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 7req_1_C DATA FIRST_RESID 4 DATA SEQUENCE LPRFDSVDLG NAPVPADAAR RFEELAAKAG TGEAWETAEQ IPVGTLFNED DATA SEQUENCE VYKDMDWLDT YAGIPPFVHG PYATMYAFRP WTIRQYAGFS TAKESNAFYR DATA SEQUENCE RNLAAGQKGL SVAFDLPTHR GYDSDNPRVA GDVGMAGVAI DSIYDMRELF DATA SEQUENCE AGIPLDQMSV SMTMNGAVLP ILALYVVTAE EQGVKPEQLA GTIQNDILKE DATA SEQUENCE FMVRNTYIYP PQPSMRIISE IFAYTSANMP KWNSISISGY HMQEAGATAD DATA SEQUENCE IEMAYTLADG VDYIRAGESV GLNVDQFAPR LSFFWGIGMN FFMEVAKLRA DATA SEQUENCE ARMLWAKLVH QFGPKNPKSM SLRTHSQTSG WSLTAQDVYN NVVRTCIEAM DATA SEQUENCE AATQGHTQSL HTNSLDEAIA LPTDFSARIA RNTQLFLQQE SGTTRVIDPW DATA SEQUENCE SGSAYVEELT WDLARKAWGH IQEVEKVGGM AKAIEKGIPK MRIEEAAART DATA SEQUENCE QARIDSGRQP LIGVNKYRLE HEPPLDVLKV DNSTVLAEQK AKLVKLRAER DATA SEQUENCE DPEKVKAALD KITWAAGNPD DKDPDRNLLK LCIDAGRAMA TVGEMSDALE DATA SEQUENCE KVFGRYTAQI RTISGVYSKE VKNTPEVEEA RELVEEFEQA EGRRPRILLA DATA SEQUENCE KMGQDGHDRG QKVIATAYAD LGFDVDVGPL FQTPEETARQ AVEADVHVVG DATA SEQUENCE VSSLAGGHLT LVPALRKELD KLGRPDILIT VGGVIPEQDF DELRKDGAVE DATA SEQUENCE IYTPGTVIPE SAISLVKKLR ASLDA 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 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.839 176.870 -0.052 0.000 1.165 4 L CA 0.000 54.830 54.840 -0.017 0.000 0.813 4 L CB 0.000 42.065 42.059 0.009 0.000 0.961 5 P HA 0.260 nan 4.420 nan 0.000 0.265 5 P C -1.034 176.109 177.300 -0.262 0.000 1.193 5 P CA -0.298 62.649 63.100 -0.254 0.000 0.765 5 P CB 0.427 31.889 31.700 -0.397 0.000 0.823 6 R N 2.044 122.364 120.500 -0.301 0.000 2.494 6 R HA 0.304 4.644 4.340 -0.000 0.000 0.305 6 R C 0.161 176.296 176.300 -0.275 0.000 0.959 6 R CA -0.553 55.462 56.100 -0.142 0.000 0.864 6 R CB 0.704 30.972 30.300 -0.054 0.000 1.159 6 R HN 0.464 nan 8.270 nan 0.000 0.446 7 F N 1.123 121.075 119.950 0.004 0.000 2.765 7 F HA -0.021 4.506 4.527 -0.000 0.000 0.302 7 F C 1.835 177.637 175.800 0.004 0.000 1.111 7 F CA 0.186 58.189 58.000 0.004 0.000 1.359 7 F CB 0.286 39.289 39.000 0.004 0.000 1.097 7 F HN 0.514 nan 8.300 nan 0.000 0.577 8 D N -0.448 120.021 120.400 0.116 0.000 2.265 8 D HA -0.175 4.465 4.640 -0.000 0.000 0.208 8 D C 1.682 178.009 176.300 0.045 0.000 0.977 8 D CA 1.540 55.584 54.000 0.073 0.000 0.871 8 D CB -0.465 40.364 40.800 0.048 0.000 0.925 8 D HN 0.400 nan 8.370 nan 0.000 0.485 9 S N -0.473 115.240 115.700 0.022 0.000 2.512 9 S HA 0.183 4.653 4.470 -0.000 0.000 0.216 9 S C 0.766 175.373 174.600 0.011 0.000 1.006 9 S CA -0.558 57.645 58.200 0.006 0.000 0.915 9 S CB 0.176 63.364 63.200 -0.021 0.000 0.824 9 S HN 0.034 nan 8.310 nan 0.000 0.497 10 V N 3.502 123.434 119.914 0.030 0.000 2.583 10 V HA 0.319 4.439 4.120 -0.000 0.000 0.287 10 V C -0.142 176.007 176.094 0.093 0.000 1.051 10 V CA -0.544 61.790 62.300 0.055 0.000 1.010 10 V CB 0.794 32.674 31.823 0.095 0.000 0.988 10 V HN 0.328 nan 8.190 nan 0.000 0.478 11 D N 2.176 122.616 120.400 0.067 0.000 2.283 11 D HA 0.216 4.856 4.640 -0.000 0.000 0.248 11 D C 0.736 177.079 176.300 0.072 0.000 1.072 11 D CA -0.457 53.578 54.000 0.058 0.000 0.929 11 D CB 1.876 42.699 40.800 0.037 0.000 1.182 11 D HN 0.375 nan 8.370 nan 0.000 0.433 12 L N 1.635 122.891 121.223 0.055 0.000 2.044 12 L HA 0.126 4.466 4.340 -0.000 0.000 0.205 12 L C 0.991 177.885 176.870 0.040 0.000 1.075 12 L CA 2.133 57.001 54.840 0.047 0.000 0.747 12 L CB -0.742 41.335 42.059 0.029 0.000 0.903 12 L HN 0.735 nan 8.230 nan 0.000 0.435 13 G N -0.896 107.923 108.800 0.032 0.000 2.592 13 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.684 13 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.684 13 G C -0.070 174.842 174.900 0.020 0.000 1.291 13 G CA -0.005 45.110 45.100 0.026 0.000 0.891 13 G HN 0.645 nan 8.290 nan 0.000 0.544 14 N N 0.012 118.722 118.700 0.017 0.000 2.268 14 N HA 0.472 5.212 4.740 -0.000 0.000 0.204 14 N C 1.142 176.659 175.510 0.013 0.000 1.124 14 N CA 1.414 54.472 53.050 0.013 0.000 0.838 14 N CB 0.153 38.646 38.487 0.011 0.000 0.994 14 N HN 2.390 nan 8.380 nan 0.000 0.489 15 A N 0.927 123.756 122.820 0.015 0.000 2.203 15 A HA -0.135 4.185 4.320 -0.000 0.000 0.279 15 A C -2.004 175.587 177.584 0.012 0.000 1.396 15 A CA 0.022 52.067 52.037 0.014 0.000 0.747 15 A CB -1.955 17.052 19.000 0.012 0.000 1.151 15 A HN 0.556 nan 8.150 nan 0.000 0.345 16 P HA 0.482 nan 4.420 nan 0.000 0.278 16 P C -0.320 176.986 177.300 0.010 0.000 1.238 16 P CA -0.278 62.828 63.100 0.011 0.000 0.794 16 P CB 1.190 32.897 31.700 0.011 0.000 0.955 17 V N 4.418 124.337 119.914 0.008 0.000 2.364 17 V HA 0.234 4.354 4.120 -0.000 0.000 0.272 17 V C -1.644 174.455 176.094 0.009 0.000 1.036 17 V CA -1.362 60.942 62.300 0.007 0.000 0.880 17 V CB 0.377 32.201 31.823 0.002 0.000 0.991 17 V HN 0.633 nan 8.190 nan 0.000 0.460 18 P HA 0.194 nan 4.420 nan 0.000 0.269 18 P C 0.858 178.165 177.300 0.012 0.000 1.217 18 P CA -0.191 62.917 63.100 0.013 0.000 0.783 18 P CB 0.761 32.471 31.700 0.016 0.000 0.898 19 A N 1.915 124.741 122.820 0.011 0.000 1.908 19 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 19 A C 1.358 178.949 177.584 0.012 0.000 1.181 19 A CA 2.032 54.075 52.037 0.010 0.000 0.627 19 A CB -1.050 17.955 19.000 0.008 0.000 0.818 19 A HN 0.709 nan 8.150 nan 0.000 0.445 20 D N -0.740 119.668 120.400 0.015 0.000 2.358 20 D HA 0.423 5.063 4.640 -0.000 0.000 0.224 20 D C 1.272 177.589 176.300 0.029 0.000 1.123 20 D CA 0.622 54.633 54.000 0.018 0.000 0.833 20 D CB -0.301 40.508 40.800 0.015 0.000 0.946 20 D HN 0.302 nan 8.370 nan 0.000 0.505 21 A N 1.323 124.162 122.820 0.031 0.000 1.865 21 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 21 A C 2.435 180.064 177.584 0.075 0.000 1.191 21 A CA 2.340 54.404 52.037 0.045 0.000 0.623 21 A CB -1.034 17.982 19.000 0.028 0.000 0.826 21 A HN 0.379 nan 8.150 nan 0.000 0.444 22 A N -0.387 122.470 122.820 0.062 0.000 1.873 22 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 22 A C 2.295 179.948 177.584 0.116 0.000 1.193 22 A CA 2.214 54.307 52.037 0.094 0.000 0.629 22 A CB -0.630 18.401 19.000 0.050 0.000 0.826 22 A HN 0.582 nan 8.150 nan 0.000 0.447 23 R N -1.035 119.501 120.500 0.061 0.000 2.096 23 R HA -0.146 4.194 4.340 -0.000 0.000 0.235 23 R C 2.538 178.854 176.300 0.027 0.000 1.127 23 R CA 1.683 57.803 56.100 0.034 0.000 0.968 23 R CB -0.214 30.096 30.300 0.017 0.000 0.861 23 R HN 0.410 nan 8.270 nan 0.000 0.440 24 R N -0.264 120.263 120.500 0.045 0.000 2.075 24 R HA -0.127 4.213 4.340 -0.000 0.000 0.232 24 R C 1.975 178.308 176.300 0.055 0.000 1.126 24 R CA 1.712 57.836 56.100 0.039 0.000 0.963 24 R CB -1.243 29.085 30.300 0.047 0.000 0.858 24 R HN 0.529 nan 8.270 nan 0.000 0.435 25 F N 1.924 121.863 119.950 -0.019 0.000 2.102 25 F HA -0.083 4.444 4.527 -0.000 0.000 0.298 25 F C 2.282 178.065 175.800 -0.028 0.000 1.105 25 F CA 1.940 59.925 58.000 -0.024 0.000 1.239 25 F CB -0.414 38.568 39.000 -0.029 0.000 0.991 25 F HN 0.146 nan 8.300 nan 0.000 0.474 26 E N 0.689 120.743 120.200 -0.244 0.000 2.097 26 E HA -0.252 4.098 4.350 -0.000 0.000 0.196 26 E C 2.382 178.819 176.600 -0.270 0.000 1.000 26 E CA 1.821 58.036 56.400 -0.307 0.000 0.804 26 E CB -0.919 28.718 29.700 -0.104 0.000 0.740 26 E HN 0.745 nan 8.360 nan 0.000 0.454 27 E N 1.062 121.159 120.200 -0.171 0.000 2.107 27 E HA -0.051 4.299 4.350 -0.000 0.000 0.191 27 E C 2.257 178.767 176.600 -0.150 0.000 0.982 27 E CA 0.980 57.304 56.400 -0.126 0.000 0.809 27 E CB -0.749 nan 29.700 nan 0.000 0.756 27 E HN 0.226 nan 8.360 nan 0.000 0.459 28 L N -0.300 120.812 121.223 -0.185 0.000 2.109 28 L HA 0.044 4.384 4.340 -0.000 0.000 0.207 28 L C 3.114 179.841 176.870 -0.238 0.000 1.086 28 L CA 0.976 55.719 54.840 -0.162 0.000 0.760 28 L CB -0.249 41.754 42.059 -0.092 0.000 0.910 28 L HN 0.427 nan 8.230 nan 0.000 0.437 29 A N 0.229 122.783 122.820 -0.444 0.000 1.873 29 A HA -0.149 4.171 4.320 -0.000 0.000 0.215 29 A C 2.547 179.989 177.584 -0.237 0.000 1.186 29 A CA 1.715 53.493 52.037 -0.432 0.000 0.616 29 A CB -0.741 17.806 19.000 -0.755 0.000 0.823 29 A HN 0.368 nan 8.150 nan 0.000 0.442 30 A N -0.350 122.344 122.820 -0.209 0.000 1.902 30 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 30 A C 2.121 179.647 177.584 -0.098 0.000 1.181 30 A CA 1.795 53.755 52.037 -0.128 0.000 0.623 30 A CB -0.445 18.489 19.000 -0.109 0.000 0.818 30 A HN 0.504 nan 8.150 nan 0.000 0.443 31 K N -0.519 119.824 120.400 -0.096 0.000 2.147 31 K HA -0.042 4.278 4.320 -0.000 0.000 0.205 31 K C 1.932 178.497 176.600 -0.059 0.000 1.049 31 K CA 0.993 57.239 56.287 -0.068 0.000 0.936 31 K CB -0.227 32.237 32.500 -0.060 0.000 0.722 31 K HN 0.454 nan 8.250 nan 0.000 0.446 32 A N 0.287 123.065 122.820 -0.069 0.000 2.208 32 A HA 0.146 4.466 4.320 -0.000 0.000 0.209 32 A C 1.149 178.706 177.584 -0.045 0.000 1.161 32 A CA 0.864 52.870 52.037 -0.052 0.000 0.782 32 A CB -0.153 18.815 19.000 -0.054 0.000 0.816 32 A HN 0.391 nan 8.150 nan 0.000 0.477 33 G N -0.618 108.152 108.800 -0.050 0.000 2.203 33 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.231 33 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.231 33 G C 0.154 175.031 174.900 -0.038 0.000 1.058 33 G CA 0.143 45.220 45.100 -0.039 0.000 0.781 33 G HN 0.529 nan 8.290 nan 0.000 0.496 34 T N 0.577 115.098 114.554 -0.055 0.000 2.888 34 T HA 0.525 4.875 4.350 -0.000 0.000 0.301 34 T C 1.300 175.982 174.700 -0.031 0.000 1.001 34 T CA 0.798 62.871 62.100 -0.045 0.000 1.147 34 T CB 1.576 70.401 68.868 -0.071 0.000 0.931 34 T HN 0.983 nan 8.240 nan 0.000 0.541 35 G N 1.313 110.107 108.800 -0.011 0.000 3.039 35 G HA2 0.668 4.628 3.960 -0.000 0.000 0.159 35 G HA3 0.668 4.628 3.960 -0.000 0.000 0.159 35 G C -0.017 174.889 174.900 0.010 0.000 1.284 35 G CA -0.376 44.724 45.100 -0.000 0.000 0.996 35 G HN 0.898 nan 8.290 nan 0.000 0.592 36 E N -1.055 119.159 120.200 0.023 0.000 2.409 36 E HA 0.551 4.901 4.350 -0.000 0.000 0.257 36 E C 0.618 177.254 176.600 0.060 0.000 1.150 36 E CA -0.235 56.184 56.400 0.031 0.000 0.942 36 E CB 0.088 29.808 29.700 0.033 0.000 0.979 36 E HN 1.393 nan 8.360 nan 0.000 0.447 37 A N 0.584 123.440 122.820 0.059 0.000 2.531 37 A HA 0.347 4.667 4.320 -0.000 0.000 0.236 37 A C -0.006 177.680 177.584 0.170 0.000 1.062 37 A CA -0.021 52.074 52.037 0.097 0.000 0.760 37 A CB -0.255 18.781 19.000 0.060 0.000 0.995 37 A HN 1.008 nan 8.150 nan 0.000 0.501 38 W N 2.243 123.561 121.300 0.030 0.000 2.264 38 W HA 0.392 5.052 4.660 -0.000 0.000 0.331 38 W C -0.090 176.460 176.519 0.051 0.000 1.364 38 W CA -0.266 57.104 57.345 0.042 0.000 1.253 38 W CB 0.202 29.695 29.460 0.055 0.000 1.215 38 W HN 0.687 nan 8.180 nan 0.000 0.561 39 E N 4.509 124.641 120.200 -0.112 0.000 2.055 39 E HA 0.235 4.585 4.350 -0.000 0.000 0.274 39 E C 0.330 176.594 176.600 -0.560 0.000 0.949 39 E CA -0.324 55.901 56.400 -0.292 0.000 0.775 39 E CB 0.556 30.199 29.700 -0.096 0.000 1.097 39 E HN 0.406 nan 8.360 nan 0.000 0.404 40 T N 0.865 114.949 114.554 -0.784 0.000 2.748 40 T HA 0.257 4.607 4.350 -0.000 0.000 0.304 40 T C 1.385 175.909 174.700 -0.294 0.000 1.041 40 T CA -0.107 61.577 62.100 -0.693 0.000 1.033 40 T CB 1.314 69.783 68.868 -0.665 0.000 0.995 40 T HN 0.400 nan 8.240 nan 0.000 0.536 41 A N 0.144 122.863 122.820 -0.168 0.000 2.019 41 A HA -0.023 4.297 4.320 -0.000 0.000 0.219 41 A C 2.058 179.576 177.584 -0.109 0.000 1.164 41 A CA 1.338 53.317 52.037 -0.096 0.000 0.644 41 A CB -0.912 18.055 19.000 -0.055 0.000 0.805 41 A HN 0.874 nan 8.150 nan 0.000 0.449 42 E N -0.773 119.349 120.200 -0.131 0.000 2.482 42 E HA 0.041 4.391 4.350 -0.000 0.000 0.196 42 E C 0.183 176.720 176.600 -0.105 0.000 1.047 42 E CA 0.330 56.661 56.400 -0.115 0.000 0.869 42 E CB -0.187 29.436 29.700 -0.128 0.000 0.836 42 E HN 0.628 nan 8.360 nan 0.000 0.520 43 Q N -0.615 119.112 119.800 -0.122 0.000 2.481 43 Q HA -0.191 4.149 4.340 -0.000 0.000 0.283 43 Q C -0.910 175.028 176.000 -0.104 0.000 1.292 43 Q CA 0.286 56.026 55.803 -0.105 0.000 0.819 43 Q CB -1.729 26.968 28.738 -0.068 0.000 1.202 43 Q HN 0.330 nan 8.270 nan 0.000 0.446 44 I N 1.789 122.278 120.570 -0.136 0.000 2.354 44 I HA 0.324 4.494 4.170 -0.000 0.000 0.286 44 I C -2.013 174.027 176.117 -0.127 0.000 1.007 44 I CA -2.264 58.971 61.300 -0.108 0.000 1.167 44 I CB 1.237 39.173 38.000 -0.106 0.000 1.320 44 I HN -0.141 nan 8.210 nan 0.000 0.458 45 P HA 0.125 nan 4.420 nan 0.000 0.276 45 P C -0.616 176.724 177.300 0.066 0.000 1.243 45 P CA -0.127 62.959 63.100 -0.024 0.000 0.768 45 P CB 1.306 33.007 31.700 0.001 0.000 0.856 46 V N 4.502 124.479 119.914 0.104 0.000 2.326 46 V HA 0.453 4.573 4.120 -0.000 0.000 0.281 46 V C 1.110 177.356 176.094 0.253 0.000 1.015 46 V CA -0.273 62.211 62.300 0.307 0.000 0.823 46 V CB 1.160 33.220 31.823 0.395 0.000 1.009 46 V HN 0.735 nan 8.190 nan 0.000 0.436 47 G N 2.800 111.652 108.800 0.086 0.000 2.588 47 G HA2 0.332 4.292 3.960 -0.000 0.000 0.278 47 G HA3 0.332 4.292 3.960 -0.000 0.000 0.278 47 G C 1.034 175.881 174.900 -0.087 0.000 1.307 47 G CA 0.463 45.514 45.100 -0.081 0.000 1.016 47 G HN 0.749 nan 8.290 nan 0.000 0.503 48 T N -2.801 111.705 114.554 -0.081 0.000 3.107 48 T HA 0.387 4.737 4.350 -0.000 0.000 0.249 48 T C 0.126 174.786 174.700 -0.067 0.000 1.096 48 T CA 0.116 62.200 62.100 -0.026 0.000 1.012 48 T CB -0.217 68.689 68.868 0.062 0.000 0.977 48 T HN 0.461 nan 8.240 nan 0.000 0.527 49 L N 0.199 121.274 121.223 -0.245 0.000 2.666 49 L HA 0.618 4.958 4.340 -0.000 0.000 0.259 49 L C -2.190 174.415 176.870 -0.442 0.000 0.919 49 L CA -0.923 53.758 54.840 -0.266 0.000 0.927 49 L CB 1.599 43.423 42.059 -0.391 0.000 1.423 49 L HN 0.094 nan 8.230 nan 0.000 0.426 50 F N 3.212 123.067 119.950 -0.158 0.000 2.508 50 F HA 0.658 5.185 4.527 -0.000 0.000 0.325 50 F C 0.383 176.095 175.800 -0.147 0.000 1.090 50 F CA -0.243 57.688 58.000 -0.114 0.000 0.945 50 F CB 2.089 41.062 39.000 -0.045 0.000 1.156 50 F HN 0.539 nan 8.300 nan 0.000 0.463 51 N N -0.082 118.590 118.700 -0.047 0.000 3.038 51 N HA 0.181 4.921 4.740 -0.000 0.000 0.307 51 N C 0.509 175.860 175.510 -0.264 0.000 1.441 51 N CA -0.662 52.312 53.050 -0.126 0.000 0.772 51 N CB 0.896 39.305 38.487 -0.129 0.000 1.651 51 N HN 0.570 nan 8.380 nan 0.000 0.593 52 E N 0.459 120.496 120.200 -0.271 0.000 2.401 52 E HA -0.208 4.142 4.350 -0.000 0.000 0.199 52 E C 0.052 176.462 176.600 -0.316 0.000 1.023 52 E CA 1.176 57.346 56.400 -0.383 0.000 0.859 52 E CB -0.284 29.410 29.700 -0.010 0.000 0.780 52 E HN 0.702 nan 8.360 nan 0.000 0.523 53 D N 2.174 122.455 120.400 -0.198 0.000 2.264 53 D HA -0.150 4.490 4.640 -0.000 0.000 0.208 53 D C 2.144 178.369 176.300 -0.125 0.000 0.966 53 D CA 1.527 55.459 54.000 -0.114 0.000 0.864 53 D CB -0.648 40.110 40.800 -0.069 0.000 0.933 53 D HN 0.309 nan 8.370 nan 0.000 0.499 54 V N -1.431 118.363 119.914 -0.201 0.000 2.515 54 V HA -0.196 3.923 4.120 -0.000 0.000 0.250 54 V C 2.295 178.303 176.094 -0.142 0.000 1.058 54 V CA 0.915 63.142 62.300 -0.121 0.000 1.064 54 V CB -1.608 30.180 31.823 -0.058 0.000 0.675 54 V HN 0.118 nan 8.190 nan 0.000 0.461 55 Y N 1.134 121.357 120.300 -0.128 0.000 2.274 55 Y HA -0.203 4.347 4.550 -0.000 0.000 0.290 55 Y C 3.031 178.754 175.900 -0.296 0.000 1.145 55 Y CA 1.484 59.435 58.100 -0.249 0.000 1.203 55 Y CB -0.460 37.883 38.460 -0.194 0.000 0.984 55 Y HN 0.303 nan 8.280 nan 0.000 0.533 56 K N 0.764 121.131 120.400 -0.054 0.000 2.052 56 K HA -0.241 4.078 4.320 -0.000 0.000 0.215 56 K C 1.130 177.626 176.600 -0.173 0.000 1.053 56 K CA 2.330 58.561 56.287 -0.093 0.000 0.934 56 K CB -0.809 31.664 32.500 -0.046 0.000 0.717 56 K HN 0.414 nan 8.250 nan 0.000 0.450 57 D N -0.266 120.002 120.400 -0.220 0.000 2.349 57 D HA 0.129 4.769 4.640 -0.000 0.000 0.224 57 D C 0.443 176.299 176.300 -0.741 0.000 1.029 57 D CA 0.395 54.215 54.000 -0.300 0.000 0.879 57 D CB -0.106 40.681 40.800 -0.023 0.000 0.906 57 D HN 0.474 nan 8.370 nan 0.000 0.528 58 M N 0.928 119.980 119.600 -0.913 0.000 2.216 58 M HA 0.099 4.579 4.480 -0.000 0.000 0.356 58 M C 0.576 176.347 176.300 -0.881 0.000 1.205 58 M CA -0.321 54.171 55.300 -1.346 0.000 1.122 58 M CB 1.345 32.923 32.600 -1.702 0.000 1.571 58 M HN -0.248 nan 8.290 nan 0.000 0.464 59 D N 0.477 120.512 120.400 -0.608 0.000 2.431 59 D HA 0.005 4.645 4.640 -0.000 0.000 0.213 59 D C 0.640 176.847 176.300 -0.155 0.000 1.130 59 D CA -0.180 53.648 54.000 -0.286 0.000 0.834 59 D CB -0.237 40.493 40.800 -0.116 0.000 0.985 59 D HN 0.781 nan 8.370 nan 0.000 0.504 60 W N -0.061 121.114 121.300 -0.210 0.000 3.008 60 W HA 0.431 5.091 4.660 -0.000 0.000 0.355 60 W C 0.760 177.167 176.519 -0.187 0.000 1.095 60 W CA -0.553 56.677 57.345 -0.193 0.000 1.738 60 W CB -0.483 28.854 29.460 -0.205 0.000 1.091 60 W HN -0.186 nan 8.180 nan 0.000 0.574 61 L N 1.218 122.152 121.223 -0.481 0.000 2.261 61 L HA -0.113 4.226 4.340 -0.000 0.000 0.216 61 L C 1.047 177.805 176.870 -0.186 0.000 1.114 61 L CA 1.427 56.056 54.840 -0.350 0.000 0.777 61 L CB -0.450 41.287 42.059 -0.537 0.000 0.910 61 L HN -0.024 nan 8.230 nan 0.000 0.440 62 D N -0.053 120.249 120.400 -0.164 0.000 2.892 62 D HA 0.096 4.736 4.640 -0.000 0.000 0.291 62 D C 0.322 176.510 176.300 -0.187 0.000 1.341 62 D CA -0.017 53.880 54.000 -0.172 0.000 0.844 62 D CB 0.233 40.951 40.800 -0.136 0.000 1.093 62 D HN 0.143 nan 8.370 nan 0.000 0.480 63 T N -2.747 111.739 114.554 -0.113 0.000 2.923 63 T HA 0.567 4.916 4.350 -0.000 0.000 0.281 63 T C -0.166 174.427 174.700 -0.179 0.000 0.995 63 T CA -0.621 61.434 62.100 -0.075 0.000 0.985 63 T CB 1.352 70.216 68.868 -0.007 0.000 1.114 63 T HN -0.065 nan 8.240 nan 0.000 0.548 64 Y N -0.229 120.178 120.300 0.178 0.000 2.446 64 Y HA 0.610 5.160 4.550 -0.000 0.000 0.345 64 Y C 0.671 176.689 175.900 0.196 0.000 0.984 64 Y CA -1.221 56.985 58.100 0.176 0.000 1.058 64 Y CB 1.638 40.129 38.460 0.051 0.000 1.220 64 Y HN 1.057 nan 8.280 nan 0.000 0.455 65 A N 1.386 124.416 122.820 0.350 0.000 2.483 65 A HA 0.427 4.747 4.320 -0.000 0.000 0.238 65 A C 1.299 179.033 177.584 0.249 0.000 1.070 65 A CA 0.697 52.912 52.037 0.296 0.000 0.770 65 A CB -0.809 18.345 19.000 0.257 0.000 1.008 65 A HN 1.616 nan 8.150 nan 0.000 0.497 66 G N 0.209 109.190 108.800 0.301 0.000 2.148 66 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.254 66 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.254 66 G C -0.089 174.911 174.900 0.167 0.000 0.981 66 G CA 0.596 45.898 45.100 0.336 0.000 0.670 66 G HN 0.939 nan 8.290 nan 0.000 0.528 67 I N 0.841 121.306 120.570 -0.176 0.000 2.569 67 I HA 0.410 4.580 4.170 -0.000 0.000 0.290 67 I C -2.365 173.176 176.117 -0.960 0.000 1.088 67 I CA -2.686 58.349 61.300 -0.441 0.000 1.047 67 I CB 2.644 40.562 38.000 -0.138 0.000 1.237 67 I HN -0.207 nan 8.210 nan 0.000 0.421 68 P HA 0.053 nan 4.420 nan 0.000 0.264 68 P C -2.107 174.926 177.300 -0.444 0.000 1.183 68 P CA -0.770 61.774 63.100 -0.927 0.000 0.763 68 P CB -0.107 31.308 31.700 -0.475 0.000 0.807 69 P HA 0.158 nan 4.420 nan 0.000 0.253 69 P C -0.365 176.935 177.300 -0.001 0.000 1.459 69 P CA -0.460 62.544 63.100 -0.161 0.000 0.908 69 P CB -0.389 31.250 31.700 -0.102 0.000 1.470 70 F N -2.099 117.814 119.950 -0.061 0.000 3.090 70 F HA -0.222 4.305 4.527 -0.000 0.000 0.282 70 F C 1.782 177.513 175.800 -0.115 0.000 0.923 70 F CA 0.166 58.134 58.000 -0.053 0.000 0.977 70 F CB -2.401 36.583 39.000 -0.026 0.000 0.954 70 F HN -0.060 nan 8.300 nan 0.000 0.695 71 V N 0.271 120.116 119.914 -0.115 0.000 2.407 71 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 71 V C 2.312 178.274 176.094 -0.220 0.000 1.055 71 V CA 2.556 64.688 62.300 -0.279 0.000 1.049 71 V CB -0.253 31.266 31.823 -0.508 0.000 0.662 71 V HN 0.526 nan 8.190 nan 0.000 0.455 72 H N 0.325 119.411 119.070 0.026 0.000 2.556 72 H HA 0.427 4.983 4.556 -0.000 0.000 0.268 72 H C 0.948 176.350 175.328 0.123 0.000 0.996 72 H CA 0.832 56.904 56.048 0.040 0.000 1.157 72 H CB -0.143 29.648 29.762 0.050 0.000 1.355 72 H HN 0.598 nan 8.280 nan 0.000 0.597 73 G N 0.408 109.331 108.800 0.205 0.000 2.335 73 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.592 73 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.592 73 G C -2.221 172.751 174.900 0.119 0.000 1.442 73 G CA -0.510 44.678 45.100 0.146 0.000 0.976 73 G HN -0.155 nan 8.290 nan 0.000 0.652 74 P HA 0.038 nan 4.420 nan 0.000 0.221 74 P C 0.012 177.224 177.300 -0.145 0.000 1.150 74 P CA 1.166 64.057 63.100 -0.349 0.000 0.800 74 P CB 0.039 31.259 31.700 -0.798 0.000 0.787 75 Y N -1.247 119.143 120.300 0.150 0.000 2.409 75 Y HA 0.591 5.141 4.550 -0.000 0.000 0.339 75 Y C 1.840 177.820 175.900 0.133 0.000 1.033 75 Y CA -1.381 56.796 58.100 0.129 0.000 1.094 75 Y CB 0.202 38.720 38.460 0.096 0.000 1.210 75 Y HN -0.184 nan 8.280 nan 0.000 0.456 76 A N 1.009 123.987 122.820 0.264 0.000 1.933 76 A HA -0.168 4.151 4.320 -0.000 0.000 0.218 76 A C 1.853 179.522 177.584 0.143 0.000 1.175 76 A CA 2.451 54.591 52.037 0.171 0.000 0.628 76 A CB -1.059 17.999 19.000 0.097 0.000 0.814 76 A HN 0.866 nan 8.150 nan 0.000 0.444 77 T N -4.918 109.714 114.554 0.131 0.000 3.022 77 T HA 0.341 4.691 4.350 -0.000 0.000 0.250 77 T C 1.098 175.903 174.700 0.176 0.000 1.060 77 T CA 0.457 62.637 62.100 0.133 0.000 1.013 77 T CB -0.098 68.832 68.868 0.104 0.000 0.982 77 T HN 0.209 nan 8.240 nan 0.000 0.508 78 M N 0.968 120.687 119.600 0.198 0.000 7.319 78 M HA -0.284 4.196 4.480 -0.000 0.000 0.308 78 M C 1.111 177.527 176.300 0.194 0.000 0.480 78 M CA 1.783 57.139 55.300 0.095 0.000 1.311 78 M CB -2.058 30.395 32.600 -0.244 0.000 0.421 78 M HN 0.323 nan 8.290 nan 0.000 0.914 79 Y N 0.152 120.476 120.300 0.040 0.000 2.571 79 Y HA 0.273 4.823 4.550 -0.000 0.000 0.294 79 Y C 2.400 178.349 175.900 0.082 0.000 1.141 79 Y CA 0.962 59.106 58.100 0.074 0.000 1.308 79 Y CB -1.587 36.935 38.460 0.103 0.000 1.002 79 Y HN 0.608 nan 8.280 nan 0.000 0.551 80 A N -0.186 122.775 122.820 0.235 0.000 1.940 80 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 80 A C 2.091 179.798 177.584 0.203 0.000 1.176 80 A CA 1.880 54.025 52.037 0.181 0.000 0.631 80 A CB -1.004 18.088 19.000 0.154 0.000 0.814 80 A HN 0.446 nan 8.150 nan 0.000 0.446 81 F N -1.249 118.744 119.950 0.072 0.000 2.343 81 F HA 0.370 4.897 4.527 -0.000 0.000 0.286 81 F C 0.870 176.689 175.800 0.032 0.000 1.057 81 F CA 0.773 58.798 58.000 0.042 0.000 1.365 81 F CB 0.327 39.347 39.000 0.035 0.000 1.114 81 F HN 0.094 nan 8.300 nan 0.000 0.545 82 R N 0.855 121.361 120.500 0.011 0.000 2.535 82 R HA 0.315 4.655 4.340 -0.000 0.000 0.274 82 R C -2.993 173.343 176.300 0.060 0.000 1.090 82 R CA -2.054 53.969 56.100 -0.128 0.000 0.930 82 R CB 1.873 32.049 30.300 -0.207 0.000 1.223 82 R HN -0.119 nan 8.270 nan 0.000 0.441 83 P HA 0.126 nan 4.420 nan 0.000 0.276 83 P C -0.687 176.431 177.300 -0.303 0.000 1.252 83 P CA -0.415 62.456 63.100 -0.381 0.000 0.802 83 P CB 0.346 31.608 31.700 -0.731 0.000 1.035 84 W N 0.552 121.607 121.300 -0.408 0.000 2.160 84 W HA 0.252 4.912 4.660 -0.000 0.000 0.352 84 W C -0.573 175.902 176.519 -0.074 0.000 1.288 84 W CA -0.289 56.991 57.345 -0.107 0.000 1.279 84 W CB -1.453 27.940 29.460 -0.112 0.000 1.181 84 W HN 0.153 nan 8.180 nan 0.000 0.593 85 T N 3.832 118.464 114.554 0.130 0.000 2.794 85 T HA 0.261 4.611 4.350 -0.000 0.000 0.296 85 T C 0.217 174.987 174.700 0.118 0.000 0.949 85 T CA -0.386 61.726 62.100 0.020 0.000 1.101 85 T CB 0.225 69.136 68.868 0.073 0.000 0.905 85 T HN 0.309 nan 8.240 nan 0.000 0.516 86 I N 4.068 124.624 120.570 -0.023 0.000 2.421 86 I HA 0.225 4.395 4.170 -0.000 0.000 0.291 86 I C 0.938 177.110 176.117 0.093 0.000 1.089 86 I CA 0.172 61.528 61.300 0.093 0.000 1.354 86 I CB 0.194 38.191 38.000 -0.004 0.000 1.413 86 I HN 0.351 nan 8.210 nan 0.000 0.513 87 R N 6.350 126.950 120.500 0.167 0.000 2.487 87 R HA 0.229 4.569 4.340 -0.000 0.000 0.288 87 R C -0.975 175.461 176.300 0.226 0.000 1.394 87 R CA -0.669 55.511 56.100 0.134 0.000 1.155 87 R CB 0.760 31.127 30.300 0.111 0.000 1.156 87 R HN 0.526 nan 8.270 nan 0.000 0.553 88 Q N 3.105 123.025 119.800 0.199 0.000 2.279 88 Q HA 0.039 4.379 4.340 -0.000 0.000 0.256 88 Q C -0.777 175.443 176.000 0.366 0.000 0.937 88 Q CA -0.293 55.744 55.803 0.390 0.000 0.933 88 Q CB 1.317 30.165 28.738 0.184 0.000 1.189 88 Q HN 0.427 nan 8.270 nan 0.000 0.417 89 Y N 2.029 122.497 120.300 0.280 0.000 2.442 89 Y HA 0.356 4.906 4.550 -0.000 0.000 0.330 89 Y C -0.540 175.456 175.900 0.160 0.000 1.129 89 Y CA -0.433 57.656 58.100 -0.018 0.000 1.365 89 Y CB 0.424 38.671 38.460 -0.355 0.000 1.233 89 Y HN 0.675 nan 8.280 nan 0.000 0.529 90 A N 3.205 126.000 122.820 -0.042 0.000 2.601 90 A HA 0.828 5.148 4.320 -0.000 0.000 0.291 90 A C -0.663 177.014 177.584 0.156 0.000 1.075 90 A CA -0.203 51.938 52.037 0.173 0.000 0.671 90 A CB 1.085 20.433 19.000 0.579 0.000 1.277 90 A HN 1.661 nan 8.150 nan 0.000 0.417 91 G N -0.465 108.451 108.800 0.194 0.000 2.282 91 G HA2 0.691 4.651 3.960 -0.000 0.000 0.274 91 G HA3 0.691 4.651 3.960 -0.000 0.000 0.274 91 G C -1.116 173.825 174.900 0.068 0.000 1.718 91 G CA 0.104 45.211 45.100 0.012 0.000 0.927 91 G HN 2.226 nan 8.290 nan 0.000 0.733 92 F N 0.508 120.368 119.950 -0.150 0.000 2.719 92 F HA 0.832 5.358 4.527 -0.000 0.000 0.309 92 F C 0.676 176.406 175.800 -0.117 0.000 1.138 92 F CA -0.026 57.897 58.000 -0.129 0.000 0.943 92 F CB 1.145 40.051 39.000 -0.158 0.000 1.304 92 F HN 1.718 nan 8.300 nan 0.000 0.445 93 S N 0.635 116.352 115.700 0.029 0.000 4.137 93 S HA -0.258 4.211 4.470 -0.000 0.000 0.541 93 S C 0.453 174.966 174.600 -0.145 0.000 1.855 93 S CA 2.217 60.394 58.200 -0.039 0.000 4.197 93 S CB -2.010 61.224 63.200 0.056 0.000 0.627 93 S HN 2.034 nan 8.310 nan 0.000 0.490 94 T N -0.276 114.159 114.554 -0.200 0.000 2.902 94 T HA 0.811 5.161 4.350 -0.000 0.000 0.280 