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 3icq_1_T DATA FIRST_RESID 2 DATA SEQUENCE SAQDVENAVE AALDPSVGPI IKQQATDFIG SLRSSSTGWK ICHEIFSEKT DATA SEQUENCE KYKPSTRLIC LQTLSEKVRE WNNESNLLEL QMIRDSVWSY IKELSFLDEP DATA SEQUENCE AYISNAVQHL LTLLFLQLYP SNWNDFFASL QGVIAASSQS EFSNFYLKVL DATA SEQUENCE LSIGDEIADS LVLKTDVQIQ KDNLVKDAIR ANDMSDIVSF VYEMMLAYSN DATA SEQUENCE AKNYGTVGLC LQVYAQWVSW ININLIVNEP CMNLLYSFLQ IEELRCAACE DATA SEQUENCE TMTEIVNKKM KPLEKLNLLN ILNLNLFFSK SXXXSTDPNF DEHVAKLINA DATA SEQUENCE QGVELVAIKS DPSELSPELK ENCSFQLYNL FPYLIRYLSD DYDETSTAVF DATA SEQUENCE PFLSDLLVSL RKESSSKELS ASLKEFLKSL LEAIIKKMKY DESQEWDDDP DATA SEQUENCE DSEEEAEFQE MRKKLKIFQD TINSIDSSLF SSYMYSAITS SLSTAATLSP DATA SEQUENCE ENSWQLIEFA LYETYIFGEG LRGPDAFFNE VDKSPTVLSQ ILALVTTSQV DATA SEQUENCE CRHPHPLVQL LYMEILVRYA SFFDYESAAI PALIEYFVGP RGIHNTNERV DATA SEQUENCE RPRAWYLFYR FVKSIKKXXV NYTESSLAML GDLLNISVSP VTDMDAPVPT DATA SEQUENCE LNSSIRNSDF NSQLYLFETV GVLISSGNLT PEEQALYCDS LINALIGKAN DATA SEQUENCE AALSSDLSAL ENIISVYCSL MAIGNFAKGF PARXXEEVAW LASFNKASDE DATA SEQUENCE IFLILDRMGF NEDIRGAVRF TSGRIINVVG PDMLPKVPQL ISILLNSIDM DATA SEQUENCE NELVDVLSFI SQLIHIYKDN MMEITNRMLP TLLMRIFSSL SAAPQGTDDA DATA SEQUENCE VKQNDLRKSY ISFILQLLNK GFGSILFTEE NQVYFDPLIN SILHFANLVX DATA SEQUENCE XPATQKSSIA LVSKMVSLWG GKDGIAGFEN FTLSLTPLCF EMPVNXXXXX DATA SEQUENCE XXXQSLVVLG ELAGLQKIIL EXXXXXXXSY LVTVYFPTVN FPDVMASEYL DATA SEQUENCE QALSNLXSRS FKQFFQKFIQ ALKS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.701 174.600 0.168 0.000 1.055 2 S CA 0.000 58.276 58.200 0.127 0.000 1.107 2 S CB 0.000 63.282 63.200 0.137 0.000 0.593 3 A N 1.118 124.017 122.820 0.133 0.000 1.841 3 A HA 0.143 4.469 4.320 0.009 0.000 0.216 3 A C 2.427 180.118 177.584 0.178 0.000 1.199 3 A CA 3.415 55.527 52.037 0.125 0.000 0.621 3 A CB -1.505 17.636 19.000 0.234 0.000 0.835 3 A HN 1.549 nan 8.150 nan 0.000 0.445 4 Q N -0.618 119.306 119.800 0.208 0.000 2.297 4 Q HA -0.241 4.105 4.340 0.009 0.000 0.208 4 Q C 1.658 177.745 176.000 0.146 0.000 0.981 4 Q CA 2.043 57.958 55.803 0.186 0.000 0.876 4 Q CB -0.911 27.903 28.738 0.127 0.000 0.921 4 Q HN 0.774 nan 8.270 nan 0.000 0.446 5 D N -0.401 120.085 120.400 0.143 0.000 2.091 5 D HA -0.073 4.573 4.640 0.009 0.000 0.199 5 D C 2.031 178.529 176.300 0.330 0.000 0.980 5 D CA 1.423 55.499 54.000 0.126 0.000 0.831 5 D CB -0.208 40.583 40.800 -0.016 0.000 0.987 5 D HN 0.350 nan 8.370 nan 0.000 0.460 6 V N 1.407 121.607 119.914 0.478 0.000 2.252 6 V HA -0.247 3.878 4.120 0.009 0.000 0.249 6 V C 2.466 178.665 176.094 0.175 0.000 1.056 6 V CA 1.855 64.366 62.300 0.352 0.000 1.022 6 V CB -0.474 31.378 31.823 0.048 0.000 0.641 6 V HN 0.257 nan 8.190 nan 0.000 0.445 7 E N -0.077 120.201 120.200 0.129 0.000 2.171 7 E HA -0.269 4.087 4.350 0.009 0.000 0.197 7 E C 2.001 178.673 176.600 0.120 0.000 0.997 7 E CA 1.560 58.033 56.400 0.121 0.000 0.810 7 E CB -0.037 29.778 29.700 0.191 0.000 0.738 7 E HN 0.647 nan 8.360 nan 0.000 0.467 8 N N 0.210 118.989 118.700 0.132 0.000 2.148 8 N HA -0.084 4.661 4.740 0.009 0.000 0.186 8 N C 1.799 177.375 175.510 0.111 0.000 1.031 8 N CA 1.113 54.225 53.050 0.102 0.000 0.848 8 N CB -0.669 37.865 38.487 0.079 0.000 1.005 8 N HN 0.146 nan 8.380 nan 0.000 0.427 9 A N 1.637 124.562 122.820 0.176 0.000 1.870 9 A HA -0.201 4.125 4.320 0.009 0.000 0.219 9 A C 2.548 180.200 177.584 0.113 0.000 1.224 9 A CA 2.375 54.533 52.037 0.201 0.000 0.650 9 A CB -1.214 18.041 19.000 0.425 0.000 0.836 9 A HN 0.105 nan 8.150 nan 0.000 0.454 10 V N -0.035 119.930 119.914 0.086 0.000 2.282 10 V HA -0.282 3.843 4.120 0.009 0.000 0.249 10 V C 3.127 179.244 176.094 0.040 0.000 1.057 10 V CA 3.064 65.389 62.300 0.040 0.000 1.032 10 V CB -1.604 30.232 31.823 0.022 0.000 0.645 10 V HN 0.841 nan 8.190 nan 0.000 0.447 11 E N -0.102 120.130 120.200 0.054 0.000 2.118 11 E HA -0.223 4.133 4.350 0.009 0.000 0.195 11 E C 2.206 178.830 176.600 0.039 0.000 0.992 11 E CA 1.908 58.336 56.400 0.046 0.000 0.804 11 E CB -0.867 28.866 29.700 0.056 0.000 0.741 11 E HN 0.739 nan 8.360 nan 0.000 0.458 12 A N 0.984 123.832 122.820 0.047 0.000 1.845 12 A HA 0.223 4.549 4.320 0.009 0.000 0.215 12 A C 2.888 180.491 177.584 0.031 0.000 1.195 12 A CA 2.735 54.796 52.037 0.040 0.000 0.616 12 A CB -0.949 18.080 19.000 0.049 0.000 0.832 12 A HN 1.114 nan 8.150 nan 0.000 0.443 13 A N -0.667 122.173 122.820 0.032 0.000 1.940 13 A HA 0.113 4.439 4.320 0.009 0.000 0.219 13 A C 2.302 179.891 177.584 0.008 0.000 1.176 13 A CA 2.376 54.425 52.037 0.020 0.000 0.631 13 A CB -1.188 17.823 19.000 0.018 0.000 0.814 13 A HN 1.325 nan 8.150 nan 0.000 0.446 14 L N -0.876 120.352 121.223 0.007 0.000 2.552 14 L HA 0.173 4.519 4.340 0.009 0.000 0.227 14 L C 0.929 177.801 176.870 0.003 0.000 1.146 14 L CA 1.674 56.512 54.840 -0.003 0.000 0.858 14 L CB -0.877 41.178 42.059 -0.007 0.000 0.969 14 L HN 0.426 nan 8.230 nan 0.000 0.451 15 D N -0.460 119.946 120.400 0.009 0.000 2.427 15 D HA 0.332 4.978 4.640 0.009 0.000 0.226 15 D C -1.989 174.316 176.300 0.009 0.000 1.076 15 D CA -2.088 51.918 54.000 0.010 0.000 0.849 15 D CB 1.883 42.691 40.800 0.015 0.000 1.052 15 D HN 0.224 nan 8.370 nan 0.000 0.515 16 P HA 0.125 nan 4.420 nan 0.000 0.257 16 P C 0.637 177.941 177.300 0.006 0.000 1.325 16 P CA 0.065 63.169 63.100 0.005 0.000 0.850 16 P CB 0.073 31.774 31.700 0.003 0.000 1.324 17 S N -0.288 115.416 115.700 0.008 0.000 2.710 17 S HA 0.316 4.792 4.470 0.009 0.000 0.224 17 S C 0.729 175.334 174.600 0.008 0.000 0.948 17 S CA -0.017 58.188 58.200 0.008 0.000 0.949 17 S CB -0.263 62.942 63.200 0.008 0.000 0.778 17 S HN -0.068 nan 8.310 nan 0.000 0.498 18 V N 0.297 120.216 119.914 0.009 0.000 2.994 18 V HA 0.754 4.880 4.120 0.009 0.000 0.318 18 V C 1.018 177.117 176.094 0.009 0.000 1.085 18 V CA -0.915 61.391 62.300 0.010 0.000 0.998 18 V CB 1.548 33.379 31.823 0.013 0.000 1.063 18 V HN 0.368 nan 8.190 nan 0.000 0.447 19 G N 1.305 110.110 108.800 0.008 0.000 2.544 19 G HA2 0.332 4.298 3.960 0.009 0.000 0.242 19 G HA3 0.332 4.298 3.960 0.009 0.000 0.242 19 G C -1.885 173.020 174.900 0.009 0.000 1.247 19 G CA -0.632 44.472 45.100 0.007 0.000 0.840 19 G HN 0.619 nan 8.290 nan 0.000 0.578 20 P HA -0.050 nan 4.420 nan 0.000 0.219 20 P C 2.348 179.655 177.300 0.011 0.000 1.150 20 P CA 1.647 64.752 63.100 0.009 0.000 0.814 20 P CB -0.025 31.680 31.700 0.007 0.000 0.787 21 I N -0.589 119.987 120.570 0.009 0.000 2.208 21 I HA -0.233 3.942 4.170 0.009 0.000 0.245 21 I C 2.337 178.460 176.117 0.010 0.000 1.097 21 I CA 1.928 63.233 61.300 0.008 0.000 1.363 21 I CB -1.913 36.090 38.000 0.005 0.000 1.051 21 I HN -0.099 nan 8.210 nan 0.000 0.413 22 I N 0.821 121.397 120.570 0.011 0.000 2.353 22 I HA -0.197 3.979 4.170 0.009 0.000 0.248 22 I C 3.097 179.228 176.117 0.023 0.000 1.119 22 I CA 1.639 62.947 61.300 0.014 0.000 1.417 22 I CB -0.731 37.277 38.000 0.013 0.000 1.078 22 I HN 0.541 nan 8.210 nan 0.000 0.421 23 K N 0.875 121.288 120.400 0.022 0.000 2.026 23 K HA -0.188 4.137 4.320 0.009 0.000 0.208 23 K C 2.330 178.950 176.600 0.033 0.000 1.048 23 K CA 2.000 58.303 56.287 0.028 0.000 0.929 23 K CB -1.620 30.892 32.500 0.020 0.000 0.713 23 K HN 0.447 nan 8.250 nan 0.000 0.439 24 Q N -0.673 119.143 119.800 0.027 0.000 1.978 24 Q HA -0.343 4.003 4.340 0.009 0.000 0.211 24 Q C 2.724 178.749 176.000 0.043 0.000 1.013 24 Q CA 4.297 60.118 55.803 0.029 0.000 0.869 24 Q CB -1.831 26.919 28.738 0.021 0.000 0.953 24 Q HN 1.034 nan 8.270 nan 0.000 0.415 25 Q N -0.360 119.462 119.800 0.038 0.000 2.062 25 Q HA -0.012 4.334 4.340 0.009 0.000 0.209 25 Q C 2.710 178.768 176.000 0.097 0.000 0.996 25 Q CA 3.770 59.600 55.803 0.045 0.000 0.859 25 Q CB -1.443 27.301 28.738 0.011 0.000 0.920 25 Q HN 1.508 nan 8.270 nan 0.000 0.415 26 A N 0.209 123.085 122.820 0.094 0.000 1.842 26 A HA -0.202 4.124 4.320 0.009 0.000 0.217 26 A C 2.571 180.245 177.584 0.149 0.000 1.206 26 A CA 2.828 54.954 52.037 0.149 0.000 0.630 26 A CB -1.320 17.740 19.000 0.099 0.000 0.839 26 A HN 0.626 nan 8.150 nan 0.000 0.447 27 T N 0.229 114.833 114.554 0.084 0.000 2.721 27 T HA -0.166 4.190 4.350 0.009 0.000 0.268 27 T C 1.381 176.116 174.700 0.058 0.000 1.038 27 T CA 1.755 63.887 62.100 0.053 0.000 1.145 27 T CB -0.468 68.420 68.868 0.033 0.000 0.858 27 T HN 0.515 nan 8.240 nan 0.000 0.459 28 D N -0.154 120.296 