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 1a2v_1_B DATA FIRST_RESID 18 DATA SEQUENCE PARPAHPLDP LSTAEIKAAT NTVKSYFAGK KISFNTVTLR EPARKAYIQW DATA SEQUENCE KEQGGPLPPR LAYYVILEAG KPGVKEGLVD LASLSVIETR ALETVQPILT DATA SEQUENCE VEDLCSTEEV IRNDPAVIEQ CVLSGIPANE MHKVYCDPWT IGYDERWGTG DATA SEQUENCE KRLQQALVYY RSDEDDSQYS HPLDFCPIVD TEEKKVIFID IPNRRRKVSK DATA SEQUENCE HKHANFYPKH MIEKVGAMRP EAPPINVTQP EGVSFKMTGN VMEWSNFKFH DATA SEQUENCE IGFNYREGIV LSDVSYNDHG NVRPIFHRIS LSEMIVPYGS PEFPHQRKHA DATA SEQUENCE LDIGEYGAGY MTNPLSLGCD CKGVIHYLDA HFSDRAGDPI TVKNAVCIHE DATA SEQUENCE EDDGLLFKHS DFRDNFATSL VTRATKLVVS QIFTAANXEY CLYWVFMQDG DATA SEQUENCE AIRLDIRLTG ILNTYILGDD EEAGPWGTRV YPNVNAHNHQ HLFSLRIDPR DATA SEQUENCE IDGDGNSAAA CDAKSSPYPL GSPENMYGNA FYSEKTTFKT VKDSLTNYES DATA SEQUENCE ATGRSWDIFN PNKVNPYSGK PPSYKLVSTQ CPPLLAKEGS LVAKRAPWAS DATA SEQUENCE HSVNVVPYKD NRLYPSGDHV PQWSGDGVRG MREWIGDGSE NIDNTDILFF DATA SEQUENCE HTFGITHFPA PEDFPLMPAE PITLMLRPRH FFTENPGLDI QPSYAMTTSE DATA SEQUENCE AKRAV 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 18 P HA 0.000 nan 4.420 nan 0.000 0.216 18 P C 0.000 177.304 177.300 0.006 0.000 1.155 18 P CA 0.000 63.101 63.100 0.002 0.000 0.800 18 P CB 0.000 31.700 31.700 0.001 0.000 0.726 19 A N 0.290 123.114 122.820 0.007 0.000 2.292 19 A HA 0.685 5.006 4.320 0.001 0.000 0.319 19 A C 0.134 177.727 177.584 0.016 0.000 1.206 19 A CA -0.551 51.493 52.037 0.011 0.000 0.835 19 A CB 0.339 19.346 19.000 0.011 0.000 1.164 19 A HN 0.432 nan 8.150 nan 0.000 0.505 20 R N 2.100 122.609 120.500 0.015 0.000 2.697 20 R HA 0.239 4.580 4.340 0.001 0.000 0.265 20 R C -1.960 174.357 176.300 0.028 0.000 1.009 20 R CA -0.443 55.666 56.100 0.015 0.000 1.099 20 R CB -0.074 30.229 30.300 0.005 0.000 0.965 20 R HN 0.607 nan 8.270 nan 0.000 0.428 21 P HA 0.126 nan 4.420 nan 0.000 0.279 21 P C -0.336 177.011 177.300 0.078 0.000 1.276 21 P CA -0.401 62.739 63.100 0.067 0.000 0.801 21 P CB 1.011 32.763 31.700 0.087 0.000 1.127 22 A N 0.090 122.980 122.820 0.117 0.000 1.902 22 A HA -0.132 4.189 4.320 0.001 0.000 0.217 22 A C 1.027 178.720 177.584 0.183 0.000 1.181 22 A CA 1.470 53.592 52.037 0.141 0.000 0.623 22 A CB -1.274 17.821 19.000 0.158 0.000 0.818 22 A HN 0.788 nan 8.150 nan 0.000 0.443 23 H N -2.121 117.016 119.070 0.113 0.000 2.589 23 H HA 0.420 4.977 4.556 0.001 0.000 0.351 23 H C -2.276 173.042 175.328 -0.016 0.000 1.074 23 H CA -2.062 54.054 56.048 0.115 0.000 1.203 23 H CB 2.034 31.957 29.762 0.268 0.000 1.558 23 H HN -0.084 nan 8.280 nan 0.000 0.522 24 P HA -0.154 nan 4.420 nan 0.000 0.220 24 P C 0.661 178.003 177.300 0.069 0.000 1.144 24 P CA 1.230 64.264 63.100 -0.110 0.000 0.800 24 P CB 0.268 31.719 31.700 -0.415 0.000 0.772 25 L N -2.168 119.183 121.223 0.213 0.000 2.607 25 L HA 0.150 4.491 4.340 0.001 0.000 0.228 25 L C 0.322 177.090 176.870 -0.169 0.000 1.123 25 L CA -0.213 54.494 54.840 -0.221 0.000 0.890 25 L CB -0.408 41.211 42.059 -0.734 0.000 1.103 25 L HN -0.139 nan 8.230 nan 0.000 0.468 26 D N 1.858 122.320 120.400 0.103 0.000 2.443 26 D HA 0.108 4.749 4.640 0.001 0.000 0.239 26 D C -2.041 174.358 176.300 0.166 0.000 1.136 26 D CA -0.946 53.203 54.000 0.250 0.000 0.879 26 D CB 0.644 41.589 40.800 0.242 0.000 1.195 26 D HN -0.051 nan 8.370 nan 0.000 0.443 27 P HA 0.071 nan 4.420 nan 0.000 0.272 27 P C 0.002 177.402 177.300 0.167 0.000 1.240 27 P CA -0.380 62.830 63.100 0.183 0.000 0.791 27 P CB 0.536 32.367 31.700 0.219 0.000 0.978 28 L N 0.600 121.921 121.223 0.163 0.000 2.490 28 L HA 0.070 4.410 4.340 0.001 0.000 0.274 28 L C 1.255 178.203 176.870 0.130 0.000 1.201 28 L CA 0.074 54.992 54.840 0.130 0.000 0.869 28 L CB -0.193 41.941 42.059 0.125 0.000 1.123 28 L HN 0.496 nan 8.230 nan 0.000 0.484 29 S N -0.121 115.622 115.700 0.071 0.000 2.645 29 S HA 0.118 4.589 4.470 0.001 0.000 0.266 29 S C 1.280 175.841 174.600 -0.066 0.000 1.258 29 S CA -0.196 58.005 58.200 0.001 0.000 0.990 29 S CB 1.305 64.496 63.200 -0.015 0.000 0.967 29 S HN 0.771 nan 8.310 nan 0.000 0.556 30 T N -1.428 112.997 114.554 -0.215 0.000 2.849 30 T HA -0.093 4.257 4.350 0.001 0.000 0.270 30 T C 1.860 176.502 174.700 -0.096 0.000 1.066 30 T CA 1.072 63.062 62.100 -0.184 0.000 1.130 30 T CB -0.933 67.774 68.868 -0.269 0.000 0.864 30 T HN 0.860 nan 8.240 nan 0.000 0.481 31 A N 1.865 124.637 122.820 -0.080 0.000 1.929 31 A HA -0.012 4.308 4.320 0.001 0.000 0.216 31 A C 2.331 179.896 177.584 -0.032 0.000 1.176 31 A CA 1.284 53.292 52.037 -0.050 0.000 0.628 31 A CB -0.516 18.462 19.000 -0.037 0.000 0.816 31 A HN 0.629 nan 8.150 nan 0.000 0.444 32 E N -0.301 119.889 120.200 -0.017 0.000 2.106 32 E HA -0.110 4.241 4.350 0.001 0.000 0.192 32 E C 1.834 178.432 176.600 -0.003 0.000 0.984 32 E CA 0.976 57.377 56.400 0.002 0.000 0.806 32 E CB -0.249 29.467 29.700 0.027 0.000 0.750 32 E HN 0.684 nan 8.360 nan 0.000 0.458 33 I N 1.066 121.631 120.570 -0.008 0.000 2.179 33 I HA -0.272 3.898 4.170 0.001 0.000 0.242 33 I C 2.480 178.546 176.117 -0.085 0.000 1.088 33 I CA 1.035 62.321 61.300 -0.023 0.000 1.357 33 I CB -0.086 37.913 38.000 -0.001 0.000 1.051 33 I HN -0.027 nan 8.210 nan 0.000 0.409 34 K N 1.420 121.773 120.400 -0.079 0.000 2.057 34 K HA -0.082 4.238 4.320 0.001 0.000 0.206 34 K C 2.035 178.584 176.600 -0.085 0.000 1.050 34 K CA 1.654 57.883 56.287 -0.097 0.000 0.935 34 K CB -0.415 32.043 32.500 -0.070 0.000 0.715 34 K HN 0.269 nan 8.250 nan 0.000 0.439 35 A N 0.321 123.109 122.820 -0.053 0.000 1.972 35 A HA -0.048 4.272 4.320 0.001 0.000 0.219 35 A C 2.300 179.860 177.584 -0.040 0.000 1.169 35 A CA 1.950 53.966 52.037 -0.035 0.000 0.635 35 A CB -0.880 18.110 19.000 -0.017 0.000 0.810 35 A HN 0.407 nan 8.150 nan 0.000 0.446 36 A N -0.179 122.610 122.820 -0.051 0.000 1.854 36 A HA -0.065 4.256 4.320 0.001 0.000 0.214 36 A C 2.472 179.988 177.584 -0.115 0.000 1.192 36 A CA 2.437 54.443 52.037 -0.051 0.000 0.611 36 A CB -1.435 17.552 19.000 -0.020 0.000 0.832 36 A HN 0.746 nan 8.150 nan 0.000 0.442 37 T N -1.526 112.882 114.554 -0.244 0.000 2.788 37 T HA -0.170 4.180 4.350 0.001 0.000 0.268 37 T C 1.649 176.276 174.700 -0.122 0.000 1.044 37 T CA 1.576 63.405 62.100 -0.451 0.000 1.139 37 T CB -0.594 67.765 68.868 -0.847 0.000 0.867 37 T HN 0.359 nan 8.240 nan 0.000 0.454 38 N N 1.356 120.006 118.700 -0.083 0.000 2.084 38 N HA -0.048 4.693 4.740 0.001 0.000 0.190 38 N C 2.127 177.654 175.510 0.029 0.000 1.030 38 N CA 1.818 54.863 53.050 -0.007 0.000 0.849 38 N CB -1.126 37.351 38.487 -0.016 0.000 1.012 38 N HN 0.500 nan 8.380 nan 0.000 0.423 39 T N 0.720 115.278 114.554 0.007 0.000 2.720 39 T HA -0.064 4.287 4.350 0.001 0.000 0.268 39 T C 2.100 176.826 174.700 0.043 0.000 1.037 39 T CA 0.943 63.054 62.100 0.019 0.000 1.144 39 T CB -0.318 68.549 68.868 -0.002 0.000 0.864 39 T HN -0.012 nan 8.240 nan 0.000 0.444 40 V N 1.340 121.275 119.914 0.036 0.000 2.379 40 V HA -0.121 4.000 4.120 0.001 0.000 0.245 40 V C 2.522 178.789 176.094 0.289 0.000 1.044 40 V CA 1.377 63.724 62.300 0.079 0.000 1.036 40 V CB -0.431 31.381 31.823 -0.019 0.000 0.664 40 V HN 0.439 nan 8.190 nan 0.000 0.453 41 K N 0.226 120.798 120.400 0.287 0.000 2.063 41 K HA -0.169 4.151 4.320 0.001 0.000 0.208 41 K C 2.396 179.104 176.600 0.179 0.000 1.048 41 K CA 1.863 58.303 56.287 0.254 0.000 0.928 41 K CB -0.358 32.270 32.500 0.214 0.000 0.713 41 K HN 0.426 nan 8.250 nan 0.000 0.442 42 S N 0.478 116.253 115.700 0.124 0.000 2.368 42 S HA -0.160 4.311 4.470 0.001 0.000 0.224 42 S C 1.746 176.364 174.600 0.031 0.000 1.029 42 S CA 0.959 59.199 58.200 0.067 0.000 0.988 42 S CB -0.409 62.820 63.200 0.049 0.000 0.838 42 S HN 0.329 nan 8.310 nan 0.000 0.462 43 Y N 1.336 121.573 120.300 -0.105 0.000 2.165 43 Y HA -0.097 4.454 4.550 0.001 0.000 0.286 43 Y C 0.638 176.274 175.900 -0.439 0.000 1.155 43 Y CA 1.301 59.218 58.100 -0.305 0.000 1.164 43 Y CB -0.186 38.008 38.460 -0.443 0.000 0.978 43 Y HN 0.186 nan 8.280 nan 0.000 0.513 44 F N 0.960 120.966 119.950 0.092 0.000 2.987 44 F HA 0.445 4.972 4.527 0.001 0.000 0.302 44 F C 0.718 176.507 175.800 -0.019 0.000 1.221 44 F CA -0.463 57.543 58.000 0.011 0.000 1.307 44 F CB -0.740 38.290 39.000 0.050 0.000 1.108 44 F HN 0.008 nan 8.300 nan 0.000 0.521 45 A N 0.225 123.066 122.820 0.034 0.000 2.520 45 A HA 0.427 4.747 4.320 0.001 0.000 0.245 45 A C 1.517 179.118 177.584 0.029 0.000 1.072 45 A CA 0.814 52.868 52.037 0.028 0.000 0.761 45 A CB -0.451 18.538 19.000 -0.019 0.000 1.004 45 A HN 1.134 nan 8.150 nan 0.000 0.499 46 G N 1.769 110.591 108.800 0.037 0.000 2.225 46 G HA2 -0.203 3.757 3.960 0.001 0.000 0.254 46 G HA3 -0.203 3.757 3.960 0.001 0.000 0.254 46 G C 0.266 175.188 174.900 0.036 0.000 0.988 46 G CA 0.552 45.668 45.100 0.027 0.000 0.625 46 G HN 0.782 nan 8.290 nan 0.000 0.527 47 K N 0.324 120.761 120.400 0.062 0.000 2.110 47 K HA 0.452 4.773 4.320 0.001 0.000 0.263 47 K C -0.133 176.477 176.600 0.016 0.000 0.975 47 K CA -0.803 55.513 56.287 0.048 0.000 0.895 47 K CB 1.886 34.444 32.500 0.095 0.000 1.060 47 K HN 0.146 nan 8.250 nan 0.000 0.448 48 K N 3.785 124.176 120.400 -0.015 0.000 2.180 48 K HA 0.165 4.485 4.320 0.001 0.000 0.250 48 K C 0.140 176.690 176.600 -0.082 0.000 1.135 48 K CA -0.226 56.043 56.287 -0.031 0.000 1.037 48 K CB -0.339 32.146 32.500 -0.024 0.000 1.624 48 K HN 0.560 nan 8.250 nan 0.000 0.382 49 I N -0.272 120.226 120.570 -0.119 0.000 2.577 49 I HA 0.503 4.674 4.170 0.001 0.000 0.305 49 I C -0.393 175.571 176.117 -0.255 0.000 0.986 49 I CA -0.583 60.569 61.300 -0.247 0.000 1.189 49 I CB 1.936 39.695 38.000 -0.401 0.000 1.355 49 I HN 0.357 nan 8.210 nan 0.000 0.476 50 S N 4.585 120.099 115.700 -0.311 0.000 2.526 50 S HA 0.641 5.112 4.470 0.001 0.000 0.293 50 S C -1.021 173.374 174.600 -0.342 0.000 1.092 50 S CA -0.629 57.444 58.200 -0.211 0.000 0.980 50 S CB 1.318 64.465 63.200 -0.088 0.000 1.048 50 S HN 0.510 nan 8.310 nan 0.000 0.483 51 F N 3.382 123.316 119.950 -0.026 0.000 2.411 51 F HA 0.449 4.976 4.527 0.001 0.000 0.350 51 F C 1.722 177.517 175.800 -0.009 0.000 1.114 51 F CA -0.573 57.419 58.000 -0.015 0.000 1.135 51 F CB 1.242 40.240 39.000 -0.002 0.000 1.120 51 F HN 0.842 nan 8.300 nan 0.000 0.495 52 N N 1.105 119.880 118.700 0.125 0.000 2.482 52 N HA 0.021 4.762 4.740 0.001 0.000 0.179 52 N C -0.386 175.192 175.510 0.114 0.000 1.039 52 N CA 0.681 53.783 53.050 0.087 0.000 0.884 52 N CB 0.654 39.162 38.487 0.035 0.000 1.113 52 N HN 0.543 nan 8.380 nan 0.000 0.440 53 T N 0.626 115.228 114.554 0.079 0.000 3.105 53 T HA 0.420 4.771 4.350 0.001 0.000 0.321 53 T C -1.438 173.266 174.700 0.007 0.000 1.135 53 T CA -0.461 61.595 62.100 -0.073 0.000 1.053 53 T CB 2.484 71.165 68.868 -0.311 0.000 1.133 53 T HN -0.145 nan 8.240 nan 0.000 0.463 54 V N 2.942 122.868 119.914 0.021 0.000 2.462 54 V HA 0.761 4.882 4.120 0.001 0.000 0.288 54 V C -0.084 176.075 176.094 0.109 0.000 1.020 54 V CA -0.465 61.891 62.300 0.093 0.000 0.857 54 V CB 1.550 33.412 31.823 0.064 0.000 1.013 54 V HN 0.970 nan 8.190 nan 0.000 0.431 55 T N 3.861 118.511 114.554 0.160 0.000 2.816 55 T HA 0.635 4.985 4.350 0.001 0.000 0.299 55 T C -1.161 173.682 174.700 0.239 0.000 1.230 55 T CA -0.502 61.729 62.100 0.219 0.000 1.007 55 T CB 1.661 70.679 68.868 0.249 0.000 1.289 55 T HN 0.539 nan 8.240 nan 0.000 0.508 56 L N 2.799 124.148 121.223 0.210 0.000 2.485 56 L HA 0.624 4.965 4.340 0.001 0.000 0.275 56 L C 0.134 177.091 176.870 0.145 0.000 1.207 56 L CA 0.084 55.020 54.840 0.160 0.000 0.855 56 L CB 0.483 42.618 42.059 0.125 0.000 1.114 56 L HN 0.629 nan 8.230 nan 0.000 0.485 57 R N 3.988 124.559 120.500 0.118 0.000 2.287 57 R HA 0.336 4.676 4.340 0.001 0.000 0.316 57 R C -0.700 175.622 176.300 0.037 0.000 1.050 57 R CA -0.249 55.895 56.100 0.074 0.000 0.983 57 R CB -0.040 30.319 30.300 0.098 0.000 1.140 57 R HN 0.755 nan 8.270 nan 0.000 0.528 58 E N 5.266 125.470 120.200 0.005 0.000 2.467 58 E HA 0.043 4.394 4.350 0.001 0.000 0.264 58 E C -1.831 174.772 176.600 0.006 0.000 1.020 58 E CA -1.182 55.208 56.400 -0.016 0.000 0.945 58 E CB 0.223 29.885 29.700 -0.063 0.000 0.942 58 E HN 0.546 nan 8.360 nan 0.000 0.449 59 P HA -0.005 nan 4.420 nan 0.000 0.271 59 P C -0.886 176.469 177.300 0.092 0.000 1.233 59 P CA -0.242 62.894 63.100 0.059 0.000 0.789 59 P CB 0.482 32.234 31.700 0.086 0.000 0.951 60 A N 1.766 124.646 122.820 0.101 0.000 2.498 60 A HA 0.019 4.340 4.320 0.001 0.000 0.239 60 A C 1.837 179.513 177.584 0.154 0.000 1.068 60 A CA -0.131 51.978 52.037 0.120 0.000 0.766 60 A CB -0.373 18.685 19.000 0.095 0.000 1.003 60 A HN 0.651 nan 8.150 nan 0.000 0.497 61 R N 0.974 121.559 120.500 0.143 0.000 2.094 61 R HA -0.177 4.164 4.340 0.001 0.000 0.239 61 R C 2.049 178.341 176.300 -0.013 0.000 1.137 61 R CA 2.145 58.238 56.100 -0.011 0.000 0.943 61 R CB -0.156 29.957 30.300 -0.312 0.000 0.850 61 R HN 0.832 nan 8.270 nan 0.000 0.433 62 K N -0.146 120.259 120.400 0.008 0.000 2.009 62 K HA -0.155 4.165 4.320 0.001 0.000 0.210 62 K C 1.945 178.586 176.600 0.068 0.000 1.049 62 K CA 1.610 57.907 56.287 0.016 0.000 0.929 62 K CB -0.244 32.273 32.500 0.027 0.000 0.714 62 K HN 0.271 nan 8.250 nan 0.000 0.440 63 A N 0.382 123.261 122.820 0.099 0.000 1.908 63 A HA -0.219 4.101 4.320 0.001 0.000 0.218 63 A C 2.120 179.813 177.584 0.181 0.000 1.181 63 A CA 1.624 53.731 52.037 0.116 0.000 0.627 63 A CB -0.922 18.137 19.000 0.099 0.000 0.818 63 A HN 0.558 nan 8.150 nan 0.000 0.445 64 Y N 0.452 120.822 120.300 0.117 0.000 2.114 64 Y HA -0.209 4.341 4.550 0.001 0.000 0.284 64 Y C 2.039 178.113 175.900 0.290 0.000 1.143 64 Y CA 1.961 60.191 58.100 0.216 0.000 1.135 64 Y CB -0.302 38.286 38.460 0.214 0.000 0.980 64 Y HN 0.260 nan 8.280 nan 0.000 0.499 65 I N 0.286 120.991 120.570 0.226 0.000 2.264 65 I HA -0.376 3.795 4.170 0.001 0.000 0.248 65 I C 2.396 178.497 176.117 -0.027 0.000 1.111 65 I CA 1.730 63.073 61.300 0.072 0.000 1.382 65 I CB -0.497 37.522 38.000 0.031 0.000 1.060 65 I HN 0.401 nan 8.210 nan 0.000 0.418 66 Q N -0.563 119.248 119.800 0.018 0.000 2.124 66 Q HA -0.265 4.075 4.340 0.001 0.000 0.202 66 Q C 2.019 178.006 176.000 -0.021 0.000 0.977 66 Q CA 2.071 57.874 55.803 -0.001 0.000 0.850 66 Q CB -0.297 28.462 28.738 0.035 0.000 0.901 66 Q HN 0.660 nan 8.270 nan 0.000 0.429 67 W N 1.659 122.860 121.300 -0.165 0.000 2.381 67 W HA -0.119 4.541 4.660 0.001 0.000 0.301 67 W C 1.973 178.343 176.519 -0.249 0.000 1.205 67 W CA 1.095 58.324 57.345 -0.194 0.000 1.285 67 W CB -0.000 29.327 29.460 -0.222 0.000 1.133 67 W HN -0.159 nan 8.180 nan 0.000 0.521 68 K N 0.260 120.287 120.400 -0.622 0.000 2.057 68 K HA -0.153 4.167 4.320 0.001 0.000 0.206 68 K C 1.228 177.505 176.600 -0.539 0.000 1.050 68 K CA 1.951 57.697 56.287 -0.902 0.000 0.935 68 K CB -0.089 32.075 32.500 -0.559 0.000 0.715 68 K HN 0.381 nan 8.250 nan 0.000 0.439 69 E N -1.270 118.743 120.200 -0.311 0.000 2.572 69 E HA 0.032 4.383 4.350 0.001 0.000 0.220 69 E C 0.374 176.881 176.600 -0.156 0.000 0.945 69 E CA -0.026 56.254 56.400 -0.201 0.000 1.070 69 E CB 0.823 30.455 29.700 -0.114 0.000 1.090 69 E HN 0.188 nan 8.360 nan 0.000 0.506 70 Q N 0.204 119.914 119.800 -0.151 0.000 2.141 70 Q HA 0.227 4.568 4.340 0.001 0.000 0.248 70 Q C 0.389 176.328 176.000 -0.101 0.000 0.834 70 Q CA 0.087 55.829 55.803 -0.101 0.000 1.096 70 Q CB 1.491 30.193 28.738 -0.061 0.000 1.189 70 Q HN 0.330 nan 8.270 nan 0.000 0.471 71 G N 0.526 109.231 108.800 -0.158 0.000 2.233 71 G HA2 -0.298 3.663 3.960 0.001 0.000 0.270 71 G HA3 -0.298 3.663 3.960 0.001 0.000 0.270 71 G C 0.459 175.320 174.900 -0.065 0.000 1.011 71 G CA 0.034 45.054 45.100 -0.134 0.000 0.762 71 G HN 0.515 nan 8.290 nan 0.000 0.511 72 G N 0.025 108.799 108.800 -0.043 0.000 2.634 72 G HA2 0.589 4.549 3.960 0.001 0.000 0.255 72 G HA3 0.589 4.549 3.960 0.001 0.000 0.255 72 G C -1.320 173.675 174.900 0.159 0.000 1.205 72 G CA -0.295 44.837 45.100 0.053 0.000 0.884 72 G HN 0.339 nan 8.290 nan 0.000 0.549 73 P HA 0.143 nan 4.420 nan 0.000 0.274 73 P C -0.319 177.090 177.300 0.181 0.000 1.231 73 P CA -0.717 62.481 63.100 0.163 0.000 0.790 73 P CB 1.184 32.932 31.700 0.081 0.000 0.951 74 L N 5.043 126.324 121.223 0.097 0.000 2.534 74 L HA 0.180 4.520 4.340 0.001 0.000 0.271 74 L C -2.001 174.764 176.870 -0.175 0.000 1.178 74 L CA -1.235 53.474 54.840 -0.218 0.000 0.907 74 L CB -1.108 40.858 42.059 -0.155 0.000 1.164 74 L HN 0.309 nan 8.230 nan 0.000 0.482 75 P HA 0.168 nan 4.420 nan 0.000 0.269 75 P C -2.538 174.710 177.300 -0.087 0.000 1.215 75 P CA -0.833 62.202 63.100 -0.109 0.000 0.780 75 P CB -0.284 31.363 31.700 -0.088 0.000 0.898 76 P HA 0.203 nan 4.420 nan 0.000 0.271 76 P C -0.419 176.873 177.300 -0.014 0.000 1.216 76 P CA -0.164 62.926 63.100 -0.016 0.000 0.771 76 P CB 0.395 32.098 31.700 0.006 0.000 0.864 77 R N 3.361 123.856 120.500 -0.009 0.000 2.242 77 R HA 0.345 4.686 4.340 0.001 0.000 0.334 77 R C -0.797 175.522 176.300 0.031 0.000 1.071 77 R CA 0.159 56.262 56.100 0.005 0.000 0.922 77 R CB -0.838 29.464 30.300 0.004 0.000 1.023 77 R HN 0.438 nan 8.270 nan 0.000 0.458 78 L N 2.977 124.228 121.223 0.046 0.000 2.342 78 L HA 0.785 5.125 4.340 0.001 0.000 0.271 78 L C -0.326 176.608 176.870 0.106 0.000 1.008 78 L CA -1.300 53.584 54.840 0.073 0.000 0.818 78 L CB 2.184 44.287 42.059 0.073 0.000 1.296 78 L HN 0.655 nan 8.230 nan 0.000 0.427 79 A N 1.738 124.640 122.820 0.136 0.000 2.343 79 A HA 0.601 4.921 4.320 0.001 0.000 0.316 79 A C -1.611 176.129 177.584 0.260 0.000 1.104 79 A CA -0.395 51.750 52.037 0.179 0.000 0.768 79 A CB 1.055 20.143 19.000 0.146 0.000 1.213 79 A HN 0.624 nan 8.150 nan 0.000 0.456 80 Y N 3.066 123.444 120.300 0.130 0.000 2.342 80 Y HA 0.618 5.169 4.550 0.001 0.000 0.334 80 Y C -0.834 175.160 175.900 0.157 0.000 1.067 80 Y CA -0.778 57.381 58.100 0.098 0.000 1.128 80 Y CB 0.975 39.466 38.460 0.053 0.000 1.200 80 Y HN 0.747 nan 8.280 nan 0.000 0.464 81 Y N 3.021 122.948 120.300 -0.623 0.000 2.576 81 Y HA 0.822 5.373 4.550 0.001 0.000 0.346 81 Y C -2.131 173.376 175.900 -0.655 0.000 1.018 81 Y CA -1.747 56.073 58.100 -0.467 0.000 1.050 81 Y CB 1.264 39.688 38.460 -0.060 0.000 1.280 81 Y HN 0.376 nan 8.280 nan 0.000 0.474 82 V N 4.925 124.708 119.914 -0.218 0.000 2.525 82 V HA 0.547 4.668 4.120 0.001 0.000 0.299 82 V C -0.290 175.783 176.094 -0.034 0.000 1.034 82 V CA -0.690 61.498 62.300 -0.188 0.000 0.863 82 V CB 1.312 33.083 31.823 -0.087 0.000 0.999 82 V HN 0.868 nan 8.190 nan 0.000 0.423 83 I N 2.689 123.199 120.570 -0.099 0.000 3.002 83 I HA 0.724 4.894 4.170 0.001 0.000 0.310 83 I C -1.454 174.518 176.117 -0.243 0.000 1.087 83 I CA -1.016 60.135 61.300 -0.248 0.000 1.017 83 I CB 2.465 40.181 38.000 -0.474 0.000 1.226 83 I HN 0.267 nan 8.210 nan 0.000 0.443 84 L N 1.975 123.045 121.223 -0.256 0.000 2.342 84 L HA 0.581 4.922 4.340 0.001 0.000 0.271 84 L C -0.615 176.117 176.870 -0.230 0.000 1.008 84 L CA -0.385 54.337 54.840 -0.197 0.000 0.818 84 L CB 1.940 43.920 42.059 -0.132 0.000 1.296 84 L HN 0.801 nan 8.230 nan 0.000 0.427 85 E N 1.380 121.469 120.200 -0.186 0.000 2.224 85 E HA 0.553 4.904 4.350 0.001 0.000 0.265 85 E C -0.660 175.878 176.600 -0.103 0.000 0.878 85 E CA -0.703 55.596 56.400 -0.169 0.000 0.759 85 E CB 2.095 31.687 29.700 -0.180 0.000 1.164 85 E HN 0.728 nan 8.360 nan 0.000 0.414 86 A N 3.015 125.786 122.820 -0.081 0.000 2.584 86 A HA 0.365 4.686 4.320 0.001 0.000 0.239 86 A C 1.304 178.864 177.584 -0.040 0.000 1.043 86 A CA 1.061 53.067 52.037 -0.052 0.000 0.756 86 A CB -0.574 18.403 19.000 -0.039 0.000 0.963 86 A HN 1.263 nan 8.150 nan 0.000 0.511 87 G N 1.546 110.327 108.800 -0.031 0.000 2.179 87 G HA2 -0.217 3.744 3.960 0.001 0.000 0.260 87 G HA3 -0.217 3.744 3.960 0.001 0.000 0.260 87 G C 0.282 175.169 174.900 -0.022 0.000 0.977 87 G CA 0.756 45.843 45.100 -0.021 0.000 0.641 87 G HN 0.759 nan 8.290 nan 0.000 0.533 88 K N 1.220 121.599 120.400 -0.034 0.000 2.164 88 K HA 0.540 4.860 4.320 0.001 0.000 0.258 88 K C -2.251 174.328 176.600 -0.036 0.000 0.951 88 K CA -1.737 54.529 56.287 -0.034 0.000 0.844 88 K CB 2.211 34.681 32.500 -0.051 0.000 1.099 88 K HN 0.198 nan 8.250 nan 0.000 0.435 89 P HA 0.235 nan 4.420 nan 0.000 0.282 89 P C 0.520 177.799 177.300 -0.035 0.000 1.249 89 P CA 0.125 63.213 63.100 -0.020 0.000 0.806 89 P CB 0.969 32.667 31.700 -0.003 0.000 0.984 90 G N 1.138 109.915 108.800 -0.038 0.000 2.531 90 G HA2 -0.091 3.870 3.960 0.001 0.000 0.274 90 G HA3 -0.091 3.870 3.960 0.001 0.000 0.274 90 G C -0.240 174.597 174.900 -0.104 0.000 1.159 90 G CA 0.549 45.611 45.100 -0.064 0.000 0.969 90 G HN 0.987 nan 8.290 nan 0.000 0.554 91 V N -3.890 115.940 119.914 -0.140 0.000 3.181 91 V HA 0.962 5.082 4.120 0.001 0.000 0.307 91 V C -0.620 175.378 176.094 -0.160 0.000 1.310 91 V CA -0.401 61.792 62.300 -0.177 0.000 1.067 91 V CB 1.906 33.571 31.823 -0.263 0.000 1.081 91 V HN 1.126 nan 8.190 nan 0.000 0.453 92 K N 0.713 121.009 120.400 -0.173 0.000 2.468 92 K HA 0.666 4.986 4.320 0.001 0.000 0.252 92 K C -1.325 175.171 176.600 -0.173 0.000 0.932 92 K CA -0.492 55.719 56.287 -0.126 0.000 0.794 92 K CB 2.465 34.882 32.500 -0.138 0.000 1.241 92 K HN 1.028 nan 8.250 nan 0.000 0.428 93 E N 0.877 120.947 120.200 -0.217 0.000 2.416 93 E HA 0.835 5.185 4.350 0.001 0.000 0.273 93 E C -0.412 175.817 176.600 -0.617 0.000 0.935 93 E CA -1.300 54.787 56.400 -0.522 0.000 0.784 93 E CB 2.323 31.891 29.700 -0.219 0.000 1.301 93 E HN 0.617 nan 8.360 nan 0.000 0.454 94 G N 0.143 108.284 108.800 -1.098 0.000 2.321 94 G HA2 0.402 4.363 3.960 0.001 0.000 0.296 94 G HA3 0.402 4.363 3.960 0.001 0.000 0.296 94 G C -1.814 172.870 174.900 -0.360 0.000 1.287 94 G CA -1.055 43.714 45.100 -0.553 0.000 0.846 94 G HN 0.407 nan 8.290 nan 0.000 0.508 95 L N -0.253 121.004 121.223 0.056 0.000 2.354 95 L HA 0.775 5.115 4.340 0.001 0.000 0.269 95 L C -0.381 176.621 176.870 0.221 0.000 1.005 95 L CA -1.234 53.715 54.840 0.182 0.000 0.819 95 L CB 2.234 44.373 42.059 0.133 0.000 1.311 95 L HN 0.342 nan 8.230 nan 0.000 0.423 96 V N 0.646 120.687 119.914 0.211 0.000 2.495 96 V HA 0.206 4.327 4.120 0.001 0.000 0.298 96 V C -0.779 175.367 176.094 0.088 0.000 1.031 96 V CA -0.468 61.906 62.300 0.124 0.000 0.871 96 V CB 1.997 33.880 31.823 0.100 0.000 0.988 96 V HN 0.746 nan 8.190 nan 0.000 0.432 97 D N 3.698 124.133 120.400 0.057 0.000 2.411 97 D HA 0.305 4.945 4.640 0.001 0.000 0.225 97 D C 1.049 177.371 176.300 0.036 0.000 1.156 97 D CA -0.218 53.809 54.000 0.045 0.000 0.874 97 D CB 0.886 41.707 40.800 0.035 0.000 1.034 97 D HN 0.438 nan 8.370 nan 0.000 0.502 98 L N 3.236 124.481 121.223 0.037 0.000 2.127 98 L HA -0.175 4.165 4.340 0.001 0.000 0.211 98 L C 2.384 179.266 176.870 0.019 