94 T C 1.263 175.801 174.700 -0.270 0.000 0.992 94 T CA 0.248 62.242 62.100 -0.176 0.000 1.015 94 T CB 1.323 70.117 68.868 -0.125 0.000 1.044 94 T HN 1.342 nan 8.240 nan 0.000 0.520 95 A N 0.795 123.496 122.820 -0.198 0.000 1.933 95 A HA -0.036 4.284 4.320 -0.000 0.000 0.218 95 A C 2.481 179.908 177.584 -0.262 0.000 1.175 95 A CA 1.760 53.659 52.037 -0.230 0.000 0.628 95 A CB -1.088 17.835 19.000 -0.130 0.000 0.814 95 A HN 0.714 nan 8.150 nan 0.000 0.444 96 K N -0.315 119.966 120.400 -0.198 0.000 2.009 96 K HA -0.159 4.161 4.320 -0.000 0.000 0.210 96 K C 2.011 178.481 176.600 -0.216 0.000 1.049 96 K CA 1.996 58.182 56.287 -0.169 0.000 0.929 96 K CB -0.587 31.844 32.500 -0.114 0.000 0.714 96 K HN 0.802 nan 8.250 nan 0.000 0.440 97 E N -0.291 119.747 120.200 -0.270 0.000 2.077 97 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 97 E C 2.337 178.623 176.600 -0.523 0.000 0.989 97 E CA 1.601 57.806 56.400 -0.323 0.000 0.800 97 E CB -0.128 29.343 29.700 -0.381 0.000 0.746 97 E HN 0.315 nan 8.360 nan 0.000 0.452 98 S N 0.818 116.067 115.700 -0.752 0.000 2.368 98 S HA -0.170 4.300 4.470 -0.000 0.000 0.224 98 S C 1.756 175.771 174.600 -0.975 0.000 1.029 98 S CA 0.891 58.547 58.200 -0.907 0.000 0.988 98 S CB -0.371 62.282 63.200 -0.911 0.000 0.838 98 S HN 0.337 nan 8.310 nan 0.000 0.462 99 N N 1.835 120.131 118.700 -0.674 0.000 2.069 99 N HA -0.164 4.576 4.740 -0.000 0.000 0.191 99 N C 1.847 177.239 175.510 -0.196 0.000 1.031 99 N CA 1.564 54.368 53.050 -0.410 0.000 0.852 99 N CB -0.303 38.044 38.487 -0.233 0.000 1.018 99 N HN 0.375 nan 8.380 nan 0.000 0.423 100 A N 0.401 123.141 122.820 -0.133 0.000 1.902 100 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 100 A C 2.050 179.680 177.584 0.076 0.000 1.181 100 A CA 0.958 52.987 52.037 -0.014 0.000 0.623 100 A CB -1.019 17.984 19.000 0.005 0.000 0.818 100 A HN 0.482 nan 8.150 nan 0.000 0.443 101 F N -0.362 119.535 119.950 -0.089 0.000 2.146 101 F HA -0.136 4.391 4.527 -0.000 0.000 0.298 101 F C 2.100 177.974 175.800 0.124 0.000 1.096 101 F CA 1.201 59.225 58.000 0.040 0.000 1.275 101 F CB -0.441 38.631 39.000 0.121 0.000 1.008 101 F HN 0.312 nan 8.300 nan 0.000 0.480 102 Y N 0.765 121.036 120.300 -0.048 0.000 2.128 102 Y HA -0.185 4.365 4.550 -0.000 0.000 0.284 102 Y C 2.665 178.505 175.900 -0.100 0.000 1.154 102 Y CA 1.470 59.498 58.100 -0.119 0.000 1.149 102 Y CB -1.434 36.993 38.460 -0.055 0.000 0.976 102 Y HN 0.055 nan 8.280 nan 0.000 0.505 103 R N -0.187 120.380 120.500 0.112 0.000 2.081 103 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 103 R C 2.394 178.705 176.300 0.018 0.000 1.131 103 R CA 1.387 57.522 56.100 0.058 0.000 0.960 103 R CB -0.283 30.048 30.300 0.052 0.000 0.856 103 R HN 0.311 nan 8.270 nan 0.000 0.436 104 R N 0.272 120.775 120.500 0.004 0.000 2.075 104 R HA -0.029 4.311 4.340 -0.000 0.000 0.232 104 R C 1.884 178.145 176.300 -0.065 0.000 1.126 104 R CA 1.213 57.308 56.100 -0.009 0.000 0.963 104 R CB -0.227 30.091 30.300 0.029 0.000 0.858 104 R HN 0.269 nan 8.270 nan 0.000 0.435 105 N N 0.932 119.537 118.700 -0.158 0.000 2.188 105 N HA -0.121 4.619 4.740 -0.000 0.000 0.184 105 N C 1.908 177.365 175.510 -0.089 0.000 1.018 105 N CA 1.094 54.036 53.050 -0.179 0.000 0.858 105 N CB -0.203 38.099 38.487 -0.308 0.000 0.989 105 N HN 0.191 nan 8.380 nan 0.000 0.426 106 L N 0.658 121.850 121.223 -0.053 0.000 2.093 106 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 106 L C 2.359 179.215 176.870 -0.023 0.000 1.085 106 L CA 0.956 55.779 54.840 -0.029 0.000 0.755 106 L CB -0.436 41.622 42.059 -0.002 0.000 0.904 106 L HN 0.099 nan 8.230 nan 0.000 0.435 107 A N -0.058 122.753 122.820 -0.016 0.000 2.015 107 A HA -0.018 4.302 4.320 -0.000 0.000 0.219 107 A C 2.241 179.815 177.584 -0.016 0.000 1.163 107 A CA 1.422 53.452 52.037 -0.011 0.000 0.646 107 A CB -0.473 18.526 19.000 -0.001 0.000 0.806 107 A HN 0.367 nan 8.150 nan 0.000 0.448 108 A N -1.995 120.811 122.820 -0.023 0.000 2.278 108 A HA 0.456 4.775 4.320 -0.000 0.000 0.212 108 A C 1.539 179.106 177.584 -0.028 0.000 1.213 108 A CA 1.098 53.122 52.037 -0.021 0.000 0.840 108 A CB -0.693 18.294 19.000 -0.022 0.000 0.866 108 A HN 1.698 nan 8.150 nan 0.000 0.489 109 G N -1.261 107.517 108.800 -0.037 0.000 2.255 109 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.196 109 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.196 109 G C 0.262 175.129 174.900 -0.054 0.000 0.998 109 G CA 0.117 45.189 45.100 -0.046 0.000 0.656 109 G HN 0.704 nan 8.290 nan 0.000 0.490 110 Q N 0.450 120.220 119.800 -0.050 0.000 2.361 110 Q HA 0.508 4.848 4.340 -0.000 0.000 0.276 110 Q C 1.353 177.322 176.000 -0.052 0.000 1.022 110 Q CA 0.692 56.467 55.803 -0.047 0.000 0.898 110 Q CB 0.884 29.590 28.738 -0.053 0.000 1.246 110 Q HN 0.258 nan 8.270 nan 0.000 0.410 111 K N 2.103 122.471 120.400 -0.053 0.000 2.287 111 K HA 0.270 4.590 4.320 -0.000 0.000 0.199 111 K C -0.064 176.509 176.600 -0.045 0.000 1.061 111 K CA 1.051 57.302 56.287 -0.060 0.000 0.976 111 K CB 0.540 32.987 32.500 -0.089 0.000 0.898 111 K HN 0.622 nan 8.250 nan 0.000 0.492 112 G N 0.151 108.928 108.800 -0.039 0.000 2.533 112 G HA2 0.548 4.508 3.960 -0.000 0.000 0.304 112 G HA3 0.548 4.508 3.960 -0.000 0.000 0.304 112 G C -1.484 173.377 174.900 -0.066 0.000 1.263 112 G CA -0.768 44.304 45.100 -0.047 0.000 0.964 112 G HN 0.080 nan 8.290 nan 0.000 0.479 113 L N 0.504 121.674 121.223 -0.088 0.000 2.360 113 L HA 0.703 5.043 4.340 -0.000 0.000 0.271 113 L C 0.296 177.076 176.870 -0.150 0.000 1.057 113 L CA -0.744 53.999 54.840 -0.160 0.000 0.803 113 L CB 2.022 43.982 42.059 -0.164 0.000 1.207 113 L HN 0.526 nan 8.230 nan 0.000 0.445 114 S N 1.613 117.206 115.700 -0.177 0.000 2.736 114 S HA 0.489 4.959 4.470 -0.000 0.000 0.285 114 S C -1.000 173.561 174.600 -0.065 0.000 1.163 114 S CA -0.585 57.569 58.200 -0.077 0.000 1.025 114 S CB 1.249 64.435 63.200 -0.023 0.000 1.030 114 S HN 0.232 nan 8.310 nan 0.000 0.486 115 V N 4.325 124.203 119.914 -0.060 0.000 2.432 115 V HA 0.721 4.841 4.120 -0.000 0.000 0.275 115 V C 0.690 176.603 176.094 -0.300 0.000 1.043 115 V CA -0.480 61.690 62.300 -0.217 0.000 0.925 115 V CB 0.941 32.574 31.823 -0.317 0.000 0.985 115 V HN 1.010 nan 8.190 nan 0.000 0.466 116 A N 5.698 128.216 122.820 -0.503 0.000 2.260 116 A HA 0.815 5.135 4.320 -0.000 0.000 0.308 116 A C -0.794 176.578 177.584 -0.355 0.000 1.254 116 A CA -0.291 51.450 52.037 -0.494 0.000 0.874 116 A CB 0.142 18.630 19.000 -0.854 0.000 1.153 116 A HN 0.633 nan 8.150 nan 0.000 0.527 117 F N 1.487 121.486 119.950 0.083 0.000 2.458 117 F HA 0.372 4.899 4.527 -0.000 0.000 0.330 117 F C 0.790 176.670 175.800 0.133 0.000 1.082 117 F CA -0.591 57.415 58.000 0.010 0.000 0.995 117 F CB 1.454 40.317 39.000 -0.228 0.000 1.170 117 F HN 0.740 nan 8.300 nan 0.000 0.478 118 D N 1.202 121.771 120.400 0.281 0.000 2.363 118 D HA 0.022 4.662 4.640 -0.000 0.000 0.240 118 D C 1.039 177.538 176.300 0.331 0.000 1.236 118 D CA -0.190 53.958 54.000 0.246 0.000 0.927 118 D CB 0.573 41.465 40.800 0.154 0.000 1.150 118 D HN 0.509 nan 8.370 nan 0.000 0.458 119 L N 0.110 121.487 121.223 0.256 0.000 2.012 119 L HA -0.101 4.239 4.340 -0.000 0.000 0.210 119 L C -0.559 176.419 176.870 0.181 0.000 1.073 119 L CA 1.386 56.358 54.840 0.220 0.000 0.748 119 L CB -1.535 40.608 42.059 0.141 0.000 0.891 119 L HN 0.386 nan 8.230 nan 0.000 0.431 120 P HA -0.148 nan 4.420 nan 0.000 0.215 120 P C 1.614 178.984 177.300 0.118 0.000 1.157 120 P CA 1.558 64.760 63.100 0.169 0.000 0.868 120 P CB -0.139 31.638 31.700 0.128 0.000 0.788 121 T N -1.391 113.205 114.554 0.069 0.000 2.684 121 T HA -0.212 4.138 4.350 -0.000 0.000 0.267 121 T C 1.659 176.278 174.700 -0.134 0.000 1.036 121 T CA 1.341 63.415 62.100 -0.043 0.000 1.148 121 T CB -1.138 67.701 68.868 -0.049 0.000 0.863 121 T HN 0.250 nan 8.240 nan 0.000 0.436 122 H N 1.390 120.423 119.070 -0.062 0.000 2.353 122 H HA -0.009 4.547 4.556 -0.000 0.000 0.298 122 H C 2.083 177.295 175.328 -0.194 0.000 1.103 122 H CA 1.235 57.215 56.048 -0.114 0.000 1.293 122 H CB -0.011 29.714 29.762 -0.061 0.000 1.372 122 H HN 0.285 nan 8.280 nan 0.000 0.501 123 R N 0.210 120.662 120.500 -0.078 0.000 2.335 123 R HA 0.083 4.423 4.340 -0.000 0.000 0.223 123 R C 0.849 176.851 176.300 -0.497 0.000 0.940 123 R CA 0.495 56.420 56.100 -0.291 0.000 1.086 123 R CB 0.253 30.389 30.300 -0.273 0.000 1.073 123 R HN 0.354 nan 8.270 nan 0.000 0.504 124 G N 1.330 109.919 108.800 -0.352 0.000 2.246 124 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.273 124 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.273 124 G C -0.459 174.186 174.900 -0.426 0.000 1.055 124 G CA 0.182 45.065 45.100 -0.362 0.000 0.851 124 G HN 0.412 nan 8.290 nan 0.000 0.500 125 Y N -0.149 120.105 120.300 -0.077 0.000 2.429 125 Y HA 0.501 5.051 4.550 -0.000 0.000 0.342 125 Y C 0.516 176.392 175.900 -0.040 0.000 1.004 125 Y CA -1.221 56.845 58.100 -0.056 0.000 1.075 125 Y CB 1.496 39.921 38.460 -0.059 0.000 1.214 125 Y HN 0.061 nan 8.280 nan 0.000 0.455 126 D N 0.250 120.733 120.400 0.138 0.000 2.329 126 D HA 0.107 4.747 4.640 -0.000 0.000 0.246 126 D C 0.649 176.989 176.300 0.068 0.000 1.111 126 D CA 0.023 54.064 54.000 0.068 0.000 0.941 126 D CB 1.700 42.524 40.800 0.039 0.000 1.169 126 D HN 0.560 nan 8.370 nan 0.000 0.441 127 S N 0.241 115.968 115.700 0.045 0.000 2.442 127 S HA -0.172 4.298 4.470 -0.000 0.000 0.236 127 S C 1.011 175.624 174.600 0.020 0.000 1.007 127 S CA 0.977 59.198 58.200 0.034 0.000 0.965 127 S CB -0.125 63.093 63.200 0.030 0.000 0.773 127 S HN 0.541 nan 8.310 nan 0.000 0.504 128 D N 0.526 120.937 120.400 0.019 0.000 2.328 128 D HA 0.026 4.666 4.640 -0.000 0.000 0.221 128 D C 0.151 176.454 176.300 0.004 0.000 1.072 128 D CA -0.161 53.845 54.000 0.010 0.000 0.850 128 D CB -0.594 40.212 40.800 0.011 0.000 0.922 128 D HN 0.079 nan 8.370 nan 0.000 0.516 129 N N 1.627 120.329 118.700 0.004 0.000 2.420 129 N HA 0.064 4.804 4.740 -0.000 0.000 0.262 129 N C -1.552 173.928 175.510 -0.051 0.000 1.144 129 N CA -1.415 51.626 53.050 -0.014 0.000 0.952 129 N CB 1.697 40.184 38.487 -0.001 0.000 1.081 129 N HN -0.150 nan 8.380 nan 0.000 0.480 130 P HA -0.175 nan 4.420 nan 0.000 0.216 130 P C 1.097 178.353 177.300 -0.073 0.000 1.150 130 P CA 1.733 64.805 63.100 -0.047 0.000 0.843 130 P CB 0.142 31.822 31.700 -0.032 0.000 0.787 131 R N 0.230 120.659 120.500 -0.119 0.000 2.316 131 R HA 0.073 4.413 4.340 -0.000 0.000 0.202 131 R C 1.893 178.084 176.300 -0.182 0.000 1.029 131 R CA 1.626 57.635 56.100 -0.151 0.000 1.018 131 R CB -1.654 28.515 30.300 -0.220 0.000 0.888 131 R HN 0.402 nan 8.270 nan 0.000 0.471 132 V N -4.628 115.179 119.914 -0.179 0.000 3.477 132 V HA 0.569 4.689 4.120 -0.000 0.000 0.297 132 V C 2.163 178.225 176.094 -0.054 0.000 1.433 132 V CA 0.064 62.283 62.300 -0.135 0.000 1.052 132 V CB -0.038 31.698 31.823 -0.145 0.000 0.895 132 V HN 0.369 nan 8.190 nan 0.000 0.438 133 A N 2.335 125.127 122.820 -0.047 0.000 1.881 133 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 133 A C 2.322 179.899 177.584 -0.012 0.000 1.215 133 A CA 2.768 54.791 52.037 -0.023 0.000 0.648 133 A CB -1.548 17.438 19.000 -0.022 0.000 0.832 133 A HN 0.934 nan 8.150 nan 0.000 0.455 134 G N -1.372 107.421 108.800 -0.012 0.000 2.498 134 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.219 134 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.219 134 G C 0.926 175.829 174.900 0.005 0.000 1.119 134 G CA 1.162 46.258 45.100 -0.008 0.000 0.766 134 G HN 0.557 nan 8.290 nan 0.000 0.552 135 D N -0.158 120.253 120.400 0.020 0.000 2.349 135 D HA 0.081 4.721 4.640 -0.000 0.000 0.214 135 D C 0.764 177.094 176.300 0.050 0.000 1.063 135 D CA -0.084 53.944 54.000 0.045 0.000 0.847 135 D CB 0.786 41.622 40.800 0.060 0.000 0.933 135 D HN 0.033 nan 8.370 nan 0.000 0.513 136 V N 1.195 121.129 119.914 0.034 0.000 2.458 136 V HA 0.191 4.311 4.120 -0.000 0.000 0.287 136 V C 1.654 177.773 176.094 0.041 0.000 1.009 136 V CA 0.985 63.309 62.300 0.039 0.000 1.091 136 V CB 0.364 32.202 31.823 0.025 0.000 0.960 136 V HN 0.468 nan 8.190 nan 0.000 0.476 137 G N 5.086 113.919 108.800 0.054 0.000 2.180 137 G HA2 -0.311 3.648 3.960 -0.000 0.000 0.263 137 G HA3 -0.311 3.648 3.960 -0.000 0.000 0.263 137 G C 0.708 175.652 174.900 0.074 0.000 0.989 137 G CA 0.624 45.757 45.100 0.054 0.000 0.692 137 G HN 0.518 nan 8.290 nan 0.000 0.526 138 M N -0.465 119.181 119.600 0.077 0.000 2.287 138 M HA 0.306 4.786 4.480 -0.000 0.000 0.266 138 M C 2.582 178.944 176.300 0.103 0.000 1.079 138 M CA 1.736 57.083 55.300 0.079 0.000 1.146 138 M CB -0.871 31.767 32.600 0.064 0.000 1.374 138 M HN 0.721 nan 8.290 nan 0.000 0.435 139 A N -0.584 122.311 122.820 0.125 0.000 2.390 139 A HA 0.576 4.896 4.320 -0.000 0.000 0.232 139 A C 1.020 178.687 177.584 0.138 0.000 1.233 139 A CA 0.608 52.734 52.037 0.147 0.000 0.907 139 A CB 0.039 19.148 19.000 0.181 0.000 0.967 139 A HN 0.487 nan 8.150 nan 0.000 0.512 140 G N -1.724 107.148 108.800 0.119 0.000 2.321 140 G HA2 0.400 4.360 3.960 -0.000 0.000 0.296 140 G HA3 0.400 4.360 3.960 -0.000 0.000 0.296 140 G C -1.137 173.785 174.900 0.036 0.000 1.287 140 G CA 0.090 45.230 45.100 0.065 0.000 0.846 140 G HN 0.645 nan 8.290 nan 0.000 0.508 141 V N 0.649 120.530 119.914 -0.054 0.000 2.637 141 V HA 0.559 4.679 4.120 -0.000 0.000 0.296 141 V C 0.968 177.085 176.094 0.038 0.000 1.046 141 V CA 0.360 62.609 62.300 -0.084 0.000 1.066 141 V CB 0.851 32.550 31.823 -0.207 0.000 0.968 141 V HN 1.805 nan 8.190 nan 0.000 0.483 142 A N 8.476 131.311 122.820 0.024 0.000 2.396 142 A HA 0.590 4.910 4.320 -0.000 0.000 0.279 142 A C -0.421 177.209 177.584 0.076 0.000 1.165 142 A CA -0.287 51.787 52.037 0.061 0.000 0.824 142 A CB -0.255 18.764 19.000 0.031 0.000 1.100 142 A HN 0.644 nan 8.150 nan 0.000 0.516 143 I N 3.228 123.869 120.570 0.117 0.000 2.410 143 I HA 0.297 4.467 4.170 -0.000 0.000 0.286 143 I C -0.343 175.805 176.117 0.052 0.000 1.009 143 I CA -0.305 61.063 61.300 0.114 0.000 1.111 143 I CB 1.511 39.631 38.000 0.200 0.000 1.262 143 I HN 0.684 nan 8.210 nan 0.000 0.443 144 D N 2.799 123.221 120.400 0.037 0.000 2.470 144 D HA 0.093 4.733 4.640 -0.000 0.000 0.238 144 D C 0.850 177.138 176.300 -0.019 0.000 1.054 144 D CA 0.763 54.767 54.000 0.007 0.000 0.896 144 D CB 1.333 42.138 40.800 0.008 0.000 1.118 144 D HN 0.599 nan 8.370 nan 0.000 0.497 145 S N -0.775 114.918 115.700 -0.012 0.000 2.800 145 S HA 0.188 4.658 4.470 -0.000 0.000 0.293 145 S C 0.611 175.207 174.600 -0.007 0.000 1.209 145 S CA -0.586 57.582 58.200 -0.054 0.000 0.884 145 S CB 0.847 63.948 63.200 -0.166 0.000 1.244 145 S HN -0.144 nan 8.310 nan 0.000 0.540 146 I N 1.173 121.723 120.570 -0.034 0.000 2.335 146 I HA -0.031 4.139 4.170 -0.000 0.000 0.251 146 I C 1.978 178.190 176.117 0.159 0.000 1.129 146 I CA 1.244 62.570 61.300 0.044 0.000 1.402 146 I CB -0.787 37.224 38.000 0.018 0.000 1.069 146 I HN 0.703 nan 8.210 nan 0.000 0.424 147 Y N 0.275 120.587 120.300 0.020 0.000 2.128 147 Y HA -0.313 4.237 4.550 -0.000 0.000 0.284 147 Y C 2.436 178.346 175.900 0.015 0.000 1.154 147 Y CA 0.890 58.998 58.100 0.013 0.000 1.149 147 Y CB -0.379 38.084 38.460 0.005 0.000 0.976 147 Y HN 0.253 nan 8.280 nan 0.000 0.505 148 D N -0.004 120.510 120.400 0.190 0.000 2.097 148 D HA -0.170 4.470 4.640 -0.000 0.000 0.197 148 D C 2.031 178.391 176.300 0.099 0.000 0.984 148 D CA 1.210 55.274 54.000 0.106 0.000 0.826 148 D CB -0.297 40.558 40.800 0.092 0.000 0.973 148 D HN 0.292 nan 8.370 nan 0.000 0.460 149 M N 0.892 120.583 119.600 0.152 0.000 2.117 149 M HA -0.114 4.366 4.480 -0.000 0.000 0.262 149 M C 2.066 178.510 176.300 0.240 0.000 1.065 149 M CA 1.252 56.691 55.300 0.231 0.000 1.114 149 M CB -0.084 32.671 32.600 0.257 0.000 1.361 149 M HN -0.176 nan 8.290 nan 0.000 0.408 150 R N -0.309 120.294 120.500 0.171 0.000 2.073 150 R HA -0.173 4.167 4.340 -0.000 0.000 0.234 150 R C 1.953 178.314 176.300 0.102 0.000 1.134 150 R CA 2.054 58.238 56.100 0.139 0.000 0.952 150 R CB -0.258 30.109 30.300 0.112 0.000 0.850 150 R HN 0.482 nan 8.270 nan 0.000 0.433 151 E N 0.233 120.464 120.200 0.051 0.000 2.106 151 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 151 E C 1.918 178.475 176.600 -0.071 0.000 0.984 151 E CA 0.914 57.308 56.400 -0.011 0.000 0.806 151 E CB -0.065 29.613 29.700 -0.037 0.000 0.750 151 E HN 0.179 nan 8.360 nan 0.000 0.458 152 L N -0.119 121.026 121.223 -0.131 0.000 2.042 152 L HA -0.154 4.185 4.340 -0.000 0.000 0.210 152 L C 1.286 177.869 176.870 -0.479 0.000 1.076 152 L CA 1.742 56.358 54.840 -0.372 0.000 0.749 152 L CB -0.133 41.634 42.059 -0.487 0.000 0.893 152 L HN 0.067 nan 8.230 nan 0.000 0.432 153 F N -0.261 119.757 119.950 0.114 0.000 2.641 153 F HA 0.430 4.957 4.527 -0.000 0.000 0.302 153 F C 1.255 177.093 175.800 0.063 0.000 1.098 153 F CA -0.164 57.905 58.000 0.115 0.000 1.318 153 F CB -0.640 38.426 39.000 0.110 0.000 1.035 153 F HN 0.002 nan 8.300 nan 0.000 0.551 154 A N 0.560 123.453 122.820 0.122 0.000 2.548 154 A HA 0.387 4.707 4.320 -0.000 0.000 0.247 154 A C 1.512 179.144 177.584 0.079 0.000 1.067 154 A CA 0.650 52.734 52.037 0.078 0.000 0.757 154 A CB -0.692 18.323 19.000 0.026 0.000 0.996 154 A HN 0.919 nan 8.150 nan 0.000 0.504 155 G N 1.345 110.189 108.800 0.073 0.000 2.198 155 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.260 155 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.260 155 G C -0.073 174.879 174.900 0.086 0.000 1.025 155 G CA 0.640 45.778 45.100 0.063 0.000 0.769 155 G HN 1.003 nan 8.290 nan 0.000 0.507 156 I N 0.764 121.409 120.570 0.125 0.000 2.563 156 I HA 0.254 4.424 4.170 -0.000 0.000 0.276 156 I C -2.400 173.791 176.117 0.123 0.000 1.074 156 I CA -2.296 59.095 61.300 0.153 0.000 1.124 156 I CB 2.273 40.431 38.000 0.264 0.000 1.225 156 I HN -0.186 nan 8.210 nan 0.000 0.482 157 P HA 0.105 nan 4.420 nan 0.000 0.264 157 P C 0.846 178.165 177.300 0.031 0.000 1.229 157 P CA 0.097 63.221 63.100 0.040 0.000 0.780 157 P CB 0.459 32.177 31.700 0.030 0.000 0.808 158 L N 2.245 123.463 121.223 -0.008 0.000 2.456 158 L HA -0.117 4.223 4.340 -0.000 0.000 0.224 158 L C 1.738 178.618 176.870 0.016 0.000 1.148 158 L CA 1.054 55.877 54.840 -0.029 0.000 0.825 158 L CB -0.569 41.375 42.059 -0.190 0.000 0.937 158 L HN 0.388 nan 8.230 nan 0.000 0.450 159 D N -0.766 119.643 120.400 0.015 0.000 2.333 159 D HA -0.158 4.482 4.640 -0.000 0.000 0.208 159 D C 1.581 177.901 176.300 0.034 0.000 0.984 159 D CA 0.640 54.657 54.000 0.028 0.000 0.873 159 D CB 0.034 40.842 40.800 0.014 0.000 0.935 159 D HN 0.423 nan 8.370 nan 0.000 0.521 160 Q N -1.016 118.802 119.800 0.031 0.000 2.246 160 Q HA 0.232 4.572 4.340 -0.000 0.000 0.222 160 Q C 0.130 176.148 176.000 0.030 0.000 0.851 160 Q CA -0.226 55.593 55.803 0.026 0.000 0.945 160 Q CB 0.820 29.570 28.738 0.020 0.000 1.122 160 Q HN 0.139 nan 8.270 nan 0.000 0.508 161 M N 0.440 120.067 119.600 0.045 0.000 2.456 161 M HA 0.333 4.812 4.480 -0.000 0.000 0.324 161 M C -0.929 175.402 176.300 0.051 0.000 1.124 161 M CA -0.702 54.626 55.300 0.045 0.000 0.959 161 M CB 2.228 34.868 32.600 0.067 0.000 1.692 161 M HN -0.188 nan 8.290 nan 0.000 0.444 162 S N 3.769 119.477 115.700 0.014 0.000 2.430 162 S HA 0.709 5.179 4.470 -0.000 0.000 0.289 162 S C -1.314 173.255 174.600 -0.051 0.000 1.143 162 S CA -0.589 57.596 58.200 -0.025 0.000 1.067 162 S CB -0.017 63.148 63.200 -0.057 0.000 0.964 162 S HN 0.590 nan 8.310 nan 0.000 0.485 163 V N 4.851 124.724 119.914 -0.069 0.000 2.409 163 V HA 0.512 4.632 4.120 -0.000 0.000 0.291 163 V C 0.224 176.173 176.094 -0.241 0.000 1.020 163 V CA -0.769 61.480 62.300 -0.085 0.000 0.848 163 V CB 1.618 33.444 31.823 0.006 0.000 0.990 163 V HN 0.843 nan 8.190 nan 0.000 0.430 164 S N 5.920 121.495 115.700 -0.209 0.000 2.508 164 S HA 0.786 5.256 4.470 -0.000 0.000 0.284 164 S C -0.579 173.967 174.600 -0.090 0.000 1.192 164 S CA -0.561 57.489 58.200 -0.250 0.000 1.070 164 S CB 0.680 63.698 63.200 -0.304 0.000 1.004 164 S HN 0.656 nan 8.310 nan 0.000 0.493 165 M N 3.402 122.999 119.600 -0.005 0.000 2.259 165 M HA 0.271 4.751 4.480 -0.000 0.000 0.304 165 M C -0.780 175.656 176.300 0.226 0.000 1.019 165 M CA -0.396 55.034 55.300 0.216 0.000 0.922 165 M CB 2.335 35.141 32.600 0.344 0.000 1.600 165 M HN 0.487 nan 8.290 nan 0.000 0.433 166 T N 4.253 119.023 114.554 0.359 0.000 2.997 166 T HA 0.550 4.900 4.350 -0.000 0.000 0.311 166 T C -0.726 174.216 174.700 0.403 0.000 1.079 166 T CA -0.220 62.072 62.100 0.319 0.000 0.982 166 T CB -0.198 68.893 68.868 0.372 0.000 1.032 166 T HN 0.491 nan 8.240 nan 0.000 0.581 167 M N 3.413 123.122 119.600 0.181 0.000 2.322 167 M HA 0.469 4.949 4.480 -0.000 0.000 0.286 167 M C -0.687 175.619 176.300 0.010 0.000 1.111 167 M CA -0.551 54.752 55.300 0.005 0.000 0.941 167 M CB 1.538 33.987 32.600 -0.251 0.000 1.671 167 M HN 0.198 nan 8.290 nan 0.000 0.470 168 N N 1.765 120.476 118.700 0.020 0.000 2.509 168 N HA 0.180 4.920 4.740 -0.000 0.000 0.254 168 N C 0.997 176.482 175.510 -0.043 0.000 1.064 168 N CA 0.738 53.775 53.050 -0.022 0.000 0.865 168 N CB 0.354 38.817 38.487 -0.041 0.000 1.659 168 N HN 0.770 nan 8.380 nan 0.000 0.495 169 G N 1.453 110.224 108.800 -0.048 0.000 2.505 169 G HA2 0.000 3.960 3.960 -0.000 0.000 0.214 169 G HA3 0.000 3.960 3.960 -0.000 0.000 0.214 169 G C 0.918 175.769 174.900 -0.083 0.000 1.237 169 G CA 1.005 46.045 45.100 -0.100 0.000 0.802 169 G HN 0.347 nan 8.290 nan 0.000 0.549 170 A N 0.246 122.990 122.820 -0.126 0.000 2.840 170 A HA 0.544 4.864 4.320 -0.000 0.000 0.269 170 A C 1.743 179.248 177.584 -0.131 0.000 1.439 170 A CA 0.139 52.102 52.037 -0.122 0.000 1.083 170 A CB -0.187 18.702 19.000 -0.185 0.000 1.019 170 A HN 0.336 nan 8.150 nan 0.000 0.607 171 V N -0.043 119.816 119.914 -0.091 0.000 2.332 171 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 171 V C 2.259 178.300 176.094 -0.089 0.000 1.055 171 V CA 2.437 64.681 62.300 -0.093 0.000 1.038 171 V CB -0.458 31.328 31.823 -0.062 0.000 0.651 171 V HN 0.760 nan 8.190 nan 0.000 0.450 172 L N 0.750 121.936 121.223 -0.062 0.000 1.970 172 L HA -0.109 4.231 4.340 -0.000 0.000 0.212 172 L C 0.279 177.090 176.870 -0.099 0.000 1.071 172 L CA 2.399 57.191 54.840 -0.080 0.000 0.751 172 L CB -2.098 39.928 42.059 -0.054 0.000 0.889 172 L HN 0.352 nan 8.230 nan 0.000 0.432 173 P HA -0.157 nan 4.420 nan 0.000 0.217 173 P C 1.840 179.081 177.300 -0.099 0.000 1.151 173 P CA 1.442 64.489 63.100 -0.089 0.000 0.828 173 P CB -0.005 31.646 31.700 -0.082 0.000 0.788 174 I N -0.631 119.854 120.570 -0.142 0.000 2.233 174 I HA -0.152 4.018 4.170 -0.000 0.000 0.243 174 I C 2.465 178.549 176.117 -0.054 0.000 1.093 174 I CA 0.938 62.144 61.300 -0.157 0.000 1.380 174 I CB -1.577 36.187 38.000 -0.392 0.000 1.067 174 I HN -0.053 nan 8.210 nan 0.000 0.413 175 L N 1.564 122.741 121.223 -0.077 0.000 2.046 175 L HA -0.120 4.219 4.340 -0.000 0.000 0.208 175 L C 2.564 179.384 176.870 -0.084 0.000 1.077 175 L CA 2.182 56.975 54.840 -0.077 0.000 0.747 175 L CB -0.955 41.027 42.059 -0.129 0.000 0.896 175 L HN 0.193 nan 8.230 nan 0.000 0.432 176 A N -0.712 122.040 122.820 -0.113 0.000 1.902 176 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 176 A C 2.261 179.808 177.584 -0.063 0.000 1.181 176 A CA 1.930 53.892 52.037 -0.124 0.000 0.623 176 A CB -0.847 18.080 19.000 -0.121 0.000 0.818 176 A HN 0.503 nan 8.150 nan 0.000 0.443 177 L N -2.271 118.943 121.223 -0.015 0.000 2.141 177 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 177 L C 2.538 179.450 176.870 0.070 0.000 1.094 177 L CA 1.434 56.290 54.840 0.026 0.000 0.763 177 L CB -0.516 41.574 42.059 0.052 0.000 0.908 177 L HN 0.608 nan 8.230 nan 0.000 0.437 178 Y N 0.146 120.432 120.300 -0.023 0.000 2.184 178 Y HA -0.185 4.365 4.550 -0.000 0.000 0.290 178 Y C 2.381 178.205 175.900 -0.127 0.000 1.129 178 Y CA 1.425 59.497 58.100 -0.047 0.000 1.144 178 Y CB -0.190 38.230 38.460 -0.067 0.000 0.995 178 Y HN -0.181 nan 8.280 nan 0.000 0.513 179 V N -0.742 119.121 119.914 -0.086 0.000 2.332 179 V HA -0.322 3.798 4.120 -0.000 0.000 0.248 179 V C 2.318 178.320 176.094 -0.154 0.000 1.055 179 V CA 1.843 64.048 62.300 -0.158 0.000 1.038 179 V CB -0.864 30.886 31.823 -0.123 0.000 0.651 179 V HN 0.357 nan 8.190 nan 0.000 0.450 180 V N -0.331 119.519 119.914 -0.107 0.000 2.358 180 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 180 V C 2.546 178.588 176.094 -0.086 0.000 1.047 180 V CA 2.533 64.788 62.300 -0.075 0.000 1.035 180 V CB -0.906 30.890 31.823 -0.045 0.000 0.658 180 V HN 0.611 nan 8.190 nan 0.000 0.452 181 T N 0.457 114.945 114.554 -0.111 0.000 2.708 181 T HA -0.157 4.193 4.350 -0.000 0.000 0.266 181 T C 2.089 176.674 174.700 -0.191 0.000 1.037 181 T CA 1.633 63.671 62.100 -0.104 0.000 1.146 181 T CB -0.438 68.393 68.868 -0.060 0.000 0.865 181 T HN 0.564 nan 8.240 nan 0.000 0.435 182 A N 1.352 123.964 122.820 -0.346 0.000 1.908 182 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 182 A C 2.195 179.688 177.584 -0.152 0.000 1.181 182 A CA 2.041 53.900 52.037 -0.297 0.000 0.627 182 A CB -0.713 18.077 19.000 -0.350 0.000 0.818 182 A HN 0.620 nan 8.150 nan 0.000 0.445 183 E N -0.053 120.076 120.200 -0.118 0.000 2.097 183 E HA -0.246 4.104 4.350 -0.000 0.000 0.196 183 E C 1.732 178.304 176.600 -0.047 0.000 1.000 183 E CA 1.564 57.923 56.400 -0.068 0.000 0.804 183 E CB -0.150 29.517 29.700 -0.055 0.000 0.740 183 E HN 0.773 nan 8.360 nan 0.000 0.454 184 E N -0.266 119.908 120.200 -0.044 0.000 2.418 184 E HA -0.123 4.227 4.350 -0.000 0.000 0.197 184 E C 1.683 178.271 176.600 -0.020 0.000 1.026 184 E CA 0.373 56.760 56.400 -0.022 0.000 0.862 184 E CB 0.128 29.823 29.700 -0.007 0.000 0.799 184 E HN 0.362 nan 