120.400 0.084 0.000 2.249 28 D HA 0.031 4.677 4.640 0.009 0.000 0.205 28 D C 1.721 178.104 176.300 0.137 0.000 0.962 28 D CA 0.343 54.394 54.000 0.085 0.000 0.860 28 D CB -0.197 40.648 40.800 0.076 0.000 0.955 28 D HN 0.342 nan 8.370 nan 0.000 0.505 29 F N 2.102 122.057 119.950 0.008 0.000 2.113 29 F HA -0.073 4.459 4.527 0.009 0.000 0.297 29 F C 2.063 177.870 175.800 0.012 0.000 1.103 29 F CA 0.915 58.921 58.000 0.010 0.000 1.248 29 F CB -0.561 38.445 39.000 0.009 0.000 0.999 29 F HN -0.195 nan 8.300 nan 0.000 0.475 30 I N 0.275 120.727 120.570 -0.197 0.000 2.252 30 I HA -0.185 3.991 4.170 0.009 0.000 0.245 30 I C 2.693 178.708 176.117 -0.170 0.000 1.102 30 I CA 1.471 62.588 61.300 -0.305 0.000 1.385 30 I CB -1.272 36.636 38.000 -0.152 0.000 1.064 30 I HN 0.287 nan 8.210 nan 0.000 0.414 31 G N 0.173 108.930 108.800 -0.072 0.000 2.484 31 G HA2 -0.216 3.749 3.960 0.009 0.000 0.218 31 G HA3 -0.216 3.749 3.960 0.009 0.000 0.218 31 G C 1.791 176.674 174.900 -0.028 0.000 1.130 31 G CA 0.873 45.949 45.100 -0.041 0.000 0.784 31 G HN 0.498 nan 8.290 nan 0.000 0.543 32 S N 0.642 116.332 115.700 -0.018 0.000 2.402 32 S HA -0.036 4.439 4.470 0.009 0.000 0.229 32 S C 2.334 176.934 174.600 0.001 0.000 1.021 32 S CA 0.946 59.158 58.200 0.021 0.000 0.974 32 S CB -0.380 62.876 63.200 0.093 0.000 0.800 32 S HN 0.303 nan 8.310 nan 0.000 0.484 33 L N 1.071 122.252 121.223 -0.070 0.000 2.013 33 L HA -0.145 4.200 4.340 0.009 0.000 0.212 33 L C 3.061 179.948 176.870 0.028 0.000 1.073 33 L CA 1.916 56.728 54.840 -0.046 0.000 0.753 33 L CB -0.650 41.331 42.059 -0.130 0.000 0.890 33 L HN 0.344 nan 8.230 nan 0.000 0.432 34 R N 0.879 121.374 120.500 -0.009 0.000 2.073 34 R HA -0.145 4.201 4.340 0.009 0.000 0.234 34 R C 2.472 178.778 176.300 0.009 0.000 1.134 34 R CA 2.112 58.202 56.100 -0.016 0.000 0.952 34 R CB -0.866 29.404 30.300 -0.049 0.000 0.850 34 R HN 0.504 nan 8.270 nan 0.000 0.433 35 S N 0.192 115.902 115.700 0.017 0.000 2.348 35 S HA -0.105 4.371 4.470 0.009 0.000 0.221 35 S C 0.996 175.636 174.600 0.067 0.000 1.033 35 S CA 0.529 58.748 58.200 0.031 0.000 1.010 35 S CB -1.086 62.131 63.200 0.028 0.000 0.891 35 S HN 0.512 nan 8.310 nan 0.000 0.442 36 S N 1.193 116.943 115.700 0.084 0.000 2.559 36 S HA 0.191 4.667 4.470 0.009 0.000 0.282 36 S C 0.932 175.641 174.600 0.183 0.000 1.336 36 S CA 0.004 58.272 58.200 0.114 0.000 1.037 36 S CB 0.939 64.202 63.200 0.105 0.000 0.853 36 S HN 0.416 nan 8.310 nan 0.000 0.523 37 S N 1.341 117.146 115.700 0.176 0.000 2.446 37 S HA -0.019 4.457 4.470 0.009 0.000 0.225 37 S C 1.534 176.315 174.600 0.303 0.000 1.016 37 S CA 1.044 59.390 58.200 0.245 0.000 0.943 37 S CB -0.628 62.669 63.200 0.161 0.000 0.786 37 S HN 0.847 nan 8.310 nan 0.000 0.508 38 T N 0.365 115.007 114.554 0.148 0.000 3.040 38 T HA 0.217 4.573 4.350 0.009 0.000 0.252 38 T C 1.911 176.562 174.700 -0.083 0.000 1.064 38 T CA 0.561 62.653 62.100 -0.013 0.000 1.110 38 T CB -0.545 68.304 68.868 -0.032 0.000 0.921 38 T HN 0.461 nan 8.240 nan 0.000 0.480 39 G N 2.740 111.582 108.800 0.070 0.000 2.679 39 G HA2 -0.304 3.662 3.960 0.009 0.000 0.222 39 G HA3 -0.304 3.662 3.960 0.009 0.000 0.222 39 G C 1.594 176.527 174.900 0.056 0.000 1.164 39 G CA 1.445 46.582 45.100 0.061 0.000 0.769 39 G HN 0.725 nan 8.290 nan 0.000 0.610 40 W N 1.558 122.882 121.300 0.041 0.000 2.392 40 W HA 0.054 4.719 4.660 0.009 0.000 0.279 40 W C 2.239 178.818 176.519 0.100 0.000 1.225 40 W CA 2.114 59.497 57.345 0.063 0.000 1.233 40 W CB -1.041 28.486 29.460 0.111 0.000 1.122 40 W HN 0.431 nan 8.180 nan 0.000 0.561 41 K N 2.029 121.969 120.400 -0.767 0.000 2.113 41 K HA -0.105 4.221 4.320 0.009 0.000 0.208 41 K C 2.444 178.944 176.600 -0.167 0.000 1.047 41 K CA 3.272 59.160 56.287 -0.665 0.000 0.928 41 K CB -1.727 30.366 32.500 -0.678 0.000 0.716 41 K HN 0.434 nan 8.250 nan 0.000 0.446 42 I N -0.314 120.194 120.570 -0.103 0.000 2.394 42 I HA -0.112 4.063 4.170 0.009 0.000 0.251 42 I C 2.708 178.827 176.117 0.003 0.000 1.136 42 I CA 1.915 63.197 61.300 -0.029 0.000 1.425 42 I CB -1.456 36.532 38.000 -0.019 0.000 1.079 42 I HN 0.628 nan 8.210 nan 0.000 0.425 43 C N -0.977 118.360 119.300 0.061 0.000 2.485 43 C HA 0.054 4.519 4.460 0.009 0.000 0.277 43 C C 2.726 177.852 174.990 0.227 0.000 1.376 43 C CA 0.891 59.964 59.018 0.091 0.000 1.759 43 C CB -1.426 26.376 27.740 0.102 0.000 1.970 43 C HN 0.860 nan 8.230 nan 0.000 0.509 44 H N 1.851 121.042 119.070 0.202 0.000 2.387 44 H HA -0.069 4.492 4.556 0.010 0.000 0.299 44 H C 2.206 177.676 175.328 0.237 0.000 1.090 44 H CA 2.449 58.696 56.048 0.330 0.000 1.332 44 H CB 0.103 30.016 29.762 0.253 0.000 1.386 44 H HN 0.520 nan 8.280 nan 0.000 0.516 45 E N 0.572 120.871 120.200 0.164 0.000 2.158 45 E HA 0.017 4.372 4.350 0.009 0.000 0.191 45 E C 2.174 178.757 176.600 -0.028 0.000 0.982 45 E CA 1.057 57.486 56.400 0.048 0.000 0.823 45 E CB -0.531 29.214 29.700 0.075 0.000 0.766 45 E HN 0.675 nan 8.360 nan 0.000 0.468 46 I N -0.107 120.415 120.570 -0.080 0.000 2.277 46 I HA -0.044 4.132 4.170 0.009 0.000 0.243 46 I C 2.671 178.726 176.117 -0.104 0.000 1.094 46 I CA 1.358 62.515 61.300 -0.238 0.000 1.393 46 I CB -0.333 37.370 38.000 -0.494 0.000 1.078 46 I HN 0.448 nan 8.210 nan 0.000 0.417 47 F N 2.485 122.332 119.950 -0.170 0.000 2.154 47 F HA -0.281 4.252 4.527 0.009 0.000 0.301 47 F C 2.504 178.073 175.800 -0.385 0.000 1.087 47 F CA 1.697 59.566 58.000 -0.219 0.000 1.274 47 F CB -1.109 37.767 39.000 -0.205 0.000 1.009 47 F HN 0.094 nan 8.300 nan 0.000 0.485 48 S N 0.233 115.111 115.700 -1.369 0.000 2.395 48 S HA 0.059 4.535 4.470 0.009 0.000 0.225 48 S C 1.241 175.600 174.600 -0.402 0.000 1.027 48 S CA 0.493 57.964 58.200 -1.215 0.000 0.965 48 S CB -1.529 61.061 63.200 -1.017 0.000 0.812 48 S HN 0.689 nan 8.310 nan 0.000 0.482 49 E N 1.554 121.648 120.200 -0.176 0.000 2.491 49 E HA 0.435 4.790 4.350 0.009 0.000 0.250 49 E C 0.733 177.385 176.600 0.086 0.000 1.061 49 E CA 0.477 56.905 56.400 0.047 0.000 0.942 49 E CB -0.754 29.129 29.700 0.305 0.000 0.957 49 E HN 0.787 nan 8.360 nan 0.000 0.480 50 K N 1.027 121.459 120.400 0.053 0.000 2.350 50 K HA 0.349 4.674 4.320 0.009 0.000 0.196 50 K C 2.568 179.185 176.600 0.027 0.000 1.084 50 K CA 1.450 57.780 56.287 0.072 0.000 0.967 50 K CB -0.874 31.683 32.500 0.095 0.000 0.950 50 K HN 0.875 nan 8.250 nan 0.000 0.512 51 T N 0.098 114.646 114.554 -0.010 0.000 2.962 51 T HA 0.148 4.504 4.350 0.009 0.000 0.270 51 T C 2.138 176.782 174.700 -0.094 0.000 1.088 51 T CA 2.462 64.538 62.100 -0.040 0.000 1.127 51 T CB -0.332 68.511 68.868 -0.041 0.000 0.883 51 T HN 0.545 nan 8.240 nan 0.000 0.493 52 K N -0.537 119.756 120.400 -0.179 0.000 2.402 52 K HA 0.548 4.873 4.320 0.009 0.000 0.203 52 K C -0.034 176.233 176.600 -0.556 0.000 1.077 52 K CA -0.375 55.686 56.287 -0.376 0.000 1.051 52 K CB 0.159 32.346 32.500 -0.523 0.000 0.907 52 K HN 0.652 nan 8.250 nan 0.000 0.554 53 Y N 0.814 121.126 120.300 0.019 0.000 2.562 53 Y HA 0.398 4.953 4.550 0.009 0.000 0.343 53 Y C 0.054 175.982 175.900 0.046 0.000 1.025 53 Y CA -1.287 56.832 58.100 0.031 0.000 1.082 53 Y CB 2.103 40.578 38.460 0.026 0.000 1.264 53 Y HN -0.136 nan 8.280 nan 0.000 0.478 54 K N 3.787 124.356 120.400 0.281 0.000 2.276 54 K HA 0.146 4.472 4.320 0.009 0.000 0.283 54 K C -1.935 174.778 176.600 0.189 0.000 1.044 54 K CA -1.627 54.772 56.287 0.186 0.000 0.944 54 K CB 1.030 33.623 32.500 0.156 0.000 1.012 54 K HN 0.345 nan 8.250 nan 0.000 0.472 55 P HA -0.239 nan 4.420 nan 0.000 0.216 55 P C 0.792 178.273 177.300 0.302 0.000 1.154 55 P CA 1.543 64.798 63.100 0.258 0.000 0.865 55 P CB 0.172 32.032 31.700 0.267 0.000 0.789 56 S N -0.225 115.607 115.700 0.219 0.000 2.374 56 S HA -0.141 4.335 4.470 0.009 0.000 0.227 56 S C 2.072 176.714 174.600 0.071 0.000 1.037 56 S CA 2.195 60.450 58.200 0.092 0.000 1.024 56 S CB -1.577 61.657 63.200 0.056 0.000 0.861 56 S HN 0.326 nan 8.310 nan 0.000 0.456 57 T N 1.843 116.450 114.554 0.089 0.000 2.770 57 T HA 0.016 4.372 4.350 0.009 0.000 0.263 57 T C 1.906 176.625 174.700 0.031 0.000 1.039 57 T CA 0.868 62.993 62.100 0.042 0.000 1.142 57 T CB -0.200 68.689 68.868 0.035 0.000 0.868 57 T HN 0.285 nan 8.240 nan 0.000 0.435 58 R N 0.231 120.778 120.500 0.079 0.000 2.117 58 R HA -0.079 4.267 4.340 0.009 0.000 0.243 58 R C 2.299 178.668 176.300 0.114 