 -0.000 0.000 0.250 281 V C 2.110 178.304 176.094 0.166 0.000 1.061 281 V CA 2.824 65.194 62.300 0.115 0.000 1.064 281 V CB -0.438 31.442 31.823 0.094 0.000 0.670 281 V HN 0.653 nan 8.190 nan 0.000 0.461 282 Y N 1.592 121.937 120.300 0.075 0.000 2.097 282 Y HA -0.254 4.296 4.550 -0.000 0.000 0.282 282 Y C 2.418 178.396 175.900 0.130 0.000 1.152 282 Y CA 2.487 60.642 58.100 0.091 0.000 1.136 282 Y CB -0.360 38.130 38.460 0.051 0.000 0.975 282 Y HN 0.458 nan 8.280 nan 0.000 0.498 283 E N -0.706 119.543 120.200 0.082 0.000 2.077 283 E HA -0.189 4.160 4.350 -0.000 0.000 0.193 283 E C 2.277 178.856 176.600 -0.036 0.000 0.989 283 E CA 1.650 58.039 56.400 -0.017 0.000 0.800 283 E CB -0.376 29.364 29.700 0.066 0.000 0.746 283 E HN 0.337 nan 8.360 nan 0.000 0.452 284 V N 1.020 120.942 119.914 0.013 0.000 2.255 284 V HA -0.309 3.810 4.120 -0.000 0.000 0.247 284 V C 2.143 178.229 176.094 -0.013 0.000 1.051 284 V CA 2.161 64.461 62.300 -0.000 0.000 1.018 284 V CB -0.650 31.182 31.823 0.016 0.000 0.641 284 V HN 0.320 nan 8.190 nan 0.000 0.445 285 Y N 1.454 121.704 120.300 -0.083 0.000 2.097 285 Y HA -0.296 4.254 4.550 -0.000 0.000 0.282 285 Y C 2.677 178.514 175.900 -0.103 0.000 1.152 285 Y CA 2.461 60.511 58.100 -0.083 0.000 1.136 285 Y CB -0.801 37.606 38.460 -0.088 0.000 0.975 285 Y HN 0.237 nan 8.280 nan 0.000 0.498 286 T N 1.242 115.676 114.554 -0.200 0.000 2.635 286 T HA -0.220 4.130 4.350 -0.000 0.000 0.267 286 T C 1.876 176.447 174.700 -0.216 0.000 1.040 286 T CA 2.102 64.039 62.100 -0.271 0.000 1.156 286 T CB -0.278 68.409 68.868 -0.301 0.000 0.863 286 T HN 0.379 nan 8.240 nan 0.000 0.430 287 R N 0.393 120.814 120.500 -0.131 0.000 2.081 287 R HA 0.072 4.412 4.340 -0.000 0.000 0.235 287 R C 2.571 178.868 176.300 -0.004 0.000 1.131 287 R CA 0.990 57.062 56.100 -0.048 0.000 0.960 287 R CB -0.691 29.595 30.300 -0.023 0.000 0.856 287 R HN 0.322 nan 8.270 nan 0.000 0.436 288 L N 0.782 121.977 121.223 -0.046 0.000 2.017 288 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 288 L C 2.239 179.120 176.870 0.019 0.000 1.073 288 L CA 1.315 56.186 54.840 0.052 0.000 0.745 288 L CB -0.160 41.882 42.059 -0.028 0.000 0.894 288 L HN -0.006 nan 8.230 nan 0.000 0.432 289 V N -0.072 119.707 119.914 -0.225 0.000 2.307 289 V HA -0.260 3.860 4.120 -0.000 0.000 0.245 289 V C 2.622 178.639 176.094 -0.129 0.000 1.045 289 V CA 1.939 64.093 62.300 -0.243 0.000 1.024 289 V CB -0.631 30.858 31.823 -0.557 0.000 0.651 289 V HN 0.442 nan 8.190 nan 0.000 0.449 290 R N -1.264 119.161 120.500 -0.125 0.000 2.096 290 R HA -0.203 4.137 4.340 -0.000 0.000 0.235 290 R C 2.299 178.567 176.300 -0.054 0.000 1.127 290 R CA 2.014 58.067 56.100 -0.078 0.000 0.968 290 R CB -0.525 29.736 30.300 -0.065 0.000 0.861 290 R HN 0.640 nan 8.270 nan 0.000 0.440 291 Y N 2.000 122.227 120.300 -0.122 0.000 2.114 291 Y HA -0.220 4.330 4.550 -0.001 0.000 0.284 291 Y C 1.982 177.744 175.900 -0.229 0.000 1.143 291 Y CA 1.699 59.702 58.100 -0.162 0.000 1.135 291 Y CB 0.003 38.367 38.460 -0.160 0.000 0.980 291 Y HN 0.040 nan 8.280 nan 0.000 0.499 292 E N -0.104 120.033 120.200 -0.105 0.000 2.072 292 E HA -0.191 4.159 4.350 -0.000 0.000 0.191 292 E C 2.353 178.849 176.600 -0.174 0.000 0.985 292 E CA 0.891 57.185 56.400 -0.178 0.000 0.801 292 E CB -0.334 29.340 29.700 -0.042 0.000 0.750 292 E HN 0.580 nan 8.360 nan 0.000 0.452 293 A N 1.602 124.356 122.820 -0.109 0.000 1.902 293 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 293 A C 2.404 179.956 177.584 -0.054 0.000 1.181 293 A CA 1.618 53.629 52.037 -0.045 0.000 0.623 293 A CB -0.560 18.429 19.000 -0.018 0.000 0.818 293 A HN 0.284 nan 8.150 nan 0.000 0.443 294 A N -0.479 122.251 122.820 -0.150 0.000 1.933 294 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 294 A C 2.110 179.576 177.584 -0.197 0.000 1.175 294 A CA 1.392 53.328 52.037 -0.169 0.000 0.628 294 A CB -0.373 18.499 19.000 -0.213 0.000 0.814 294 A HN 0.371 nan 8.150 nan 0.000 0.444 295 R N -0.266 120.053 120.500 -0.301 0.000 2.189 295 R HA 0.053 4.392 4.340 -0.000 0.000 0.218 295 R C 1.735 177.913 176.300 -0.204 0.000 1.074 295 R CA 0.591 56.521 56.100 -0.284 0.000 0.991 295 R CB -0.686 29.380 30.300 -0.390 0.000 0.883 295 R HN 0.495 nan 8.270 nan 0.000 0.457 296 I N 0.355 120.796 120.570 -0.214 0.000 2.286 296 I HA -0.183 3.987 4.170 -0.000 0.000 0.245 296 I C 1.374 177.263 176.117 -0.379 0.000 1.104 296 I CA 1.327 62.444 61.300 -0.305 0.000 1.397 296 I CB -0.810 36.950 38.000 -0.401 0.000 1.072 296 I HN 0.179 nan 8.210 nan 0.000 0.417 297 H N 0.049 119.090 119.070 -0.048 0.000 2.505 297 H HA 0.134 4.690 4.556 -0.000 0.000 0.289 297 H C 1.604 176.943 175.328 0.017 0.000 1.052 297 H CA -0.010 56.055 56.048 0.029 0.000 1.156 297 H CB 0.388 30.166 29.762 0.027 0.000 1.507 297 H HN 0.437 nan 8.280 nan 0.000 0.548 298 E N 2.020 122.231 120.200 0.019 0.000 2.058 298 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 298 E C 2.175 178.802 176.600 0.046 0.000 0.997 298 E CA 1.256 57.655 56.400 -0.002 0.000 0.801 298 E CB 0.285 29.946 29.700 -0.064 0.000 0.746 298 E HN 0.292 nan 8.360 nan 0.000 0.450 299 K N -0.076 120.353 120.400 0.048 0.000 2.002 299 K HA -0.153 4.166 4.320 -0.000 0.000 0.209 299 K C 2.096 178.772 176.600 0.127 0.000 1.048 299 K CA 1.313 57.638 56.287 0.063 0.000 