0.000 1.089 98 L CA 1.320 56.176 54.840 0.027 0.000 0.757 98 L CB -0.373 41.704 42.059 0.029 0.000 0.899 98 L HN 0.553 nan 8.230 nan 0.000 0.434 99 A N -0.299 122.532 122.820 0.018 0.000 1.933 99 A HA -0.178 4.142 4.320 0.001 0.000 0.218 99 A C 2.337 179.930 177.584 0.014 0.000 1.175 99 A CA 1.941 53.986 52.037 0.014 0.000 0.628 99 A CB -0.436 18.571 19.000 0.012 0.000 0.814 99 A HN 0.506 nan 8.150 nan 0.000 0.444 100 S N -1.477 114.233 115.700 0.017 0.000 2.554 100 S HA 0.417 4.887 4.470 0.001 0.000 0.226 100 S C 0.449 175.060 174.600 0.019 0.000 0.980 100 S CA 0.045 58.256 58.200 0.018 0.000 0.939 100 S CB -0.536 62.675 63.200 0.020 0.000 0.832 100 S HN 0.542 nan 8.310 nan 0.000 0.486 101 L N 2.225 123.459 121.223 0.018 0.000 3.879 101 L HA -0.192 4.149 4.340 0.001 0.000 0.481 101 L C -0.118 176.765 176.870 0.021 0.000 1.232 101 L CA 0.568 55.418 54.840 0.017 0.000 0.736 101 L CB -2.130 39.937 42.059 0.013 0.000 1.511 101 L HN 0.712 nan 8.230 nan 0.000 0.830 102 S N -2.168 113.545 115.700 0.022 0.000 2.541 102 S HA 0.682 5.153 4.470 0.001 0.000 0.271 102 S C -0.376 174.225 174.600 0.001 0.000 1.133 102 S CA -1.101 57.112 58.200 0.022 0.000 0.876 102 S CB 2.330 65.549 63.200 0.031 0.000 1.105 102 S HN -0.034 nan 8.310 nan 0.000 0.470 103 V N 3.387 123.270 119.914 -0.052 0.000 2.446 103 V HA 0.157 4.277 4.120 0.001 0.000 0.276 103 V C 1.229 177.274 176.094 -0.081 0.000 1.030 103 V CA -0.042 62.174 62.300 -0.140 0.000 1.033 103 V CB -0.019 31.460 31.823 -0.574 0.000 0.993 103 V HN 0.898 nan 8.190 nan 0.000 0.477 104 I N 1.330 121.895 120.570 -0.010 0.000 3.956 104 I HA 0.538 4.708 4.170 0.001 0.000 0.333 104 I C 0.490 176.614 176.117 0.013 0.000 1.302 104 I CA 0.252 61.558 61.300 0.009 0.000 1.122 104 I CB 0.372 38.390 38.000 0.030 0.000 1.013 104 I HN 0.649 nan 8.210 nan 0.000 0.405 105 E N 0.681 120.884 120.200 0.004 0.000 2.451 105 E HA 0.386 4.736 4.350 0.001 0.000 0.295 105 E C -1.385 175.221 176.600 0.009 0.000 0.966 105 E CA -0.367 56.043 56.400 0.017 0.000 0.808 105 E CB 2.063 31.784 29.700 0.034 0.000 1.242 105 E HN 0.138 nan 8.360 nan 0.000 0.412 106 T N 2.859 117.426 114.554 0.021 0.000 2.885 106 T HA 0.700 5.051 4.350 0.001 0.000 0.322 106 T C -1.937 172.810 174.700 0.079 0.000 1.387 106 T CA -0.627 61.505 62.100 0.055 0.000 1.041 106 T CB 1.089 70.027 68.868 0.116 0.000 1.287 106 T HN 0.654 nan 8.240 nan 0.000 0.491 107 R N 1.530 122.072 120.500 0.070 0.000 2.690 107 R HA 0.818 5.159 4.340 0.001 0.000 0.269 107 R C -1.884 174.444 176.300 0.046 0.000 1.037 107 R CA -1.130 55.010 56.100 0.067 0.000 0.877 107 R CB 1.007 31.333 30.300 0.044 0.000 1.255 107 R HN 0.725 nan 8.270 nan 0.000 0.467 108 A N 2.220 125.066 122.820 0.044 0.000 2.304 108 A HA 0.654 4.974 4.320 0.001 0.000 0.323 108 A C -1.211 176.370 177.584 -0.004 0.000 1.195 108 A CA -0.764 51.280 52.037 0.012 0.000 0.826 108 A CB 1.096 20.114 19.000 0.029 0.000 1.184 108 A HN 0.391 nan 8.150 nan 0.000 0.496 109 L N 2.875 124.075 121.223 -0.038 0.000 2.356 109 L HA 0.355 4.695 4.340 0.001 0.000 0.264 109 L C 0.922 177.764 176.870 -0.046 0.000 1.029 109 L CA 0.226 55.044 54.840 -0.038 0.000 0.897 109 L CB 0.479 42.501 42.059 -0.062 0.000 1.256 109 L HN 0.904 nan 8.230 nan 0.000 0.444 110 E N 0.445 120.633 120.200 -0.019 0.000 2.427 110 E HA -0.046 4.305 4.350 0.001 0.000 0.196 110 E C 0.474 177.075 176.600 0.001 0.000 1.028 110 E CA 0.930 57.322 56.400 -0.013 0.000 0.864 110 E CB 0.357 30.057 29.700 0.001 0.000 0.813 110 E HN 0.635 nan 8.360 nan 0.000 0.514 111 T N -1.576 112.985 114.554 0.010 0.000 3.308 111 T HA 0.425 4.776 4.350 0.001 0.000 0.270 111 T C -0.185 174.543 174.700 0.048 0.000 0.992 111 T CA -0.441 61.681 62.100 0.037 0.000 0.931 111 T CB 0.277 69.174 68.868 0.050 0.000 1.142 111 T HN -0.165 nan 8.240 nan 0.000 0.525 112 V N 0.715 120.639 119.914 0.016 0.000 3.078 112 V HA 0.649 4.770 4.120 0.001 0.000 0.311 112 V C -1.661 174.430 176.094 -0.005 0.000 1.138 112 V CA -0.761 61.551 62.300 0.019 0.000 1.007 112 V CB 2.507 34.317 31.823 -0.021 0.000 1.045 112 V HN 0.404 nan 8.190 nan 0.000 0.432 113 Q N 3.780 123.602 119.800 0.037 0.000 2.347 113 Q HA 0.538 4.879 4.340 0.001 0.000 0.271 113 Q C -2.723 173.312 176.000 0.058 0.000 1.064 113 Q CA -1.755 54.063 55.803 0.025 0.000 0.800 113 Q CB 2.720 31.495 28.738 0.061 0.000 1.304 113 Q HN 0.485 nan 8.270 nan 0.000 0.438 114 P HA 0.327 nan 4.420 nan 0.000 0.287 114 P C 0.034 177.403 177.300 0.115 0.000 1.296 114 P CA -0.781 62.404 63.100 0.142 0.000 0.811 114 P CB 1.254 33.005 31.700 0.085 0.000 1.211 115 I N 0.147 120.807 120.570 0.151 0.000 2.845 115 I HA -0.092 4.079 4.170 0.001 0.000 0.296 115 I C 0.044 176.239 176.117 0.130 0.000 1.216 115 I CA 0.035 61.403 61.300 0.113 0.000 1.438 115 I CB 0.001 38.121 38.000 0.199 0.000 1.342 115 I HN 0.118 nan 8.210 nan 0.000 0.577 116 L N 7.961 129.249 121.223 0.110 0.000 2.295 116 L HA 0.183 4.524 4.340 0.001 0.000 0.288 116 L C 0.788 177.754 176.870 0.160 0.000 1.079 116 L CA -0.385 54.543 54.840 0.148 0.000 0.830 116 L CB 0.519 42.704 42.059 0.211 0.000 1.200 116 L HN 0.679 nan 8.230 nan 0.000 0.438 117 T N -0.682 113.895 114.554 0.038 0.000 2.748 117 T HA 0.060 4.411 4.350 0.001 0.000 0.304 117 T C 1.425 176.058 174.700 -0.111 0.000 1.041 117 T CA -0.187 61.802 62.100 -0.185 0.000 1.033 117 T CB 1.343 70.038 68.868 -0.289 0.000 0.995 117 T HN 0.369 nan 8.240 nan 0.000 0.536 118 V N -0.537 119.266 119.914 -0.184 0.000 2.913 118 V HA 0.003 4.123 4.120 0.001 0.000 0.260 118 V C 2.128 178.202 176.094 -0.032 0.000 1.098 118 V CA 1.660 63.923 62.300 -0.062 0.000 1.121 118 V CB -1.123 30.679 31.823 -0.035 0.000 0.714 118 V HN 0.944 nan 8.190 nan 0.000 0.487 119 E N 1.176 121.342 120.200 -0.057 0.000 2.076 119 E HA -0.154 4.196 4.350 0.001 0.000 0.190 119 E C 1.762 178.362 176.600 -0.001 0.000 0.979 119 E CA 1.559 57.947 56.400 -0.021 0.000 0.807 119 E CB -0.090 29.596 29.700 -0.024 0.000 0.761 119 E HN 0.926 nan 8.360 nan 0.000 0.454 120 D N 0.053 120.453 120.400 0.001 0.000 2.347 120 D HA -0.085 4.555 4.640 0.001 0.000 0.215 120 D C 1.614 177.939 176.300 0.042 0.000 0.976 120 D CA 0.496 54.509 54.000 0.021 0.000 0.884 120 D CB -0.027 40.789 40.800 0.027 0.000 0.915 120 D HN 0.156 nan 8.370 nan 0.000 0.526 121 L N -0.291 120.959 121.223 0.046 0.000 2.354 121 L HA 0.060 4.401 4.340 0.001 0.000 0.212 121 L C 1.622 178.526 176.870 0.057 0.000 1.091 121 L CA 0.248 55.128 54.840 0.066 0.000 0.828 121 L CB 0.059 42.157 42.059 0.065 0.000 0.973 121 L HN 0.161 nan 8.230 nan 0.000 0.461 122 C N -0.425 118.900 119.300 0.042 0.000 2.448 122 C HA -0.082 4.378 4.460 0.001 0.000 0.280 122 C C 3.028 178.042 174.990 0.041 0.000 1.398 122 C CA 1.089 60.133 59.018 0.044 0.000 1.774 122 C CB -0.707 27.054 27.740 0.036 0.000 1.888 122 C HN 0.632 nan 8.230 nan 0.000 0.519 123 S N 0.052 115.772 115.700 0.034 0.000 2.436 123 S HA -0.129 4.342 4.470 0.001 0.000 0.228 123 S C 1.540 176.158 174.600 0.031 0.000 1.014 123 S CA 1.613 59.829 58.200 0.027 0.000 0.950 123 S CB -0.898 62.314 63.200 0.020 0.000 0.784 123 S HN 0.604 nan 8.310 nan 0.000 0.504 124 T N 2.541 117.121 114.554 0.043 0.000 2.653 124 T HA -0.218 4.133 4.350 0.001 0.000 0.268 124 T C 1.670 176.399 174.700 0.048 0.000 1.035 124 T CA 1.955 64.084 62.100 0.049 0.000 1.154 124 T CB -0.487 68.423 68.868 0.071 0.000 0.862 124 T HN 0.653 nan 8.240 nan 0.000 0.441 125 E N 0.236 120.467 120.200 0.052 0.000 2.085 125 E HA -0.201 4.150 4.350 0.001 0.000 0.194 125 E C 2.270 178.876 176.600 0.010 0.000 0.994 125 E CA 1.149 57.573 56.400 0.040 0.000 0.801 125 E CB -0.012 29.713 29.700 0.041 0.000 0.743 125 E HN 0.277 nan 8.360 nan 0.000 0.453 126 E N -0.231 119.972 120.200 0.006 0.000 2.152 126 E HA -0.128 4.223 4.350 0.001 0.000 0.192 126 E C 2.025 178.629 176.600 0.005 0.000 0.983 126 E CA 0.974 57.372 56.400 -0.003 0.000 0.818 126 E CB -0.070 29.630 29.700 -0.001 0.000 0.758 126 E HN 0.302 nan 8.360 nan 0.000 0.467 127 V N 0.535 120.457 119.914 0.013 0.000 2.358 127 V HA -0.180 3.940 4.120 0.001 0.000 0.246 127 V C 2.164 178.270 176.094 0.019 0.000 1.047 127 V CA 1.772 64.080 62.300 0.013 0.000 1.035 127 V CB -0.686 31.145 31.823 0.013 0.000 0.658 127 V HN 0.422 nan 8.190 nan 0.000 0.452 128 I N -1.428 119.161 120.570 0.031 0.000 2.546 128 I HA -0.053 4.118 4.170 0.001 0.000 0.255 128 I C 2.658 178.802 176.117 0.046 0.000 1.163 128 I CA 1.471 62.799 61.300 0.048 0.000 1.457 128 I CB -0.614 37.431 38.000 0.075 0.000 1.092 128 I HN 0.132 nan 8.210 nan 0.000 0.434 129 R N 1.097 121.614 120.500 0.027 0.000 2.115 129 R HA 0.008 4.349 4.340 0.001 0.000 0.226 129 R C 1.350 177.659 176.300 0.016 0.000 1.100 129 R CA 1.203 57.314 56.100 0.018 0.000 0.980 129 R CB -0.170 30.123 30.300 -0.011 0.000 0.875 129 R HN 0.506 nan 8.270 nan 0.000 0.445 130 N N 0.549 119.255 118.700 0.011 0.000 2.280 130 N HA -0.060 4.680 4.740 0.001 0.000 0.192 130 N C -0.437 175.074 175.510 0.002 0.000 1.109 130 N CA 0.253 53.306 53.050 0.006 0.000 0.855 130 N CB 0.318 38.806 38.487 0.002 0.000 0.974 130 N HN 0.228 nan 8.380 nan 0.000 0.482 131 D N 1.584 121.987 120.400 0.005 0.000 2.312 131 D HA 0.101 4.742 4.640 0.001 0.000 0.252 131 D C -1.723 174.567 176.300 -0.017 0.000 1.150 131 D CA -1.772 52.225 54.000 -0.005 0.000 0.870 131 D CB 2.312 43.112 40.800 -0.001 0.000 1.153 131 D HN -0.054 nan 8.370 nan 0.000 0.457 132 P HA -0.116 nan 4.420 nan 0.000 0.216 132 P C 0.937 178.201 177.300 -0.060 0.000 1.150 132 P CA 1.210 64.288 63.100 -0.036 0.000 0.837 132 P CB 0.211 31.891 31.700 -0.033 0.000 0.786 133 A N -0.643 122.134 122.820 -0.071 0.000 1.873 133 A HA -0.136 4.184 4.320 0.001 0.000 0.215 133 A C 2.345 179.837 177.584 -0.152 0.000 1.186 133 A CA 1.717 53.687 52.037 -0.112 0.000 0.616 133 A CB -1.660 17.273 19.000 -0.113 0.000 0.823 133 A HN 0.016 nan 8.150 nan 0.000 0.442 134 V N 0.278 120.130 119.914 -0.102 0.000 2.295 134 V HA -0.286 3.835 4.120 0.001 0.000 0.246 134 V C 2.433 178.462 176.094 -0.109 0.000 1.049 134 V CA 2.124 64.366 62.300 -0.098 0.000 1.024 134 V CB -0.747 31.105 31.823 0.048 0.000 0.648 134 V HN 0.572 nan 8.190 nan 0.000 0.447 135 I N -0.032 120.507 120.570 -0.052 0.000 2.208 135 I HA -0.301 3.869 4.170 0.001 0.000 0.245 135 I C 2.595 178.669 176.117 -0.072 0.000 1.097 135 I CA 2.047 63.328 61.300 -0.032 0.000 1.363 135 I CB -0.382 37.608 38.000 -0.017 0.000 1.051 135 I HN 0.411 nan 8.210 nan 0.000 0.413 136 E N 0.379 120.514 120.200 -0.110 0.000 2.110 136 E HA -0.255 4.095 4.350 0.001 0.000 0.193 136 E C 2.176 178.668 176.600 -0.181 0.000 0.988 136 E CA 1.016 57.342 56.400 -0.123 0.000 0.804 136 E CB 0.146 29.772 29.700 -0.123 0.000 0.745 136 E HN 0.421 nan 8.360 nan 0.000 0.458 137 Q N -0.107 119.500 119.800 -0.321 0.000 2.119 137 Q HA -0.110 4.230 4.340 0.001 0.000 0.201 137 Q C 2.339 178.156 176.000 -0.305 0.000 0.972 137 Q CA 1.002 56.483 55.803 -0.536 0.000 0.847 137 Q CB -0.575 27.367 28.738 -1.326 0.000 0.903 137 Q HN 0.428 nan 8.270 nan 0.000 0.433 138 C N -0.327 118.892 119.300 -0.134 0.000 2.446 138 C HA -0.051 4.410 4.460 0.001 0.000 0.277 138 C C 2.834 177.828 174.990 0.007 0.000 1.275 138 C CA 0.375 59.431 59.018 0.063 0.000 1.727 138 C CB -0.950 26.853 27.740 0.106 0.000 2.010 138 C HN 0.244 nan 8.230 nan 0.000 0.486 139 V N 0.787 120.683 119.914 -0.029 0.000 2.287 139 V HA -0.208 3.912 4.120 0.001 0.000 0.248 139 V C 2.443 178.517 176.094 -0.035 0.000 1.053 139 V CA 1.631 63.914 62.300 -0.028 0.000 1.027 139 V CB -0.724 31.079 31.823 -0.034 0.000 0.646 139 V HN 0.388 nan 8.190 nan 0.000 0.447 140 L N 0.313 121.502 121.223 -0.056 0.000 2.079 140 L HA -0.126 4.215 4.340 0.001 0.000 0.210 140 L C 2.413 179.269 176.870 -0.022 0.000 1.081 140 L CA 1.950 56.761 54.840 -0.050 0.000 0.752 140 L CB -1.189 40.820 42.059 -0.083 0.000 0.896 140 L HN 0.339 nan 8.230 nan 0.000 0.433 141 S N -0.780 114.922 115.700 0.002 0.000 2.607 141 S HA 0.232 4.702 4.470 0.001 0.000 0.224 141 S C 1.409 175.999 174.600 -0.016 0.000 0.969 141 S CA 0.682 58.901 58.200 0.032 0.000 0.927 141 S CB -0.047 63.229 63.200 0.126 0.000 0.772 141 S HN 0.654 nan 8.310 nan 0.000 0.533 142 G N 1.166 109.947 108.800 -0.031 0.000 2.138 142 G HA2 -0.188 3.772 3.960 0.001 0.000 0.193 142 G HA3 -0.188 3.772 3.960 0.001 0.000 0.193 142 G C -0.125 174.724 174.900 -0.085 0.000 0.998 142 G CA -0.498 44.569 45.100 -0.056 0.000 0.668 142 G HN 0.480 nan 8.290 nan 0.000 0.516 143 I N 1.650 122.181 120.570 -0.064 0.000 2.382 143 I HA 0.317 4.488 4.170 0.001 0.000 0.285 143 I C -2.208 173.910 176.117 0.001 0.000 1.007 143 I CA -2.494 58.773 61.300 -0.056 0.000 1.142 143 I CB 2.022 39.991 38.000 -0.050 0.000 1.289 143 I HN -0.184 nan 8.210 nan 0.000 0.453 144 P HA -0.065 nan 4.420 nan 0.000 0.264 144 P C 0.645 177.967 177.300 0.036 0.000 1.179 144 P CA 0.155 63.269 63.100 0.024 0.000 0.763 144 P CB 0.830 32.550 31.700 0.035 0.000 0.806 145 A N 3.821 126.656 122.820 0.026 0.000 2.076 145 A HA -0.207 4.113 4.320 0.001 0.000 0.220 145 A C 1.515 179.126 177.584 0.046 0.000 1.160 145 A CA 1.756 53.810 52.037 0.028 0.000 0.653 145 A CB -1.260 17.747 19.000 0.012 0.000 0.801 145 A HN 0.799 nan 8.150 nan 0.000 0.455 146 N N -1.442 117.292 118.700 0.057 0.000 2.322 146 N HA 0.045 4.786 4.740 0.001 0.000 0.194 146 N C 0.451 176.046 175.510 0.143 0.000 1.126 146 N CA 0.297 53.395 53.050 0.079 0.000 0.845 146 N CB 0.108 38.632 38.487 0.062 0.000 0.976 146 N HN 0.519 nan 8.380 nan 0.000 0.475 147 E N 0.024 120.299 120.200 0.126 0.000 2.734 147 E HA 0.211 4.562 4.350 0.001 0.000 0.211 147 E C 0.773 177.384 176.600 0.018 0.000 0.991 147 E CA -0.315 56.154 56.400 0.114 0.000 1.065 147 E CB 0.374 30.126 29.700 0.088 0.000 1.047 147 E HN 0.288 nan 8.360 nan 0.000 0.470 148 M N 0.692 120.339 119.600 0.078 0.000 2.539 148 M HA -0.120 4.360 4.480 0.001 0.000 0.261 148 M C 1.776 178.065 176.300 -0.019 0.000 1.069 148 M CA 1.270 56.595 55.300 0.042 0.000 1.081 148 M CB -0.936 31.695 32.600 0.051 0.000 1.412 148 M HN 0.366 nan 8.290 nan 0.000 0.482 149 H N -1.091 117.958 119.070 -0.036 0.000 2.555 149 H HA 0.079 4.635 4.556 0.001 0.000 0.269 149 H C 0.945 176.182 175.328 -0.153 0.000 0.988 149 H CA 0.585 56.566 56.048 -0.112 0.000 1.178 149 H CB -0.209 29.512 29.762 -0.069 0.000 1.373 149 H HN 0.352 nan 8.280 nan 0.000 0.588 150 K N 0.871 120.951 120.400 -0.533 0.000 2.353 150 K HA 0.212 4.533 4.320 0.001 0.000 0.195 150 K C -0.018 176.565 176.600 -0.028 0.000 1.031 150 K CA -0.079 56.005 56.287 -0.338 0.000 1.079 150 K CB 1.345 33.604 32.500 -0.403 0.000 0.857 150 K HN -0.002 nan 8.250 nan 0.000 0.535 151 V N 2.208 122.102 119.914 -0.033 0.000 2.407 151 V HA 0.220 4.340 4.120 0.001 0.000 0.278 151 V C -0.707 175.373 176.094 -0.023 0.000 1.037 151 V CA -0.458 61.919 62.300 0.129 0.000 0.900 151 V CB 0.329 32.226 31.823 0.124 0.000 0.983 151 V HN 0.039 nan 8.190 nan 0.000 0.459 152 Y N 2.921 123.258 120.300 0.061 0.000 2.662 152 Y HA 0.808 5.358 4.550 0.001 0.000 0.335 152 Y C 0.229 176.188 175.900 0.099 0.000 1.066 152 Y CA -1.074 57.063 58.100 0.062 0.000 1.116 152 Y CB 1.988 40.466 38.460 0.031 0.000 1.308 152 Y HN 0.838 nan 8.280 nan 0.000 0.502 153 C N -0.882 118.594 119.300 0.294 0.000 3.181 153 C HA 0.593 5.053 4.460 0.001 0.000 0.362 153 C C -1.858 173.295 174.990 0.272 0.000 1.125 153 C CA -0.955 58.209 59.018 0.242 0.000 1.265 153 C CB 1.177 28.993 27.740 0.127 0.000 1.632 153 C HN 0.757 nan 8.230 nan 0.000 0.525 154 D N 4.728 125.337 120.400 0.347 0.000 2.274 154 D HA 0.536 5.177 4.640 0.001 0.000 0.239 154 D C -2.292 174.260 176.300 0.420 0.000 1.104 154 D CA -1.069 53.170 54.000 0.399 0.000 0.840 154 D CB 1.923 43.076 40.800 0.589 0.000 1.100 154 D HN 0.580 nan 8.370 nan 0.000 0.477 155 P HA 0.238 nan 4.420 nan 0.000 0.287 155 P C -0.839 176.711 177.300 0.417 0.000 1.294 155 P CA -0.515 62.766 63.100 0.302 0.000 0.776 155 P CB 0.493 32.301 31.700 0.179 0.000 0.889 156 W N 1.319 122.687 121.300 0.115 0.000 2.762 156 W HA 0.390 5.051 4.660 0.001 0.000 0.355 156 W C 0.383 177.020 176.519 0.197 0.000 1.124 156 W CA -0.317 57.147 57.345 0.199 0.000 1.141 156 W CB 0.421 29.969 29.460 0.146 0.000 1.432 156 W HN 0.146 nan 8.180 nan 0.000 0.586 157 T N 1.334 116.176 114.554 0.479 0.000 2.860 157 T HA 0.059 4.409 4.350 0.001 0.000 0.299 157 T C 1.015 175.839 174.700 0.206 0.000 1.045 157 T CA -0.495 61.740 62.100 0.224 0.000 1.071 157 T CB 0.806 69.714 68.868 0.066 0.000 0.985 157 T HN 0.473 nan 8.240 nan 0.000 0.537 158 I N 0.603 121.241 120.570 0.113 0.000 3.001 158 I HA 0.094 4.264 4.170 0.001 0.000 0.268 158 I C 1.670 177.824 176.117 0.061 0.000 1.267 158 I CA 1.441 62.784 61.300 0.071 0.000 1.472 158 I CB -0.841 37.180 38.000 0.035 0.000 1.089 158 I HN 1.059 nan 8.210 nan 0.000 0.468 159 G N 0.497 109.336 108.800 0.065 0.000 5.356 159 G HA2 -0.378 3.582 3.960 0.001 0.000 0.309 159 G HA3 -0.378 3.582 3.960 0.001 0.000 0.309 159 G C 0.008 175.007 174.900 0.164 0.000 1.451 159 G CA 0.477 45.574 45.100 -0.006 0.000 0.978 159 G HN 0.466 nan 8.290 nan 0.000 0.771 160 Y N 1.755 122.084 120.300 0.048 0.000 2.376 160 Y HA 0.560 5.110 4.550 0.001 0.000 0.321 160 Y C -2.219 173.732 175.900 0.086 0.000 1.189 160 Y CA -0.547 57.605 58.100 0.086 0.000 1.069 160 Y CB 2.017 40.530 38.460 0.088 0.000 1.292 160 Y HN 0.478 nan 8.280 nan 0.000 0.430 161 D N 5.513 125.501 120.400 -0.687 0.000 2.575 161 D HA 0.127 4.767 4.640 0.001 0.000 0.250 161 D C 0.567 176.450 176.300 -0.696 0.000 1.279 161 D CA -0.246 53.498 54.000 -0.427 0.000 0.925 161 D CB 1.454 42.264 40.800 0.016 0.000 1.261 161 D HN 0.831 nan 8.370 nan 0.000 0.567 162 E N 3.657 123.497 120.200 -0.600 0.000 2.396 162 E HA -0.191 4.160 4.350 0.001 0.000 0.200 162 E C 0.798 177.181 176.600 -0.362 0.000 1.023 162 E CA 0.661 56.829 56.400 -0.386 0.000 0.857 162 E CB -0.031 29.606 29.700 -0.107 0.000 0.775 162 E HN 0.482 nan 8.360 nan 0.000 0.525 163 R N -0.796 119.391 120.500 -0.522 0.000 2.236 163 R HA 0.033 4.373 4.340 0.001 0.000 0.208 163 R C 1.276 176.981 176.300 -0.992 0.000 1.036 163 R CA 1.139 56.713 56.100 -0.878 0.000 1.001 163 R CB 0.051 29.478 30.300 -1.455 0.000 0.896 163 R HN 0.333 nan 8.270 nan 0.000 0.464 164 W N -0.630 120.561 121.300 -0.182 0.000 2.661 164 W HA 0.311 4.971 4.660 0.001 0.000 0.288 164 W C 1.034 177.498 176.519 -0.091 0.000 1.014 164 W CA 0.433 57.706 57.345 -0.121 0.000 1.396 164 W CB -0.080 29.316 29.460 -0.106 0.000 0.963 164 W HN 0.202 nan 8.180 nan 0.000 0.584 165 G N 2.130 110.936 108.800 0.011 0.000 2.634 165 G HA2 -0.419 3.541 3.960 0.001 0.000 0.309 165 G HA3 -0.419 3.541 3.960 0.001 0.000 0.309 165 G C 0.758 175.762 174.900 0.173 0.000 1.265 165 G CA 2.230 47.396 45.100 0.110 0.000 0.998 165 G HN 0.143 nan 8.290 nan 0.000 0.551 166 T N -1.809 112.853 114.554 0.180 0.000 3.134 166 T HA 0.502 4.853 4.350 0.001 0.000 0.260 166 T C 2.006 176.771 174.700 0.108 0.000 1.027 166 T CA 1.074 63.264 62.100 0.150 0.000 0.913 166 T CB 0.749 69.708 68.868 0.152 0.000 1.046 166 T HN 1.540 nan 8.240 nan 0.000 0.553 167 G N 1.512 110.382 108.800 0.118 0.000 2.509 167 G HA2 0.077 4.037 3.960 0.001 0.000 0.218 167 G HA3 0.077 4.037 3.960 0.001 0.000 0.218 167 G C 0.367 175.313 174.900 0.078 0.000 1.124 167 G CA 0.093 45.252 45.100 0.098 0.000 0.776 167 G HN 0.490 nan 8.290 nan 0.000 0.547 168 K N -0.741 119.702 120.400 0.072 0.000 2.498 168 K HA 0.353 4.674 4.320 0.001 0.000 0.254 168 K C -0.951 175.648 176.600 -0.001 0.000 0.933 168 K CA -0.895 55.400 56.287 0.012 0.000 0.806 168 K CB 2.396 34.868 32.500 -0.046 0.000 1.301 168 K HN -0.014 nan 8.250 nan 0.000 0.432 169 R N 3.348 123.839 120.500 -0.015 0.000 2.248 169 R HA 0.205 4.546 4.340 0.001 0.000 0.337 169 R C -0.923 175.357 176.300 -0.033 0.000 1.085 169 R CA -0.352 55.744 56.100 -0.007 0.000 0.934 169 R CB 0.181 30.478 30.300 -0.005 0.000 1.034 169 R HN 0.278 nan 8.270 nan 0.000 0.465 170 L N 2.866 124.069 121.223 -0.033 0.000 2.313 170 L HA 0.517 4.858 4.340 0.001 0.000 0.268 170 L C -0.155 176.712 176.870 -0.005 0.000 1.010 170 L CA -0.678 54.120 54.840 -0.070 0.000 0.814 170 L CB 1.814 43.784 42.059 -0.148 0.000 1.304 170 L HN 0.667 nan 8.230 nan 0.000 0.441 171 Q N 0.394 120.191 119.800 -0.004 0.000 2.421 171 Q HA 0.568 4.909 4.340 0.001 0.000 0.280 171 Q C -1.435 174.592 176.000 0.044 0.000 1.085 171 Q CA -0.793 55.050 55.803 0.067 0.000 0.807 171 Q CB 3.333 32.126 28.738 0.091 0.000 1.405 171 Q HN 0.620 nan 8.270 nan 0.000 0.419 172 Q N 0.094 119.947 119.800 0.088 0.000 2.353 172 Q HA 0.831 5.172 4.340 0.001 0.000 0.268 172 Q C -1.546 174.480 176.000 0.043 0.000 1.045 172 Q CA -1.019 54.801 55.803 0.028 0.000 0.811 172 Q CB 2.042 30.764 28.738 -0.027 0.000 1.305 172 Q HN 0.526 nan 8.270 nan 0.000 0.447 173 A N 4.543 127.369 122.820 0.010 0.000 2.258 173 A HA 0.478 4.799 4.320 0.001 0.000 0.316 173 A C -0.411 177.122 177.584 -0.086 0.000 1.279 173 A CA -0.835 51.214 52.037 0.020 0.000 0.876 173 A CB 0.517 19.547 19.000 0.050 0.000 1.170 173 A HN 0.816 nan 8.150 nan 0.000 0.520 174 L N 4.063 125.222 121.223 -0.107 0.000 2.295 174 L HA 0.228 4.568 4.340 0.001 0.000 0.288 174 L C -0.352 176.372 176.870 -0.243 0.000 1.079 174 L CA -0.485 54.219 54.840 -0.227 0.000 0.830 174 L CB 0.705 42.647 42.059 -0.195 0.000 1.200 174 L HN 0.416 nan 8.230 nan 0.000 0.438 175 V N 4.344 124.000 119.914 -0.429 0.000 2.583 175 V HA 0.262 4.383 4.120 0.001 0.000 0.287 175 V C -0.311 175.407 176.094 -0.627 0.000 1.051 175 V CA -0.143 61.913 62.300 -0.406 0.000 1.010 175 V CB 0.791 32.299 31.823 -0.525 0.000 0.988 175 V HN 0.428 nan 8.190 nan 0.000 0.478 176 Y N 2.827 123.130 120.300 0.005 0.000 2.665 176 Y HA 0.661 5.212 4.550 0.001 0.000 0.336 176 Y C -0.750 175.273 175.900 0.205 0.000 1.085 176 Y CA -1.065 57.066 58.100 0.051 0.000 1.096 176 Y CB 1.974 40.392 38.460 -0.069 0.000 1.301 176 Y HN 0.584 nan 8.280 nan 0.000 0.493 177 Y N 0.948 121.421 120.300 0.287 0.000 2.433 177 Y HA 0.634 5.185 4.550 0.001 0.000 0.337 177 Y C -1.397 174.656 175.900 0.255 0.000 1.026 177 Y CA -1.166 57.081 58.100 0.245 0.000 1.037 177 Y CB 1.310 39.884 38.460 0.190 0.000 1.245 177 Y HN 0.542 nan 8.280 nan 0.000 0.443 178 R N 3.418 123.558 120.500 -0.601 0.000 2.387 178 R HA 0.336 4.677 4.340 0.001 0.000 0.314 178 R C 0.369 176.022 176.300 -1.079 0.000 0.958 178 R CA -0.168 55.476 56.100 -0.760 0.000 0.846 178 R CB 1.696 31.617 30.300 -0.630 0.000 1.147 178 R HN 0.875 nan 8.270 nan 0.000 0.447 179 S N 0.206 115.317 115.700 -0.983 0.000 2.527 179 S HA -0.044 4.427 4.470 0.001 0.000 0.222 179 S C 0.253 174.640 174.600 -0.355 0.000 0.985 179 S CA 0.184 