8.360 nan 0.000 0.518 185 Q N -0.533 119.248 119.800 -0.033 0.000 2.319 185 Q HA 0.094 4.433 4.340 -0.000 0.000 0.202 185 Q C 0.716 176.701 176.000 -0.024 0.000 0.896 185 Q CA 0.362 56.149 55.803 -0.026 0.000 0.942 185 Q CB 1.103 29.817 28.738 -0.040 0.000 1.083 185 Q HN 0.360 nan 8.270 nan 0.000 0.510 186 G N 1.014 109.798 108.800 -0.027 0.000 2.149 186 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.235 186 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.235 186 G C -0.131 174.754 174.900 -0.024 0.000 1.018 186 G CA 0.042 45.129 45.100 -0.021 0.000 0.728 186 G HN 0.184 nan 8.290 nan 0.000 0.508 187 V N 0.530 120.421 119.914 -0.039 0.000 2.398 187 V HA 0.469 4.589 4.120 -0.000 0.000 0.286 187 V C 0.686 176.757 176.094 -0.039 0.000 1.026 187 V CA -0.823 61.455 62.300 -0.037 0.000 0.868 187 V CB 1.585 33.377 31.823 -0.053 0.000 0.982 187 V HN 0.368 nan 8.190 nan 0.000 0.443 188 K N 5.362 125.750 120.400 -0.020 0.000 2.107 188 K HA 0.341 4.661 4.320 -0.000 0.000 0.251 188 K C -1.610 174.984 176.600 -0.010 0.000 1.012 188 K CA -1.532 54.746 56.287 -0.015 0.000 0.920 188 K CB 0.625 33.121 32.500 -0.006 0.000 1.033 188 K HN 0.289 nan 8.250 nan 0.000 0.478 189 P HA -0.258 nan 4.420 nan 0.000 0.216 189 P C 0.877 178.192 177.300 0.026 0.000 1.150 189 P CA 1.433 64.536 63.100 0.006 0.000 0.843 189 P CB 0.061 31.782 31.700 0.035 0.000 0.787 190 E N 0.453 120.666 120.200 0.022 0.000 2.338 190 E HA -0.200 4.150 4.350 -0.000 0.000 0.197 190 E C 1.447 178.084 176.600 0.062 0.000 1.007 190 E CA 1.050 57.473 56.400 0.039 0.000 0.849 190 E CB -0.806 28.905 29.700 0.019 0.000 0.774 190 E HN 0.410 nan 8.360 nan 0.000 0.506 191 Q N 0.406 120.241 119.800 0.058 0.000 2.360 191 Q HA 0.240 4.580 4.340 -0.000 0.000 0.202 191 Q C 0.310 176.375 176.000 0.108 0.000 0.915 191 Q CA -0.083 55.759 55.803 0.065 0.000 0.943 191 Q CB 0.368 29.128 28.738 0.038 0.000 1.064 191 Q HN 0.253 nan 8.270 nan 0.000 0.511 192 L N 1.488 122.807 121.223 0.160 0.000 2.315 192 L HA 0.359 4.699 4.340 -0.000 0.000 0.283 192 L C -0.163 176.970 176.870 0.438 0.000 1.089 192 L CA -0.730 54.285 54.840 0.293 0.000 0.833 192 L CB 0.669 42.899 42.059 0.285 0.000 1.170 192 L HN -0.011 nan 8.230 nan 0.000 0.442 193 A N 3.082 126.094 122.820 0.320 0.000 2.317 193 A HA 0.939 5.259 4.320 -0.000 0.000 0.327 193 A C 0.276 177.872 177.584 0.020 0.000 1.178 193 A CA 0.229 52.363 52.037 0.162 0.000 0.817 193 A CB 1.426 20.464 19.000 0.063 0.000 1.189 193 A HN 0.839 nan 8.150 nan 0.000 0.489 194 G N -0.136 108.402 108.800 -0.437 0.000 2.345 194 G HA2 0.519 4.479 3.960 -0.000 0.000 0.285 194 G HA3 0.519 4.479 3.960 -0.000 0.000 0.285 194 G C -0.938 173.018 174.900 -1.573 0.000 1.297 194 G CA 0.089 44.610 45.100 -0.966 0.000 0.875 194 G HN 1.136 nan 8.290 nan 0.000 0.506 195 T N -0.170 113.507 114.554 -1.462 0.000 2.923 195 T HA 0.588 4.938 4.350 -0.000 0.000 0.311 195 T C -1.397 173.026 174.700 -0.462 0.000 1.183 195 T CA -0.261 61.250 62.100 -0.982 0.000 1.020 195 T CB 2.059 70.610 68.868 -0.529 0.000 1.165 195 T HN 0.950 nan 8.240 nan 0.000 0.482 196 I N 2.182 122.688 120.570 -0.106 0.000 2.433 196 I HA 0.395 4.565 4.170 -0.000 0.000 0.292 196 I C 1.272 177.387 176.117 -0.003 0.000 1.001 196 I CA -0.535 60.839 61.300 0.124 0.000 1.119 196 I CB 1.885 40.099 38.000 0.355 0.000 1.289 196 I HN 0.774 nan 8.210 nan 0.000 0.438 197 Q N 4.688 124.481 119.800 -0.012 0.000 1.993 197 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 197 Q C 0.679 176.640 176.000 -0.065 0.000 0.984 197 Q CA 1.779 57.559 55.803 -0.039 0.000 0.837 197 Q CB -0.030 28.716 28.738 0.013 0.000 0.902 197 Q HN 0.788 nan 8.270 nan 0.000 0.423 198 N N 1.386 120.052 118.700 -0.057 0.000 2.702 198 N HA -0.202 4.538 4.740 -0.000 0.000 0.255 198 N C -1.915 173.486 175.510 -0.183 0.000 0.983 198 N CA 1.129 54.114 53.050 -0.107 0.000 0.768 198 N CB -0.987 37.439 38.487 -0.101 0.000 0.918 198 N HN 0.381 nan 8.380 nan 0.000 0.540 199 D N 0.000 120.326 120.400 -0.125 0.000 2.438 199 D HA 0.231 4.871 4.640 -0.000 0.000 0.257 199 D C 0.876 177.189 176.300 0.021 0.000 1.148 199 D CA -0.609 53.338 54.000 -0.087 0.000 0.902 199 D CB 0.115 40.884 40.800 -0.051 0.000 1.062 199 D HN 0.222 nan 8.370 nan 0.000 0.518 200 I N 3.457 124.081 120.570 0.089 0.000 2.617 200 I HA -0.030 4.140 4.170 -0.000 0.000 0.256 200 I C 1.966 178.171 176.117 0.147 0.000 1.167 200 I CA 0.661 61.996 61.300 0.058 0.000 1.469 200 I CB 0.145 38.199 38.000 0.089 0.000 1.098 200 I HN 0.485 nan 8.210 nan 0.000 0.436 201 L N 0.477 121.852 121.223 0.253 0.000 2.042 201 L HA -0.249 4.090 4.340 -0.000 0.000 0.210 201 L C 2.391 179.342 176.870 0.135 0.000 1.076 201 L CA 1.859 56.812 54.840 0.189 0.000 0.749 201 L CB -0.938 41.148 42.059 0.046 0.000 0.893 201 L HN 0.284 nan 8.230 nan 0.000 0.432 202 K N -0.657 119.797 120.400 0.089 0.000 2.288 202 K HA -0.105 4.215 4.320 -0.000 0.000 0.201 202 K C 1.712 178.298 176.600 -0.023 0.000 1.048 202 K CA 0.911 57.221 56.287 0.038 0.000 0.956 202 K CB -0.191 32.331 32.500 0.036 0.000 0.746 202 K HN 0.124 nan 8.250 nan 0.000 0.461 203 E N 0.639 120.789 120.200 -0.083 0.000 2.047 203 E HA -0.083 4.267 4.350 -0.000 0.000 0.191 203 E C 1.856 178.424 176.600 -0.054 0.000 0.987 203 E CA 1.169 57.478 56.400 -0.150 0.000 0.799 203 E CB -0.393 29.135 29.700 -0.287 0.000 0.752 203 E HN 0.425 nan 8.360 nan 0.000 0.449 204 F N 0.646 120.659 119.950 0.105 0.000 2.146 204 F HA -0.102 4.425 4.527 -0.000 0.000 0.298 204 F C 2.675 178.502 175.800 0.045 0.000 1.096 204 F CA 1.000 59.013 58.000 0.022 0.000 1.275 204 F CB -0.307 38.581 39.000 -0.186 0.000 1.008 204 F HN -0.004 nan 8.300 nan 0.000 0.480 205 M N 0.117 119.819 119.600 0.170 0.000 2.099 205 M HA -0.120 4.360 4.480 -0.000 0.000 0.262 205 M C 1.633 177.981 176.300 0.080 0.000 1.067 205 M CA 2.178 57.531 55.300 0.089 0.000 1.124 205 M CB 0.084 32.706 32.600 0.036 0.000 1.353 205 M HN 0.131 nan 8.290 nan 0.000 0.410 206 V N -5.299 114.653 119.914 0.065 0.000 3.221 206 V HA 0.219 4.339 4.120 -0.000 0.000 0.254 206 V C 1.701 177.801 176.094 0.012 0.000 1.586 206 V CA 0.007 62.335 62.300 0.046 0.000 1.074 206 V CB -0.451 31.403 31.823 0.052 0.000 0.912 206 V HN 0.378 nan 8.190 nan 0.000 0.426 207 R N 0.773 121.248 120.500 -0.041 0.000 2.161 207 R HA 0.091 4.431 4.340 -0.000 0.000 0.213 207 R C 0.671 176.896 176.300 -0.125 0.000 1.055 207 R CA 1.022 57.056 56.100 -0.110 0.000 0.996 207 R CB 0.051 30.210 30.300 -0.235 0.000 0.901 207 R HN 0.645 nan 8.270 nan 0.000 0.456 208 N N 0.299 118.946 118.700 -0.088 0.000 2.776 208 N HA -0.131 4.609 4.740 -0.000 0.000 0.249 208 N C -0.506 174.782 175.510 -0.370 0.000 1.111 208 N CA 1.603 54.556 53.050 -0.163 0.000 0.711 208 N CB -1.612 36.839 38.487 -0.060 0.000 1.065 208 N HN 0.499 nan 8.380 nan 0.000 0.556 209 T N -3.100 111.216 114.554 -0.397 0.000 3.293 209 T HA 0.288 4.638 4.350 -0.000 0.000 0.276 209 T C 0.547 175.012 174.700 -0.392 0.000 1.003 209 T CA -0.729 61.143 62.100 -0.379 0.000 0.916 209 T CB -0.444 68.259 68.868 -0.276 0.000 1.134 209 T HN 0.278 nan 8.240 nan 0.000 0.530 210 Y N -0.366 119.780 120.300 -0.257 0.000 2.281 210 Y HA 0.697 5.247 4.550 -0.000 0.000 0.337 210 Y C 0.930 176.662 175.900 -0.279 0.000 1.304 210 Y CA -1.725 56.143 58.100 -0.386 0.000 1.465 210 Y CB 0.354 38.371 38.460 -0.737 0.000 1.350 210 Y HN -0.017 nan 8.280 nan 0.000 0.575 211 I N -1.750 118.757 120.570 -0.105 0.000 3.669 211 I HA 0.124 4.294 4.170 -0.000 0.000 0.255 211 I C -0.398 175.576 176.117 -0.238 0.000 1.144 211 I CA -0.540 60.524 61.300 -0.393 0.000 1.447 211 I CB 0.234 37.651 38.000 -0.971 0.000 1.622 211 I HN 0.485 nan 8.210 nan 0.000 0.435 212 Y N 1.623 122.038 120.300 0.190 0.000 2.432 212 Y HA 0.411 4.961 4.550 -0.000 0.000 0.322 212 Y C -2.291 173.735 175.900 0.209 0.000 1.246 212 Y CA -2.756 55.460 58.100 0.193 0.000 1.268 212 Y CB -0.597 37.932 38.460 0.116 0.000 1.276 212 Y HN -0.137 nan 8.280 nan 0.000 0.499 213 P HA 0.002 nan 4.420 nan 0.000 0.271 213 P C -2.031 175.197 177.300 -0.120 0.000 1.233 213 P CA -0.952 62.170 63.100 0.037 0.000 0.789 213 P CB 0.174 31.932 31.700 0.096 0.000 0.951 214 P HA -0.238 nan 4.420 nan 0.000 0.215 214 P C 1.563 178.716 177.300 -0.246 0.000 1.153 214 P CA 1.500 64.301 63.100 -0.499 0.000 0.853 214 P CB -0.237 30.977 31.700 -0.810 0.000 0.788 215 Q N 0.143 119.809 119.800 -0.224 0.000 2.002 215 Q HA -0.142 4.197 4.340 -0.000 0.000 0.204 215 Q C -0.792 175.056 176.000 -0.253 0.000 0.988 215 Q CA 2.757 58.444 55.803 -0.194 0.000 0.843 215 Q CB -2.149 26.493 28.738 -0.160 0.000 0.908 215 Q HN 0.191 nan 8.270 nan 0.000 0.420 216 P HA -0.027 nan 4.420 nan 0.000 0.217 216 P C 1.477 178.443 177.300 -0.556 0.000 1.150 216 P CA 1.443 64.083 63.100 -0.766 0.000 0.832 216 P CB -0.230 30.676 31.700 -1.324 0.000 0.787 217 S N -0.746 114.818 115.700 -0.227 0.000 2.368 217 S HA -0.082 4.388 4.470 -0.000 0.000 0.224 217 S C 1.914 176.470 174.600 -0.073 0.000 1.029 217 S CA 1.176 59.351 58.200 -0.041 0.000 0.988 217 S CB -0.723 62.571 63.200 0.156 0.000 0.838 217 S HN 0.054 nan 8.310 nan 0.000 0.462 218 M N 1.075 120.625 119.600 -0.084 0.000 2.159 218 M HA -0.016 4.464 4.480 -0.000 0.000 0.263 218 M C 2.173 178.397 176.300 -0.126 0.000 1.063 218 M CA 1.246 56.505 55.300 -0.067 0.000 1.110 218 M CB -1.133 31.432 32.600 -0.058 0.000 1.374 218 M HN 0.295 nan 8.290 nan 0.000 0.411 219 R N 0.572 120.965 120.500 -0.178 0.000 2.075 219 R HA -0.088 4.252 4.340 -0.000 0.000 0.232 219 R C 2.105 178.305 176.300 -0.167 0.000 1.126 219 R CA 1.173 57.170 56.100 -0.172 0.000 0.963 219 R CB -0.231 29.950 30.300 -0.199 0.000 0.858 219 R HN 0.294 nan 8.270 nan 0.000 0.435 220 I N 0.869 121.332 120.570 -0.179 0.000 2.127 220 I HA -0.346 3.824 4.170 -0.000 0.000 0.241 220 I C 2.361 178.364 176.117 -0.189 0.000 1.075 220 I CA 1.525 62.743 61.300 -0.136 0.000 1.334 220 I CB -0.266 37.681 38.000 -0.089 0.000 1.040 220 I HN 0.233 nan 8.210 nan 0.000 0.405 221 I N 0.525 120.944 120.570 -0.253 0.000 2.163 221 I HA -0.337 3.833 4.170 -0.000 0.000 0.243 221 I C 2.821 178.502 176.117 -0.725 0.000 1.085 221 I CA 1.944 62.962 61.300 -0.470 0.000 1.347 221 I CB -0.469 37.274 38.000 -0.429 0.000 1.044 221 I HN 0.367 nan 8.210 nan 0.000 0.408 222 S N 0.347 115.752 115.700 -0.492 0.000 2.399 222 S HA -0.194 4.276 4.470 -0.000 0.000 0.231 222 S C 1.757 176.250 174.600 -0.178 0.000 1.022 222 S CA 1.165 59.168 58.200 -0.328 0.000 0.983 222 S CB -0.450 62.665 63.200 -0.143 0.000 0.803 222 S HN 0.495 nan 8.310 nan 0.000 0.480 223 E N 0.715 120.832 120.200 -0.139 0.000 2.152 223 E HA 0.046 4.396 4.350 -0.000 0.000 0.192 223 E C 1.975 178.564 176.600 -0.019 0.000 0.983 223 E CA 1.050 57.417 56.400 -0.054 0.000 0.818 223 E CB -0.250 29.422 29.700 -0.047 0.000 0.758 223 E HN 0.610 nan 8.360 nan 0.000 0.467 224 I N 0.393 120.911 120.570 -0.086 0.000 2.286 224 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 224 I C 2.055 178.257 176.117 0.142 0.000 1.104 224 I CA 0.992 62.288 61.300 -0.006 0.000 1.397 224 I CB -0.209 37.748 38.000 -0.072 0.000 1.072 224 I HN 0.068 nan 8.210 nan 0.000 0.417 225 F N 0.901 120.846 119.950 -0.008 0.000 2.069 225 F HA -0.307 4.220 4.527 -0.000 0.000 0.298 225 F C 2.738 178.521 175.800 -0.027 0.000 1.113 225 F CA 0.772 58.747 58.000 -0.042 0.000 1.214 225 F CB -0.488 38.364 39.000 -0.247 0.000 0.978 225 F HN 0.071 nan 8.300 nan 0.000 0.474 226 A N -0.471 122.437 122.820 0.148 0.000 1.877 226 A HA -0.279 4.041 4.320 -0.000 0.000 0.216 226 A C 1.923 179.577 177.584 0.117 0.000 1.186 226 A CA 1.622 53.713 52.037 0.091 0.000 0.620 226 A CB -1.430 17.602 19.000 0.054 0.000 0.822 226 A HN 0.534 nan 8.150 nan 0.000 0.443 227 Y N 1.553 121.872 120.300 0.030 0.000 2.163 227 Y HA -0.227 4.323 4.550 -0.000 0.000 0.288 227 Y C 2.984 178.906 175.900 0.037 0.000 1.136 227 Y CA 2.660 60.771 58.100 0.018 0.000 1.147 227 Y CB -0.427 38.027 38.460 -0.010 0.000 0.987 227 Y HN 0.467 nan 8.280 nan 0.000 0.509 228 T N -2.560 112.146 114.554 0.253 0.000 2.867 228 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 228 T C 2.114 176.888 174.700 0.123 0.000 1.057 228 T CA 1.316 63.535 62.100 0.199 0.000 1.136 228 T CB -1.000 68.046 68.868 0.296 0.000 0.874 228 T HN 0.454 nan 8.240 nan 0.000 0.466 229 S N 2.147 117.921 115.700 0.122 0.000 2.383 229 S HA 0.163 4.633 4.470 -0.000 0.000 0.227 229 S C 2.437 177.054 174.600 0.028 0.000 1.026 229 S CA 0.770 59.029 58.200 0.097 0.000 0.981 229 S CB -0.850 62.425 63.200 0.126 0.000 0.818 229 S HN 0.732 nan 8.310 nan 0.000 0.472 230 A N 2.113 124.914 122.820 -0.032 0.000 1.930 230 A HA 0.144 4.464 4.320 -0.000 0.000 0.215 230 A C 2.063 179.564 177.584 -0.139 0.000 1.176 230 A CA 1.120 53.108 52.037 -0.081 0.000 0.632 230 A CB -0.325 18.606 19.000 -0.115 0.000 0.819 230 A HN 0.649 nan 8.150 nan 0.000 0.445 231 N N -1.617 116.939 118.700 -0.240 0.000 2.257 231 N HA 0.224 4.964 4.740 -0.000 0.000 0.200 231 N C -0.271 175.175 175.510 -0.108 0.000 1.163 231 N CA 0.293 53.190 53.050 -0.255 0.000 0.891 231 N CB 0.618 38.735 38.487 -0.616 0.000 1.067 231 N HN 0.388 nan 8.380 nan 0.000 0.497 232 M N 1.598 121.189 119.600 -0.014 0.000 2.126 232 M HA 0.275 4.755 4.480 -0.000 0.000 0.217 232 M C -2.049 174.342 176.300 0.151 0.000 0.873 232 M CA -1.504 53.850 55.300 0.091 0.000 0.707 232 M CB 2.238 34.911 32.600 0.122 0.000 1.515 232 M HN -0.228 nan 8.290 nan 0.000 0.369 233 P HA -0.118 nan 4.420 nan 0.000 0.222 233 P C 0.504 177.879 177.300 0.126 0.000 1.147 233 P CA 1.281 64.445 63.100 0.106 0.000 0.790 233 P CB 0.134 31.875 31.700 0.068 0.000 0.780 234 K N -2.408 118.085 120.400 0.155 0.000 2.374 234 K HA 0.035 4.355 4.320 -0.000 0.000 0.196 234 K C 0.578 177.289 176.600 0.186 0.000 1.023 234 K CA -0.181 56.192 56.287 0.143 0.000 1.103 234 K CB 0.151 32.734 32.500 0.138 0.000 0.848 234 K HN 0.215 nan 8.250 nan 0.000 0.528 235 W N 3.165 124.491 121.300 0.044 0.000 2.338 235 W HA 0.182 4.842 4.660 -0.000 0.000 0.307 235 W C -0.790 175.751 176.519 0.037 0.000 1.167 235 W CA -0.458 56.911 57.345 0.039 0.000 1.208 235 W CB 0.612 30.109 29.460 0.061 0.000 1.228 235 W HN -0.025 nan 8.180 nan 0.000 0.499 236 N N 3.342 121.806 118.700 -0.393 0.000 2.411 236 N HA -0.054 4.686 4.740 -0.000 0.000 0.259 236 N C 1.101 176.541 175.510 -0.118 0.000 1.103 236 N CA 0.288 53.214 53.050 -0.207 0.000 0.954 236 N CB 1.526 39.851 38.487 -0.270 0.000 1.085 236 N HN 0.381 nan 8.380 nan 0.000 0.485 237 S N 1.866 117.647 115.700 0.136 0.000 2.522 237 S HA 0.111 4.581 4.470 -0.000 0.000 0.227 237 S C 0.786 175.504 174.600 0.197 0.000 0.986 237 S CA 0.179 58.559 58.200 0.300 0.000 0.929 237 S CB 0.258 63.726 63.200 0.446 0.000 0.769 237 S HN 0.665 nan 8.310 nan 0.000 0.529 238 I N -0.485 120.115 120.570 0.050 0.000 2.882 238 I HA 0.394 4.564 4.170 -0.000 0.000 0.298 238 I C -1.657 174.354 176.117 -0.177 0.000 1.462 238 I CA -0.496 60.761 61.300 -0.071 0.000 1.000 238 I CB 2.037 39.997 38.000 -0.067 0.000 1.340 238 I HN -0.019 nan 8.210 nan 0.000 0.462 239 S N 7.231 122.814 115.700 -0.195 0.000 2.426 239 S HA 0.535 5.005 4.470 -0.000 0.000 0.236 239 S C -0.436 174.038 174.600 -0.210 0.000 1.368 239 S CA -0.568 57.515 58.200 -0.195 0.000 1.154 239 S CB -0.181 62.941 63.200 -0.129 0.000 1.037 239 S HN 0.394 nan 8.310 nan 0.000 0.481 240 I N 4.120 124.427 120.570 -0.438 0.000 2.576 240 I HA 0.072 4.242 4.170 -0.000 0.000 0.288 240 I C 0.384 176.330 176.117 -0.284 0.000 1.126 240 I CA 0.334 61.370 61.300 -0.440 0.000 1.362 240 I CB 0.252 37.708 38.000 -0.906 0.000 1.419 240 I HN 0.415 nan 8.210 nan 0.000 0.533 241 S N 4.154 119.830 115.700 -0.040 0.000 2.509 241 S HA 0.542 5.012 4.470 -0.000 0.000 0.297 241 S C 0.903 175.536 174.600 0.054 0.000 1.118 241 S CA -0.620 57.593 58.200 0.021 0.000 1.074 241 S CB 1.929 65.300 63.200 0.285 0.000 1.038 241 S HN 0.791 nan 8.310 nan 0.000 0.498 242 G N -0.093 108.690 108.800 -0.029 0.000 2.833 242 G HA2 0.013 3.973 3.960 -0.000 0.000 0.214 242 G HA3 0.013 3.973 3.960 -0.000 0.000 0.214 242 G C 0.871 175.771 174.900 -0.001 0.000 1.075 242 G CA -0.185 45.000 45.100 0.142 0.000 0.799 242 G HN 0.687 nan 8.290 nan 0.000 0.541 243 Y N 2.210 122.226 120.300 -0.474 0.000 2.069 243 Y HA -0.341 4.209 4.550 -0.000 0.000 0.278 243 Y C 2.714 178.319 175.900 -0.491 0.000 1.175 243 Y CA 2.668 60.344 58.100 -0.706 0.000 1.134 243 Y CB -0.332 37.108 38.460 -1.701 0.000 0.965 243 Y HN 0.411 nan 8.280 nan 0.000 0.498 244 H N -1.033 117.919 119.070 -0.197 0.000 2.387 244 H HA -0.159 4.397 4.556 -0.000 0.000 0.299 244 H C 2.189 177.427 175.328 -0.150 0.000 1.090 244 H CA 1.995 57.956 56.048 -0.144 0.000 1.332 244 H CB -0.523 29.240 29.762 0.000 0.000 1.386 244 H HN 0.387 nan 8.280 nan 0.000 0.516 245 M N 0.217 119.830 119.600 0.022 0.000 2.117 245 M HA -0.214 4.266 4.480 -0.000 0.000 0.262 245 M C 2.472 178.706 176.300 -0.109 0.000 1.065 245 M CA 1.700 57.002 55.300 0.004 0.000 1.114 245 M CB -0.187 32.463 32.600 0.082 0.000 1.361 245 M HN 0.331 nan 8.290 nan 0.000 0.408 246 Q N 0.615 120.305 119.800 -0.183 0.000 2.050 246 Q HA -0.197 4.143 4.340 -0.000 0.000 0.202 246 Q C 1.807 177.614 176.000 -0.323 0.000 0.980 246 Q CA 1.326 56.984 55.803 -0.240 0.000 0.840 246 Q CB 0.083 28.685 28.738 -0.226 0.000 0.898 246 Q HN 0.397 nan 8.270 nan 0.000 0.424 247 E N 0.190 120.151 120.200 -0.399 0.000 2.153 247 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 247 E C 1.744 178.207 176.600 -0.229 0.000 0.988 247 E CA 1.133 57.343 56.400 -0.316 0.000 0.811 247 E CB -0.189 29.292 29.700 -0.364 0.000 0.746 247 E HN 0.499 nan 8.360 nan 0.000 0.466 248 A N -0.227 122.489 122.820 -0.174 0.000 2.119 248 A HA 0.183 4.503 4.320 -0.000 0.000 0.217 248 A C 1.800 179.263 177.584 -0.201 0.000 1.153 248 A CA 1.526 53.488 52.037 -0.126 0.000 0.692 248 A CB 0.030 18.999 19.000 -0.053 0.000 0.799 248 A HN 0.342 nan 8.150 nan 0.000 0.458 249 G N -2.732 105.895 108.800 -0.288 0.000 2.318 249 G HA2 0.243 4.203 3.960 -0.000 0.000 0.172 249 G HA3 0.243 4.203 3.960 -0.000 0.000 0.172 249 G C 0.390 175.145 174.900 -0.241 0.000 1.002 249 G CA -0.008 44.902 45.100 -0.317 0.000 0.697 249 G HN 1.362 nan 8.290 nan 0.000 0.483 250 A N 1.393 124.102 122.820 -0.186 0.000 2.498 250 A HA 0.590 4.910 4.320 -0.000 0.000 0.239 250 A C 1.135 178.610 177.584 -0.182 0.000 1.068 250 A CA 1.277 53.213 52.037 -0.167 0.000 0.766 250 A CB -0.030 18.889 19.000 -0.134 0.000 1.003 250 A HN 1.674 nan 8.150 nan 0.000 0.497 251 T N -0.132 114.315 114.554 -0.177 0.000 2.828 251 T HA 0.477 4.827 4.350 -0.000 0.000 0.290 251 T C 1.461 176.065 174.700 -0.161 0.000 1.019 251 T CA -0.089 61.916 62.100 -0.157 0.000 1.031 251 T CB 1.067 69.851 68.868 -0.139 0.000 1.001 251 T HN 1.308 nan 8.240 nan 0.000 0.531 252 A N 2.090 124.821 122.820 -0.148 0.000 1.884 252 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 252 A C 2.144 179.628 177.584 -0.167 0.000 1.197 252 A CA 2.207 54.145 52.037 -0.165 0.000 0.637 252 A CB -1.204 17.693 19.000 -0.172 0.000 0.827 252 A HN 1.041 nan 8.150 nan 0.000 0.450 253 D N -0.114 120.209 120.400 -0.128 0.000 2.117 253 D HA -0.169 4.471 4.640 -0.000 0.000 0.197 253 D C 1.818 178.062 176.300 -0.093 0.000 0.987 253 D CA 1.417 55.379 54.000 -0.063 0.000 0.829 253 D CB -0.525 40.290 40.800 0.025 0.000 0.961 253 D HN 0.382 nan 8.370 nan 0.000 0.460 254 I N 1.487 121.897 120.570 -0.266 0.000 2.286 254 I HA -0.164 4.006 4.170 -0.000 0.000 0.245 254 I C 2.617 178.481 176.117 -0.423 0.000 1.104 254 I CA 0.851 61.809 61.300 -0.569 0.000 1.397 254 I CB -1.017 36.617 38.000 -0.610 0.000 1.072 254 I HN 0.196 nan 8.210 nan 0.000 0.417 255 E N 1.087 121.168 120.200 -0.199 0.000 2.031 255 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 255 E C 2.366 179.023 176.600 0.096 0.000 0.994 255 E CA 1.439 57.826 56.400 -0.022 0.000 0.800 255 E CB -0.033 29.661 29.700 -0.011 0.000 0.752 255 E HN 0.353 nan 8.360 nan 0.000 0.447 256 M N 0.666 120.248 119.600 -0.030 0.000 2.065 256 M HA -0.168 4.312 4.480 -0.000 0.000 0.259 256 M C 2.582 178.985 176.300 0.172 0.000 1.069 256 M CA 1.798 57.106 55.300 0.013 0.000 1.110 256 M CB -0.390 32.127 32.600 -0.138 0.000 1.328 256 M HN 0.240 nan 8.290 nan 0.000 0.405 257 A N -0.127 122.747 122.820 0.089 0.000 1.883 257 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 257 A C 2.001 179.740 177.584 0.259 0.000 1.186 257 A CA 1.578 53.705 52.037 0.149 0.000 0.624 257 A CB -1.368 17.695 19.000 0.104 0.000 0.822 257 A HN 0.599 nan 8.150 nan 0.000 0.444 258 Y N -0.110 120.252 120.300 0.104 0.000 2.242 258 Y HA -0.170 4.380 4.550 -0.000 0.000 0.291 258 Y C 2.977 178.966 175.900 0.148 0.000 1.137 258 Y CA 0.967 59.121 58.100 0.091 0.000 1.181 258 Y CB -0.377 38.111 38.460 0.046 0.000 0.989 258 Y HN 0.315 nan 8.280 nan 0.000 0.527 259 T N 0.703 115.486 114.554 0.381 0.000 2.812 259 T HA -0.127 4.223 4.350 -0.000 0.000 0.264 259 T C 1.881 176.815 174.700 0.391 0.000 1.042 259 T CA 1.040 63.351 62.100 0.351 0.000 1.140 259 T CB -0.419 68.700 68.868 0.418 0.000 0.870 259 T HN 0.224 nan 8.240 nan 0.000 0.445 260 L N 0.764 122.256 121.223 0.449 0.000 2.093 260 L HA 0.027 4.367 4.340 -0.000 0.000 0.208 260 L C 3.002 180.151 176.870 0.464 0.000 1.085 260 L CA 1.044 56.187 54.840 0.506 0.000 0.755 260 L CB -0.609 41.749 42.059 0.498 0.000 0.904 260 L HN 0.221 nan 8.230 nan 0.000 0.435 261 A N -0.366 122.648 122.820 0.323 0.000 1.968 261 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 261 A C 1.894 179.577 177.584 0.164 0.000 1.169 261 A CA 1.536 53.709 52.037 0.225 0.000 0.638 261 A CB -0.368 18.728 19.000 0.160 0.000 0.812 261 A HN 0.308 nan 8.150 nan 0.000 0.446 262 D N 0.051 120.530 120.400 0.132 0.000 2.097 262 D HA -0.095 4.545 4.640 -0.000 0.000 0.195 262 D C 2.114 178.409 176.300 -0.008 0.000 0.989 262 D CA 1.543 55.522 54.000 -0.035 0.000 0.827 262 D CB -0.753 40.066 40.800 0.032 0.000 0.966 262 D HN 0.409 nan 8.370 nan 0.000 0.456 263 G N 0.734 109.696 108.800 0.270 0.000 2.440 263 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.218 263 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.218 263 G C 1.865 177.107 174.900 0.570 0.000 1.154 263 G CA 0.941 46.312 45.100 0.452 0.000 0.767 263 G HN 0.250 nan 8.290 nan 0.000 0.552 264 V N 1.142 121.351 119.914 0.491 0.000 2.343 264 V HA -0.148 3.972 4.120 -0.000 0.000 0.247 264 V C 2.507 178.746 176.094 0.242 0.000 1.051 264 V CA 2.193 64.720 62.300 0.379 0.000 1.036 264 V CB -0.462 31.571 31.823 0.351 0.000 0.654 264 V HN 0.241 nan 8.190 nan 0.000 0.451 265 D N -1.102 119.356 120.400 0.096 0.000 2.178 265 D HA -0.134 4.506 4.640 -0.000 0.000 0.202 265 D C 2.027 178.335 176.300 0.014 0.000 0.974 265 D CA 1.295 55.283 54.000 -0.019 0.000 0.841 265 D CB -0.227 40.458 40.800 -0.191 0.000 0.953 265 D HN 0.609 nan 8.370 nan 0.000 0.478 266 Y N 0.076 120.517 120.300 0.235 0.000 2.263 266 Y HA 0.011 4.561 4.550 -0.000 0.000 0.292 266 Y C 2.292 178.438 175.900 0.410 0.000 1.130 266 Y CA 0.172 58.478 58.100 0.343 0.000 1.179 266 Y CB -0.001 38.695 38.460 0.394 0.000 0.998 266 Y HN -0.046 nan 8.280 nan 0.000 0.532 267 I N -0.089 120.723 120.570 0.404 0.000 2.252 267 I HA -0.287 3.883 4.170 -0.000 0.000 0.245 267 I C 2.300 178.528 176.117 0.185 0.000 1.102 267 I CA 1.300 62.737 61.300 0.229 0.000 1.385 267 I CB -0.364 37.430 38.000 -0.344 0.000 1.064 267 I HN 0.162 nan 8.210 nan 0.000 0.414 268 R N 0.797 121.395 120.500 0.163 0.000 2.081 268 R HA -0.145 4.195 4.340 -0.000 0.000 0.235 268 R C 2.443 178.839 176.300 0.160 0.000 1.131 268 R CA 1.537 57.751 56.100 0.189 0.000 0.960 268 R CB -0.467 29.949 30.300 0.193 0.000 0.856 268 R HN 0.371 nan 8.270 nan 0.000 0.436 269 A N 0.653 123.581 122.820 0.180 0.000 1.930 269 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 269 A C 2.365 180.018 177.584 0.114 0.000 1.175 269 A CA 1.653 53.773 52.037 0.139 0.000 0.627 269 A CB -0.962 18.134 19.000 0.158 0.000 0.815 269 A HN 0.464 nan 8.150 nan 0.000 0.443 270 G N -0.382 108.492 108.800 0.122 0.000 2.421 270 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.216 270 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.216 270 G C 1.411 176.178 174.900 -0.222 0.000 1.171 270 G CA 0.929 45.815 45.100 -0.356 0.000 0.775 270 G HN 0.639 nan 8.290 nan 0.000 0.543 271 E N 0.739 120.961 120.200 0.037 0.000 2.153 271 E HA -0.121 4.229 4.350 -0.000 0.000 0.194 271 E C 2.835 179.476 176.600 0.068 0.000 0.988 271 E CA 1.138 57.603 56.400 0.108 0.000 0.811 271 E CB -0.087 29.718 29.700 0.176 0.000 0.746 271 E HN 0.586 nan 8.360 nan 0.000 0.466 272 S N 0.624 116.356 115.700 0.054 0.000 2.447 272 S HA -0.092 4.378 4.470 -0.000 0.000 0.233 272 S C 1.973 176.580 174.600 0.013 0.000 1.006 272 S CA 0.997 59.219 58.200 0.036 0.000 0.957 272 S CB -0.225 62.993 63.200 0.031 0.000 0.773 272 S HN 0.205 nan 8.310 nan 0.000 0.507 273 V N -2.575 117.336 119.914 -0.004 0.000 3.444 273 V HA 0.710 4.830 4.120 -0.000 0.000 0.308 273 V C 1.335 177.427 176.094 -0.003 0.000 1.371 273 V CA -0.019 62.274 62.300 -0.012 0.000 1.141 273 V CB -0.903 30.905 31.823 -0.026 0.000 1.037 273 V HN 0.746 nan 8.190 nan 0.000 0.433 274 G N 0.603 109.410 108.800 0.011 0.000 2.141 274 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.231 274 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.231 274 G C -0.195 174.728 174.900 0.039 0.000 0.984 274 G CA 0.213 45.330 45.100 0.028 0.000 0.660 274 G HN 0.565 nan 8.290 nan 0.000 0.525 275 L N 0.796 122.034 121.223 0.025 0.000 2.375 275 L HA 0.422 4.761 4.340 -0.000 0.000 0.271 275 L C 0.925 177.907 176.870 0.186 0.000 1.107 275 L CA -0.985 53.903 54.840 0.080 0.000 0.806 275 L CB 0.998 43.054 42.059 -0.005 0.000 1.146 275 