0.930 299 K CB -0.261 32.263 32.500 0.041 0.000 0.714 299 K HN 0.180 nan 8.250 nan 0.000 0.438 300 A N 1.119 124.053 122.820 0.191 0.000 1.933 300 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 300 A C 2.013 179.808 177.584 0.352 0.000 1.175 300 A CA 1.286 53.481 52.037 0.264 0.000 0.628 300 A CB -0.572 18.606 19.000 0.296 0.000 0.814 300 A HN 0.399 nan 8.150 nan 0.000 0.444 301 L N -0.831 120.617 121.223 0.376 0.000 2.201 301 L HA -0.045 4.294 4.340 -0.000 0.000 0.212 301 L C 2.099 179.068 176.870 0.164 0.000 1.105 301 L CA 2.350 57.376 54.840 0.310 0.000 0.775 301 L CB -0.398 41.726 42.059 0.108 0.000 0.913 301 L HN 0.346 nan 8.230 nan 0.000 0.440 302 K N -0.385 120.081 120.400 0.110 0.000 2.099 302 K HA -0.018 4.301 4.320 -0.000 0.000 0.203 302 K C 1.965 178.575 176.600 0.017 0.000 1.047 302 K CA 1.377 57.693 56.287 0.049 0.000 0.963 302 K CB 0.010 32.526 32.500 0.028 0.000 0.759 302 K HN 0.393 nan 8.250 nan 0.000 0.451 303 E N -1.091 119.126 120.200 0.029 0.000 2.076 303 E HA -0.057 4.293 4.350 -0.000 0.000 0.190 303 E C -0.024 176.364 176.600 -0.353 0.000 0.979 303 E CA 0.930 57.271 56.400 -0.099 0.000 0.807 303 E CB 0.148 29.878 29.700 0.049 0.000 0.761 303 E HN 0.349 nan 8.360 nan 0.000 0.454 304 H N -0.681 118.401 119.070 0.020 0.000 2.379 304 H HA 0.118 4.674 4.556 -0.000 0.000 0.229 304 H C -1.991 173.349 175.328 0.019 0.000 1.423 304 H CA -1.456 54.580 56.048 -0.019 0.000 1.375 304 H CB 0.849 30.552 29.762 -0.098 0.000 1.592 304 H HN 0.090 nan 8.280 nan 0.000 0.507 305 P HA -0.178 nan 4.420 nan 0.000 0.221 305 P C 1.194 178.639 177.300 0.242 0.000 1.150 305 P CA 1.063 64.320 63.100 0.261 0.000 0.800 305 P CB 0.629 32.429 31.700 0.167 0.000 0.787 306 E N 0.521 120.808 120.200 0.145 0.000 2.478 306 E HA -0.055 4.295 4.350 -0.000 0.000 0.198 306 E C 1.906 178.592 176.600 0.144 0.000 1.046 306 E CA 1.175 57.670 56.400 0.157 0.000 0.870 306 E CB -1.550 28.213 29.700 0.105 0.000 0.818 306 E HN 0.225 nan 8.360 nan 0.000 0.527 307 G N 0.101 108.882 108.800 -0.031 0.000 2.650 307 G HA2 0.026 3.986 3.960 -0.000 0.000 0.214 307 G HA3 0.026 3.986 3.960 -0.000 0.000 0.214 307 G C 0.052 174.841 174.900 -0.185 0.000 1.136 307 G CA -0.186 44.728 45.100 -0.311 0.000 0.789 307 G HN 0.091 nan 8.290 nan 0.000 0.536 308 F N 1.254 121.372 119.950 0.280 0.000 2.425 308 F HA 0.472 4.999 4.527 -0.001 0.000 0.331 308 F C 1.026 177.039 175.800 0.355 0.000 1.085 308 F CA -1.456 56.739 58.000 0.325 0.000 1.028 308 F CB 1.637 40.713 39.000 0.126 0.000 1.177 308 F HN -0.031 nan 8.300 nan 0.000 0.487 309 S N 2.031 117.961 115.700 0.383 0.000 2.600 309 S HA 0.241 4.710 4.470 -0.000 0.000 0.265 309 S C -2.070 172.550 174.600 0.034 0.000 1.325 309 S CA -0.940 57.228 58.200 -0.053 0.000 1.002 309 S CB 1.086 64.096 63.200 -0.317 0.000 0.921 309 S HN 0.380 nan 8.310 nan 0.000 0.554 310 P HA -0.191 nan 4.420 nan 0.000 0.214 310 P C 1.830 179.131 177.300 0.002 0.000 1.163 310 P CA 1.315 64.414 63.100 -0.002 0.000 0.889 310 P CB -0.036 31.646 31.700 -0.031 0.000 0.790 311 Q N -0.140 119.652 119.800 -0.014 0.000 2.045 311 Q HA -0.166 4.174 4.340 -0.000 0.000 0.206 311 Q C 1.987 177.999 176.000 0.021 0.000 0.991 311 Q CA 2.048 57.857 55.803 0.010 0.000 0.851 311 Q CB -0.702 28.051 28.738 0.025 0.000 0.911 311 Q HN 0.032 nan 8.270 nan 0.000 0.418 312 V N 0.867 120.801 119.914 0.033 0.000 2.343 312 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 312 V C 2.562 178.606 176.094 -0.084 0.000 1.051 312 V CA 2.152 64.455 62.300 0.005 0.000 1.036 312 V CB -0.674 31.186 31.823 0.062 0.000 0.654 312 V HN 0.372 nan 8.190 nan 0.000 0.451 313 R N -0.049 120.435 120.500 -0.026 0.000 2.081 313 R HA -0.233 4.107 4.340 -0.000 0.000 0.235 313 R C 2.406 178.671 176.300 -0.059 0.000 1.131 313 R CA 2.078 58.145 56.100 -0.055 0.000 0.960 313 R CB -0.257 30.087 30.300 0.073 0.000 0.856 313 R HN 0.705 nan 8.270 nan 0.000 0.436 314 E N -0.312 119.873 120.200 -0.025 0.000 2.077 314 E HA -0.201 4.148 4.350 -0.000 0.000 0.193 314 E C 1.732 178.312 176.600 -0.034 0.000 0.989 314 E CA 1.242 57.630 56.400 -0.019 0.000 0.800 314 E CB -0.113 29.587 29.700 -0.000 0.000 0.746 314 E HN 0.454 nan 8.360 nan 0.000 0.452 315 A N 1.128 123.923 122.820 -0.043 0.000 1.898 315 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 315 A C 2.232 179.765 177.584 -0.086 0.000 1.181 315 A CA 1.091 53.099 52.037 -0.049 0.000 0.620 315 A CB -0.636 18.339 19.000 -0.041 0.000 0.819 315 A HN 0.328 nan 8.150 nan 0.000 0.442 316 L N -0.678 120.460 121.223 -0.141 0.000 2.046 316 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 316 L C 2.540 179.334 176.870 -0.127 0.000 1.077 316 L CA 1.011 55.741 54.840 -0.182 0.000 0.747 316 L CB -0.503 41.352 42.059 -0.340 0.000 0.896 316 L HN 0.379 nan 8.230 nan 0.000 0.432 317 L N -0.516 120.649 121.223 -0.095 0.000 2.083 317 L HA -0.178 4.161 4.340 -0.000 0.000 0.209 317 L C 2.837 179.682 176.870 -0.041 0.000 1.083 317 L CA 1.036 55.842 54.840 -0.058 0.000 0.752 317 L CB -0.672 41.367 42.059 -0.033 0.000 0.899 317 L HN 0.236 nan 8.230 nan 0.000 0.433 318 A N 0.234 123.033 122.820 -0.036 0.000 1.972 318 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 318 A C 2.381 179.955 177.584 -0.017 0.000 1.169 318 A CA 1.610 53.636 52.037 -0.018 0.000 0.635 318 A CB -1.067 