58.063 58.200 -0.535 0.000 0.921 179 S CB -0.092 62.992 63.200 -0.194 0.000 0.772 179 S HN 0.726 nan 8.310 nan 0.000 0.529 180 D N 0.288 120.441 120.400 -0.412 0.000 2.927 180 D HA 0.172 4.813 4.640 0.001 0.000 0.219 180 D C 0.669 176.817 176.300 -0.252 0.000 1.248 180 D CA -0.555 53.301 54.000 -0.241 0.000 0.861 180 D CB 1.227 41.917 40.800 -0.183 0.000 1.677 180 D HN 0.083 nan 8.370 nan 0.000 0.511 181 E N 1.721 121.841 120.200 -0.133 0.000 2.273 181 E HA -0.259 4.092 4.350 0.001 0.000 0.198 181 E C 0.203 176.690 176.600 -0.188 0.000 1.002 181 E CA 1.116 57.448 56.400 -0.112 0.000 0.828 181 E CB -0.018 29.678 29.700 -0.006 0.000 0.747 181 E HN 0.385 nan 8.360 nan 0.000 0.491 182 D N 1.030 121.320 120.400 -0.184 0.000 2.340 182 D HA 0.047 4.687 4.640 0.001 0.000 0.220 182 D C -0.309 175.872 176.300 -0.198 0.000 1.039 182 D CA 0.208 54.094 54.000 -0.191 0.000 0.866 182 D CB -0.069 40.632 40.800 -0.164 0.000 0.913 182 D HN 0.154 nan 8.370 nan 0.000 0.523 183 D N -0.227 119.990 120.400 -0.306 0.000 2.360 183 D HA 0.043 4.683 4.640 0.001 0.000 0.242 183 D C 0.081 176.186 176.300 -0.325 0.000 1.184 183 D CA 0.162 53.922 54.000 -0.401 0.000 0.930 183 D CB 0.866 41.287 40.800 -0.632 0.000 1.161 183 D HN -0.226 nan 8.370 nan 0.000 0.447 184 S N 0.114 115.660 115.700 -0.256 0.000 2.420 184 S HA 0.056 4.527 4.470 0.001 0.000 0.313 184 S C 1.124 175.729 174.600 0.009 0.000 1.079 184 S CA -0.674 57.465 58.200 -0.102 0.000 1.104 184 S CB 0.491 63.669 63.200 -0.037 0.000 0.969 184 S HN 0.379 nan 8.310 nan 0.000 0.471 185 Q N 4.098 123.783 119.800 -0.193 0.000 2.291 185 Q HA -0.167 4.173 4.340 0.001 0.000 0.206 185 Q C 0.371 176.274 176.000 -0.161 0.000 0.976 185 Q CA 1.582 57.270 55.803 -0.192 0.000 0.875 185 Q CB -0.614 27.841 28.738 -0.471 0.000 0.927 185 Q HN 0.895 nan 8.270 nan 0.000 0.450 186 Y N 2.073 122.328 120.300 -0.075 0.000 2.651 186 Y HA -0.101 4.449 4.550 0.001 0.000 0.296 186 Y C 2.386 178.453 175.900 0.280 0.000 1.150 186 Y CA 1.183 59.264 58.100 -0.030 0.000 1.348 186 Y CB -0.030 38.425 38.460 -0.009 0.000 0.983 186 Y HN 0.345 nan 8.280 nan 0.000 0.555 187 S N -2.136 113.781 115.700 0.362 0.000 2.524 187 S HA 0.010 4.481 4.470 0.001 0.000 0.216 187 S C 0.147 174.716 174.600 -0.052 0.000 0.987 187 S CA 0.123 58.475 58.200 0.253 0.000 0.909 187 S CB -0.303 62.959 63.200 0.104 0.000 0.781 187 S HN 0.443 nan 8.310 nan 0.000 0.521 188 H N 2.395 121.514 119.070 0.082 0.000 2.386 188 H HA 0.448 5.004 4.556 0.001 0.000 0.232 188 H C -2.824 172.635 175.328 0.219 0.000 1.416 188 H CA -1.763 54.348 56.048 0.106 0.000 1.285 188 H CB 0.669 30.477 29.762 0.077 0.000 1.625 188 H HN 0.339 nan 8.280 nan 0.000 0.521 189 P HA 0.102 nan 4.420 nan 0.000 0.276 189 P C -0.083 177.081 177.300 -0.227 0.000 1.244 189 P CA -0.306 62.723 63.100 -0.119 0.000 0.801 189 P CB 1.940 33.544 31.700 -0.159 0.000 1.006 190 L N 1.405 122.405 121.223 -0.371 0.000 2.365 190 L HA 0.275 4.616 4.340 0.001 0.000 0.267 190 L C 1.621 178.268 176.870 -0.371 0.000 1.033 190 L CA -0.478 54.165 54.840 -0.330 0.000 0.802 190 L CB 0.935 42.732 42.059 -0.436 0.000 1.267 190 L HN 0.393 nan 8.230 nan 0.000 0.457 191 D N -0.476 119.818 120.400 -0.178 0.000 2.340 191 D HA -0.019 4.621 4.640 0.001 0.000 0.220 191 D C 0.023 176.449 176.300 0.210 0.000 1.039 191 D CA 0.130 54.127 54.000 -0.005 0.000 0.866 191 D CB -0.069 40.774 40.800 0.070 0.000 0.913 191 D HN 0.218 nan 8.370 nan 0.000 0.523 192 F N -0.937 119.060 119.950 0.078 0.000 2.541 192 F HA 0.615 5.143 4.527 0.001 0.000 0.331 192 F C -0.621 175.204 175.800 0.040 0.000 1.057 192 F CA -2.096 55.945 58.000 0.069 0.000 0.975 192 F CB 1.253 40.271 39.000 0.030 0.000 1.246 192 F HN -0.154 nan 8.300 nan 0.000 0.484 193 C N 3.748 123.182 119.300 0.223 0.000 2.534 193 C HA 0.590 5.051 4.460 0.001 0.000 0.309 193 C C -2.748 172.348 174.990 0.178 0.000 1.072 193 C CA -2.123 56.949 59.018 0.088 0.000 1.441 193 C CB -0.145 27.586 27.740 -0.014 0.000 1.906 193 C HN 0.632 nan 8.230 nan 0.000 0.429 194 P HA 0.278 nan 4.420 nan 0.000 0.271 194 P C -0.592 176.761 177.300 0.088 0.000 1.216 194 P CA 0.069 63.264 63.100 0.158 0.000 0.776 194 P CB 0.415 32.212 31.700 0.162 0.000 0.881 195 I N 3.442 124.056 120.570 0.074 0.000 2.354 195 I HA 0.309 4.479 4.170 0.001 0.000 0.292 195 I C -0.034 176.040 176.117 -0.072 0.000 0.989 195 I CA -0.675 60.607 61.300 -0.030 0.000 1.188 195 I CB 1.449 39.376 38.000 -0.122 0.000 1.342 195 I HN 0.044 nan 8.210 nan 0.000 0.457 196 V N 4.946 124.812 119.914 -0.080 0.000 2.540 196 V HA 0.268 4.389 4.120 0.001 0.000 0.302 196 V C -0.098 175.938 176.094 -0.096 0.000 1.035 196 V CA -0.789 61.472 62.300 -0.065 0.000 0.873 196 V CB 2.361 34.178 31.823 -0.010 0.000 0.992 196 V HN 0.637 nan 8.190 nan 0.000 0.428 197 D N 3.194 123.536 120.400 -0.097 0.000 2.352 197 D HA 0.122 4.763 4.640 0.001 0.000 0.245 197 D C 1.220 177.492 176.300 -0.047 0.000 1.224 197 D CA 0.155 54.099 54.000 -0.094 0.000 0.879 197 D CB 1.725 42.471 40.800 -0.089 0.000 1.057 197 D HN 0.623 nan 8.370 nan 0.000 0.491 198 T N 3.366 117.900 114.554 -0.033 0.000 2.607 198 T HA -0.218 4.133 4.350 0.001 0.000 0.267 198 T C 1.572 176.265 174.700 -0.012 0.000 1.049 198 T CA 1.139 63.233 62.100 -0.010 0.000 1.162 198 T CB -0.058 68.812 68.868 0.003 0.000 0.863 198 T HN 0.551 nan 8.240 nan 0.000 0.424 199 E N 0.518 120.706 120.200 -0.019 0.000 2.038 199 E HA -0.187 4.163 4.350 0.001 0.000 0.195 199 E C 2.240 178.830 176.600 -0.017 0.000 1.000 199 E CA 1.095 57.483 56.400 -0.019 0.000 0.803 199 E CB -0.026 29.660 29.700 -0.023 0.000 0.750 199 E HN 0.345 nan 8.360 nan 0.000 0.448 200 E N 0.571 120.758 120.200 -0.021 0.000 2.347 200 E HA -0.076 4.274 4.350 0.001 0.000 0.196 200 E C 0.125 176.717 176.600 -0.015 0.000 1.008 200 E CA 0.274 56.664 56.400 -0.018 0.000 0.852 200 E CB -0.043 29.644 29.700 -0.022 0.000 0.783 200 E HN 0.212 nan 8.360 nan 0.000 0.505 201 K N 0.695 121.087 120.400 -0.014 0.000 3.419 201 K HA -0.228 4.092 4.320 0.001 0.000 0.272 201 K C -0.355 176.240 176.600 -0.009 0.000 0.973 201 K CA 0.821 57.103 56.287 -0.008 0.000 0.749 201 K CB -1.460 31.038 32.500 -0.003 0.000 1.403 201 K HN 0.308 nan 8.250 nan 0.000 0.456 202 K N -2.540 117.850 120.400 -0.016 0.000 2.578 202 K HA 0.365 4.685 4.320 0.001 0.000 0.269 202 K C -0.562 176.023 176.600 -0.024 0.000 0.941 202 K CA -1.144 55.134 56.287 -0.015 0.000 0.847 202 K CB 1.429 33.920 32.500 -0.015 0.000 1.397 202 K HN -0.108 nan 8.250 nan 0.000 0.422 203 V N 4.223 124.128 119.914 -0.015 0.000 2.529 203 V HA 0.048 4.169 4.120 0.001 0.000 0.292 203 V C 1.318 177.400 176.094 -0.020 0.000 1.028 203 V CA 0.113 62.403 62.300 -0.016 0.000 1.074 203 V CB 0.188 32.010 31.823 -0.002 0.000 0.958 203 V HN 0.852 nan 8.190 nan 0.000 0.481 204 I N 1.620 122.168 120.570 -0.036 0.000 4.070 204 I HA 0.524 4.694 4.170 0.001 0.000 0.328 204 I C 0.129 176.332 176.117 0.145 0.000 1.298 204 I CA 0.452 61.749 61.300 -0.005 0.000 1.173 204 I CB 0.459 38.389 38.000 -0.116 0.000 1.051 204 I HN 0.470 nan 8.210 nan 0.000 0.409 205 F N 1.050 120.966 119.950 -0.058 0.000 2.744 205 F HA 0.611 5.139 4.527 0.001 0.000 0.311 205 F C -1.908 173.922 175.800 0.050 0.000 1.144 205 F CA -0.901 57.126 58.000 0.045 0.000 0.938 205 F CB 1.858 40.960 39.000 0.171 0.000 1.292 205 F HN -0.246 nan 8.300 nan 0.000 0.444 206 I N 3.620 124.043 120.570 -0.244 0.000 2.468 206 I HA 0.250 4.421 4.170 0.001 0.000 0.285 206 I C -1.369 174.812 176.117 0.108 0.000 1.039 206 I CA -0.768 60.535 61.300 0.005 0.000 1.074 206 I CB 1.721 39.663 38.000 -0.096 0.000 1.228 206 I HN 0.361 nan 8.210 nan 0.000 0.436 207 D N 7.494 128.110 120.400 0.360 0.000 2.343 207 D HA 0.436 5.077 4.640 0.001 0.000 0.255 207 D C -0.308 176.155 176.300 0.271 0.000 1.187 207 D CA 0.351 54.598 54.000 0.411 0.000 0.875 207 D CB 1.557 42.606 40.800 0.415 0.000 1.136 207 D HN 0.282 nan 8.370 nan 0.000 0.469 208 I N 4.540 125.234 120.570 0.206 0.000 2.433 208 I HA 0.235 4.405 4.170 0.001 0.000 0.292 208 I C -1.938 174.271 176.117 0.154 0.000 1.001 208 I CA -1.907 59.493 61.300 0.166 0.000 1.119 208 I CB 2.102 40.138 38.000 0.060 0.000 1.289 208 I HN 0.118 nan 8.210 nan 0.000 0.438 209 P HA 0.175 nan 4.420 nan 0.000 0.272 209 P C -0.161 177.201 177.300 0.103 0.000 1.223 209 P CA -0.315 62.875 63.100 0.151 0.000 0.784 209 P CB 0.966 32.786 31.700 0.202 0.000 0.923 210 N N 0.676 119.425 118.700 0.082 0.000 2.244 210 N HA -0.089 4.651 4.740 0.001 0.000 0.183 210 N C 0.885 176.430 175.510 0.059 0.000 1.016 210 N CA 0.849 53.932 53.050 0.054 0.000 0.866 210 N CB 0.192 38.702 38.487 0.039 0.000 0.980 210 N HN 0.414 nan 8.380 nan 0.000 0.430 211 R N 1.852 122.401 120.500 0.082 0.000 2.229 211 R HA 0.153 4.494 4.340 0.001 0.000 0.332 211 R C -0.744 175.610 176.300 0.090 0.000 0.989 211 R CA -0.504 55.643 56.100 0.078 0.000 0.842 211 R CB 0.605 30.959 30.300 0.089 0.000 1.119 211 R HN -0.118 nan 8.270 nan 0.000 0.456 212 R N 3.460 124.000 120.500 0.066 0.000 2.357 212 R HA 0.278 4.618 4.340 0.001 0.000 0.296 212 R C -0.401 175.928 176.300 0.049 0.000 1.052 212 R CA -0.612 55.528 56.100 0.066 0.000 0.988 212 R CB 0.835 31.163 30.300 0.045 0.000 1.025 212 R HN 0.492 nan 8.270 nan 0.000 0.469 213 R N 1.602 122.129 120.500 0.044 0.000 2.451 213 R HA 0.302 4.642 4.340 0.001 0.000 0.307 213 R C -0.384 175.915 176.300 -0.002 0.000 0.965 213 R CA -0.441 55.663 56.100 0.007 0.000 0.865 213 R CB 1.764 32.048 30.300 -0.027 0.000 1.174 213 R HN 0.363 nan 8.270 nan 0.000 0.455 214 K N 1.432 121.829 120.400 -0.006 0.000 2.126 214 K HA 0.298 4.619 4.320 0.001 0.000 0.257 214 K C -0.039 176.542 176.600 -0.031 0.000 1.007 214 K CA -0.831 55.450 56.287 -0.011 0.000 0.928 214 K CB 0.853 33.344 32.500 -0.015 0.000 1.013 214 K HN 0.222 nan 8.250 nan 0.000 0.473 215 V N 0.845 120.733 119.914 -0.042 0.000 2.902 215 V HA -0.137 3.984 4.120 0.001 0.000 0.297 215 V C 0.717 176.808 176.094 -0.005 0.000 1.230 215 V CA -0.072 62.203 62.300 -0.042 0.000 1.344 215 V CB 0.342 32.079 31.823 -0.142 0.000 0.889 215 V HN 0.833 nan 8.190 nan 0.000 0.515 216 S N 2.279 118.001 115.700 0.037 0.000 2.564 216 S HA 0.225 4.696 4.470 0.001 0.000 0.278 216 S C 0.584 175.276 174.600 0.154 0.000 1.333 216 S CA -0.325 57.894 58.200 0.031 0.000 1.048 216 S CB 0.603 63.695 63.200 -0.180 0.000 0.900 216 S HN 0.779 nan 8.310 nan 0.000 0.505 217 K N 1.860 122.269 120.400 0.015 0.000 2.372 217 K HA 0.211 4.532 4.320 0.001 0.000 0.200 217 K C -0.165 176.425 176.600 -0.018 0.000 1.022 217 K CA -0.038 56.243 56.287 -0.010 0.000 1.125 217 K CB 0.093 32.524 32.500 -0.116 0.000 0.855 217 K HN 0.712 nan 8.250 nan 0.000 0.524 218 H N 0.356 119.552 119.070 0.210 0.000 2.544 218 H HA 0.165 4.721 4.556 0.001 0.000 0.365 218 H C -0.043 175.505 175.328 0.366 0.000 1.268 218 H CA -0.122 56.049 56.048 0.205 0.000 1.400 218 H CB 0.705 30.522 29.762 0.091 0.000 1.538 218 H HN -0.166 nan 8.280 nan 0.000 0.597 219 K N 0.756 121.429 120.400 0.455 0.000 2.219 219 K HA 0.081 4.401 4.320 0.001 0.000 0.258 219 K C -0.431 176.484 176.600 0.525 0.000 1.008 219 K CA -0.263 56.266 56.287 0.402 0.000 0.928 219 K CB 0.329 33.005 32.500 0.293 0.000 0.983 219 K HN 0.502 nan 8.250 nan 0.000 0.484 220 H N -0.103 119.116 119.070 0.248 0.000 2.690 220 H HA 0.143 4.700 4.556 0.001 0.000 0.365 220 H C -0.272 175.067 175.328 0.019 0.000 1.142 220 H CA 0.226 56.391 56.048 0.196 0.000 1.417 220 H CB 0.855 30.592 29.762 -0.041 0.000 1.446 220 H HN 0.659 nan 8.280 nan 0.000 0.599 221 A N 4.076 126.837 122.820 -0.098 0.000 2.650 221 A HA 0.219 4.539 4.320 0.001 0.000 0.320 221 A C -0.120 177.324 177.584 -0.233 0.000 1.466 221 A CA -0.727 51.124 52.037 -0.310 0.000 1.099 221 A CB -0.551 18.026 19.000 -0.706 0.000 1.136 221 A HN 0.669 nan 8.150 nan 0.000 0.532 222 N N 0.845 119.405 118.700 -0.233 0.000 2.476 222 N HA 0.611 5.351 4.740 0.001 0.000 0.276 222 N C -0.172 175.272 175.510 -0.111 0.000 1.204 222 N CA -0.234 52.566 53.050 -0.416 0.000 0.974 222 N CB 1.019 38.864 38.487 -1.071 0.000 1.204 222 N HN 0.592 nan 8.380 nan 0.000 0.543 223 F N -2.461 117.497 119.950 0.013 0.000 2.899 223 F HA 0.437 4.964 4.527 0.001 0.000 0.337 223 F C -0.433 175.401 175.800 0.058 0.000 1.129 223 F CA -0.842 57.165 58.000 0.011 0.000 1.128 223 F CB -0.499 38.417 39.000 -0.140 0.000 1.154 223 F HN 0.198 nan 8.300 nan 0.000 0.531 224 Y N 2.553 123.003 120.300 0.251 0.000 2.301 224 Y HA 0.357 4.908 4.550 0.001 0.000 0.328 224 Y C -1.100 174.814 175.900 0.024 0.000 1.242 224 Y CA -1.715 56.444 58.100 0.099 0.000 1.323 224 Y CB 0.452 38.841 38.460 -0.118 0.000 1.266 224 Y HN -0.234 nan 8.280 nan 0.000 0.527 225 P HA -0.301 nan 4.420 nan 0.000 0.218 225 P C 1.143 178.458 177.300 0.024 0.000 1.154 225 P CA 2.689 65.831 63.100 0.070 0.000 0.872 225 P CB 0.126 31.861 31.700 0.058 0.000 0.790 226 K N -1.015 119.348 120.400 -0.062 0.000 2.147 226 K HA -0.199 4.121 4.320 0.001 0.000 0.205 226 K C 1.691 178.249 176.600 -0.070 0.000 1.049 226 K CA 1.661 57.878 56.287 -0.117 0.000 0.936 226 K CB -1.071 31.292 32.500 -0.228 0.000 0.722 226 K HN 0.275 nan 8.250 nan 0.000 0.446 227 H N -0.069 119.028 119.070 0.045 0.000 2.363 227 H HA 0.071 4.627 4.556 0.001 0.000 0.301 227 H C 2.184 177.540 175.328 0.045 0.000 1.074 227 H CA 1.278 57.345 56.048 0.032 0.000 1.354 227 H CB 0.090 29.862 29.762 0.017 0.000 1.397 227 H HN 0.065 nan 8.280 nan 0.000 0.516 228 M N 0.289 119.994 119.600 0.176 0.000 2.117 228 M HA -0.117 4.363 4.480 0.001 0.000 0.262 228 M C 2.325 178.676 176.300 0.085 0.000 1.065 228 M CA 1.303 56.675 55.300 0.119 0.000 1.114 228 M CB -0.704 31.955 32.600 0.099 0.000 1.361 228 M HN 0.295 nan 8.290 nan 0.000 0.408 229 I N -0.223 120.386 120.570 0.065 0.000 2.335 229 I HA -0.285 3.885 4.170 0.001 0.000 0.251 229 I C 2.455 178.603 176.117 0.053 0.000 1.129 229 I CA 1.200 62.528 61.300 0.047 0.000 1.402 229 I CB -0.243 37.774 38.000 0.029 0.000 1.069 229 I HN 0.390 nan 8.210 nan 0.000 0.424 230 E N 0.339 120.579 120.200 0.067 0.000 2.076 230 E HA -0.212 4.139 4.350 0.001 0.000 0.190 230 E C 2.088 178.734 176.600 0.078 0.000 0.979 230 E CA 0.808 57.251 56.400 0.071 0.000 0.807 230 E CB 0.147 29.899 29.700 0.086 0.000 0.761 230 E HN 0.330 nan 8.360 nan 0.000 0.454 231 K N 0.656 121.111 120.400 0.093 0.000 1.973 231 K HA -0.080 4.240 4.320 0.001 0.000 0.210 231 K C 0.984 177.631 176.600 0.077 0.000 1.045 231 K CA 1.210 57.553 56.287 0.094 0.000 0.937 231 K CB 0.066 32.629 32.500 0.105 0.000 0.721 231 K HN 0.000 nan 8.250 nan 0.000 0.438 232 V N -2.132 117.824 119.914 0.070 0.000 2.713 232 V HA 0.462 4.582 4.120 0.001 0.000 0.307 232 V C 1.250 177.374 176.094 0.050 0.000 1.052 232 V CA -0.358 61.977 62.300 0.057 0.000 0.967 232 V CB 1.142 32.997 31.823 0.053 0.000 1.019 232 V HN 0.384 nan 8.190 nan 0.000 0.459 233 G N 1.609 110.434 108.800 0.041 0.000 2.503 233 G HA2 0.225 4.185 3.960 0.001 0.000 0.221 233 G HA3 0.225 4.185 3.960 0.001 0.000 0.221 233 G C 0.539 175.459 174.900 0.033 0.000 1.131 233 G CA 1.428 46.550 45.100 0.036 0.000 0.756 233 G HN 1.782 nan 8.290 nan 0.000 0.572 234 A N -2.091 120.749 122.820 0.033 0.000 2.536 234 A HA 0.676 4.997 4.320 0.001 0.000 0.293 234 A C -0.669 176.933 177.584 0.029 0.000 1.119 234 A CA -0.681 51.374 52.037 0.029 0.000 0.654 234 A CB 0.590 19.603 19.000 0.023 0.000 1.291 234 A HN -0.003 nan 8.150 nan 0.000 0.439 235 M N 0.696 120.312 119.600 0.026 0.000 2.283 235 M HA 0.396 4.876 4.480 0.001 0.000 0.314 235 M C 0.561 176.873 176.300 0.020 0.000 1.153 235 M CA -0.055 55.260 55.300 0.025 0.000 1.084 235 M CB 0.472 33.086 32.600 0.023 0.000 1.468 235 M HN 0.738 nan 8.290 nan 0.000 0.474 236 R N 1.075 121.586 120.500 0.017 0.000 2.539 236 R HA 0.330 4.670 4.340 0.001 0.000 0.275 236 R C -2.000 174.307 176.300 0.012 0.000 1.077 236 R CA -1.344 54.764 56.100 0.013 0.000 1.097 236 R CB -0.283 30.023 30.300 0.011 0.000 1.018 236 R HN 0.390 nan 8.270 nan 0.000 0.483 237 P HA -0.005 nan 4.420 nan 0.000 0.269 237 P C -0.615 176.689 177.300 0.008 0.000 1.209 237 P CA -0.209 62.897 63.100 0.009 0.000 0.776 237 P CB 0.503 32.207 31.700 0.008 0.000 0.876 238 E N 0.972 121.176 120.200 0.008 0.000 2.481 238 E HA 0.272 4.623 4.350 0.001 0.000 0.263 238 E C -0.302 176.301 176.600 0.005 0.000 0.992 238 E CA 0.051 56.455 56.400 0.007 0.000 0.938 238 E CB 0.196 29.901 29.700 0.007 0.000 0.933 238 E HN 0.520 nan 8.360 nan 0.000 0.453 239 A N 4.942 127.765 122.820 0.004 0.000 2.295 239 A HA 0.538 4.858 4.320 0.001 0.000 0.318 239 A C -2.198 175.388 177.584 0.004 0.000 1.134 239 A CA -1.560 50.479 52.037 0.003 0.000 0.827 239 A CB 0.191 19.192 19.000 0.002 0.000 1.136 239 A HN 0.607 nan 8.150 nan 0.000 0.493 240 P HA 0.164 nan 4.420 nan 0.000 0.262 240 P C -2.226 175.077 177.300 0.004 0.000 1.182 240 P CA -0.285 62.817 63.100 0.004 0.000 0.761 240 P CB -0.228 31.474 31.700 0.003 0.000 0.795 241 P HA 0.210 nan 4.420 nan 0.000 0.272 241 P C -0.584 176.720 177.300 0.006 0.000 1.230 241 P CA 0.174 63.278 63.100 0.005 0.000 0.788 241 P CB 0.930 32.634 31.700 0.007 0.000 0.949 242 I N 2.251 122.824 120.570 0.006 0.000 2.437 242 I HA 0.209 4.379 4.170 0.001 0.000 0.279 242 I C -0.127 175.996 176.117 0.010 0.000 1.028 242 I CA -0.667 60.637 61.300 0.007 0.000 1.142 242 I CB 0.956 38.959 38.000 0.006 0.000 1.266 242 I HN 0.164 nan 8.210 nan 0.000 0.461 243 N N 5.902 124.609 118.700 0.012 0.000 2.438 243 N HA 0.394 5.134 4.740 0.001 0.000 0.282 243 N C -0.568 174.953 175.510 0.019 0.000 1.037 243 N CA -0.369 52.690 53.050 0.014 0.000 0.942 243 N CB 2.755 41.250 38.487 0.013 0.000 1.136 243 N HN 0.167 nan 8.380 nan 0.000 0.481 244 V N 1.280 121.208 119.914 0.023 0.000 2.398 244 V HA 0.538 4.658 4.120 0.001 0.000 0.286 244 V C 0.406 176.519 176.094 0.033 0.000 1.026 244 V CA -0.553 61.766 62.300 0.031 0.000 0.868 244 V CB 1.404 33.251 31.823 0.040 0.000 0.982 244 V HN 0.842 nan 8.190 nan 0.000 0.443 245 T N 2.633 117.207 114.554 0.034 0.000 2.912 245 T HA 0.560 4.911 4.350 0.001 0.000 0.299 245 T C -0.867 173.854 174.700 0.035 0.000 1.052 245 T CA -0.674 61.445 62.100 0.031 0.000 0.996 245 T CB 2.072 70.954 68.868 0.023 0.000 1.070 245 T HN 0.581 nan 8.240 nan 0.000 0.465 246 Q N 3.320 123.140 119.800 0.034 0.000 2.907 246 Q HA 0.278 4.618 4.340 0.001 0.000 0.262 246 Q C -1.632 174.378 176.000 0.017 0.000 0.997 246 Q CA -2.115 53.707 55.803 0.031 0.000 0.797 246 Q CB 1.639 30.401 28.738 0.040 0.000 1.228 246 Q HN 0.615 nan 8.270 nan 0.000 0.466 247 P HA -0.206 nan 4.420 nan 0.000 0.216 247 P C 0.085 177.386 177.300 0.003 0.000 1.150 247 P CA 1.382 64.487 63.100 0.009 0.000 0.843 247 P CB 0.450 32.156 31.700 0.010 0.000 0.787 248 E N -0.566 119.635 120.200 0.002 0.000 2.451 248 E HA 0.388 4.738 4.350 0.001 0.000 0.194 248 E C 0.871 177.460 176.600 -0.018 0.000 1.027 248 E CA 0.064 56.461 56.400 -0.006 0.000 0.914 248 E CB 0.103 29.801 29.700 -0.003 0.000 1.054 248 E HN 0.262 nan 8.360 nan 0.000 0.461 249 G N 0.480 109.267 108.800 -0.022 0.000 2.660 249 G HA2 -0.213 3.747 3.960 0.001 0.000 0.247 249 G HA3 -0.213 3.747 3.960 0.001 0.000 0.247 249 G C -0.193 174.667 174.900 -0.066 0.000 1.328 249 G CA -0.577 44.492 45.100 -0.052 0.000 0.884 249 G HN 0.437 nan 8.290 nan 0.000 0.531 250 V N -2.469 117.347 119.914 -0.163 0.000 2.966 250 V HA 0.857 4.978 4.120 0.001 0.000 0.317 250 V C 1.538 177.524 176.094 -0.180 0.000 1.070 250 V CA 0.865 63.039 62.300 -0.210 0.000 1.008 250 V CB 1.463 32.926 31.823 -0.601 0.000 1.070 250 V HN 2.333 nan 8.190 nan 0.000 0.457 251 S N 1.348 117.049 115.700 0.001 0.000 2.528 251 S HA 0.181 4.652 4.470 0.001 0.000 0.219 251 S C 0.489 175.207 174.600 0.197 0.000 0.985 251 S CA -0.060 58.200 58.200 0.099 0.000 0.914 251 S CB -0.731 62.580 63.200 0.184 0.000 0.776 251 S HN 1.018 nan 8.310 nan 0.000 0.526 252 F N 1.365 121.466 119.950 0.252 0.000 2.377 252 F HA 0.760 5.287 4.527 0.001 0.000 0.328 252 F C -0.216 175.627 175.800 0.072 0.000 1.094 252 F CA -1.376 56.757 58.000 0.222 0.000 1.093 252 F CB 0.819 39.908 39.000 0.147 0.000 1.214 252 F HN -0.056 nan 8.300 nan 0.000 0.518 253 K N 4.206 124.766 120.400 0.266 0.000 2.426 253 K HA 0.485 4.805 4.320 0.001 0.000 0.254 253 K C -1.581 175.078 176.600 0.097 0.000 0.936 253 K CA -0.695 55.664 56.287 0.120 0.000 0.801 253 K CB 1.286 33.816 32.500 0.051 0.000 1.139 253 K HN 0.899 nan 8.250 nan 0.000 0.424 254 M N 3.164 122.807 119.600 0.071 0.000 2.227 254 M HA 0.227 4.707 4.480 0.001 0.000 0.335 254 M C -0.813 175.485 176.300 -0.002 0.000 1.053 254 M CA -0.584 54.691 55.300 -0.041 0.000 0.973 254 M CB 2.099 34.598 32.600 -0.168 0.000 1.623 254 M HN 0.550 nan 8.290 nan 0.000 0.434 255 T N 2.964 117.505 114.554 -0.021 0.000 3.154 255 T HA 0.535 4.886 4.350 0.001 0.000 0.381 255 T C 0.632 175.345 174.700 0.023 0.000 1.368 255 T CA 0.308 62.421 62.100 0.021 0.000 1.155 255 T CB 0.641 69.530 68.868 0.035 0.000 1.120 255 T HN 1.080 nan 8.240 nan 0.000 0.570 256 G N 3.883 112.702 108.800 0.032 0.000 2.527 256 G HA2 -0.286 3.674 3.960 0.001 0.000 0.262 256 G HA3 -0.286 3.674 3.960 0.001 0.000 0.262 256 G C 0.720 175.590 174.900 -0.050 0.000 1.153 256 G CA -0.107 45.012 45.100 0.031 0.000 0.954 256 G HN 0.513 nan 8.290 nan 0.000 0.552 257 N N 0.381 119.002 118.700 -0.131 0.000 2.353 257 N HA 0.174 4.914 4.740 0.001 0.000 0.185 257 N C 0.684 175.926 175.510 -0.446 0.000 1.098 257 N CA 0.659 53.505 53.050 -0.339 0.000 0.872 257 N CB 0.730 38.878 38.487 -0.566 0.000 0.970 257 N HN 0.379 nan 8.380 nan 0.000 0.467 258 V N 2.616 122.373 119.914 -0.262 0.000 2.508 258 V HA 0.112 4.233 4.120 0.001 0.000 0.281 258 V C 0.346 176.258 176.094 -0.302 0.000 1.041 258 V CA -0.250 61.917 62.300 -0.222 0.000 1.016 258 V CB 0.923 32.748 31.823 0.003 0.000 0.984 258 V HN 0.133 nan 8.190 nan 0.000 0.478 259 M N 5.590 124.862 119.600 -0.547 0.000 2.404 259 M HA 0.546 5.026 4.480 0.001 0.000 0.338 259 M C -0.620 175.399 176.300 -0.468 0.000 1.150 259 M CA 0.282 55.195 55.300 -0.644 0.000 1.016 259 M CB 1.556 33.429 32.600 -1.212 0.000 1.672 259 M HN 0.632 nan 8.290 nan 0.000 0.448 260 E N 3.615 123.703 120.200 -0.187 0.000 2.265 260 E HA 0.446 4.796 4.350 0.001 0.000 0.262 260 E C -2.280 174.434 176.600 0.191 0.000 0.889 260 E CA -0.280 56.115 56.400 -0.009 0.000 0.789 260 E CB 1.780 31.484 29.700 0.006 0.000 1.221 260 E HN 0.795 nan 8.360 nan 0.000 0.414 261 W N 2.198 123.504 121.300 0.010 0.000 3.827 261 W HA 0.168 4.828 4.660 0.001 0.000 0.307 261 W C -0.397 176.216 176.519 0.157 0.000 1.204 261 W CA -0.290 57.112 57.345 0.096 0.000 1.250 261 W CB 1.375 30.897 29.460 0.104 0.000 1.281 261 W HN 0.453 nan 8.180 