L HN 0.272 nan 8.230 nan 0.000 0.447 276 N N 1.072 119.885 118.700 0.188 0.000 2.513 276 N HA 0.012 4.752 4.740 -0.000 0.000 0.274 276 N C 0.862 176.498 175.510 0.210 0.000 1.189 276 N CA -0.141 53.008 53.050 0.166 0.000 0.975 276 N CB 1.849 40.400 38.487 0.106 0.000 1.157 276 N HN 0.486 nan 8.380 nan 0.000 0.465 277 V N 2.667 122.639 119.914 0.096 0.000 2.380 277 V HA -0.235 3.885 4.120 -0.000 0.000 0.251 277 V C 1.325 177.255 176.094 -0.274 0.000 1.063 277 V CA 2.092 64.286 62.300 -0.176 0.000 1.055 277 V CB -0.458 31.264 31.823 -0.169 0.000 0.657 277 V HN 0.679 nan 8.190 nan 0.000 0.455 278 D N -0.900 119.444 120.400 -0.093 0.000 2.310 278 D HA -0.160 4.480 4.640 -0.000 0.000 0.212 278 D C 2.132 178.420 176.300 -0.021 0.000 0.965 278 D CA 1.061 55.027 54.000 -0.058 0.000 0.879 278 D CB -0.087 40.714 40.800 0.002 0.000 0.921 278 D HN 0.622 nan 8.370 nan 0.000 0.510 279 Q N -0.925 118.908 119.800 0.055 0.000 2.389 279 Q HA -0.012 4.328 4.340 -0.000 0.000 0.204 279 Q C 1.301 177.414 176.000 0.187 0.000 0.944 279 Q CA 0.571 56.450 55.803 0.126 0.000 0.908 279 Q CB 0.221 29.066 28.738 0.178 0.000 1.002 279 Q HN 0.501 nan 8.270 nan 0.000 0.493 280 F N -4.989 114.915 119.950 -0.076 0.000 2.883 280 F HA 0.526 5.053 4.527 -0.000 0.000 0.351 280 F C 1.698 177.401 175.800 -0.162 0.000 0.970 280 F CA 0.085 57.996 58.000 -0.148 0.000 1.130 280 F CB -0.303 38.521 39.000 -0.293 0.000 1.015 280 F HN -0.148 nan 8.300 nan 0.000 0.585 281 A N 1.960 124.290 122.820 -0.817 0.000 1.908 281 A HA -0.002 4.318 4.320 -0.000 0.000 0.218 281 A C -0.318 177.170 177.584 -0.161 0.000 1.181 281 A CA 1.939 53.665 52.037 -0.517 0.000 0.627 281 A CB -2.092 16.625 19.000 -0.472 0.000 0.818 281 A HN 0.358 nan 8.150 nan 0.000 0.445 282 P HA -0.110 nan 4.420 nan 0.000 0.221 282 P C 1.029 178.338 177.300 0.014 0.000 1.145 282 P CA 0.936 64.034 63.100 -0.005 0.000 0.795 282 P CB 0.036 31.744 31.700 0.014 0.000 0.775 283 R N -1.162 119.340 120.500 0.004 0.000 2.468 283 R HA 0.275 4.615 4.340 -0.000 0.000 0.280 283 R C 0.364 176.662 176.300 -0.003 0.000 0.963 283 R CA -0.283 55.830 56.100 0.022 0.000 1.083 283 R CB -0.346 29.995 30.300 0.068 0.000 1.200 283 R HN 0.304 nan 8.270 nan 0.000 0.541 284 L N 1.271 122.478 121.223 -0.026 0.000 2.371 284 L HA 0.233 4.572 4.340 -0.000 0.000 0.272 284 L C 0.780 177.597 176.870 -0.089 0.000 1.124 284 L CA -0.150 54.649 54.840 -0.068 0.000 0.816 284 L CB 1.256 43.287 42.059 -0.047 0.000 1.129 284 L HN 0.030 nan 8.230 nan 0.000 0.448 285 S N 1.269 116.842 115.700 -0.211 0.000 2.661 285 S HA 0.774 5.244 4.470 -0.000 0.000 0.285 285 S C -0.967 173.403 174.600 -0.382 0.000 1.138 285 S CA -0.741 57.362 58.200 -0.161 0.000 0.855 285 S CB 1.859 64.988 63.200 -0.119 0.000 1.136 285 S HN 0.275 nan 8.310 nan 0.000 0.484 286 F N 0.347 120.133 119.950 -0.273 0.000 2.639 286 F HA 0.839 5.366 4.527 -0.000 0.000 0.339 286 F C -0.751 174.883 175.800 -0.276 0.000 1.071 286 F CA -1.015 56.740 58.000 -0.410 0.000 0.994 286 F CB 1.929 40.511 39.000 -0.696 0.000 1.341 286 F HN 0.661 nan 8.300 nan 0.000 0.498 287 F N 1.570 121.269 119.950 -0.420 0.000 2.787 287 F HA 0.409 4.936 4.527 -0.000 0.000 0.340 287 F C -2.141 173.487 175.800 -0.288 0.000 1.232 287 F CA -1.700 56.151 58.000 -0.249 0.000 1.051 287 F CB 0.561 39.514 39.000 -0.079 0.000 1.330 287 F HN 0.451 nan 8.300 nan 0.000 0.522 288 W N 3.996 125.424 121.300 0.213 0.000 2.578 288 W HA 0.721 5.381 4.660 -0.000 0.000 0.353 288 W C 0.478 176.987 176.519 -0.016 0.000 1.088 288 W CA -1.264 56.085 57.345 0.007 0.000 1.235 288 W CB 1.904 31.371 29.460 0.012 0.000 1.362 288 W HN 0.887 nan 8.180 nan 0.000 0.592 289 G N 1.650 110.614 108.800 0.273 0.000 2.412 289 G HA2 0.647 4.607 3.960 -0.000 0.000 0.318 289 G HA3 0.647 4.607 3.960 -0.000 0.000 0.318 289 G C -1.229 173.770 174.900 0.164 0.000 1.146 289 G CA -0.613 44.644 45.100 0.262 0.000 0.882 289 G HN 0.312 nan 8.290 nan 0.000 0.501 290 I N 2.109 122.773 120.570 0.158 0.000 2.521 290 I HA 0.313 4.483 4.170 -0.000 0.000 0.277 290 I C 0.880 177.048 176.117 0.084 0.000 1.054 290 I CA -0.671 60.671 61.300 0.071 0.000 1.117 290 I CB 0.563 38.589 38.000 0.042 0.000 1.217 290 I HN 0.577 nan 8.210 nan 0.000 0.469 291 G N 5.112 113.946 108.800 0.057 0.000 2.510 291 G HA2 0.392 4.352 3.960 -0.000 0.000 0.280 291 G HA3 0.392 4.352 3.960 -0.000 0.000 0.280 291 G C 0.832 175.791 174.900 0.099 0.000 1.386 291 G CA -0.448 44.713 45.100 0.100 0.000 1.047 291 G HN 0.390 nan 8.290 nan 0.000 0.527 292 M N 0.176 119.859 119.600 0.139 0.000 2.562 292 M HA 0.044 4.524 4.480 -0.000 0.000 0.257 292 M C 0.953 177.341 176.300 0.146 0.000 1.099 292 M CA 0.267 55.649 55.300 0.136 0.000 1.099 292 M CB -0.888 31.800 32.600 0.146 0.000 1.427 292 M HN 0.398 nan 8.290 nan 0.000 0.489 293 N N 1.298 120.082 118.700 0.140 0.000 2.605 293 N HA -0.014 4.726 4.740 -0.000 0.000 0.258 293 N C 0.580 176.143 175.510 0.088 0.000 1.156 293 N CA -0.126 53.032 53.050 0.180 0.000 1.008 293 N CB -0.026 38.572 38.487 0.185 0.000 1.354 293 N HN 0.089 nan 8.380 nan 0.000 0.509 294 F N 3.659 123.558 119.950 -0.084 0.000 2.032 294 F HA -0.302 4.225 4.527 -0.000 0.000 0.297 294 F C 1.262 176.805 175.800 -0.429 0.000 1.125 294 F CA 1.911 59.729 58.000 -0.304 0.000 1.202 294 F CB -0.377 38.323 39.000 -0.499 0.000 0.958 294 F HN 0.426 nan 8.300 nan 0.000 0.491 295 F N -0.530 119.406 119.950 -0.022 0.000 2.161 295 F HA -0.267 4.260 4.527 -0.000 0.000 0.300 295 F C 2.420 177.960 175.800 -0.435 0.000 1.089 295 F CA 1.508 59.299 58.000 -0.348 0.000 1.282 295 F CB -0.673 38.087 39.000 -0.401 0.000 1.010 295 F HN 0.126 nan 8.300 nan 0.000 0.485 296 M N 0.250 119.776 119.600 -0.125 0.000 2.132 296 M HA -0.150 4.330 4.480 -0.000 0.000 0.263 296 M C 2.054 178.209 176.300 -0.241 0.000 1.065 296 M CA 1.701 56.899 55.300 -0.170 0.000 1.122 296 M CB -0.343 32.203 32.600 -0.090 0.000 1.365 296 M HN -0.072 nan 8.290 nan 0.000 0.411 297 E N -0.605 119.433 120.200 -0.270 0.000 2.072 297 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 297 E C 2.198 178.572 176.600 -0.377 0.000 0.985 297 E CA 1.492 57.710 56.400 -0.304 0.000 0.801 297 E CB -0.757 28.787 29.700 -0.261 0.000 0.750 297 E HN 0.404 nan 8.360 nan 0.000 0.452 298 V N 1.906 121.516 119.914 -0.505 0.000 2.287 298 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 298 V C 2.509 178.408 176.094 -0.324 0.000 1.053 298 V CA 2.010 64.036 62.300 -0.457 0.000 1.027 298 V CB -0.907 30.537 31.823 -0.630 0.000 0.646 298 V HN 0.267 nan 8.190 nan 0.000 0.447 299 A N -0.452 122.186 122.820 -0.305 0.000 1.933 299 A HA -0.286 4.034 4.320 -0.000 0.000 0.218 299 A C 2.336 179.755 177.584 -0.276 0.000 1.175 299 A CA 2.246 54.134 52.037 -0.248 0.000 0.628 299 A CB -0.525 18.336 19.000 -0.231 0.000 0.814 299 A HN 0.554 nan 8.150 nan 0.000 0.444 300 K N -0.812 119.397 120.400 -0.319 0.000 2.032 300 K HA -0.159 4.161 4.320 -0.000 0.000 0.209 300 K C 1.750 178.055 176.600 -0.492 0.000 1.048 300 K CA 1.583 57.629 56.287 -0.402 0.000 0.927 300 K CB -0.286 31.948 32.500 -0.444 0.000 0.712 300 K HN 0.303 nan 8.250 nan 0.000 0.441 301 L N 1.195 122.151 121.223 -0.444 0.000 2.083 301 L HA -0.114 4.226 4.340 -0.000 0.000 0.209 301 L C 2.387 179.108 176.870 -0.249 0.000 1.083 301 L CA 1.582 56.200 54.840 -0.370 0.000 0.752 301 L CB -0.391 41.541 42.059 -0.211 0.000 0.899 301 L HN 0.148 nan 8.230 nan 0.000 0.433 302 R N -1.077 119.279 120.500 -0.240 0.000 2.073 302 R HA -0.028 4.311 4.340 -0.000 0.000 0.229 302 R C 2.311 178.438 176.300 -0.289 0.000 1.120 302 R CA 1.151 57.112 56.100 -0.231 0.000 0.967 302 R CB -0.615 29.549 30.300 -0.226 0.000 0.862 302 R HN 0.342 nan 8.270 nan 0.000 0.436 303 A N 1.541 124.176 122.820 -0.309 0.000 1.902 303 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 303 A C 2.408 179.863 177.584 -0.215 0.000 1.181 303 A CA 1.679 53.536 52.037 -0.300 0.000 0.623 303 A CB -0.711 18.139 19.000 -0.250 0.000 0.818 303 A HN 0.385 nan 8.150 nan 0.000 0.443 304 A N -0.117 122.560 122.820 -0.238 0.000 1.908 304 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 304 A C 2.239 179.806 177.584 -0.030 0.000 1.181 304 A CA 1.610 53.559 52.037 -0.146 0.000 0.627 304 A CB -0.498 18.319 19.000 -0.305 0.000 0.818 304 A HN 0.570 nan 8.150 nan 0.000 0.445 305 R N -0.971 119.499 120.500 -0.049 0.000 2.081 305 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 305 R C 2.276 178.616 176.300 0.066 0.000 1.131 305 R CA 1.750 57.865 56.100 0.026 0.000 0.960 305 R CB -0.428 29.877 30.300 0.009 0.000 0.856 305 R HN 0.570 nan 8.270 nan 0.000 0.436 306 M N 0.481 120.052 119.600 -0.048 0.000 2.132 306 M HA -0.138 4.342 4.480 -0.000 0.000 0.263 306 M C 2.273 178.571 176.300 -0.002 0.000 1.065 306 M CA 1.608 56.866 55.300 -0.070 0.000 1.122 306 M CB -0.336 32.121 32.600 -0.238 0.000 1.365 306 M HN 0.139 nan 8.290 nan 0.000 0.411 307 L N -1.172 120.075 121.223 0.040 0.000 2.093 307 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 307 L C 2.470 179.523 176.870 0.304 0.000 1.085 307 L CA 1.278 56.218 54.840 0.167 0.000 0.755 307 L CB -0.784 41.435 42.059 0.267 0.000 0.904 307 L HN 0.580 nan 8.230 nan 0.000 0.435 308 W N 1.260 122.605 121.300 0.075 0.000 2.381 308 W HA -0.222 4.438 4.660 -0.000 0.000 0.301 308 W C 2.449 179.050 176.519 0.136 0.000 1.205 308 W CA 1.281 58.684 57.345 0.097 0.000 1.285 308 W CB 0.102 29.527 29.460 -0.059 0.000 1.133 308 W HN 0.174 nan 8.180 nan 0.000 0.521 309 A N 0.879 123.773 122.820 0.124 0.000 1.883 309 A HA -0.285 4.035 4.320 -0.000 0.000 0.217 309 A C 1.994 179.579 177.584 0.001 0.000 1.186 309 A CA 2.178 54.243 52.037 0.047 0.000 0.624 309 A CB -1.072 18.031 19.000 0.171 0.000 0.822 309 A HN 0.368 nan 8.150 nan 0.000 0.444 310 K N -0.375 120.042 120.400 0.028 0.000 2.032 310 K HA -0.108 4.212 4.320 -0.000 0.000 0.209 310 K C 1.944 178.629 176.600 0.142 0.000 1.048 310 K CA 1.545 57.864 56.287 0.052 0.000 0.927 310 K CB -0.349 32.105 32.500 -0.076 0.000 0.712 310 K HN 0.463 nan 8.250 nan 0.000 0.441 311 L N 0.549 121.876 121.223 0.173 0.000 2.012 311 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 311 L C 2.390 179.287 176.870 0.047 0.000 1.073 311 L CA 1.047 55.988 54.840 0.168 0.000 0.748 311 L CB -0.367 41.813 42.059 0.202 0.000 0.891 311 L HN 0.060 nan 8.230 nan 0.000 0.431 312 V N -1.241 118.540 119.914 -0.222 0.000 2.427 312 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 312 V C 2.417 178.583 176.094 0.119 0.000 1.051 312 V CA 1.676 63.879 62.300 -0.161 0.000 1.048 312 V CB -0.808 30.735 31.823 -0.468 0.000 0.666 312 V HN 0.459 nan 8.190 nan 0.000 0.456 313 H N 1.164 120.222 119.070 -0.019 0.000 2.426 313 H HA -0.202 4.354 4.556 -0.000 0.000 0.298 313 H C 2.310 177.641 175.328 0.006 0.000 1.107 313 H CA 1.960 58.011 56.048 0.005 0.000 1.298 313 H CB -0.179 29.578 29.762 -0.008 0.000 1.377 313 H HN 0.545 nan 8.280 nan 0.000 0.519 314 Q N -1.302 118.458 119.800 -0.067 0.000 2.364 314 Q HA -0.103 4.237 4.340 -0.000 0.000 0.209 314 Q C 1.071 176.867 176.000 -0.340 0.000 0.977 314 Q CA 0.963 56.627 55.803 -0.231 0.000 0.885 314 Q CB 0.016 28.599 28.738 -0.258 0.000 0.941 314 Q HN 0.488 nan 8.270 nan 0.000 0.464 315 F N -0.243 119.670 119.950 -0.061 0.000 2.765 315 F HA 0.242 4.769 4.527 -0.000 0.000 0.302 315 F C 1.237 177.010 175.800 -0.046 0.000 1.111 315 F CA 0.187 58.163 58.000 -0.040 0.000 1.359 315 F CB 0.455 39.434 39.000 -0.035 0.000 1.097 315 F HN 0.023 nan 8.300 nan 0.000 0.577 316 G N 2.450 111.277 108.800 0.045 0.000 2.367 316 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.295 316 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.295 316 G C -2.407 172.531 174.900 0.064 0.000 1.019 316 G CA -0.650 44.459 45.100 0.015 0.000 1.224 316 G HN 0.174 nan 8.290 nan 0.000 0.510 317 P HA 0.340 nan 4.420 nan 0.000 0.279 317 P C 0.493 177.835 177.300 0.071 0.000 1.239 317 P CA -0.422 62.718 63.100 0.068 0.000 0.789 317 P CB 1.458 33.194 31.700 0.060 0.000 0.933 318 K N 0.674 121.106 120.400 0.053 0.000 2.308 318 K HA 0.086 4.406 4.320 -0.000 0.000 0.197 318 K C 0.633 177.265 176.600 0.053 0.000 1.049 318 K CA 0.473 56.790 56.287 0.051 0.000 0.991 318 K CB -0.164 32.361 32.500 0.041 0.000 0.836 318 K HN 0.400 nan 8.250 nan 0.000 0.500 319 N N 2.401 121.131 118.700 0.050 0.000 2.422 319 N HA 0.098 4.838 4.740 -0.000 0.000 0.266 319 N C -1.994 173.563 175.510 0.079 0.000 1.007 319 N CA -1.988 51.096 53.050 0.056 0.000 0.941 319 N CB 1.620 40.132 38.487 0.042 0.000 1.115 319 N HN -0.182 nan 8.380 nan 0.000 0.492 320 P HA -0.117 nan 4.420 nan 0.000 0.220 320 P C 0.610 178.061 177.300 0.251 0.000 1.148 320 P CA 1.280 64.484 63.100 0.174 0.000 0.803 320 P CB 0.464 32.262 31.700 0.163 0.000 0.782 321 K N -0.226 120.275 120.400 0.167 0.000 2.209 321 K HA -0.037 4.283 4.320 -0.000 0.000 0.204 321 K C 2.242 178.873 176.600 0.053 0.000 1.048 321 K CA 1.131 57.479 56.287 0.102 0.000 0.940 321 K CB -0.387 32.167 32.500 0.090 0.000 0.729 321 K HN 0.083 nan 8.250 nan 0.000 0.451 322 S N 1.175 116.902 115.700 0.044 0.000 2.400 322 S HA -0.096 4.374 4.470 -0.000 0.000 0.232 322 S C 1.678 176.287 174.600 0.016 0.000 1.025 322 S CA 1.280 59.479 58.200 -0.002 0.000 0.993 322 S CB -0.062 63.111 63.200 -0.045 0.000 0.808 322 S HN 0.306 nan 8.310 nan 0.000 0.478 323 M N 1.478 121.113 119.600 0.058 0.000 2.561 323 M HA 0.098 4.577 4.480 -0.000 0.000 0.238 323 M C 0.470 176.811 176.300 0.068 0.000 1.131 323 M CA -0.061 55.269 55.300 0.049 0.000 1.046 323 M CB -0.024 32.695 32.600 0.198 0.000 1.532 323 M HN 0.174 nan 8.290 nan 0.000 0.497 324 S N 1.205 116.796 115.700 -0.182 0.000 2.513 324 S HA 0.467 4.937 4.470 -0.000 0.000 0.276 324 S C -0.529 174.020 174.600 -0.086 0.000 1.254 324 S CA -0.868 56.939 58.200 -0.656 0.000 1.053 324 S CB 1.331 63.946 63.200 -0.976 0.000 0.958 324 S HN 0.408 nan 8.310 nan 0.000 0.491 325 L N 4.332 125.504 121.223 -0.085 0.000 2.260 325 L HA 0.491 4.831 4.340 -0.000 0.000 0.289 325 L C -0.209 176.592 176.870 -0.115 0.000 1.057 325 L CA -0.606 54.179 54.840 -0.091 0.000 0.811 325 L CB 0.423 42.335 42.059 -0.245 0.000 1.184 325 L HN 0.764 nan 8.230 nan 0.000 0.429 326 R N 3.448 123.934 120.500 -0.023 0.000 2.295 326 R HA 0.479 4.819 4.340 -0.000 0.000 0.324 326 R C -0.688 175.647 176.300 0.057 0.000 0.968 326 R CA -0.466 55.625 56.100 -0.014 0.000 0.837 326 R CB 1.959 32.269 30.300 0.017 0.000 1.133 326 R HN 0.482 nan 8.270 nan 0.000 0.450 327 T N 0.886 115.485 114.554 0.075 0.000 2.906 327 T HA 0.250 4.599 4.350 -0.000 0.000 0.295 327 T C -1.492 173.297 174.700 0.149 0.000 1.061 327 T CA -0.691 61.467 62.100 0.097 0.000 1.000 327 T CB 1.095 70.019 68.868 0.093 0.000 1.103 327 T HN 0.641 nan 8.240 nan 0.000 0.486 328 H N 0.946 120.033 119.070 0.028 0.000 2.502 328 H HA 0.800 5.356 4.556 -0.000 0.000 0.338 328 H C -0.698 174.729 175.328 0.165 0.000 1.155 328 H CA -0.066 55.986 56.048 0.006 0.000 1.237 328 H CB 1.249 30.875 29.762 -0.227 0.000 1.534 328 H HN 0.481 nan 8.280 nan 0.000 0.523 329 S N 2.179 117.616 115.700 -0.438 0.000 2.569 329 S HA 0.328 4.798 4.470 -0.000 0.000 0.280 329 S C -1.446 172.983 174.600 -0.285 0.000 1.111 329 S CA -0.866 57.271 58.200 -0.105 0.000 0.887 329 S CB 1.925 65.111 63.200 -0.024 0.000 1.095 329 S HN 0.705 nan 8.310 nan 0.000 0.476 330 Q N 1.335 121.185 119.800 0.083 0.000 2.331 330 Q HA 0.502 4.842 4.340 -0.000 0.000 0.272 330 Q C -0.788 175.340 176.000 0.214 0.000 1.062 330 Q CA -0.728 55.126 55.803 0.085 0.000 0.806 330 Q CB 1.559 30.251 28.738 -0.076 0.000 1.312 330 Q HN 0.772 nan 8.270 nan 0.000 0.431 331 T N 0.485 115.156 114.554 0.196 0.000 2.926 331 T HA 0.135 4.485 4.350 -0.000 0.000 0.307 331 T C 0.434 175.323 174.700 0.315 0.000 1.059 331 T CA -0.468 61.751 62.100 0.197 0.000 1.122 331 T CB 1.293 70.237 68.868 0.127 0.000 0.972 331 T HN 0.473 nan 8.240 nan 0.000 0.545 332 S N 1.896 117.761 115.700 0.275 0.000 2.506 332 S HA 0.289 4.759 4.470 -0.000 0.000 0.291 332 S C 1.681 176.446 174.600 0.275 0.000 1.230 332 S CA -0.205 58.169 58.200 0.290 0.000 1.107 332 S CB -0.512 62.824 63.200 0.227 0.000 0.942 332 S HN 0.934 nan 8.310 nan 0.000 0.502 333 G N 4.581 113.580 108.800 0.332 0.000 2.402 333 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.216 333 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.216 333 G C 1.050 176.069 174.900 0.198 0.000 1.162 333 G CA 0.601 45.859 45.100 0.263 0.000 0.777 333 G HN 0.888 nan 8.290 nan 0.000 0.539 334 W N 2.566 123.905 121.300 0.064 0.000 2.325 334 W HA -0.244 4.415 4.660 -0.000 0.000 0.299 334 W C 2.885 179.426 176.519 0.036 0.000 1.215 334 W CA 2.723 60.088 57.345 0.033 0.000 1.244 334 W CB -0.170 29.287 29.460 -0.006 0.000 1.140 334 W HN 0.278 nan 8.180 nan 0.000 0.523 335 S N 0.041 115.725 115.700 -0.027 0.000 2.474 335 S HA -0.059 4.411 4.470 -0.000 0.000 0.235 335 S C 0.818 175.290 174.600 -0.215 0.000 0.997 335 S CA 0.529 58.603 58.200 -0.211 0.000 0.949 335 S CB -0.800 62.453 63.200 0.089 0.000 0.766 335 S HN 0.176 nan 8.310 nan 0.000 0.517 336 L N 2.819 123.963 121.223 -0.131 0.000 2.326 336 L HA 0.397 4.737 4.340 -0.000 0.000 0.278 336 L C 0.728 177.513 176.870 -0.141 0.000 1.092 336 L CA -0.556 54.228 54.840 -0.093 0.000 0.810 336 L CB 1.094 43.140 42.059 -0.021 0.000 1.153 336 L HN 0.280 nan 8.230 nan 0.000 0.439 337 T N -1.205 113.282 114.554 -0.111 0.000 2.936 337 T HA 0.545 4.895 4.350 -0.000 0.000 0.282 337 T C 0.667 175.332 174.700 -0.059 0.000 1.003 337 T CA -0.260 61.779 62.100 -0.103 0.000 1.005 337 T CB 2.016 70.835 68.868 -0.083 0.000 1.097 337 T HN 0.600 nan 8.240 nan 0.000 0.532 338 A N 0.141 122.935 122.820 -0.042 0.000 2.238 338 A HA 0.306 4.626 4.320 -0.000 0.000 0.210 338 A C 0.676 178.258 177.584 -0.004 0.000 1.179 338 A CA 0.092 52.117 52.037 -0.019 0.000 0.827 338 A CB -0.311 18.687 19.000 -0.003 0.000 0.856 338 A HN 0.738 nan 8.150 nan 0.000 0.488 339 Q N -0.195 119.605 119.800 -0.000 0.000 2.274 339 Q HA 0.454 4.794 4.340 -0.000 0.000 0.260 339 Q C -0.697 175.318 176.000 0.025 0.000 0.974 339 Q CA -0.432 55.382 55.803 0.018 0.000 0.876 339 Q CB 1.269 30.020 28.738 0.021 0.000 1.297 339 Q HN 0.257 nan 8.270 nan 0.000 0.446 340 D N 0.939 121.368 120.400 0.049 0.000 2.803 340 D HA -0.151 4.489 4.640 -0.000 0.000 0.233 340 D C 0.542 176.886 176.300 0.073 0.000 1.182 340 D CA 0.824 54.870 54.000 0.078 0.000 0.726 340 D CB -0.396 40.449 40.800 0.075 0.000 0.987 340 D HN 0.487 nan 8.370 nan 0.000 0.412 341 V N -0.582 119.364 119.914 0.053 0.000 2.720 341 V HA -0.233 3.887 4.120 -0.000 0.000 0.256 341 V C 1.962 177.984 176.094 -0.120 0.000 1.082 341 V CA 1.385 63.657 62.300 -0.048 0.000 1.101 341 V CB -0.959 30.794 31.823 -0.117 0.000 0.693 341 V HN 0.402 nan 8.190 nan 0.000 0.479 342 Y N 1.592 121.913 120.300 0.035 0.000 2.509 342 Y HA 0.061 4.611 4.550 -0.000 0.000 0.293 342 Y C 2.459 178.373 175.900 0.023 0.000 1.133 342 Y CA 1.173 59.295 58.100 0.037 0.000 1.283 342 Y CB -0.651 37.836 38.460 0.045 0.000 1.001 342 Y HN 0.324 nan 8.280 nan 0.000 0.555 343 N N 0.171 118.938 118.700 0.112 0.000 2.289 343 N HA -0.154 4.586 4.740 -0.000 0.000 0.184 343 N C 1.195 176.722 175.510 0.028 0.000 1.016 343 N CA 0.865 53.955 53.050 0.067 0.000 0.872 343 N CB -0.361 38.158 38.487 0.054 0.000 0.973 343 N HN 0.415 nan 8.380 nan 0.000 0.433 344 N N 0.690 119.386 118.700 -0.008 0.000 2.223 344 N HA -0.074 4.666 4.740 -0.000 0.000 0.185 344 N C 1.812 177.312 175.510 -0.018 0.000 1.016 344 N CA 0.450 53.485 53.050 -0.025 0.000 0.863 344 N CB -0.389 38.064 38.487 -0.056 0.000 0.983 344 N HN 0.068 nan 8.380 nan 0.000 0.429 345 V N 0.772 120.674 119.914 -0.020 0.000 2.287 345 V HA -0.183 3.937 4.120 -0.000 0.000 0.248 345 V C 2.429 178.531 176.094 0.013 0.000 1.053 345 V CA 1.281 63.576 62.300 -0.008 0.000 1.027 345 V CB -0.593 31.242 31.823 0.020 0.000 0.646 345 V HN 0.070 nan 8.190 nan 0.000 0.447 346 V N -0.207 119.723 119.914 0.027 0.000 2.358 346 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 346 V C 2.587 178.704 176.094 0.038 0.000 1.047 346 V CA 1.958 64.277 62.300 0.031 0.000 1.035 346 V CB -0.801 31.043 31.823 0.035 0.000 0.658 346 V HN 0.459 nan 8.190 nan 0.000 0.452 347 R N -0.088 120.432 120.500 0.034 0.000 2.083 347 R HA -0.154 4.186 4.340 -0.000 0.000 0.237 347 R C 2.435 178.766 176.300 0.052 0.000 1.137 347 R CA 2.036 58.161 56.100 0.042 0.000 0.951 347 R CB -0.864 29.453 30.300 0.028 0.000 0.851 347 R HN 0.473 nan 8.270 nan 0.000 0.434 348 T N 0.349 114.928 114.554 0.042 0.000 2.746 348 T HA -0.207 4.143 4.350 -0.000 0.000 0.267 348 T C 2.006 176.739 174.700 0.055 0.000 1.039 348 T CA 1.322 63.450 62.100 0.046 0.000 1.142 348 T CB -0.429 68.454 68.868 0.025 0.000 0.866 348 T HN 0.407 nan 8.240 nan 0.000 0.444 349 C N 1.473 120.807 119.300 0.058 0.000 2.432 349 C HA -0.043 4.417 4.460 -0.000 0.000 0.277 349 C C 2.507 177.560 174.990 0.105 0.000 1.249 349 C CA 0.275 59.344 59.018 0.085 0.000 1.725 349 C CB -1.400 26.386 27.740 0.077 0.000 2.028 349 C HN 0.439 nan 8.230 nan 0.000 0.477 350 I N 0.988 121.616 120.570 0.096 0.000 2.315 350 I HA -0.108 4.062 4.170 -0.000 0.000 0.248 350 I C 2.425 178.648 176.117 0.177 0.000 1.117 350 I CA 1.556 62.933 61.300 0.128 0.000 1.404 350 I CB -1.735 36.318 38.000 0.089 0.000 1.071 350 I HN 0.527 nan 8.210 nan 0.000 0.419 351 E N 1.176 121.445 120.200 0.115 0.000 2.106 351 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 351 E C 2.375 178.997 176.600 0.036 0.000 0.984 351 E CA 1.242 57.689 56.400 0.080 0.000 0.806 351 E CB -0.132 29.615 29.700 0.078 0.000 0.750 351 E HN 0.474 nan 8.360 nan 0.000 0.458 352 A N 1.028 123.867 122.820 0.032 0.000 1.902 352 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 352 A C 2.149 179.700 177.584 -0.056 0.000 1.181 352 A CA 1.401 53.418 52.037 -0.033 0.000 0.623 352 A CB -0.441 18.562 19.000 0.006 0.000 0.818 352 A HN 0.135 nan 8.150 nan 0.000 0.443 353 M N -0.558 119.088 119.600 0.077 0.000 2.117 353 M HA -0.126 4.354 4.480 -0.000 0.000 0.262 353 M C 2.494 178.892 176.300 0.164 0.000 1.065 353 M CA 1.481 56.888 55.300 0.178 0.000 1.114 353 M CB -0.343 32.450 32.600 0.321 0.000 1.361 353 M HN 0.467 nan 8.290 nan 0.000 0.408 354 A N 0.214 123.048 122.820 0.024 0.000 1.898 354 A HA -0.003 4.317 4.320 -0.000 0.000 0.216 354 A C 2.361 179.787 177.584 -0.265 0.000 1.181 354 A CA 1.741 53.509 52.037 -0.448 0.000 0.620 354 A CB -0.937 17.705 19.000 -0.597 0.000 0.819 354 A HN 0.478 nan 8.150 nan 0.000 0.442 355 A N -0.113 122.611 122.820 -0.161 0.000 1.877 355 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 355 A C 2.453 179.967 177.584 -0.117 0.000 1.186 355 A CA 2.648 54.604 52.037 -0.135 0.000 0.620 355 A CB -1.375 17.537 19.000 -0.148 0.000 0.822 355 A HN 0.751 nan 8.150 nan 0.000 0.443 356 T N -2.709 111.731 114.554 -0.190 0.000 2.942 356 T HA -0.082 4.268 4.350 -0.000 0.000 0.265 356 T C 1.766 176.621 174.700 0.258 0.000 1.062 356 T CA 1.356 63.398 62.100 -0.096 0.000 1.139 356 T CB -0.301 68.196 68.868 -0.619 0.000 0.883 356 T HN 0.566 nan 8.240 nan 0.000 0.468 357 Q N 0.649 120.545 119.800 0.161 0.000 2.378 357 Q HA 0.206 4.546 4.340 -0.000 0.000 0.205 357 Q C 2.382 178.417 176.000 0.059 0.000 0.954 357 Q CA 0.757 56.697 55.803 0.228 0.000 0.901 357 Q CB -0.117 28.875 28.738 0.423 0.000 0.981 357 Q HN 0.715 nan 8.270 nan 0.000 0.483 358 G N -1.283 107.497 108.800 -0.033 0.000 2.838 358 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.210 358 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.210 358 G C -0.352 174.564 174.900 0.027 0.000 1.153 358 G CA -0.173 44.870 45.100 -0.096 0.000 0.778 358 G HN 0.529 nan 8.290 nan 0.000 0.539 359 H N -0.053 119.014 119.070 -0.005 0.000 3.012 359 H HA -0.150 4.406 4.556 -0.000 0.000 0.346 359 H C 0.385 175.761 175.328 0.079 0.000 1.292 359 H CA 0.093 56.129 56.048 -0.021 0.000 1.211 359 H CB -1.555 28.119 29.762 -0.148 0.000 1.537 359 H HN 0.333 nan 8.280 nan 0.000 0.446 360 T N -0.357 114.346 114.554 0.248 0.000 2.813 360 T HA 0.103 4.453 4.350 -0.000 0.000 0.297 360 T C 1.354 176.237 174.700 0.305 0.000 1.036 360 T CA 0.023 62.244 62.100 0.202 0.000 1.044 360 T CB 1.262 70.183 68.868 0.088 0.000 0.993 360 T HN 0.427 nan 8.240 nan 0.000 0.535 361 Q N 0.782 120.740 119.800 0.264 0.000 2.373 361 Q HA 0.274 4.614 4.340 -0.000 0.000 0.210 361 Q C 0.351 176.554 176.000 0.339 0.000 0.913 361 Q CA 0.247 56.245 55.803 0.326 0.000 0.911 361 Q CB 0.570 29.458 28.738 0.249 0.000 1.040 361 Q HN 0.727 nan 8.270 nan 0.000 0.521 362 S N -1.127 114.751 115.700 0.296 0.000 2.579 362 S HA 0.761 5.231 4.470 -0.000 0.000 0.272 362 S C -1.483 173.246 174.600 0.214 0.000 1.141 362 S CA -1.003 57.403 58.200 0.343 0.000 0.843 362 S CB 1.751 65.153 63.200 0.337 0.000 1.122 362 S HN 0.056 nan 8.310 nan 0.000 0.468 363 L N 1.065 122.431 121.223 0.238 0.000 2.505 363 L HA 0.688 5.028 4.340 -0.000 0.000 0.259 363 L C -1.671 175.307 176.870 0.180 0.000 0.952 363 L CA -0.204 54.639 54.840 0.004 0.000 0.840 363 L CB 2.135 44.157 42.059 -0.062 0.000 1.358 363 L HN 1.120 nan 8.230 nan 0.000 0.409 364 H N 1.224 120.283 119.070 -0.018 0.000 2.489 364 H HA 0.787 5.343 4.556 -0.000 0.000 0.343 364 H C -1.133 174.231 175.328 0.061 0.000 1.086 364 H CA 0.085 56.188 56.048 0.090 0.000 1.198 364 H CB 1.539 31.378 29.762 0.129 0.000 1.490 364 H HN 0.714 nan 8.280 nan 0.000 0.504 365 T N 3.095 117.393 114.554 -0.427 0.000 2.779 365 T HA 0.376 4.726 4.350 -0.000 0.000 0.280 365 T C 0.097 174.575 174.700 -0.371 0.000 0.987 365 T CA -1.225 60.728 62.100 -0.244 0.000 0.966 365 T CB 0.800 69.609 68.868 -0.099 0.000 0.933 365 T HN 0.534 nan 8.240 nan 0.000 0.442 366 N N 1.863 120.524 118.700 -0.066 0.000 2.354 366 N