17.925 19.000 -0.014 0.000 0.810 318 A HN 0.442 nan 8.150 nan 0.000 0.446 319 G N -0.442 108.331 108.800 -0.045 0.000 2.422 319 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.218 319 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.218 319 G C 1.453 176.312 174.900 -0.069 0.000 1.140 319 G CA 0.878 45.947 45.100 -0.052 0.000 0.775 319 G HN 0.437 nan 8.290 nan 0.000 0.545 320 L N 0.398 121.573 121.223 -0.079 0.000 2.313 320 L HA 0.137 4.477 4.340 -0.000 0.000 0.214 320 L C 3.128 179.987 176.870 -0.018 0.000 1.119 320 L CA 0.594 55.387 54.840 -0.078 0.000 0.809 320 L CB -0.101 41.914 42.059 -0.073 0.000 0.933 320 L HN 0.303 nan 8.230 nan 0.000 0.449 321 A N -0.169 122.652 122.820 0.001 0.000 2.067 321 A HA 0.098 4.417 4.320 -0.000 0.000 0.217 321 A C 1.143 178.757 177.584 0.049 0.000 1.156 321 A CA 0.236 52.285 52.037 0.020 0.000 0.683 321 A CB -0.215 18.793 19.000 0.013 0.000 0.808 321 A HN 0.237 nan 8.150 nan 0.000 0.455 322 L N 1.580 122.853 121.223 0.084 0.000 2.349 322 L HA 0.271 4.611 4.340 -0.000 0.000 0.275 322 L C 0.972 177.971 176.870 0.215 0.000 1.115 322 L CA -0.463 54.459 54.840 0.137 0.000 0.820 322 L CB 1.237 43.410 42.059 0.189 0.000 1.135 322 L HN 0.384 nan 8.230 nan 0.000 0.445 323 T N -1.740 112.900 114.554 0.143 0.000 2.849 323 T HA 0.192 4.541 4.350 -0.000 0.000 0.276 323 T C 0.920 175.678 174.700 0.098 0.000 0.971 323 T CA -0.498 61.694 62.100 0.154 0.000 0.949 323 T CB 1.258 70.170 68.868 0.072 0.000 1.093 323 T HN 0.667 nan 8.240 nan 0.000 0.545 324 E N 0.203 120.465 120.200 0.102 0.000 2.265 324 E HA -0.122 4.228 4.350 -0.000 0.000 0.196 324 E C 1.798 178.361 176.600 -0.061 0.000 0.996 324 E CA 1.124 57.516 56.400 -0.013 0.000 0.832 324 E CB -0.252 29.506 29.700 0.097 0.000 0.756 324 E HN 0.627 nan 8.360 nan 0.000 0.491 325 K N 1.151 121.533 120.400 -0.030 0.000 2.057 325 K HA -0.124 4.195 4.320 -0.000 0.000 0.206 325 K C 1.430 177.986 176.600 -0.072 0.000 1.050 325 K CA 1.832 58.094 56.287 -0.043 0.000 0.935 325 K CB -0.368 32.121 32.500 -0.019 0.000 0.715 325 K HN 0.133 nan 8.250 nan 0.000 0.439 326 D N -0.661 119.700 120.400 -0.065 0.000 2.144 326 D HA -0.183 4.456 4.640 -0.000 0.000 0.199 326 D C 1.716 177.944 176.300 -0.119 0.000 0.984 326 D CA 1.070 55.030 54.000 -0.067 0.000 0.834 326 D CB -0.247 40.541 40.800 -0.022 0.000 0.955 326 D HN 0.253 nan 8.370 nan 0.000 0.465 327 Y N 2.094 122.140 120.300 -0.424 0.000 2.200 327 Y HA -0.113 4.437 4.550 -0.001 0.000 0.290 327 Y C 2.332 178.046 175.900 -0.309 0.000 1.137 327 Y CA 1.344 59.112 58.100 -0.554 0.000 1.163 327 Y CB -0.153 37.575 38.460 -1.219 0.000 0.988 327 Y HN -0.196 nan 8.280 nan 0.000 0.518 328 R N 0.015 120.333 120.500 -0.303 0.000 2.091 328 R HA -0.171 4.168 4.340 -0.000 0.000 0.238 328 R C 1.768 177.922 176.300 -0.244 0.000 1.136 328 R CA 1.603 57.527 56.100 -0.293 0.000 0.959 328 R CB -0.354 29.854 30.300 -0.153 0.000 0.856 328 R HN 0.392 nan 8.270 nan 0.000 0.437 329 D N 0.371 120.665 120.400 -0.176 0.000 2.117 329 D HA -0.105 4.535 4.640 -0.000 0.000 0.198 329 D C 1.811 178.025 176.300 -0.144 0.000 0.982 329 D CA 1.453 55.376 54.000 -0.129 0.000 0.828 329 D CB -0.266 40.483 40.800 -0.085 0.000 0.967 329 D HN 0.223 nan 8.370 nan 0.000 0.464 330 A N 0.684 123.400 122.820 -0.172 0.000 1.902 330 A HA -0.144 4.175 4.320 -0.000 0.000 0.217 330 A C 2.537 179.997 177.584 -0.205 0.000 1.181 330 A CA 1.263 53.207 52.037 -0.156 0.000 0.623 330 A CB -0.790 18.133 19.000 -0.127 0.000 0.818 330 A HN 0.145 nan 8.150 nan 0.000 0.443 331 V N -0.247 119.461 119.914 -0.344 0.000 2.343 331 V HA -0.252 3.867 4.120 -0.000 0.000 0.247 331 V C 3.016 178.987 176.094 -0.205 0.000 1.051 331 V CA 2.002 64.099 62.300 -0.338 0.000 1.036 331 V CB -1.127 30.397 31.823 -0.499 0.000 0.654 331 V HN 0.626 nan 8.190 nan 0.000 0.451 332 A N -0.691 122.023 122.820 -0.177 0.000 1.929 332 A HA -0.133 4.186 4.320 -0.000 0.000 0.216 332 A C 2.175 179.705 177.584 -0.090 0.000 1.176 332 A CA 1.245 53.211 52.037 -0.119 0.000 0.628 332 A CB -0.352 18.586 19.000 -0.104 0.000 0.816 332 A HN 0.483 nan 8.150 nan 0.000 0.444 333 E N -0.196 119.951 120.200 -0.087 0.000 2.153 333 E HA -0.190 4.159 4.350 -0.000 0.000 0.194 333 E C 2.084 178.653 176.600 -0.052 0.000 0.988 333 E CA 1.184 57.549 56.400 -0.058 0.000 0.811 333 E CB -0.337 29.335 29.700 -0.048 0.000 0.746 333 E HN 0.726 nan 8.360 nan 0.000 0.466 334 R N 0.995 121.454 120.500 -0.067 0.000 2.075 334 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 334 R C 1.901 178.170 176.300 -0.051 0.000 1.126 334 R CA 1.207 57.275 56.100 -0.053 0.000 0.963 334 R CB 0.107 30.368 30.300 -0.066 0.000 0.858 334 R HN -0.068 nan 8.270 nan 0.000 0.435 335 E N 0.640 120.800 120.200 -0.065 0.000 2.110 335 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 335 E C 1.858 178.432 176.600 -0.043 0.000 0.988 335 E CA 1.313 57.678 56.400 -0.057 0.000 0.804 335 E CB -0.313 29.347 29.700 -0.068 0.000 0.745 335 E HN 0.507 nan 8.360 nan 0.000 0.458 336 A N 0.692 123.487 122.820 -0.041 0.000 2.019 336 A HA -0.103 4.216 4.320 -0.000 0.000 0.219 336 A C 2.238 179.809 177.584 -0.022 0.000 1.164 336 A CA 0.898 52.917 52.037 -0.030 0.000 0.644 336 A CB -0.468 18.515 19.000 -0.028 0.000 0.805 336 A HN 0.197 nan 8.150 nan 0.000 0.449 337 L N -1.809 119.400 