nan 0.000 0.494 262 S N 4.857 120.173 115.700 -0.640 0.000 3.549 262 S HA -0.307 4.164 4.470 0.001 0.000 0.366 262 S C 0.751 175.074 174.600 -0.461 0.000 1.012 262 S CA 1.825 59.604 58.200 -0.703 0.000 1.141 262 S CB -1.288 61.152 63.200 -1.268 0.000 0.910 262 S HN 0.853 nan 8.310 nan 0.000 0.471 263 N N -2.913 115.538 118.700 -0.415 0.000 2.967 263 N HA -0.168 4.573 4.740 0.001 0.000 0.212 263 N C -0.149 175.032 175.510 -0.548 0.000 0.884 263 N CA 1.618 54.268 53.050 -0.667 0.000 1.030 263 N CB -1.299 36.363 38.487 -1.374 0.000 1.018 263 N HN 0.533 nan 8.380 nan 0.000 0.596 264 F N 1.513 121.393 119.950 -0.117 0.000 2.382 264 F HA 0.460 4.988 4.527 0.001 0.000 0.331 264 F C 0.963 176.833 175.800 0.117 0.000 1.121 264 F CA 0.294 58.386 58.000 0.153 0.000 1.183 264 F CB 0.910 40.156 39.000 0.410 0.000 1.207 264 F HN -0.194 nan 8.300 nan 0.000 0.555 265 K N 3.926 124.586 120.400 0.432 0.000 2.535 265 K HA 0.533 4.853 4.320 0.001 0.000 0.251 265 K C -1.870 174.932 176.600 0.337 0.000 0.942 265 K CA -0.452 55.958 56.287 0.205 0.000 0.798 265 K CB 1.742 34.319 32.500 0.129 0.000 1.267 265 K HN 0.552 nan 8.250 nan 0.000 0.434 266 F N -0.323 119.640 119.950 0.021 0.000 2.773 266 F HA 0.411 4.939 4.527 0.001 0.000 0.314 266 F C -1.547 174.246 175.800 -0.012 0.000 1.160 266 F CA -1.174 56.837 58.000 0.018 0.000 0.920 266 F CB 0.950 39.920 39.000 -0.050 0.000 1.323 266 F HN 0.416 nan 8.300 nan 0.000 0.457 267 H N 2.464 121.608 119.070 0.123 0.000 2.476 267 H HA 0.544 5.100 4.556 0.001 0.000 0.328 267 H C -1.131 174.200 175.328 0.006 0.000 1.073 267 H CA -0.675 55.323 56.048 -0.083 0.000 1.229 267 H CB 1.506 31.111 29.762 -0.263 0.000 1.432 267 H HN 0.732 nan 8.280 nan 0.000 0.477 268 I N 5.492 125.845 120.570 -0.362 0.000 2.287 268 I HA 0.227 4.398 4.170 0.001 0.000 0.290 268 I C 1.025 177.054 176.117 -0.146 0.000 1.069 268 I CA -0.333 60.884 61.300 -0.138 0.000 1.237 268 I CB 0.942 38.853 38.000 -0.148 0.000 1.418 268 I HN 0.528 nan 8.210 nan 0.000 0.481 269 G N 5.238 114.099 108.800 0.102 0.000 2.552 269 G HA2 0.723 4.683 3.960 0.001 0.000 0.318 269 G HA3 0.723 4.683 3.960 0.001 0.000 0.318 269 G C -1.508 173.520 174.900 0.213 0.000 1.240 269 G CA -0.340 44.877 45.100 0.195 0.000 1.002 269 G HN 0.400 nan 8.290 nan 0.000 0.493 270 F N 0.385 120.361 119.950 0.043 0.000 2.688 270 F HA 0.475 5.002 4.527 0.001 0.000 0.308 270 F C -1.225 174.639 175.800 0.106 0.000 1.117 270 F CA -0.848 57.183 58.000 0.052 0.000 0.976 270 F CB 2.185 41.215 39.000 0.050 0.000 1.291 270 F HN 0.842 nan 8.300 nan 0.000 0.439 271 N N 1.858 120.405 118.700 -0.256 0.000 2.825 271 N HA 0.202 4.942 4.740 0.001 0.000 0.253 271 N C 0.095 175.493 175.510 -0.186 0.000 1.426 271 N CA -0.421 52.648 53.050 0.032 0.000 0.851 271 N CB 0.336 38.850 38.487 0.044 0.000 1.470 271 N HN 0.551 nan 8.380 nan 0.000 0.517 272 Y N -0.487 119.659 120.300 -0.257 0.000 2.181 272 Y HA -0.062 4.489 4.550 0.001 0.000 0.284 272 Y C 2.053 177.475 175.900 -0.797 0.000 1.179 272 Y CA 1.605 59.152 58.100 -0.921 0.000 1.179 272 Y CB -0.413 37.192 38.460 -1.425 0.000 0.973 272 Y HN 0.617 nan 8.280 nan 0.000 0.519 273 R N 0.259 119.844 120.500 -1.525 0.000 2.041 273 R HA 0.019 4.359 4.340 0.001 0.000 0.221 273 R C 2.199 178.061 176.300 -0.729 0.000 1.196 273 R CA 1.210 56.566 56.100 -1.240 0.000 0.969 273 R CB -0.048 29.352 30.300 -1.500 0.000 0.858 273 R HN 0.482 nan 8.270 nan 0.000 0.444 274 E N -0.414 119.447 120.200 -0.565 0.000 2.285 274 E HA 0.111 4.461 4.350 0.001 0.000 0.194 274 E C 0.919 177.297 176.600 -0.370 0.000 0.997 274 E CA 0.430 56.622 56.400 -0.345 0.000 0.845 274 E CB 0.312 29.901 29.700 -0.185 0.000 0.782 274 E HN 0.558 nan 8.360 nan 0.000 0.491 275 G N 1.712 110.127 108.800 -0.641 0.000 2.509 275 G HA2 -0.318 3.643 3.960 0.001 0.000 0.256 275 G HA3 -0.318 3.643 3.960 0.001 0.000 0.256 275 G C -0.027 174.322 174.900 -0.918 0.000 1.152 275 G CA -0.279 44.232 45.100 -0.981 0.000 0.951 275 G HN 0.164 nan 8.290 nan 0.000 0.559 276 I N 1.043 121.446 120.570 -0.277 0.000 2.710 276 I HA 0.361 4.531 4.170 0.001 0.000 0.286 276 I C 0.353 176.328 176.117 -0.236 0.000 1.181 276 I CA 0.113 61.386 61.300 -0.044 0.000 1.430 276 I CB 0.890 38.952 38.000 0.103 0.000 1.367 276 I HN 0.358 nan 8.210 nan 0.000 0.577 277 V N 7.713 127.498 119.914 -0.214 0.000 2.525 277 V HA 0.374 4.494 4.120 0.001 0.000 0.299 277 V C -0.167 175.780 176.094 -0.245 0.000 1.034 277 V CA -0.569 61.567 62.300 -0.274 0.000 0.863 277 V CB 1.730 33.445 31.823 -0.180 0.000 0.999 277 V HN 0.438 nan 8.190 nan 0.000 0.423 278 L N 3.936 124.928 121.223 -0.385 0.000 2.295 278 L HA 0.733 5.074 4.340 0.001 0.000 0.285 278 L C 0.177 176.936 176.870 -0.186 0.000 1.035 278 L CA 0.080 54.767 54.840 -0.256 0.000 0.806 278 L CB 1.738 43.531 42.059 -0.444 0.000 1.214 278 L HN 0.622 nan 8.230 nan 0.000 0.426 279 S N 0.348 116.018 115.700 -0.051 0.000 2.627 279 S HA 0.293 4.763 4.470 0.001 0.000 0.283 279 S C -0.689 173.929 174.600 0.030 0.000 1.127 279 S CA -0.591 57.526 58.200 -0.139 0.000 0.863 279 S CB 1.778 64.801 63.200 -0.295 0.000 1.121 279 S HN 0.741 nan 8.310 nan 0.000 0.479 280 D N 1.087 121.487 120.400 -0.000 0.000 2.740 280 D HA -0.137 4.504 4.640 0.001 0.000 0.231 280 D C -0.644 175.814 176.300 0.264 0.000 1.194 280 D CA 0.435 54.566 54.000 0.219 0.000 0.673 280 D CB -1.067 39.941 40.800 0.346 0.000 0.995 280 D HN 0.232 nan 8.370 nan 0.000 0.411 281 V N 0.952 121.003 119.914 0.228 0.000 2.498 281 V HA 0.613 4.733 4.120 0.001 0.000 0.279 281 V C 0.850 177.087 176.094 0.238 0.000 1.048 281 V CA 0.341 62.801 62.300 0.268 0.000 0.967 281 V CB 1.616 33.557 31.823 0.197 0.000 0.988 281 V HN 0.501 nan 8.190 nan 0.000 0.473 282 S N 4.311 120.208 115.700 0.327 0.000 2.607 282 S HA 0.737 5.207 4.470 0.001 0.000 0.273 282 S C -1.498 173.307 174.600 0.341 0.000 1.148 282 S CA -0.780 57.583 58.200 0.273 0.000 0.833 282 S CB 1.944 65.271 63.200 0.211 0.000 1.130 282 S HN 0.602 nan 8.310 nan 0.000 0.470 283 Y N 1.721 122.095 120.300 0.124 0.000 2.391 283 Y HA 0.547 5.097 4.550 0.001 0.000 0.341 283 Y C -0.555 175.382 175.900 0.062 0.000 0.965 283 Y CA -0.741 57.370 58.100 0.019 0.000 1.067 283 Y CB 1.693 40.135 38.460 -0.030 0.000 1.199 283 Y HN 0.867 nan 8.280 nan 0.000 0.450 284 N N 4.720 123.227 118.700 -0.321 0.000 2.482 284 N HA 0.022 4.762 4.740 0.001 0.000 0.242 284 N C -1.128 174.328 175.510 -0.090 0.000 1.100 284 N CA 0.057 53.015 53.050 -0.153 0.000 0.946 284 N CB 0.210 38.570 38.487 -0.212 0.000 1.227 284 N HN 0.670 nan 8.380 nan 0.000 0.508 285 D N 2.526 123.055 120.400 0.216 0.000 2.508 285 D HA 0.054 4.695 4.640 0.001 0.000 0.224 285 D C -0.388 175.991 176.300 0.131 0.000 1.171 285 D CA 0.024 54.193 54.000 0.280 0.000 1.006 285 D CB -0.905 40.129 40.800 0.391 0.000 1.073 285 D HN 0.581 nan 8.370 nan 0.000 0.513 286 H N 1.377 120.505 119.070 0.097 0.000 2.604 286 H HA -0.210 4.347 4.556 0.001 0.000 0.321 286 H C 1.443 176.787 175.328 0.026 0.000 1.132 286 H CA 0.719 56.791 56.048 0.039 0.000 1.129 286 H CB -0.910 28.877 29.762 0.041 0.000 1.526 286 H HN 0.676 nan 8.280 nan 0.000 0.415 287 G N 0.057 108.909 108.800 0.086 0.000 2.284 287 G HA2 -0.345 3.615 3.960 0.001 0.000 0.230 287 G HA3 -0.345 3.615 3.960 0.001 0.000 0.230 287 G C 0.213 175.141 174.900 0.048 0.000 1.021 287 G CA 0.082 45.215 45.100 0.055 0.000 0.619 287 G HN 0.713 nan 8.290 nan 0.000 0.510 288 N N 0.757 119.500 118.700 0.072 0.000 2.462 288 N HA 0.430 5.171 4.740 0.001 0.000 0.242 288 N C 0.018 175.577 175.510 0.083 0.000 1.010 288 N CA -0.364 52.723 53.050 0.062 0.000 0.939 288 N CB 0.824 39.346 38.487 0.059 0.000 1.127 288 N HN 0.058 nan 8.380 nan 0.000 0.509 289 V N 4.677 124.628 119.914 0.062 0.000 2.387 289 V HA 0.182 4.302 4.120 0.001 0.000 0.260 289 V C 0.430 176.588 176.094 0.107 0.000 1.054 289 V CA -0.064 62.284 62.300 0.081 0.000 0.967 289 V CB -0.060 31.794 31.823 0.053 0.000 1.036 289 V HN 0.597 nan 8.190 nan 0.000 0.481 290 R N 5.972 126.578 120.500 0.176 0.000 2.338 290 R HA 0.457 4.798 4.340 0.001 0.000 0.317 290 R C -2.712 173.725 176.300 0.228 0.000 0.968 290 R CA -1.826 54.387 56.100 0.188 0.000 0.849 290 R CB 1.608 32.033 30.300 0.209 0.000 1.128 290 R HN 0.403 nan 8.270 nan 0.000 0.448 291 P HA 0.100 nan 4.420 nan 0.000 0.272 291 P C -0.153 177.198 177.300 0.086 0.000 1.223 291 P CA 0.110 63.290 63.100 0.132 0.000 0.784 291 P CB 0.862 32.627 31.700 0.109 0.000 0.923 292 I N -0.393 120.130 120.570 -0.078 0.000 3.669 292 I HA 0.212 4.383 4.170 0.001 0.000 0.255 292 I C -0.089 175.745 176.117 -0.472 0.000 1.144 292 I CA 0.449 61.457 61.300 -0.486 0.000 1.447 292 I CB 0.255 37.695 38.000 -0.933 0.000 1.622 292 I HN 0.110 nan 8.210 nan 0.000 0.435 293 F N -0.026 119.880 119.950 -0.073 0.000 2.551 293 F HA 0.361 4.888 4.527 0.001 0.000 0.316 293 F C 0.986 176.794 175.800 0.014 0.000 1.089 293 F CA -1.030 56.928 58.000 -0.071 0.000 0.915 293 F CB 0.838 39.748 39.000 -0.151 0.000 1.186 293 F HN -0.028 nan 8.300 nan 0.000 0.456 294 H N 1.478 120.618 119.070 0.117 0.000 2.465 294 H HA 0.293 4.850 4.556 0.001 0.000 0.289 294 H C 0.160 175.465 175.328 -0.039 0.000 1.022 294 H CA 0.735 56.795 56.048 0.021 0.000 1.340 294 H CB 0.602 30.332 29.762 -0.053 0.000 1.437 294 H HN 0.565 nan 8.280 nan 0.000 0.539 295 R N 0.479 120.888 120.500 -0.152 0.000 2.634 295 R HA 0.383 4.724 4.340 0.001 0.000 0.263 295 R C -2.216 173.913 176.300 -0.284 0.000 1.060 295 R CA -0.530 55.402 56.100 -0.280 0.000 0.898 295 R CB 1.938 32.038 30.300 -0.333 0.000 1.253 295 R HN 0.239 nan 8.270 nan 0.000 0.461 296 I N 2.327 122.690 120.570 -0.345 0.000 2.722 296 I HA 0.561 4.731 4.170 0.001 0.000 0.292 296 I C -1.611 174.231 176.117 -0.458 0.000 1.267 296 I CA -0.073 60.981 61.300 -0.409 0.000 1.036 296 I CB 2.162 39.868 38.000 -0.491 0.000 1.281 296 I HN 0.955 nan 8.210 nan 0.000 0.423 297 S N 6.155 121.689 115.700 -0.276 0.000 2.669 297 S HA 0.522 4.992 4.470 0.001 0.000 0.266 297 S C -1.791 172.890 174.600 0.134 0.000 1.149 297 S CA -1.060 57.049 58.200 -0.151 0.000 0.842 297 S CB 1.061 64.150 63.200 -0.185 0.000 1.160 297 S HN 0.613 nan 8.310 nan 0.000 0.487 298 L N 2.630 123.989 121.223 0.226 0.000 2.264 298 L HA 0.487 4.828 4.340 0.001 0.000 0.289 298 L C 1.233 178.145 176.870 0.070 0.000 1.044 298 L CA -0.207 54.752 54.840 0.198 0.000 0.807 298 L CB 1.735 43.949 42.059 0.258 0.000 1.192 298 L HN 1.018 nan 8.230 nan 0.000 0.425 299 S N 0.838 116.564 115.700 0.043 0.000 2.503 299 S HA 0.194 4.664 4.470 0.001 0.000 0.215 299 S C 0.329 174.921 174.600 -0.014 0.000 1.003 299 S CA -0.139 58.117 58.200 0.094 0.000 0.910 299 S CB 0.456 63.784 63.200 0.213 0.000 0.790 299 S HN 0.666 nan 8.310 nan 0.000 0.514 300 E N -0.744 119.336 120.200 -0.200 0.000 2.411 300 E HA 0.635 4.986 4.350 0.001 0.000 0.279 300 E C -1.774 174.630 176.600 -0.326 0.000 1.132 300 E CA -0.439 55.787 56.400 -0.291 0.000 0.876 300 E CB 0.941 30.386 29.700 -0.426 0.000 1.335 300 E HN 0.314 nan 8.360 nan 0.000 0.436 301 M N 1.254 120.782 119.600 -0.121 0.000 2.683 301 M HA 0.665 5.146 4.480 0.001 0.000 0.274 301 M C -1.339 175.086 176.300 0.209 0.000 1.272 301 M CA -0.990 54.274 55.300 -0.061 0.000 0.833 301 M CB 2.587 35.003 32.600 -0.306 0.000 1.708 301 M HN 0.562 nan 8.290 nan 0.000 0.463 302 I N 0.670 121.309 120.570 0.115 0.000 2.685 302 I HA 0.420 4.590 4.170 0.001 0.000 0.289 302 I C -1.728 174.365 176.117 -0.040 0.000 1.292 302 I CA -0.492 60.847 61.300 0.064 0.000 1.050 302 I CB 1.852 39.859 38.000 0.011 0.000 1.301 302 I HN 0.422 nan 8.210 nan 0.000 0.425 303 V N 8.996 128.909 119.914 -0.002 0.000 2.233 303 V HA 0.366 4.487 4.120 0.001 0.000 0.261 303 V C -2.247 173.870 176.094 0.037 0.000 1.076 303 V CA -1.282 60.984 62.300 -0.057 0.000 1.001 303 V CB 0.481 32.281 31.823 -0.037 0.000 1.206 303 V HN 0.530 nan 8.190 nan 0.000 0.468 304 P HA 0.191 nan 4.420 nan 0.000 0.276 304 P C -0.841 176.449 177.300 -0.018 0.000 1.243 304 P CA 0.059 63.199 63.100 0.066 0.000 0.768 304 P CB 0.688 32.365 31.700 -0.039 0.000 0.856 305 Y N 1.304 121.651 120.300 0.079 0.000 2.326 305 Y HA 0.450 5.001 4.550 0.001 0.000 0.324 305 Y C 1.960 177.849 175.900 -0.018 0.000 1.291 305 Y CA 0.448 58.594 58.100 0.078 0.000 1.348 305 Y CB 0.833 39.350 38.460 0.095 0.000 1.294 305 Y HN 0.469 nan 8.280 nan 0.000 0.525 306 G N 0.049 108.905 108.800 0.094 0.000 3.690 306 G HA2 0.081 4.041 3.960 0.001 0.000 0.283 306 G HA3 0.081 4.041 3.960 0.001 0.000 0.283 306 G C -0.261 174.524 174.900 -0.193 0.000 1.057 306 G CA -0.156 44.928 45.100 -0.027 0.000 0.821 306 G HN 0.435 nan 8.290 nan 0.000 0.526 307 S N 1.190 116.713 115.700 -0.294 0.000 2.499 307 S HA 0.500 4.970 4.470 0.001 0.000 0.279 307 S C -1.101 173.187 174.600 -0.519 0.000 1.219 307 S CA -1.412 56.447 58.200 -0.568 0.000 1.062 307 S CB 1.957 64.655 63.200 -0.836 0.000 0.978 307 S HN 0.059 nan 8.310 nan 0.000 0.489 308 P HA 0.120 nan 4.420 nan 0.000 0.245 308 P C -0.414 176.757 177.300 -0.216 0.000 1.206 308 P CA 0.140 62.975 63.100 -0.442 0.000 0.781 308 P CB 0.041 31.412 31.700 -0.548 0.000 0.994 309 E N 0.247 120.359 120.200 -0.146 0.000 2.338 309 E HA 0.133 4.483 4.350 0.001 0.000 0.272 309 E C -0.413 176.156 176.600 -0.052 0.000 1.029 309 E CA -0.800 55.601 56.400 0.002 0.000 0.872 309 E CB 0.461 30.223 29.700 0.102 0.000 1.015 309 E HN 0.054 nan 8.360 nan 0.000 0.417 310 F N 4.967 124.812 119.950 -0.176 0.000 2.572 310 F HA 0.071 4.598 4.527 0.001 0.000 0.370 310 F C -1.433 174.098 175.800 -0.448 0.000 1.103 310 F CA -1.621 56.234 58.000 -0.240 0.000 1.286 310 F CB 0.824 39.740 39.000 -0.140 0.000 1.105 310 F HN 0.321 nan 8.300 nan 0.000 0.583 311 P HA 0.136 nan 4.420 nan 0.000 0.254 311 P C -0.062 176.767 177.300 -0.785 0.000 1.620 311 P CA 0.343 62.654 63.100 -1.315 0.000 1.050 311 P CB -0.372 30.665 31.700 -1.104 0.000 1.539 312 H N 0.200 119.021 119.070 -0.415 0.000 2.561 312 H HA -0.090 4.466 4.556 0.001 0.000 0.278 312 H C 1.517 176.719 175.328 -0.210 0.000 1.014 312 H CA 0.741 56.598 56.048 -0.318 0.000 1.211 312 H CB -0.263 29.314 29.762 -0.308 0.000 1.365 312 H HN 0.257 nan 8.280 nan 0.000 0.594 313 Q N 0.553 120.270 119.800 -0.137 0.000 2.297 313 Q HA -0.018 4.323 4.340 0.001 0.000 0.204 313 Q C 1.491 177.558 176.000 0.111 0.000 0.962 313 Q CA 0.755 56.533 55.803 -0.042 0.000 0.879 313 Q CB 0.042 28.730 28.738 -0.083 0.000 0.947 313 Q HN 0.355 nan 8.270 nan 0.000 0.462 314 R N 0.854 121.346 120.500 -0.013 0.000 2.323 314 R HA 0.100 4.440 4.340 0.001 0.000 0.198 314 R C -0.080 176.236 176.300 0.027 0.000 0.988 314 R CA 0.245 56.364 56.100 0.031 0.000 1.041 314 R CB 0.206 30.433 30.300 -0.122 0.000 0.926 314 R HN 0.131 nan 8.270 nan 0.000 0.476 315 K N 1.834 122.288 120.400 0.091 0.000 2.296 315 K HA 0.083 4.404 4.320 0.001 0.000 0.257 315 K C -0.404 176.457 176.600 0.436 0.000 1.088 315 K CA -0.081 56.293 56.287 0.145 0.000 0.980 315 K CB 0.514 32.904 32.500 -0.182 0.000 1.430 315 K HN 0.307 nan 8.250 nan 0.000 0.441 316 H N 0.213 119.484 119.070 0.334 0.000 3.385 316 H HA 0.167 4.724 4.556 0.001 0.000 0.205 316 H C -0.701 174.736 175.328 0.182 0.000 1.317 316 H CA -0.675 55.511 56.048 0.230 0.000 1.289 316 H CB -0.692 29.127 29.762 0.095 0.000 2.427 316 H HN 0.368 nan 8.280 nan 0.000 0.522 317 A N 1.772 124.698 122.820 0.177 0.000 2.565 317 A HA 0.265 4.585 4.320 0.001 0.000 0.237 317 A C 0.206 177.804 177.584 0.024 0.000 1.053 317 A CA -0.024 52.044 52.037 0.052 0.000 0.755 317 A CB 0.116 19.128 19.000 0.019 0.000 0.980 317 A HN 0.476 nan 8.150 nan 0.000 0.506 318 L N 3.316 124.515 121.223 -0.039 0.000 2.603 318 L HA 0.211 4.551 4.340 0.001 0.000 0.242 318 L C 0.783 177.578 176.870 -0.125 0.000 1.169 318 L CA -0.022 54.808 54.840 -0.017 0.000 1.029 318 L CB 0.664 42.746 42.059 0.039 0.000 1.361 318 L HN 0.801 nan 8.230 nan 0.000 0.439 319 D N 0.917 121.263 120.400 -0.090 0.000 2.191 319 D HA -0.262 4.379 4.640 0.001 0.000 0.195 319 D C 1.969 178.152 176.300 -0.194 0.000 1.003 319 D CA 1.724 55.691 54.000 -0.055 0.000 0.867 319 D CB 0.407 41.202 40.800 -0.008 0.000 0.926 319 D HN 0.500 nan 8.370 nan 0.000 0.450 320 I N 0.891 121.313 120.570 -0.247 0.000 2.163 320 I HA -0.144 4.027 4.170 0.001 0.000 0.240 320 I C 2.629 178.515 176.117 -0.384 0.000 1.081 320 I CA 1.384 62.479 61.300 -0.341 0.000 1.353 320 I CB -0.357 37.469 38.000 -0.291 0.000 1.054 320 I HN 0.002 nan 8.210 nan 0.000 0.407 321 G N -0.336 108.273 108.800 -0.319 0.000 2.623 321 G HA2 -0.088 3.872 3.960 0.001 0.000 0.214 321 G HA3 -0.088 3.872 3.960 0.001 0.000 0.214 321 G C 1.417 176.160 174.900 -0.262 0.000 1.138 321 G CA 0.140 45.045 45.100 -0.325 0.000 0.794 321 G HN 0.394 nan 8.290 nan 0.000 0.535 322 E N -1.264 118.733 120.200 -0.339 0.000 2.389 322 E HA 0.116 4.467 4.350 0.001 0.000 0.199 322 E C 0.895 177.119 176.600 -0.626 0.000 0.978 322 E CA 0.366 56.460 56.400 -0.510 0.000 0.912 322 E CB 0.334 29.594 29.700 -0.732 0.000 0.907 322 E HN 0.584 nan 8.360 nan 0.000 0.494 323 Y N -0.455 119.791 120.300 -0.090 0.000 2.550 323 Y HA 0.342 4.893 4.550 0.001 0.000 0.275 323 Y C 0.756 176.623 175.900 -0.055 0.000 1.148 323 Y CA 0.169 58.242 58.100 -0.045 0.000 1.200 323 Y CB 1.167 39.576 38.460 -0.085 0.000 1.299 323 Y HN -0.031 nan 8.280 nan 0.000 0.509 324 G N 0.865 109.587 108.800 -0.131 0.000 3.338 324 G HA2 0.147 4.107 3.960 0.001 0.000 0.686 324 G HA3 0.147 4.107 3.960 0.001 0.000 0.686 324 G C 0.538 175.157 174.900 -0.468 0.000 1.053 324 G CA -0.306 44.574 45.100 -0.367 0.000 0.852 324 G HN 0.628 nan 8.290 nan 0.000 0.545 325 A N 1.224 123.655 122.820 -0.648 0.000 2.119 325 A HA 0.417 4.738 4.320 0.001 0.000 0.217 325 A C 2.461 179.838 177.584 -0.346 0.000 1.153 325 A CA 2.261 53.805 52.037 -0.822 0.000 0.692 325 A CB -0.212 18.408 19.000 -0.633 0.000 0.799 325 A HN 2.103 nan 8.150 nan 0.000 0.458 326 G N -1.695 106.912 108.800 -0.321 0.000 2.447 326 G HA2 -0.017 3.944 3.960 0.001 0.000 0.211 326 G HA3 -0.017 3.944 3.960 0.001 0.000 0.211 326 G C 1.355 176.395 174.900 0.233 0.000 1.184 326 G CA 0.605 45.737 45.100 0.054 0.000 0.813 326 G HN 0.376 nan 8.290 nan 0.000 0.540 327 Y N 0.998 121.160 120.300 -0.229 0.000 2.241 327 Y HA 0.001 4.552 4.550 0.001 0.000 0.286 327 Y C 2.799 178.739 175.900 0.067 0.000 1.166 327 Y CA 0.658 58.650 58.100 -0.180 0.000 1.203 327 Y CB -0.286 38.065 38.460 -0.181 0.000 0.977 327 Y HN 0.164 nan 8.280 nan 0.000 0.529 328 M N -1.470 118.245 119.600 0.191 0.000 2.495 328 M HA 0.031 4.511 4.480 0.001 0.000 0.237 328 M C 0.848 177.339 176.300 0.318 0.000 1.131 328 M CA 0.163 55.586 55.300 0.204 0.000 1.032 328 M CB -0.079 32.603 32.600 0.136 0.000 1.513 328 M HN -0.172 nan 8.290 nan 0.000 0.488 329 T N 2.479 117.254 114.554 0.368 0.000 2.946 329 T HA 0.048 4.398 4.350 0.001 0.000 0.311 329 T C 0.158 175.032 174.700 0.291 0.000 1.063 329 T CA 0.174 62.517 62.100 0.405 0.000 1.139 329 T CB 0.222 69.391 68.868 0.501 0.000 0.994 329 T HN 0.234 nan 8.240 nan 0.000 0.547 330 N N 5.009 123.852 118.700 0.238 0.000 2.479 330 N HA 0.356 5.097 4.740 0.001 0.000 0.285 330 N C -2.691 172.887 175.510 0.114 0.000 1.075 330 N CA -1.895 51.249 53.050 0.157 0.000 0.967 330 N CB 1.097 39.660 38.487 0.126 0.000 1.137 330 N HN 0.340 nan 8.380 nan 0.000 0.472 331 P HA 0.117 nan 4.420 nan 0.000 0.276 331 P C 0.622 177.936 177.300 0.024 0.000 1.253 331 P CA -0.424 62.689 63.100 0.021 0.000 0.766 331 P CB 0.690 32.385 31.700 -0.008 0.000 0.845 332 L N 2.485 123.735 121.223 0.045 0.000 2.141 332 L HA -0.105 4.236 4.340 0.001 0.000 0.209 332 L C 2.355 179.259 176.870 0.056 0.000 1.094 332 L CA 1.571 56.474 54.840 0.106 0.000 0.763 332 L CB -1.870 40.353 42.059 0.272 0.000 0.908 332 L HN 0.360 nan 8.230 nan 0.000 0.437 333 S N -0.220 115.394 115.700 -0.144 0.000 2.427 333 S HA -0.261 4.209 4.470 0.001 0.000 0.231 333 S C 2.093 176.663 174.600 -0.049 0.000 1.045 333 S CA 1.777 59.859 58.200 -0.197 0.000 1.154 333 S CB -0.479 62.502 63.200 -0.364 0.000 1.093 333 S HN 0.351 nan 8.310 nan 0.000 0.422 334 L N 0.638 121.831 121.223 -0.050 0.000 2.010 334 L HA -0.204 4.137 4.340 0.001 0.000 0.219 334 L C 2.571 179.449 176.870 0.014 0.000 1.077 334 L CA 1.989 56.821 54.840 -0.013 0.000 0.773 334 L CB -1.289 40.766 42.059 -0.006 0.000 0.892 334 L HN 0.622 nan 8.230 nan 0.000 0.436 335 G N -2.244 106.572 108.800 0.026 0.000 2.535 335 G HA2 -0.221 3.740 3.960 0.001 0.000 0.218 335 G HA3 -0.221 3.740 3.960 0.001 0.000 0.218 335 G C 0.971 175.891 174.900 0.034 0.000 1.122 335 G CA 0.626 45.746 45.100 0.034 0.000 0.769 335 G HN 0.702 nan 8.290 nan 0.000 0.549 336 C N -0.331 118.993 119.300 0.040 0.000 4.550 336 C HA -0.160 4.300 4.460 0.001 0.000 0.282 336 C C 1.504 176.519 174.990 0.042 0.000 1.290 336 C CA 0.001 59.042 59.018 0.039 0.000 1.964 336 C CB -2.409 25.347 27.740 0.025 0.000 1.284 336 C HN 0.619 nan 8.230 nan 0.000 0.758 337 D N 0.297 120.733 120.400 0.060 0.000 2.097 337 D HA -0.029 4.612 4.640 0.001 0.000 0.195 337 D C 0.852 177.193 176.300 0.068 0.000 0.989 337 D CA 1.638 55.681 54.000 0.072 0.000 0.827 337 D CB -0.016 40.839 40.800 0.090 0.000 0.966 337 D HN 0.707 nan 8.370 nan 0.000 0.456 338 C N 1.484 120.810 119.300 0.043 0.000 2.251 338 C HA 0.461 4.921 4.460 0.001 0.000 0.323 338 C C 0.198 175.100 174.990 -0.147 0.000 1.241 338 C CA -1.628 57.337 59.018 -0.089 0.000 1.601 338 C CB -0.141 27.503 27.740 -0.159 0.000 2.251 338 C HN 0.088 nan 8.230 nan 0.000 0.488 339 K N 2.632 122.935 120.400 -0.161 0.000 2.227 339 K HA 0.595 4.916 4.320 0.001 0.000 0.280 339 K C 0.655 177.181 176.600 -0.123 0.000 1.041 339 K CA 0.876 57.106 56.287 -0.094 0.000 0.905 339 K CB 0.381 32.868 32.500 -0.022 0.000 1.068 339 K HN 1.153 nan 8.250 nan 0.000 0.470 340 G N 1.084 109.848 108.800 -0.059 0.000 2.352 340 G HA2 -0.181 3.780 3.960 0.001 0.000 0.324 340 G HA3 -0.181 3.780 3.960 0.001 0.000 0.324 340 G C -1.167 173.732 174.900 -0.001 0.000 1.249 340 G CA -0.635 44.460 45.100 -0.008 0.000 1.053 340 G HN 0.422 nan 8.290 nan 0.000 0.492 341 V N 2.267 122.213 119.914 0.053 0.000 2.364 341 V HA 0.289 4.409 4.120 0.001 0.000 0.252 341 V C 0.801 176.954 176.094 0.098 0.000 1.075 341 V CA -0.146 62.196 62.300 0.070 0.000 1.033 341 V CB -0.311 31.557 31.823 0.076 0.000 1.116 341 V HN 0.526 nan 8.190 nan 0.000 0.488 342 I N 3.889 124.469 120.570 0.016 0.000 2.566 342 I HA 0.435 4.605 4.170 0.001 0.000 0.303 342 I C 0.105 176.195 176.117 -0.046 0.000 0.983 342 I CA -0.302 60.934 61.300 -0.106 0.000 1.235 342 I CB 1.239 38.984 38.000 -0.424 0.000 1.386 342 I HN 0.512 nan 8.210 nan 0.000 0.494 343 H N 5.432 124.396 119.070 -0.176 0.000 2.727 343 H HA 0.418 