HA 0.310 5.050 4.740 -0.000 0.000 0.246 366 N C 0.097 175.612 175.510 0.008 0.000 1.285 366 N CA -0.308 52.779 53.050 0.061 0.000 0.925 366 N CB 0.806 39.395 38.487 0.169 0.000 1.174 366 N HN 0.607 nan 8.380 nan 0.000 0.478 367 S N 0.238 115.963 115.700 0.042 0.000 2.687 367 S HA 0.213 4.683 4.470 -0.000 0.000 0.283 367 S C 1.673 176.255 174.600 -0.030 0.000 1.170 367 S CA -0.730 57.465 58.200 -0.009 0.000 1.008 367 S CB 0.962 64.170 63.200 0.014 0.000 1.026 367 S HN 0.518 nan 8.310 nan 0.000 0.541 368 L N 0.437 121.604 121.223 -0.094 0.000 2.187 368 L HA -0.028 4.312 4.340 -0.000 0.000 0.213 368 L C 1.073 177.877 176.870 -0.111 0.000 1.100 368 L CA 1.544 56.298 54.840 -0.144 0.000 0.765 368 L CB -0.962 40.919 42.059 -0.297 0.000 0.904 368 L HN 0.554 nan 8.230 nan 0.000 0.437 369 D N -0.868 119.492 120.400 -0.067 0.000 2.336 369 D HA -0.060 4.580 4.640 -0.000 0.000 0.228 369 D C 1.670 177.968 176.300 -0.005 0.000 1.120 369 D CA 0.401 54.379 54.000 -0.037 0.000 0.839 369 D CB -0.058 40.728 40.800 -0.024 0.000 0.932 369 D HN 0.574 nan 8.370 nan 0.000 0.509 370 E N 1.621 121.830 120.200 0.015 0.000 2.114 370 E HA -0.229 4.121 4.350 -0.000 0.000 0.199 370 E C 1.735 178.360 176.600 0.042 0.000 1.008 370 E CA 1.916 58.348 56.400 0.053 0.000 0.810 370 E CB -0.469 29.273 29.700 0.070 0.000 0.739 370 E HN 0.291 nan 8.360 nan 0.000 0.456 371 A N -0.548 122.278 122.820 0.010 0.000 2.238 371 A HA 0.183 4.503 4.320 -0.000 0.000 0.208 371 A C 1.808 179.392 177.584 -0.001 0.000 1.177 371 A CA 0.568 52.605 52.037 -0.001 0.000 0.804 371 A CB -0.208 18.776 19.000 -0.026 0.000 0.823 371 A HN 0.373 nan 8.150 nan 0.000 0.482 372 I N -2.539 118.032 120.570 0.001 0.000 3.570 372 I HA 0.429 4.599 4.170 -0.000 0.000 0.270 372 I C 0.982 177.103 176.117 0.006 0.000 1.162 372 I CA 0.747 62.046 61.300 -0.002 0.000 1.413 372 I CB 0.196 38.187 38.000 -0.016 0.000 1.437 372 I HN 0.260 nan 8.210 nan 0.000 0.457 373 A N 0.515 123.339 122.820 0.007 0.000 2.493 373 A HA 0.614 4.934 4.320 -0.000 0.000 0.300 373 A C -1.274 176.311 177.584 0.001 0.000 1.152 373 A CA -0.612 51.428 52.037 0.005 0.000 0.643 373 A CB 0.533 19.522 19.000 -0.019 0.000 1.316 373 A HN 0.052 nan 8.150 nan 0.000 0.469 374 L N 1.198 122.405 121.223 -0.028 0.000 2.467 374 L HA 0.303 4.643 4.340 -0.000 0.000 0.270 374 L C -1.982 174.836 176.870 -0.086 0.000 1.205 374 L CA -1.501 53.311 54.840 -0.046 0.000 0.828 374 L CB 0.136 42.135 42.059 -0.099 0.000 1.101 374 L HN 0.423 nan 8.230 nan 0.000 0.479 375 P HA 0.040 nan 4.420 nan 0.000 0.267 375 P C -0.398 176.834 177.300 -0.114 0.000 1.200 375 P CA -0.208 62.880 63.100 -0.020 0.000 0.772 375 P CB 0.416 32.174 31.700 0.097 0.000 0.855 376 T N -1.660 112.871 114.554 -0.038 0.000 2.884 376 T HA 0.229 4.579 4.350 -0.000 0.000 0.277 376 T C 0.895 175.638 174.700 0.071 0.000 0.976 376 T CA -0.509 61.565 62.100 -0.043 0.000 0.956 376 T CB 0.505 69.397 68.868 0.040 0.000 1.113 376 T HN 0.197 nan 8.240 nan 0.000 0.554 377 D N -0.406 120.070 120.400 0.127 0.000 2.117 377 D HA -0.058 4.582 4.640 -0.000 0.000 0.197 377 D C 1.522 177.943 176.300 0.202 0.000 0.987 377 D CA 1.055 55.193 54.000 0.230 0.000 0.829 377 D CB -0.343 40.580 40.800 0.204 0.000 0.961 377 D HN 0.528 nan 8.370 nan 0.000 0.460 378 F N 1.982 121.974 119.950 0.070 0.000 2.113 378 F HA -0.209 4.318 4.527 -0.000 0.000 0.297 378 F C 2.518 178.352 175.800 0.056 0.000 1.103 378 F CA 1.974 60.011 58.000 0.060 0.000 1.248 378 F CB -0.406 38.625 39.000 0.052 0.000 0.999 378 F HN -0.045 nan 8.300 nan 0.000 0.475 379 S N 0.608 116.261 115.700 -0.078 0.000 2.387 379 S HA -0.042 4.428 4.470 -0.000 0.000 0.226 379 S C 2.253 176.773 174.600 -0.133 0.000 1.026 379 S CA 0.669 58.749 58.200 -0.200 0.000 0.972 379 S CB -1.161 62.015 63.200 -0.041 0.000 0.814 379 S HN 0.444 nan 8.310 nan 0.000 0.477 380 A N 2.505 125.327 122.820 0.003 0.000 1.933 380 A HA -0.025 4.295 4.320 -0.000 0.000 0.218 380 A C 2.331 179.906 177.584 -0.014 0.000 1.175 380 A CA 1.476 53.555 52.037 0.069 0.000 0.628 380 A CB -0.759 18.399 19.000 0.262 0.000 0.814 380 A HN 0.626 nan 8.150 nan 0.000 0.444 381 R N -0.158 120.309 120.500 -0.055 0.000 2.092 381 R HA -0.048 4.292 4.340 -0.000 0.000 0.231 381 R C 1.871 178.093 176.300 -0.130 0.000 1.119 381 R CA 1.582 57.637 56.100 -0.075 0.000 0.970 381 R CB -0.391 29.883 30.300 -0.043 0.000 0.864 381 R HN 0.525 nan 8.270 nan 0.000 0.440 382 I N 1.023 121.445 120.570 -0.248 0.000 2.179 382 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 382 I C 2.635 178.684 176.117 -0.114 0.000 1.088 382 I CA 1.323 62.495 61.300 -0.214 0.000 1.357 382 I CB -0.534 37.279 38.000 -0.311 0.000 1.051 382 I HN 0.331 nan 8.210 nan 0.000 0.409 383 A N 0.874 123.632 122.820 -0.104 0.000 1.873 383 A HA -0.295 4.025 4.320 -0.000 0.000 0.218 383 A C 2.449 180.008 177.584 -0.041 0.000 1.193 383 A CA 2.226 54.221 52.037 -0.071 0.000 0.629 383 A CB -0.765 18.188 19.000 -0.079 0.000 0.826 383 A HN 0.384 nan 8.150 nan 0.000 0.447 384 R N -0.246 120.234 120.500 -0.033 0.000 2.092 384 R HA -0.103 4.237 4.340 -0.000 0.000 0.231 384 R C 1.909 178.223 176.300 0.023 0.000 1.119 384 R CA 1.664 57.760 56.100 -0.006 0.000 0.970 384 R CB -0.432 29.856 30.300 -0.019 0.000 0.864 384 R HN 0.734 nan 8.270 nan 0.000 0.440 385 N N -0.907 117.801 118.700 0.013 0.000 2.223 385 N HA -0.115 4.625 4.740 -0.000 0.000 0.185 385 N C 1.237 176.809 175.510 0.104 0.000 1.016 385 N CA 1.554 54.630 53.050 0.044 0.000 0.863 385 N CB 0.034 38.527 38.487 0.011 0.000 0.983 385 N HN 0.214 nan 8.380 nan 0.000 0.429 386 T N 1.079 115.687 114.554 0.090 0.000 2.684 386 T HA -0.173 4.177 4.350 -0.000 0.000 0.267 386 T C 1.793 176.639 174.700 0.243 0.000 1.036 386 T CA 1.176 63.367 62.100 0.151 0.000 1.148 386 T CB -0.185 68.733 68.868 0.082 0.000 0.863 386 T HN 0.315 nan 8.240 nan 0.000 0.436 387 Q N 0.258 120.185 119.800 0.212 0.000 2.083 387 Q HA 0.061 4.401 4.340 -0.000 0.000 0.198 387 Q C 2.516 178.672 176.000 0.259 0.000 0.969 387 Q CA 0.916 56.917 55.803 0.330 0.000 0.838 387 Q CB -0.366 28.567 28.738 0.325 0.000 0.900 387 Q HN 0.473 nan 8.270 nan 0.000 0.436 388 L N -0.083 121.221 121.223 0.136 0.000 2.012 388 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 388 L C 2.386 179.319 176.870 0.105 0.000 1.073 388 L CA 1.290 56.165 54.840 0.059 0.000 0.748 388 L CB -0.516 41.571 42.059 0.047 0.000 0.891 388 L HN 0.202 nan 8.230 nan 0.000 0.431 389 F N 0.620 120.599 119.950 0.048 0.000 2.102 389 F HA -0.209 4.318 4.527 -0.000 0.000 0.298 389 F C 2.182 178.038 175.800 0.093 0.000 1.105 389 F CA 1.502 59.535 58.000 0.055 0.000 1.239 389 F CB -0.270 38.762 39.000 0.053 0.000 0.991 389 F HN -0.135 nan 8.300 nan 0.000 0.474 390 L N -0.004 121.247 121.223 0.047 0.000 2.046 390 L HA -0.247 4.093 4.340 -0.000 0.000 0.208 390 L C 2.610 179.530 176.870 0.082 0.000 1.077 390 L CA 1.625 56.487 54.840 0.037 0.000 0.747 390 L CB -0.949 41.285 42.059 0.292 0.000 0.896 390 L HN 0.251 nan 8.230 nan 0.000 0.432 391 Q N -0.476 119.353 119.800 0.047 0.000 2.084 391 Q HA -0.246 4.094 4.340 -0.000 0.000 0.202 391 Q C 2.252 178.158 176.000 -0.157 0.000 0.978 391 Q CA 1.650 57.334 55.803 -0.198 0.000 0.844 391 Q CB -0.018 28.461 28.738 -0.430 0.000 0.898 391 Q HN 0.590 nan 8.270 nan 0.000 0.426 392 Q N -0.323 119.393 119.800 -0.141 0.000 2.165 392 Q HA -0.048 4.292 4.340 -0.000 0.000 0.197 392 Q C 1.222 177.141 176.000 -0.136 0.000 0.952 392 Q CA 0.862 56.594 55.803 -0.119 0.000 0.848 392 Q CB 0.473 29.173 28.738 -0.064 0.000 0.931 392 Q HN 0.320 nan 8.270 nan 0.000 0.470 393 E N -0.344 119.702 120.200 -0.255 0.000 2.465 393 E HA 0.015 4.364 4.350 -0.000 0.000 0.209 393 E C 1.727 178.134 176.600 -0.323 0.000 0.951 393 E CA 0.587 56.834 56.400 -0.255 0.000 0.997 393 E CB 0.578 30.135 29.700 -0.238 0.000 1.025 393 E HN 0.194 nan 8.360 nan 0.000 0.500 394 S N 0.332 115.766 115.700 -0.442 0.000 2.423 394 S HA -0.012 4.458 4.470 -0.000 0.000 0.231 394 S C 1.863 176.409 174.600 -0.090 0.000 1.014 394 S CA 0.809 58.848 58.200 -0.270 0.000 0.965 394 S CB -0.229 62.840 63.200 -0.219 0.000 0.785 394 S HN 0.346 nan 8.310 nan 0.000 0.495 395 G N 0.926 109.691 108.800 -0.058 0.000 2.153 395 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.252 395 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.252 395 G C 0.758 175.681 174.900 0.037 0.000 0.994 395 G CA 0.987 46.082 45.100 -0.008 0.000 0.698 395 G HN 1.159 nan 8.290 nan 0.000 0.521 396 T N -2.590 112.010 114.554 0.077 0.000 3.100 396 T HA 0.157 4.507 4.350 -0.000 0.000 0.253 396 T C 2.245 177.099 174.700 0.257 0.000 1.118 396 T CA 1.868 64.057 62.100 0.148 0.000 1.058 396 T CB -0.122 68.850 68.868 0.173 0.000 0.953 396 T HN 0.961 nan 8.240 nan 0.000 0.515 397 T N 0.534 115.234 114.554 0.243 0.000 3.057 397 T HA 0.069 4.419 4.350 -0.000 0.000 0.254 397 T C 2.006 176.853 174.700 0.246 0.000 1.094 397 T CA 0.053 62.360 62.100 0.345 0.000 1.088 397 T CB -0.337 68.660 68.868 0.215 0.000 0.934 397 T HN 0.592 nan 8.240 nan 0.000 0.497 398 R N 1.258 121.846 120.500 0.145 0.000 2.189 398 R HA 0.109 4.449 4.340 -0.000 0.000 0.223 398 R C 0.064 176.425 176.300 0.103 0.000 1.092 398 R CA 0.504 56.669 56.100 0.108 0.000 0.989 398 R CB -0.591 29.747 30.300 0.062 0.000 0.876 398 R HN 0.322 nan 8.270 nan 0.000 0.457 399 V N 2.488 122.465 119.914 0.105 0.000 2.459 399 V HA 0.300 4.420 4.120 -0.000 0.000 0.295 399 V C 0.117 176.285 176.094 0.123 0.000 1.029 399 V CA -0.943 61.403 62.300 0.076 0.000 0.874 399 V CB 1.877 33.712 31.823 0.019 0.000 0.985 399 V HN 0.118 nan 8.190 nan 0.000 0.438 400 I N 4.232 124.865 120.570 0.105 0.000 2.452 400 I HA 0.154 4.324 4.170 -0.000 0.000 0.287 400 I C 0.533 176.694 176.117 0.072 0.000 1.079 400 I CA 0.244 61.647 61.300 0.172 0.000 1.387 400 I CB 0.038 38.103 38.000 0.107 0.000 1.404 400 I HN 0.768 nan 8.210 nan 0.000 0.522 401 D N 8.125 128.543 120.400 0.031 0.000 3.142 401 D HA -0.139 4.501 4.640 -0.000 0.000 0.221 401 D C -1.448 174.808 176.300 -0.073 0.000 1.193 401 D CA -0.032 53.847 54.000 -0.200 0.000 0.900 401 D CB 0.292 41.084 40.800 -0.013 0.000 0.886 401 D HN 0.345 nan 8.370 nan 0.000 0.399 402 P HA -0.149 nan 4.420 nan 0.000 0.218 402 P C 1.402 178.575 177.300 -0.212 0.000 1.148 402 P CA 1.296 64.291 63.100 -0.175 0.000 0.822 402 P CB -0.201 31.335 31.700 -0.273 0.000 0.784 403 W N 0.297 121.624 121.300 0.045 0.000 3.047 403 W HA 0.169 4.829 4.660 -0.000 0.000 0.250 403 W C 1.178 177.745 176.519 0.081 0.000 1.314 403 W CA -0.101 57.298 57.345 0.090 0.000 1.540 403 W CB -0.507 29.022 29.460 0.114 0.000 1.127 403 W HN -0.147 nan 8.180 nan 0.000 0.679 404 S N 0.709 116.545 115.700 0.226 0.000 2.673 404 S HA 0.269 4.739 4.470 -0.000 0.000 0.308 404 S C 1.328 176.013 174.600 0.142 0.000 1.246 404 S CA 1.405 59.726 58.200 0.202 0.000 1.077 404 S CB 0.062 63.355 63.200 0.155 0.000 0.814 404 S HN 0.733 nan 8.310 nan 0.000 0.503 405 G N 3.058 111.952 108.800 0.157 0.000 2.284 405 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.230 405 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.230 405 G C 0.410 175.456 174.900 0.243 0.000 1.021 405 G CA 0.343 45.498 45.100 0.093 0.000 0.619 405 G HN 1.683 nan 8.290 nan 0.000 0.510 406 S N 1.323 117.190 115.700 0.279 0.000 2.626 406 S HA 0.414 4.884 4.470 -0.000 0.000 0.303 406 S C 1.941 176.700 174.600 0.267 0.000 1.256 406 S CA 0.862 59.242 58.200 0.300 0.000 1.069 406 S CB 0.781 64.208 63.200 0.378 0.000 0.807 406 S HN 1.797 nan 8.310 nan 0.000 0.500 407 A N 5.663 128.622 122.820 0.232 0.000 1.883 407 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 407 A C 1.870 179.480 177.584 0.045 0.000 1.186 407 A CA 1.788 53.898 52.037 0.122 0.000 0.624 407 A CB -1.277 17.737 19.000 0.023 0.000 0.822 407 A HN 1.067 nan 8.150 nan 0.000 0.444 408 Y N 0.238 120.389 120.300 -0.247 0.000 2.114 408 Y HA -0.211 4.339 4.550 -0.000 0.000 0.284 408 Y C 2.400 178.044 175.900 -0.426 0.000 1.143 408 Y CA 1.567 59.231 58.100 -0.727 0.000 1.135 408 Y CB -0.032 38.072 38.460 -0.593 0.000 0.980 408 Y HN 0.129 nan 8.280 nan 0.000 0.499 409 V N 0.728 120.505 119.914 -0.228 0.000 2.358 409 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 409 V C 2.154 178.225 176.094 -0.039 0.000 1.047 409 V CA 1.990 64.160 62.300 -0.217 0.000 1.035 409 V CB -0.576 31.212 31.823 -0.059 0.000 0.658 409 V HN 0.432 nan 8.190 nan 0.000 0.452 410 E N 0.070 120.341 120.200 0.118 0.000 2.077 410 E HA -0.247 4.103 4.350 -0.000 0.000 0.193 410 E C 2.205 178.971 176.600 0.277 0.000 0.989 410 E CA 1.399 57.967 56.400 0.280 0.000 0.800 410 E CB -0.180 29.715 29.700 0.324 0.000 0.746 410 E HN 0.655 nan 8.360 nan 0.000 0.452 411 E N 1.204 121.486 120.200 0.136 0.000 2.077 411 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 411 E C 2.207 178.885 176.600 0.130 0.000 0.989 411 E CA 0.788 57.294 56.400 0.177 0.000 0.800 411 E CB -0.340 29.414 29.700 0.089 0.000 0.746 411 E HN 0.187 nan 8.360 nan 0.000 0.452 412 L N -0.041 121.148 121.223 -0.055 0.000 2.046 412 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 412 L C 2.486 179.335 176.870 -0.035 0.000 1.077 412 L CA 1.758 56.538 54.840 -0.100 0.000 0.747 412 L CB -0.853 41.044 42.059 -0.270 0.000 0.896 412 L HN 0.213 nan 8.230 nan 0.000 0.432 413 T N -1.143 113.417 114.554 0.010 0.000 2.684 413 T HA -0.286 4.064 4.350 -0.000 0.000 0.267 413 T C 1.479 176.252 174.700 0.122 0.000 1.036 413 T CA 1.658 63.755 62.100 -0.006 0.000 1.148 413 T CB -0.438 68.424 68.868 -0.010 0.000 0.863 413 T HN 0.518 nan 8.240 nan 0.000 0.436 414 W N 1.826 123.203 121.300 0.129 0.000 2.358 414 W HA -0.178 4.482 4.660 -0.000 0.000 0.303 414 W C 1.581 178.140 176.519 0.068 0.000 1.208 414 W CA 0.848 58.321 57.345 0.214 0.000 1.274 414 W CB 0.006 29.663 29.460 0.329 0.000 1.138 414 W HN 0.264 nan 8.180 nan 0.000 0.515 415 D N 0.640 121.060 120.400 0.034 0.000 2.117 415 D HA -0.165 4.475 4.640 -0.000 0.000 0.198 415 D C 2.269 178.480 176.300 -0.149 0.000 0.982 415 D CA 1.454 55.371 54.000 -0.138 0.000 0.828 415 D CB -0.805 39.960 40.800 -0.059 0.000 0.967 415 D HN 0.250 nan 8.370 nan 0.000 0.464 416 L N 0.654 121.812 121.223 -0.108 0.000 2.056 416 L HA -0.102 4.238 4.340 -0.000 0.000 0.207 416 L C 2.543 179.346 176.870 -0.111 0.000 1.078 416 L CA 1.018 55.785 54.840 -0.122 0.000 0.749 416 L CB -0.444 41.526 42.059 -0.148 0.000 0.901 416 L HN -0.027 nan 8.230 nan 0.000 0.433 417 A N 0.355 123.114 122.820 -0.101 0.000 1.865 417 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 417 A C 2.389 179.928 177.584 -0.076 0.000 1.191 417 A CA 1.763 53.757 52.037 -0.073 0.000 0.623 417 A CB -0.529 18.441 19.000 -0.050 0.000 0.826 417 A HN 0.316 nan 8.150 nan 0.000 0.444 418 R N -0.351 120.010 120.500 -0.232 0.000 2.073 418 R HA -0.097 4.243 4.340 -0.000 0.000 0.234 418 R C 2.309 178.518 176.300 -0.151 0.000 1.134 418 R CA 1.655 57.605 56.100 -0.250 0.000 0.952 418 R CB -0.298 29.688 30.300 -0.522 0.000 0.850 418 R HN 0.521 nan 8.270 nan 0.000 0.433 419 K N 0.371 120.658 120.400 -0.189 0.000 2.026 419 K HA -0.093 4.227 4.320 -0.000 0.000 0.208 419 K C 2.210 178.658 176.600 -0.253 0.000 1.048 419 K CA 1.442 57.584 56.287 -0.241 0.000 0.929 419 K CB -0.188 32.200 32.500 -0.187 0.000 0.713 419 K HN 0.139 nan 8.250 nan 0.000 0.439 420 A N 1.392 124.175 122.820 -0.061 0.000 1.902 420 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 420 A C 1.927 179.573 177.584 0.102 0.000 1.181 420 A CA 1.016 53.090 52.037 0.062 0.000 0.623 420 A CB -0.937 18.107 19.000 0.073 0.000 0.818 420 A HN 0.591 nan 8.150 nan 0.000 0.443 421 W N 0.723 121.975 121.300 -0.081 0.000 2.363 421 W HA -0.163 4.497 4.660 -0.000 0.000 0.296 421 W C 2.090 178.571 176.519 -0.063 0.000 1.212 421 W CA 1.507 58.826 57.345 -0.044 0.000 1.260 421 W CB -0.361 29.070 29.460 -0.050 0.000 1.131 421 W HN 0.399 nan 8.180 nan 0.000 0.530 422 G N -0.392 108.371 108.800 -0.061 0.000 2.421 422 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.216 422 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.216 422 G C 1.230 176.013 174.900 -0.195 0.000 1.171 422 G CA 1.194 46.192 45.100 -0.170 0.000 0.775 422 G HN 0.313 nan 8.290 nan 0.000 0.543 423 H N 0.397 119.424 119.070 -0.071 0.000 2.389 423 H HA 0.053 4.609 4.556 -0.000 0.000 0.299 423 H C 2.712 177.999 175.328 -0.067 0.000 1.081 423 H CA 0.922 56.937 56.048 -0.056 0.000 1.345 423 H CB -0.263 29.460 29.762 -0.065 0.000 1.393 423 H HN 0.344 nan 8.280 nan 0.000 0.520 424 I N 1.111 121.663 120.570 -0.030 0.000 2.179 424 I HA -0.302 3.868 4.170 -0.000 0.000 0.242 424 I C 2.587 178.550 176.117 -0.257 0.000 1.088 424 I CA 1.280 62.492 61.300 -0.147 0.000 1.357 424 I CB -0.248 37.584 38.000 -0.281 0.000 1.051 424 I HN 0.219 nan 8.210 nan 0.000 0.409 425 Q N 0.399 119.967 119.800 -0.387 0.000 2.061 425 Q HA -0.254 4.086 4.340 -0.000 0.000 0.204 425 Q C 2.494 178.412 176.000 -0.136 0.000 0.984 425 Q CA 2.187 57.810 55.803 -0.301 0.000 0.846 425 Q CB -0.438 28.124 28.738 -0.293 0.000 0.902 425 Q HN 0.685 nan 8.270 nan 0.000 0.421 426 E N 0.669 120.825 120.200 -0.074 0.000 2.051 426 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 426 E C 2.107 178.700 176.600 -0.011 0.000 0.991 426 E CA 1.618 58.007 56.400 -0.018 0.000 0.799 426 E CB -1.099 28.619 29.700 0.030 0.000 0.748 426 E HN 0.214 nan 8.360 nan 0.000 0.449 427 V N 1.244 121.161 119.914 0.006 0.000 2.287 427 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 427 V C 2.698 178.776 176.094 -0.027 0.000 1.053 427 V CA 2.366 64.668 62.300 0.003 0.000 1.027 427 V CB -0.491 31.355 31.823 0.039 0.000 0.646 427 V HN 0.670 nan 8.190 nan 0.000 0.447 428 E N 0.649 120.819 120.200 -0.050 0.000 2.110 428 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 428 E C 2.251 178.826 176.600 -0.043 0.000 0.988 428 E CA 1.574 57.944 56.400 -0.051 0.000 0.804 428 E CB -0.158 29.493 29.700 -0.082 0.000 0.745 428 E HN 0.399 nan 8.360 nan 0.000 0.458 429 K N -0.876 119.498 120.400 -0.043 0.000 2.148 429 K HA 0.022 4.342 4.320 -0.000 0.000 0.204 429 K C 1.899 178.483 176.600 -0.026 0.000 1.050 429 K CA 0.973 57.241 56.287 -0.033 0.000 0.942 429 K CB -0.655 31.827 32.500 -0.030 0.000 0.724 429 K HN 0.161 nan 8.250 nan 0.000 0.446 430 V N -0.283 119.616 119.914 -0.026 0.000 3.646 430 V HA 0.224 4.344 4.120 -0.000 0.000 0.277 430 V C 1.309 177.383 176.094 -0.032 0.000 1.274 430 V CA 1.130 63.414 62.300 -0.027 0.000 1.164 430 V CB -0.190 31.618 31.823 -0.024 0.000 0.926 430 V HN 0.700 nan 8.190 nan 0.000 0.442 431 G N -0.895 107.887 108.800 -0.031 0.000 2.163 431 G HA2 0.088 4.048 3.960 -0.000 0.000 0.213 431 G HA3 0.088 4.048 3.960 -0.000 0.000 0.213 431 G C 0.748 175.627 174.900 -0.035 0.000 0.991 431 G CA -0.066 45.015 45.100 -0.031 0.000 0.653 431 G HN 1.769 nan 8.290 nan 0.000 0.518 432 G N -1.610 107.170 108.800 -0.034 0.000 2.707 432 G HA2 0.149 4.109 3.960 -0.000 0.000 0.686 432 G HA3 0.149 4.109 3.960 -0.000 0.000 0.686 432 G C 0.722 175.583 174.900 -0.065 0.000 1.315 432 G CA 0.260 45.339 45.100 -0.035 0.000 0.832 432 G HN 0.718 nan 8.290 nan 0.000 0.573 433 M N 0.513 120.068 119.600 -0.076 0.000 2.086 433 M HA -0.097 4.383 4.480 -0.000 0.000 0.261 433 M C 3.077 179.292 176.300 -0.141 0.000 1.067 433 M CA 2.826 58.054 55.300 -0.120 0.000 1.116 433 M CB -1.849 30.682 32.600 -0.115 0.000 1.348 433 M HN 1.281 nan 8.290 nan 0.000 0.407 434 A N 0.568 123.305 122.820 -0.139 0.000 1.892 434 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 434 A C 2.452 179.945 177.584 -0.151 0.000 1.188 434 A CA 2.578 54.522 52.037 -0.156 0.000 0.631 434 A CB -0.752 18.156 19.000 -0.154 0.000 0.822 434 A HN 0.461 nan 8.150 nan 0.000 0.447 435 K N -0.471 119.857 120.400 -0.119 0.000 2.057 435 K HA 0.040 4.360 4.320 -0.000 0.000 0.207 435 K C 2.490 179.028 176.600 -0.104 0.000 1.049 435 K CA 1.294 57.519 56.287 -0.103 0.000 0.931 435 K CB -1.449 31.005 32.500 -0.077 0.000 0.714 435 K HN 0.762 nan 8.250 nan 0.000 0.440 436 A N 1.048 123.803 122.820 -0.109 0.000 1.877 436 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 436 A C 2.330 179.832 177.584 -0.137 0.000 1.186 436 A CA 1.821 53.787 52.037 -0.118 0.000 0.620 436 A CB -0.652 18.263 19.000 -0.142 0.000 0.822 436 A HN 0.402 nan 8.150 nan 0.000 0.443 437 I N 0.240 120.713 120.570 -0.161 0.000 2.163 437 I HA -0.321 3.849 4.170 -0.000 0.000 0.243 437 I C 2.524 178.570 176.117 -0.118 0.000 1.085 437 I CA 1.970 63.183 61.300 -0.146 0.000 1.347 437 I CB -0.447 37.470 38.000 -0.138 0.000 1.044 437 I HN 0.640 nan 8.210 nan 0.000 0.408 438 E N 1.811 121.927 120.200 -0.139 0.000 2.267 438 E HA -0.238 4.112 4.350 -0.000 0.000 0.197 438 E C 1.700 178.259 176.600 -0.070 0.000 0.998 438 E CA 1.469 57.797 56.400 -0.119 0.000 0.830 438 E CB -0.391 29.222 29.700 -0.145 0.000 0.751 438 E HN 0.420 nan 8.360 nan 0.000 0.491 439 K N -0.414 119.949 120.400 -0.063 0.000 2.426 439 K HA 0.188 4.508 4.320 -0.000 0.000 0.193 439 K C 1.060 177.640 176.600 -0.034 0.000 1.028 439 K CA 0.409 56.669 56.287 -0.044 0.000 1.047 439 K CB 0.238 32.711 32.500 -0.045 0.000 0.821 439 K HN 0.311 nan 8.250 nan 0.000 0.513 440 G N 1.910 110.688 108.800 -0.036 0.000 2.160 440 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.251 440 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.251 440 G C 0.766 175.650 174.900 -0.027 0.000 1.008 440 G CA 0.130 45.215 45.100 -0.024 0.000 0.724 440 G HN 0.134 nan 8.290 nan 0.000 0.514 441 I N 1.029 121.575 120.570 -0.041 0.000 2.113 441 I HA -0.087 4.083 4.170 -0.000 0.000 0.238 441 I C 0.679 176.785 176.117 -0.017 0.000 1.070 441 I CA 1.854 63.137 61.300 -0.027 0.000 1.332 441 I CB -2.264 35.719 38.000 -0.028 0.000 1.044 441 I HN 0.106 nan 8.210 nan 0.000 0.402 442 P HA -0.215 nan 4.420 nan 0.000 0.215 442 P C 1.860 179.181 177.300 0.036 0.000 1.163 442 P CA 1.809 64.843 63.100 -0.109 0.000 0.894 442 P CB -0.122 31.261 31.700 -0.529 0.000 0.791 443 K N -0.754 119.646 120.400 -0.001 0.000 2.057 443 K HA -0.128 4.192 4.320 -0.000 0.000 0.207 443 K C 2.123 178.737 176.600 0.024 0.000 1.049 443 K CA 1.622 57.924 56.287 0.025 0.000 0.931 443 K CB -0.468 32.046 32.500 0.024 0.000 0.714 443 K HN 0.032 nan 8.250 nan 0.000 0.440 444 M N 0.023 119.633 119.600 0.017 0.000 2.117 444 M HA -0.186 4.294 4.480 -0.000 0.000 0.262 444 M C 2.371 178.681 176.300 0.016 0.000 1.065 444 M CA 1.606 56.913 55.300 0.013 0.000 1.114 444 M CB -0.248 32.357 32.600 0.008 0.000 1.361 444 M HN 0.110 nan 8.290 nan 0.000 0.408 445 R N 0.993 121.511 120.500 0.031 0.000 2.081 445 R HA -0.075 4.265 4.340 -0.000 0.000 0.235 445 R C 1.691 177.994 176.300 0.004 0.000 1.131 445 R CA 1.591 57.707 56.100 0.026 0.000 0.960 445 R CB -0.466 29.877 30.300 0.071 0.000 0.856 445 R HN 0.359 nan 8.270 nan 0.000 0.436 446 I N 0.110 120.694 120.570 0.022 0.000 2.286 446 I HA -0.182 3.988 4.170 -0.000 0.000 0.245 446 I C 1.996 178.092 176.117 -0.034 0.000 1.104 446 I CA 1.405 62.698 61.300 -0.012 0.000 1.397 446 I CB -0.240 37.774 38.000 0.024 0.000 1.072 446 I HN 0.303 nan 8.210 nan 0.000 0.417 447 E N 0.646 120.837 120.200 -0.016 0.000 2.110 447 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 447 E C 2.022 178.614 176.600 -0.012 0.000 0.988 447 E CA 1.131 57.521 56.400 -0.017 0.000 0.804 447 E CB 0.038 29.735 29.700 -0.006 0.000 0.745 447 E HN 0.476 nan 8.360 nan 0.000 0.458 448 E N 0.361 120.556 120.200 -0.009 0.000 2.051 448 E HA -0.182 4.167 4.350 -0.000 0.000 0.192 448 E C 2.059 178.649 176.600 -0.017 0.000 0.991 448 E CA 0.991 57.389 56.400 -0.003 0.000 0.799 448 E CB -0.103 29.594 29.700 -0.005 0.000 0.748 448 E HN 0.236 nan 8.360 nan 0.000 0.449 449 A N 1.339 124.132 122.820 -0.044 0.000 1.902 449 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 449 A C 2.372 179.909 177.584 -0.079 0.000 1.181 449 A CA 1.698 53.693 52.037 -0.070 0.000 0.623 449 A CB -0.677 18.261 19.000 -0.104 0.000 0.818 449 A HN 0.298 nan 8.150 nan 0.000 0.443 450 A N -0.232 122.534 122.820 -0.089 0.000 1.933 450 A HA 0.182 4.502 4.320 -0.000 0.000 0.218 450 A C 2.474 180.060 177.584 0.003 0.000 1.175 450 A CA 2.019 53.999 52.037 -0.095 0.000 0.628 450 A CB -0.901 18.043 19.000 -0.095 0.000 0.814 450 A HN 1.011 nan 8.150 nan 0.000 0.444 451 A N -0.413 122.431 122.820 0.041 0.000 1.898 451 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 451 A C 2.247 179.910 177.584 0.132 0.000 1.181 451 A CA 1.352 53.471 52.037 0.136 0.000 0.620 451 A CB -0.420 18.659 19.000 0.132 0.000 0.819 451 A HN 0.520 nan 8.150 nan 0.000 0.442 452 R N -0.954 119.573 120.500 0.046 0.000 2.073 452 R HA -0.095 4.245 4.340 -0.000 0.000 0.234 452 R C 2.318 178.629 176.300 0.018 0.000 1.134 452 R CA 1.899 58.004 56.100 0.007 0.000 0.952 452 R CB -0.746 29.546 30.300 -0.013 0.000 0.850 452 R HN 0.507 nan 8.270 nan 0.000 0.433 453 T N 0.644 115.214 114.554 0.028 0.000 2.746 453 T HA -0.207 4.143 4.350 -0.000 0.000 0.267 453 T C 1.732 176.516 174.700 0.141 0.000 1.039 453 T CA 1.505 63.645 62.100 0.067 0.000 1.142 453 T CB -0.181 68.687 68.868 0.001 0.000 0.866 453 T HN 0.183 nan 8.240 nan 0.000 0.444 454 Q N 1.024 120.929 119.800 0.175 0.000 2.084 454 Q HA 0.015 4.355 4.340 -0.000 0.000 0.202 454 Q C 2.296 178.443 176.000 0.245 0.000 0.978 454 Q CA 1.756 57.712 55.803 0.254 0.000 0.844 454 Q CB -0.648 28.265 28.738 0.293 0.000 0.898 454 Q HN 0.520 nan 8.270 nan 0.000 0.426 455 A N 0.401 123.276 122.820 0.092 0.000 1.877 455 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 455 A C 2.065 179.597 177.584 -0.087 0.000 1.186 455 A CA 1.684 53.571 52.037 -0.249 0.000 0.620 455 A CB -0.501 18.195 19.000 -0.507 0.000 0.822 455 A HN 0.413 nan 8.150 nan 0.000 0.443 456 R N -0.601 119.889 120.500 -0.017 