121.223 -0.024 0.000 2.446 337 L HA 0.056 4.395 4.340 -0.000 0.000 0.219 337 L C 2.516 179.375 176.870 -0.020 0.000 1.116 337 L CA 0.477 55.304 54.840 -0.022 0.000 0.844 337 L CB -0.319 41.723 42.059 -0.028 0.000 0.970 337 L HN 0.382 nan 8.230 nan 0.000 0.457 338 R N 0.579 121.068 120.500 -0.017 0.000 2.096 338 R HA -0.231 4.109 4.340 -0.000 0.000 0.240 338 R C 2.276 178.576 176.300 0.001 0.000 1.139 338 R CA 1.675 57.772 56.100 -0.005 0.000 0.952 338 R CB -0.270 30.022 30.300 -0.014 0.000 0.854 338 R HN 0.188 nan 8.270 nan 0.000 0.436 339 L N 1.477 122.696 121.223 -0.006 0.000 2.131 339 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 339 L C 1.703 178.575 176.870 0.004 0.000 1.092 339 L CA 1.813 56.652 54.840 -0.002 0.000 0.759 339 L CB -0.361 41.694 42.059 -0.006 0.000 0.903 339 L HN 0.223 nan 8.230 nan 0.000 0.435 340 E N -0.925 119.275 120.200 0.000 0.000 2.077 340 E HA -0.257 4.093 4.350 -0.000 0.000 0.193 340 E C 2.077 178.681 176.600 0.007 0.000 0.989 340 E CA 1.433 57.835 56.400 0.002 0.000 0.800 340 E CB -0.277 29.419 29.700 -0.006 0.000 0.746 340 E HN 0.402 nan 8.360 nan 0.000 0.452 341 L N 0.568 121.796 121.223 0.008 0.000 2.056 341 L HA -0.124 4.215 4.340 -0.000 0.000 0.207 341 L C 2.184 179.083 176.870 0.048 0.000 1.078 341 L CA 1.276 56.136 54.840 0.033 0.000 0.749 341 L CB -0.345 41.745 42.059 0.050 0.000 0.901 341 L HN -0.071 nan 8.230 nan 0.000 0.433 342 V N -0.106 119.833 119.914 0.042 0.000 2.332 342 V HA -0.326 3.793 4.120 -0.000 0.000 0.248 342 V C 2.579 178.691 176.094 0.029 0.000 1.055 342 V CA 2.163 64.487 62.300 0.040 0.000 1.038 342 V CB -0.693 31.146 31.823 0.028 0.000 0.651 342 V HN 0.470 nan 8.190 nan 0.000 0.450 343 K N 0.213 120.626 120.400 0.022 0.000 2.097 343 K HA -0.056 4.263 4.320 -0.000 0.000 0.205 343 K C 2.269 178.883 176.600 0.022 0.000 1.050 343 K CA 1.355 57.653 56.287 0.018 0.000 0.938 343 K CB -0.392 32.117 32.500 0.015 0.000 0.718 343 K HN 0.473 nan 8.250 nan 0.000 0.442 344 A N 1.079 123.916 122.820 0.028 0.000 1.969 344 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 344 A C 1.995 179.599 177.584 0.033 0.000 1.169 344 A CA 1.134 53.191 52.037 0.034 0.000 0.635 344 A CB -0.419 18.604 19.000 0.039 0.000 0.810 344 A HN 0.161 nan 8.150 nan 0.000 0.445 345 L N -0.863 120.381 121.223 0.034 0.000 2.341 345 L HA 0.030 4.369 4.340 -0.000 0.000 0.214 345 L C 0.847 177.725 176.870 0.014 0.000 1.115 345 L CA -0.055 54.802 54.840 0.028 0.000 0.820 345 L CB -0.164 41.919 42.059 0.040 0.000 0.944 345 L HN 0.243 nan 8.230 nan 0.000 0.452 346 R N 0.385 120.893 120.500 0.014 0.000 2.484 346 R HA 0.148 4.488 4.340 -0.000 0.000 0.293 346 R C 1.147 177.444 176.300 -0.005 0.000 1.023 346 R CA 0.828 56.930 56.100 0.004 0.000 1.037 346 R CB 0.093 30.397 30.300 0.006 0.000 0.951 346 R HN 0.317 nan 8.270 nan 0.000 0.418 347 G N 1.214 110.004 108.800 -0.016 0.000 2.199 347 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.254 347 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.254 347 G C 0.057 174.930 174.900 -0.045 0.000 0.982 347 G CA 0.202 45.285 45.100 -0.028 0.000 0.632 347 G HN 0.628 nan 8.290 nan 0.000 0.529 348 V N -3.372 116.515 119.914 -0.045 0.000 3.001 348 V HA 0.822 4.941 4.120 -0.000 0.000 0.314 348 V C 0.732 176.768 176.094 -0.098 0.000 1.099 348 V CA -0.119 62.136 62.300 -0.075 0.000 0.989 348 V CB 1.925 33.727 31.823 -0.035 0.000 1.040 348 V HN -0.079 nan 8.190 nan 0.000 0.434 349 D N 1.472 121.763 120.400 -0.181 0.000 2.194 349 D HA 0.397 5.037 4.640 -0.000 0.000 0.204 349 D C 0.684 176.926 176.300 -0.096 0.000 0.964 349 D CA 1.936 55.824 54.000 -0.187 0.000 0.846 349 D CB 0.989 41.582 40.800 -0.346 0.000 0.962 349 D HN 1.066 nan 8.370 nan 0.000 0.490 350 A N -0.430 122.365 122.820 -0.042 0.000 2.544 350 A HA 0.534 4.853 4.320 -0.000 0.000 0.291 350 A C -1.651 176.013 177.584 0.132 0.000 1.055 350 A CA -0.704 51.374 52.037 0.067 0.000 0.651 350 A CB 0.450 19.536 19.000 0.143 0.000 1.296 350 A HN 0.009 nan 8.150 nan 0.000 0.431 351 L N 0.461 121.720 121.223 0.061 0.000 2.334 351 L HA 0.678 5.018 4.340 -0.000 0.000 0.275 351 L C -0.752 176.130 176.870 0.019 0.000 1.036 351 L CA -0.622 54.243 54.840 0.043 0.000 0.807 351 L CB 1.335 43.364 42.059 -0.050 0.000 1.231 351 L HN 0.595 nan 8.230 nan 0.000 0.438 352 L N 4.260 125.516 121.223 0.055 0.000 2.386 352 L HA 0.729 5.068 4.340 -0.000 0.000 0.271 352 L C -0.875 176.040 176.870 0.076 0.000 0.993 352 L CA -0.713 54.137 54.840 0.016 0.000 0.819 352 L CB 2.129 44.179 42.059 -0.015 0.000 1.294 352 L HN 0.530 nan 8.230 nan 0.000 0.414 353 L N 1.132 122.278 121.223 -0.129 0.000 2.731 353 L HA 0.627 4.966 4.340 -0.000 0.000 0.256 353 L C -3.005 173.590 176.870 -0.458 0.000 0.947 353 L CA -1.826 52.752 54.840 -0.436 0.000 0.914 353 L CB 1.609 43.576 42.059 -0.153 0.000 1.470 353 L HN 0.181 nan 8.230 nan 0.000 0.421 354 P HA 0.039 nan 4.420 nan 0.000 0.269 354 P C 0.384 177.647 177.300 -0.061 0.000 1.217 354 P CA -0.211 62.736 63.100 -0.255 0.000 0.783 354 P CB 1.109 32.703 31.700 -0.176 0.000 0.898 355 V N 0.892 120.846 119.914 0.066 0.000 3.506 355 V HA 0.015 4.134 4.120 -0.000 0.000 0.263 355 V C 0.410 176.606 176.094 0.170 0.000 1.203 355 V CA 1.285 63.653 62.300 0.113 0.000 1.133 355 V CB -0.716 31.188 31.823 0.135 0.000 0.802 355 