4.975 4.556 0.001 0.000 0.330 343 H C -1.587 173.606 175.328 -0.225 0.000 0.986 343 H CA -0.381 55.641 56.048 -0.044 0.000 1.251 343 H CB 0.933 30.796 29.762 0.168 0.000 1.493 343 H HN 0.375 nan 8.280 nan 0.000 0.515 344 Y N 3.513 123.879 120.300 0.110 0.000 2.488 344 Y HA 0.455 5.005 4.550 0.001 0.000 0.325 344 Y C 0.175 176.128 175.900 0.088 0.000 1.204 344 Y CA -0.717 57.433 58.100 0.084 0.000 1.229 344 Y CB 1.635 40.089 38.460 -0.010 0.000 1.274 344 Y HN 0.381 nan 8.280 nan 0.000 0.493 345 L N 1.393 122.726 121.223 0.183 0.000 2.388 345 L HA 0.441 4.781 4.340 0.001 0.000 0.264 345 L C -1.254 175.551 176.870 -0.107 0.000 0.998 345 L CA -0.986 53.869 54.840 0.024 0.000 0.817 345 L CB 2.225 44.258 42.059 -0.043 0.000 1.338 345 L HN 0.583 nan 8.230 nan 0.000 0.414 346 D N 0.855 121.141 120.400 -0.189 0.000 2.326 346 D HA 0.727 5.367 4.640 0.001 0.000 0.248 346 D C -0.565 175.367 176.300 -0.613 0.000 1.001 346 D CA -0.149 53.647 54.000 -0.340 0.000 0.961 346 D CB 2.290 42.935 40.800 -0.258 0.000 1.183 346 D HN 0.577 nan 8.370 nan 0.000 0.502 347 A N 0.977 123.344 122.820 -0.756 0.000 2.365 347 A HA 0.636 4.957 4.320 0.001 0.000 0.318 347 A C -1.193 175.773 177.584 -1.031 0.000 1.091 347 A CA -0.659 50.868 52.037 -0.851 0.000 0.763 347 A CB 1.099 19.655 19.000 -0.740 0.000 1.248 347 A HN 0.565 nan 8.150 nan 0.000 0.442 348 H N 1.597 120.393 119.070 -0.457 0.000 2.689 348 H HA 0.636 5.193 4.556 0.001 0.000 0.346 348 H C -1.338 173.862 175.328 -0.214 0.000 1.037 348 H CA -0.319 55.518 56.048 -0.352 0.000 1.234 348 H CB 1.149 30.848 29.762 -0.106 0.000 1.572 348 H HN 0.527 nan 8.280 nan 0.000 0.524 349 F N 0.099 120.219 119.950 0.282 0.000 2.790 349 F HA 0.539 5.067 4.527 0.001 0.000 0.386 349 F C 0.830 176.736 175.800 0.177 0.000 1.206 349 F CA -1.196 56.967 58.000 0.272 0.000 1.109 349 F CB 0.600 39.855 39.000 0.426 0.000 1.469 349 F HN 0.360 nan 8.300 nan 0.000 0.513 350 S N -0.408 115.522 115.700 0.384 0.000 2.566 350 S HA 0.600 5.070 4.470 0.001 0.000 0.298 350 S C -1.416 173.281 174.600 0.162 0.000 1.083 350 S CA -0.732 57.569 58.200 0.169 0.000 0.978 350 S CB 1.052 64.281 63.200 0.048 0.000 1.073 350 S HN 0.593 nan 8.310 nan 0.000 0.491 351 D N 1.772 122.227 120.400 0.092 0.000 2.478 351 D HA 0.347 4.987 4.640 0.001 0.000 0.263 351 D C 1.156 177.516 176.300 0.099 0.000 1.153 351 D CA -0.775 53.272 54.000 0.078 0.000 1.038 351 D CB 0.314 41.150 40.800 0.060 0.000 1.120 351 D HN 0.538 nan 8.370 nan 0.000 0.564 352 R N -0.593 119.959 120.500 0.087 0.000 2.133 352 R HA -0.186 4.154 4.340 0.001 0.000 0.247 352 R C 1.781 178.201 176.300 0.200 0.000 1.151 352 R CA 1.729 57.903 56.100 0.123 0.000 0.971 352 R CB -0.531 29.807 30.300 0.064 0.000 0.866 352 R HN 0.615 nan 8.270 nan 0.000 0.447 353 A N -1.025 121.880 122.820 0.142 0.000 2.167 353 A HA 0.139 4.459 4.320 0.001 0.000 0.214 353 A C 1.387 179.042 177.584 0.119 0.000 1.151 353 A CA 1.088 53.212 52.037 0.145 0.000 0.735 353 A CB 0.078 19.121 19.000 0.072 0.000 0.802 353 A HN 0.534 nan 8.150 nan 0.000 0.467 354 G N -0.901 107.884 108.800 -0.025 0.000 2.159 354 G HA2 -0.153 3.807 3.960 0.001 0.000 0.227 354 G HA3 -0.153 3.807 3.960 0.001 0.000 0.227 354 G C -0.498 174.252 174.900 -0.251 0.000 0.986 354 G CA 0.102 44.931 45.100 -0.451 0.000 0.651 354 G HN 0.450 nan 8.290 nan 0.000 0.523 355 D N 1.534 121.876 120.400 -0.096 0.000 2.177 355 D HA 0.483 5.124 4.640 0.001 0.000 0.247 355 D C -2.329 173.958 176.300 -0.022 0.000 1.063 355 D CA -1.306 52.661 54.000 -0.055 0.000 0.867 355 D CB 1.555 42.345 40.800 -0.017 0.000 1.168 355 D HN 0.045 nan 8.370 nan 0.000 0.445 356 P HA 0.113 nan 4.420 nan 0.000 0.266 356 P C -0.381 176.945 177.300 0.043 0.000 1.195 356 P CA 0.080 63.187 63.100 0.012 0.000 0.768 356 P CB 0.434 32.112 31.700 -0.036 0.000 0.838 357 I N -1.544 119.083 120.570 0.096 0.000 2.689 357 I HA 0.668 4.838 4.170 0.001 0.000 0.299 357 I C -0.744 175.418 176.117 0.075 0.000 1.059 357 I CA -0.693 60.665 61.300 0.097 0.000 1.055 357 I CB 2.597 40.687 38.000 0.150 0.000 1.243 357 I HN 0.052 nan 8.210 nan 0.000 0.425 358 T N 3.880 118.469 114.554 0.057 0.000 2.876 358 T HA 0.492 4.842 4.350 0.001 0.000 0.289 358 T C -0.873 173.792 174.700 -0.059 0.000 1.014 358 T CA -0.598 61.519 62.100 0.029 0.000 0.986 358 T CB 2.277 71.230 68.868 0.141 0.000 1.021 358 T HN 0.610 nan 8.240 nan 0.000 0.458 359 V N 4.284 124.090 119.914 -0.180 0.000 2.376 359 V HA 0.494 4.615 4.120 0.001 0.000 0.287 359 V C -0.429 175.571 176.094 -0.157 0.000 1.015 359 V CA -0.856 61.380 62.300 -0.106 0.000 0.834 359 V CB 0.798 32.603 31.823 -0.030 0.000 1.001 359 V HN 0.729 nan 8.190 nan 0.000 0.428 360 K N 4.789 125.127 120.400 -0.103 0.000 2.326 360 K HA 0.255 4.575 4.320 0.001 0.000 0.275 360 K C 0.361 176.882 176.600 -0.132 0.000 1.018 360 K CA 0.317 56.532 56.287 -0.120 0.000 0.962 360 K CB 0.142 32.581 32.500 -0.102 0.000 0.953 360 K HN 0.946 nan 8.250 nan 0.000 0.475 361 N N 0.634 119.254 118.700 -0.133 0.000 2.671 361 N HA -0.252 4.489 4.740 0.001 0.000 0.261 361 N C 0.234 175.741 175.510 -0.004 0.000 1.053 361 N CA 0.284 53.298 53.050 -0.060 0.000 0.732 361 N CB -0.699 37.565 38.487 -0.372 0.000 0.887 361 N HN 0.764 nan 8.380 nan 0.000 0.546 362 A N -0.328 122.430 122.820 -0.102 0.000 1.984 362 A HA 0.252 4.573 4.320 0.001 0.000 0.214 362 A C 0.822 178.354 177.584 -0.086 0.000 1.173 362 A CA 0.916 52.852 52.037 -0.168 0.000 0.673 362 A CB 0.755 19.443 19.000 -0.520 0.000 0.830 362 A HN 0.218 nan 8.150 nan 0.000 0.453 363 V N -0.160 119.713 119.914 -0.068 0.000 2.604 363 V HA 0.441 4.561 4.120 0.001 0.000 0.305 363 V C -0.385 175.767 176.094 0.097 0.000 1.043 363 V CA -0.767 61.553 62.300 0.033 0.000 0.888 363 V CB 1.165 32.978 31.823 -0.017 0.000 0.995 363 V HN 0.557 nan 8.190 nan 0.000 0.429 364 C N 5.570 124.906 119.300 0.060 0.000 2.441 364 C HA 0.865 5.326 4.460 0.001 0.000 0.318 364 C C -0.670 174.292 174.990 -0.047 0.000 1.222 364 C CA -0.653 58.297 59.018 -0.115 0.000 1.474 364 C CB -0.252 27.401 27.740 -0.146 0.000 2.125 364 C HN 0.772 nan 8.230 nan 0.000 0.479 365 I N 6.454 126.955 120.570 -0.115 0.000 2.530 365 I HA 0.710 4.881 4.170 0.001 0.000 0.297 365 I C -0.026 176.068 176.117 -0.038 0.000 1.011 365 I CA -0.010 61.203 61.300 -0.145 0.000 1.107 365 I CB 1.760 39.551 38.000 -0.348 0.000 1.285 365 I HN 0.994 nan 8.210 nan 0.000 0.436 366 H N 3.580 122.459 119.070 -0.320 0.000 2.951 366 H HA 0.317 4.874 4.556 0.001 0.000 0.292 366 H C -2.139 173.120 175.328 -0.114 0.000 1.412 366 H CA -1.119 54.869 56.048 -0.101 0.000 1.206 366 H CB 0.878 30.645 29.762 0.008 0.000 1.862 366 H HN 0.660 nan 8.280 nan 0.000 0.502 367 E N 1.505 121.727 120.200 0.037 0.000 2.207 367 E HA 0.616 4.966 4.350 0.001 0.000 0.270 367 E C -0.952 175.662 176.600 0.023 0.000 0.927 367 E CA -0.916 55.444 56.400 -0.067 0.000 0.799 367 E CB 2.742 32.542 29.700 0.167 0.000 1.172 367 E HN 0.648 nan 8.360 nan 0.000 0.404 368 E N 1.397 121.580 120.200 -0.029 0.000 2.410 368 E HA 0.262 4.613 4.350 0.001 0.000 0.269 368 E C -1.060 175.575 176.600 0.057 0.000 0.937 368 E CA -1.052 55.369 56.400 0.035 0.000 0.793 368 E CB 1.511 31.207 29.700 -0.007 0.000 1.314 368 E HN 0.446 nan 8.360 nan 0.000 0.447 369 D N 0.819 121.251 120.400 0.054 0.000 2.382 369 D HA 0.075 4.715 4.640 0.001 0.000 0.245 369 D C -0.623 175.693 176.300 0.027 0.000 1.120 369 D CA 0.468 54.496 54.000 0.048 0.000 0.890 369 D CB 1.000 41.821 40.800 0.035 0.000 1.201 369 D HN 0.327 nan 8.370 nan 0.000 0.433 370 D N 0.919 121.337 120.400 0.030 0.000 2.819 370 D HA 0.286 4.926 4.640 0.001 0.000 0.326 370 D C 0.795 177.097 176.300 0.004 0.000 1.408 370 D CA 0.036 54.045 54.000 0.014 0.000 0.811 370 D CB 0.019 40.839 40.800 0.033 0.000 1.148 370 D HN 0.656 nan 8.370 nan 0.000 0.457 371 G N 0.470 109.269 108.800 -0.002 0.000 2.547 371 G HA2 -0.283 3.677 3.960 0.001 0.000 0.271 371 G HA3 -0.283 3.677 3.960 0.001 0.000 0.271 371 G C -0.235 174.648 174.900 -0.027 0.000 1.209 371 G CA -0.061 45.032 45.100 -0.013 0.000 0.959 371 G HN 0.293 nan 8.290 nan 0.000 0.563 372 L N 0.617 121.821 121.223 -0.033 0.000 2.350 372 L HA 0.445 4.786 4.340 0.001 0.000 0.275 372 L C 1.614 178.433 176.870 -0.084 0.000 1.099 372 L CA -0.732 54.071 54.840 -0.062 0.000 0.808 372 L CB 1.349 43.388 42.059 -0.033 0.000 1.149 372 L HN 0.558 nan 8.230 nan 0.000 0.442 373 L N 3.811 124.904 121.223 -0.217 0.000 2.168 373 L HA 0.260 4.601 4.340 0.001 0.000 0.203 373 L C -0.188 176.602 176.870 -0.134 0.000 1.078 373 L CA 1.312 55.987 54.840 -0.274 0.000 0.780 373 L CB 0.219 41.913 42.059 -0.610 0.000 0.939 373 L HN 0.577 nan 8.230 nan 0.000 0.451 374 F N -2.644 117.325 119.950 0.032 0.000 2.799 374 F HA 0.561 5.088 4.527 0.001 0.000 0.316 374 F C -0.790 175.037 175.800 0.045 0.000 1.155 374 F CA -1.748 56.273 58.000 0.033 0.000 0.916 374 F CB 0.547 39.563 39.000 0.028 0.000 1.294 374 F HN -0.155 nan 8.300 nan 0.000 0.447 375 K N 0.717 121.327 120.400 0.349 0.000 2.610 375 K HA 0.611 4.932 4.320 0.001 0.000 0.278 375 K C -2.605 174.142 176.600 0.244 0.000 0.964 375 K CA -0.818 55.617 56.287 0.248 0.000 0.859 375 K CB 2.387 34.959 32.500 0.120 0.000 1.434 375 K HN 1.151 nan 8.250 nan 0.000 0.410 376 H N 0.204 119.336 119.070 0.104 0.000 3.137 376 H HA 0.430 4.986 4.556 0.001 0.000 0.336 376 H C -2.010 173.373 175.328 0.091 0.000 1.055 376 H CA -0.238 55.855 56.048 0.075 0.000 1.349 376 H CB 1.824 31.625 29.762 0.065 0.000 1.939 376 H HN 0.559 nan 8.280 nan 0.000 0.487 377 S N 3.418 118.762 115.700 -0.593 0.000 2.566 377 S HA 0.249 4.719 4.470 0.001 0.000 0.298 377 S C -1.094 173.357 174.600 -0.249 0.000 1.083 377 S CA -0.951 57.099 58.200 -0.250 0.000 0.978 377 S CB 1.689 64.886 63.200 -0.004 0.000 1.073 377 S HN 0.666 nan 8.310 nan 0.000 0.491 378 D N 1.298 121.696 120.400 -0.002 0.000 2.249 378 D HA 0.236 4.877 4.640 0.001 0.000 0.246 378 D C 0.744 177.049 176.300 0.008 0.000 1.114 378 D CA -0.742 53.247 54.000 -0.019 0.000 0.854 378 D CB 0.647 41.391 40.800 -0.094 0.000 1.132 378 D HN 0.458 nan 8.370 nan 0.000 0.461 379 F N 3.300 123.284 119.950 0.057 0.000 2.407 379 F HA 0.119 4.646 4.527 0.001 0.000 0.299 379 F C 1.880 177.539 175.800 -0.235 0.000 1.097 379 F CA 0.213 58.089 58.000 -0.207 0.000 1.422 379 F CB -0.314 38.667 39.000 -0.031 0.000 1.067 379 F HN 0.205 nan 8.300 nan 0.000 0.539 380 R N 1.008 121.007 120.500 -0.835 0.000 2.105 380 R HA -0.151 4.189 4.340 0.001 0.000 0.239 380 R C 0.515 176.666 176.300 -0.248 0.000 1.135 380 R CA 1.714 57.492 56.100 -0.536 0.000 0.967 380 R CB -0.718 29.244 30.300 -0.563 0.000 0.861 380 R HN 0.528 nan 8.270 nan 0.000 0.442 381 D N -1.495 118.773 120.400 -0.219 0.000 2.755 381 D HA 0.011 4.651 4.640 0.001 0.000 0.257 381 D C -0.530 175.675 176.300 -0.159 0.000 1.291 381 D CA -0.414 53.503 54.000 -0.140 0.000 0.836 381 D CB -0.657 40.091 40.800 -0.087 0.000 1.059 381 D HN 0.120 nan 8.370 nan 0.000 0.486 382 N N 1.110 119.638 118.700 -0.287 0.000 2.727 382 N HA -0.281 4.460 4.740 0.001 0.000 0.249 382 N C -0.679 174.578 175.510 -0.422 0.000 1.048 382 N CA 0.387 53.154 53.050 -0.472 0.000 0.714 382 N CB -0.837 37.509 38.487 -0.236 0.000 0.959 382 N HN 0.238 nan 8.380 nan 0.000 0.544 383 F N -4.606 115.349 119.950 0.008 0.000 2.884 383 F HA -0.318 4.209 4.527 0.001 0.000 0.294 383 F C 1.664 177.473 175.800 0.015 0.000 0.723 383 F CA 0.796 58.794 58.000 -0.003 0.000 1.294 383 F CB -2.212 36.789 39.000 0.001 0.000 1.551 383 F HN 0.299 nan 8.300 nan 0.000 0.363 384 A N -0.931 121.955 122.820 0.110 0.000 1.855 384 A HA -0.047 4.273 4.320 0.001 0.000 0.215 384 A C 1.490 179.151 177.584 0.128 0.000 1.191 384 A CA 1.932 54.034 52.037 0.107 0.000 0.613 384 A CB -0.617 18.410 19.000 0.045 0.000 0.829 384 A HN 0.348 nan 8.150 nan 0.000 0.442 385 T N 1.189 115.789 114.554 0.077 0.000 2.761 385 T HA 0.413 4.764 4.350 0.001 0.000 0.287 385 T C -0.177 174.586 174.700 0.105 0.000 0.931 385 T CA 0.839 62.978 62.100 0.066 0.000 1.164 385 T CB -0.116 68.765 68.868 0.021 0.000 0.876 385 T HN 0.434 nan 8.240 nan 0.000 0.534 386 S N 3.644 119.425 115.700 0.134 0.000 2.552 386 S HA 0.704 5.175 4.470 0.001 0.000 0.272 386 S C -1.896 172.808 174.600 0.173 0.000 1.150 386 S CA -0.928 57.369 58.200 0.162 0.000 0.849 386 S CB 1.176 64.507 63.200 0.217 0.000 1.113 386 S HN 0.644 nan 8.310 nan 0.000 0.458 387 L N 3.709 125.038 121.223 0.176 0.000 2.436 387 L HA 0.883 5.224 4.340 0.001 0.000 0.268 387 L C -1.825 175.174 176.870 0.215 0.000 0.974 387 L CA -0.472 54.475 54.840 0.178 0.000 0.826 387 L CB 1.849 44.003 42.059 0.158 0.000 1.291 387 L HN 0.580 nan 8.230 nan 0.000 0.406 388 V N 2.888 122.924 119.914 0.202 0.000 2.623 388 V HA 0.602 4.722 4.120 0.001 0.000 0.304 388 V C -0.540 175.588 176.094 0.056 0.000 1.054 388 V CA -0.400 61.983 62.300 0.138 0.000 0.882 388 V CB 2.173 34.066 31.823 0.116 0.000 1.002 388 V HN 0.786 nan 8.190 nan 0.000 0.424 389 T N 4.825 119.319 114.554 -0.100 0.000 2.840 389 T HA 0.498 4.849 4.350 0.001 0.000 0.287 389 T C -0.174 174.330 174.700 -0.327 0.000 0.991 389 T CA -0.653 61.284 62.100 -0.271 0.000 0.964 389 T CB 1.287 69.801 68.868 -0.591 0.000 0.954 389 T HN 0.521 nan 8.240 nan 0.000 0.438 390 R N 1.387 121.780 120.500 -0.177 0.000 2.531 390 R HA 0.731 5.072 4.340 0.001 0.000 0.273 390 R C -0.017 176.206 176.300 -0.127 0.000 1.070 390 R CA -0.596 55.429 56.100 -0.125 0.000 1.112 390 R CB 0.956 31.226 30.300 -0.049 0.000 1.049 390 R HN 0.688 nan 8.270 nan 0.000 0.508 391 A N 0.886 123.661 122.820 -0.075 0.000 2.312 391 A HA 0.501 4.821 4.320 0.001 0.000 0.328 391 A C -0.378 177.245 177.584 0.064 0.000 1.158 391 A CA -0.423 51.604 52.037 -0.016 0.000 0.821 391 A CB 1.752 20.749 19.000 -0.005 0.000 1.170 391 A HN 0.598 nan 8.150 nan 0.000 0.490 392 T N 0.700 115.348 114.554 0.156 0.000 2.916 392 T HA 0.599 4.949 4.350 0.001 0.000 0.298 392 T C -0.821 174.115 174.700 0.393 0.000 1.031 392 T CA -0.715 61.526 62.100 0.234 0.000 0.993 392 T CB 0.731 69.758 68.868 0.266 0.000 1.045 392 T HN 0.875 nan 8.240 nan 0.000 0.454 393 K N 3.931 124.461 120.400 0.216 0.000 2.267 393 K HA 0.689 5.010 4.320 0.001 0.000 0.246 393 K C -0.966 175.463 176.600 -0.285 0.000 0.954 393 K CA -1.197 55.145 56.287 0.091 0.000 0.824 393 K CB 1.912 34.420 32.500 0.013 0.000 1.167 393 K HN 0.462 nan 8.250 nan 0.000 0.431 394 L N 2.884 123.676 121.223 -0.718 0.000 2.289 394 L HA 0.407 4.748 4.340 0.001 0.000 0.285 394 L C -1.245 175.372 176.870 -0.422 0.000 1.049 394 L CA -0.961 53.334 54.840 -0.909 0.000 0.804 394 L CB 1.679 42.876 42.059 -1.436 0.000 1.195 394 L HN 0.546 nan 8.230 nan 0.000 0.428 395 V N 5.471 125.127 119.914 -0.429 0.000 2.444 395 V HA 0.351 4.471 4.120 0.001 0.000 0.294 395 V C -0.208 175.827 176.094 -0.099 0.000 1.022 395 V CA -0.661 61.508 62.300 -0.219 0.000 0.850 395 V CB 2.014 33.661 31.823 -0.294 0.000 0.992 395 V HN 0.452 nan 8.190 nan 0.000 0.426 396 V N 3.908 123.877 119.914 0.092 0.000 2.313 396 V HA 0.598 4.719 4.120 0.001 0.000 0.278 396 V C 0.185 176.426 176.094 0.245 0.000 1.017 396 V CA -0.024 62.361 62.300 0.141 0.000 0.823 396 V CB 1.343 33.286 31.823 0.200 0.000 1.010 396 V HN 0.885 nan 8.190 nan 0.000 0.443 397 S N 4.289 120.094 115.700 0.175 0.000 2.638 397 S HA 0.889 5.359 4.470 0.001 0.000 0.302 397 S C -0.918 173.747 174.600 0.108 0.000 1.096 397 S CA -0.530 57.730 58.200 0.100 0.000 0.953 397 S CB 2.140 65.371 63.200 0.052 0.000 1.107 397 S HN 0.925 nan 8.310 nan 0.000 0.503 398 Q N 1.471 121.300 119.800 0.048 0.000 2.482 398 Q HA 0.693 5.033 4.340 0.001 0.000 0.286 398 Q C -1.913 174.116 176.000 0.048 0.000 1.007 398 Q CA -0.897 54.995 55.803 0.148 0.000 0.801 398 Q CB 1.293 30.242 28.738 0.352 0.000 1.455 398 Q HN 0.648 nan 8.270 nan 0.000 0.398 399 I N 2.810 123.449 120.570 0.114 0.000 2.548 399 I HA 0.477 4.648 4.170 0.001 0.000 0.287 399 I C -1.244 174.981 176.117 0.180 0.000 1.103 399 I CA -0.852 60.475 61.300 0.045 0.000 1.049 399 I CB 1.500 39.502 38.000 0.003 0.000 1.232 399 I HN 0.687 nan 8.210 nan 0.000 0.429 400 F N 3.378 123.415 119.950 0.145 0.000 2.538 400 F HA 0.792 5.320 4.527 0.001 0.000 0.325 400 F C -0.511 175.392 175.800 0.171 0.000 1.066 400 F CA -0.848 57.250 58.000 0.164 0.000 0.946 400 F CB 1.452 40.552 39.000 0.167 0.000 1.199 400 F HN 0.148 nan 8.300 nan 0.000 0.473 401 T N 2.666 117.479 114.554 0.432 0.000 2.770 401 T HA 0.665 5.016 4.350 0.001 0.000 0.283 401 T C -0.316 174.573 174.700 0.314 0.000 0.988 401 T CA -0.392 61.872 62.100 0.273 0.000 0.957 401 T CB 1.022 69.987 68.868 0.161 0.000 0.930 401 T HN 0.904 nan 8.240 nan 0.000 0.443 402 A N 2.958 125.949 122.820 0.285 0.000 2.801 402 A HA 0.756 5.076 4.320 0.001 0.000 0.344 402 A C 1.206 178.777 177.584 -0.021 0.000 1.322 402 A CA 0.050 52.158 52.037 0.117 0.000 0.913 402 A CB -0.983 18.168 19.000 0.252 0.000 1.140 402 A HN 1.442 nan 8.150 nan 0.000 0.487 403 A N 1.981 124.780 122.820 -0.035 0.000 4.974 403 A HA -0.308 4.013 4.320 0.001 0.000 0.339 403 A C 1.009 178.651 177.584 0.098 0.000 1.785 403 A CA 1.653 53.713 52.037 0.038 0.000 0.707 403 A CB -2.078 16.927 19.000 0.008 0.000 1.430 403 A HN 1.451 nan 8.150 nan 0.000 0.398 407 Y N 0.217 120.196 120.300 -0.535 0.000 2.345 407 Y HA 0.353 4.903 4.550 0.001 0.000 0.331 407 Y C -0.122 175.501 175.900 -0.463 0.000 0.959 407 Y CA -0.681 57.083 58.100 -0.561 0.000 1.204 407 Y CB 1.342 39.201 38.460 -1.002 0.000 1.135 407 Y HN 0.504 nan 8.280 nan 0.000 0.477 408 C N 5.730 124.907 119.300 -0.205 0.000 2.265 408 C HA 0.592 5.053 4.460 0.001 0.000 0.332 408 C C 0.053 174.788 174.990 -0.426 0.000 1.248 408 C CA -1.234 57.614 59.018 -0.283 0.000 1.727 408 C CB -1.197 26.456 27.740 -0.144 0.000 2.348 408 C HN 0.626 nan 8.230 nan 0.000 0.519 409 L N 3.559 124.472 121.223 -0.517 0.000 2.317 409 L HA 0.544 4.885 4.340 0.001 0.000 0.281 409 L C -1.056 175.389 176.870 -0.708 0.000 1.024 409 L CA -0.480 54.077 54.840 -0.471 0.000 0.810 409 L CB 0.761 42.720 42.059 -0.166 0.000 1.240 409 L HN 0.615 nan 8.230 nan 0.000 0.427 410 Y N 0.501 120.635 120.300 -0.277 0.000 2.349 410 Y HA 0.288 4.839 4.550 0.001 0.000 0.324 410 Y C -0.915 174.781 175.900 -0.340 0.000 1.005 410 Y CA -0.709 57.270 58.100 -0.201 0.000 1.240 410 Y CB 0.986 39.361 38.460 -0.143 0.000 1.117 410 Y HN 0.471 nan 8.280 nan 0.000 0.463 411 W N 3.739 125.059 121.300 0.034 0.000 2.358 411 W HA 0.613 5.273 4.660 0.001 0.000 0.307 411 W C -0.808 175.661 176.519 -0.083 0.000 1.203 411 W CA -0.678 56.622 57.345 -0.074 0.000 1.279 411 W CB 1.005 30.436 29.460 -0.047 0.000 1.264 411 W HN 0.142 nan 8.180 nan 0.000 0.474 412 V N 5.181 125.060 119.914 -0.059 0.000 2.495 412 V HA 0.447 4.568 4.120 0.001 0.000 0.298 412 V C -0.549 175.379 176.094 -0.276 0.000 1.031 412 V CA -1.131 61.110 62.300 -0.100 0.000 0.871 412 V CB 0.882 32.637 31.823 -0.113 0.000 0.988 412 V HN 0.186 nan 8.190 nan 0.000 0.432 413 F N 4.124 123.953 119.950 -0.203 0.000 2.469 413 F HA 0.743 5.270 4.527 0.001 0.000 0.332 413 F C 0.273 176.182 175.800 0.182 0.000 1.103 413 F CA -0.487 57.421 58.000 -0.152 0.000 0.979 413 F CB 1.866 40.653 39.000 -0.355 0.000 1.137 413 F HN 0.289 nan 8.300 nan 0.000 0.463 414 M N 1.738 121.665 119.600 0.546 0.000 2.716 414 M HA 0.321 4.801 4.480 0.001 0.000 0.307 414 M C 0.553 177.247 176.300 0.656 0.000 1.223 414 M CA -0.574 55.067 55.300 0.568 0.000 0.871 414 M CB 2.158 34.932 32.600 0.291 0.000 1.739 414 M HN 0.573 nan 8.290 nan 0.000 0.475 415 Q N 0.609 120.662 119.800 0.421 0.000 2.482 415 Q HA -0.084 4.256 4.340 0.001 0.000 0.209 415 Q C 0.004 176.095 176.000 0.151 0.000 0.961 415 Q CA 0.566 56.498 55.803 0.215 0.000 0.945 415 Q CB -0.096 28.690 28.738 0.080 0.000 1.012 415 Q HN 0.593 nan 8.270 nan 0.000 0.515 416 D N -1.591 118.915 120.400 0.178 0.000 2.395 416 D HA 0.104 4.745 4.640 0.001 0.000 0.213 416 D C 1.115 177.442 176.300 0.044 0.000 1.110 416 D CA 0.463 54.508 54.000 0.076 0.000 0.835 416 D CB 0.383 41.242 40.800 0.098 0.000 0.965 416 D HN 0.177 nan 8.370 nan 0.000 0.505 417 G N -0.160 108.752 108.800 0.187 0.000 2.176 417 G HA2 -0.156 3.804 3.960 0.001 0.000 0.253 417 G HA3 -0.156 3.804 3.960 0.001 0.000 0.253 417 G C 0.516 175.730 174.900 0.523 0.000 0.979 417 G CA 0.087 45.345 45.100 0.263 0.000 0.641 417 G HN 0.817 nan 8.290 nan 0.000 0.530 418 A N -0.199 122.836 122.820 0.358 0.000 2.340 418 A HA 0.776 5.097 4.320 0.001 0.000 0.268 418 A C 0.167 177.874 177.584 0.204 0.000 1.100 418 A CA 0.084 52.280 52.037 0.265 0.000 0.803 418 A CB 0.487 19.563 19.000 0.126 0.000 1.043 418 A HN 0.813 nan 8.150 nan 0.000 0.488 419 I N 1.136 121.750 120.570 0.074 0.000 2.465 419 I HA 0.525 4.695 4.170 0.001 0.000 0.291 419 I C 0.188 176.203 176.117 -0.170 0.000 1.014 419 I CA -0.364 60.788 61.300 -0.247 0.000 1.093 419 I CB 1.940 39.728 38.000 -0.354 0.000 1.267 419 I HN 0.823 nan 8.210 nan 0.000 0.431 420 R N 6.271 126.626 120.500 -0.242 0.000 2.795 420 R HA 0.662 5.002 4.340 0.001 0.000 0.275 420 R C -2.028 174.109 176.300 -0.273 0.000 0.981 420 R CA -0.720 55.258 56.100 -0.204 0.000 0.917 420 R CB 2.187 32.396 30.300 -0.151 0.000 1.202 420 R HN 0.618 nan 8.270 nan 0.000 0.469 421 L N 3.913 124.926 121.223 -0.348 0.000 2.342 421 L HA 0.469 4.810 4.340 0.001 0.000 0.276 421 L C -1.531 175.102 176.870 -0.395 0.000 0.997 421 L CA -0.654 53.861 54.840 -0.542 0.000 0.838 421 L CB 1.639 43.249 42.059 -0.748 0.000 1.224 421 L HN 0.743 nan 8.230 nan 0.000 0.416 422 D N 6.018 126.246 120.400 -0.286 0.000 2.256 422 D HA 0.573 5.214 4.640 0.001 0.000 0.246 422 D C -0.353 175.918 176.300 -0.048 0.000 1.042 422 D CA -0.048 53.863 54.000 -0.148 0.000 0.841 422 D CB 2.915 43.643 40.800 -0.120 0.000 1.223 422 D HN 0.359 nan 8.370 nan 0.000 0.470 423 I N 1.153 121.684 120.570 -0.064 0.000 2.689 423 I HA 0.407 4.577 4.170 0.001 0.000 0.299 423 I C -0.123 175.986 176.117 -0.013 0.000 1.059 423 I CA -0.807 60.455 61.300 -0.064 0.000 1.055 423 I CB 2.330 40.190 38.000 -0.234 0.000 1.243 423 I HN -0.054 nan 8.210 nan 0.000 0.425 424 R N 5.717 126.228 120.500 0.018 0.000 2.483 424 R HA 0.576 4.916 4.340 0.001 0.000 0.303 424 R C -1.500 174.723 176.300 -0.128 0.000 0.987 424 R CA -0.779 55.308 56.100 -0.021 0.000 0.881 424 R CB 2.098 32.447 30.300 0.082 0.000 1.177 424 R HN 0.480 nan 8.270 nan 0.000 0.451 425 L N 2.278 123.379 121.223 -0.203 0.000 2.275 425 L HA 0.496 4.836 4.340 0.001 0.000 0.288 425 L C 0.603 177.306 176.870 -0.278 0.000 1.046 425 L CA -0.214 54.419 54.840 -0.345 0.000 0.805 425 L CB 1.564 43.360 42.059 -0.439 0.000 1.193 425 L HN 0.611 nan 8.230 nan 0.000 0.426 426 T N 1.119 115.496 114.554 -0.294 0.000 