0.000 2.081 456 R HA -0.038 4.302 4.340 -0.000 0.000 0.235 456 R C 2.008 178.336 176.300 0.047 0.000 1.131 456 R CA 1.631 57.742 56.100 0.017 0.000 0.960 456 R CB -0.484 29.845 30.300 0.048 0.000 0.856 456 R HN 0.572 nan 8.270 nan 0.000 0.436 457 I N 0.754 121.377 120.570 0.087 0.000 2.233 457 I HA -0.223 3.947 4.170 -0.000 0.000 0.243 457 I C 1.597 177.758 176.117 0.072 0.000 1.093 457 I CA 1.157 62.511 61.300 0.090 0.000 1.380 457 I CB -0.283 37.796 38.000 0.132 0.000 1.067 457 I HN 0.062 nan 8.210 nan 0.000 0.413 458 D N 0.720 121.178 120.400 0.098 0.000 2.104 458 D HA -0.169 4.471 4.640 -0.000 0.000 0.194 458 D C 2.344 178.680 176.300 0.060 0.000 0.994 458 D CA 1.956 56.018 54.000 0.104 0.000 0.830 458 D CB -0.273 40.645 40.800 0.198 0.000 0.959 458 D HN 0.324 nan 8.370 nan 0.000 0.452 459 S N -1.073 114.643 115.700 0.027 0.000 2.515 459 S HA 0.143 4.613 4.470 -0.000 0.000 0.231 459 S C 1.773 176.377 174.600 0.005 0.000 0.987 459 S CA 0.984 59.188 58.200 0.007 0.000 0.936 459 S CB 0.167 63.353 63.200 -0.023 0.000 0.766 459 S HN 0.376 nan 8.310 nan 0.000 0.528 460 G N 1.365 110.169 108.800 0.008 0.000 2.157 460 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.248 460 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.248 460 G C 0.907 175.804 174.900 -0.004 0.000 0.979 460 G CA 0.285 45.382 45.100 -0.005 0.000 0.650 460 G HN 0.501 nan 8.290 nan 0.000 0.529 461 R N -0.236 120.269 120.500 0.008 0.000 2.090 461 R HA 0.041 4.381 4.340 -0.000 0.000 0.228 461 R C 1.470 177.791 176.300 0.035 0.000 1.110 461 R CA 1.298 57.409 56.100 0.017 0.000 0.973 461 R CB 0.074 30.384 30.300 0.017 0.000 0.869 461 R HN 0.529 nan 8.270 nan 0.000 0.440 462 Q N 1.508 121.336 119.800 0.047 0.000 2.372 462 Q HA 0.264 4.604 4.340 -0.000 0.000 0.259 462 Q C -2.503 173.523 176.000 0.042 0.000 0.993 462 Q CA -2.518 53.327 55.803 0.071 0.000 0.854 462 Q CB 1.644 30.448 28.738 0.110 0.000 1.231 462 Q HN -0.124 nan 8.270 nan 0.000 0.462 463 P HA 0.004 nan 4.420 nan 0.000 0.267 463 P C -1.267 176.028 177.300 -0.008 0.000 1.200 463 P CA -0.161 62.929 63.100 -0.018 0.000 0.772 463 P CB 0.512 32.193 31.700 -0.032 0.000 0.855 464 L N 4.436 125.639 121.223 -0.035 0.000 2.595 464 L HA 0.294 4.634 4.340 -0.000 0.000 0.259 464 L C -1.035 175.810 176.870 -0.042 0.000 1.033 464 L CA -0.485 54.332 54.840 -0.039 0.000 0.901 464 L CB 0.388 42.415 42.059 -0.054 0.000 1.151 464 L HN 0.131 nan 8.230 nan 0.000 0.453 465 I N 4.764 125.322 120.570 -0.020 0.000 2.742 465 I HA 0.259 4.429 4.170 -0.000 0.000 0.287 465 I C 1.583 177.716 176.117 0.027 0.000 1.186 465 I CA 1.412 62.722 61.300 0.016 0.000 1.417 465 I CB -0.441 37.605 38.000 0.075 0.000 1.377 465 I HN 0.903 nan 8.210 nan 0.000 0.556 466 G N 4.424 113.250 108.800 0.043 0.000 2.195 466 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.246 466 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.246 466 G C 0.593 175.507 174.900 0.023 0.000 0.984 466 G CA 0.259 45.389 45.100 0.049 0.000 0.633 466 G HN 0.443 nan 8.290 nan 0.000 0.525 467 V N 0.794 120.706 119.914 -0.003 0.000 2.870 467 V HA 0.174 4.294 4.120 -0.000 0.000 0.232 467 V C 1.842 177.930 176.094 -0.009 0.000 1.161 467 V CA 1.868 64.164 62.300 -0.007 0.000 1.204 467 V CB 0.113 31.920 31.823 -0.027 0.000 1.003 467 V HN 0.566 nan 8.190 nan 0.000 0.499 468 N N -0.156 118.526 118.700 -0.029 0.000 2.184 468 N HA 0.157 4.897 4.740 -0.000 0.000 0.206 468 N C -0.087 175.372 175.510 -0.084 0.000 1.151 468 N CA -0.022 53.007 53.050 -0.035 0.000 0.878 468 N CB 0.575 39.048 38.487 -0.023 0.000 1.014 468 N HN 0.459 nan 8.380 nan 0.000 0.512 469 K N 0.013 120.335 120.400 -0.129 0.000 2.550 469 K HA 0.186 4.506 4.320 -0.000 0.000 0.252 469 K C -1.110 175.351 176.600 -0.232 0.000 0.943 469 K CA -0.676 55.428 56.287 -0.305 0.000 0.806 469 K CB 0.979 33.200 32.500 -0.466 0.000 1.289 469 K HN 0.105 nan 8.250 nan 0.000 0.435 470 Y N 0.881 121.190 120.300 0.014 0.000 3.234 470 Y HA -0.318 4.232 4.550 -0.000 0.000 0.207 470 Y C 0.130 176.039 175.900 0.015 0.000 1.316 470 Y CA -0.124 57.984 58.100 0.013 0.000 1.309 470 Y CB -1.362 37.105 38.460 0.012 0.000 1.408 470 Y HN 0.428 nan 8.280 nan 0.000 0.544 471 R N 0.763 121.335 120.500 0.120 0.000 2.694 471 R HA 0.400 4.740 4.340 -0.000 0.000 0.268 471 R C 0.373 176.722 176.300 0.082 0.000 1.061 471 R CA -0.513 55.636 56.100 0.081 0.000 1.133 471 R CB 0.592 30.924 30.300 0.055 0.000 1.020 471 R HN 0.253 nan 8.270 nan 0.000 0.475 472 L N 1.928 123.190 121.223 0.065 0.000 2.375 472 L HA 0.121 4.461 4.340 -0.000 0.000 0.271 472 L C 2.060 178.958 176.870 0.046 0.000 1.107 472 L CA 0.049 54.922 54.840 0.054 0.000 0.806 472 L CB 1.179 43.267 42.059 0.048 0.000 1.146 472 L HN 0.866 nan 8.230 nan 0.000 0.447 473 E N 1.209 121.432 120.200 0.038 0.000 2.031 473 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 473 E C 0.787 177.406 176.600 0.032 0.000 0.994 473 E CA 1.908 58.328 56.400 0.034 0.000 0.800 473 E CB -0.901 28.815 29.700 0.027 0.000 0.752 473 E HN 0.853 nan 8.360 nan 0.000 0.447 474 H N -0.406 118.681 119.070 0.028 0.000 2.637 474 H HA 0.687 5.243 4.556 -0.000 0.000 0.363 474 H C -0.900 174.444 175.328 0.027 0.000 1.131 474 H CA -0.513 55.551 56.048 0.026 0.000 1.183 474 H CB 1.214 30.988 29.762 0.019 0.000 1.637 474 H HN 0.226 nan 8.280 nan 0.000 0.531 475 E N 3.280 123.496 120.200 0.027 0.000 2.200 475 E HA 0.257 4.607 4.350 -0.000 0.000 0.283 475 E C -2.118 174.493 176.600 0.017 0.000 1.015 475 E CA -1.757 54.659 56.400 0.028 0.000 0.819 475 E CB 1.495 31.210 29.700 0.026 0.000 1.081 475 E HN 0.627 nan 8.360 nan 0.000 0.397 476 P HA 0.178 nan 4.420 nan 0.000 0.270 476 P C -2.396 174.910 177.300 0.011 0.000 1.223 476 P CA -1.004 62.106 63.100 0.018 0.000 0.785 476 P CB -0.591 31.127 31.700 0.030 0.000 0.923 477 P HA 0.211 nan 4.420 nan 0.000 0.269 477 P C -1.023 176.275 177.300 -0.002 0.000 1.209 477 P CA -0.012 63.078 63.100 -0.018 0.000 0.776 477 P CB 0.276 31.961 31.700 -0.026 0.000 0.876 478 L N 2.348 123.562 121.223 -0.016 0.000 2.446 478 L HA 0.355 4.695 4.340 -0.000 0.000 0.268 478 L C -1.087 175.771 176.870 -0.020 0.000 0.975 478 L CA -0.486 54.354 54.840 -0.000 0.000 0.848 478 L CB 1.468 43.531 42.059 0.005 0.000 1.225 478 L HN 0.145 nan 8.230 nan 0.000 0.410 479 D N 3.442 123.833 120.400 -0.015 0.000 2.371 479 D HA 0.421 5.060 4.640 -0.000 0.000 0.256 479 D C -0.169 176.119 176.300 -0.020 0.000 1.193 479 D CA 0.625 54.610 54.000 -0.025 0.000 0.881 479 D CB 0.986 41.770 40.800 -0.027 0.000 1.143 479 D HN 0.396 nan 8.370 nan 0.000 0.473 480 V N 0.437 120.329 119.914 -0.036 0.000 3.046 480 V HA 0.562 4.682 4.120 -0.000 0.000 0.316 480 V C -0.542 175.510 176.094 -0.070 0.000 1.104 480 V CA -1.340 60.934 62.300 -0.045 0.000 1.006 480 V CB 1.679 33.477 31.823 -0.041 0.000 1.058 480 V HN 0.309 nan 8.190 nan 0.000 0.440 481 L N 2.153 123.312 121.223 -0.106 0.000 2.360 481 L HA 0.519 4.859 4.340 -0.000 0.000 0.276 481 L C -0.012 176.785 176.870 -0.123 0.000 1.121 481 L CA 0.302 55.041 54.840 -0.168 0.000 0.845 481 L CB 0.393 42.267 42.059 -0.308 0.000 1.143 481 L HN 0.976 nan 8.230 nan 0.000 0.452 482 K N 4.946 125.285 120.400 -0.101 0.000 2.450 482 K HA 0.457 4.776 4.320 -0.000 0.000 0.257 482 K C -1.583 174.986 176.600 -0.051 0.000 0.953 482 K CA -0.715 55.538 56.287 -0.057 0.000 0.844 482 K CB 1.510 33.988 32.500 -0.036 0.000 1.103 482 K HN 0.535 nan 8.250 nan 0.000 0.429 483 V N 3.210 123.107 119.914 -0.030 0.000 2.583 483 V HA 0.035 4.155 4.120 -0.000 0.000 0.287 483 V C 0.099 176.195 176.094 0.004 0.000 1.051 483 V CA -0.436 61.869 62.300 0.009 0.000 1.010 483 V CB 1.261 33.112 31.823 0.048 0.000 0.988 483 V HN 0.736 nan 8.190 nan 0.000 0.478 484 D N 4.094 124.501 120.400 0.012 0.000 2.422 484 D HA 0.054 4.694 4.640 -0.000 0.000 0.227 484 D C 1.138 177.440 176.300 0.003 0.000 1.190 484 D CA 0.177 54.178 54.000 0.001 0.000 0.905 484 D CB 0.221 41.022 40.800 0.002 0.000 1.034 484 D HN 0.592 nan 8.370 nan 0.000 0.507 485 N N 2.531 121.228 118.700 -0.006 0.000 2.061 485 N HA -0.266 4.474 4.740 -0.000 0.000 0.193 485 N C 1.512 177.020 175.510 -0.003 0.000 1.030 485 N CA 1.798 54.845 53.050 -0.004 0.000 0.856 485 N CB 0.211 38.688 38.487 -0.017 0.000 1.023 485 N HN 0.452 nan 8.380 nan 0.000 0.424 486 S N -0.251 115.445 115.700 -0.006 0.000 2.383 486 S HA -0.161 4.309 4.470 -0.000 0.000 0.229 486 S C 2.182 176.781 174.600 -0.002 0.000 1.030 486 S CA 2.066 60.263 58.200 -0.005 0.000 1.002 486 S CB -1.110 62.086 63.200 -0.006 0.000 0.829 486 S HN 0.606 nan 8.310 nan 0.000 0.467 487 T N -0.191 114.362 114.554 -0.001 0.000 2.942 487 T HA 0.099 4.449 4.350 -0.000 0.000 0.265 487 T C 1.796 176.495 174.700 -0.000 0.000 1.062 487 T CA 0.909 63.008 62.100 -0.001 0.000 1.139 487 T CB -0.843 68.025 68.868 -0.001 0.000 0.883 487 T HN 0.243 nan 8.240 nan 0.000 0.468 488 V N 1.666 121.581 119.914 0.002 0.000 2.295 488 V HA -0.062 4.058 4.120 -0.000 0.000 0.246 488 V C 2.625 178.721 176.094 0.004 0.000 1.049 488 V CA 1.595 63.895 62.300 0.001 0.000 1.024 488 V CB -1.047 30.780 31.823 0.007 0.000 0.648 488 V HN 0.378 nan 8.190 nan 0.000 0.447 489 L N 0.941 122.167 121.223 0.006 0.000 2.013 489 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 489 L C 2.495 179.369 176.870 0.007 0.000 1.073 489 L CA 2.485 57.329 54.840 0.007 0.000 0.753 489 L CB -1.007 41.053 42.059 0.003 0.000 0.890 489 L HN 0.249 nan 8.230 nan 0.000 0.432 490 A N -1.078 121.745 122.820 0.004 0.000 1.902 490 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 490 A C 2.162 179.751 177.584 0.007 0.000 1.181 490 A CA 1.857 53.897 52.037 0.004 0.000 0.623 490 A CB -0.614 18.387 19.000 0.002 0.000 0.818 490 A HN 0.628 nan 8.150 nan 0.000 0.443 491 E N -0.678 119.525 120.200 0.005 0.000 2.106 491 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 491 E C 2.246 178.856 176.600 0.017 0.000 0.984 491 E CA 1.067 57.470 56.400 0.005 0.000 0.806 491 E CB -0.150 29.547 29.700 -0.004 0.000 0.750 491 E HN 0.555 nan 8.360 nan 0.000 0.458 492 Q N 0.938 120.749 119.800 0.018 0.000 2.079 492 Q HA -0.089 4.251 4.340 -0.000 0.000 0.200 492 Q C 1.973 177.992 176.000 0.031 0.000 0.974 492 Q CA 1.082 56.902 55.803 0.029 0.000 0.840 492 Q CB -0.187 28.566 28.738 0.025 0.000 0.898 492 Q HN 0.218 nan 8.270 nan 0.000 0.430 493 K N 0.561 120.975 120.400 0.023 0.000 2.032 493 K HA -0.091 4.229 4.320 -0.000 0.000 0.209 493 K C 2.096 178.713 176.600 0.028 0.000 1.048 493 K CA 1.284 57.584 56.287 0.021 0.000 0.927 493 K CB -0.183 32.326 32.500 0.014 0.000 0.712 493 K HN 0.149 nan 8.250 nan 0.000 0.441 494 A N 1.692 124.529 122.820 0.028 0.000 1.933 494 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 494 A C 1.901 179.520 177.584 0.058 0.000 1.175 494 A CA 1.496 53.553 52.037 0.033 0.000 0.628 494 A CB -0.271 18.741 19.000 0.020 0.000 0.814 494 A HN 0.193 nan 8.150 nan 0.000 0.444 495 K N -0.558 119.889 120.400 0.078 0.000 2.097 495 K HA -0.005 4.315 4.320 -0.000 0.000 0.205 495 K C 1.803 178.497 176.600 0.156 0.000 1.050 495 K CA 1.223 57.605 56.287 0.159 0.000 0.938 495 K CB -0.329 32.279 32.500 0.179 0.000 0.718 495 K HN 0.478 nan 8.250 nan 0.000 0.442 496 L N 0.506 121.774 121.223 0.074 0.000 2.141 496 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 496 L C 2.269 179.157 176.870 0.031 0.000 1.094 496 L CA 0.672 55.530 54.840 0.030 0.000 0.763 496 L CB -0.353 41.715 42.059 0.013 0.000 0.908 496 L HN -0.026 nan 8.230 nan 0.000 0.437 497 V N 0.063 120.003 119.914 0.044 0.000 2.270 497 V HA -0.313 3.807 4.120 -0.000 0.000 0.245 497 V C 2.564 178.693 176.094 0.058 0.000 1.043 497 V CA 1.979 64.302 62.300 0.038 0.000 1.014 497 V CB -0.507 31.335 31.823 0.032 0.000 0.645 497 V HN 0.435 nan 8.190 nan 0.000 0.447 498 K N -0.233 120.225 120.400 0.098 0.000 2.009 498 K HA -0.239 4.081 4.320 -0.000 0.000 0.210 498 K C 2.219 178.938 176.600 0.199 0.000 1.049 498 K CA 1.945 58.320 56.287 0.147 0.000 0.929 498 K CB -0.332 32.269 32.500 0.168 0.000 0.714 498 K HN 0.297 nan 8.250 nan 0.000 0.440 499 L N 1.703 123.037 121.223 0.185 0.000 2.013 499 L HA -0.209 4.131 4.340 -0.000 0.000 0.212 499 L C 2.387 179.231 176.870 -0.044 0.000 1.073 499 L CA 1.704 56.501 54.840 -0.071 0.000 0.753 499 L CB -0.303 41.565 42.059 -0.319 0.000 0.890 499 L HN 0.161 nan 8.230 nan 0.000 0.432 500 R N -0.918 119.571 120.500 -0.020 0.000 2.096 500 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 500 R C 2.197 178.499 176.300 0.003 0.000 1.127 500 R CA 1.262 57.353 56.100 -0.015 0.000 0.968 500 R CB -0.605 29.690 30.300 -0.008 0.000 0.861 500 R HN 0.535 nan 8.270 nan 0.000 0.440 501 A N 1.168 124.001 122.820 0.022 0.000 1.929 501 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 501 A C 1.754 179.357 177.584 0.031 0.000 1.176 501 A CA 1.162 53.215 52.037 0.026 0.000 0.628 501 A CB -0.119 18.902 19.000 0.035 0.000 0.816 501 A HN 0.298 nan 8.150 nan 0.000 0.444 502 E N -0.275 119.955 120.200 0.051 0.000 2.318 502 E HA -0.028 4.322 4.350 -0.000 0.000 0.193 502 E C 1.024 177.643 176.600 0.031 0.000 0.998 502 E CA -0.034 56.399 56.400 0.056 0.000 0.859 502 E CB -0.034 29.737 29.700 0.118 0.000 0.812 502 E HN 0.726 nan 8.360 nan 0.000 0.492 503 R N 1.683 122.187 120.500 0.007 0.000 2.577 503 R HA 0.136 4.476 4.340 -0.000 0.000 0.269 503 R C -0.130 176.163 176.300 -0.011 0.000 1.084 503 R CA -0.461 55.631 56.100 -0.012 0.000 1.163 503 R CB 0.501 30.776 30.300 -0.043 0.000 1.100 503 R HN -0.252 nan 8.270 nan 0.000 0.547 504 D N 1.549 121.940 120.400 -0.014 0.000 2.316 504 D HA 0.164 4.804 4.640 -0.000 0.000 0.245 504 D C -1.713 174.575 176.300 -0.019 0.000 1.171 504 D CA -2.533 51.459 54.000 -0.014 0.000 0.856 504 D CB 1.639 42.431 40.800 -0.014 0.000 1.090 504 D HN 0.286 nan 8.370 nan 0.000 0.476 505 P HA -0.138 nan 4.420 nan 0.000 0.215 505 P C 1.168 178.456 177.300 -0.020 0.000 1.157 505 P CA 2.051 65.141 63.100 -0.018 0.000 0.868 505 P CB 0.222 31.914 31.700 -0.014 0.000 0.788 506 E N 0.815 121.004 120.200 -0.019 0.000 2.072 506 E HA -0.209 4.141 4.350 -0.000 0.000 0.191 506 E C 1.914 178.498 176.600 -0.026 0.000 0.985 506 E CA 1.496 57.883 56.400 -0.022 0.000 0.801 506 E CB -1.317 28.370 29.700 -0.021 0.000 0.750 506 E HN 0.339 nan 8.360 nan 0.000 0.452 507 K N -0.087 120.298 120.400 -0.026 0.000 2.097 507 K HA -0.045 4.275 4.320 -0.000 0.000 0.206 507 K C 2.342 178.923 176.600 -0.031 0.000 1.049 507 K CA 1.214 57.483 56.287 -0.029 0.000 0.933 507 K CB -0.163 32.321 32.500 -0.026 0.000 0.717 507 K HN 0.294 nan 8.250 nan 0.000 0.442 508 V N 1.675 121.570 119.914 -0.031 0.000 2.358 508 V HA -0.246 3.874 4.120 -0.000 0.000 0.246 508 V C 2.327 178.401 176.094 -0.032 0.000 1.047 508 V CA 1.670 63.949 62.300 -0.035 0.000 1.035 508 V CB -0.392 31.408 31.823 -0.037 0.000 0.658 508 V HN 0.315 nan 8.190 nan 0.000 0.452 509 K N 0.368 120.751 120.400 -0.028 0.000 2.057 509 K HA -0.150 4.170 4.320 -0.000 0.000 0.207 509 K C 2.205 178.789 176.600 -0.028 0.000 1.049 509 K CA 1.504 57.776 56.287 -0.026 0.000 0.931 509 K CB -0.327 32.159 32.500 -0.023 0.000 0.714 509 K HN 0.416 nan 8.250 nan 0.000 0.440 510 A N 0.968 123.768 122.820 -0.033 0.000 1.898 510 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 510 A C 2.305 179.866 177.584 -0.038 0.000 1.181 510 A CA 1.789 53.801 52.037 -0.040 0.000 0.620 510 A CB -0.756 18.216 19.000 -0.047 0.000 0.819 510 A HN 0.474 nan 8.150 nan 0.000 0.442 511 A N -0.240 122.560 122.820 -0.034 0.000 1.898 511 A HA -0.011 4.309 4.320 -0.000 0.000 0.216 511 A C 2.172 179.742 177.584 -0.022 0.000 1.181 511 A CA 1.435 53.455 52.037 -0.028 0.000 0.620 511 A CB -0.596 18.385 19.000 -0.032 0.000 0.819 511 A HN 0.464 nan 8.150 nan 0.000 0.442 512 L N -0.429 120.778 121.223 -0.025 0.000 2.017 512 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 512 L C 2.019 178.880 176.870 -0.015 0.000 1.073 512 L CA 1.516 56.341 54.840 -0.025 0.000 0.745 512 L CB -0.667 41.375 42.059 -0.027 0.000 0.894 512 L HN 0.306 nan 8.230 nan 0.000 0.432 513 D N -0.111 120.284 120.400 -0.009 0.000 2.178 513 D HA -0.180 4.460 4.640 -0.000 0.000 0.202 513 D C 2.095 178.428 176.300 0.054 0.000 0.974 513 D CA 0.991 54.997 54.000 0.010 0.000 0.841 513 D CB 0.003 40.800 40.800 -0.004 0.000 0.953 513 D HN 0.222 nan 8.370 nan 0.000 0.478 514 K N 0.394 120.820 120.400 0.042 0.000 2.097 514 K HA -0.060 4.260 4.320 -0.000 0.000 0.206 514 K C 2.151 178.860 176.600 0.182 0.000 1.049 514 K CA 0.599 56.951 56.287 0.109 0.000 0.933 514 K CB -0.013 32.502 32.500 0.025 0.000 0.717 514 K HN 0.070 nan 8.250 nan 0.000 0.442 515 I N 0.370 120.979 120.570 0.065 0.000 2.202 515 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 515 I C 2.035 178.121 176.117 -0.052 0.000 1.091 515 I CA 1.425 62.723 61.300 -0.003 0.000 1.368 515 I CB -0.382 37.589 38.000 -0.049 0.000 1.058 515 I HN 0.222 nan 8.210 nan 0.000 0.410 516 T N -0.230 114.299 114.554 -0.042 0.000 2.708 516 T HA -0.266 4.084 4.350 -0.000 0.000 0.266 516 T C 1.385 176.058 174.700 -0.045 0.000 1.037 516 T CA 1.663 63.709 62.100 -0.090 0.000 1.146 516 T CB -0.549 68.285 68.868 -0.057 0.000 0.865 516 T HN 0.552 nan 8.240 nan 0.000 0.435 517 W N 2.287 123.526 121.300 -0.103 0.000 2.333 517 W HA -0.128 4.532 4.660 -0.000 0.000 0.316 517 W C 2.584 179.056 176.519 -0.078 0.000 1.215 517 W CA 1.397 58.696 57.345 -0.078 0.000 1.278 517 W CB -0.690 28.735 29.460 -0.057 0.000 1.154 517 W HN 0.235 nan 8.180 nan 0.000 0.486 518 A N 0.674 123.362 122.820 -0.221 0.000 1.933 518 A HA -0.023 4.297 4.320 -0.000 0.000 0.218 518 A C 2.111 179.476 177.584 -0.366 0.000 1.175 518 A CA 2.536 54.294 52.037 -0.466 0.000 0.628 518 A CB -1.537 17.392 19.000 -0.119 0.000 0.814 518 A HN 0.487 nan 8.150 nan 0.000 0.444 519 A N -0.567 122.074 122.820 -0.298 0.000 1.902 519 A HA 0.122 4.442 4.320 -0.000 0.000 0.217 519 A C 2.294 179.714 177.584 -0.273 0.000 1.181 519 A CA 1.826 53.653 52.037 -0.351 0.000 0.623 519 A CB -1.194 17.370 19.000 -0.728 0.000 0.818 519 A HN 0.786 nan 8.150 nan 0.000 0.443 520 G N -1.457 107.170 108.800 -0.289 0.000 2.813 520 G HA2 0.056 4.016 3.960 -0.000 0.000 0.209 520 G HA3 0.056 4.016 3.960 -0.000 0.000 0.209 520 G C 0.431 175.178 174.900 -0.256 0.000 1.150 520 G CA 0.113 45.086 45.100 -0.212 0.000 0.785 520 G HN 0.462 nan 8.290 nan 0.000 0.535 521 N N 1.172 119.623 118.700 -0.415 0.000 2.733 521 N HA 0.205 4.945 4.740 -0.000 0.000 0.271 521 N C -3.057 172.204 175.510 -0.416 0.000 1.720 521 N CA -0.732 52.044 53.050 -0.456 0.000 0.803 521 N CB 2.185 40.198 38.487 -0.791 0.000 1.208 521 N HN 0.135 nan 8.380 nan 0.000 0.498 522 P HA 0.130 nan 4.420 nan 0.000 0.268 522 P C -0.565 176.655 177.300 -0.134 0.000 1.205 522 P CA 0.347 63.347 63.100 -0.166 0.000 0.771 522 P CB 1.054 32.700 31.700 -0.089 0.000 0.858 523 D N 1.397 121.735 120.400 -0.103 0.000 2.318 523 D HA 0.082 4.722 4.640 -0.000 0.000 0.233 523 D C 0.171 176.452 176.300 -0.031 0.000 1.348 523 D CA -0.254 53.711 54.000 -0.058 0.000 0.983 523 D CB 0.352 41.125 40.800 -0.045 0.000 1.416 523 D HN 0.005 nan 8.370 nan 0.000 0.558 524 D N 1.895 122.281 120.400 -0.022 0.000 2.263 524 D HA -0.093 4.547 4.640 -0.000 0.000 0.208 524 D C 1.194 177.496 176.300 0.003 0.000 0.971 524 D CA 0.855 54.849 54.000 -0.010 0.000 0.867 524 D CB 0.454 41.248 40.800 -0.009 0.000 0.929 524 D HN 0.477 nan 8.370 nan 0.000 0.492 525 K N 0.004 120.408 120.400 0.007 0.000 2.426 525 K HA -0.012 4.308 4.320 -0.000 0.000 0.193 525 K C 0.191 176.804 176.600 0.022 0.000 1.028 525 K CA 0.029 56.325 56.287 0.014 0.000 1.047 525 K CB 0.498 33.006 32.500 0.014 0.000 0.821 525 K HN -0.050 nan 8.250 nan 0.000 0.513 526 D N 1.134 121.549 120.400 0.026 0.000 2.427 526 D HA 0.102 4.742 4.640 -0.000 0.000 0.226 526 D C -1.819 174.510 176.300 0.049 0.000 1.076 526 D CA -2.580 51.446 54.000 0.042 0.000 0.849 526 D CB 1.530 42.365 40.800 0.059 0.000 1.052 526 D HN -0.164 nan 8.370 nan 0.000 0.515 527 P HA -0.041 nan 4.420 nan 0.000 0.223 527 P C 0.461 177.811 177.300 0.082 0.000 1.151 527 P CA 0.638 63.774 63.100 0.060 0.000 0.787 527 P CB 0.470 32.194 31.700 0.039 0.000 0.788 528 D N -0.573 119.877 120.400 0.084 0.000 2.347 528 D HA -0.066 4.574 4.640 -0.000 0.000 0.215 528 D C 1.810 178.191 176.300 0.135 0.000 0.976 528 D CA 0.542 54.601 54.000 0.099 0.000 0.884 528 D CB 0.045 40.895 40.800 0.084 0.000 0.915 528 D HN 0.241 nan 8.370 nan 0.000 0.526 529 R N 0.846 121.429 120.500 0.139 0.000 2.334 529 R HA 0.022 4.361 4.340 -0.000 0.000 0.216 529 R C 0.653 176.987 176.300 0.057 0.000 0.905 529 R CA -0.272 55.910 56.100 0.137 0.000 1.064 529 R CB 0.229 30.570 30.300 0.067 0.000 1.046 529 R HN -0.045 nan 8.270 nan 0.000 0.508 530 N N 1.537 120.276 118.700 0.065 0.000 2.359 530 N HA -0.109 4.631 4.740 -0.000 0.000 0.261 530 N C 1.004 176.520 175.510 0.010 0.000 1.267 530 N CA 0.220 53.300 53.050 0.050 0.000 0.864 530 N CB 0.752 39.312 38.487 0.121 0.000 1.063 530 N HN 0.222 nan 8.380 nan 0.000 0.474 531 L N 3.292 124.502 121.223 -0.021 0.000 2.127 531 L HA -0.214 4.126 4.340 -0.000 0.000 0.211 531 L C 2.234 179.044 176.870 -0.099 0.000 1.089 531 L CA 0.698 55.509 54.840 -0.050 0.000 0.757 531 L CB -0.338 41.697 42.059 -0.040 0.000 0.899 531 L HN 0.564 nan 8.230 nan 0.000 0.434 532 L N 0.072 121.199 121.223 -0.161 0.000 2.027 532 L HA -0.185 4.155 4.340 -0.000 0.000 0.206 532 L C 2.580 179.231 176.870 -0.365 0.000 1.074 532 L CA 1.802 56.455 54.840 -0.313 0.000 0.745 532 L CB -0.784 40.981 42.059 -0.489 0.000 0.898 532 L HN 0.090 nan 8.230 nan 0.000 0.433 533 K N -0.081 120.131 120.400 -0.313 0.000 2.020 533 K HA -0.198 4.122 4.320 -0.000 0.000 0.212 533 K C 2.104 178.665 176.600 -0.066 0.000 1.050 533 K CA 2.236 58.451 56.287 -0.121 0.000 0.929 533 K CB -0.535 32.026 32.500 0.103 0.000 0.714 533 K HN 0.450 nan 8.250 nan 0.000 0.443 534 L N 0.159 121.359 121.223 -0.039 0.000 2.201 534 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 534 L C 2.769 179.608 176.870 -0.051 0.000 1.105 534 L CA 0.703 55.531 54.840 -0.021 0.000 0.775 534 L CB -0.376 41.693 42.059 0.017 0.000 0.913 534 L HN 0.232 nan 8.230 nan 0.000 0.440 535 C N -0.113 119.135 119.300 -0.086 0.000 2.457 535 C HA -0.075 4.385 4.460 -0.000 0.000 0.278 535 C C 2.737 177.669 174.990 -0.096 0.000 1.309 535 C CA 0.270 59.233 59.018 -0.091 0.000 1.735 535 C CB -0.471 27.206 27.740 -0.105 0.000 1.992 535 C HN 0.422 nan 8.230 nan 0.000 0.493 536 I N 1.223 121.719 120.570 -0.122 0.000 2.163 536 I HA -0.218 3.952 4.170 -0.000 0.000 0.243 536 I C 2.101 178.180 176.117 -0.063 0.000 1.085 536 I CA 1.638 62.875 61.300 -0.106 0.000 1.347 536 I CB -0.474 37.449 38.000 -0.129 0.000 1.044 536 I HN 0.329 nan 8.210 nan 0.000 0.408 537 D N 0.901 121.272 120.400 -0.048 0.000 2.117 537 D HA -0.128 4.512 4.640 -0.000 0.000 0.198 537 D C 2.237 178.515 176.300 -0.037 0.000 0.982 537 D CA 1.556 55.536 54.000 -0.033 0.000 0.828 537 D CB -0.223 40.564 40.800 -0.021 0.000 0.967 537 D HN 0.366 nan 8.370 nan 0.000 0.464 538 A N 0.748 123.542 122.820 -0.043 0.000 1.929 538 A HA 0.057 4.377 4.320 -0.000 0.000 0.216 538 A C 2.358 179.911 177.584 -0.051 0.000 1.176 538 A CA 1.807 53.817 52.037 -0.044 0.000 0.628 538 A CB -0.936 18.038 19.000 -0.044 0.000 0.816 538 A HN 0.291 nan 8.150 nan 0.000 0.444 539 G N -0.553 108.214 108.800 -0.055 0.000 2.418 539 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 539 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 539 G C 1.735 176.605 174.900 -0.049 0.000 1.158 539 G CA 0.959 46.026 45.100 -0.055 0.000 0.771 539 G HN 0.535 nan 8.290 nan 0.000 0.545 540 R N 0.570 121.045 120.500 -0.042 0.000 2.092 540 R HA 0.073 4.413 4.340 -0.000 0.000 0.231 540 R C 2.555 178.835 176.300 -0.032 0.000 1.119 540 R CA 1.180 57.261 56.100 -0.032 0.000 0.970 540 R CB -0.286 29.998 30.300 -0.027 0.000 0.864 540 R HN 0.276 nan 8.270 nan 0.000 0.440 541 A N 0.261 123.059 122.820 -0.037 0.000 2.235 541 A HA 0.067 4.387 4.320 -0.000 0.000 0.208 541 A C 0.834 178.386 177.584 -0.053 0.000 1.172 541 A CA 0.685 52.699 52.037 -0.038 0.000 0.786 541 A CB -0.251 18.727 19.000 -0.036 0.000 0.804 541 A HN 0.580 nan 8.150 nan 0.000 0.479 542 M N -2.787 116.770 119.600 -0.072 0.000 2.879 542 M HA -0.179 4.301 4.480 -0.000 0.000 0.218 542 M C 0.393 176.627 176.300 -0.110 0.000 0.518 542 M CA 0.273 55.505 55.300 -0.114 0.000 0.751 542 M CB -2.225 30.290 32.600 -0.140 0.000 2.742 542 M HN 0.586 nan 8.290 nan 0.000 0.557 543 A N 0.571 123.342 122.820 -0.082 0.000 2.351 543 A HA 0.668 4.988 4.320 -0.000 0.000 0.257 543 A C 0.861 178.398 177.584 -0.079 0.000 1.087 543 A CA 0.466 52.461 52.037 -0.071 0.000 0.798 543 A CB 0.396 19.362 19.000 -0.056 0.000 1.033 543 A HN 0.533 nan 8.150 nan 0.000 0.488 544 T N -1.308 113.205 114.554 -0.069 0.000 2.862 544 T HA 0.389 4.739 4.350 -0.000 0.000 0.276 544 T C 1.153 175.821 174.700 -0.054 0.000 0.974 544 T CA -0.072 61.990 62.100 -0.064 0.000 0.966 544 T CB 0.737 69.575 68.868 -0.051 0.000 1.072 544 T HN 0.369 nan 8.240 nan 0.000 0.538 545 V N 1.470 121.353 119.914 -0.052 0.000 2.295 545 V HA -0.008 4.112 4.120 -0.000 0.000 0.246 545 V C 2.915 178.973 176.094 -0.059 0.000 1.049 545 V CA 2.436 64.698 62.300 -0.062 0.000 1.024 545 V CB -1.543 30.236 31.823 -0.073 0.000 0.648 545 V HN 1.113 nan 8.190 nan 0.000 0.447 546 G N -0.769 108.005 108.800 -0.043 0.000 2.418 546 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 546 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 546 G C 1.478 176.360 174.900 -0.029 0.000 1.158 546 G CA 0.929 46.008 45.100 -0.036 0.000 0.771 546 G HN 0.563 nan 8.290 nan 0.000 0.545 547 E N -0.247 119.938 120.200 -0.025 0.000 2.051 547 E HA -0.052 4.298 4.350 -0.000 0.000 