V HN 0.626 nan 8.190 nan 0.000 0.459 356 Q N -0.301 119.610 119.800 0.184 0.000 2.418 356 Q HA 0.437 4.776 4.340 -0.000 0.000 0.282 356 Q C -2.690 173.349 176.000 0.065 0.000 1.044 356 Q CA -1.629 54.317 55.803 0.238 0.000 0.813 356 Q CB 1.821 30.851 28.738 0.485 0.000 1.428 356 Q HN 0.005 nan 8.270 nan 0.000 0.402 357 P HA 0.143 nan 4.420 nan 0.000 0.239 357 P C -0.248 176.973 177.300 -0.132 0.000 1.188 357 P CA 0.409 63.397 63.100 -0.187 0.000 0.794 357 P CB 0.900 32.382 31.700 -0.364 0.000 0.937 358 L N -0.612 120.570 121.223 -0.068 0.000 2.568 358 L HA 0.501 4.841 4.340 -0.000 0.000 0.257 358 L C -2.704 174.205 176.870 0.064 0.000 1.024 358 L CA -2.609 52.233 54.840 0.003 0.000 0.854 358 L CB 2.516 44.572 42.059 -0.005 0.000 1.460 358 L HN -0.339 nan 8.230 nan 0.000 0.409 359 P HA 0.116 nan 4.420 nan 0.000 0.272 359 P C -0.796 176.306 177.300 -0.330 0.000 1.240 359 P CA -0.388 62.623 63.100 -0.149 0.000 0.791 359 P CB 0.653 32.286 31.700 -0.111 0.000 0.978 360 A N 2.810 125.222 122.820 -0.680 0.000 2.566 360 A HA 0.210 4.530 4.320 -0.000 0.000 0.245 360 A C -1.737 175.622 177.584 -0.375 0.000 1.056 360 A CA -0.494 50.953 52.037 -0.983 0.000 0.757 360 A CB -1.418 17.132 19.000 -0.750 0.000 0.979 360 A HN 0.426 nan 8.150 nan 0.000 0.508 361 P HA 0.397 nan 4.420 nan 0.000 0.280 361 P C -2.870 174.422 177.300 -0.013 0.000 1.272 361 P CA -2.108 60.968 63.100 -0.040 0.000 0.819 361 P CB 0.130 31.885 31.700 0.091 0.000 1.122 362 P HA 0.088 nan 4.420 nan 0.000 0.268 362 P C 0.014 177.326 177.300 0.019 0.000 1.208 362 P CA 0.300 63.407 63.100 0.013 0.000 0.777 362 P CB 0.197 31.907 31.700 0.016 0.000 0.875 363 L N 1.826 123.056 121.223 0.012 0.000 2.514 363 L HA 0.137 4.477 4.340 -0.000 0.000 0.280 363 L C 1.781 178.649 176.870 -0.003 0.000 1.223 363 L CA 1.089 55.931 54.840 0.003 0.000 0.864 363 L CB -0.786 41.274 42.059 0.002 0.000 1.118 363 L HN 0.804 nan 8.230 nan 0.000 0.494 364 G N 1.454 110.241 108.800 -0.021 0.000 2.176 364 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.253 364 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.253 364 G C 0.376 175.275 174.900 -0.003 0.000 0.979 364 G CA 0.154 45.242 45.100 -0.021 0.000 0.641 364 G HN 0.573 nan 8.290 nan 0.000 0.530 365 T N 1.185 115.751 114.554 0.020 0.000 2.738 365 T HA 0.411 4.760 4.350 -0.000 0.000 0.293 365 T C 1.214 175.974 174.700 0.101 0.000 0.913 365 T CA 0.600 62.748 62.100 0.081 0.000 1.103 365 T CB 1.127 70.084 68.868 0.147 0.000 0.880 365 T HN 0.467 nan 8.240 nan 0.000 0.526 366 E N 2.001 122.254 120.200 0.088 0.000 2.364 366 E HA 0.071 4.421 4.350 -0.000 0.000 0.196 366 E C 0.426 177.123 176.600 0.161 0.000 0.990 366 E CA 0.456 56.917 56.400 0.101 0.000 0.886 366 E CB 0.658 30.390 29.700 0.053 0.000 0.866 366 E HN 0.661 nan 8.360 nan 0.000 0.493 367 E N 0.746 121.030 120.200 0.140 0.000 2.317 367 E HA 0.390 4.740 4.350 -0.000 0.000 0.270 367 E C -0.954 175.714 176.600 0.113 0.000 0.885 367 E CA -0.676 55.793 56.400 0.114 0.000 0.760 367 E CB 3.010 32.747 29.700 0.063 0.000 1.227 367 E HN -0.081 nan 8.360 nan 0.000 0.434 368 V N -1.356 118.604 119.914 0.077 0.000 3.141 368 V HA 0.567 4.686 4.120 -0.000 0.000 0.312 368 V C -0.657 175.429 176.094 -0.012 0.000 1.157 368 V CA -0.944 61.384 62.300 0.046 0.000 1.041 368 V CB 2.239 34.088 31.823 0.043 0.000 1.071 368 V HN 0.514 nan 8.190 nan 0.000 0.441 369 E N 1.969 122.155 120.200 -0.023 0.000 2.081 369 E HA 0.574 4.924 4.350 -0.000 0.000 0.276 369 E C -0.951 175.607 176.600 -0.070 0.000 0.950 369 E CA -0.143 56.233 56.400 -0.039 0.000 0.776 369 E CB 1.446 31.132 29.700 -0.022 0.000 1.094 369 E HN 0.661 nan 8.360 nan 0.000 0.402 370 L N 1.693 122.865 121.223 -0.086 0.000 2.376 370 L HA 0.275 4.615 4.340 -0.000 0.000 0.267 370 L C 2.014 178.839 176.870 -0.075 0.000 1.035 370 L CA -0.572 54.205 54.840 -0.106 0.000 0.800 370 L CB 0.841 42.816 42.059 -0.139 0.000 1.290 370 L HN 0.517 nan 8.230 nan 0.000 0.462 371 E N -0.343 119.815 120.200 -0.071 0.000 2.333 371 E HA -0.177 4.173 4.350 -0.000 0.000 0.198 371 E C 1.117 177.689 176.600 -0.048 0.000 1.007 371 E CA 1.504 57.875 56.400 -0.049 0.000 0.845 371 E CB -0.010 29.666 29.700 -0.040 0.000 0.766 371 E HN 0.644 nan 8.360 nan 0.000 0.507 372 S N -0.461 115.202 115.700 -0.062 0.000 2.540 372 S HA 0.478 4.948 4.470 -0.000 0.000 0.218 372 S C 0.731 175.299 174.600 -0.053 0.000 0.977 372 S CA -0.105 58.061 58.200 -0.057 0.000 0.918 372 S CB 0.835 63.993 63.200 -0.071 0.000 0.806 372 S HN 0.620 nan 8.310 nan 0.000 0.496 373 G N 1.316 110.084 108.800 -0.052 0.000 2.353 373 G HA2 0.025 3.985 3.960 -0.000 0.000 0.615 373 G HA3 0.025 3.985 3.960 -0.000 0.000 0.615 373 G C -1.184 173.687 174.900 -0.050 0.000 1.280 373 G CA -1.281 43.793 45.100 -0.044 0.000 1.000 373 G HN 0.380 nan 8.290 nan 0.000 0.516 374 R N 0.047 120.525 120.500 -0.036 0.000 2.734 374 R HA 0.529 4.868 4.340 -0.000 0.000 0.266 374 R C -0.152 176.122 176.300 -0.045 0.000 1.044 374 R CA 0.154 56.235 56.100 -0.032 0.000 1.128 374 R CB 0.735 31.027 30.300 -0.014 0.000 1.010 374 R HN 0.560 nan 8.270 nan 0.000 0.461 375 K N -0.280 120.094 120.400 -0.043 0.000 2.562 375 K HA 0.273 4.593 4.320 -0.000 0.000 0.267 375 K C -0.859 175.730 176.600 -0.019 0.000 0.938 375 K CA -0.309 55.942 56.287 -0.060 0.000 0.840 375 