2.590 426 T HA 0.861 5.211 4.350 0.001 0.000 0.282 426 T C -0.069 174.488 174.700 -0.238 0.000 0.989 426 T CA 0.370 62.337 62.100 -0.222 0.000 1.091 426 T CB 1.652 70.413 68.868 -0.179 0.000 1.460 426 T HN 0.984 nan 8.240 nan 0.000 0.499 427 G N 0.257 108.922 108.800 -0.224 0.000 2.445 427 G HA2 0.007 3.967 3.960 0.001 0.000 0.212 427 G HA3 0.007 3.967 3.960 0.001 0.000 0.212 427 G C -1.251 173.503 174.900 -0.243 0.000 1.217 427 G CA -0.223 44.741 45.100 -0.226 0.000 1.002 427 G HN 0.914 nan 8.290 nan 0.000 0.574 428 I N 0.801 121.221 120.570 -0.250 0.000 2.608 428 I HA 0.452 4.623 4.170 0.001 0.000 0.295 428 I C 0.580 176.577 176.117 -0.200 0.000 1.049 428 I CA -0.904 60.224 61.300 -0.287 0.000 1.063 428 I CB 1.897 39.596 38.000 -0.500 0.000 1.248 428 I HN 0.505 nan 8.210 nan 0.000 0.424 429 L N 4.939 126.151 121.223 -0.019 0.000 2.490 429 L HA 0.056 4.397 4.340 0.001 0.000 0.274 429 L C 0.823 177.712 176.870 0.032 0.000 1.201 429 L CA 0.135 55.025 54.840 0.083 0.000 0.869 429 L CB -0.008 42.171 42.059 0.199 0.000 1.123 429 L HN 0.675 nan 8.230 nan 0.000 0.484 430 N N 2.270 121.024 118.700 0.089 0.000 2.475 430 N HA 0.088 4.829 4.740 0.001 0.000 0.267 430 N C -0.738 174.854 175.510 0.136 0.000 1.169 430 N CA -0.218 52.924 53.050 0.154 0.000 0.947 430 N CB 1.029 39.611 38.487 0.157 0.000 1.061 430 N HN 0.694 nan 8.380 nan 0.000 0.466 431 T N 0.835 115.537 114.554 0.248 0.000 2.907 431 T HA 0.425 4.775 4.350 0.001 0.000 0.292 431 T C -1.039 173.763 174.700 0.169 0.000 1.043 431 T CA -0.747 61.444 62.100 0.151 0.000 1.003 431 T CB 1.541 70.527 68.868 0.196 0.000 1.084 431 T HN 0.514 nan 8.240 nan 0.000 0.483 432 Y N 1.239 121.437 120.300 -0.171 0.000 2.570 432 Y HA 0.686 5.236 4.550 0.001 0.000 0.345 432 Y C -0.411 175.424 175.900 -0.107 0.000 1.014 432 Y CA -2.125 55.869 58.100 -0.177 0.000 1.063 432 Y CB 1.482 39.754 38.460 -0.314 0.000 1.272 432 Y HN 0.995 nan 8.280 nan 0.000 0.477 433 I N 4.290 124.209 120.570 -1.085 0.000 2.754 433 I HA 0.257 4.428 4.170 0.001 0.000 0.285 433 I C -1.287 174.589 176.117 -0.401 0.000 1.166 433 I CA -0.094 60.817 61.300 -0.647 0.000 1.417 433 I CB 0.450 38.084 38.000 -0.610 0.000 1.382 433 I HN 0.616 nan 8.210 nan 0.000 0.588 434 L N 7.074 128.185 121.223 -0.186 0.000 2.410 434 L HA 0.656 4.996 4.340 0.001 0.000 0.270 434 L C -0.003 176.840 176.870 -0.045 0.000 0.983 434 L CA -0.141 54.663 54.840 -0.060 0.000 0.822 434 L CB 1.559 43.593 42.059 -0.041 0.000 1.285 434 L HN 0.648 nan 8.230 nan 0.000 0.409 435 G N 2.240 111.038 108.800 -0.003 0.000 2.554 435 G HA2 0.090 4.051 3.960 0.001 0.000 0.238 435 G HA3 0.090 4.051 3.960 0.001 0.000 0.238 435 G C 0.332 175.232 174.900 -0.000 0.000 1.259 435 G CA -0.166 44.935 45.100 0.002 0.000 0.843 435 G HN 0.802 nan 8.290 nan 0.000 0.582 436 D N 0.107 120.510 120.400 0.005 0.000 2.149 436 D HA -0.094 4.546 4.640 0.001 0.000 0.194 436 D C 1.056 177.358 176.300 0.003 0.000 1.001 436 D CA 1.329 55.335 54.000 0.010 0.000 0.849 436 D CB 0.257 41.066 40.800 0.015 0.000 0.939 436 D HN 0.371 nan 8.370 nan 0.000 0.449 437 D N 0.202 120.606 120.400 0.007 0.000 2.670 437 D HA 0.058 4.699 4.640 0.001 0.000 0.255 437 D C -0.160 176.148 176.300 0.012 0.000 1.286 437 D CA -0.093 53.910 54.000 0.006 0.000 0.830 437 D CB 0.323 41.127 40.800 0.007 0.000 1.065 437 D HN 0.278 nan 8.370 nan 0.000 0.486 438 E N 1.369 121.579 120.200 0.016 0.000 2.216 438 E HA 0.180 4.530 4.350 0.001 0.000 0.279 438 E C -0.539 176.076 176.600 0.025 0.000 0.997 438 E CA -0.597 55.822 56.400 0.032 0.000 0.817 438 E CB 1.370 31.101 29.700 0.052 0.000 1.096 438 E HN -0.173 nan 8.360 nan 0.000 0.393 439 E N 2.828 123.045 120.200 0.029 0.000 2.200 439 E HA 0.262 4.612 4.350 0.001 0.000 0.283 439 E C -0.084 176.536 176.600 0.034 0.000 1.015 439 E CA -0.021 56.387 56.400 0.013 0.000 0.819 439 E CB 1.399 31.095 29.700 -0.006 0.000 1.081 439 E HN 0.549 nan 8.360 nan 0.000 0.397 440 A N 4.352 127.190 122.820 0.029 0.000 2.272 440 A HA 0.188 4.508 4.320 0.001 0.000 0.213 440 A C 1.384 178.993 177.584 0.042 0.000 1.183 440 A CA 0.933 53.011 52.037 0.068 0.000 0.719 440 A CB -1.575 17.456 19.000 0.052 0.000 0.771 440 A HN 1.105 nan 8.150 nan 0.000 0.484 441 G N -0.260 108.521 108.800 -0.031 0.000 2.606 441 G HA2 -0.275 3.685 3.960 0.001 0.000 0.285 441 G HA3 -0.275 3.685 3.960 0.001 0.000 0.285 441 G C -0.916 173.823 174.900 -0.269 0.000 1.311 441 G CA 0.232 45.232 45.100 -0.167 0.000 0.922 441 G HN 0.376 nan 8.290 nan 0.000 0.559 442 P HA 0.110 nan 4.420 nan 0.000 0.240 442 P C 1.118 178.193 177.300 -0.375 0.000 1.190 442 P CA 1.402 64.155 63.100 -0.578 0.000 0.781 442 P CB -0.080 31.107 31.700 -0.856 0.000 0.931 443 W N 0.441 121.783 121.300 0.071 0.000 3.003 443 W HA 0.399 5.059 4.660 0.001 0.000 0.257 443 W C 1.057 177.661 176.519 0.142 0.000 1.308 443 W CA -0.028 57.360 57.345 0.072 0.000 1.529 443 W CB 0.115 29.558 29.460 -0.029 0.000 1.115 443 W HN -0.039 nan 8.180 nan 0.000 0.659 444 G N -0.504 108.483 108.800 0.311 0.000 2.721 444 G HA2 0.562 4.523 3.960 0.001 0.000 0.296 444 G HA3 0.562 4.523 3.960 0.001 0.000 0.296 444 G C -1.417 173.584 174.900 0.169 0.000 1.383 444 G CA -0.619 44.666 45.100 0.309 0.000 0.788 444 G HN -0.278 nan 8.290 nan 0.000 0.500 445 T N -0.047 114.581 114.554 0.123 0.000 2.861 445 T HA 0.464 4.815 4.350 0.001 0.000 0.287 445 T C -0.093 174.612 174.700 0.008 0.000 1.003 445 T CA -0.644 61.492 62.100 0.061 0.000 0.977 445 T CB 1.941 70.851 68.868 0.069 0.000 0.996 445 T HN 0.554 nan 8.240 nan 0.000 0.448 446 R N 2.823 123.316 120.500 -0.012 0.000 2.325 446 R HA 0.289 4.629 4.340 0.001 0.000 0.323 446 R C 1.031 177.291 176.300 -0.065 0.000 1.177 446 R CA -0.231 55.837 56.100 -0.053 0.000 1.018 446 R CB -0.254 30.016 30.300 -0.051 0.000 1.070 446 R HN 0.585 nan 8.270 nan 0.000 0.495 447 V N 2.131 121.971 119.914 -0.123 0.000 3.541 447 V HA 0.239 4.359 4.120 0.001 0.000 0.267 447 V C -0.165 175.904 176.094 -0.041 0.000 1.213 447 V CA 0.158 62.391 62.300 -0.112 0.000 1.149 447 V CB -0.957 30.724 31.823 -0.236 0.000 0.822 447 V HN 0.674 nan 8.190 nan 0.000 0.462 448 Y N -0.680 119.458 120.300 -0.270 0.000 2.662 448 Y HA 0.586 5.136 4.550 0.001 0.000 0.334 448 Y C -3.151 172.612 175.900 -0.228 0.000 1.185 448 Y CA -2.364 55.622 58.100 -0.191 0.000 1.074 448 Y CB 1.621 39.977 38.460 -0.174 0.000 1.330 448 Y HN -0.128 nan 8.280 nan 0.000 0.458 449 P HA 0.114 nan 4.420 nan 0.000 0.262 449 P C -0.508 176.563 177.300 -0.381 0.000 1.182 449 P CA 1.099 63.805 63.100 -0.657 0.000 0.761 449 P CB 0.311 31.272 31.700 -1.232 0.000 0.795 450 N N -0.440 118.137 118.700 -0.205 0.000 2.828 450 N HA -0.126 4.614 4.740 0.001 0.000 0.248 450 N C -0.733 174.700 175.510 -0.128 0.000 1.044 450 N CA 0.781 53.761 53.050 -0.118 0.000 0.851 450 N CB -1.498 36.952 38.487 -0.060 0.000 1.136 450 N HN 0.183 nan 8.380 nan 0.000 0.572 451 V N 1.034 120.869 119.914 -0.132 0.000 2.495 451 V HA 0.386 4.507 4.120 0.001 0.000 0.298 451 V C 0.320 176.323 176.094 -0.153 0.000 1.031 451 V CA -0.817 61.390 62.300 -0.154 0.000 0.871 451 V CB 2.159 33.842 31.823 -0.234 0.000 0.988 451 V HN 0.224 nan 8.190 nan 0.000 0.432 452 N N 2.766 121.387 118.700 -0.132 0.000 2.483 452 N HA 0.644 5.385 4.740 0.001 0.000 0.267 452 N C -0.545 174.875 175.510 -0.151 0.000 0.998 452 N CA -0.437 52.559 53.050 -0.091 0.000 0.918 452 N CB 1.319 39.802 38.487 -0.006 0.000 1.215 452 N HN 0.859 nan 8.380 nan 0.000 0.500 453 A N 3.420 126.190 122.820 -0.083 0.000 2.294 453 A HA 0.271 4.591 4.320 0.001 0.000 0.316 453 A C -0.597 177.060 177.584 0.121 0.000 1.359 453 A CA -0.396 51.626 52.037 -0.025 0.000 0.956 453 A CB -0.130 18.865 19.000 -0.008 0.000 1.155 453 A HN 0.836 nan 8.150 nan 0.000 0.544 454 H N 2.160 121.349 119.070 0.198 0.000 2.707 454 H HA 0.079 4.636 4.556 0.001 0.000 0.359 454 H C 0.223 175.738 175.328 0.312 0.000 1.113 454 H CA -0.512 55.694 56.048 0.262 0.000 1.422 454 H CB 0.699 30.632 29.762 0.285 0.000 1.443 454 H HN 0.670 nan 8.280 nan 0.000 0.591 455 N N 2.630 121.531 118.700 0.334 0.000 2.381 455 N HA 0.029 4.770 4.740 0.001 0.000 0.241 455 N C -0.130 175.331 175.510 -0.081 0.000 1.279 455 N CA 0.351 53.420 53.050 0.031 0.000 0.896 455 N CB 0.455 38.988 38.487 0.077 0.000 1.118 455 N HN 0.718 nan 8.380 nan 0.000 0.438 456 H N -2.344 116.472 119.070 -0.424 0.000 2.969 456 H HA 0.290 4.847 4.556 0.001 0.000 0.304 456 H C -1.529 173.529 175.328 -0.450 0.000 1.400 456 H CA -0.781 54.891 56.048 -0.628 0.000 1.182 456 H CB 0.771 29.675 29.762 -1.429 0.000 1.865 456 H HN 0.431 nan 8.280 nan 0.000 0.512 457 Q N 0.757 120.358 119.800 -0.331 0.000 2.348 457 Q HA 0.391 4.732 4.340 0.001 0.000 0.271 457 Q C -0.833 175.061 176.000 -0.176 0.000 1.067 457 Q CA -0.961 54.722 55.803 -0.200 0.000 0.839 457 Q CB 2.643 31.301 28.738 -0.133 0.000 1.354 457 Q HN 0.516 nan 8.270 nan 0.000 0.447 458 H N 1.903 120.984 119.070 0.017 0.000 2.638 458 H HA 0.428 4.985 4.556 0.001 0.000 0.317 458 H C -0.916 174.342 175.328 -0.117 0.000 1.006 458 H CA -0.277 55.769 56.048 -0.003 0.000 1.222 458 H CB 0.902 30.793 29.762 0.216 0.000 1.419 458 H HN 0.359 nan 8.280 nan 0.000 0.489 459 L N 3.822 124.906 121.223 -0.231 0.000 2.362 459 L HA 0.475 4.816 4.340 0.001 0.000 0.271 459 L C -0.896 175.714 176.870 -0.434 0.000 1.002 459 L CA -0.811 53.939 54.840 -0.151 0.000 0.818 459 L CB 1.495 43.561 42.059 0.012 0.000 1.298 459 L HN 0.329 nan 8.230 nan 0.000 0.420 460 F N -0.126 119.664 119.950 -0.266 0.000 2.577 460 F HA 0.486 5.014 4.527 0.001 0.000 0.318 460 F C 0.288 175.919 175.800 -0.282 0.000 1.065 460 F CA -0.919 56.866 58.000 -0.359 0.000 0.929 460 F CB 2.129 40.698 39.000 -0.718 0.000 1.237 460 F HN 0.226 nan 8.300 nan 0.000 0.468 461 S N 3.093 118.684 115.700 -0.183 0.000 2.577 461 S HA 0.395 4.865 4.470 0.001 0.000 0.294 461 S C -0.933 173.712 174.600 0.074 0.000 1.161 461 S CA -0.590 57.493 58.200 -0.195 0.000 1.143 461 S CB -0.023 62.636 63.200 -0.900 0.000 0.991 461 S HN 0.645 nan 8.310 nan 0.000 0.475 462 L N 5.619 127.008 121.223 0.277 0.000 2.418 462 L HA 0.377 4.718 4.340 0.001 0.000 0.274 462 L C 0.360 177.252 176.870 0.036 0.000 1.135 462 L CA 0.009 54.995 54.840 0.244 0.000 0.870 462 L CB 0.423 42.676 42.059 0.324 0.000 1.154 462 L HN 0.690 nan 8.230 nan 0.000 0.462 463 R N 6.498 126.914 120.500 -0.140 0.000 2.265 463 R HA 0.524 4.865 4.340 0.001 0.000 0.328 463 R C -1.157 174.897 176.300 -0.410 0.000 0.969 463 R CA -0.546 55.237 56.100 -0.528 0.000 0.832 463 R CB 0.809 30.765 30.300 -0.574 0.000 1.139 463 R HN 0.640 nan 8.270 nan 0.000 0.457 464 I N 3.766 124.089 120.570 -0.411 0.000 2.389 464 I HA 0.171 4.341 4.170 0.001 0.000 0.288 464 I C -0.688 175.259 176.117 -0.284 0.000 0.999 464 I CA -0.790 60.264 61.300 -0.409 0.000 1.129 464 I CB 1.875 39.584 38.000 -0.485 0.000 1.288 464 I HN 0.530 nan 8.210 nan 0.000 0.444 465 D N 9.772 130.033 120.400 -0.231 0.000 2.473 465 D HA 0.332 4.973 4.640 0.001 0.000 0.226 465 D C -2.519 173.785 176.300 0.006 0.000 1.089 465 D CA -2.125 51.834 54.000 -0.069 0.000 0.883 465 D CB 1.407 42.202 40.800 -0.009 0.000 1.029 465 D HN 0.140 nan 8.370 nan 0.000 0.517 466 P HA 0.343 nan 4.420 nan 0.000 0.278 466 P C -0.434 176.949 177.300 0.137 0.000 1.258 466 P CA -0.557 62.674 63.100 0.219 0.000 0.811 466 P CB 1.255 33.074 31.700 0.198 0.000 1.063 467 R N 1.283 121.871 120.500 0.146 0.000 2.470 467 R HA 0.238 4.579 4.340 0.001 0.000 0.296 467 R C -0.230 176.113 176.300 0.072 0.000 1.187 467 R CA -0.271 55.874 56.100 0.075 0.000 1.310 467 R CB -0.294 30.050 30.300 0.074 0.000 1.369 467 R HN 0.262 nan 8.270 nan 0.000 0.733 468 I N 2.684 123.309 120.570 0.092 0.000 2.948 468 I HA -0.065 4.106 4.170 0.001 0.000 0.284 468 I C 0.496 176.728 176.117 0.193 0.000 1.181 468 I CA 1.153 62.547 61.300 0.157 0.000 1.372 468 I CB -0.567 37.562 38.000 0.214 0.000 1.443 468 I HN 0.611 nan 8.210 nan 0.000 0.554 469 D N 4.760 125.312 120.400 0.253 0.000 2.837 469 D HA -0.150 4.491 4.640 0.001 0.000 0.230 469 D C 0.541 176.862 176.300 0.036 0.000 1.152 469 D CA 1.640 55.698 54.000 0.097 0.000 0.736 469 D CB -0.699 40.026 40.800 -0.125 0.000 1.084 469 D HN 1.172 nan 8.370 nan 0.000 0.429 470 G N -1.179 107.654 108.800 0.054 0.000 2.331 470 G HA2 0.048 4.008 3.960 0.001 0.000 0.479 470 G HA3 0.048 4.008 3.960 0.001 0.000 0.479 470 G C -1.374 173.534 174.900 0.013 0.000 1.262 470 G CA -0.248 44.866 45.100 0.024 0.000 1.029 470 G HN 0.180 nan 8.290 nan 0.000 0.487 471 D N 0.726 121.123 120.400 -0.006 0.000 2.225 471 D HA 0.551 5.191 4.640 0.001 0.000 0.249 471 D C 0.716 177.007 176.300 -0.016 0.000 1.052 471 D CA 1.252 55.239 54.000 -0.021 0.000 0.909 471 D CB 1.334 42.113 40.800 -0.035 0.000 1.186 471 D HN 2.022 nan 8.370 nan 0.000 0.431 472 G N 1.524 110.311 108.800 -0.022 0.000 2.780 472 G HA2 -0.153 3.808 3.960 0.001 0.000 0.364 472 G HA3 -0.153 3.808 3.960 0.001 0.000 0.364 472 G C -0.749 174.128 174.900 -0.039 0.000 1.045 472 G CA -0.821 44.266 45.100 -0.022 0.000 1.202 472 G HN 0.401 nan 8.290 nan 0.000 0.534 473 N N -0.368 118.296 118.700 -0.060 0.000 2.453 473 N HA 0.892 5.633 4.740 0.001 0.000 0.290 473 N C -0.133 175.247 175.510 -0.217 0.000 1.250 473 N CA -0.326 52.648 53.050 -0.126 0.000 0.815 473 N CB 2.152 40.607 38.487 -0.054 0.000 1.381 473 N HN 0.470 nan 8.380 nan 0.000 0.510 474 S N -0.790 114.621 115.700 -0.483 0.000 2.638 474 S HA 0.927 5.398 4.470 0.001 0.000 0.274 474 S C -1.274 173.020 174.600 -0.510 0.000 1.157 474 S CA -0.726 57.160 58.200 -0.523 0.000 0.826 474 S CB 1.971 64.710 63.200 -0.767 0.000 1.139 474 S HN 0.717 nan 8.310 nan 0.000 0.474 475 A N 0.210 122.960 122.820 -0.117 0.000 2.469 475 A HA 1.025 5.345 4.320 0.001 0.000 0.299 475 A C -0.948 176.612 177.584 -0.041 0.000 1.098 475 A CA -0.511 51.627 52.037 0.169 0.000 0.737 475 A CB 1.552 20.862 19.000 0.516 0.000 1.312 475 A HN 1.537 nan 8.150 nan 0.000 0.414 476 A N -0.441 122.319 122.820 -0.100 0.000 2.612 476 A HA 0.869 5.189 4.320 0.001 0.000 0.293 476 A C -0.424 176.982 177.584 -0.298 0.000 1.075 476 A CA 0.036 51.739 52.037 -0.557 0.000 0.680 476 A CB 0.747 19.720 19.000 -0.046 0.000 1.279 476 A HN 2.483 nan 8.150 nan 0.000 0.411 477 A N -0.345 122.290 122.820 -0.307 0.000 2.303 477 A HA 0.623 4.943 4.320 0.001 0.000 0.317 477 A C -0.406 177.103 177.584 -0.124 0.000 1.149 477 A CA -0.348 51.642 52.037 -0.079 0.000 0.822 477 A CB 0.396 19.478 19.000 0.137 0.000 1.131 477 A HN 1.333 nan 8.150 nan 0.000 0.493 478 C N 2.404 121.589 119.300 -0.193 0.000 2.356 478 C HA 0.537 4.998 4.460 0.001 0.000 0.324 478 C C -0.905 173.987 174.990 -0.163 0.000 1.167 478 C CA -0.895 58.042 59.018 -0.136 0.000 1.420 478 C CB -0.113 27.571 27.740 -0.094 0.000 2.036 478 C HN 0.791 nan 8.230 nan 0.000 0.435 479 D N 2.270 122.586 120.400 -0.139 0.000 2.278 479 D HA 0.498 5.139 4.640 0.001 0.000 0.245 479 D C -0.222 175.964 176.300 -0.190 0.000 1.052 479 D CA 0.063 53.967 54.000 -0.160 0.000 0.834 479 D CB 2.241 42.958 40.800 -0.138 0.000 1.194 479 D HN 0.627 nan 8.370 nan 0.000 0.481 480 A N 2.931 125.639 122.820 -0.187 0.000 2.409 480 A HA 0.387 4.708 4.320 0.001 0.000 0.262 480 A C 0.115 177.536 177.584 -0.272 0.000 1.113 480 A CA -0.099 51.808 52.037 -0.217 0.000 0.790 480 A CB 0.433 19.308 19.000 -0.208 0.000 1.046 480 A HN 0.389 nan 8.150 nan 0.000 0.496 481 K N 2.088 122.260 120.400 -0.380 0.000 2.464 481 K HA 0.446 4.767 4.320 0.001 0.000 0.253 481 K C -0.705 175.834 176.600 -0.101 0.000 0.933 481 K CA -0.621 55.475 56.287 -0.319 0.000 0.801 481 K CB 2.227 34.450 32.500 -0.463 0.000 1.271 481 K HN 0.626 nan 8.250 nan 0.000 0.430 482 S N 0.901 116.626 115.700 0.042 0.000 2.593 482 S HA 0.056 4.526 4.470 0.001 0.000 0.269 482 S C 0.418 175.208 174.600 0.317 0.000 1.334 482 S CA -0.389 57.924 58.200 0.188 0.000 1.015 482 S CB 1.060 64.331 63.200 0.118 0.000 0.912 482 S HN 0.624 nan 8.310 nan 0.000 0.541 483 S N 2.093 118.006 115.700 0.354 0.000 2.579 483 S HA 0.147 4.618 4.470 0.001 0.000 0.275 483 S C -1.302 173.435 174.600 0.229 0.000 1.345 483 S CA -1.172 57.237 58.200 0.350 0.000 1.031 483 S CB 0.308 63.678 63.200 0.283 0.000 0.892 483 S HN 0.529 nan 8.310 nan 0.000 0.529 484 P HA -0.005 nan 4.420 nan 0.000 0.223 484 P C -0.247 176.974 177.300 -0.131 0.000 1.151 484 P CA 0.787 63.859 63.100 -0.047 0.000 0.787 484 P CB -0.147 31.443 31.700 -0.183 0.000 0.788 485 Y N 2.264 122.588 120.300 0.039 0.000 2.411 485 Y HA 0.207 4.758 4.550 0.001 0.000 0.333 485 Y C -1.378 174.541 175.900 0.032 0.000 1.186 485 Y CA -2.300 55.815 58.100 0.024 0.000 1.381 485 Y CB -0.454 38.013 38.460 0.012 0.000 1.273 485 Y HN 0.035 nan 8.280 nan 0.000 0.546 486 P HA 0.086 nan 4.420 nan 0.000 0.278 486 P C -0.479 176.872 177.300 0.085 0.000 1.266 486 P CA -0.602 62.559 63.100 0.101 0.000 0.807 486 P CB 1.220 32.959 31.700 0.064 0.000 1.094 487 L N 0.454 121.710 121.223 0.055 0.000 2.525 487 L HA 0.085 4.426 4.340 0.001 0.000 0.278 487 L C 1.553 178.417 176.870 -0.010 0.000 1.218 487 L CA 1.855 56.709 54.840 0.025 0.000 0.878 487 L CB -0.673 41.399 42.059 0.022 0.000 1.127 487 L HN 0.914 nan 8.230 nan 0.000 0.492 488 G N 2.352 111.113 108.800 -0.065 0.000 2.179 488 G HA2 -0.287 3.674 3.960 0.001 0.000 0.260 488 G HA3 -0.287 3.674 3.960 0.001 0.000 0.260 488 G C 0.257 175.120 174.900 -0.061 0.000 0.977 488 G CA 0.428 45.474 45.100 -0.090 0.000 0.641 488 G HN 0.890 nan 8.290 nan 0.000 0.533 489 S N -0.076 115.608 115.700 -0.026 0.000 2.610 489 S HA 0.668 5.139 4.470 0.001 0.000 0.273 489 S C -0.927 173.638 174.600 -0.058 0.000 1.274 489 S CA -0.812 57.382 58.200 -0.010 0.000 1.023 489 S CB 2.459 65.700 63.200 0.068 0.000 0.962 489 S HN -0.043 nan 8.310 nan 0.000 0.523 490 P HA -0.113 nan 4.420 nan 0.000 0.217 490 P C 0.608 177.831 177.300 -0.129 0.000 1.148 490 P CA 1.278 64.324 63.100 -0.091 0.000 0.828 490 P CB -0.006 31.644 31.700 -0.085 0.000 0.783 491 E N -2.178 117.893 120.200 -0.215 0.000 2.442 491 E HA 0.007 4.357 4.350 0.001 0.000 0.195 491 E C 0.688 177.195 176.600 -0.155 0.000 1.030 491 E CA 0.436 56.644 56.400 -0.319 0.000 0.869 491 E CB -0.291 28.890 29.700 -0.864 0.000 0.857 491 E HN 0.107 nan 8.360 nan 0.000 0.505 492 N N -0.281 118.388 118.700 -0.053 0.000 2.605 492 N HA 0.071 4.811 4.740 0.001 0.000 0.265 492 N C 0.274 175.796 175.510 0.021 0.000 1.625 492 N CA 0.002 53.073 53.050 0.034 0.000 0.862 492 N CB -0.067 38.485 38.487 0.108 0.000 1.415 492 N HN -0.070 nan 8.380 nan 0.000 0.513 493 M N 0.265 119.846 119.600 -0.031 0.000 2.103 493 M HA -0.154 4.326 4.480 0.001 0.000 0.255 493 M C 0.221 176.329 176.300 -0.320 0.000 1.074 493 M CA 2.105 57.286 55.300 -0.198 0.000 1.090 493 M CB -0.362 32.066 32.600 -0.287 0.000 1.325 493 M HN 0.372 nan 8.290 nan 0.000 0.403 494 Y N -0.732 119.580 120.300 0.019 0.000 2.485 494 Y HA 0.460 5.011 4.550 0.001 0.000 0.260 494 Y C 1.426 177.351 175.900 0.041 0.000 1.173 494 Y CA -0.025 58.091 58.100 0.027 0.000 1.252 494 Y CB -0.461 38.012 38.460 0.021 0.000 1.123 494 Y HN 0.426 nan 8.280 nan 0.000 0.524 495 G N 1.732 110.620 108.800 0.146 0.000 2.283 495 G HA2 -0.380 3.580 3.960 0.001 0.000 0.280 495 G HA3 -0.380 3.580 3.960 0.001 0.000 0.280 495 G C 0.859 175.852 174.900 0.154 0.000 1.029 495 G CA 0.810 45.989 45.100 0.131 0.000 0.840 495 G HN 0.593 nan 8.290 nan 0.000 0.505 496 N N -0.453 118.349 118.700 0.169 0.000 2.282 496 N HA 0.364 5.105 4.740 0.001 0.000 0.185 496 N C 1.088 176.716 175.510 0.198 0.000 1.099 496 N CA 0.655 53.811 53.050 0.176 0.000 0.878 496 N CB 0.017 38.585 38.487 0.135 0.000 0.993 496 N HN 0.975 nan 8.380 nan 0.000 0.481 497 A N 1.062 123.976 122.820 0.158 0.000 2.540 497 A HA 0.409 4.729 4.320 0.001 0.000 0.239 497 A C -0.430 177.325 177.584 0.284 0.000 1.061 497 A CA -0.066 52.051 52.037 0.132 0.000 0.758 497 A CB -0.595 18.475 19.000 0.116 0.000 0.991 497 A HN 0.493 nan 8.150 nan 0.000 0.502 498 F N 0.888 120.938 119.950 0.166 0.000 2.678 498 F HA 0.706 5.234 4.527 0.001 0.000 0.308 498 F C -1.130 174.817 175.800 0.246 0.000 1.118 498 F CA -1.573 56.542 58.000 0.191 0.000 0.959 498 F CB 0.632 39.672 39.000 0.066 0.000 1.305 498 F HN 0.782 nan 8.300 nan 0.000 0.443 499 Y N -0.244 120.256 120.300 0.334 0.000 2.818 499 Y HA 0.818 5.369 4.550 0.001 0.000 0.322 499 Y C -1.363 174.658 175.900 0.201 0.000 1.323 499 Y CA -1.875 56.339 58.100 0.189 0.000 1.090 499 Y CB 0.893 39.399 38.460 0.077 0.000 1.328 499 Y HN 0.796 nan 8.280 nan 0.000 0.482 500 S N 0.560 116.283 115.700 0.039 0.000 2.474 500 S HA 0.284 4.754 4.470 0.001 0.000 0.321 500 S C -1.033 173.551 174.600 -0.026 0.000 1.080 500 S CA -0.599 57.559 58.200 -0.070 0.000 1.106 500 S CB 0.187 63.400 63.200 0.022 0.000 0.984 500 S HN 0.689 nan 8.310 nan 0.000 0.464 501 E N 4.040 124.152 120.200 -0.147 0.000 2.152 501 E HA 0.185 4.535 4.350 0.001 0.000 0.285 501 E C -0.498 176.101 176.600 -0.001 0.000 1.043 501 E CA -0.358 56.052 56.400 0.016 0.000 0.839 501 E CB 0.503 30.195 29.700 -0.013 0.000 1.069 501 E HN 0.463 nan 8.360 nan 0.000 0.399 502 K N 3.553 123.964 120.400 0.020 0.000 2.234 502 K HA 0.209 4.530 4.320 0.001 0.000 0.277 502 K C -1.162 175.436 176.600 -0.003 0.000 1.038 502 K CA -0.318 55.952 56.287 -0.029 0.000 0.888 502 K CB 1.178 33.632 32.500 -0.076 0.000 1.091 502 K HN 0.398 nan 8.250 nan 0.000 0.467 503 T N 3.130 117.678 114.554 -0.009 0.000 2.963 503 T HA 0.061 4.412 4.350 0.001 0.000 0.343 503 T C -0.207 174.474 174.700 -0.032 0.000 1.146 503 T CA -0.494 61.631 62.100 0.041 0.000 1.016 503 T CB 0.752 69.692 68.868 0.119 0.000 1.046 503 T HN 0.641 nan 8.240 nan 0.000 0.496 504 T N 2.241 116.808 114.554 0.022 0.000 2.832 504 T HA 0.470 4.820 4.350 0.001 0.000 0.296 504 T C -0.021 174.761 174.700 0.137 0.000 0.968 504 T CA -0.639 61.474 62.100 0.022 0.000 1.107 504 T CB -0.176 68.837 68.868 0.241 0.000 0.916 504 T HN 0.205 nan 8.240 nan 0.000 0.517 505 F N 3.713 123.780 119.950 0.194 0.000 2.506 505 F HA 0.379 4.906 4.527 0.001 0.000 0.371 505 F C 1.371 177.234 175.800 0.105 0.000 1.078 505 F CA -0.999 57.083 58.000 0.136 0.000 1.195 505 F CB 0.485 39.564 39.000 0.132 0.000 1.099 505 F HN 0.696 nan 8.300 nan 0.000 0.548 506 K N 0.339 120.900 120.400 0.268 0.000 2.244 506 K HA 0.102 4.422 4.320 0.001 0.000 0.200 506 K C 0.546 177.224 176.600 0.129 0.000 1.052 506 K CA 0.690 57.077 56.287 0.166 0.000 0.980 506 K CB 0.354 32.931 32.500 0.129 0.000 0.838 506 K HN 0.566 nan 8.250 nan 0.000 0.481 507 T N -0.240 114.385 114.554 0.119 0.000 2.887 507 T HA 0.159 4.510 4.350 0.001 0.000 0.288 507 T C 1.092 175.813 174.700 0.035 0.000 1.021 507 T CA -0.649 61.492 62.100 0.069 0.000 1.000 507 