0.192 547 E C 2.643 179.226 176.600 -0.028 0.000 0.991 547 E CA 0.947 57.333 56.400 -0.023 0.000 0.799 547 E CB -0.170 29.512 29.700 -0.029 0.000 0.748 547 E HN 0.409 nan 8.360 nan 0.000 0.449 548 M N 0.272 119.851 119.600 -0.035 0.000 2.117 548 M HA -0.145 4.335 4.480 -0.000 0.000 0.262 548 M C 2.416 178.707 176.300 -0.014 0.000 1.065 548 M CA 1.122 56.401 55.300 -0.035 0.000 1.114 548 M CB -0.037 32.536 32.600 -0.044 0.000 1.361 548 M HN -0.011 nan 8.290 nan 0.000 0.408 549 S N 0.459 116.159 115.700 -0.000 0.000 2.368 549 S HA -0.140 4.330 4.470 -0.000 0.000 0.225 549 S C 1.375 176.022 174.600 0.079 0.000 1.030 549 S CA 1.305 59.545 58.200 0.067 0.000 0.999 549 S CB -0.448 62.728 63.200 -0.040 0.000 0.844 549 S HN 0.426 nan 8.310 nan 0.000 0.459 550 D N 1.854 122.263 120.400 0.015 0.000 2.178 550 D HA 0.017 4.657 4.640 -0.000 0.000 0.201 550 D C 2.049 178.347 176.300 -0.003 0.000 0.980 550 D CA 1.117 55.127 54.000 0.017 0.000 0.842 550 D CB -0.423 40.381 40.800 0.006 0.000 0.948 550 D HN 0.407 nan 8.370 nan 0.000 0.472 551 A N 0.288 123.089 122.820 -0.031 0.000 1.969 551 A HA -0.059 4.260 4.320 -0.000 0.000 0.218 551 A C 2.300 179.793 177.584 -0.152 0.000 1.169 551 A CA 0.723 52.718 52.037 -0.071 0.000 0.635 551 A CB -0.519 18.444 19.000 -0.062 0.000 0.810 551 A HN 0.199 nan 8.150 nan 0.000 0.445 552 L N -1.222 119.896 121.223 -0.174 0.000 2.131 552 L HA -0.073 4.267 4.340 -0.000 0.000 0.206 552 L C 2.540 179.181 176.870 -0.382 0.000 1.087 552 L CA 1.242 55.829 54.840 -0.422 0.000 0.767 552 L CB -0.372 41.446 42.059 -0.401 0.000 0.917 552 L HN 0.513 nan 8.230 nan 0.000 0.441 553 E N 0.445 120.656 120.200 0.018 0.000 2.160 553 E HA -0.227 4.123 4.350 -0.000 0.000 0.195 553 E C 1.959 178.585 176.600 0.044 0.000 0.991 553 E CA 0.856 57.365 56.400 0.182 0.000 0.810 553 E CB 0.266 30.099 29.700 0.221 0.000 0.742 553 E HN 0.255 nan 8.360 nan 0.000 0.466 554 K N 0.018 120.392 120.400 -0.043 0.000 2.074 554 K HA -0.152 4.168 4.320 -0.000 0.000 0.209 554 K C 2.077 178.634 176.600 -0.072 0.000 1.048 554 K CA 1.172 57.428 56.287 -0.050 0.000 0.926 554 K CB -0.258 32.200 32.500 -0.070 0.000 0.713 554 K HN 0.158 nan 8.250 nan 0.000 0.444 555 V N -0.452 119.357 119.914 -0.174 0.000 2.672 555 V HA -0.016 4.104 4.120 -0.000 0.000 0.242 555 V C 1.956 178.063 176.094 0.021 0.000 1.059 555 V CA 0.885 63.092 62.300 -0.156 0.000 1.081 555 V CB -0.338 31.268 31.823 -0.363 0.000 0.752 555 V HN 0.128 nan 8.190 nan 0.000 0.472 556 F N 0.816 120.736 119.950 -0.051 0.000 2.512 556 F HA 0.440 4.967 4.527 -0.000 0.000 0.296 556 F C 1.597 177.463 175.800 0.111 0.000 1.110 556 F CA 0.502 58.493 58.000 -0.014 0.000 1.446 556 F CB -0.067 38.831 39.000 -0.170 0.000 1.092 556 F HN 0.354 nan 8.300 nan 0.000 0.554 557 G N 1.418 110.404 108.800 0.310 0.000 2.814 557 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.677 557 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.677 557 G C -0.813 174.286 174.900 0.333 0.000 1.429 557 G CA -0.938 44.315 45.100 0.255 0.000 0.868 557 G HN 0.269 nan 8.290 nan 0.000 0.553 558 R N -0.450 120.189 120.500 0.232 0.000 2.445 558 R HA 0.501 4.841 4.340 -0.000 0.000 0.308 558 R C -0.519 175.933 176.300 0.254 0.000 0.961 558 R CA -0.757 55.466 56.100 0.206 0.000 0.862 558 R CB 1.490 31.866 30.300 0.127 0.000 1.144 558 R HN 0.603 nan 8.270 nan 0.000 0.447 559 Y N 1.238 121.638 120.300 0.166 0.000 2.301 559 Y HA 0.231 4.781 4.550 -0.000 0.000 0.325 559 Y C -0.451 175.555 175.900 0.177 0.000 1.203 559 Y CA 0.317 58.495 58.100 0.130 0.000 1.255 559 Y CB 1.565 40.090 38.460 0.107 0.000 1.232 559 Y HN 0.402 nan 8.280 nan 0.000 0.501 560 T N 5.773 120.026 114.554 -0.501 0.000 2.840 560 T HA 0.687 5.037 4.350 -0.000 0.000 0.287 560 T C -0.646 173.637 174.700 -0.696 0.000 0.991 560 T CA -0.516 61.395 62.100 -0.315 0.000 0.964 560 T CB 0.720 69.507 68.868 -0.136 0.000 0.954 560 T HN 0.855 nan 8.240 nan 0.000 0.438 561 A N 3.039 125.664 122.820 -0.324 0.000 2.304 561 A HA 0.578 4.898 4.320 -0.000 0.000 0.271 561 A C 0.185 177.697 177.584 -0.119 0.000 1.091 561 A CA -0.533 51.380 52.037 -0.207 0.000 0.812 561 A CB 0.480 19.543 19.000 0.106 0.000 1.056 561 A HN 0.760 nan 8.150 nan 0.000 0.489 562 Q N 0.724 120.481 119.800 -0.073 0.000 2.257 562 Q HA 0.437 4.777 4.340 -0.000 0.000 0.255 562 Q C -1.052 174.938 176.000 -0.016 0.000 0.920 562 Q CA -0.600 55.176 55.803 -0.046 0.000 0.927 562 Q CB 0.636 29.351 28.738 -0.038 0.000 1.229 562 Q HN 0.606 nan 8.270 nan 0.000 0.433 563 I N 4.364 124.923 120.570 -0.018 0.000 2.342 563 I HA 0.343 4.513 4.170 -0.000 0.000 0.291 563 I C -0.006 176.105 176.117 -0.010 0.000 1.010 563 I CA 0.019 61.312 61.300 -0.012 0.000 1.308 563 I CB 1.011 38.999 38.000 -0.020 0.000 1.400 563 I HN 0.645 nan 8.210 nan 0.000 0.488 564 R N 3.669 124.166 120.500 -0.005 0.000 2.561 564 R HA 0.605 4.945 4.340 -0.000 0.000 0.297 564 R C -0.837 175.461 176.300 -0.004 0.000 0.969 564 R CA -0.573 55.525 56.100 -0.004 0.000 0.879 564 R CB 2.352 32.651 30.300 -0.002 0.000 1.178 564 R HN 0.526 nan 8.270 nan 0.000 0.445 565 T N 4.095 118.647 114.554 -0.004 0.000 2.812 565 T HA 0.374 4.724 4.350 -0.000 0.000 0.282 565 T C 0.419 175.120 174.700 0.003 0.000 0.990 565 T CA -0.742 61.356 62.100 -0.004 0.000 0.960 565 T CB 0.882 69.745 68.868 -0.008 0.000 0.948 565 T HN 0.512 nan 8.240 nan 0.000 0.438 566 I N 1.067 121.640 120.570 0.005 0.000 3.138 566 I HA 0.731 4.901 4.170 -0.000 0.000 0.288 566 I C 0.234 176.363 176.117 0.020 0.000 1.148 566 I CA -0.411 60.897 61.300 0.013 0.000 1.315 566 I CB 0.809 38.818 38.000 0.015 0.000 1.426 566 I HN 0.649 nan 8.210 nan 0.000 0.615 567 S N 1.066 116.782 115.700 0.026 0.000 2.564 567 S HA 0.673 5.143 4.470 -0.000 0.000 0.274 567 S C 0.214 174.840 174.600 0.043 0.000 1.124 567 S CA -0.260 57.962 58.200 0.036 0.000 0.869 567 S CB 1.210 64.430 63.200 0.032 0.000 1.105 567 S HN 1.946 nan 8.310 nan 0.000 0.472 568 G N 0.272 109.107 108.800 0.058 0.000 2.249 568 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.273 568 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.273 568 G C 0.404 175.340 174.900 0.059 0.000 1.036 568 G CA 0.389 45.526 45.100 0.060 0.000 0.824 568 G HN 1.115 nan 8.290 nan 0.000 0.504 569 V N -1.213 118.748 119.914 0.078 0.000 2.690 569 V HA 0.079 4.199 4.120 -0.000 0.000 0.240 569 V C 1.996 178.138 176.094 0.080 0.000 1.078 569 V CA 1.784 64.122 62.300 0.064 0.000 1.102 569 V CB -0.752 31.105 31.823 0.058 0.000 0.800 569 V HN 0.461 nan 8.190 nan 0.000 0.479 570 Y N 2.473 122.782 120.300 0.014 0.000 2.070 570 Y HA -0.316 4.234 4.550 -0.000 0.000 0.280 570 Y C 2.880 178.793 175.900 0.022 0.000 1.148 570 Y CA 2.418 60.530 58.100 0.020 0.000 1.125 570 Y CB -0.330 38.146 38.460 0.026 0.000 0.975 570 Y HN 0.364 nan 8.280 nan 0.000 0.492 571 S N -0.208 115.568 115.700 0.128 0.000 2.402 571 S HA -0.218 4.252 4.470 -0.000 0.000 0.229 571 S C 2.050 176.628 174.600 -0.037 0.000 1.021 571 S CA 1.322 59.541 58.200 0.032 0.000 0.974 571 S CB -0.552 62.715 63.200 0.112 0.000 0.800 571 S HN 0.548 nan 8.310 nan 0.000 0.484 572 K N 1.358 121.748 120.400 -0.017 0.000 2.097 572 K HA -0.148 4.172 4.320 -0.000 0.000 0.205 572 K C 2.234 178.803 176.600 -0.053 0.000 1.050 572 K CA 1.510 57.783 56.287 -0.023 0.000 0.938 572 K CB -0.241 32.257 32.500 -0.003 0.000 0.718 572 K HN 0.332 nan 8.250 nan 0.000 0.442 573 E N 0.432 120.581 120.200 -0.085 0.000 2.033 573 E HA -0.130 4.220 4.350 -0.000 0.000 0.199 573 E C -0.257 176.281 176.600 -0.102 0.000 1.011 573 E CA 1.349 57.692 56.400 -0.096 0.000 0.815 573 E CB 0.187 29.814 29.700 -0.121 0.000 0.755 573 E HN 0.081 nan 8.360 nan 0.000 0.451 574 V N 1.842 121.666 119.914 -0.151 0.000 2.305 574 V HA 0.287 4.407 4.120 -0.000 0.000 0.275 574 V C -0.361 175.678 176.094 -0.091 0.000 1.020 574 V CA -0.693 61.542 62.300 -0.109 0.000 0.811 574 V CB 1.262 33.020 31.823 -0.108 0.000 1.031 574 V HN 0.057 nan 8.190 nan 0.000 0.439 575 K N 1.898 122.266 120.400 -0.054 0.000 2.168 575 K HA 0.549 4.869 4.320 -0.000 0.000 0.258 575 K C 1.121 177.709 176.600 -0.021 0.000 1.010 575 K CA 0.723 56.990 56.287 -0.032 0.000 0.929 575 K CB 0.244 32.732 32.500 -0.020 0.000 0.998 575 K HN 0.904 nan 8.250 nan 0.000 0.479 576 N N 0.255 118.949 118.700 -0.010 0.000 2.727 576 N HA -0.172 4.568 4.740 -0.000 0.000 0.251 576 N C -0.363 175.146 175.510 -0.001 0.000 1.040 576 N CA 1.176 54.224 53.050 -0.003 0.000 0.712 576 N CB -2.129 36.356 38.487 -0.003 0.000 0.912 576 N HN 0.472 nan 8.380 nan 0.000 0.545 577 T N 0.182 114.737 114.554 0.001 0.000 2.837 577 T HA 0.555 4.905 4.350 -0.000 0.000 0.285 577 T C -1.012 173.697 174.700 0.015 0.000 0.984 577 T CA -0.753 61.351 62.100 0.007 0.000 1.049 577 T CB 1.659 70.531 68.868 0.007 0.000 0.947 577 T HN 0.349 nan 8.240 nan 0.000 0.472 578 P HA -0.095 nan 4.420 nan 0.000 0.215 578 P C 1.105 178.419 177.300 0.022 0.000 1.157 578 P CA 1.169 64.279 63.100 0.017 0.000 0.868 578 P CB 0.311 32.020 31.700 0.015 0.000 0.788 579 E N -0.386 119.832 120.200 0.029 0.000 2.085 579 E HA -0.118 4.232 4.350 -0.000 0.000 0.194 579 E C 2.123 178.748 176.600 0.043 0.000 0.994 579 E CA 0.907 57.329 56.400 0.037 0.000 0.801 579 E CB -1.398 28.331 29.700 0.047 0.000 0.743 579 E HN 0.006 nan 8.360 nan 0.000 0.453 580 V N 0.975 120.921 119.914 0.053 0.000 2.295 580 V HA -0.297 3.823 4.120 -0.000 0.000 0.246 580 V C 2.564 178.681 176.094 0.038 0.000 1.049 580 V CA 2.448 64.786 62.300 0.063 0.000 1.024 580 V CB -1.142 30.726 31.823 0.075 0.000 0.648 580 V HN 0.514 nan 8.190 nan 0.000 0.447 581 E N -0.050 120.165 120.200 0.026 0.000 2.077 581 E HA -0.317 4.033 4.350 -0.000 0.000 0.193 581 E C 2.125 178.731 176.600 0.009 0.000 0.989 581 E CA 1.608 58.018 56.400 0.016 0.000 0.800 581 E CB -0.618 29.090 29.700 0.012 0.000 0.746 581 E HN 0.804 nan 8.360 nan 0.000 0.452 582 E N -0.236 119.971 120.200 0.011 0.000 2.051 582 E HA -0.059 4.291 4.350 -0.000 0.000 0.192 582 E C 2.391 178.991 176.600 -0.001 0.000 0.991 582 E CA 1.090 57.494 56.400 0.007 0.000 0.799 582 E CB -0.272 29.435 29.700 0.012 0.000 0.748 582 E HN 0.466 nan 8.360 nan 0.000 0.449 583 A N 1.238 124.059 122.820 0.002 0.000 1.877 583 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 583 A C 2.203 179.763 177.584 -0.040 0.000 1.186 583 A CA 1.605 53.633 52.037 -0.015 0.000 0.620 583 A CB -0.521 18.477 19.000 -0.004 0.000 0.822 583 A HN 0.201 nan 8.150 nan 0.000 0.443 584 R N -0.353 120.134 120.500 -0.022 0.000 2.083 584 R HA -0.157 4.183 4.340 -0.000 0.000 0.237 584 R C 2.193 178.469 176.300 -0.040 0.000 1.137 584 R CA 1.788 57.868 56.100 -0.033 0.000 0.951 584 R CB -0.344 29.952 30.300 -0.007 0.000 0.851 584 R HN 0.702 nan 8.270 nan 0.000 0.434 585 E N 0.504 120.689 120.200 -0.025 0.000 2.077 585 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 585 E C 2.038 178.622 176.600 -0.028 0.000 0.989 585 E CA 1.070 57.457 56.400 -0.021 0.000 0.800 585 E CB -0.111 29.583 29.700 -0.010 0.000 0.746 585 E HN 0.293 nan 8.360 nan 0.000 0.452 586 L N 0.521 121.723 121.223 -0.034 0.000 2.131 586 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 586 L C 2.413 179.249 176.870 -0.058 0.000 1.092 586 L CA 0.625 55.445 54.840 -0.033 0.000 0.759 586 L CB -0.308 41.734 42.059 -0.028 0.000 0.903 586 L HN 0.063 nan 8.230 nan 0.000 0.435 587 V N -0.321 119.509 119.914 -0.139 0.000 2.379 587 V HA -0.221 3.899 4.120 -0.000 0.000 0.245 587 V C 2.341 178.379 176.094 -0.093 0.000 1.044 587 V CA 1.590 63.746 62.300 -0.240 0.000 1.036 587 V CB -0.355 31.230 31.823 -0.397 0.000 0.664 587 V HN 0.446 nan 8.190 nan 0.000 0.453 588 E N 0.025 120.190 120.200 -0.058 0.000 2.051 588 E HA -0.248 4.102 4.350 -0.000 0.000 0.192 588 E C 2.224 178.822 176.600 -0.003 0.000 0.991 588 E CA 1.499 57.885 56.400 -0.024 0.000 0.799 588 E CB -0.143 29.543 29.700 -0.022 0.000 0.748 588 E HN 0.679 nan 8.360 nan 0.000 0.449 589 E N 0.321 120.520 120.200 -0.002 0.000 2.077 589 E HA -0.194 4.155 4.350 -0.000 0.000 0.193 589 E C 1.826 178.432 176.600 0.009 0.000 0.989 589 E CA 0.908 57.306 56.400 -0.003 0.000 0.800 589 E CB -0.210 29.485 29.700 -0.007 0.000 0.746 589 E HN 0.188 nan 8.360 nan 0.000 0.452 590 F N 1.936 121.814 119.950 -0.119 0.000 2.069 590 F HA -0.269 4.258 4.527 -0.000 0.000 0.298 590 F C 2.416 178.145 175.800 -0.118 0.000 1.113 590 F CA 2.052 59.968 58.000 -0.141 0.000 1.214 590 F CB -0.006 38.868 39.000 -0.211 0.000 0.978 590 F HN -0.047 nan 8.300 nan 0.000 0.474 591 E N -0.362 119.944 120.200 0.177 0.000 2.070 591 E HA -0.282 4.068 4.350 -0.000 0.000 0.197 591 E C 2.177 178.774 176.600 -0.004 0.000 1.004 591 E CA 1.691 58.149 56.400 0.096 0.000 0.805 591 E CB -0.161 29.577 29.700 0.063 0.000 0.744 591 E HN 0.486 nan 8.360 nan 0.000 0.451 592 Q N -0.255 119.530 119.800 -0.025 0.000 2.124 592 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 592 Q C 2.140 178.090 176.000 -0.083 0.000 0.977 592 Q CA 1.429 57.206 55.803 -0.044 0.000 0.850 592 Q CB -0.256 28.462 28.738 -0.035 0.000 0.901 592 Q HN 0.399 nan 8.270 nan 0.000 0.429 593 A N 1.291 124.027 122.820 -0.140 0.000 1.898 593 A HA -0.113 4.207 4.320 -0.000 0.000 0.214 593 A C 1.728 179.173 177.584 -0.231 0.000 1.183 593 A CA 1.045 52.971 52.037 -0.184 0.000 0.622 593 A CB 0.036 18.891 19.000 -0.241 0.000 0.824 593 A HN 0.176 nan 8.150 nan 0.000 0.444 594 E N -1.297 118.694 120.200 -0.348 0.000 2.472 594 E HA 0.229 4.579 4.350 -0.000 0.000 0.196 594 E C 1.170 177.702 176.600 -0.114 0.000 1.033 594 E CA 0.664 56.874 56.400 -0.316 0.000 0.886 594 E CB -0.018 29.281 29.700 -0.668 0.000 0.944 594 E HN 0.799 nan 8.360 nan 0.000 0.492 595 G N 2.542 111.304 108.800 -0.063 0.000 2.179 595 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.260 595 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.260 595 G C 0.327 175.258 174.900 0.051 0.000 0.977 595 G CA 0.617 45.716 45.100 -0.001 0.000 0.641 595 G HN 0.399 nan 8.290 nan 0.000 0.533 596 R N -1.809 118.755 120.500 0.107 0.000 2.741 596 R HA 0.597 4.937 4.340 -0.000 0.000 0.276 596 R C -0.493 175.961 176.300 0.257 0.000 1.028 596 R CA -1.171 55.024 56.100 0.159 0.000 0.865 596 R CB 0.719 31.123 30.300 0.173 0.000 1.268 596 R HN 0.154 nan 8.270 nan 0.000 0.475 597 R N 0.883 121.486 120.500 0.173 0.000 2.641 597 R HA 0.266 4.606 4.340 -0.000 0.000 0.269 597 R C -2.071 174.267 176.300 0.063 0.000 1.074 597 R CA -1.485 54.663 56.100 0.080 0.000 1.133 597 R CB 0.300 30.603 30.300 0.004 0.000 1.029 597 R HN 0.416 nan 8.270 nan 0.000 0.488 598 P HA 0.006 nan 4.420 nan 0.000 0.267 598 P C -0.998 176.332 177.300 0.050 0.000 1.205 598 P CA 0.309 62.979 63.100 -0.716 0.000 0.765 598 P CB 0.585 31.466 31.700 -1.365 0.000 0.828 599 R N 3.721 124.460 120.500 0.399 0.000 2.437 599 R HA 0.652 4.992 4.340 -0.000 0.000 0.310 599 R C -0.923 175.499 176.300 0.204 0.000 0.955 599 R CA -0.919 55.321 56.100 0.233 0.000 0.851 599 R CB 0.861 31.207 30.300 0.077 0.000 1.161 599 R HN 0.517 nan 8.270 nan 0.000 0.446 600 I N 4.535 125.209 120.570 0.173 0.000 2.608 600 I HA 0.336 4.506 4.170 -0.000 0.000 0.295 600 I C -1.534 174.605 176.117 0.036 0.000 1.049 600 I CA -1.305 60.057 61.300 0.103 0.000 1.063 600 I CB 1.835 39.889 38.000 0.089 0.000 1.248 600 I HN 0.571 nan 8.210 nan 0.000 0.424 601 L N 8.188 129.420 121.223 0.014 0.000 2.262 601 L HA 0.480 4.820 4.340 -0.000 0.000 0.288 601 L C -1.355 175.494 176.870 -0.034 0.000 1.035 601 L CA -0.087 54.748 54.840 -0.008 0.000 0.820 601 L CB 0.921 42.978 42.059 -0.003 0.000 1.204 601 L HN 0.501 nan 8.230 nan 0.000 0.424 602 L N 6.313 127.500 121.223 -0.060 0.000 2.295 602 L HA 0.572 4.912 4.340 -0.000 0.000 0.288 602 L C 0.364 177.197 176.870 -0.062 0.000 1.079 602 L CA -0.269 54.517 54.840 -0.090 0.000 0.830 602 L CB 0.618 42.595 42.059 -0.136 0.000 1.200 602 L HN 0.825 nan 8.230 nan 0.000 0.438 603 A N 4.692 127.485 122.820 -0.046 0.000 2.325 603 A HA 0.740 5.060 4.320 -0.000 0.000 0.333 603 A C -0.521 177.048 177.584 -0.026 0.000 1.155 603 A CA -0.755 51.264 52.037 -0.031 0.000 0.814 603 A CB 1.052 20.044 19.000 -0.013 0.000 1.206 603 A HN 0.447 nan 8.150 nan 0.000 0.482 604 K N 2.367 122.749 120.400 -0.029 0.000 2.425 604 K HA 0.522 4.842 4.320 -0.000 0.000 0.259 604 K C -0.952 175.647 176.600 -0.001 0.000 0.978 604 K CA 0.173 56.445 56.287 -0.025 0.000 0.883 604 K CB 1.263 33.718 32.500 -0.074 0.000 1.110 604 K HN 0.806 nan 8.250 nan 0.000 0.436 605 M N 0.561 120.180 119.600 0.031 0.000 2.598 605 M HA 0.536 5.016 4.480 -0.000 0.000 0.317 605 M C 0.639 176.986 176.300 0.079 0.000 1.179 605 M CA -0.286 55.043 55.300 0.049 0.000 0.936 605 M CB 2.091 34.716 32.600 0.041 0.000 1.713 605 M HN 0.808 nan 8.290 nan 0.000 0.460 606 G N 1.191 110.041 108.800 0.083 0.000 2.632 606 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.224 606 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.224 606 G C -0.118 174.884 174.900 0.170 0.000 1.341 606 G CA -0.525 44.628 45.100 0.089 0.000 0.880 606 G HN 0.640 nan 8.290 nan 0.000 0.566 607 Q N 0.358 120.257 119.800 0.165 0.000 2.360 607 Q HA 0.102 4.442 4.340 -0.000 0.000 0.202 607 Q C 0.867 177.051 176.000 0.307 0.000 0.915 607 Q CA 0.414 56.364 55.803 0.245 0.000 0.943 607 Q CB 0.038 28.833 28.738 0.096 0.000 1.064 607 Q HN 0.631 nan 8.270 nan 0.000 0.511 608 D N 0.635 121.169 120.400 0.224 0.000 2.581 608 D HA -0.053 4.587 4.640 -0.000 0.000 0.238 608 D C 0.905 177.293 176.300 0.148 0.000 1.145 608 D CA 0.574 54.694 54.000 0.199 0.000 0.866 608 D CB 0.585 41.498 40.800 0.189 0.000 1.151 608 D HN 0.247 nan 8.370 nan 0.000 0.500 609 G N 2.606 111.444 108.800 0.064 0.000 3.159 609 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.232 609 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.232 609 G C 0.218 175.062 174.900 -0.095 0.000 1.116 609 G CA -0.270 44.809 45.100 -0.035 0.000 0.767 609 G HN 0.553 nan 8.290 nan 0.000 0.547 610 H N 1.100 120.186 119.070 0.027 0.000 2.886 610 H HA 0.280 4.836 4.556 -0.000 0.000 0.329 610 H C 0.513 175.840 175.328 -0.001 0.000 1.044 610 H CA 0.953 57.019 56.048 0.030 0.000 1.456 610 H CB 1.428 31.220 29.762 0.049 0.000 1.464 610 H HN 0.349 nan 8.280 nan 0.000 0.573 611 D N 1.423 121.879 120.400 0.093 0.000 2.497 611 D HA -0.010 4.630 4.640 -0.000 0.000 0.256 611 D C 1.615 177.928 176.300 0.022 0.000 1.273 611 D CA -0.353 53.666 54.000 0.032 0.000 0.812 611 D CB -0.169 40.624 40.800 -0.012 0.000 1.190 611 D HN 0.434 nan 8.370 nan 0.000 0.524 612 R N 1.222 121.751 120.500 0.048 0.000 2.083 612 R HA -0.056 4.284 4.340 -0.000 0.000 0.237 612 R C 2.078 178.384 176.300 0.011 0.000 1.137 612 R CA 2.178 58.293 56.100 0.026 0.000 0.951 612 R CB -0.651 29.674 30.300 0.041 0.000 0.851 612 R HN 0.202 nan 8.270 nan 0.000 0.434 613 G N 0.207 109.020 108.800 0.020 0.000 2.404 613 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.215 613 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.215 613 G C 1.309 176.161 174.900 -0.079 0.000 1.174 613 G CA 0.627 45.715 45.100 -0.021 0.000 0.780 613 G HN 0.458 nan 8.290 nan 0.000 0.537 614 Q N 0.027 119.785 119.800 -0.070 0.000 2.096 614 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 614 Q C 2.354 178.284 176.000 -0.117 0.000 0.982 614 Q CA 1.372 57.111 55.803 -0.107 0.000 0.850 614 Q CB -0.058 28.634 28.738 -0.076 0.000 0.901 614 Q HN 0.209 nan 8.270 nan 0.000 0.422 615 K N 0.034 120.387 120.400 -0.079 0.000 2.103 615 K HA -0.054 4.266 4.320 -0.000 0.000 0.204 615 K C 2.029 178.580 176.600 -0.083 0.000 1.052 615 K CA 0.804 57.050 56.287 -0.069 0.000 0.945 615 K CB -0.764 31.713 32.500 -0.039 0.000 0.722 615 K HN 0.167 nan 8.250 nan 0.000 0.443 616 V N 1.655 121.518 119.914 -0.085 0.000 2.453 616 V HA -0.150 3.970 4.120 -0.000 0.000 0.247 616 V C 2.056 178.029 176.094 -0.201 0.000 1.048 616 V CA 0.978 63.219 62.300 -0.098 0.000 1.049 616 V CB -0.183 31.611 31.823 -0.049 0.000 0.672 616 V HN 0.090 nan 8.190 nan 0.000 0.457 617 I N 0.793 121.206 120.570 -0.262 0.000 2.179 617 I HA -0.188 3.982 4.170 -0.000 0.000 0.242 617 I C 2.806 178.689 176.117 -0.391 0.000 1.088 617 I CA 1.898 62.934 61.300 -0.440 0.000 1.357 617 I CB -1.857 35.805 38.000 -0.563 0.000 1.051 617 I HN 0.386 nan 8.210 nan 0.000 0.409 618 A N 0.155 122.820 122.820 -0.259 0.000 1.859 618 A HA -0.297 4.023 4.320 -0.000 0.000 0.217 618 A C 2.545 180.079 177.584 -0.083 0.000 1.198 618 A CA 2.903 54.845 52.037 -0.159 0.000 0.629 618 A CB -1.313 17.624 19.000 -0.105 0.000 0.830 618 A HN 0.405 nan 8.150 nan 0.000 0.446 619 T N -0.923 113.588 114.554 -0.072 0.000 2.821 619 T HA 0.042 4.392 4.350 -0.000 0.000 0.267 619 T C 1.976 176.666 174.700 -0.017 0.000 1.046 619 T CA 1.915 64.002 62.100 -0.020 0.000 1.139 619 T CB -0.444 68.425 68.868 0.002 0.000 0.871 619 T HN 0.559 nan 8.240 nan 0.000 0.454 620 A N -0.180 122.560 122.820 -0.133 0.000 1.898 620 A HA 0.018 4.338 4.320 -0.000 0.000 0.216 620 A C 2.076 179.663 177.584 0.005 0.000 1.181 620 A CA 1.301 53.192 52.037 -0.243 0.000 0.620 620 A CB -0.982 17.518 19.000 -0.833 0.000 0.819 620 A HN 0.585 nan 8.150 nan 0.000 0.442 621 Y N -0.027 120.134 120.300 -0.231 0.000 2.242 621 Y HA -0.060 4.490 4.550 -0.000 0.000 0.291 621 Y C 2.934 178.850 175.900 0.027 0.000 1.137 621 Y CA 0.330 58.308 58.100 -0.204 0.000 1.181 621 Y CB -0.944 37.200 38.460 -0.526 0.000 0.989 621 Y HN 0.333 nan 8.280 nan 0.000 0.527 622 A N -0.064 122.846 122.820 0.150 0.000 1.933 622 A HA -0.161 4.158 4.320 -0.000 0.000 0.218 622 A C 1.859 179.512 177.584 0.114 0.000 1.175 622 A CA 1.895 54.009 52.037 0.128 0.000 0.628 622 A CB -0.612 18.435 19.000 0.079 0.000 0.814 622 A HN 0.332 nan 8.150 nan 0.000 0.444 623 D N -0.072 120.392 120.400 0.107 0.000 2.264 623 D HA -0.048 4.592 4.640 -0.000 0.000 0.208 623 D C 1.604 177.966 176.300 0.104 0.000 0.966 623 D CA 0.750 54.815 54.000 0.108 0.000 0.864 623 D CB -0.163 40.726 40.800 0.148 0.000 0.933 623 D HN 0.487 nan 8.370 nan 0.000 0.499 624 L N -1.039 120.252 121.223 0.113 0.000 2.509 624 L HA 0.220 4.560 4.340 -0.000 0.000 0.222 624 L C 1.555 178.449 176.870 0.040 0.000 1.123 624 L CA 0.507 55.397 54.840 0.084 0.000 0.856 624 L CB 0.184 42.294 42.059 0.085 0.000 0.985 624 L HN 0.132 nan 8.230 nan 0.000 0.456 625 G N -0.858 107.982 108.800 0.066 0.000 2.192 625 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.193 625 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.193 625 G C 0.102 174.989 174.900 -0.022 0.000 0.999 625 G CA -0.668 44.429 45.100 -0.005 0.000 0.659 625 G HN 0.063 nan 8.290 nan 0.000 0.503 626 F N 1.607 121.511 119.950 -0.076 0.000 2.440 626 F HA 0.489 5.016 4.527 -0.000 0.000 0.323 626 F C 0.681 176.476 175.800 -0.008 0.000 1.192 626 F CA -0.345 57.615 58.000 -0.066 0.000 1.252 626 F CB 0.510 39.488 39.000 -0.037 0.000 1.214 626 F HN -0.116 nan 8.300 nan 0.000 0.578 627 D N 1.279 121.798 120.400 0.198 0.000 2.359 627 D HA 0.344 4.984 4.640 -0.000 0.000 0.230 627 D C -0.784 175.602 176.300 0.145 0.000 1.118 627 D CA 0.039 54.117 54.000 0.129 0.000 0.844 627 D CB 1.386 42.240 40.800 0.091 0.000 1.059 627 D HN 0.034 nan 8.370 nan 0.000 0.493 628 V N 3.295 123.274 119.914 0.108 0.000 2.435 628 V HA 0.250 4.370 4.120 -0.000 0.000 0.290 628 V C 0.067 176.178 176.094 0.028 0.000 1.030 628 V CA -0.810 61.530 62.300 0.067 0.000 0.881 628 V CB 2.049 33.899 31.823 0.044 0.000 0.983 628 V HN 0.346 nan 8.190 nan 0.000 0.445 629 D N 3.507 123.914 120.400 0.012 0.000 2.349 629 D HA 0.330 4.970 4.640 -0.000 0.000 0.232 629 D C -0.573 175.713 176.300 -0.022 0.000 1.071 629 D CA -0.180 53.819 54.000 -0.002 0.000 0.832 629 D CB 2.483 43.282 40.800 -0.001 0.000 1.086 629 D HN 0.246 nan 8.370 nan 0.000 0.504 630 V N 2.596 122.495 119.914 -0.026 0.000 2.368 630 V HA 0.309 4.429 4.120 -0.000 0.000 0.266 630 V C 1.190 177.261 176.094 -0.039 0.000 1.045 630 V CA -0.571 61.704 62.300 -0.041 0.000 0.899 630 V CB 1.093 32.893 31.823 -0.040 0.000 1.006 630 V HN 0.548 nan 8.190 nan 0.000 0.470 631 G N 7.101 115.875 108.800 -0.043 0.000 2.544 631 G HA2 0.437 4.397 3.960 -0.000 0.000 0.242 631 G HA3 0.437 4.397 3.960 -0.000 0.000 0.242 631 G C -2.387 172.479 174.900 -0.056 0.000 1.247 631 G CA -0.790 44.286 45.100 -0.041 0.000 0.840 631 G HN 0.560 nan 8.290 nan 0.000 0.578 632 P HA 0.210 nan 4.420 nan 0.000 0.274 632 P C 0.236 177.454 177.300 -0.136 0.000 1.237 632 P CA -0.471 62.584 63.100 -0.075 0.000 0.793 632 P CB 1.076 32.752 31.700 -0.039 0.000 0.977 633 L N 1.774 122.840 121.223 -0.262 0.000 2.476 633 L HA 0.190 4.530 4.340 -0.000 0.000 0.255 633 L C 0.873 177.473 176.870 -0.451 0.000 1.218 633 L CA -0.153 54.363 54.840 -0.540 0.000 0.819 633 L CB -0.654 40.707 42.059 -1.162 0.000 1.119 633 L HN 0.463 nan 8.230 nan 0.000 0.485 634 F N -1.504 118.460 119.950 0.023 0.000 3.084 634 F HA -0.275 4.252 4.527 -0.000 0.000 0.286 634 F C 0.667 176.473 175.800 0.010 0.000 0.855 634 F CA -0.034 57.977 58.000 0.018 0.000 1.091 634 F CB -1.897 37.123 39.000 0.033 0.000 1.177 634 F HN 0.542 nan 8.300 nan 0.000 0.542 635 Q N 0.995 120.854 119.800 0.098 0.000 2.340 635 Q HA 0.348 4.688 4.340 -0.000 0.000 0.249 635 Q C 0.922 176.954 176.000 0.053 0.000 0.957 635 Q CA 0.348 56.190 55.803 0.064 0.000 0.882 635 Q CB 1.347 30.101 28.738 0.028 0.000 1.235 635 Q HN 0.367 nan 8.270 nan 0.000 0.439 636 T N -1.274 113.301 114.554 0.036 0.000 2.816 636 T HA 0.194 4.544 4.350 -0.000 0.000 0.282 636 T C -1.958 172.753 174.700 0.019 0.000 0.993 636 T CA -1.760 60.352 62.100 0.019 0.000 0.994 636 T CB 0.650 69.521 68.868 0.005 0.000 1.025 636 T HN 0.293 nan 8.240 nan 0.000 0.529 637 P HA -0.050 nan 4.420 nan 0.000 0.216 637 P C 1.156 178.464 177.300 0.012 0.000 1.150 637 P CA 1.020 64.129 63.100 0.015 