0.000 1.143 58 R CA 0.993 57.151 56.100 0.096 0.000 0.968 58 R CB -0.558 29.828 30.300 0.144 0.000 0.863 58 R HN 0.210 nan 8.270 nan 0.000 0.444 59 L N 1.249 122.557 121.223 0.141 0.000 1.955 59 L HA -0.170 4.175 4.340 0.009 0.000 0.213 59 L C 2.683 179.585 176.870 0.053 0.000 1.072 59 L CA 2.193 57.114 54.840 0.134 0.000 0.755 59 L CB -0.967 41.167 42.059 0.124 0.000 0.888 59 L HN 0.205 nan 8.230 nan 0.000 0.432 60 I N -2.115 118.464 120.570 0.015 0.000 2.530 60 I HA -0.300 3.876 4.170 0.009 0.000 0.257 60 I C 2.607 178.709 176.117 -0.025 0.000 1.179 60 I CA 2.253 63.542 61.300 -0.018 0.000 1.440 60 I CB -2.090 35.888 38.000 -0.037 0.000 1.087 60 I HN 0.614 nan 8.210 nan 0.000 0.440 61 C N -1.080 118.215 119.300 -0.009 0.000 2.505 61 C HA 0.157 4.622 4.460 0.009 0.000 0.279 61 C C 2.709 177.691 174.990 -0.014 0.000 1.316 61 C CA 0.806 59.819 59.018 -0.007 0.000 1.720 61 C CB -0.733 27.012 27.740 0.009 0.000 2.050 61 C HN 0.754 nan 8.230 nan 0.000 0.493 62 L N 0.711 121.929 121.223 -0.008 0.000 1.994 62 L HA -0.250 4.096 4.340 0.009 0.000 0.208 62 L C 2.869 179.698 176.870 -0.069 0.000 1.071 62 L CA 1.711 56.509 54.840 -0.070 0.000 0.745 62 L CB -0.688 41.378 42.059 0.012 0.000 0.892 62 L HN 0.481 nan 8.230 nan 0.000 0.431 63 Q N -1.002 118.787 119.800 -0.019 0.000 2.061 63 Q HA -0.205 4.141 4.340 0.009 0.000 0.204 63 Q C 2.037 177.999 176.000 -0.064 0.000 0.984 63 Q CA 2.092 57.885 55.803 -0.018 0.000 0.846 63 Q CB -0.611 28.128 28.738 0.002 0.000 0.902 63 Q HN 0.510 nan 8.270 nan 0.000 0.421 64 T N 2.062 116.579 114.554 -0.061 0.000 2.555 64 T HA -0.195 4.161 4.350 0.009 0.000 0.264 64 T C 1.832 176.462 174.700 -0.116 0.000 1.083 64 T CA 1.321 63.377 62.100 -0.074 0.000 1.179 64 T CB -0.504 68.341 68.868 -0.039 0.000 0.863 64 T HN 0.051 nan 8.240 nan 0.000 0.412 65 L N 1.106 122.274 121.223 -0.092 0.000 2.064 65 L HA -0.175 4.170 4.340 0.009 0.000 0.216 65 L C 2.720 179.438 176.870 -0.254 0.000 1.077 65 L CA 1.689 56.449 54.840 -0.133 0.000 0.766 65 L CB -1.181 40.807 42.059 -0.118 0.000 0.890 65 L HN 0.202 nan 8.230 nan 0.000 0.435 66 S N -1.152 114.409 115.700 -0.232 0.000 2.356 66 S HA -0.220 4.255 4.470 0.009 0.000 0.223 66 S C 2.127 176.542 174.600 -0.309 0.000 1.032 66 S CA 1.341 59.366 58.200 -0.291 0.000 1.005 66 S CB -0.330 62.681 63.200 -0.316 0.000 0.867 66 S HN 0.686 nan 8.310 nan 0.000 0.449 67 E N 1.318 121.370 120.200 -0.248 0.000 2.110 67 E HA -0.169 4.187 4.350 0.009 0.000 0.193 67 E C 1.803 178.173 176.600 -0.384 0.000 0.988 67 E CA 1.716 57.970 56.400 -0.243 0.000 0.804 67 E CB -0.657 28.942 29.700 -0.168 0.000 0.745 67 E HN 0.357 nan 8.360 nan 0.000 0.458 68 K N -0.019 120.079 120.400 -0.503 0.000 2.148 68 K HA 0.002 4.327 4.320 0.009 0.000 0.204 68 K C 1.976 177.736 176.600 -1.399 0.000 1.050 68 K CA 1.109 56.856 56.287 -0.901 0.000 0.942 68 K CB -0.435 31.537 32.500 -0.880 0.000 0.724 68 K HN 0.296 nan 8.250 nan 0.000 0.446 69 V N 0.651 120.014 119.914 -0.918 0.000 2.809 69 V HA -0.124 4.002 4.120 0.009 0.000 0.256 69 V C 2.160 178.008 176.094 -0.411 0.000 1.080 69 V CA 1.391 63.309 62.300 -0.636 0.000 1.102 69 V CB -0.449 31.201 31.823 -0.288 0.000 0.705 69 V HN 0.264 nan 8.190 nan 0.000 0.475 70 R N 0.649 120.910 120.500 -0.398 0.000 2.066 70 R HA -0.097 4.249 4.340 0.009 0.000 0.232 70 R C 2.283 178.453 176.300 -0.217 0.000 1.131 70 R CA 1.683 57.635 56.100 -0.248 0.000 0.955 70 R CB -0.314 29.861 30.300 -0.208 0.000 0.851 70 R HN 0.635 nan 8.270 nan 0.000 0.432 71 E N 0.064 120.075 120.200 -0.315 0.000 2.476 71 E HA -0.038 4.318 4.350 0.009 0.000 0.191 71 E C -0.489 176.071 176.600 -0.066 0.000 1.064 71 E CA 0.094 56.376 56.400 -0.197 0.000 0.866 71 E CB -0.185 29.397 29.700 -0.196 0.000 0.952 71 E HN 0.213 nan 8.360 nan 0.000 0.492 72 W N 1.751 122.978 121.300 -0.122 0.000 2.387 72 W HA 0.375 5.040 4.660 0.010 0.000 0.310 72 W C 0.381 176.846 176.519 -0.090 0.000 1.181 72 W CA -1.818 55.455 57.345 -0.120 0.000 1.333 72 W CB -0.244 29.119 29.460 -0.162 0.000 1.286 72 W HN 0.082 nan 8.180 nan 0.000 0.455 73 N N 3.314 122.100 118.700 0.143 0.000 2.412 73 N HA -0.110 4.636 4.740 0.009 0.000 0.258 73 N C 1.201 176.733 175.510 0.037 0.000 1.236 73 N CA 0.557 53.641 53.050 0.058 0.000 0.882 73 N CB 0.520 39.024 38.487 0.029 0.000 1.066 73 N HN 0.304 nan 8.380 nan 0.000 0.465 74 N N 3.235 121.946 118.700 0.018 0.000 2.005 74 N HA -0.288 4.457 4.740 0.009 0.000 0.199 74 N C 1.466 176.963 175.510 -0.022 0.000 1.054 74 N CA 2.576 55.626 53.050 -0.000 0.000 0.864 74 N CB -0.912 37.570 38.487 -0.009 0.000 1.063 74 N HN 0.829 nan 8.380 nan 0.000 0.428 75 E N 1.237 121.423 120.200 -0.022 0.000 2.097 75 E HA -0.175 4.180 4.350 0.009 0.000 0.196 75 E C 2.054 178.630 176.600 -0.041 0.000 1.000 75 E CA 1.958 58.340 56.400 -0.030 0.000 0.804 75 E CB -1.000 28.686 29.700 -0.024 0.000 0.740 75 E HN 0.656 nan 8.360 nan 0.000 0.454 76 S N -0.700 114.977 115.700 -0.039 0.000 2.527 76 S HA 0.044 4.520 4.470 0.009 0.000 0.222 76 S C 1.077 175.616 174.600 -0.102 0.000 0.985 76 S CA 0.607 58.775 58.200 -0.054 0.000 0.921 76 S CB 0.242 63.423 63.200 -0.032 0.000 0.772 76 S HN 0.495 nan 8.310 nan 0.000 0.529 77 N N 0.206 118.830 118.700 -0.126 0.000 2.232 77 N HA 0.219 4.965 4.740 0.009 0.000 0.240 77 N C 1.390 176.766 175.510 -0.224 0.000 1.307 77 N CA 0.639 53.535 53.050 -0.258 0.000 0.859 77 N CB 0.629 38.861 38.487 -0.425 0.000 1.260 77 N HN 0.388 nan 8.380 nan 0.000 0.501 78 L N 0.252 121.398 121.223 -0.129 0.000 2.450 78 L HA 0.032 4.378 4.340 0.009 0.000 0.225 78 L C 2.765 179.560 176.870 -0.125 0.000 1.145 78 L CA 2.122 56.901 54.840 -0.101 0.000 0.801 78 L CB -2.000 40.017 42.059 -0.070 0.000 0.924 78 L HN 0.312 nan 8.230 nan 0.000 0.447 79 L N -1.678 119.450 121.223 -0.158 0.000 2.127 79 L HA -0.002 4.344 4.340 0.009 0.000 0.203 79 L C 2.425 179.188 176.870 -0.178 0.000 1.080 79 L CA 1.920 56.675 54.840 -0.143 0.000 0.768 79 L CB -1.262 40.722 42.059 -0.126 0.000 0.924 79 L HN 0.615 nan 8.230 nan 0.000 0.444 80 E N 0.139 120.142 120.200 -0.329 0.000 2.046 80 E HA -0.098 4.258 4.350 0.009 0.000 0.190 80 E C 2.301 178.696 176.600 -0.341 0.000 0.982 80 E CA 0.992 57.113 56.400 -0.465 0.000 0.800 80 E CB -0.141 28.890 29.700 -1.116 0.000 0.756 80 E HN 0.684 nan 8.360 nan 0.000 0.449 81 L N 1.150 122.211 121.223 -0.271 0.000 2.012 81 L HA -0.280 4.066 4.340 0.009 0.000 0.210 81 L C 2.664 179.525 176.870 -0.014 0.000 1.073 81 L CA 1.529 56.375 54.840 0.010 0.000 0.748 81 L CB -0.365 41.726 42.059 0.053 0.000 0.891 81 L HN 0.172 nan 8.230 nan 0.000 0.431 82 Q N -0.948 118.805 119.800 -0.078 0.000 2.124 82 Q HA -0.274 4.071 4.340 0.009 0.000 0.202 82 Q C 2.236 178.214 176.000 -0.037 0.000 0.977 82 Q CA 1.904 57.646 55.803 -0.102 0.000 0.850 82 Q CB -0.165 28.508 28.738 -0.109 0.000 0.901 82 Q HN 0.486 nan 8.270 nan 0.000 0.429 83 M N 0.256 119.855 119.600 -0.001 0.000 2.117 83 M HA -0.154 4.332 4.480 0.009 0.000 0.262 83 M C 2.039 178.477 176.300 0.231 0.000 1.065 83 M CA 1.439 56.788 55.300 0.081 0.000 1.114 83 M CB -0.011 32.617 32.600 0.046 0.000 1.361 83 M HN 0.279 nan 8.290 nan 0.000 0.408 84 I N -0.342 120.381 120.570 0.255 0.000 2.676 84 I HA -0.237 3.938 4.170 0.009 0.000 0.259 84 I C 2.407 178.710 176.117 0.309 0.000 1.194 84 I CA 0.883 62.434 61.300 0.419 0.000 1.473 84 I CB -0.257 37.965 38.000 0.371 0.000 1.096 84 I HN 0.388 nan 8.210 nan 0.000 0.443 85 R N 0.936 121.539 120.500 0.171 0.000 2.064 85 R HA -0.194 4.151 4.340 0.009 0.000 0.228 85 R C 1.842 178.269 176.300 0.212 0.000 1.144 85 R CA 2.131 58.297 56.100 0.111 0.000 0.932 85 R CB -0.512 29.645 30.300 -0.239 0.000 0.833 85 R HN 0.309 nan 8.270 nan 0.000 0.429 86 D N 0.384 120.861 120.400 0.129 0.000 2.220 86 D HA -0.164 4.481 4.640 0.009 0.000 0.198 86 D C 1.906 178.401 176.300 0.325 0.000 1.001 86 D CA 1.801 55.928 54.000 0.211 0.000 0.875 86 D CB -0.067 40.812 40.800 0.131 0.000 0.921 86 D HN 0.320 nan 8.370 nan 0.000 0.454 87 S N 0.096 116.003 115.700 0.345 0.000 2.357 87 S HA -0.074 4.402 4.470 0.009 0.000 0.221 87 S C 2.412 177.305 174.600 0.488 0.000 1.031 87 S CA 0.452 58.869 58.200 0.361 0.000 0.982 87 S CB -0.251 63.178 63.200 0.383 0.000 0.853 87 S HN 0.101 nan 8.310 nan 0.000 0.458 88 V N 1.228 121.477 119.914 0.558 0.000 2.358 88 V HA -0.141 3.985 4.120 0.009 0.000 0.246 88 V C 