T CB 2.005 70.903 68.868 0.050 0.000 1.034 507 T HN -0.262 nan 8.240 nan 0.000 0.467 508 V N 3.457 123.382 119.914 0.018 0.000 2.277 508 V HA -0.220 3.900 4.120 0.001 0.000 0.253 508 V C 2.661 178.697 176.094 -0.097 0.000 1.067 508 V CA 1.971 64.258 62.300 -0.023 0.000 1.047 508 V CB -0.483 31.339 31.823 -0.001 0.000 0.649 508 V HN 0.827 nan 8.190 nan 0.000 0.447 509 K N -0.369 119.988 120.400 -0.071 0.000 2.152 509 K HA -0.241 4.080 4.320 0.001 0.000 0.206 509 K C 1.731 178.240 176.600 -0.152 0.000 1.048 509 K CA 1.788 58.014 56.287 -0.102 0.000 0.933 509 K CB -0.245 32.226 32.500 -0.048 0.000 0.721 509 K HN 0.541 nan 8.250 nan 0.000 0.447 510 D N -0.098 120.228 120.400 -0.124 0.000 2.219 510 D HA -0.113 4.527 4.640 0.001 0.000 0.205 510 D C 1.881 177.840 176.300 -0.568 0.000 0.970 510 D CA 1.301 55.220 54.000 -0.135 0.000 0.851 510 D CB -0.023 40.835 40.800 0.096 0.000 0.943 510 D HN 0.309 nan 8.370 nan 0.000 0.488 511 S N 0.269 115.477 115.700 -0.820 0.000 2.461 511 S HA -0.044 4.427 4.470 0.001 0.000 0.228 511 S C 1.282 175.402 174.600 -0.799 0.000 1.005 511 S CA -0.077 57.250 58.200 -1.454 0.000 0.942 511 S CB -0.512 62.225 63.200 -0.772 0.000 0.776 511 S HN 0.174 nan 8.310 nan 0.000 0.514 512 L N 3.832 124.720 121.223 -0.558 0.000 2.505 512 L HA 0.223 4.563 4.340 0.001 0.000 0.275 512 L C 0.394 177.043 176.870 -0.368 0.000 1.264 512 L CA -0.217 54.231 54.840 -0.653 0.000 1.148 512 L CB -1.254 40.240 42.059 -0.941 0.000 1.377 512 L HN 0.405 nan 8.230 nan 0.000 0.442 513 T N -1.637 112.873 114.554 -0.074 0.000 2.924 513 T HA 0.552 4.903 4.350 0.001 0.000 0.291 513 T C -0.189 174.773 174.700 0.436 0.000 1.045 513 T CA -1.053 61.199 62.100 0.254 0.000 1.015 513 T CB 2.533 71.674 68.868 0.455 0.000 1.103 513 T HN 0.171 nan 8.240 nan 0.000 0.496 514 N N -0.182 118.796 118.700 0.463 0.000 2.402 514 N HA 0.361 5.101 4.740 0.001 0.000 0.294 514 N C -1.464 174.416 175.510 0.617 0.000 1.203 514 N CA -0.685 52.659 53.050 0.490 0.000 0.838 514 N CB 1.214 39.881 38.487 0.300 0.000 1.306 514 N HN 0.771 nan 8.380 nan 0.000 0.510 515 Y N 1.055 121.700 120.300 0.576 0.000 2.425 515 Y HA 0.109 4.660 4.550 0.001 0.000 0.331 515 Y C -0.321 175.708 175.900 0.216 0.000 1.157 515 Y CA 0.241 58.618 58.100 0.462 0.000 1.372 515 Y CB 0.494 39.258 38.460 0.506 0.000 1.253 515 Y HN 0.275 nan 8.280 nan 0.000 0.536 516 E N 3.849 123.572 120.200 -0.794 0.000 2.191 516 E HA 0.148 4.498 4.350 0.001 0.000 0.263 516 E C 0.452 176.553 176.600 -0.830 0.000 0.881 516 E CA -0.051 55.995 56.400 -0.591 0.000 0.757 516 E CB 1.687 31.218 29.700 -0.281 0.000 1.147 516 E HN 0.807 nan 8.360 nan 0.000 0.414 517 S N 1.870 117.246 115.700 -0.541 0.000 2.402 517 S HA -0.136 4.334 4.470 0.001 0.000 0.229 517 S C 1.901 176.397 174.600 -0.173 0.000 1.021 517 S CA 0.831 58.867 58.200 -0.274 0.000 0.974 517 S CB -0.125 63.053 63.200 -0.037 0.000 0.800 517 S HN 0.501 nan 8.310 nan 0.000 0.484 518 A N 1.942 124.666 122.820 -0.161 0.000 2.032 518 A HA -0.058 4.263 4.320 0.001 0.000 0.221 518 A C 2.257 179.761 177.584 -0.133 0.000 1.165 518 A CA 1.944 53.911 52.037 -0.117 0.000 0.645 518 A CB -1.055 17.888 19.000 -0.094 0.000 0.807 518 A HN 0.819 nan 8.150 nan 0.000 0.453 519 T N -5.378 109.072 114.554 -0.174 0.000 3.145 519 T HA 0.442 4.793 4.350 0.001 0.000 0.281 519 T C 1.006 175.609 174.700 -0.161 0.000 1.003 519 T CA 0.836 62.835 62.100 -0.168 0.000 0.901 519 T CB -0.081 68.686 68.868 -0.168 0.000 1.112 519 T HN 1.663 nan 8.240 nan 0.000 0.535 520 G N 2.851 111.567 108.800 -0.139 0.000 2.393 520 G HA2 -0.340 3.620 3.960 0.001 0.000 0.299 520 G HA3 -0.340 3.620 3.960 0.001 0.000 0.299 520 G C 0.010 174.897 174.900 -0.021 0.000 0.990 520 G CA 0.327 45.415 45.100 -0.019 0.000 1.118 520 G HN 0.943 nan 8.290 nan 0.000 0.513 521 R N -0.021 120.399 120.500 -0.132 0.000 2.570 521 R HA 0.417 4.758 4.340 0.001 0.000 0.277 521 R C 0.793 176.956 176.300 -0.228 0.000 1.039 521 R CA 0.710 56.660 56.100 -0.249 0.000 1.065 521 R CB 0.316 30.349 30.300 -0.445 0.000 0.964 521 R HN 0.697 nan 8.270 nan 0.000 0.428 522 S N 3.586 119.053 115.700 -0.388 0.000 2.661 522 S HA 0.608 5.079 4.470 0.001 0.000 0.285 522 S C -1.238 173.153 174.600 -0.348 0.000 1.138 522 S CA -1.021 57.035 58.200 -0.240 0.000 0.855 522 S CB 1.406 64.592 63.200 -0.022 0.000 1.136 522 S HN 0.633 nan 8.310 nan 0.000 0.484 523 W N 0.466 121.865 121.300 0.164 0.000 2.844 523 W HA 0.462 5.122 4.660 0.001 0.000 0.340 523 W C -1.369 175.238 176.519 0.146 0.000 1.093 523 W CA -0.444 57.029 57.345 0.213 0.000 1.212 523 W CB 2.151 31.865 29.460 0.424 0.000 1.422 523 W HN 0.632 nan 8.180 nan 0.000 0.515 524 D N 1.843 122.461 120.400 0.363 0.000 2.248 524 D HA 0.531 5.172 4.640 0.001 0.000 0.246 524 D C -0.588 175.955 176.300 0.404 0.000 1.027 524 D CA -0.395 53.791 54.000 0.310 0.000 0.853 524 D CB 2.217 43.155 40.800 0.229 0.000 1.243 524 D HN 0.089 nan 8.370 nan 0.000 0.462 525 I N 3.319 124.080 120.570 0.318 0.000 2.382 525 I HA 0.388 4.558 4.170 0.001 0.000 0.285 525 I C -0.636 175.679 176.117 0.330 0.000 1.007 525 I CA -0.854 60.588 61.300 0.237 0.000 1.142 525 I CB 0.405 38.468 38.000 0.103 0.000 1.289 525 I HN 0.233 nan 8.210 nan 0.000 0.453 526 F N 3.416 123.440 119.950 0.124 0.000 2.675 526 F HA 0.542 5.070 4.527 0.001 0.000 0.324 526 F C -0.836 175.017 175.800 0.088 0.000 1.106 526 F CA -1.357 56.708 58.000 0.108 0.000 0.970 526 F CB 1.398 40.437 39.000 0.066 0.000 1.385 526 F HN 0.238 nan 8.300 nan 0.000 0.489 527 N N 1.890 120.765 118.700 0.292 0.000 2.558 527 N HA 0.379 5.119 4.740 0.001 0.000 0.242 527 N C -2.096 173.557 175.510 0.239 0.000 0.979 527 N CA -2.176 50.958 53.050 0.140 0.000 0.931 527 N CB 1.381 39.926 38.487 0.097 0.000 1.122 527 N HN 0.367 nan 8.380 nan 0.000 0.508 528 P HA -0.054 nan 4.420 nan 0.000 0.239 528 P C -0.188 177.182 177.300 0.118 0.000 1.184 528 P CA 0.797 64.047 63.100 0.251 0.000 0.760 528 P CB 0.278 32.106 31.700 0.214 0.000 0.884 529 N N -0.181 118.563 118.700 0.073 0.000 2.336 529 N HA 0.074 4.814 4.740 0.001 0.000 0.189 529 N C 0.485 176.008 175.510 0.021 0.000 1.113 529 N CA 0.418 53.491 53.050 0.037 0.000 0.858 529 N CB 0.626 39.124 38.487 0.019 0.000 0.970 529 N HN 0.326 nan 8.380 nan 0.000 0.471 530 K N 0.180 120.596 120.400 0.027 0.000 2.444 530 K HA 0.631 4.952 4.320 0.001 0.000 0.252 530 K C -1.046 175.548 176.600 -0.009 0.000 0.993 530 K CA -0.704 55.578 56.287 -0.008 0.000 0.847 530 K CB 3.038 35.513 32.500 -0.041 0.000 1.340 530 K HN -0.307 nan 8.250 nan 0.000 0.446 531 V N 0.708 120.601 119.914 -0.035 0.000 2.841 531 V HA 0.294 4.414 4.120 0.001 0.000 0.310 531 V C -0.710 175.352 176.094 -0.054 0.000 1.090 531 V CA -1.177 61.102 62.300 -0.035 0.000 0.930 531 V CB 1.879 33.688 31.823 -0.023 0.000 1.014 531 V HN 0.754 nan 8.190 nan 0.000 0.425 532 N N 4.769 123.448 118.700 -0.035 0.000 2.470 532 N HA 0.209 4.950 4.740 0.001 0.000 0.268 532 N C -1.573 173.921 175.510 -0.026 0.000 1.136 532 N CA -1.446 51.579 53.050 -0.041 0.000 0.961 532 N CB 2.196 40.714 38.487 0.052 0.000 1.067 532 N HN 0.400 nan 8.380 nan 0.000 0.468 533 P HA -0.110 nan 4.420 nan 0.000 0.225 533 P C 0.447 177.833 177.300 0.143 0.000 1.148 533 P CA 1.222 64.303 63.100 -0.031 0.000 0.779 533 P CB 0.200 31.828 31.700 -0.120 0.000 0.780 534 Y N 0.803 121.110 120.300 0.011 0.000 2.259 534 Y HA 0.005 4.555 4.550 0.001 0.000 0.285 534 Y C 2.937 178.852 175.900 0.026 0.000 1.130 534 Y CA 0.824 58.931 58.100 0.011 0.000 1.144 534 Y CB -1.452 37.011 38.460 0.006 0.000 1.093 534 Y HN 0.021 nan 8.280 nan 0.000 0.507 535 S N -0.638 115.212 115.700 0.250 0.000 2.402 535 S HA 0.065 4.535 4.470 0.001 0.000 0.229 535 S C 1.931 176.600 174.600 0.114 0.000 1.021 535 S CA 1.246 59.566 58.200 0.200 0.000 0.974 535 S CB -0.589 62.829 63.200 0.364 0.000 0.800 535 S HN 0.745 nan 8.310 nan 0.000 0.484 536 G N 0.628 109.477 108.800 0.083 0.000 2.176 536 G HA2 -0.195 3.766 3.960 0.001 0.000 0.253 536 G HA3 -0.195 3.766 3.960 0.001 0.000 0.253 536 G C -0.009 174.866 174.900 -0.041 0.000 0.979 536 G CA 0.311 45.422 45.100 0.019 0.000 0.641 536 G HN 0.550 nan 8.290 nan 0.000 0.530 537 K N 1.054 121.405 120.400 -0.083 0.000 2.087 537 K HA 0.576 4.897 4.320 0.001 0.000 0.255 537 K C -2.263 174.245 176.600 -0.153 0.000 0.988 537 K CA -2.364 53.778 56.287 -0.242 0.000 0.915 537 K CB 1.284 33.378 32.500 -0.676 0.000 1.043 537 K HN 0.182 nan 8.250 nan 0.000 0.457 538 P HA 0.193 nan 4.420 nan 0.000 0.274 538 P C -2.521 174.785 177.300 0.009 0.000 1.237 538 P CA -1.468 61.610 63.100 -0.036 0.000 0.793 538 P CB -0.241 31.488 31.700 0.049 0.000 0.977 539 P HA 0.068 nan 4.420 nan 0.000 0.269 539 P C -0.183 177.261 177.300 0.241 0.000 1.209 539 P CA 0.462 63.599 63.100 0.061 0.000 0.776 539 P CB 0.441 32.053 31.700 -0.147 0.000 0.876 540 S N 1.508 117.399 115.700 0.319 0.000 2.587 540 S HA 0.551 5.021 4.470 0.001 0.000 0.269 540 S C -2.055 172.660 174.600 0.193 0.000 1.154 540 S CA -0.673 57.719 58.200 0.321 0.000 0.824 540 S CB 0.941 64.287 63.200 0.244 0.000 1.118 540 S HN 0.253 nan 8.310 nan 0.000 0.462 541 Y N 1.225 121.590 120.300 0.107 0.000 2.338 541 Y HA 0.566 5.116 4.550 0.001 0.000 0.333 541 Y C 0.003 175.948 175.900 0.074 0.000 0.968 541 Y CA -0.454 57.659 58.100 0.022 0.000 1.123 541 Y CB 1.908 40.339 38.460 -0.049 0.000 1.165 541 Y HN 0.880 nan 8.280 nan 0.000 0.452 542 K N 4.416 124.857 120.400 0.070 0.000 2.183 542 K HA 0.482 4.803 4.320 0.001 0.000 0.274 542 K C -1.384 175.272 176.600 0.093 0.000 1.009 542 K CA -0.851 55.495 56.287 0.099 0.000 0.888 542 K CB 0.900 33.438 32.500 0.063 0.000 1.078 542 K HN 0.630 nan 8.250 nan 0.000 0.459 543 L N 5.674 126.968 121.223 0.118 0.000 2.278 543 L HA 0.254 4.594 4.340 0.001 0.000 0.287 543 L C -1.338 175.617 176.870 0.141 0.000 1.072 543 L CA -0.055 54.826 54.840 0.069 0.000 0.819 543 L CB 1.203 43.261 42.059 -0.001 0.000 1.176 543 L HN 0.403 nan 8.230 nan 0.000 0.435 544 V N 5.034 124.979 119.914 0.052 0.000 2.275 544 V HA 0.498 4.618 4.120 0.001 0.000 0.272 544 V C 0.044 176.138 176.094 0.001 0.000 1.028 544 V CA -0.204 62.124 62.300 0.046 0.000 0.810 544 V CB 0.671 32.502 31.823 0.013 0.000 1.043 544 V HN 0.850 nan 8.190 nan 0.000 0.453 545 S N 2.747 118.475 115.700 0.046 0.000 2.557 545 S HA 0.577 5.048 4.470 0.001 0.000 0.291 545 S C 0.386 174.912 174.600 -0.125 0.000 1.116 545 S CA -0.188 58.019 58.200 0.012 0.000 0.992 545 S CB 2.243 65.518 63.200 0.126 0.000 1.028 545 S HN 0.641 nan 8.310 nan 0.000 0.484 546 T N 2.893 117.327 114.554 -0.199 0.000 2.969 546 T HA 0.241 4.592 4.350 0.001 0.000 0.258 546 T C 0.045 174.639 174.700 -0.178 0.000 0.962 546 T CA 0.208 62.035 62.100 -0.456 0.000 0.903 546 T CB 0.127 68.821 68.868 -0.290 0.000 1.177 546 T HN 0.650 nan 8.240 nan 0.000 0.511 547 Q N 1.266 121.073 119.800 0.011 0.000 3.027 547 Q HA 0.278 4.618 4.340 0.001 0.000 0.260 547 Q C -0.923 175.209 176.000 0.221 0.000 1.379 547 Q CA -0.258 55.618 55.803 0.122 0.000 1.038 547 Q CB -0.266 28.558 28.738 0.142 0.000 1.578 547 Q HN 0.330 nan 8.270 nan 0.000 0.571 548 C N 3.047 122.477 119.300 0.217 0.000 2.621 548 C HA 0.365 4.826 4.460 0.001 0.000 0.272 548 C C -2.089 173.053 174.990 0.254 0.000 1.119 548 C CA -1.937 57.250 59.018 0.282 0.000 1.593 548 C CB -0.670 27.313 27.740 0.404 0.000 1.749 548 C HN 0.543 nan 8.230 nan 0.000 0.420 549 P HA 0.280 nan 4.420 nan 0.000 0.275 549 P C -2.271 175.096 177.300 0.111 0.000 1.227 549 P CA -0.817 62.368 63.100 0.141 0.000 0.781 549 P CB 0.080 31.840 31.700 0.100 0.000 0.906 550 P HA 0.135 nan 4.420 nan 0.000 0.277 550 P C -0.682 176.617 177.300 -0.001 0.000 1.240 550 P CA -0.495 62.635 63.100 0.050 0.000 0.798 550 P CB 0.578 32.310 31.700 0.052 0.000 0.979 551 L N 3.055 124.245 121.223 -0.056 0.000 2.433 551 L HA 0.060 4.401 4.340 0.001 0.000 0.275 551 L C 1.064 177.885 176.870 -0.083 0.000 1.128 551 L CA 0.357 55.136 54.840 -0.102 0.000 0.875 551 L CB -0.620 41.334 42.059 -0.174 0.000 1.171 551 L HN 0.317 nan 8.230 nan 0.000 0.463 552 L N 4.885 126.068 121.223 -0.067 0.000 2.313 552 L HA 0.128 4.469 4.340 0.001 0.000 0.214 552 L C 1.393 178.221 176.870 -0.069 0.000 1.119 552 L CA 0.393 55.208 54.840 -0.042 0.000 0.809 552 L CB -0.514 41.539 42.059 -0.010 0.000 0.933 552 L HN 0.831 nan 8.230 nan 0.000 0.449 553 A N 0.554 123.307 122.820 -0.110 0.000 2.477 553 A HA 0.179 4.499 4.320 0.001 0.000 0.246 553 A C 0.281 177.786 177.584 -0.131 0.000 1.078 553 A CA -0.212 51.744 52.037 -0.134 0.000 0.770 553 A CB 0.143 19.035 19.000 -0.180 0.000 1.011 553 A HN 0.045 nan 8.150 nan 0.000 0.494 554 K N 1.339 121.667 120.400 -0.121 0.000 2.336 554 K HA 0.125 4.446 4.320 0.001 0.000 0.262 554 K C 0.258 176.780 176.600 -0.131 0.000 0.992 554 K CA 0.436 56.658 56.287 -0.108 0.000 0.927 554 K CB 0.314 32.757 32.500 -0.094 0.000 0.956 554 K HN 0.768 nan 8.250 nan 0.000 0.495 555 E N 0.344 120.474 120.200 -0.117 0.000 2.373 555 E HA 0.198 4.549 4.350 0.001 0.000 0.267 555 E C 0.737 177.260 176.600 -0.129 0.000 1.032 555 E CA 0.345 56.668 56.400 -0.129 0.000 0.889 555 E CB 0.463 30.100 29.700 -0.105 0.000 0.984 555 E HN 0.764 nan 8.360 nan 0.000 0.425 556 G N 2.335 111.043 108.800 -0.152 0.000 2.199 556 G HA2 -0.339 3.621 3.960 0.001 0.000 0.254 556 G HA3 -0.339 3.621 3.960 0.001 0.000 0.254 556 G C 0.424 175.219 174.900 -0.175 0.000 0.982 556 G CA 0.317 45.326 45.100 -0.152 0.000 0.632 556 G HN 0.715 nan 8.290 nan 0.000 0.529 557 S N -0.194 115.393 115.700 -0.188 0.000 2.614 557 S HA 0.643 5.114 4.470 0.001 0.000 0.265 557 S C 1.621 176.059 174.600 -0.271 0.000 1.303 557 S CA -0.038 58.038 58.200 -0.206 0.000 1.000 557 S CB 1.633 64.711 63.200 -0.203 0.000 0.935 557 S HN 0.468 nan 8.310 nan 0.000 0.551 558 L N 1.258 122.308 121.223 -0.289 0.000 1.990 558 L HA -0.137 4.204 4.340 0.001 0.000 0.213 558 L C 2.609 179.202 176.870 -0.463 0.000 1.072 558 L CA 1.617 56.237 54.840 -0.367 0.000 0.755 558 L CB -0.656 41.198 42.059 -0.342 0.000 0.889 558 L HN 0.707 nan 8.230 nan 0.000 0.432 559 V N -0.046 119.563 119.914 -0.508 0.000 2.231 559 V HA -0.380 3.740 4.120 0.001 0.000 0.248 559 V C 2.709 178.577 176.094 -0.377 0.000 1.054 559 V CA 2.068 64.092 62.300 -0.461 0.000 1.015 559 V CB -0.953 30.651 31.823 -0.366 0.000 0.638 559 V HN 0.593 nan 8.190 nan 0.000 0.444 560 A N -0.856 121.762 122.820 -0.336 0.000 1.940 560 A HA -0.251 4.069 4.320 0.001 0.000 0.219 560 A C 2.287 179.664 177.584 -0.344 0.000 1.176 560 A CA 2.016 53.858 52.037 -0.324 0.000 0.631 560 A CB -0.431 18.413 19.000 -0.260 0.000 0.814 560 A HN 0.559 nan 8.150 nan 0.000 0.446 561 K N -0.736 119.443 120.400 -0.367 0.000 2.062 561 K HA -0.051 4.269 4.320 0.001 0.000 0.205 561 K C 2.134 178.409 176.600 -0.542 0.000 1.051 561 K CA 1.201 57.231 56.287 -0.428 0.000 0.941 561 K CB -0.170 32.044 32.500 -0.476 0.000 0.719 561 K HN 0.437 nan 8.250 nan 0.000 0.440 562 R N 0.209 120.398 120.500 -0.519 0.000 2.193 562 R HA 0.045 4.385 4.340 0.001 0.000 0.213 562 R C 0.733 176.940 176.300 -0.154 0.000 1.055 562 R CA 0.611 56.459 56.100 -0.420 0.000 0.995 562 R CB 0.217 30.382 30.300 -0.226 0.000 0.893 562 R HN -0.006 nan 8.270 nan 0.000 0.459 563 A N 1.678 124.290 122.820 -0.346 0.000 3.165 563 A HA 0.290 4.610 4.320 0.001 0.000 0.331 563 A C -1.948 175.165 177.584 -0.786 0.000 1.034 563 A CA -1.312 50.318 52.037 -0.679 0.000 0.906 563 A CB 0.480 18.916 19.000 -0.940 0.000 1.054 563 A HN -0.071 nan 8.150 nan 0.000 0.484 564 P HA -0.196 nan 4.420 nan 0.000 0.217 564 P C 1.423 178.593 177.300 -0.216 0.000 1.148 564 P CA 1.307 64.253 63.100 -0.257 0.000 0.828 564 P CB -0.234 31.400 31.700 -0.110 0.000 0.783 565 W N 0.084 121.330 121.300 -0.090 0.000 2.467 565 W HA 0.225 4.886 4.660 0.001 0.000 0.275 565 W C 1.626 178.137 176.519 -0.014 0.000 1.239 565 W CA 0.587 57.900 57.345 -0.053 0.000 1.266 565 W CB -1.764 27.655 29.460 -0.068 0.000 1.112 565 W HN -0.086 nan 8.180 nan 0.000 0.576 566 A N 1.466 123.940 122.820 -0.578 0.000 2.168 566 A HA -0.072 4.249 4.320 0.001 0.000 0.215 566 A C 2.009 179.449 177.584 -0.239 0.000 1.152 566 A CA 1.548 53.317 52.037 -0.446 0.000 0.716 566 A CB -0.784 17.659 19.000 -0.929 0.000 0.794 566 A HN 0.280 nan 8.150 nan 0.000 0.465 567 S N -0.762 114.782 115.700 -0.259 0.000 2.522 567 S HA 0.055 4.526 4.470 0.001 0.000 0.227 567 S C 0.249 174.568 174.600 -0.469 0.000 0.986 567 S CA 0.305 58.292 58.200 -0.354 0.000 0.929 567 S CB -0.246 62.695 63.200 -0.431 0.000 0.769 567 S HN 0.768 nan 8.310 nan 0.000 0.529 568 H N -0.615 118.462 119.070 0.012 0.000 2.768 568 H HA 0.449 5.005 4.556 0.001 0.000 0.371 568 H C 0.509 175.887 175.328 0.084 0.000 1.151 568 H CA -0.505 55.574 56.048 0.052 0.000 1.165 568 H CB 1.640 31.415 29.762 0.022 0.000 1.722 568 H HN -0.102 nan 8.280 nan 0.000 0.543 569 S N 0.767 116.618 115.700 0.251 0.000 2.402 569 S HA 0.007 4.477 4.470 0.001 0.000 0.229 569 S C 0.457 175.100 174.600 0.072 0.000 1.021 569 S CA 0.639 58.951 58.200 0.187 0.000 0.974 569 S CB 0.299 63.718 63.200 0.366 0.000 0.800 569 S HN 0.248 nan 8.310 nan 0.000 0.484 570 V N 2.368 122.273 119.914 -0.014 0.000 2.789 570 V HA 0.448 4.568 4.120 0.001 0.000 0.311 570 V C -1.063 174.905 176.094 -0.210 0.000 1.073 570 V CA -0.971 61.167 62.300 -0.270 0.000 0.921 570 V CB 2.121 33.523 31.823 -0.701 0.000 1.009 570 V HN 0.241 nan 8.190 nan 0.000 0.426 571 N N 2.799 121.362 118.700 -0.228 0.000 2.430 571 N HA 0.560 5.301 4.740 0.001 0.000 0.290 571 N C -1.540 173.898 175.510 -0.121 0.000 1.063 571 N CA -0.293 52.687 53.050 -0.118 0.000 0.883 571 N CB 2.716 41.246 38.487 0.072 0.000 1.465 571 N HN 0.340 nan 8.380 nan 0.000 0.493 572 V N 2.004 121.842 119.914 -0.126 0.000 2.444 572 V HA 0.537 4.658 4.120 0.001 0.000 0.294 572 V C 0.222 176.361 176.094 0.075 0.000 1.022 572 V CA -0.772 61.527 62.300 -0.002 0.000 0.850 572 V CB 1.629 33.474 31.823 0.036 0.000 0.992 572 V HN 0.480 nan 8.190 nan 0.000 0.426 573 V N 3.159 123.161 119.914 0.147 0.000 3.102 573 V HA 0.793 4.913 4.120 0.001 0.000 0.312 573 V C -2.903 173.245 176.094 0.090 0.000 1.135 573 V CA -3.058 59.312 62.300 0.117 0.000 1.022 573 V CB 2.131 34.045 31.823 0.153 0.000 1.056 573 V HN 0.616 nan 8.190 nan 0.000 0.436 574 P HA 0.179 nan 4.420 nan 0.000 0.269 574 P C -1.253 176.045 177.300 -0.002 0.000 1.209 574 P CA 0.208 63.334 63.100 0.044 0.000 0.776 574 P CB 0.062 31.777 31.700 0.025 0.000 0.876 575 Y N 2.802 123.067 120.300 -0.058 0.000 2.346 575 Y HA 0.395 4.945 4.550 0.001 0.000 0.330 575 Y C 0.088 175.915 175.900 -0.121 0.000 1.178 575 Y CA 0.355 58.395 58.100 -0.100 0.000 1.331 575 Y CB 0.733 39.151 38.460 -0.071 0.000 1.253 575 Y HN 0.243 nan 8.280 nan 0.000 0.529 576 K N 3.886 123.513 120.400 -1.288 0.000 2.542 576 K HA 0.218 4.538 4.320 0.001 0.000 0.259 576 K C -1.751 174.128 176.600 -1.202 0.000 0.932 576 K CA -0.729 55.019 56.287 -0.898 0.000 0.820 576 K CB 1.234 33.429 32.500 -0.508 0.000 1.345 576 K HN 0.637 nan 8.250 nan 0.000 0.432 577 D N 2.562 122.582 120.400 -0.633 0.000 2.472 577 D HA 0.001 4.642 4.640 0.001 0.000 0.237 577 D C 0.043 176.141 176.300 -0.337 0.000 1.141 577 D CA 1.024 54.825 54.000 -0.331 0.000 0.875 577 D CB 0.433 41.193 40.800 -0.067 0.000 1.192 577 D HN 0.587 nan 8.370 nan 0.000 0.450 578 N N 1.381 119.915 118.700 -0.277 0.000 2.776 578 N HA -0.221 4.520 4.740 0.001 0.000 0.250 578 N C -0.465 174.829 175.510 -0.359 0.000 1.112 578 N CA 0.494 53.376 53.050 -0.279 0.000 0.733 578 N CB -0.685 37.681 38.487 -0.202 0.000 1.097 578 N HN 0.448 nan 8.380 nan 0.000 0.558 579 R N 0.878 121.065 120.500 -0.522 0.000 2.825 579 R HA 0.329 4.670 4.340 0.001 0.000 0.261 579 R C 1.290 177.256 176.300 -0.557 0.000 1.341 579 R CA -0.115 55.526 56.100 -0.766 0.000 1.353 579 R CB 0.318 29.860 30.300 -1.262 0.000 1.191 579 R HN 0.215 nan 8.270 nan 0.000 0.590 580 L N 0.825 121.803 121.223 -0.409 0.000 2.515 580 L HA 0.228 4.568 4.340 0.001 0.000 0.202 580 L C -0.173 176.526 176.870 -0.286 0.000 1.056 580 L CA 0.254 54.788 54.840 -0.509 0.000 0.847 580 L CB 0.144 41.506 42.059 -1.162 0.000 1.131 580 L HN 0.315 nan 8.230 nan 0.000 0.484 581 Y N 1.608 122.063 120.300 0.258 0.000 2.434 581 Y HA 0.283 4.833 4.550 0.001 0.000 0.341 581 Y C -1.575 174.356 175.900 0.051 0.000 0.965 581 Y CA -3.551 54.619 58.100 0.117 0.000 1.205 581 Y CB -0.105 38.328 38.460 -0.044 0.000 1.121 581 Y HN -0.074 nan 8.280 nan 0.000 0.507 582 P HA -0.103 nan 4.420 nan 0.000 0.225 582 P C 0.662 177.878 177.300 -0.139 0.000 1.148 582 P CA 1.112 63.966 63.100 -0.409 0.000 0.779 582 P CB 0.556 31.986 31.700 -0.450 0.000 0.780 583 S N -1.048 114.691 115.700 0.065 0.000 2.575 583 S HA 0.485 4.955 4.470 0.001 0.000 0.237 583 S C 0.738 175.303 174.600 -0.060 0.000 0.975 583 S CA 0.295 58.610 58.200 0.192 0.000 0.960 583 S CB -0.122 63.307 63.200 0.381 0.000 0.822 583 S HN 0.515 nan 8.310 nan 0.000 0.472 584 G N 1.294 109.976 108.800 -0.196 0.000 2.662 584 G HA2 -0.145 3.815 3.960 0.001 0.000 0.686 584 G HA3 -0.145 3.815 3.960 0.001 0.000 0.686 584 G C -0.384 174.429 174.900 -0.145 0.000 1.271 584 G CA -0.432 44.493 45.100 -0.292 0.000 0.816 584 G HN 0.200 nan 8.290 nan 0.000 0.608 585 D N -0.041 120.242 120.400 -0.196 0.000 2.149 585 D HA 0.040 4.680 4.640 0.001 0.000 0.201 585 D C 0.844 176.776 176.300 -0.612 0.000 0.972 585 D CA 1.425 55.243 54.000 -0.304 0.000 0.835 585 D CB 0.016 40.594 40.800 -0.370 0.000 0.966 585 D HN 0.478 nan 8.370 nan 0.000 0.476 586 H N 0.117 119.156 119.070 -0.052 0.000 2.786 586 H HA 0.255 4.811 4.556 0.001 0.000 0.284 586 H C 0.850 176.152 175.328 -0.043 0.000 1.104 586 H CA -0.317 55.712 56.048 -0.031 0.000 1.339 586 H CB 1.546 31.296 29.762 -0.019 0.000 1.427 586 H HN -0.207 nan 8.280 nan 0.000 0.497 587 V N 3.871 123.808 119.914 0.039 0.000 2.446 587 V HA -0.005 4.116 4.120 0.001 0.000 0.244 587 V C -1.636 174.546 176.094 0.146 0.000 1.039 587 V CA 0.439 62.791 62.300 0.086 0.000 1.045 587 V CB -0.867 30.974 31.823 0.030 0.000 0.681 587 V HN 0.456 nan 8.190 nan 0.000 0.459 588 P HA 0.026 nan 4.420 nan 0.000 0.264 588 P C 0.276 177.685 177.300 0.182 0.000 1.183 588 P CA 0.776 63.931 63.100 0.092 0.000 0.763 588 P CB 0.075 31.795 31.700 0.033 0.000 0.807 589 Q N -1.964 117.972 119.800 0.227 0.000 2.406 589 Q HA -0.232 4.108 4.340 0.001 0.000 0.236 589 Q C -0.352 175.926 176.000 0.464 0.000 0.799 589 Q CA 0.529 56.535 55.803 0.339 0.000 1.286 589 Q CB -1.693 27.184 28.738 0.232 0.000 1.615 589 Q HN 0.549 nan 8.270 nan 0.000 0.621 590 W N 1.677 123.060 121.300 0.137 0.000 2.266 590 W HA 0.312 4.973 4.660 0.001 0.000 0.317 590 W C 1.250 177.657 176.519 -0.186 0.000 1.310 590 W CA -0.091 