K CB 1.949 34.379 32.500 -0.117 0.000 1.390 375 K HN 0.714 nan 8.250 nan 0.000 0.428 376 G N 2.152 110.949 108.800 -0.005 0.000 2.484 376 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.235 376 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.235 376 G C 0.596 175.566 174.900 0.117 0.000 1.282 376 G CA 0.130 45.269 45.100 0.065 0.000 0.857 376 G HN 0.812 nan 8.290 nan 0.000 0.571 377 H N 2.315 121.457 119.070 0.121 0.000 2.289 377 H HA -0.150 4.406 4.556 -0.001 0.000 0.296 377 H C 2.472 177.975 175.328 0.292 0.000 1.091 377 H CA 2.201 58.403 56.048 0.257 0.000 1.274 377 H CB 0.072 29.972 29.762 0.231 0.000 1.364 377 H HN 0.696 nan 8.280 nan 0.000 0.490 378 R N 0.538 121.300 120.500 0.437 0.000 2.082 378 R HA -0.171 4.169 4.340 -0.000 0.000 0.234 378 R C 2.565 179.004 176.300 0.232 0.000 1.136 378 R CA 2.181 58.497 56.100 0.360 0.000 0.935 378 R CB -0.320 30.159 30.300 0.298 0.000 0.842 378 R HN 0.473 nan 8.270 nan 0.000 0.430 379 E N -0.538 119.707 120.200 0.074 0.000 2.153 379 E HA -0.178 4.171 4.350 -0.000 0.000 0.194 379 E C 1.721 178.194 176.600 -0.212 0.000 0.988 379 E CA 1.146 57.393 56.400 -0.254 0.000 0.811 379 E CB -0.084 29.262 29.700 -0.591 0.000 0.746 379 E HN 0.523 nan 8.360 nan 0.000 0.466 380 A N -0.067 122.648 122.820 -0.176 0.000 1.898 380 A HA -0.092 4.227 4.320 -0.000 0.000 0.216 380 A C 1.606 178.959 177.584 -0.386 0.000 1.181 380 A CA 0.972 52.811 52.037 -0.329 0.000 0.620 380 A CB -0.470 18.269 19.000 -0.435 0.000 0.819 380 A HN 0.349 nan 8.150 nan 0.000 0.442 381 F N -2.089 117.791 119.950 -0.117 0.000 2.727 381 F HA 0.285 4.811 4.527 -0.001 0.000 0.302 381 F C 1.563 177.352 175.800 -0.018 0.000 1.097 381 F CA 0.109 58.070 58.000 -0.064 0.000 1.330 381 F CB 0.381 39.313 39.000 -0.115 0.000 1.084 381 F HN 0.195 nan 8.300 nan 0.000 0.578 382 I N -1.177 119.482 120.570 0.149 0.000 4.032 382 I HA -0.025 4.144 4.170 -0.000 0.000 0.313 382 I C 2.053 178.196 176.117 0.042 0.000 1.272 382 I CA 0.950 62.303 61.300 0.088 0.000 1.307 382 I CB -0.432 37.641 38.000 0.122 0.000 1.155 382 I HN -0.121 nan 8.210 nan 0.000 0.431 383 T N 1.185 115.770 114.554 0.053 0.000 2.759 383 T HA -0.147 4.202 4.350 -0.000 0.000 0.269 383 T C 1.898 176.668 174.700 0.116 0.000 1.042 383 T CA 1.668 63.800 62.100 0.054 0.000 1.140 383 T CB -0.306 68.506 68.868 -0.093 0.000 0.864 383 T HN 0.257 nan 8.240 nan 0.000 0.455 384 L N 1.064 122.344 121.223 0.095 0.000 2.156 384 L HA -0.054 4.286 4.340 -0.000 0.000 0.208 384 L C 2.903 179.934 176.870 0.269 0.000 1.095 384 L CA 1.450 56.428 54.840 0.229 0.000 0.770 384 L CB -0.835 41.297 42.059 0.122 0.000 0.914 384 L HN 0.461 nan 8.230 nan 0.000 0.439 385 T N -2.552 112.082 114.554 0.133 0.000 3.042 385 T HA 0.006 4.356 4.350 -0.000 0.000 0.245 385 T C 1.767 176.433 174.700 -0.058 0.000 1.029 385 T CA 0.430 62.606 62.100 0.126 0.000 1.120 385 T CB -0.476 68.433 68.868 0.069 0.000 0.917 385 T HN 0.202 nan 8.240 nan 0.000 0.467 386 L N 1.273 122.368 121.223 -0.214 0.000 2.129 386 L HA 0.138 4.478 4.340 -0.000 0.000 0.212 386 L C -0.891 175.751 176.870 -0.380 0.000 1.087 386 L CA 1.594 56.174 54.840 -0.434 0.000 0.757 386 L CB -2.455 39.121 42.059 -0.805 0.000 0.896 386 L HN 0.145 nan 8.230 nan 0.000 0.434 387 P HA -0.127 nan 4.420 nan 0.000 0.215 387 P C 1.443 178.362 177.300 -0.634 0.000 1.153 387 P CA 1.597 64.293 63.100 -0.674 0.000 0.853 387 P CB -0.180 30.854 31.700 -1.110 0.000 0.788 388 F N -0.159 119.736 119.950 -0.091 0.000 2.325 388 F HA -0.064 4.462 4.527 -0.000 0.000 0.299 388 F C 2.375 178.121 175.800 -0.089 0.000 1.090 388 F CA 1.288 59.237 58.000 -0.085 0.000 1.392 388 F CB -1.690 37.250 39.000 -0.101 0.000 1.053 388 F HN -0.024 nan 8.300 nan 0.000 0.521 389 S N 0.188 115.876 115.700 -0.020 0.000 2.406 389 S HA -0.070 4.400 4.470 -0.000 0.000 0.224 389 S C 1.921 176.621 174.600 0.166 0.000 1.030 389 S CA 0.516 58.685 58.200 -0.051 0.000 0.958 389 S CB -0.972 62.182 63.200 -0.076 0.000 0.811 389 S HN 0.283 nan 8.310 nan 0.000 0.489 390 L N 1.489 122.773 121.223 0.102 0.000 2.043 390 L HA 0.116 4.456 4.340 -0.000 0.000 0.212 390 L C 1.896 178.820 176.870 0.090 0.000 1.075 390 L CA 1.759 56.686 54.840 0.144 0.000 0.752 390 L CB -0.538 41.589 42.059 0.112 0.000 0.891 390 L HN 0.368 nan 8.230 nan 0.000 0.432 391 L N -0.950 120.315 121.223 0.071 0.000 2.592 391 L HA 0.294 4.634 4.340 -0.000 0.000 0.227 391 L C 1.506 178.504 176.870 0.212 0.000 1.127 391 L CA 0.453 55.356 54.840 0.105 0.000 0.884 391 L CB -0.529 41.576 42.059 0.077 0.000 1.065 391 L HN 0.517 nan 8.230 nan 0.000 0.457 392 G N 1.027 109.961 108.800 0.223 0.000 2.155 392 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.257 392 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.257 392 G C 0.380 175.232 174.900 -0.079 0.000 0.983 392 G CA 0.347 45.611 45.100 0.272 0.000 0.676 392 G HN 0.270 nan 8.290 nan 0.000 0.528 393 V N -1.884 118.018 119.914 -0.020 0.000 2.732 393 V HA 0.743 4.862 4.120 -0.000 0.000 0.297 393 V C -1.392 174.649 176.094 -0.089 0.000 1.060 393 V CA -2.250 59.992 62.300 -0.097 0.000 1.038 393 V CB 1.366 33.236 31.823 0.078 0.000 1.003 393 V HN 0.169 nan 8.190 nan 0.000 0.481 394 P HA 0.201 nan 4.420 nan 0.000 0.267 394 P C -0.345 176.950 177.300 -0.007 0.000 1.209 394 P CA 0.460 63.519 63.100 -0.068 