1.969 178.391 176.094 0.546 0.000 1.047 88 V CA 1.393 64.065 62.300 0.619 0.000 1.035 88 V CB -0.631 31.449 31.823 0.428 0.000 0.658 88 V HN 0.690 nan 8.190 nan 0.000 0.452 89 W N 0.822 122.339 121.300 0.361 0.000 2.381 89 W HA -0.171 4.495 4.660 0.010 0.000 0.301 89 W C 2.488 179.146 176.519 0.232 0.000 1.205 89 W CA 1.810 59.342 57.345 0.312 0.000 1.285 89 W CB -0.277 29.359 29.460 0.294 0.000 1.133 89 W HN 0.309 nan 8.180 nan 0.000 0.521 90 S N 0.114 115.974 115.700 0.266 0.000 2.370 90 S HA -0.265 4.211 4.470 0.009 0.000 0.226 90 S C 1.464 176.089 174.600 0.040 0.000 1.033 90 S CA 1.734 60.013 58.200 0.131 0.000 1.011 90 S CB -1.002 62.304 63.200 0.177 0.000 0.852 90 S HN 0.405 nan 8.310 nan 0.000 0.457 91 Y N 1.770 122.066 120.300 -0.006 0.000 2.114 91 Y HA -0.028 4.528 4.550 0.009 0.000 0.284 91 Y C 2.058 177.910 175.900 -0.080 0.000 1.143 91 Y CA 1.067 59.145 58.100 -0.036 0.000 1.135 91 Y CB -0.568 37.925 38.460 0.055 0.000 0.980 91 Y HN 0.207 nan 8.280 nan 0.000 0.499 92 I N -0.140 120.336 120.570 -0.156 0.000 2.286 92 I HA -0.369 3.806 4.170 0.009 0.000 0.248 92 I C 2.147 177.986 176.117 -0.462 0.000 1.115 92 I CA 1.495 62.587 61.300 -0.347 0.000 1.392 92 I CB -0.284 37.588 38.000 -0.214 0.000 1.065 92 I HN 0.073 nan 8.210 nan 0.000 0.418 93 K N 0.360 120.433 120.400 -0.545 0.000 2.057 93 K HA -0.175 4.150 4.320 0.009 0.000 0.207 93 K C 1.772 178.174 176.600 -0.330 0.000 1.049 93 K CA 1.683 57.677 56.287 -0.489 0.000 0.931 93 K CB -0.721 31.528 32.500 -0.419 0.000 0.714 93 K HN 0.625 nan 8.250 nan 0.000 0.440 94 E N 0.144 120.178 120.200 -0.276 0.000 2.058 94 E HA -0.110 4.246 4.350 0.009 0.000 0.194 94 E C 0.865 177.316 176.600 -0.249 0.000 0.997 94 E CA 1.555 57.821 56.400 -0.223 0.000 0.801 94 E CB -0.317 29.274 29.700 -0.182 0.000 0.746 94 E HN 0.375 nan 8.360 nan 0.000 0.450 95 L N -2.276 118.794 121.223 -0.255 0.000 4.613 95 L HA -0.239 4.106 4.340 0.009 0.000 0.409 95 L C 1.109 177.946 176.870 -0.055 0.000 1.100 95 L CA 0.374 55.157 54.840 -0.094 0.000 1.029 95 L CB -2.378 39.401 42.059 -0.467 0.000 2.137 95 L HN 0.249 nan 8.230 nan 0.000 0.713 96 S N -1.081 114.541 115.700 -0.130 0.000 2.629 96 S HA 0.693 5.169 4.470 0.009 0.000 0.236 96 S C 1.071 175.637 174.600 -0.056 0.000 1.010 96 S CA 0.487 58.644 58.200 -0.073 0.000 0.981 96 S CB 0.047 63.207 63.200 -0.066 0.000 0.919 96 S HN 0.693 nan 8.310 nan 0.000 0.514 97 F N -0.223 119.668 119.950 -0.100 0.000 2.871 97 F HA 0.484 5.017 4.527 0.009 0.000 0.344 97 F C 1.237 177.022 175.800 -0.024 0.000 1.078 97 F CA -0.192 57.802 58.000 -0.010 0.000 1.149 97 F CB -0.474 38.603 39.000 0.129 0.000 1.087 97 F HN 0.213 nan 8.300 nan 0.000 0.557 98 L N 0.805 121.955 121.223 -0.122 0.000 2.610 98 L HA 0.026 4.372 4.340 0.009 0.000 0.232 98 L C 1.023 177.837 176.870 -0.093 0.000 1.149 98 L CA 0.977 55.746 54.840 -0.119 0.000 0.872 98 L CB -0.302 41.587 42.059 -0.283 0.000 0.992 98 L HN 0.590 nan 8.230 nan 0.000 0.447 99 D N -1.106 119.256 120.400 -0.064 0.000 2.706 99 D HA 0.057 4.702 4.640 0.009 0.000 0.236 99 D C 0.503 176.775 176.300 -0.047 0.000 1.231 99 D CA -0.120 53.848 54.000 -0.053 0.000 0.828 99 D CB 0.128 40.913 40.800 -0.026 0.000 1.015 99 D HN 0.196 nan 8.370 nan 0.000 0.484 100 E N 1.021 121.187 120.200 -0.056 0.000 4.034 100 E HA 0.293 4.648 4.350 0.009 0.000 0.297 100 E C -1.894 174.617 176.600 -0.148 0.000 1.372 100 E CA -1.360 54.996 56.400 -0.073 0.000 1.555 100 E CB -0.435 29.230 29.700 -0.058 0.000 1.488 100 E HN 0.210 nan 8.360 nan 0.000 0.782 101 P HA 0.031 nan 4.420 nan 0.000 0.272 101 P C 0.032 177.063 177.300 -0.448 0.000 1.230 101 P CA 0.207 63.065 63.100 -0.402 0.000 0.788 101 P CB 0.633 31.918 31.700 -0.691 0.000 0.949 102 A N 2.606 125.269 122.820 -0.262 0.000 1.927 102 A HA -0.262 4.064 4.320 0.009 0.000 0.220 102 A C 2.121 179.654 177.584 -0.086 0.000 1.185 102 A CA 2.261 54.226 52.037 -0.120 0.000 0.639 102 A CB -2.054 16.935 19.000 -0.018 0.000 0.820 102 A HN 0.747 nan 8.150 nan 0.000 0.451 103 Y N -1.187 119.139 120.300 0.043 0.000 2.333 103 Y HA -0.018 4.537 4.550 0.009 0.000 0.290 103 Y C 1.763 177.707 175.900 0.073 0.000 1.144 103 Y CA 0.928 59.056 58.100 0.047 0.000 1.228 103 Y CB -0.805 37.679 38.460 0.039 0.000 0.985 103 Y HN 0.242 nan 8.280 nan 0.000 0.542 104 I N -0.060 120.411 120.570 -0.165 0.000 2.928 104 I HA -0.145 4.031 4.170 0.009 0.000 0.266 104 I C 2.388 178.569 176.117 0.106 0.000 1.234 104 I CA 1.305 62.627 61.300 0.036 0.000 1.483 104 I CB -0.231 37.745 38.000 -0.039 0.000 1.097 104 I HN 0.415 nan 8.210 nan 0.000 0.455 105 S N 0.754 116.491 115.700 0.062 0.000 2.468 105 S HA 0.002 4.478 4.470 0.009 0.000 0.226 105 S C 1.775 176.476 174.600 0.170 0.000 1.051 105 S CA 0.349 58.629 58.200 0.133 0.000 0.943 105 S CB -0.019 63.226 63.200 0.075 0.000 0.810 105 S HN 0.314 nan 8.310 nan 0.000 0.509 106 N N 2.288 121.052 118.700 0.107 0.000 2.142 106 N HA 0.068 4.814 4.740 0.009 0.000 0.186 106 N C 1.816 177.400 175.510 0.122 0.000 1.023 106 N CA 1.413 54.514 53.050 0.085 0.000 0.852 106 N CB -0.703 37.821 38.487 0.063 0.000 0.998 106 N HN 0.546 nan 8.380 nan 0.000 0.424 107 A N 0.428 123.344 122.820 0.160 0.000 2.014 107 A HA 0.002 4.327 4.320 0.009 0.000 0.218 107 A C 2.439 180.136 177.584 0.188 0.000 1.163 107 A CA 0.736 52.881 52.037 0.179 0.000 0.652 107 A CB -0.406 18.698 19.000 0.174 0.000 0.808 107 A HN 0.088 nan 8.150 nan 0.000 0.449 108 V N 0.097 120.144 119.914 0.222 0.000 2.270 108 V HA -0.327 3.798 4.120 0.009 0.000 0.245 108 V C 2.606 178.861 176.094 0.267 0.000 1.043 108 V CA 2.242 64.705 62.300 0.272 0.000 1.014 108 V CB -1.004 31.058 31.823 0.399 0.000 0.645 108 V HN 0.668 nan 8.190 nan 0.000 0.447 109 Q N -0.577 119.368 119.800 0.243 0.000 2.096 109 Q HA -0.329 4.017 4.340 0.009 0.000 0.208 109 Q C 2.293 178.374 176.000 0.135 0.000 0.993 109 Q CA 2.366 58.224 55.803 0.092 0.000 0.862 109 Q CB -0.477 28.202 28.738 -0.098 0.000 0.915 109 Q HN 0.725 nan 8.270 nan 0.000 0.416 110 H N 0.743 119.829 119.070 0.028 0.000 2.319 110 H HA -0.148 4.414 4.556 0.010 0.000 0.299 110 H C 1.842 177.186 175.328 0.026 0.000 1.092 110 H CA 1.635 57.690 56.048 0.011 0.000 1.302 110 H CB -0.380 29.383 29.762 0.003 0.000 1.373 110 H HN 0.211 nan 8.280 nan 0.000 0.497 111 L N 0.066 121.263 121.223 -0.043 0.000 1.970 111 L HA -0.114 4.232 4.340 0.009 0.000 0.212 111 L C 2.451 179.340 176.870 0.032 0.000 1.071 111 L CA 1.840 56.612 54.840 -0.113 0.000 0.751 111 L CB -1.376 40.627 42.059 -0.093 0.000 0.889 111 L HN 0.411 nan 8.230 nan 0.000 0.432 112 L N -0.248 121.075 121.223 0.167 0.000 2.021 112 L HA -0.272 4.074 4.340 0.009 0.000 0.215 112 L C 2.619 179.622 176.870 0.221 0.000 1.074 112 L CA 2.875 57.901 54.840 0.309 0.000 0.760 112 L CB -1.475 40.823 42.059 0.398 0.000 0.889 112 L HN 0.690 nan 8.230 nan 0.000 0.433 113 T N -2.977 111.641 114.554 0.106 0.000 2.788 113 T HA -0.180 4.175 4.350 0.009 0.000 0.268 113 T C 2.048 176.804 174.700 0.094 0.000 1.044 113 T CA 1.607 63.733 62.100 0.044 0.000 1.139 113 T CB -0.797 68.090 68.868 0.033 0.000 0.867 113 T HN 0.418 nan 8.240 nan 0.000 0.454 114 L N 0.359 121.596 121.223 0.023 0.000 2.005 114 L HA 0.033 4.378 4.340 0.009 0.000 0.207 114 L C 2.844 179.746 176.870 0.052 0.000 1.072 114 L CA 1.140 55.968 54.840 -0.021 0.000 0.744 114 L CB -0.798 41.161 42.059 -0.166 0.000 0.895 114 L HN 0.218 nan 8.230 nan 0.000 0.433 115 L N -0.690 120.606 121.223 0.121 0.000 1.978 115 L HA -0.323 4.022 4.340 0.009 0.000 0.218 115 L C 2.636 179.689 176.870 0.305 0.000 1.075 115 L CA 1.798 56.784 54.840 0.245 0.000 0.767 115 L CB -0.824 41.479 42.059 0.407 0.000 0.890 115 L HN 0.161 nan 8.230 nan 0.000 0.434 116 F N 0.730 120.739 119.950 0.099 0.000 2.063 116 F HA -0.300 4.233 4.527 0.010 0.000 0.298 116 F C 2.206 177.945 175.800 -0.101 0.000 1.105 116 F CA 1.807 59.653 58.000 -0.257 0.000 1.215 116 F CB -0.423 38.025 39.000 -0.919 0.000 0.972 116 F HN -0.095 nan 8.300 nan 0.000 0.483 117 L N -0.184 120.985 121.223 -0.089 0.000 2.349 117 L HA -0.209 4.137 4.340 0.009 0.000 0.220 117 L C 2.032 178.820 176.870 -0.136 0.000 1.130 117 L CA 1.100 55.839 54.840 -0.168 0.000 0.791 117 L CB -0.584 41.460 42.059 -0.024 0.000 0.918 117 L HN 0.378 nan 8.230 nan 0.000 0.444 118 Q N -1.123 118.644 119.800 -0.055 0.000 2.317 118 Q HA 0.180 4.526 4.340 