57.269 57.345 0.024 0.000 1.207 590 W CB 0.579 30.031 29.460 -0.014 0.000 1.199 590 W HN 0.107 nan 8.180 nan 0.000 0.544 591 S N 3.577 118.892 115.700 -0.642 0.000 2.453 591 S HA 0.104 4.575 4.470 0.001 0.000 0.231 591 S C 1.553 175.329 174.600 -1.373 0.000 1.005 591 S CA 1.012 58.370 58.200 -1.402 0.000 0.949 591 S CB -0.386 62.300 63.200 -0.857 0.000 0.774 591 S HN 1.707 nan 8.310 nan 0.000 0.510 592 G N 0.456 107.951 108.800 -2.175 0.000 2.179 592 G HA2 -0.144 3.816 3.960 0.001 0.000 0.220 592 G HA3 -0.144 3.816 3.960 0.001 0.000 0.220 592 G C -0.501 173.802 174.900 -0.994 0.000 0.990 592 G CA 0.040 43.922 45.100 -2.030 0.000 0.646 592 G HN 0.560 nan 8.290 nan 0.000 0.517 593 D N 1.041 121.102 120.400 -0.565 0.000 2.198 593 D HA 0.569 5.210 4.640 0.001 0.000 0.245 593 D C 0.670 177.117 176.300 0.245 0.000 1.079 593 D CA 1.345 55.279 54.000 -0.110 0.000 0.854 593 D CB 1.427 42.171 40.800 -0.094 0.000 1.148 593 D HN 1.357 nan 8.370 nan 0.000 0.456 594 G N 0.142 109.059 108.800 0.194 0.000 2.465 594 G HA2 -0.079 3.881 3.960 0.001 0.000 0.681 594 G HA3 -0.079 3.881 3.960 0.001 0.000 0.681 594 G C -0.988 174.009 174.900 0.163 0.000 1.340 594 G CA -1.001 44.221 45.100 0.204 0.000 0.884 594 G HN 0.335 nan 8.290 nan 0.000 0.650 595 V N 2.702 122.649 119.914 0.054 0.000 2.299 595 V HA 0.611 4.732 4.120 0.001 0.000 0.255 595 V C 0.829 176.877 176.094 -0.077 0.000 1.100 595 V CA 0.619 62.916 62.300 -0.004 0.000 0.938 595 V CB -0.390 31.427 31.823 -0.009 0.000 1.139 595 V HN 1.001 nan 8.190 nan 0.000 0.490 596 R N 2.783 123.192 120.500 -0.152 0.000 2.752 596 R HA 0.836 5.176 4.340 0.001 0.000 0.271 596 R C 0.447 176.468 176.300 -0.465 0.000 1.026 596 R CA -0.215 55.701 56.100 -0.307 0.000 0.901 596 R CB 1.096 31.125 30.300 -0.452 0.000 1.243 596 R HN 0.754 nan 8.270 nan 0.000 0.463 597 G N 1.077 109.491 108.800 -0.643 0.000 2.582 597 G HA2 -0.429 3.532 3.960 0.001 0.000 0.288 597 G HA3 -0.429 3.532 3.960 0.001 0.000 0.288 597 G C 0.555 174.390 174.900 -1.774 0.000 1.247 597 G CA 0.827 45.258 45.100 -1.114 0.000 0.972 597 G HN 0.761 nan 8.290 nan 0.000 0.557 598 M N 0.268 119.064 119.600 -1.341 0.000 2.144 598 M HA -0.038 4.442 4.480 0.001 0.000 0.260 598 M C 2.448 178.487 176.300 -0.434 0.000 1.067 598 M CA 2.865 57.660 55.300 -0.841 0.000 1.095 598 M CB -0.474 31.922 32.600 -0.340 0.000 1.365 598 M HN 0.616 nan 8.290 nan 0.000 0.406 599 R N -0.519 119.790 120.500 -0.318 0.000 2.120 599 R HA -0.189 4.152 4.340 0.001 0.000 0.234 599 R C 2.193 178.407 176.300 -0.144 0.000 1.123 599 R CA 1.881 57.889 56.100 -0.155 0.000 0.975 599 R CB -0.265 29.992 30.300 -0.072 0.000 0.866 599 R HN 0.650 nan 8.270 nan 0.000 0.446 600 E N -0.629 119.418 120.200 -0.256 0.000 2.076 600 E HA -0.152 4.198 4.350 0.001 0.000 0.190 600 E C 1.384 178.018 176.600 0.056 0.000 0.979 600 E CA 0.875 57.206 56.400 -0.115 0.000 0.807 600 E CB -0.047 29.568 29.700 -0.141 0.000 0.761 600 E HN 0.365 nan 8.360 nan 0.000 0.454 601 W N 0.918 122.170 121.300 -0.080 0.000 2.358 601 W HA -0.096 4.564 4.660 0.001 0.000 0.303 601 W C 2.119 178.603 176.519 -0.059 0.000 1.208 601 W CA 0.348 57.643 57.345 -0.083 0.000 1.274 601 W CB -1.029 28.358 29.460 -0.123 0.000 1.138 601 W HN 0.159 nan 8.180 nan 0.000 0.515 602 I N -0.091 120.559 120.570 0.134 0.000 2.202 602 I HA -0.128 4.042 4.170 0.001 0.000 0.242 602 I C 2.193 178.334 176.117 0.040 0.000 1.091 602 I CA 1.645 62.980 61.300 0.058 0.000 1.368 602 I CB -1.150 36.853 38.000 0.005 0.000 1.058 602 I HN 0.130 nan 8.210 nan 0.000 0.410 603 G N 2.168 110.986 108.800 0.029 0.000 2.591 603 G HA2 -0.422 3.539 3.960 0.001 0.000 0.298 603 G HA3 -0.422 3.539 3.960 0.001 0.000 0.298 603 G C 0.425 175.331 174.900 0.010 0.000 1.195 603 G CA 0.658 45.771 45.100 0.022 0.000 0.989 603 G HN 0.542 nan 8.290 nan 0.000 0.551 604 D N 1.407 121.815 120.400 0.012 0.000 2.325 604 D HA 0.403 5.043 4.640 0.001 0.000 0.225 604 D C 1.755 178.057 176.300 0.004 0.000 1.096 604 D CA 1.010 55.014 54.000 0.007 0.000 0.844 604 D CB -0.476 40.329 40.800 0.009 0.000 0.925 604 D HN 2.135 nan 8.370 nan 0.000 0.513 605 G N 0.524 109.327 108.800 0.004 0.000 2.180 605 G HA2 -0.369 3.592 3.960 0.001 0.000 0.263 605 G HA3 -0.369 3.592 3.960 0.001 0.000 0.263 605 G C 0.999 175.902 174.900 0.004 0.000 0.989 605 G CA 0.946 46.043 45.100 -0.004 0.000 0.692 605 G HN 0.759 nan 8.290 nan 0.000 0.526 606 S N -1.123 114.585 115.700 0.014 0.000 2.540 606 S HA 0.347 4.818 4.470 0.001 0.000 0.218 606 S C 0.561 175.177 174.600 0.027 0.000 0.977 606 S CA 0.498 58.710 58.200 0.020 0.000 0.918 606 S CB 0.487 63.699 63.200 0.019 0.000 0.806 606 S HN 0.586 nan 8.310 nan 0.000 0.496 607 E N 2.395 122.612 120.200 0.030 0.000 2.383 607 E HA 0.214 4.564 4.350 0.001 0.000 0.264 607 E C -0.267 176.359 176.600 0.043 0.000 1.050 607 E CA -0.459 55.962 56.400 0.035 0.000 0.896 607 E CB 0.340 30.061 29.700 0.036 0.000 0.982 607 E HN 0.425 nan 8.360 nan 0.000 0.424 608 N N 2.347 121.074 118.700 0.045 0.000 2.492 608 N HA 0.022 4.762 4.740 0.001 0.000 0.260 608 N C -0.065 175.482 175.510 0.062 0.000 1.215 608 N CA 0.259 53.342 53.050 0.055 0.000 0.923 608 N CB 0.406 38.922 38.487 0.048 0.000 1.092 608 N HN 0.563 nan 8.380 nan 0.000 0.448 609 I N -1.960 118.658 120.570 0.079 0.000 4.026 609 I HA 0.408 4.578 4.170 0.001 0.000 0.324 609 I C -0.482 175.683 176.117 0.080 0.000 1.474 609 I CA -0.535 60.818 61.300 0.089 0.000 1.107 609 I CB 0.282 38.353 38.000 0.118 0.000 1.345 609 I HN 0.252 nan 8.210 nan 0.000 0.531 610 D N 2.601 123.040 120.400 0.066 0.000 2.329 610 D HA 0.203 4.844 4.640 0.001 0.000 0.232 610 D C 0.282 176.589 176.300 0.012 0.000 1.088 610 D CA 0.063 54.087 54.000 0.040 0.000 0.835 610 D CB 0.632 41.476 40.800 0.074 0.000 1.078 610 D HN 0.258 nan 8.370 nan 0.000 0.495 611 N N 2.543 121.221 118.700 -0.038 0.000 2.681 611 N HA -0.221 4.520 4.740 0.001 0.000 0.259 611 N C -1.439 174.067 175.510 -0.007 0.000 1.066 611 N CA 1.289 54.320 53.050 -0.031 0.000 0.717 611 N CB -0.966 37.521 38.487 0.000 0.000 0.885 611 N HN 0.526 nan 8.380 nan 0.000 0.547 612 T N -0.543 114.006 114.554 -0.007 0.000 2.648 612 T HA 0.315 4.666 4.350 0.001 0.000 0.304 612 T C -1.917 172.789 174.700 0.010 0.000 1.312 612 T CA -0.565 61.541 62.100 0.010 0.000 1.023 612 T CB 0.670 69.555 68.868 0.029 0.000 1.612 612 T HN 0.079 nan 8.240 nan 0.000 0.487 613 D N 2.257 122.672 120.400 0.025 0.000 2.316 613 D HA 0.484 5.124 4.640 0.001 0.000 0.245 613 D C 0.235 176.594 176.300 0.098 0.000 1.171 613 D CA 0.055 54.067 54.000 0.021 0.000 0.856 613 D CB 0.438 41.233 40.800 -0.008 0.000 1.090 613 D HN 0.621 nan 8.370 nan 0.000 0.476 614 I N -1.781 118.844 120.570 0.092 0.000 3.170 614 I HA 0.621 4.791 4.170 0.001 0.000 0.312 614 I C -1.022 175.192 176.117 0.162 0.000 1.085 614 I CA -1.155 60.226 61.300 0.136 0.000 0.999 614 I CB 1.881 39.958 38.000 0.128 0.000 1.233 614 I HN 0.018 nan 8.210 nan 0.000 0.467 615 L N 2.281 123.607 121.223 0.172 0.000 2.439 615 L HA 0.461 4.802 4.340 0.001 0.000 0.270 615 L C -1.598 175.395 176.870 0.206 0.000 0.972 615 L CA -0.365 54.558 54.840 0.138 0.000 0.836 615 L CB 2.316 44.467 42.059 0.152 0.000 1.255 615 L HN 0.535 nan 8.230 nan 0.000 0.404 616 F N 3.852 123.749 119.950 -0.088 0.000 2.361 616 F HA 0.519 5.046 4.527 0.001 0.000 0.364 616 F C -0.907 174.802 175.800 -0.152 0.000 1.117 616 F CA -0.538 57.448 58.000 -0.023 0.000 1.071 616 F CB 0.675 39.652 39.000 -0.038 0.000 1.188 616 F HN 0.122 nan 8.300 nan 0.000 0.464 617 F N 5.304 125.304 119.950 0.084 0.000 2.388 617 F HA 0.266 4.794 4.527 0.001 0.000 0.358 617 F C -0.232 175.649 175.800 0.135 0.000 1.122 617 F CA -0.667 57.414 58.000 0.135 0.000 1.056 617 F CB 0.698 39.767 39.000 0.114 0.000 1.155 617 F HN 0.417 nan 8.300 nan 0.000 0.461 618 H N 1.663 120.898 119.070 0.274 0.000 2.476 618 H HA 0.455 5.011 4.556 0.001 0.000 0.328 618 H C -0.776 174.764 175.328 0.353 0.000 1.073 618 H CA -0.575 55.618 56.048 0.241 0.000 1.229 618 H CB 1.126 31.054 29.762 0.276 0.000 1.432 618 H HN 0.498 nan 8.280 nan 0.000 0.477 619 T N 7.558 122.033 114.554 -0.132 0.000 2.744 619 T HA 0.414 4.764 4.350 0.001 0.000 0.291 619 T C -0.844 173.802 174.700 -0.091 0.000 0.957 619 T CA -0.313 61.814 62.100 0.045 0.000 1.002 619 T CB -0.344 68.657 68.868 0.221 0.000 0.919 619 T HN 0.499 nan 8.240 nan 0.000 0.468 620 F N 0.293 120.197 119.950 -0.077 0.000 2.685 620 F HA 0.950 5.478 4.527 0.001 0.000 0.315 620 F C 0.104 176.055 175.800 0.252 0.000 1.126 620 F CA -0.784 57.222 58.000 0.010 0.000 0.950 620 F CB 1.083 40.059 39.000 -0.041 0.000 1.360 620 F HN 0.875 nan 8.300 nan 0.000 0.469 621 G N 0.415 109.349 108.800 0.223 0.000 2.373 621 G HA2 0.445 4.405 3.960 0.001 0.000 0.250 621 G HA3 0.445 4.405 3.960 0.001 0.000 0.250 621 G C -1.935 173.095 174.900 0.217 0.000 1.304 621 G CA -0.251 44.986 45.100 0.229 0.000 0.948 621 G HN 1.559 nan 8.290 nan 0.000 0.474 622 I N -3.227 117.468 120.570 0.208 0.000 3.279 622 I HA 0.874 5.044 4.170 0.001 0.000 0.315 622 I C -0.672 175.493 176.117 0.081 0.000 1.187 622 I CA -1.098 60.279 61.300 0.128 0.000 0.953 622 I CB 2.192 40.239 38.000 0.078 0.000 1.279 622 I HN 0.461 nan 8.210 nan 0.000 0.465 623 T N 0.685 115.239 114.554 -0.001 0.000 2.809 623 T HA 0.322 4.672 4.350 0.001 0.000 0.296 623 T C -0.972 173.566 174.700 -0.269 0.000 1.015 623 T CA -0.145 61.852 62.100 -0.170 0.000 0.954 623 T CB -0.078 68.703 68.868 -0.144 0.000 0.950 623 T HN 0.628 nan 8.240 nan 0.000 0.450 624 H N 3.116 121.848 119.070 -0.563 0.000 2.640 624 H HA 0.394 4.951 4.556 0.001 0.000 0.297 624 H C -1.073 173.856 175.328 -0.665 0.000 1.073 624 H CA -1.037 54.684 56.048 -0.546 0.000 1.305 624 H CB 0.263 29.684 29.762 -0.568 0.000 1.404 624 H HN 0.417 nan 8.280 nan 0.000 0.459 625 F N 6.897 126.956 119.950 0.181 0.000 2.293 625 F HA 0.270 4.798 4.527 0.001 0.000 0.370 625 F C -1.946 173.942 175.800 0.147 0.000 1.090 625 F CA -2.580 55.467 58.000 0.078 0.000 1.133 625 F CB 0.728 39.768 39.000 0.067 0.000 1.360 625 F HN 0.538 nan 8.300 nan 0.000 0.489 626 P HA 0.218 nan 4.420 nan 0.000 0.266 626 P C -0.683 176.723 177.300 0.177 0.000 1.193 626 P CA 0.044 63.218 63.100 0.124 0.000 0.770 626 P CB 0.790 32.486 31.700 -0.007 0.000 0.836 627 A N 4.040 126.974 122.820 0.189 0.000 2.515 627 A HA 0.612 4.933 4.320 0.001 0.000 0.296 627 A C -2.060 175.607 177.584 0.138 0.000 1.094 627 A CA -1.544 50.576 52.037 0.138 0.000 0.718 627 A CB 0.875 19.953 19.000 0.130 0.000 1.307 627 A HN 0.241 nan 8.150 nan 0.000 0.408 628 P HA -0.172 nan 4.420 nan 0.000 0.218 628 P C 0.797 178.198 177.300 0.169 0.000 1.146 628 P CA 1.542 64.729 63.100 0.146 0.000 0.820 628 P CB 0.271 32.040 31.700 0.116 0.000 0.778 629 E N -0.710 119.566 120.200 0.127 0.000 2.267 629 E HA -0.163 4.187 4.350 0.001 0.000 0.197 629 E C 1.285 177.948 176.600 0.104 0.000 0.998 629 E CA 1.017 57.476 56.400 0.099 0.000 0.830 629 E CB -0.636 29.107 29.700 0.071 0.000 0.751 629 E HN 0.332 nan 8.360 nan 0.000 0.491 630 D N -0.998 119.496 120.400 0.157 0.000 2.355 630 D HA -0.007 4.634 4.640 0.001 0.000 0.218 630 D C -0.295 176.126 176.300 0.201 0.000 1.004 630 D CA 0.369 54.469 54.000 0.168 0.000 0.880 630 D CB 0.154 41.111 40.800 0.262 0.000 0.911 630 D HN 0.059 nan 8.370 nan 0.000 0.528 631 F N 1.007 120.971 119.950 0.022 0.000 2.538 631 F HA 0.314 4.841 4.527 0.001 0.000 0.325 631 F C -1.664 174.134 175.800 -0.003 0.000 1.066 631 F CA -2.363 55.638 58.000 0.003 0.000 0.946 631 F CB 2.087 41.106 39.000 0.031 0.000 1.199 631 F HN -0.300 nan 8.300 nan 0.000 0.473 632 P HA 0.065 nan 4.420 nan 0.000 0.240 632 P C -0.438 176.439 177.300 -0.704 0.000 1.190 632 P CA 0.889 63.174 63.100 -1.357 0.000 0.781 632 P CB 1.040 32.226 31.700 -0.856 0.000 0.931 633 L N 0.876 121.805 121.223 -0.491 0.000 2.409 633 L HA 0.480 4.820 4.340 0.001 0.000 0.272 633 L C -0.339 176.352 176.870 -0.298 0.000 0.980 633 L CA -1.257 53.247 54.840 -0.560 0.000 0.826 633 L CB 2.432 43.908 42.059 -0.972 0.000 1.268 633 L HN -0.129 nan 8.230 nan 0.000 0.407 634 M N 5.583 125.054 119.600 -0.215 0.000 2.264 634 M HA 0.592 5.072 4.480 0.001 0.000 0.352 634 M C -2.536 173.686 176.300 -0.130 0.000 1.173 634 M CA -1.426 53.808 55.300 -0.109 0.000 1.075 634 M CB 1.350 33.938 32.600 -0.019 0.000 1.621 634 M HN 0.204 nan 8.290 nan 0.000 0.457 635 P HA 0.189 nan 4.420 nan 0.000 0.271 635 P C -0.746 176.494 177.300 -0.101 0.000 1.218 635 P CA -0.188 62.855 63.100 -0.094 0.000 0.780 635 P CB 0.547 32.208 31.700 -0.065 0.000 0.901 636 A N 2.324 125.082 122.820 -0.102 0.000 2.587 636 A HA -0.011 4.310 4.320 0.001 0.000 0.235 636 A C 0.363 177.881 177.584 -0.110 0.000 1.044 636 A CA 0.476 52.448 52.037 -0.108 0.000 0.754 636 A CB -0.591 18.359 19.000 -0.083 0.000 0.968 636 A HN 0.609 nan 8.150 nan 0.000 0.509 637 E N 3.238 123.355 120.200 -0.138 0.000 2.176 637 E HA 0.496 4.847 4.350 0.001 0.000 0.267 637 E C -2.638 173.890 176.600 -0.120 0.000 0.893 637 E CA -2.226 54.090 56.400 -0.141 0.000 0.761 637 E CB 1.832 31.407 29.700 -0.208 0.000 1.133 637 E HN 0.533 nan 8.360 nan 0.000 0.409 638 P HA 0.394 nan 4.420 nan 0.000 0.284 638 P C -0.752 176.512 177.300 -0.060 0.000 1.258 638 P CA -0.348 62.706 63.100 -0.077 0.000 0.824 638 P CB 1.430 33.085 31.700 -0.076 0.000 1.038 639 I N 0.147 120.684 120.570 -0.056 0.000 2.722 639 I HA 0.534 4.705 4.170 0.001 0.000 0.295 639 I C -0.172 175.909 176.117 -0.059 0.000 1.161 639 I CA -0.478 60.812 61.300 -0.018 0.000 1.032 639 I CB 2.646 40.657 38.000 0.017 0.000 1.244 639 I HN 0.302 nan 8.210 nan 0.000 0.421 640 T N 6.043 120.552 114.554 -0.075 0.000 2.840 640 T HA 0.737 5.088 4.350 0.001 0.000 0.317 640 T C -2.029 172.538 174.700 -0.221 0.000 1.401 640 T CA -0.552 61.450 62.100 -0.163 0.000 1.028 640 T CB 1.717 70.506 68.868 -0.132 0.000 1.317 640 T HN 0.667 nan 8.240 nan 0.000 0.495 641 L N 2.606 123.652 121.223 -0.295 0.000 2.582 641 L HA 0.852 5.192 4.340 0.001 0.000 0.257 641 L C -2.029 174.707 176.870 -0.225 0.000 0.974 641 L CA -1.046 53.621 54.840 -0.288 0.000 0.851 641 L CB 2.197 43.963 42.059 -0.488 0.000 1.424 641 L HN 0.956 nan 8.230 nan 0.000 0.412 642 M N 2.840 122.352 119.600 -0.147 0.000 2.593 642 M HA 0.638 5.119 4.480 0.001 0.000 0.290 642 M C -2.225 174.052 176.300 -0.038 0.000 1.244 642 M CA -0.609 54.635 55.300 -0.093 0.000 0.857 642 M CB 2.684 35.248 32.600 -0.060 0.000 1.738 642 M HN 0.703 nan 8.290 nan 0.000 0.461 643 L N 3.986 125.229 121.223 0.033 0.000 2.401 643 L HA 0.537 4.878 4.340 0.001 0.000 0.263 643 L C -0.897 176.096 176.870 0.206 0.000 1.004 643 L CA -0.520 54.415 54.840 0.158 0.000 0.881 643 L CB 1.442 43.668 42.059 0.278 0.000 1.219 643 L HN 0.708 nan 8.230 nan 0.000 0.441 644 R N 3.284 123.798 120.500 0.023 0.000 2.457 644 R HA 0.485 4.825 4.340 0.001 0.000 0.284 644 R C -2.539 173.424 176.300 -0.562 0.000 1.024 644 R CA -1.849 54.160 56.100 -0.151 0.000 1.025 644 R CB 0.538 30.788 30.300 -0.082 0.000 1.063 644 R HN 0.194 nan 8.270 nan 0.000 0.493 645 P HA 0.177 nan 4.420 nan 0.000 0.287 645 P C -0.993 176.106 177.300 -0.336 0.000 1.294 645 P CA -0.378 62.120 63.100 -1.004 0.000 0.776 645 P CB 0.989 32.254 31.700 -0.725 0.000 0.889 646 R N 3.305 123.688 120.500 -0.195 0.000 2.435 646 R HA 0.293 4.633 4.340 0.001 0.000 0.308 646 R C 0.559 176.927 176.300 0.113 0.000 0.975 646 R CA -0.653 55.421 56.100 -0.044 0.000 0.867 646 R CB 0.145 30.482 30.300 0.061 0.000 1.171 646 R HN 0.674 nan 8.270 nan 0.000 0.470 647 H N 0.718 119.787 119.070 -0.001 0.000 3.428 647 H HA -0.220 4.337 4.556 0.001 0.000 0.204 647 H C 0.737 176.034 175.328 -0.051 0.000 1.078 647 H CA 1.185 57.224 56.048 -0.015 0.000 1.183 647 H CB -1.104 28.642 29.762 -0.027 0.000 1.132 647 H HN 0.514 nan 8.280 nan 0.000 0.323 648 F N 0.748 120.598 119.950 -0.167 0.000 2.098 648 F HA 0.101 4.628 4.527 0.001 0.000 0.294 648 F C 1.067 176.566 175.800 -0.502 0.000 1.107 648 F CA 1.012 58.784 58.000 -0.380 0.000 1.234 648 F CB 0.154 38.786 39.000 -0.614 0.000 1.002 648 F HN -0.062 nan 8.300 nan 0.000 0.472 649 F N -0.516 119.466 119.950 0.052 0.000 2.457 649 F HA 0.258 4.785 4.527 0.001 0.000 0.330 649 F C 1.604 177.341 175.800 -0.104 0.000 1.069 649 F CA -0.250 57.723 58.000 -0.045 0.000 1.009 649 F CB 0.581 39.565 39.000 -0.027 0.000 1.276 649 F HN -0.247 nan 8.300 nan 0.000 0.492 650 T N -3.116 111.483 114.554 0.075 0.000 3.086 650 T HA 0.241 4.592 4.350 0.001 0.000 0.250 650 T C -0.146 174.593 174.700 0.064 0.000 1.074 650 T CA 0.113 62.145 62.100 -0.114 0.000 0.988 650 T CB -0.515 68.078 68.868 -0.458 0.000 0.988 650 T HN 0.731 nan 8.240 nan 0.000 0.530 651 E N 0.365 120.620 120.200 0.092 0.000 2.403 651 E HA 0.229 4.579 4.350 0.001 0.000 0.280 651 E C -1.533 175.052 176.600 -0.025 0.000 1.101 651 E CA -1.127 55.305 56.400 0.053 0.000 0.856 651 E CB 0.108 29.845 29.700 0.062 0.000 1.303 651 E HN -0.103 nan 8.360 nan 0.000 0.441 652 N N 2.351 121.001 118.700 -0.083 0.000 2.315 652 N HA -0.007 4.734 4.740 0.001 0.000 0.270 652 N C -1.361 174.038 175.510 -0.185 0.000 1.329 652 N CA -1.084 51.879 53.050 -0.146 0.000 0.860 652 N CB 0.777 39.134 38.487 -0.216 0.000 1.095 652 N HN 0.404 nan 8.380 nan 0.000 0.487 653 P HA 0.051 nan 4.420 nan 0.000 0.233 653 P C 0.701 177.897 177.300 -0.173 0.000 1.167 653 P CA 0.639 63.469 63.100 -0.450 0.000 0.770 653 P CB 0.099 31.090 31.700 -1.181 0.000 0.837 654 G N -0.313 108.470 108.800 -0.027 0.000 3.337 654 G HA2 0.095 4.055 3.960 0.001 0.000 0.246 654 G HA3 0.095 4.055 3.960 0.001 0.000 0.246 654 G C 1.208 176.261 174.900 0.256 0.000 1.131 654 G CA -0.185 44.995 45.100 0.133 0.000 0.773 654 G HN 0.173 nan 8.290 nan 0.000 0.544 655 L N 0.941 122.233 121.223 0.115 0.000 2.362 655 L HA 0.010 4.350 4.340 0.001 0.000 0.219 655 L C 1.854 178.797 176.870 0.121 0.000 1.134 655 L CA 0.946 55.841 54.840 0.092 0.000 0.807 655 L CB 0.001 42.021 42.059 -0.064 0.000 0.927 655 L HN 0.273 nan 8.230 nan 0.000 0.447 656 D N -0.425 120.044 120.400 0.114 0.000 2.325 656 D HA 0.048 4.688 4.640 0.001 0.000 0.225 656 D C 0.578 176.922 176.300 0.073 0.000 1.096 656 D CA -0.057 54.000 54.000 0.095 0.000 0.844 656 D CB -0.103 40.782 40.800 0.141 0.000 0.925 656 D HN 0.183 nan 8.370 nan 0.000 0.513 657 I N 1.428 122.052 120.570 0.090 0.000 2.395 657 I HA 0.019 4.189 4.170 0.001 0.000 0.289 657 I C 0.639 176.785 176.117 0.048 0.000 1.023 657 I CA -0.680 60.645 61.300 0.042 0.000 1.350 657 I CB 1.010 39.023 38.000 0.021 0.000 1.409 657 I HN -0.213 nan 8.210 nan 0.000 0.507 658 Q N 7.064 126.876 119.800 0.020 0.000 2.247 658 Q HA 0.129 4.469 4.340 0.001 0.000 0.288 658 Q C -2.127 173.885 176.000 0.021 0.000 1.079 658 Q CA -1.221 54.595 55.803 0.021 0.000 0.932 658 Q CB 0.160 28.904 28.738 0.008 0.000 1.133 658 Q HN 0.292 nan 8.270 nan 0.000 0.377 659 P HA 0.103 nan 4.420 nan 0.000 0.272 659 P C 0.343 177.664 177.300 0.035 0.000 1.230 659 P CA -0.130 62.995 63.100 0.042 0.000 0.788 659 P CB 0.783 32.525 31.700 0.070 0.000 0.949 660 S N -0.340 115.389 115.700 0.049 0.000 2.387 660 S HA -0.023 4.448 4.470 0.001 0.000 0.226 660 S C 0.114 174.810 174.600 0.160 0.000 1.026 660 S CA 1.100 59.346 58.200 0.076 0.000 0.972 660 S CB -0.409 62.830 63.200 0.064 0.000 0.814 660 S HN 0.606 nan 8.310 nan 0.000 0.477 661 Y N -0.382 119.926 120.300 0.015 0.000 2.513 661 Y HA 0.578 5.129 4.550 0.001 0.000 0.340 661 Y C -1.553 174.368 175.900 0.035 0.000 1.055 661 Y CA -1.046 57.067 58.100 0.022 0.000 1.020 661 Y CB 1.213 39.683 38.460 0.018 0.000 1.301 661 Y HN -0.054 nan 8.280 nan 0.000 0.453 662 A N 6.364 128.722 122.820 -0.771 0.000 2.480 662 A HA 0.655 4.975 4.320 0.001 0.000 0.289 662 A C -1.946 175.307 177.584 -0.552 0.000 1.044 662 A CA -0.469 51.301 52.037 -0.446 0.000 0.761 662 A CB 1.071 19.971 19.000 -0.166 0.000 1.289 662 A HN 0.839 nan 8.150 nan 0.000 0.401 663 M N 2.779 122.182 119.600 -0.328 0.000 2.197 663 M HA 0.531 5.012 4.480 0.001 0.000 0.301 663 M C -0.293 175.976 176.300 -0.051 0.000 0.987 663 M CA 0.135 55.331 55.300 -0.172 0.000 0.921 663 M CB 1.819 34.397 32.600 -0.037 0.000 1.569 663 M HN 0.656 nan 8.290 nan 0.000 0.431 664 T N 2.383 116.909 114.554 -0.048 0.000 2.788 664 T HA 0.213 4.564 4.350 0.001 0.000 0.287 664 T C 1.050 175.743 174.700 -0.011 0.000 1.007 664 T CA -0.105 61.982 62.100 -0.022 0.000 1.005 664 T CB 1.215 70.067 68.868 -0.027 0.000 1.012 664 T HN 0.855 nan 8.240 nan 0.000 0.530 665 T N 1.579 116.127 114.554 -0.009 0.000 2.777 665 T HA -0.114 4.236 4.350 0.001 0.000 0.266 665 T C 2.332 177.022 174.700 -0.018 0.000 1.040 665 T CA 1.759 63.850 62.100 -0.016 0.000 1.141 665 T CB -0.418 68.435 68.868 -0.025 0.000 0.868 665 T HN 0.753 nan 8.240 nan 0.000 0.444 666 S N 1.642 117.332 115.700 -0.018 0.000 2.368 666 S HA -0.101 4.369 4.470 0.001 0.000 0.224 666 S C 1.865 176.456 174.600 -0.014 0.000 1.029 666 S CA 1.082 59.271 58.200 -0.017 0.000 0.988 666 S CB -0.457 62.732 63.200 -0.017 0.000 0.838 666 S HN 0.581 nan 8.310 nan 0.000 0.462 667 E N 1.773 121.963 120.200 -0.016 0.000 2.110 667 E HA -0.030 4.321 4.350 0.001 0.000 0.193 667 E C 2.376 178.973 176.600 -0.005 0.000 0.988 667 E CA 0.991 57.382 56.400 -0.015 0.000 0.804 667 E CB -0.416 29.267 29.700 -0.027 0.000 0.745 667 E HN 0.741 nan 8.360 nan 0.000 0.458 668 A N 1.381 124.201 122.820 -0.001 0.000 1.969 668 A HA -0.187 4.133 4.320 0.001 0.000 0.218 668 A C 1.933 179.519 177.584 0.003 0.000 1.169 668 A CA 1.218 53.261 52.037 0.011 0.000 0.635 668 A CB -0.157 18.852 19.000 0.014 0.000 0.810 668 A HN 0.026 nan 8.150 nan 0.000 0.445 669 K N -0.704 119.692 120.400 -0.006 0.000 2.031 669 K HA -0.057 4.263 4.320 0.001 0.000 0.205 669 K C 2.338 178.935 176.600 -0.005 0.000 1.049 669 K CA 1.172 57.454 56.287 -0.008 0.000 0.939 669 K CB -0.168 32.324 32.500 -0.013 0.000 0.717 669 K HN 0.354 nan 8.250 nan 0.000 0.438 670 R N 0.404 120.901 120.500 -0.005 0.000 2.096 670 R HA -0.143 4.197 4.340 0.001 0.000 0.240 670 R C 2.163 178.464 176.300 0.001 0.000 1.139 670 R CA 1.518 57.616 56.100 -0.003 0.000 0.952 670 R CB -0.397 29.900 30.300 -0.005 0.000 0.854 670 R HN 0.184 nan 8.270 nan 0.000 0.436 671 A N 0.694 123.517 122.820 0.006 0.000 2.225 671 A HA 0.040 4.360 4.320 0.001 0.000 0.215 671 A C 0.671 178.261 177.584 0.010 0.000 1.164 671 A CA 0.692 52.736 52.037 0.012 0.000 0.710 671 A CB -0.201 18.814 19.000 0.024 0.000 0.780 671 A HN 0.157 nan 8.150 nan 0.000 0.473 672 V N 0.000 119.917 119.914 0.004 0.000 2.409 672 V HA 0.000 4.120 4.120 0.001 0.000 0.244 672 V CA 0.000 62.301 62.300 0.001 0.000 1.235 672 V CB 0.000 31.824 31.823 0.002 0.000 1.184 672 V HN 0.000 nan 8.190 nan 0.000 0.556