0.000 0.763 394 P CB 0.476 32.236 31.700 0.101 0.000 0.816 395 T N 4.251 118.756 114.554 -0.081 0.000 2.928 395 T HA 0.395 4.745 4.350 -0.000 0.000 0.296 395 T C -0.479 174.296 174.700 0.125 0.000 1.000 395 T CA -0.462 61.628 62.100 -0.016 0.000 0.989 395 T CB 1.181 69.990 68.868 -0.098 0.000 1.005 395 T HN 0.225 nan 8.240 nan 0.000 0.442 396 L N 3.050 124.411 121.223 0.231 0.000 2.322 396 L HA 0.890 5.230 4.340 -0.000 0.000 0.279 396 L C -0.559 176.393 176.870 0.136 0.000 1.036 396 L CA -0.456 54.568 54.840 0.306 0.000 0.807 396 L CB 1.025 43.225 42.059 0.235 0.000 1.226 396 L HN 0.794 nan 8.230 nan 0.000 0.433 397 A N 5.569 128.474 122.820 0.143 0.000 2.330 397 A HA 0.786 5.106 4.320 -0.000 0.000 0.313 397 A C -1.622 176.033 177.584 0.117 0.000 1.124 397 A CA -0.481 51.620 52.037 0.106 0.000 0.774 397 A CB 0.765 19.825 19.000 0.101 0.000 1.198 397 A HN 0.691 nan 8.150 nan 0.000 0.465 398 L N 0.357 121.649 121.223 0.116 0.000 2.424 398 L HA 0.806 5.146 4.340 -0.000 0.000 0.258 398 L C -3.168 173.802 176.870 0.166 0.000 0.995 398 L CA -2.961 51.952 54.840 0.121 0.000 0.821 398 L CB 0.462 42.579 42.059 0.096 0.000 1.383 398 L HN 0.208 nan 8.230 nan 0.000 0.410 399 P HA 0.265 nan 4.420 nan 0.000 0.268 399 P C -0.282 177.154 177.300 0.227 0.000 1.204 399 P CA 0.314 63.509 63.100 0.160 0.000 0.768 399 P CB 0.186 31.937 31.700 0.085 0.000 0.842 400 F N 1.597 121.570 119.950 0.038 0.000 2.964 400 F HA 0.718 5.245 4.527 -0.000 0.000 0.371 400 F C -0.214 175.605 175.800 0.032 0.000 1.026 400 F CA -0.099 57.920 58.000 0.033 0.000 1.106 400 F CB 0.350 39.379 39.000 0.048 0.000 1.135 400 F HN 0.355 nan 8.300 nan 0.000 0.557 401 A N 0.732 123.131 122.820 -0.702 0.000 2.557 401 A HA 0.790 5.110 4.320 -0.000 0.000 0.292 401 A C -1.604 175.772 177.584 -0.346 0.000 1.139 401 A CA -0.846 50.805 52.037 -0.643 0.000 0.665 401 A CB 1.347 19.686 19.000 -1.102 0.000 1.285 401 A HN 0.064 nan 8.150 nan 0.000 0.433 402 K N 0.285 120.539 120.400 -0.243 0.000 2.482 402 K HA 0.666 4.985 4.320 -0.000 0.000 0.251 402 K C -1.758 174.769 176.600 -0.121 0.000 0.936 402 K CA -0.461 55.739 56.287 -0.145 0.000 0.791 402 K CB 2.078 34.520 32.500 -0.097 0.000 1.213 402 K HN 0.540 nan 8.250 nan 0.000 0.428 403 V N 1.817 121.673 119.914 -0.096 0.000 2.623 403 V HA 0.210 4.330 4.120 -0.000 0.000 0.304 403 V C 0.249 176.308 176.094 -0.058 0.000 1.054 403 V CA -0.693 61.564 62.300 -0.072 0.000 0.882 403 V CB 1.470 33.252 31.823 -0.067 0.000 1.002 403 V HN 0.912 nan 8.190 nan 0.000 0.424 404 E N 2.507 122.681 120.200 -0.044 0.000 2.971 404 E HA -0.218 4.132 4.350 -0.000 0.000 0.278 404 E C 0.725 177.303 176.600 -0.036 0.000 1.009 404 E CA 0.765 57.143 56.400 -0.036 0.000 0.862 404 E CB -1.032 28.646 29.700 -0.036 0.000 1.436 404 E HN 1.667 nan 8.360 nan 0.000 0.434 408 V N 0.788 120.678 119.914 -0.040 0.000 2.525 408 V HA 0.788 4.908 4.120 -0.000 0.000 0.299 408 V C 0.549 176.721 176.094 0.130 0.000 1.034 408 V CA -0.153 62.150 62.300 0.006 0.000 0.863 408 V CB 2.031 33.769 31.823 -0.142 0.000 0.999 408 V HN 0.894 nan 8.190 nan 0.000 0.423 409 G N 2.884 111.848 108.800 0.274 0.000 2.462 409 G HA2 0.667 4.626 3.960 -0.000 0.000 0.319 409 G HA3 0.667 4.626 3.960 -0.000 0.000 0.319 409 G C -1.354 173.804 174.900 0.429 0.000 1.171 409 G CA -0.512 44.796 45.100 0.345 0.000 0.920 409 G HN 0.589 nan 8.290 nan 0.000 0.499 410 L N -0.452 120.934 121.223 0.271 0.000 2.346 410 L HA 0.511 4.851 4.340 -0.000 0.000 0.274 410 L C -0.132 176.716 176.870 -0.037 0.000 1.007 410 L CA -0.555 54.255 54.840 -0.050 0.000 0.818 410 L CB 2.082 43.968 42.059 -0.288 0.000 1.284 410 L HN 0.551 nan 8.230 nan 0.000 0.424 411 Q N 3.179 122.918 119.800 -0.102 0.000 2.256 411 Q HA 0.601 4.941 4.340 -0.000 0.000 0.257 411 Q C -1.387 174.533 176.000 -0.133 0.000 0.936 411 Q CA -0.806 54.938 55.803 -0.099 0.000 0.903 411 Q CB 2.451 31.107 28.738 -0.137 0.000 1.263 411 Q HN 0.516 nan 8.270 nan 0.000 0.440 412 V N 3.393 123.255 119.914 -0.087 0.000 2.350 412 V HA 0.305 4.425 4.120 -0.000 0.000 0.285 412 V C -0.446 175.597 176.094 -0.084 0.000 1.014 412 V CA -0.696 61.574 62.300 -0.051 0.000 0.831 412 V CB 1.571 33.414 31.823 0.033 0.000 1.000 412 V HN 0.492 nan 8.190 nan 0.000 0.433 413 V N 4.356 124.169 119.914 -0.169 0.000 2.398 413 V HA 0.832 4.952 4.120 -0.000 0.000 0.286 413 V C 0.766 176.814 176.094 -0.078 0.000 1.026 413 V CA -0.091 62.064 62.300 -0.242 0.000 0.868 413 V CB 1.451 32.913 31.823 -0.601 0.000 0.982 413 V HN 0.897 nan 8.190 nan 0.000 0.443 414 G N 2.534 111.325 108.800 -0.015 0.000 2.735 414 G HA2 0.750 4.709 3.960 -0.000 0.000 0.301 414 G HA3 0.750 4.709 3.960 -0.000 0.000 0.301 414 G C -0.281 174.649 174.900 0.050 0.000 1.279 414 G CA -0.358 44.760 45.100 0.030 0.000 1.019 414 G HN 1.018 nan 8.290 nan 0.000 0.497 415 A N -0.867 121.994 122.820 0.068 0.000 2.366 415 A HA 0.476 4.796 4.320 -0.000 0.000 0.249 415 A C -0.235 177.435 177.584 0.145 0.000 1.084 415 A CA -0.394 51.708 52.037 0.107 0.000 0.794 415 A CB -0.018 19.038 19.000 0.094 0.000 1.034 415 A HN 0.713 nan 8.150 nan 0.000 0.491 416 Y N 0.510 120.853 120.300 0.071 0.000 2.810 416 Y HA 0.239 4.789 4.550 -0.000 0.000 0.332 416 Y C 1.631 177.579 175.900 0.081 0.000 1.243 416 Y CA 1.721 59.872 58.100 0.084 0.000 1.537 416 Y CB 0.292 