0.009 0.000 0.220 118 Q C 1.673 177.676 176.000 0.006 0.000 0.873 118 Q CA 0.390 56.184 55.803 -0.015 0.000 0.936 118 Q CB 0.994 29.750 28.738 0.030 0.000 1.105 118 Q HN 0.541 nan 8.270 nan 0.000 0.520 119 L N -1.734 119.515 121.223 0.043 0.000 2.803 119 L HA 0.117 4.463 4.340 0.009 0.000 0.246 119 L C 1.824 178.774 176.870 0.133 0.000 1.100 119 L CA 0.029 54.939 54.840 0.116 0.000 0.919 119 L CB -0.116 42.082 42.059 0.231 0.000 1.285 119 L HN 0.050 nan 8.230 nan 0.000 0.522 120 Y N 3.489 123.675 120.300 -0.189 0.000 2.053 120 Y HA -0.169 4.386 4.550 0.010 0.000 0.277 120 Y C -0.361 175.491 175.900 -0.080 0.000 1.159 120 Y CA 2.311 60.262 58.100 -0.247 0.000 1.125 120 Y CB -1.478 36.399 38.460 -0.970 0.000 0.969 120 Y HN 0.046 nan 8.280 nan 0.000 0.492 121 P HA -0.231 nan 4.420 nan 0.000 0.219 121 P C 1.156 178.295 177.300 -0.269 0.000 1.161 121 P CA 2.961 65.888 63.100 -0.289 0.000 0.909 121 P CB 0.053 31.692 31.700 -0.102 0.000 0.793 122 S N -2.015 113.600 115.700 -0.142 0.000 2.931 122 S HA 0.104 4.579 4.470 0.009 0.000 0.251 122 S C 1.673 176.256 174.600 -0.028 0.000 1.078 122 S CA -0.219 57.931 58.200 -0.083 0.000 0.835 122 S CB -0.460 62.708 63.200 -0.053 0.000 0.798 122 S HN 0.086 nan 8.310 nan 0.000 0.495 123 N N 0.224 118.926 118.700 0.004 0.000 2.309 123 N HA -0.046 4.700 4.740 0.009 0.000 0.182 123 N C -0.193 175.388 175.510 0.119 0.000 1.018 123 N CA 0.832 53.900 53.050 0.030 0.000 0.876 123 N CB 0.038 38.531 38.487 0.010 0.000 0.972 123 N HN 0.408 nan 8.380 nan 0.000 0.434 124 W N 2.649 123.930 121.300 -0.032 0.000 1.986 124 W HA 0.356 5.021 4.660 0.010 0.000 0.287 124 W C 0.341 176.904 176.519 0.074 0.000 0.866 124 W CA -1.328 56.051 57.345 0.056 0.000 2.056 124 W CB -0.675 28.882 29.460 0.163 0.000 2.290 124 W HN -0.084 nan 8.180 nan 0.000 0.396 125 N N 0.898 119.753 118.700 0.258 0.000 2.069 125 N HA -0.206 4.539 4.740 0.009 0.000 0.191 125 N C 1.206 176.854 175.510 0.229 0.000 1.031 125 N CA 2.191 55.320 53.050 0.132 0.000 0.852 125 N CB -0.253 38.283 38.487 0.082 0.000 1.018 125 N HN 0.370 nan 8.380 nan 0.000 0.423 126 D N -0.278 120.283 120.400 0.268 0.000 2.319 126 D HA -0.067 4.578 4.640 0.009 0.000 0.230 126 D C 1.531 177.898 176.300 0.111 0.000 1.094 126 D CA -0.400 53.718 54.000 0.196 0.000 0.856 126 D CB -0.783 40.089 40.800 0.120 0.000 0.915 126 D HN 0.141 nan 8.370 nan 0.000 0.517 127 F N 1.052 120.954 119.950 -0.081 0.000 2.085 127 F HA -0.243 4.290 4.527 0.009 0.000 0.299 127 F C 1.427 177.017 175.800 -0.350 0.000 1.096 127 F CA 1.777 59.432 58.000 -0.576 0.000 1.227 127 F CB -0.317 38.184 39.000 -0.832 0.000 0.983 127 F HN -0.081 nan 8.300 nan 0.000 0.482 128 F N -0.451 119.494 119.950 -0.009 0.000 2.335 128 F HA 0.109 4.642 4.527 0.009 0.000 0.296 128 F C 2.414 178.133 175.800 -0.134 0.000 1.091 128 F CA 0.741 58.684 58.000 -0.096 0.000 1.399 128 F CB -1.174 37.882 39.000 0.092 0.000 1.067 128 F HN 0.053 nan 8.300 nan 0.000 0.520 129 A N -0.174 122.718 122.820 0.120 0.000 1.845 129 A HA -0.169 4.156 4.320 0.009 0.000 0.215 129 A C 2.390 179.965 177.584 -0.015 0.000 1.195 129 A CA 2.191 54.256 52.037 0.047 0.000 0.616 129 A CB -1.215 17.833 19.000 0.081 0.000 0.832 129 A HN 0.266 nan 8.150 nan 0.000 0.443 130 S N -0.436 115.254 115.700 -0.017 0.000 2.359 130 S HA -0.177 4.299 4.470 0.009 0.000 0.224 130 S C 1.923 176.633 174.600 0.183 0.000 1.035 130 S CA 1.588 59.812 58.200 0.039 0.000 1.018 130 S CB -0.563 62.578 63.200 -0.097 0.000 0.876 130 S HN 0.513 nan 8.310 nan 0.000 0.448 131 L N 1.664 122.942 121.223 0.092 0.000 2.012 131 L HA -0.158 4.188 4.340 0.009 0.000 0.210 131 L C 2.247 179.093 176.870 -0.040 0.000 1.073 131 L CA 1.847 56.808 54.840 0.202 0.000 0.748 131 L CB -0.787 41.165 42.059 -0.179 0.000 0.891 131 L HN 0.248 nan 8.230 nan 0.000 0.431 132 Q N -0.614 119.000 119.800 -0.310 0.000 2.084 132 Q HA -0.117 4.229 4.340 0.009 0.000 0.202 132 Q C 2.134 177.952 176.000 -0.304 0.000 0.978 132 Q CA 1.527 56.849 55.803 -0.802 0.000 0.844 132 Q CB -0.664 27.337 28.738 -1.228 0.000 0.898 132 Q HN 0.699 nan 8.270 nan 0.000 0.426 133 G N -0.232 108.508 108.800 -0.100 0.000 2.450 133 G HA2 -0.230 3.736 3.960 0.009 0.000 0.220 133 G HA3 -0.230 3.736 3.960 0.009 0.000 0.220 133 G C 1.391 176.322 174.900 0.052 0.000 1.130 133 G CA 1.093 46.210 45.100 0.029 0.000 0.760 133 G HN 0.230 nan 8.290 nan 0.000 0.557 134 V N 1.247 121.193 119.914 0.053 0.000 2.346 134 V HA -0.041 4.084 4.120 0.009 0.000 0.244 134 V C 2.717 178.806 176.094 -0.009 0.000 1.037 134 V CA 0.750 63.056 62.300 0.011 0.000 1.029 134 V CB -0.302 31.517 31.823 -0.006 0.000 0.663 134 V HN 0.212 nan 8.190 nan 0.000 0.454 135 I N 1.085 121.694 120.570 0.064 0.000 2.264 135 I HA -0.238 3.938 4.170 0.009 0.000 0.248 135 I C 2.625 178.850 176.117 0.179 0.000 1.111 135 I CA 2.039 63.447 61.300 0.180 0.000 1.382 135 I CB -1.602 36.529 38.000 0.218 0.000 1.060 135 I HN 0.314 nan 8.210 nan 0.000 0.418 136 A N 0.580 123.532 122.820 0.220 0.000 1.897 136 A HA -0.011 4.315 4.320 0.009 0.000 0.215 136 A C 2.595 180.207 177.584 0.048 0.000 1.181 136 A CA 1.619 53.750 52.037 0.158 0.000 0.620 136 A CB -0.763 18.376 19.000 0.232 0.000 0.821 136 A HN 0.382 nan 8.150 nan 0.000 0.443 137 A N 0.513 123.346 122.820 0.022 0.000 1.865 137 A HA -0.053 4.273 4.320 0.009 0.000 0.217 137 A C 1.747 179.288 177.584 -0.071 0.000 1.191 137 A CA 1.731 53.753 52.037 -0.025 0.000 0.623 137 A CB -1.114 17.866 19.000 -0.033 0.000 0.826 137 A HN 1.031 nan 8.150 nan 0.000 0.444 138 S N 0.507 116.126 115.700 -0.134 0.000 3.036 138 S HA 0.415 4.891 4.470 0.009 0.000 0.301 138 S C -0.126 174.414 174.600 -0.100 0.000 1.205 138 S CA -0.245 57.830 58.200 -0.209 0.000 0.999 138 S CB 0.467 63.367 63.200 -0.499 0.000 1.337 138 S HN 0.191 nan 8.310 nan 0.000 0.515 139 S N 4.242 119.917 115.700 -0.042 0.000 3.024 139 S HA 0.191 4.667 4.470 0.009 0.000 0.316 139 S C 0.124 174.760 174.600 0.062 0.000 1.197 139 S CA -0.527 57.681 58.200 0.015 0.000 1.097 139 S CB -0.516 62.676 63.200 -0.014 0.000 1.471 139 S HN 0.885 nan 8.310 nan 0.000 0.543 140 Q N 0.316 120.201 119.800 0.143 0.000 2.386 140 Q HA 0.409 4.755 4.340 0.009 0.000 0.274 140 Q C 0.590 176.733 176.000 0.238 0.000 1.011 140 Q CA -0.919 54.990 55.803 0.178 0.000 0.867 140 Q CB 0.905 29.730 28.738 0.145 0.000 1.409 140 Q HN 0.338 nan 8.270 nan 0.000 0.395 141 S N 1.170 116.977 115.700 0.178 0.000 2.359 141 S HA -0.313 4.163 4.470 0.009 0.000 0.223 141 S C 1.995 176.587 174.600 -0.013 0.000 1.039 141 S CA 1.921 60.104 58.200 -0.028 0.000 1.042 141 S CB -1.115 61.984 63.200 -0.169 0.000 0.915 141 S HN 0.851 nan 8.310 nan 0.000 0.439 142 E N 0.878 121.092 120.200 0.022 0.000 2.136 142 E HA -0.197 4.158 4.350 0.009 0.000 0.202 142 E C 1.672 178.237 176.600 -0.058 0.000 1.019 142 E CA 1.864 58.255 56.400 -0.016 0.000 0.819 142 E CB -1.374 28.332 29.700 0.010 0.000 0.739 142 E HN 0.722 nan 8.360 nan 0.000 0.458 143 F N 0.965 120.944 119.950 0.048 0.000 2.163 143 F HA -0.033 4.500 4.527 0.010 0.000 0.297 143 F C 2.943 178.867 175.800 0.206 0.000 1.094 143 F CA 1.643 59.702 58.000 0.097 0.000 1.290 143 F CB -0.004 39.018 39.000 0.036 0.000 1.017 143 F HN 0.173 nan 8.300 nan 0.000 0.483 144 S N 0.368 116.236 115.700 0.280 0.000 2.359 144 S HA -0.207 4.269 4.470 0.009 0.000 0.224 144 S C 1.784 176.504 174.600 0.200 0.000 1.035 144 S CA 1.416 59.780 58.200 0.274 0.000 1.018 144 S CB -0.536 62.778 63.200 0.190 0.000 0.876 144 S HN 0.378 nan 8.310 nan 0.000 0.448 145 N N 1.475 120.200 118.700 0.042 0.000 2.036 145 N HA -0.130 4.616 4.740 0.009 0.000 0.195 145 N C 1.455 176.980 175.510 0.024 0.000 1.037 145 N CA 1.319 54.363 53.050 -0.009 0.000 0.855 145 N CB -0.833 37.614 38.487 -0.065 0.000 1.033 145 N HN 0.454 nan 8.380 nan 0.000 0.423 146 F N 1.201 121.084 119.950 -0.112 0.000 2.063 146 F HA -0.331 4.202 4.527 0.009 0.000 0.298 146 F C 2.517 178.307 175.800 -0.017 0.000 1.109 146 F CA 1.582 59.501 58.000 -0.135 0.000 1.212 146 F CB -0.753 38.045 39.000 -0.337 0.000 0.973 146 F HN 0.091 nan 8.300 nan 0.000 0.480 147 Y N 0.857 121.220 120.300 0.105 0.000 2.070 147 Y HA -0.256 4.299 4.550 0.009 0.000 0.280 147 Y C 2.173 178.027 175.900 -0.077 0.000 1.148 147 Y CA 2.207 60.336 58.100 0.048 0.000 1.125 147 Y CB -0.870 37.733 38.460 0.237 0.000 0.975 147 Y HN 0.144 nan 8.280 