0.000 0.837 637 P CB 0.039 31.748 31.700 0.015 0.000 0.786 638 E N 0.083 120.288 120.200 0.010 0.000 2.072 638 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 638 E C 1.981 178.587 176.600 0.010 0.000 0.985 638 E CA 1.223 57.628 56.400 0.009 0.000 0.801 638 E CB -0.836 28.868 29.700 0.006 0.000 0.750 638 E HN 0.412 nan 8.360 nan 0.000 0.452 639 E N -0.207 120.000 120.200 0.012 0.000 2.072 639 E HA -0.111 4.239 4.350 -0.000 0.000 0.191 639 E C 1.948 178.554 176.600 0.011 0.000 0.985 639 E CA 1.534 57.942 56.400 0.013 0.000 0.801 639 E CB -0.079 29.632 29.700 0.019 0.000 0.750 639 E HN 0.168 nan 8.360 nan 0.000 0.452 640 T N 0.796 115.357 114.554 0.011 0.000 2.746 640 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 640 T C 1.989 176.694 174.700 0.008 0.000 1.039 640 T CA 1.144 63.249 62.100 0.008 0.000 1.142 640 T CB -0.240 68.634 68.868 0.010 0.000 0.866 640 T HN 0.249 nan 8.240 nan 0.000 0.444 641 A N 1.853 124.679 122.820 0.010 0.000 1.877 641 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 641 A C 2.299 179.888 177.584 0.008 0.000 1.186 641 A CA 1.918 53.961 52.037 0.010 0.000 0.620 641 A CB -0.628 18.379 19.000 0.011 0.000 0.822 641 A HN 0.444 nan 8.150 nan 0.000 0.443 642 R N -0.581 119.923 120.500 0.007 0.000 2.073 642 R HA -0.204 4.136 4.340 -0.000 0.000 0.234 642 R C 2.437 178.739 176.300 0.004 0.000 1.134 642 R CA 1.913 58.016 56.100 0.006 0.000 0.952 642 R CB -0.380 29.924 30.300 0.007 0.000 0.850 642 R HN 0.705 nan 8.270 nan 0.000 0.433 643 Q N -0.237 119.565 119.800 0.004 0.000 2.084 643 Q HA -0.164 4.176 4.340 -0.000 0.000 0.202 643 Q C 1.957 177.957 176.000 -0.001 0.000 0.978 643 Q CA 1.774 57.577 55.803 0.001 0.000 0.844 643 Q CB -0.153 28.585 28.738 -0.000 0.000 0.898 643 Q HN 0.498 nan 8.270 nan 0.000 0.426 644 A N -0.133 122.687 122.820 0.001 0.000 1.908 644 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 644 A C 2.204 179.785 177.584 -0.006 0.000 1.181 644 A CA 1.642 53.678 52.037 -0.001 0.000 0.627 644 A CB -0.799 18.205 19.000 0.006 0.000 0.818 644 A HN 0.313 nan 8.150 nan 0.000 0.445 645 V N -0.074 119.839 119.914 -0.002 0.000 2.295 645 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 645 V C 2.425 178.515 176.094 -0.007 0.000 1.049 645 V CA 2.283 64.581 62.300 -0.004 0.000 1.024 645 V CB -0.829 30.995 31.823 0.002 0.000 0.648 645 V HN 0.631 nan 8.190 nan 0.000 0.447 646 E N -0.025 120.172 120.200 -0.005 0.000 2.110 646 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 646 E C 2.119 178.714 176.600 -0.009 0.000 0.988 646 E CA 1.312 57.710 56.400 -0.005 0.000 0.804 646 E CB -0.221 29.478 29.700 -0.002 0.000 0.745 646 E HN 0.599 nan 8.360 nan 0.000 0.458 647 A N 0.733 123.546 122.820 -0.012 0.000 2.178 647 A HA -0.042 4.278 4.320 -0.000 0.000 0.211 647 A C 0.413 177.978 177.584 -0.033 0.000 1.157 647 A CA 0.443 52.470 52.037 -0.016 0.000 0.780 647 A CB 0.263 19.256 19.000 -0.011 0.000 0.828 647 A HN 0.224 nan 8.150 nan 0.000 0.476 648 D N -0.490 119.885 120.400 -0.042 0.000 2.705 648 D HA -0.128 4.512 4.640 -0.000 0.000 0.240 648 D C 0.202 176.413 176.300 -0.149 0.000 1.137 648 D CA 0.896 54.852 54.000 -0.074 0.000 0.677 648 D CB -1.905 38.857 40.800 -0.062 0.000 1.049 648 D HN 0.819 nan 8.370 nan 0.000 0.427 649 V N -1.838 118.010 119.914 -0.111 0.000 3.083 649 V HA 0.407 4.527 4.120 -0.000 0.000 0.306 649 V C 1.608 177.597 176.094 -0.175 0.000 1.077 649 V CA 0.135 62.357 62.300 -0.129 0.000 1.073 649 V CB 1.292 33.103 31.823 -0.021 0.000 1.081 649 V HN 0.258 nan 8.190 nan 0.000 0.474 650 H N 1.411 120.536 119.070 0.091 0.000 2.497 650 H HA 0.507 5.063 4.556 -0.000 0.000 0.282 650 H C 0.515 175.899 175.328 0.094 0.000 1.003 650 H CA 1.297 57.412 56.048 0.112 0.000 1.307 650 H CB 0.957 30.809 29.762 0.149 0.000 1.437 650 H HN 0.530 nan 8.280 nan 0.000 0.544 651 V N 0.378 120.403 119.914 0.185 0.000 3.048 651 V HA 0.359 4.479 4.120 -0.000 0.000 0.303 651 V C -1.483 174.659 176.094 0.080 0.000 1.214 651 V CA -0.955 61.423 62.300 0.130 0.000 0.984 651 V CB 2.353 34.268 31.823 0.154 0.000 1.054 651 V HN -0.145 nan 8.190 nan 0.000 0.430 652 V N 5.263 125.211 119.914 0.056 0.000 2.333 652 V HA 0.636 4.756 4.120 -0.000 0.000 0.274 652 V C 0.882 176.991 176.094 0.025 0.000 1.028 652 V CA 0.251 62.569 62.300 0.030 0.000 0.851 652 V CB 1.111 32.948 31.823 0.023 0.000 1.000 652 V HN 1.088 nan 8.190 nan 0.000 0.456 653 G N 4.336 113.136 108.800 0.000 0.000 2.475 653 G HA2 0.479 4.439 3.960 -0.000 0.000 0.322 653 G HA3 0.479 4.439 3.960 -0.000 0.000 0.322 653 G C -0.401 174.482 174.900 -0.028 0.000 1.044 653 G CA -0.287 44.804 45.100 -0.015 0.000 1.047 653 G HN 0.516 nan 8.290 nan 0.000 0.436 654 V N 2.024 121.936 119.914 -0.004 0.000 2.508 654 V HA 0.319 4.439 4.120 -0.000 0.000 0.281 654 V C 0.715 176.803 176.094 -0.010 0.000 1.041 654 V CA -0.154 62.144 62.300 -0.003 0.000 1.016 654 V CB 1.471 33.302 31.823 0.014 0.000 0.984 654 V HN 0.629 nan 8.190 nan 0.000 0.478 655 S N 4.000 119.689 115.700 -0.018 0.000 2.448 655 S HA 0.481 4.951 4.470 -0.000 0.000 0.320 655 S C -0.271 174.333 174.600 0.007 0.000 1.071 655 S CA -0.370 57.817 58.200 -0.021 0.000 1.113 655 S CB 0.840 64.015 63.200 -0.042 0.000 0.972 655 S HN 0.836 nan 8.310 nan 0.000 0.465 656 S N 4.748 120.453 115.700 0.009 0.000 2.659 656 S HA 0.611 5.081 4.470 -0.000 0.000 0.312 656 S C -0.244 174.366 174.600 0.016 0.000 1.114 656 S CA -0.640 57.586 58.200 0.043 0.000 1.063 656 S CB 0.686 63.935 63.200 0.082 0.000 0.996 656 S HN 0.699 nan 8.310 nan 0.000 0.478 657 L N 4.299 125.529 121.223 0.012 0.000 2.966 657 L HA 0.514 4.854 4.340 -0.000 0.000 0.262 657 L C 1.821 178.669 176.870 -0.037 0.000 1.165 657 L CA 0.464 55.230 54.840 -0.122 0.000 0.978 657 L CB 0.287 42.060 42.059 -0.478 0.000 1.337 657 L HN 0.752 nan 8.230 nan 0.000 0.563 658 A N -0.441 122.462 122.820 0.138 0.000 2.307 658 A HA 0.533 4.853 4.320 -0.000 0.000 0.218 658 A C 1.721 179.402 177.584 0.162 0.000 1.228 658 A CA 0.554 52.709 52.037 0.196 0.000 0.857 658 A CB -0.503 18.633 19.000 0.227 0.000 0.897 658 A HN 0.436 nan 8.150 nan 0.000 0.495 659 G N -1.849 107.064 108.800 0.188 0.000 2.159 659 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.256 659 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.256 659 G C 1.007 175.937 174.900 0.051 0.000 0.977 659 G CA 0.340 45.550 45.100 0.185 0.000 0.652 659 G HN 1.352 nan 8.290 nan 0.000 0.531 660 G N 0.150 108.997 108.800 0.078 0.000 3.189 660 G HA2 0.330 4.290 3.960 -0.000 0.000 0.225 660 G HA3 0.330 4.290 3.960 -0.000 0.000 0.225 660 G C 1.237 176.111 174.900 -0.043 0.000 1.159 660 G CA 1.053 46.146 45.100 -0.011 0.000 0.763 660 G HN 0.872 nan 8.290 nan 0.000 0.549 661 H N 0.590 119.682 119.070 0.036 0.000 2.390 661 H HA -0.055 4.501 4.556 -0.000 0.000 0.298 661 H C 1.931 177.275 175.328 0.028 0.000 1.106 661 H CA 0.783 56.849 56.048 0.031 0.000 1.297 661 H CB -0.556 29.226 29.762 0.033 0.000 1.375 661 H HN 0.364 nan 8.280 nan 0.000 0.509 662 L N 1.533 122.567 121.223 -0.314 0.000 2.465 662 L HA -0.051 4.289 4.340 -0.000 0.000 0.224 662 L C 2.352 179.189 176.870 -0.056 0.000 1.145 662 L CA 1.359 56.128 54.840 -0.118 0.000 0.834 662 L CB -0.283 41.690 42.059 -0.142 0.000 0.944 662 L HN 0.472 nan 8.230 nan 0.000 0.451 663 T N -4.195 110.327 114.554 -0.053 0.000 3.018 663 T HA 0.148 4.498 4.350 -0.000 0.000 0.246 663 T C 1.745 176.444 174.700 -0.002 0.000 1.026 663 T CA -0.066 62.020 62.100 -0.024 0.000 1.081 663 T CB -0.143 68.709 68.868 -0.027 0.000 0.970 663 T HN 0.113 nan 8.240 nan 0.000 0.475 664 L N 1.134 122.362 121.223 0.009 0.000 2.044 664 L HA 0.054 4.394 4.340 -0.000 0.000 0.205 664 L C 2.842 179.732 176.870 0.033 0.000 1.075 664 L CA 0.603 55.459 54.840 0.025 0.000 0.747 664 L CB -0.774 41.309 42.059 0.040 0.000 0.903 664 L HN 0.087 nan 8.230 nan 0.000 0.435 665 V N 0.656 120.598 119.914 0.047 0.000 2.233 665 V HA -0.186 3.934 4.120 -0.000 0.000 0.247 665 V C -0.108 176.005 176.094 0.031 0.000 1.050 665 V CA 2.330 64.657 62.300 0.045 0.000 1.010 665 V CB -1.830 30.031 31.823 0.063 0.000 0.637 665 V HN 0.359 nan 8.190 nan 0.000 0.444 666 P HA -0.153 nan 4.420 nan 0.000 0.216 666 P C 1.587 178.896 177.300 0.015 0.000 1.150 666 P CA 2.237 65.349 63.100 0.019 0.000 0.837 666 P CB -0.133 31.577 31.700 0.016 0.000 0.786 667 A N 0.136 122.965 122.820 0.014 0.000 1.933 667 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 667 A C 2.380 179.972 177.584 0.013 0.000 1.175 667 A CA 1.101 53.145 52.037 0.011 0.000 0.628 667 A CB -1.602 17.403 19.000 0.008 0.000 0.814 667 A HN 0.145 nan 8.150 nan 0.000 0.444 668 L N -1.143 120.090 121.223 0.017 0.000 2.027 668 L HA -0.179 4.161 4.340 -0.000 0.000 0.206 668 L C 2.756 179.637 176.870 0.017 0.000 1.074 668 L CA 2.039 56.889 54.840 0.018 0.000 0.745 668 L CB -0.345 41.726 42.059 0.021 0.000 0.898 668 L HN 0.418 nan 8.230 nan 0.000 0.433 669 R N 0.725 121.236 120.500 0.018 0.000 2.080 669 R HA -0.210 4.130 4.340 -0.000 0.000 0.236 669 R C 2.210 178.520 176.300 0.016 0.000 1.137 669 R CA 1.924 58.035 56.100 0.018 0.000 0.943 669 R CB -0.281 30.030 30.300 0.018 0.000 0.846 669 R HN 0.288 nan 8.270 nan 0.000 0.431 670 K N -0.430 119.978 120.400 0.014 0.000 2.097 670 K HA -0.159 4.161 4.320 -0.000 0.000 0.206 670 K C 2.088 178.695 176.600 0.011 0.000 1.049 670 K CA 1.576 57.870 56.287 0.012 0.000 0.933 670 K CB -0.134 32.372 32.500 0.010 0.000 0.717 670 K HN 0.144 nan 8.250 nan 0.000 0.442 671 E N 1.353 121.560 120.200 0.011 0.000 2.072 671 E HA -0.093 4.257 4.350 -0.000 0.000 0.191 671 E C 1.801 178.408 176.600 0.012 0.000 0.985 671 E CA 0.909 57.315 56.400 0.011 0.000 0.801 671 E CB -0.105 29.601 29.700 0.010 0.000 0.750 671 E HN 0.168 nan 8.360 nan 0.000 0.452 672 L N 0.594 121.825 121.223 0.014 0.000 2.017 672 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 672 L C 1.943 178.823 176.870 0.016 0.000 1.073 672 L CA 1.529 56.378 54.840 0.016 0.000 0.745 672 L CB -0.480 41.590 42.059 0.020 0.000 0.894 672 L HN 0.173 nan 8.230 nan 0.000 0.432 673 D N 0.053 120.462 120.400 0.016 0.000 2.117 673 D HA -0.223 4.417 4.640 -0.000 0.000 0.197 673 D C 2.053 178.360 176.300 0.012 0.000 0.987 673 D CA 1.267 55.276 54.000 0.015 0.000 0.829 673 D CB -0.130 40.679 40.800 0.014 0.000 0.961 673 D HN 0.221 nan 8.370 nan 0.000 0.460 674 K N 0.549 120.955 120.400 0.011 0.000 2.209 674 K HA -0.048 4.272 4.320 -0.000 0.000 0.204 674 K C 1.600 178.205 176.600 0.009 0.000 1.048 674 K CA 0.744 57.037 56.287 0.009 0.000 0.940 674 K CB -0.085 32.420 32.500 0.008 0.000 0.729 674 K HN 0.125 nan 8.250 nan 0.000 0.451 675 L N 0.078 121.306 121.223 0.010 0.000 2.611 675 L HA 0.222 4.562 4.340 -0.000 0.000 0.229 675 L C 0.784 177.660 176.870 0.010 0.000 1.137 675 L CA 0.274 55.119 54.840 0.009 0.000 0.901 675 L CB 0.104 42.168 42.059 0.009 0.000 1.098 675 L HN 0.557 nan 8.230 nan 0.000 0.456 676 G N 0.970 109.777 108.800 0.011 0.000 2.160 676 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.244 676 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.244 676 G C 0.074 174.983 174.900 0.014 0.000 1.022 676 G CA -0.260 44.847 45.100 0.012 0.000 0.741 676 G HN 0.233 nan 8.290 nan 0.000 0.508 677 R N -0.316 120.194 120.500 0.016 0.000 2.564 677 R HA 0.315 4.654 4.340 -0.000 0.000 0.282 677 R C -1.803 174.513 176.300 0.025 0.000 1.573 677 R CA -1.748 54.364 56.100 0.021 0.000 1.588 677 R CB 1.383 31.694 30.300 0.019 0.000 1.154 677 R HN 0.276 nan 8.270 nan 0.000 0.606 678 P HA -0.062 nan 4.420 nan 0.000 0.235 678 P C 0.492 177.814 177.300 0.037 0.000 1.177 678 P CA 0.655 63.772 63.100 0.028 0.000 0.785 678 P CB 0.413 32.127 31.700 0.024 0.000 0.885 679 D N 0.463 120.889 120.400 0.044 0.000 2.219 679 D HA -0.093 4.547 4.640 -0.000 0.000 0.205 679 D C 0.903 177.249 176.300 0.077 0.000 0.970 679 D CA 0.315 54.351 54.000 0.060 0.000 0.851 679 D CB -0.692 40.146 40.800 0.063 0.000 0.943 679 D HN 0.219 nan 8.370 nan 0.000 0.488 680 I N 1.861 122.470 120.570 0.065 0.000 2.517 680 I HA 0.028 4.198 4.170 -0.000 0.000 0.285 680 I C 0.724 176.883 176.117 0.070 0.000 1.106 680 I CA -0.288 61.055 61.300 0.073 0.000 1.402 680 I CB 0.739 38.768 38.000 0.047 0.000 1.399 680 I HN -0.106 nan 8.210 nan 0.000 0.535 681 L N 7.249 128.526 121.223 0.090 0.000 2.439 681 L HA 0.508 4.848 4.340 -0.000 0.000 0.259 681 L C -0.136 176.772 176.870 0.064 0.000 1.129 681 L CA -0.623 54.262 54.840 0.075 0.000 0.803 681 L CB 1.075 43.188 42.059 0.090 0.000 1.161 681 L HN 0.469 nan 8.230 nan 0.000 0.462 682 I N 0.526 121.124 120.570 0.046 0.000 2.465 682 I HA 0.328 4.498 4.170 -0.000 0.000 0.291 682 I C -0.185 175.947 176.117 0.026 0.000 1.014 682 I CA -0.299 61.022 61.300 0.035 0.000 1.093 682 I CB 2.209 40.223 38.000 0.023 0.000 1.267 682 I HN 0.620 nan 8.210 nan 0.000 0.431 683 T N 2.769 117.345 114.554 0.036 0.000 2.912 683 T HA 0.796 5.146 4.350 -0.000 0.000 0.288 683 T C -0.658 174.050 174.700 0.012 0.000 1.030 683 T CA -0.791 61.328 62.100 0.030 0.000 1.020 683 T CB 2.087 71.048 68.868 0.154 0.000 1.056 683 T HN 0.193 nan 8.240 nan 0.000 0.480 684 V N 1.262 121.149 119.914 -0.046 0.000 2.531 684 V HA 0.846 4.966 4.120 -0.000 0.000 0.301 684 V C 0.544 176.616 176.094 -0.036 0.000 1.034 684 V CA -0.499 61.774 62.300 -0.044 0.000 0.865 684 V CB 1.557 33.337 31.823 -0.072 0.000 0.995 684 V HN 1.341 nan 8.190 nan 0.000 0.424 685 G N 1.497 110.304 108.800 0.012 0.000 2.605 685 G HA2 0.897 4.857 3.960 -0.000 0.000 0.296 685 G HA3 0.897 4.857 3.960 -0.000 0.000 0.296 685 G C -0.158 174.731 174.900 -0.019 0.000 1.304 685 G CA -0.067 45.059 45.100 0.042 0.000 0.941 685 G HN 1.481 nan 8.290 nan 0.000 0.475 686 G N -1.875 106.916 108.800 -0.016 0.000 2.306 686 G HA2 0.215 4.175 3.960 -0.000 0.000 0.262 686 G HA3 0.215 4.175 3.960 -0.000 0.000 0.262 686 G C -1.030 173.842 174.900 -0.047 0.000 1.263 686 G CA -0.109 44.967 45.100 -0.040 0.000 1.088 686 G HN 1.417 nan 8.290 nan 0.000 0.489 687 V N 1.103 120.977 119.914 -0.067 0.000 2.339 687 V HA 0.557 4.677 4.120 -0.000 0.000 0.261 687 V C 0.140 176.181 176.094 -0.089 0.000 1.058 687 V CA 0.248 62.517 62.300 -0.051 0.000 0.897 687 V CB 0.083 31.876 31.823 -0.050 0.000 1.052 687 V HN 0.538 nan 8.190 nan 0.000 0.480 688 I N 7.375 127.902 120.570 -0.072 0.000 2.497 688 I HA 0.383 4.553 4.170 -0.000 0.000 0.284 688 I C -2.477 173.690 176.117 0.083 0.000 1.060 688 I CA -1.838 59.393 61.300 -0.115 0.000 1.071 688 I CB 2.359 40.284 38.000 -0.125 0.000 1.216 688 I HN 0.400 nan 8.210 nan 0.000 0.442 689 P HA -0.010 nan 4.420 nan 0.000 0.267 689 P C 0.969 178.081 177.300 -0.313 0.000 1.200 689 P CA 0.072 63.128 63.100 -0.074 0.000 0.772 689 P CB 0.900 32.581 31.700 -0.032 0.000 0.855 690 E N 1.493 121.346 120.200 -0.578 0.000 2.130 690 E HA -0.282 4.068 4.350 -0.000 0.000 0.196 690 E C 1.606 177.760 176.600 -0.743 0.000 0.998 690 E CA 1.690 57.412 56.400 -1.129 0.000 0.806 690 E CB -0.827 28.496 29.700 -0.628 0.000 0.738 690 E HN 0.529 nan 8.360 nan 0.000 0.459 691 Q N 0.121 119.724 119.800 -0.329 0.000 2.364 691 Q HA -0.077 4.263 4.340 -0.000 0.000 0.209 691 Q C 1.475 177.441 176.000 -0.057 0.000 0.977 691 Q CA 1.594 57.304 55.803 -0.154 0.000 0.885 691 Q CB -0.027 28.657 28.738 -0.090 0.000 0.941 691 Q HN 0.416 nan 8.270 nan 0.000 0.464 692 D N -1.391 119.015 120.400 0.010 0.000 2.360 692 D HA 0.027 4.667 4.640 -0.000 0.000 0.210 692 D C 0.714 177.176 176.300 0.269 0.000 1.047 692 D CA 0.088 54.182 54.000 0.157 0.000 0.854 692 D CB 0.117 41.089 40.800 0.287 0.000 0.936 692 D HN 0.095 nan 8.370 nan 0.000 0.514 693 F N 1.751 121.707 119.950 0.010 0.000 2.069 693 F HA -0.144 4.383 4.527 -0.000 0.000 0.298 693 F C 2.053 177.851 175.800 -0.004 0.000 1.113 693 F CA 0.789 58.783 58.000 -0.011 0.000 1.214 693 F CB -0.956 38.029 39.000 -0.026 0.000 0.978 693 F HN -0.025 nan 8.300 nan 0.000 0.474 694 D N 0.004 120.524 120.400 0.200 0.000 2.104 694 D HA -0.208 4.432 4.640 -0.000 0.000 0.194 694 D C 2.235 178.583 176.300 0.081 0.000 0.994 694 D CA 1.470 55.534 54.000 0.106 0.000 0.830 694 D CB -0.474 40.369 40.800 0.071 0.000 0.959 694 D HN 0.405 nan 8.370 nan 0.000 0.452 695 E N 0.164 120.415 120.200 0.084 0.000 2.077 695 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 695 E C 2.418 179.062 176.600 0.072 0.000 0.989 695 E CA 0.363 56.803 56.400 0.068 0.000 0.800 695 E CB -0.050 29.689 29.700 0.066 0.000 0.746 695 E HN 0.200 nan 8.360 nan 0.000 0.452 696 L N 0.341 121.624 121.223 0.100 0.000 2.017 696 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 696 L C 2.785 179.670 176.870 0.026 0.000 1.073 696 L CA 1.260 56.144 54.840 0.074 0.000 0.745 696 L CB -0.344 41.760 42.059 0.076 0.000 0.894 696 L HN 0.145 nan 8.230 nan 0.000 0.432 697 R N -0.379 120.130 120.500 0.015 0.000 2.091 697 R HA -0.200 4.140 4.340 -0.000 0.000 0.238 697 R C 2.500 178.804 176.300 0.008 0.000 1.136 697 R CA 1.698 57.794 56.100 -0.006 0.000 0.959 697 R CB -0.445 29.852 30.300 -0.005 0.000 0.856 697 R HN 0.116 nan 8.270 nan 0.000 0.437 698 K N 1.050 121.462 120.400 0.021 0.000 2.147 698 K HA -0.130 4.190 4.320 -0.000 0.000 0.205 698 K C 1.222 177.833 176.600 0.019 0.000 1.049 698 K CA 1.823 58.121 56.287 0.020 0.000 0.936 698 K CB -0.395 32.120 32.500 0.024 0.000 0.722 698 K HN 0.217 nan 8.250 nan 0.000 0.446 699 D N -1.152 119.261 120.400 0.022 0.000 2.312 699 D HA 0.085 4.725 4.640 -0.000 0.000 0.211 699 D C 1.330 177.640 176.300 0.017 0.000 0.964 699 D CA 1.440 55.453 54.000 0.022 0.000 0.877 699 D CB 0.391 41.210 40.800 0.032 0.000 0.924 699 D HN 0.624 nan 8.370 nan 0.000 0.515 700 G N -0.691 108.116 108.800 0.011 0.000 2.425 700 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.177 700 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.177 700 G C 0.359 175.259 174.900 -0.001 0.000 0.999 700 G CA 0.016 45.122 45.100 0.009 0.000 0.723 700 G HN 0.478 nan 8.290 nan 0.000 0.491 701 A N 1.137 123.949 122.820 -0.014 0.000 2.444 701 A HA 0.630 4.950 4.320 -0.000 0.000 0.273 701 A C 1.664 179.211 177.584 -0.062 0.000 1.136 701 A CA 0.603 52.614 52.037 -0.045 0.000 0.799 701 A CB 0.613 19.568 19.000 -0.074 0.000 1.081 701 A HN 1.537 nan 8.150 nan 0.000 0.509 702 V N -0.557 119.324 119.914 -0.054 0.000 3.354 702 V HA 0.255 4.374 4.120 -0.000 0.000 0.258 702 V C 0.284 176.312 176.094 -0.111 0.000 1.159 702 V CA 0.702 62.970 62.300 -0.054 0.000 1.125 702 V CB -0.546 31.272 31.823 -0.009 0.000 0.774 702 V HN 0.682 nan 8.190 nan 0.000 0.464 703 E N 0.162 120.244 120.200 -0.196 0.000 2.343 703 E HA 0.614 4.964 4.350 -0.000 0.000 0.278 703 E C -1.504 174.739 176.600 -0.596 0.000 0.910 703 E CA -0.472 55.685 56.400 -0.405 0.000 0.757 703 E CB 3.090 32.527 29.700 -0.438 0.000 1.218 703 E HN 0.300 nan 8.360 nan 0.000 0.435 704 I N 2.446 122.552 120.570 -0.774 0.000 2.439 704 I HA 0.299 4.469 4.170 -0.000 0.000 0.285 704 I C -1.260 174.410 176.117 -0.744 0.000 1.021 704 I CA -0.661 60.214 61.300 -0.709 0.000 1.091 704 I CB 1.034 38.538 38.000 -0.827 0.000 1.242 704 I HN 0.366 nan 8.210 nan 0.000 0.439 705 Y N 4.426 124.615 120.300 -0.185 0.000 2.345 705 Y HA 0.441 4.991 4.550 -0.000 0.000 0.331 705 Y C 0.797 176.641 175.900 -0.094 0.000 0.959 705 Y CA -0.850 57.179 58.100 -0.118 0.000 1.204 705 Y CB 1.738 40.145 38.460 -0.088 0.000 1.135 705 Y HN 0.512 nan 8.280 nan 0.000 0.477 706 T N 0.099 114.696 114.554 0.071 0.000 2.910 706 T HA 0.549 4.899 4.350 -0.000 0.000 0.279 706 T C -2.789 171.947 174.700 0.059 0.000 0.989 706 T CA -2.859 59.280 62.100 0.065 0.000 0.968 706 T CB 1.238 70.177 68.868 0.118 0.000 1.135 706 T HN 0.148 nan 8.240 nan 0.000 0.562 707 P HA 0.267 nan 4.420 nan 0.000 0.263 707 P C 1.094 178.404 177.300 0.015 0.000 1.175 707 P CA 1.306 64.413 63.100 0.012 0.000 0.761 707 P CB -0.025 31.667 31.700 -0.012 0.000 0.794 708 G N 1.465 110.269 108.800 0.008 0.000 2.254 708 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.225 708 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.225 708 G C 0.347 175.269 174.900 0.036 0.000 1.003 708 G CA 0.043 45.151 45.100 0.012 0.000 0.622 708 G HN 0.642 nan 8.290 nan 0.000 0.507 709 T N 1.923 116.507 114.554 0.049 0.000 2.849 709 T HA 0.332 4.682 4.350 -0.000 0.000 0.289 709 T C 0.780 175.499 174.700 0.032 0.000 1.010 709 T CA 0.556 62.689 62.100 0.055 0.000 1.161 709 T CB 1.446 70.345 68.868 0.052 0.000 0.989 709 T HN 0.587 nan 8.240 nan 0.000 0.523 710 V N 6.423 126.363 119.914 0.043 0.000 2.488 710 V HA 0.126 4.246 4.120 -0.000 0.000 0.277 710 V C 1.765 177.879 176.094 0.033 0.000 1.046 710 V CA -0.228 62.106 62.300 0.057 0.000 0.986 710 V CB 0.712 32.575 31.823 0.065 0.000 0.989 710 V HN 0.832 nan 8.190 nan 0.000 0.475 711 I N 6.333 126.926 120.570 0.038 0.000 2.091 711 I HA -0.139 4.031 4.170 -0.000 0.000 0.239 711 I C -0.309 175.831 176.117 0.037 0.000 1.061 711 I CA 1.699 62.994 61.300 -0.007 0.000 1.317 711 I CB -1.201 36.707 38.000 -0.152 0.000 1.031 711 I HN 0.568 nan 8.210 nan 0.000 0.401 712 P HA -0.150 nan 4.420 nan 0.000 0.218 712 P C 1.240 178.557 177.300 0.029 0.000 1.149 712 P CA 1.485 64.614 63.100 0.048 0.000 0.817 712 P CB -0.098 31.657 31.700 0.092 0.000 0.785 713 E N 0.123 120.347 120.200 0.040 0.000 2.072 713 E HA -0.132 4.218 4.350 -0.000 0.000 0.191 713 E C 2.249 178.877 176.600 0.045 0.000 0.985 713 E CA 1.689 58.117 56.400 0.046 0.000 0.801 713 E CB -0.448 29.286 29.700 0.058 0.000 0.750 713 E HN 0.338 nan 8.360 nan 0.000 0.452 714 S N 1.100 116.797 115.700 -0.004 0.000 2.383 714 S HA -0.085 4.385 4.470 -0.000 0.000 0.227 714 S C 2.266 176.849 174.600 -0.028 0.000 1.026 714 S CA 0.881 59.023 58.200 -0.096 0.000 0.981 714 S CB -0.163 62.726 63.200 -0.519 0.000 0.818 714 S HN 0.264 nan 8.310 nan 0.000 0.472 715 A N 1.976 124.760 122.820 -0.060 0.000 1.902 715 A HA 0.102 4.422 4.320 -0.000 0.000 0.217 715 A C 2.232 179.832 177.584 0.027 0.000 1.181 715 A CA 1.431 53.387 52.037 -0.135 0.000 0.623 715 A CB -0.850 17.941 19.000 -0.348 0.000 0.818 715 A HN 0.600 nan 8.150 nan 0.000 0.443 716 I N 0.690 121.274 120.570 0.024 0.000 2.142 716 I HA -0.279 3.891 4.170 -0.000 0.000 0.240 716 I C 2.922 179.078 176.117 0.066 0.000 1.078 716 I CA 1.792 63.114 61.300 0.037 0.000 1.343 716 I CB -0.329 37.691 38.000 0.034 0.000 1.046 716 I HN 0.508 nan 8.210 nan 0.000 0.405 717 S N 0.937 116.695 115.700 0.096 0.000 2.402 717 S HA -0.152 4.318 4.470 -0.000 0.000 0.229 717 S C 1.962 176.647 174.600 0.142 0.000 1.021 717 S CA 0.701 58.972 58.200 0.119 0.000 0.974 717 S CB -0.734 62.556 63.200 0.149 0.000 0.800 717 S HN 0.337 nan 8.310 nan 0.000 0.484 718 L N 2.098 123.428 121.223 0.179 0.000 2.017 718 L HA 0.051 4.391 4.340 -0.000 0.000 0.208 718 L C 2.464 179.420 176.870 0.143 0.000 1.073 718 L CA 1.490 56.447 54.840 0.194 0.000 0.745 718 L CB -0.819 41.377 42.059 0.229 0.000 0.894 718 L HN 0.226 nan 8.230 nan 0.000 0.432 719 V N -0.240 119.739 119.914 0.109 0.000 2.343 719 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 719 V C 2.574 178.726 176.094 0.096 0.000 1.051 719 V CA 2.003 64.335 62.300 0.055 0.000 1.036 719 V CB -0.721 31.078 31.823 -0.039 0.000 0.654 719 V HN 0.458 nan 8.190 nan 0.000 0.451 720 K N -0.153 120.295 120.400 0.080 0.000 2.026 720 K HA -0.161 4.159 4.320 -0.000 0.000 0.208 720 K C 2.333 178.977 176.600 0.074 0.000 1.048 720 K CA 1.176 57.504 56.287 0.068 0.000 0.929 720 K CB -0.237 32.295 32.500 0.054 0.000 0.713 720 K HN 0.292 nan 8.250 nan 0.000 0.439 721 K N 1.071 121.520 120.400 0.081 0.000 2.063 721 K HA -0.119 4.201 4.320 -0.000 0.000 0.208 721 K C 2.210 178.865 176.600 0.091 0.000 1.048 721 K CA 1.149 57.482 56.287 0.077 0.000 0.928 721 K CB -0.348 32.201 32.500 0.080 0.000 0.713 721 K HN 0.181 nan 8.250 nan 0.000 0.442 722 L N 0.753 122.050 121.223 0.124 0.000 2.017 722 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 722 L C 2.667 179.628 176.870 0.153 0.000 1.073 722 L CA 1.147 56.086 54.840 0.165 0.000 0.745 722 L CB -0.310 41.876 42.059 0.210 0.000 0.894 722 L HN 0.143 nan 8.230 nan 0.000 0.432 723 R N 0.017 120.601 120.500 0.140 0.000 2.083 723 R HA -0.135 4.205 4.340 -0.000 0.000 0.237 723 R C 2.253 178.560 176.300 0.012 0.000 1.137 723 R CA 1.583 57.707 56.100 0.040 0.000 0.951 723 R CB -1.042 29.276 30.300 0.031 0.000 0.851 723 R HN 0.366 nan 8.270 nan 0.000 0.434 724 A N 0.361 123.199 122.820 0.030 0.000 1.933 724 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 724 A C 2.402 179.999 177.584 0.022 0.000 1.175 724 A CA 2.035 54.084 52.037 0.021 0.000 0.628 724 A CB -0.561 18.454 19.000 0.025 0.000 0.814 724 A HN 0.370 nan 8.150 nan 0.000 0.444 725 S N -0.786 114.937 115.700 0.038 0.000 2.371 725 S HA -0.007 4.463 4.470 -0.000 0.000 0.224 725 S C 1.907 176.526 174.600 0.031 0.000 1.029 725 S CA 1.201 59.425 58.200 0.040 0.000 0.978 725 S CB -0.392 62.845 63.200 0.062 0.000 0.833 725 S HN 0.474 nan 8.310 nan 0.000 0.466 726 L N 0.836 122.073 121.223 0.024 0.000 2.131 726 L HA 0.050 4.390 4.340 -0.000 0.000 0.206 726 L C 0.980 177.830 176.870 -0.033 0.000 1.087 726 L CA 0.932 55.770 54.840 -0.003 0.000 0.767 726 L CB -0.281 41.748 42.059 -0.050 0.000 0.917 726 L HN 0.233 nan 8.230 nan 0.000 0.441 727 D N 0.360 120.735 120.400 -0.043 0.000 2.370 727 D HA 0.240 4.880 4.640 -0.000 0.000 0.230 727 D C 0.499 176.785 176.300 -0.024 0.000 1.143 727 D CA 0.168 54.140 54.000 -0.046 0.000 0.834 727 D CB 0.236 40.999 40.800 -0.063 0.000 0.944 727 D HN 0.185 nan 8.370 nan 0.000 0.504 728 A N 0.000 122.813 122.820 -0.011 0.000 2.254 728 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 728 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 728 A CB 0.000 19.003 19.000 0.006 0.000 0.831 728 A HN 0.000 nan 8.150 nan 0.000 0.486