38.797 38.460 0.074 0.000 1.265 416 Y HN 1.334 nan 8.280 nan 0.000 0.572 417 G N 3.584 112.483 108.800 0.165 0.000 2.184 417 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.264 417 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.264 417 G C 0.352 175.330 174.900 0.130 0.000 0.975 417 G CA 0.321 45.529 45.100 0.179 0.000 0.642 417 G HN 0.566 nan 8.290 nan 0.000 0.536 418 E N 1.101 121.370 120.200 0.115 0.000 2.354 418 E HA 0.284 4.634 4.350 -0.000 0.000 0.252 418 E C 1.019 177.693 176.600 0.123 0.000 1.330 418 E CA 0.136 56.596 56.400 0.101 0.000 1.658 418 E CB -0.080 29.667 29.700 0.078 0.000 1.460 418 E HN 0.528 nan 8.360 nan 0.000 0.435 419 D N 0.145 120.647 120.400 0.169 0.000 2.123 419 D HA -0.155 4.485 4.640 -0.000 0.000 0.196 419 D C 1.955 178.348 176.300 0.155 0.000 0.992 419 D CA 1.572 55.742 54.000 0.283 0.000 0.833 419 D CB -0.121 40.893 40.800 0.356 0.000 0.954 419 D HN 0.407 nan 8.370 nan 0.000 0.455 420 G N 0.467 109.334 108.800 0.111 0.000 2.418 420 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.217 420 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.217 420 G C 1.481 176.383 174.900 0.003 0.000 1.158 420 G CA 0.813 45.945 45.100 0.053 0.000 0.771 420 G HN 0.248 nan 8.290 nan 0.000 0.545 421 K N 0.003 120.416 120.400 0.022 0.000 2.057 421 K HA -0.011 4.308 4.320 -0.000 0.000 0.206 421 K C 2.567 179.172 176.600 0.008 0.000 1.050 421 K CA 1.068 57.355 56.287 0.001 0.000 0.935 421 K CB -0.188 32.314 32.500 0.004 0.000 0.715 421 K HN 0.184 nan 8.250 nan 0.000 0.439 422 V N 1.738 121.675 119.914 0.040 0.000 2.295 422 V HA -0.256 3.863 4.120 -0.000 0.000 0.246 422 V C 2.295 178.379 176.094 -0.017 0.000 1.049 422 V CA 1.612 63.946 62.300 0.057 0.000 1.024 422 V CB -0.351 31.566 31.823 0.157 0.000 0.648 422 V HN 0.321 nan 8.190 nan 0.000 0.447 423 L N -0.045 121.105 121.223 -0.123 0.000 2.083 423 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 423 L C 2.693 179.507 176.870 -0.093 0.000 1.083 423 L CA 1.475 56.194 54.840 -0.201 0.000 0.752 423 L CB -0.748 41.148 42.059 -0.271 0.000 0.899 423 L HN 0.361 nan 8.230 nan 0.000 0.433 424 A N 0.130 122.911 122.820 -0.066 0.000 1.873 424 A HA -0.143 4.177 4.320 -0.000 0.000 0.215 424 A C 2.226 179.850 177.584 0.066 0.000 1.186 424 A CA 1.322 53.343 52.037 -0.026 0.000 0.616 424 A CB -0.673 18.303 19.000 -0.040 0.000 0.823 424 A HN 0.345 nan 8.150 nan 0.000 0.442 425 L N -0.606 120.661 121.223 0.073 0.000 2.131 425 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 425 L C 2.770 179.793 176.870 0.255 0.000 1.092 425 L CA 0.922 55.871 54.840 0.181 0.000 0.759 425 L CB -0.667 41.504 42.059 0.186 0.000 0.903 425 L HN 0.496 nan 8.230 nan 0.000 0.435 426 G N -0.328 108.554 108.800 0.136 0.000 2.402 426 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.216 426 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.216 426 G C 1.599 176.567 174.900 0.113 0.000 1.162 426 G CA 0.692 45.855 45.100 0.105 0.000 0.777 426 G HN 0.474 nan 8.290 nan 0.000 0.539 427 G N -0.246 108.612 108.800 0.097 0.000 2.408 427 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.217 427 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.217 427 G C 1.560 176.538 174.900 0.130 0.000 1.150 427 G CA 0.826 45.974 45.100 0.080 0.000 0.776 427 G HN 0.468 nan 8.290 nan 0.000 0.542 428 W N 1.059 122.371 121.300 0.021 0.000 2.355 428 W HA 0.014 4.674 4.660 -0.000 0.000 0.309 428 W C 2.311 178.859 176.519 0.049 0.000 1.206 428 W CA 1.221 58.591 57.345 0.042 0.000 1.284 428 W CB -0.197 29.307 29.460 0.073 0.000 1.145 428 W HN 0.123 nan 8.180 nan 0.000 0.502 429 L N 0.153 121.576 121.223 0.333 0.000 2.027 429 L HA -0.197 4.143 4.340 -0.000 0.000 0.206 429 L C 2.579 179.437 176.870 -0.020 0.000 1.074 429 L CA 1.947 56.867 54.840 0.134 0.000 0.745 429 L CB -1.076 41.084 42.059 0.168 0.000 0.898 429 L HN 0.060 nan 8.230 nan 0.000 0.433 430 E N 0.589 120.800 120.200 0.018 0.000 2.097 430 E HA -0.279 4.071 4.350 -0.000 0.000 0.196 430 E C 2.062 178.630 176.600 -0.053 0.000 1.000 430 E CA 1.345 57.745 56.400 -0.000 0.000 0.804 430 E CB -0.015 29.697 29.700 0.019 0.000 0.740 430 E HN 0.476 nan 8.360 nan 0.000 0.454 431 A N 0.471 123.230 122.820 -0.103 0.000 2.168 431 A HA -0.044 4.275 4.320 -0.000 0.000 0.215 431 A C 1.745 179.211 177.584 -0.197 0.000 1.152 431 A CA 0.724 52.676 52.037 -0.141 0.000 0.716 431 A CB -0.090 18.810 19.000 -0.166 0.000 0.794 431 A HN 0.159 nan 8.150 nan 0.000 0.465 432 R N -1.456 118.898 120.500 -0.243 0.000 2.543 432 R HA 0.464 4.803 4.340 -0.000 0.000 0.323 432 R C -0.104 176.118 176.300 -0.130 0.000 1.002 432 R CA -0.172 55.776 56.100 -0.252 0.000 1.106 432 R CB 0.309 30.325 30.300 -0.474 0.000 1.280 432 R HN 0.354 nan 8.270 nan 0.000 0.549 433 L N -1.565 119.616 121.223 -0.069 0.000 2.664 433 L HA 0.678 5.018 4.340 -0.000 0.000 0.253 433 L C 0.743 177.611 176.870 -0.004 0.000 1.293 433 L CA -1.019 53.820 54.840 -0.001 0.000 1.280 433 L CB 0.807 42.899 42.059 0.056 0.000 1.993 433 L HN 0.029 nan 8.230 nan 0.000 0.577 434 G N 0.000 108.811 108.800 0.018 0.000 5.446 434 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 434 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 434 G CA 0.000 45.099 45.100 -0.001 0.000 0.502 434 G HN 0.000 nan 8.290 nan 0.000 0.925