nan 0.000 0.492 148 L N 0.446 121.656 121.223 -0.023 0.000 2.051 148 L HA -0.341 4.005 4.340 0.009 0.000 0.214 148 L C 2.411 179.133 176.870 -0.248 0.000 1.076 148 L CA 2.166 56.916 54.840 -0.150 0.000 0.758 148 L CB -0.618 41.431 42.059 -0.017 0.000 0.890 148 L HN 0.258 nan 8.230 nan 0.000 0.433 149 K N -0.720 119.534 120.400 -0.244 0.000 2.211 149 K HA -0.079 4.246 4.320 0.009 0.000 0.203 149 K C 1.981 178.411 176.600 -0.284 0.000 1.050 149 K CA 0.890 57.036 56.287 -0.233 0.000 0.945 149 K CB -0.113 32.250 32.500 -0.229 0.000 0.732 149 K HN 0.166 nan 8.250 nan 0.000 0.451 150 V N 1.875 121.529 119.914 -0.434 0.000 2.427 150 V HA -0.195 3.931 4.120 0.009 0.000 0.248 150 V C 2.151 178.107 176.094 -0.229 0.000 1.051 150 V CA 1.407 63.485 62.300 -0.370 0.000 1.048 150 V CB -0.392 31.172 31.823 -0.432 0.000 0.666 150 V HN 0.266 nan 8.190 nan 0.000 0.456 151 L N -0.974 120.079 121.223 -0.284 0.000 2.056 151 L HA -0.166 4.180 4.340 0.009 0.000 0.207 151 L C 2.390 179.404 176.870 0.239 0.000 1.078 151 L CA 1.159 55.973 54.840 -0.043 0.000 0.749 151 L CB -0.499 41.326 42.059 -0.391 0.000 0.901 151 L HN 0.291 nan 8.230 nan 0.000 0.433 152 L N -0.902 120.361 121.223 0.068 0.000 2.093 152 L HA -0.179 4.167 4.340 0.009 0.000 0.208 152 L C 2.781 179.708 176.870 0.095 0.000 1.085 152 L CA 1.481 56.405 54.840 0.140 0.000 0.755 152 L CB -0.856 41.221 42.059 0.031 0.000 0.904 152 L HN 0.122 nan 8.230 nan 0.000 0.435 153 S N -0.559 115.145 115.700 0.008 0.000 2.368 153 S HA -0.130 4.346 4.470 0.009 0.000 0.225 153 S C 2.049 176.648 174.600 -0.003 0.000 1.030 153 S CA 1.166 59.356 58.200 -0.017 0.000 0.999 153 S CB -0.254 62.917 63.200 -0.049 0.000 0.844 153 S HN 0.347 nan 8.310 nan 0.000 0.459 154 I N 1.024 121.599 120.570 0.008 0.000 2.361 154 I HA -0.115 4.061 4.170 0.009 0.000 0.251 154 I C 2.536 178.605 176.117 -0.079 0.000 1.133 154 I CA 1.130 62.415 61.300 -0.026 0.000 1.413 154 I CB -0.704 37.279 38.000 -0.029 0.000 1.073 154 I HN 0.414 nan 8.210 nan 0.000 0.424 155 G N 0.310 109.103 108.800 -0.012 0.000 2.394 155 G HA2 -0.212 3.753 3.960 0.009 0.000 0.215 155 G HA3 -0.212 3.753 3.960 0.009 0.000 0.215 155 G C 1.157 175.981 174.900 -0.127 0.000 1.165 155 G CA 0.673 45.684 45.100 -0.149 0.000 0.784 155 G HN 0.263 nan 8.290 nan 0.000 0.535 156 D N 0.665 121.038 120.400 -0.044 0.000 2.116 156 D HA -0.088 4.557 4.640 0.009 0.000 0.193 156 D C 2.290 178.538 176.300 -0.087 0.000 0.998 156 D CA 0.948 54.916 54.000 -0.054 0.000 0.836 156 D CB 0.043 40.819 40.800 -0.039 0.000 0.951 156 D HN 0.200 nan 8.370 nan 0.000 0.449 157 E N -0.718 119.430 120.200 -0.086 0.000 2.482 157 E HA 0.068 4.424 4.350 0.009 0.000 0.196 157 E C 1.555 178.060 176.600 -0.158 0.000 1.047 157 E CA 0.298 56.645 56.400 -0.090 0.000 0.869 157 E CB 0.594 30.272 29.700 -0.036 0.000 0.836 157 E HN 0.459 nan 8.360 nan 0.000 0.520 158 I N -1.457 118.956 120.570 -0.262 0.000 4.730 158 I HA 0.147 4.322 4.170 0.009 0.000 0.332 158 I C 1.543 177.349 176.117 -0.520 0.000 1.299 158 I CA 0.283 61.339 61.300 -0.407 0.000 1.294 158 I CB 0.644 38.294 38.000 -0.582 0.000 1.317 158 I HN -0.101 nan 8.210 nan 0.000 0.457 159 A N 0.331 122.886 122.820 -0.441 0.000 2.192 159 A HA 0.249 4.574 4.320 0.009 0.000 0.208 159 A C 0.921 178.400 177.584 -0.176 0.000 1.220 159 A CA 0.634 52.447 52.037 -0.373 0.000 0.900 159 A CB -0.517 18.287 19.000 -0.327 0.000 0.937 159 A HN 0.309 nan 8.150 nan 0.000 0.487 160 D N 0.780 121.097 120.400 -0.139 0.000 2.358 160 D HA 0.390 5.035 4.640 0.009 0.000 0.258 160 D C 1.196 177.448 176.300 -0.080 0.000 1.223 160 D CA 0.247 54.198 54.000 -0.082 0.000 0.886 160 D CB 0.255 41.015 40.800 -0.066 0.000 1.120 160 D HN 0.541 nan 8.370 nan 0.000 0.482 161 S N 1.448 117.113 115.700 -0.058 0.000 2.406 161 S HA -0.117 4.359 4.470 0.009 0.000 0.228 161 S C 2.132 176.707 174.600 -0.041 0.000 1.020 161 S CA 0.502 58.672 58.200 -0.050 0.000 0.965 161 S CB -0.349 62.832 63.200 -0.033 0.000 0.798 161 S HN 0.613 nan 8.310 nan 0.000 0.488 162 L N 1.591 122.793 121.223 -0.035 0.000 2.081 162 L HA -0.042 4.303 4.340 0.009 0.000 0.212 162 L C 1.828 178.678 176.870 -0.033 0.000 1.080 162 L CA 1.302 56.124 54.840 -0.030 0.000 0.754 162 L CB -1.498 40.545 42.059 -0.025 0.000 0.893 162 L HN 0.439 nan 8.230 nan 0.000 0.433 163 V N 0.013 119.903 119.914 -0.041 0.000 3.319 163 V HA 0.418 4.544 4.120 0.009 0.000 0.303 163 V C 0.922 176.992 176.094 -0.039 0.000 1.094 163 V CA 0.068 62.344 62.300 -0.040 0.000 1.106 163 V CB -0.088 31.707 31.823 -0.047 0.000 1.099 163 V HN 0.075 nan 8.190 nan 0.000 0.476 164 L N 2.133 123.335 121.223 -0.036 0.000 2.678 164 L HA 0.502 4.847 4.340 0.009 0.000 0.285 164 L C 1.009 177.855 176.870 -0.039 0.000 1.233 164 L CA 0.699 55.518 54.840 -0.034 0.000 0.920 164 L CB -2.020 40.019 42.059 -0.032 0.000 1.176 164 L HN 1.625 nan 8.230 nan 0.000 0.495 165 K N 3.663 124.041 120.400 -0.036 0.000 2.229 165 K HA 0.554 4.880 4.320 0.009 0.000 0.247 165 K C 0.404 176.982 176.600 -0.037 0.000 1.117 165 K CA 0.185 56.449 56.287 -0.039 0.000 1.036 165 K CB -0.521 31.958 32.500 -0.036 0.000 1.654 165 K HN 0.997 nan 8.250 nan 0.000 0.405 166 T N 0.987 115.517 114.554 -0.040 0.000 2.910 166 T HA 0.343 4.699 4.350 0.009 0.000 0.293 166 T C 1.685 176.362 174.700 -0.039 0.000 1.015 166 T CA 0.282 62.360 62.100 -0.037 0.000 1.094 166 T CB 1.231 70.076 68.868 -0.038 0.000 0.968 166 T HN 0.681 nan 8.240 nan 0.000 0.521 167 D N 1.915 122.294 120.400 -0.034 0.000 2.178 167 D HA -0.063 4.582 4.640 0.009 0.000 0.202 167 D C 2.044 178.322 176.300 -0.036 0.000 0.974 167 D CA 1.051 55.030 54.000 -0.034 0.000 0.841 167 D CB -0.354 40.428 40.800 -0.030 0.000 0.953 167 D HN 0.381 nan 8.370 nan 0.000 0.478 168 V N 0.547 120.440 119.914 -0.036 0.000 2.231 168 V HA -0.041 4.084 4.120 0.009 0.000 0.240 168 V C 3.445 179.513 176.094 -0.043 0.000 1.039 168 V CA 2.575 64.853 62.300 -0.036 0.000 0.998 168 V CB -1.019 30.784 31.823 -0.033 0.000 0.639 168 V HN 0.696 nan 8.190 nan 0.000 0.451 169 Q N -0.387 119.386 119.800 -0.046 0.000 2.224 169 Q HA -0.318 4.028 4.340 0.009 0.000 0.213 169 Q C 1.968 177.929 176.000 -0.065 0.000 0.998 169 Q CA 2.840 58.611 55.803 -0.054 0.000 0.895 169 Q CB -1.135 27.570 28.738 -0.055 0.000 0.926 169 Q HN 0.757 nan 8.270 nan 0.000 0.417 170 I N -0.036 120.497 120.570 -0.061 0.000 2.252 170 I HA -0.265 3.911 4.170 0.009 0.000 0.245 170 I C 3.218 179.297 176.117 -0.065 0.000 1.102 170 I CA 1.616 62.875 61.300 -0.069 0.000 1.385 170 I CB -0.597 37.368 38.000 -0.058 0.000 1.064 170 I HN 0.660 nan 8.210 nan 0.000 0.414 171 Q N 1.121 120.891 119.800 -0.051 0.000 2.167 171 Q HA -0.191 4.155 4.340 0.009 0.000 0.202 171 Q C 2.408 178.380 176.000 -0.046 0.000 0.970 171 Q CA 1.983 57.760 55.803 -0.043 0.000 0.855 171 Q CB -0.997 27.720 28.738 -0.034 0.000 0.911 171 Q HN 0.638 nan 8.270 nan 0.000 0.438 172 K N 0.851 121.220 120.400 -0.052 0.000 2.228 172 K HA -0.046 4.280 4.320 0.009 0.000 0.202 172 K C 1.878 178.436 176.600 -0.070 0.000 1.051 172 K CA 1.272 57.527 56.287 -0.054 0.000 0.960 172 K CB -0.336 32.133 32.500 -0.052 0.000 0.743 172 K HN 0.581 nan 8.250 nan 0.000 0.458 173 D N 0.698 121.046 120.400 -0.087 0.000 2.137 173 D HA -0.077 4.569 4.640 0.009 0.000 0.202 173 D C 1.562 177.781 176.300 -0.135 0.000 0.970 173 D CA 0.640 54.565 54.000 -0.126 0.000 0.837 173 D CB -0.047 40.663 40.800 -0.151 0.000 0.981 173 D HN 0.311 nan 8.370 nan 0.000 0.475 174 N N 0.562 119.199 118.700 -0.104 0.000 2.364 174 N HA -0.066 4.680 4.740 0.009 0.000 0.183 174 N C 1.976 177.461 175.510 -0.042 0.000 1.022 174 N CA 0.273 53.274 53.050 -0.082 0.000 0.883 174 N CB 0.004 38.460 38.487 -0.053 0.000 0.965 174 N HN 0.282 nan 8.380 nan 0.000 0.438 175 L N 0.019 121.221 121.223 -0.036 0.000 2.027 175 L HA -0.090 4.255 4.340 0.009 0.000 0.206 175 L C 2.235 179.118 176.870 0.023 0.000 1.074 175 L CA 0.761 55.597 54.840 -0.006 0.000 0.745 175 L CB -0.595 41.454 42.059 -0.016 0.000 0.898 175 L HN -0.068 nan 8.230 nan 0.000 0.433 176 V N 0.175 120.088 119.914 -0.002 0.000 2.469 176 V HA -0.306 3.819 4.120 0.009 0.000 0.251 176 V C 2.510 178.664 176.094 0.100 0.000 1.064 176 V CA 1.730 64.062 62.300 0.053 0.000 1.066 176 V CB -0.567 31.240 31.823 -0.027 0.000 0.667 176 V HN 0.423 nan 8.190 nan 0.000 0.461 177 K N -0.317 120.076 120.400 -0.013 0.000 2.002 177 K HA -0.185 4.141 4.320 0.009 0.000 0.209 177 K C 1.976 178.728 176.600 0.253 0.000 1.048 177 K CA 1.761 58.080 56.287 0.055 0.000 0.930 177 K CB -0.344 32.092 32.500 -0.106 0.000 0.714 177 K HN 0.426 nan 8.250 nan 0.000 0.438 178 D N 0.546 121.038 120.400 0.153 0.000 2.178 178 D HA -0.128 4.517 4.640 0.009 0.000 0.201 178 D C 1.803 178.203 176.300 0.166 0.000 0.980 178 D CA 1.154 55.240 54.000 0.143 0.000 0.842 178 D CB -0.099 40.751 40.800 0.085 0.000 0.948 178 D HN 0.224 nan 8.370 nan 0.000 0.472 179 A N 0.928 123.867 122.820 0.199 0.000 1.877 179 A HA -0.134 4.191 4.320 0.009 0.000 0.216 179 A C 2.377 180.207 177.584 0.410 0.000 1.186 179 A CA 0.864 53.053 52.037 0.255 0.000 0.620 179 A CB -0.726 18.443 19.000 0.282 0.000 0.822 179 A HN 0.178 nan 8.150 nan 0.000 0.443 180 I N -1.259 119.603 120.570 0.487 0.000 2.286 180 I HA -0.244 3.932 4.170 0.009 0.000 0.248 180 I C 2.804 179.049 176.117 0.213 0.000 1.115 180 I CA 1.306 62.828 61.300 0.370 0.000 1.392 180 I CB -0.278 37.911 38.000 0.316 0.000 1.065 180 I HN 0.305 nan 8.210 nan 0.000 0.418 181 R N 0.559 121.185 120.500 0.209 0.000 2.066 181 R HA -0.068 4.278 4.340 0.009 0.000 0.232 181 R C 2.283 178.640 176.300 0.095 0.000 1.131 181 R CA 1.466 57.636 56.100 0.117 0.000 0.955 181 R CB -0.244 30.131 30.300 0.125 0.000 0.851 181 R HN 0.325 nan 8.270 nan 0.000 0.432 182 A N 0.273 123.162 122.820 0.115 0.000 2.167 182 A HA -0.026 4.300 4.320 0.009 0.000 0.214 182 A C 1.114 178.753 177.584 0.091 0.000 1.151 182 A CA 0.919 53.008 52.037 0.086 0.000 0.735 182 A CB -0.029 19.016 19.000 0.074 0.000 0.802 182 A HN 0.254 nan 8.150 nan 0.000 0.467 183 N N -0.385 118.396 118.700 0.135 0.000 2.905 183 N HA 0.050 4.796 4.740 0.009 0.000 0.237 183 N C -0.218 175.374 175.510 0.137 0.000 1.017 183 N CA 0.881 54.018 53.050 0.145 0.000 1.127 183 N CB 0.093 38.697 38.487 0.195 0.000 1.608 183 N HN 0.267 nan 8.380 nan 0.000 0.522 184 D N 0.337 120.825 120.400 0.146 0.000 2.593 184 D HA 0.153 4.799 4.640 0.009 0.000 0.241 184 D C 1.096 177.338 176.300 -0.096 0.000 1.257 184 D CA -0.064 53.961 54.000 0.041 0.000 0.828 184 D CB 0.708 41.562 40.800 0.091 0.000 1.049 184 D HN 0.192 nan 8.370 nan 0.000 0.490 185 M N 0.342 119.913 119.600 -0.049 0.000 2.156 185 M HA -0.157 4.329 4.480 0.009 0.000 0.264 185 M C 1.622 177.888 176.300 -0.057 0.000 1.067 185 M CA 1.264 56.520 55.300 -0.073 0.000 1.131 185 M CB 0.182 32.757 32.600 -0.042 0.000 1.368 185 M HN -0.158 nan 8.290 nan 0.000 0.416 186 S N 1.271 116.958 115.700 -0.021 0.000 2.402 186 S HA -0.192 4.283 4.470 0.009 0.000 0.233 186 S C 1.408 176.013 174.600 0.008 0.000 1.030 186 S CA 1.743 59.939 58.200 -0.006 0.000 1.003 186 S CB -0.737 62.468 63.200 0.007 0.000 0.813 186 S HN 0.725 nan 8.310 nan 0.000 0.477 187 D N 0.592 121.000 120.400 0.014 0.000 2.327 187 D HA 0.050 4.695 4.640 0.009 0.000 0.205 187 D C 1.797 178.137 176.300 0.067 0.000 0.989 187 D CA 0.263 54.296 54.000 0.055 0.000 0.873 187 D CB -0.228 40.611 40.800 0.064 0.000 0.955 187 D HN 0.399 nan 8.370 nan 0.000 0.515 188 I N 1.088 121.642 120.570 -0.028 0.000 2.252 188 I HA -0.216 3.959 4.170 0.009 0.000 0.245 188 I C 2.506 178.602 176.117 -0.034 0.000 1.102 188 I CA 0.717 61.987 61.300 -0.050 0.000 1.385 188 I CB 0.022 37.857 38.000 -0.275 0.000 1.064 188 I HN -0.101 nan 8.210 nan 0.000 0.414 189 V N -0.507 119.357 119.914 -0.083 0.000 2.453 189 V HA -0.229 3.897 4.120 0.009 0.000 0.247 189 V C 2.521 178.666 176.094 0.084 0.000 1.048 189 V CA 1.930 64.178 62.300 -0.086 0.000 1.049 189 V CB -0.556 31.228 31.823 -0.064 0.000 0.672 189 V HN 0.402 nan 8.190 nan 0.000 0.457 190 S N -0.495 115.271 115.700 0.109 0.000 2.382 190 S HA -0.191 4.285 4.470 0.009 0.000 0.228 190 S C 1.877 176.604 174.600 0.211 0.000 1.027 190 S CA 1.627 59.920 58.200 0.155 0.000 0.991 190 S CB -0.410 62.856 63.200 0.110 0.000 0.823 190 S HN 0.533 nan 8.310 nan 0.000 0.469 191 F N 1.819 121.799 119.950 0.050 0.000 2.075 191 F HA -0.067 4.466 4.527 0.009 0.000 0.297 191 F C 2.270 178.104 175.800 0.056 0.000 1.113 191 F CA 1.530 59.546 58.000 0.025 0.000 1.218 191 F CB -0.761 38.225 39.000 -0.023 0.000 0.984 191 F HN 0.019 nan 8.300 nan 0.000 0.472 192 V N -0.430 119.606 119.914 0.203 0.000 2.287 192 V HA -0.352 3.774 4.120 0.009 0.000 0.248 192 V C 2.070 178.237 176.094 0.122 0.000 1.053 192 V CA 2.285 64.650 62.300 0.110 0.000 1.027 192 V CB -1.061 30.711 31.823 -0.085 0.000 0.646 192 V HN 0.538 nan 8.190 nan 0.000 0.447 193 Y N 1.431 121.800 120.300 0.115 0.000 2.053 193 Y HA -0.335 4.221 4.550 0.010 0.000 0.277 193 Y C 2.623 178.547 175.900 0.041 0.000 1.159 193 Y CA 2.489 60.675 58.100 0.143 0.000 1.125 193 Y CB -0.432 38.096 38.460 0.114 0.000 0.969 193 Y HN 0.303 nan 8.280 nan 0.000 0.492 194 E N 0.288 120.486 120.200 -0.003 0.000 2.114 194 E HA -0.262 4.094 4.350 0.009 0.000 0.199 194 E C 2.076 178.526 176.600 -0.250 0.000 1.008 194 E CA 2.389 58.706 56.400 -0.138 0.000 0.810 194 E CB -0.424 29.203 29.700 -0.121 0.000 0.739 194 E HN 0.643 nan 8.360 nan 0.000 0.456 195 M N -1.045 118.435 119.600 -0.200 0.000 2.086 195 M HA -0.144 4.342 4.480 0.009 0.000 0.261 195 M C 2.535 178.853 176.300 0.030 0.000 1.067 195 M CA 1.462 56.721 55.300 -0.068 0.000 1.116 195 M CB -0.427 32.217 32.600 0.073 0.000 1.348 195 M HN 0.196 nan 8.290 nan 0.000 0.407 196 M N 0.242 119.830 119.600 -0.019 0.000 2.086 196 M HA -0.221 4.264 4.480 0.009 0.000 0.261 196 M C 2.269 178.543 176.300 -0.043 0.000 1.067 196 M CA 1.516 56.837 55.300 0.035 0.000 1.116 196 M CB -0.349 32.265 32.600 0.024 0.000 1.348 196 M HN 0.233 nan 8.290 nan 0.000 0.407 197 L N 0.298 121.334 121.223 -0.312 0.000 2.017 197 L HA -0.122 4.224 4.340 0.009 0.000 0.208 197 L C 2.399 179.174 176.870 -0.157 0.000 1.073 197 L CA 2.279 56.950 54.840 -0.282 0.000 0.745 197 L CB -0.992 40.792 42.059 -0.459 0.000 0.894 197 L HN 0.224 nan 8.230 nan 0.000 0.432 198 A N -1.132 121.557 122.820 -0.219 0.000 1.828 198 A HA -0.244 4.081 4.320 0.009 0.000 0.215 198 A C 2.169 179.596 177.584 -0.262 0.000 1.203 198 A CA 1.883 53.747 52.037 -0.288 0.000 0.614 198 A CB -1.470 17.248 19.000 -0.470 0.000 0.844 198 A HN 0.533 nan 8.150 nan 0.000 0.445 199 Y N 0.287 120.527 120.300 -0.100 0.000 2.384 199 Y HA -0.176 4.379 4.550 0.009 0.000 0.289 199 Y C 3.090 178.910 175.900 -0.134 0.000 1.152 199 Y CA 1.157 59.190 58.100 -0.111 0.000 1.258 199 Y CB -0.217 38.184 38.460 -0.098 0.000 0.979 199 Y HN 0.377 nan 8.280 nan 0.000 0.549 200 S N 0.153 115.879 115.700 0.044 0.000 2.345 200 S HA -0.190 4.285 4.470 0.009 0.000 0.220 200 S C 2.037 176.632 174.600 -0.008 0.000 1.031 200 S CA 1.425 59.652 58.200 0.045 0.000 0.996 200 S CB -0.283 63.055 63.200 0.230 0.000 0.882 200 S HN 0.474 nan 8.310 nan 0.000 0.445 201 N N 1.437 120.125 118.700 -0.020 0.000 2.223 201 N HA 0.024 4.770 4.740 0.009 0.000 0.185 201 N C 1.574 177.041 175.510 -0.071 0.000 1.016 201 N CA 1.131 54.161 53.050 -0.034 0.000 0.863 201 N CB -0.495 37.966 38.487 -0.044 0.000 0.983 201 N HN 0.503 nan 8.380 nan 0.000 0.429 202 A N 0.719 123.482 122.820 -0.094 0.000 2.235 202 A HA 0.001 4.327 4.320 0.009 0.000 0.208 202 A C 0.559 178.043 177.584 -0.167 0.000 1.172 202 A CA 0.353 52.329 52.037 -0.101 0.000 0.786 202 A CB 0.028 18.986 19.000 -0.069 0.000 0.804 202 A HN 0.093 nan 8.150 nan 0.000 0.479 203 K N -0.400 119.835 120.400 -0.276 0.000 3.160 203 K HA -0.164 4.162 4.320 0.009 0.000 0.280 203 K C -0.304 175.841 176.600 -0.757 0.000 1.154 203 K CA 0.861 56.786 56.287 -0.603 0.000 0.822 203 K CB -2.255 30.034 32.500 -0.351 0.000 1.239 203 K HN 0.646 nan 8.250 nan 0.000 0.489 204 N N 0.893 119.324 118.700 -0.448 0.000 2.868 204 N HA 0.107 4.853 4.740 0.009 0.000 0.252 204 N C 0.729 176.071 175.510 -0.281 0.000 1.130 204 N CA -0.110 52.777 53.050 -0.271 0.000 1.026 204 N CB -0.094 38.376 38.487 -0.028 0.000 1.335 204 N HN 0.214 nan 8.380 nan 0.000 0.516 205 Y N 0.588 120.835 120.300 -0.090 0.000 2.421 205 Y HA -0.041 4.515 4.550 0.010 0.000 0.292 205 Y C 2.283 178.104 175.900 -0.132 0.000 1.136 205 Y CA 0.663 58.681 58.100 -0.137 0.000 1.255 205 Y CB 0.111 38.491 38.460 -0.135 0.000 0.991 205 Y HN 0.460 nan 8.280 nan 0.000 0.552 206 G N -0.078 108.723 108.800 0.001 0.000 2.480 206 G HA2 -0.267 3.699 3.960 0.009 0.000 0.216 206 G HA3 -0.267 3.699 3.960 0.009 0.000 0.216 206 G C 1.731 176.574 174.900 -0.094 0.000 1.200 206 G CA 1.709 46.782 45.100 -0.046 0.000 0.782 206 G HN 0.278 nan 8.290 nan 0.000 0.554 207 T N 0.802 115.246 114.554 -0.184 0.000 2.777 207 T HA -0.084 4.272 4.350 0.009 0.000 0.266 207 T C 2.586 177.216 174.700 -0.117 0.000 1.040 207 T CA 1.184 63.137 62.100 -0.245 0.000 1.141 207 T CB -0.258 68.225 68.868 -0.640 0.000 0.868 207 T HN 0.055 nan 8.240 nan 0.000 0.444 208 V N 1.566 121.437 119.914 -0.072 0.000 2.392 208 V HA -0.143 3.982 4.120 0.009 0.000 0.249 208 V C 2.796 178.875 176.094 -0.024 0.000 1.059 208 V CA 1.879 64.165 62.300 -0.023 0.000 1.051 208 V CB -1.488 30.270 31.823 -0.107 0.000 0.658 208 V HN 0.580 nan 8.190 nan 0.000 0.455 209 G N 0.029 108.804 108.800 -0.042 0.000 2.511 209 G HA2 -0.245 3.720 3.960 0.009 0.000 0.216 209 G HA3 -0.245 3.720 3.960 0.009 0.000 0.216 209 G C 1.577 176.474 174.900 -0.005 0.000 1.218 209 G CA 1.107 46.188 45.100 -0.032 0.000 0.788 209 G HN 0.447 nan 8.290 nan 0.000 0.560 210 L N -0.100 121.111 121.223 -0.020 0.000 2.089 210 L HA -0.223 4.123 4.340 0.009 0.000 0.213 210 L C 3.116 179.990 176.870 0.007 0.000 1.079 210 L CA 1.108 55.937 54.840 -0.018 0.000 0.758 210 L CB -0.505 41.527 42.059 -0.045 0.000 0.891 210 L HN 0.323 nan 8.230 nan 0.000 0.433 211 C N -0.356 118.968 119.300 0.039 0.000 2.436 211 C HA -0.162 4.304 4.460 0.009 0.000 0.277 211 C C 2.690 177.789 174.990 0.181 0.000 1.241 211 C CA 0.480 59.559 59.018 0.100 0.000 1.721 211 C CB -0.773 27.064 27.740 0.161 0.000 2.043 211 C HN 0.433 nan 8.230 nan 0.000 0.472 212 L N 0.543 121.872 121.223 0.177 0.000 2.189 212 L HA -0.260 4.086 4.340 0.009 0.000 0.214 212 L C 2.723 179.686 176.870 0.154 0.000 1.097 212 L CA 1.470 56.424 54.840 0.190 0.000 0.764 212 L CB -0.622 41.506 42.059 0.114 0.000 0.900 212 L HN 0.551 nan 8.230 nan 0.000 0.436 213 Q N -0.867 118.989 119.800 0.094 0.000 1.994 213 Q HA -0.144 4.202 4.340 0.009 0.000 0.198 213 Q C 2.373 178.425 176.000 0.088 0.000 0.976 213 Q CA 1.461 57.311 55.803 0.079 0.000 0.828 213 Q CB -0.346 28.419 28.738 0.045 0.000 0.894 213 Q HN 0.324 nan 8.270 nan 0.000 0.432 214 V N 0.625 120.544 119.914 0.008 0.000 2.277 214 V HA -0.337 3.789 4.120 0.009 0.000 0.253 214 V C 1.956 177.983 176.094 -0.112 0.000 1.067 214 V CA 2.127 64.344 62.300 -0.139 0.000 1.047 214 V CB -0.920 30.685 31.823 -0.364 0.000 0.649 214 V HN 0.343 nan 8.190 nan 0.000 0.447 215 Y N 0.252 120.529 120.300 -0.039 0.000 2.181 215 Y HA -0.191 4.365 4.550 0.009 0.000 0.288 215 Y C 2.520 178.457 175.900 0.062 0.000 1.146 215 Y CA 1.635 59.734 58.100 -0.001 0.000 1.164 215 Y CB -0.553 37.905 38.460 -0.003 0.000 0.982 215 Y HN 0.208 nan 8.280 nan 0.000 0.515 216 A N -0.105 122.849 122.820 0.223 0.000 1.845 216 A HA -0.315 4.010 4.320 0.009 0.000 0.215 216 A C 2.132 179.834 177.584 0.196 0.000 1.195 216 A CA 1.981 54.119 52.037 0.168 0.000 0.616 216 A CB -1.095 17.980 19.000 0.125 0.000 0.832 216 A HN 0.546 nan 8.150 nan 0.000 0.443 217 Q N -1.567 118.375 119.800 0.236 0.000 2.045 217 Q HA -0.253 4.093 4.340 0.009 0.000 0.206 217 Q C 1.829 178.079 176.000 0.416 0.000 0.991 217 Q CA 2.409 58.398 55.803 0.311 0.000 0.851 217 Q CB -0.316 28.648 28.738 0.377 0.000 0.911 217 Q HN 0.748 nan 8.270 nan 0.000 0.418 218 W N -0.262 121.088 121.300 0.084 0.000 2.467 218 W HA -0.008 4.657 4.660 0.009 0.000 0.275 218 W C 2.132 178.531 176.519 -0.199 0.000 1.239 218 W CA 0.244 57.563 57.345 -0.044 0.000 1.266 218 W CB -0.631 28.709 29.460 -0.201 0.000 1.112 218 W HN 0.042 nan 8.180 nan 0.000 0.576 219 V N 1.100 121.110 119.914 0.161 0.000 2.380 219 V HA -0.381 3.745 4.120 0.009 0.000 0.251 219 V C 2.507 178.634 176.094 0.056 0.000 1.063 219 V CA 2.455 64.804 62.300 0.082 0.000 1.055 219 V CB -1.361 30.529 31.823 0.112 0.000 0.657 219 V HN 0.347 nan 8.190 nan 0.000 0.455 220 S N 0.174 115.953 115.700 0.131 0.000 2.387 220 S HA -0.230 4.246 4.470 0.009 0.000 0.230 220 S C 1.271 175.992 174.600 0.202 0.000 1.035 220 S CA 1.768 60.068 58.200 0.167 0.000 1.014 220 S CB -0.435 62.892 63.200 0.212 0.000 0.836 220 S HN 0.936 nan 8.310 nan 0.000 0.466 221 W N 1.758 123.055 121.300 -0.004 0.000 1.232 221 W HA 0.662 5.328 4.660 0.009 0.000 0.294 221 W C -0.689 175.824 176.519 -0.010 0.000 0.854 221 W CA -1.527 55.799 57.345 -0.031 0.000 2.354 221 W CB -0.954 28.449 29.460 -0.096 0.000 1.496 221 W HN 0.302 nan 8.180 nan 0.000 0.511 222 I N -1.444 118.879 120.570 -0.411 0.000 3.174 222 I HA 0.538 4.714 4.170 0.009 0.000 0.313 222 I C -0.064 175.955 176.117 -0.162 0.000 1.155 222 I CA -1.254 59.794 61.300 -0.420 0.000 0.977 222 I CB 1.688 39.380 38.000 -0.514 0.000 1.248 222 I HN -0.194 nan 8.210 nan 0.000 0.453 223 N N 2.508 121.139 118.700 -0.115 0.000 2.394 223 N HA -0.048 4.698 4.740 0.009 0.000 0.277 223 N C 0.681 176.172 175.510 -0.033 0.000 1.346 223 N CA 0.475 53.495 53.050 -0.050 0.000 0.910 223 N CB 0.359 38.825 38.487 -0.035 0.000 1.201 223 N HN 0.842 nan 8.380 nan 0.000 0.488 224 I N 4.339 124.899 120.570 -0.017 0.000 2.315 224 I HA -0.354 3.822 4.170 0.009 0.000 0.251 224 I C 1.562 177.682 176.117 0.005 0.000 1.125 224 I CA 1.307 62.607 61.300 0.000 0.000 1.392 224 I CB -0.049 37.954 38.000 0.005 0.000 1.065 224 I HN 0.514 nan 8.210 nan 0.000 0.424 225 N N 0.668 119.367 118.700 -0.002 0.000 2.094 225 N HA -0.205 4.541 4.740 0.009 0.000 0.191 225 N C 1.863 177.371 175.510 -0.004 0.000 1.023 225 N CA 1.804 54.851 53.050 -0.005 0.000 0.857 225 N CB -0.555 37.927 38.487 -0.008 0.000 1.013 225 N HN 0.425 nan 8.380 nan 0.000 0.426 226 L N 0.458 121.681 121.223 0.001 0.000 2.083 226 L HA -0.089 4.256 4.340 0.009 0.000 0.209 226 L C 2.111 179.014 176.870 0.055 0.000 1.083 226 L CA 0.981 55.828 54.840 0.012 0.000 0.752 226 L CB -0.364 41.700 42.059 0.008 0.000 0.899 226 L HN 0.098 nan 8.230 nan 0.000 0.433 227 I N -0.964 119.653 120.570 0.079 0.000 2.584 227 I HA -0.099 4.077 4.170 0.009 0.000 0.255 227 I C 1.180 177.301 176.117 0.006 0.000 1.145 227 I CA 0.424 61.795 61.300 0.119 0.000 1.462 227 I CB 0.276 38.386 38.000 0.183 0.000 1.102 227 I HN -0.024 nan 8.210 nan 0.000 0.433 228 V N 2.905 122.817 119.914 -0.003 0.000 3.140 228 V HA 0.084 4.210 4.120 0.009 0.000 0.379 228 V C 0.025 176.107 176.094 -0.020 0.000 1.296 228 V CA -0.420 61.869 62.300 -0.017 0.000 1.351 228 V CB -1.788 30.032 31.823 -0.005 0.000 1.311 228 V HN 0.460 nan 8.190 nan 0.000 0.508 229 N N 0.474 119.151 118.700 -0.039 0.000 2.424 229 N HA 0.281 5.027 4.740 0.009 0.000 0.257 229 N C 1.273 176.754 175.510 -0.047 0.000 1.250 229 N CA 0.296 53.314 53.050 -0.054 0.000 0.946 229 N CB 0.617 39.048 38.487 -0.093 0.000 1.175 229 N HN 0.217 nan 8.380 nan 0.000 0.477 230 E N 0.297 120.469 120.200 -0.047 0.000 2.038 230 E HA -0.136 4.219 4.350 0.009 0.000 0.195 230 E C -0.717 175.862 176.600 -0.035 0.000 1.000 230 E CA 1.913 58.292 56.400 -0.036 0.000 0.803 230 E CB -2.451 27.224 29.700 -0.042 0.000 0.750 230 E HN 0.834 nan 8.360 nan 0.000 0.448 231 P HA -0.129 nan 4.420 nan 0.000 0.218 231 P C 1.971 179.287 177.300 0.027 0.000 1.149 231 P CA 1.503 64.578 63.100 -0.042 0.000 0.817 231 P CB -0.304 31.327 31.700 -0.115 0.000 0.785 232 C N -0.896 118.389 119.300 -0.025 0.000 2.486 232 C HA 0.013 4.479 4.460 0.009 0.000 0.279 232 C C 2.697 177.648 174.990 -0.066 0.000 1.302 232 C CA 0.450 59.510 59.018 0.070 0.000 1.720 232 C CB -1.739 25.989 27.740 -0.021 0.000 2.030 232 C HN 0.039 nan 8.230 nan 0.000 0.490 233 M N 1.948 121.526 119.600 -0.036 0.000 2.065 233 M HA -0.104 4.382 4.480 0.009 0.000 0.259 233 M C 1.924 178.311 176.300 0.145 0.000 1.069 233 M CA 1.699 57.015 55.300 0.027 0.000 1.110 233 M CB -1.774 30.968 32.600 0.235 0.000 1.328 233 M HN 0.503 nan 8.290 nan 0.000 0.405 234 N N 0.776 119.556 118.700 0.133 0.000 2.091 234 N HA -0.202 4.544 4.740 0.009 0.000 0.193 234 N C 1.725 177.219 175.510 -0.026 0.000 1.021 234 N CA 1.238 54.343 53.050 0.093 0.000 0.862 234 N CB -0.739 37.750 38.487 0.004 0.000 1.018 234 N HN 0.240 nan 8.380 nan 0.000 0.429 235 L N 1.261 122.392 121.223 -0.154 0.000 2.131 235 L HA -0.021 4.324 4.340 0.009 0.000 0.210 235 L C 2.073 178.433 176.870 -0.850 0.000 1.092 235 L CA 1.144 55.720 54.840 -0.439 0.000 0.759 235 L CB -0.537 41.285 42.059 -0.394 0.000 0.903 235 L HN 0.133 nan 8.230 nan 0.000 0.435 236 L N -2.137 118.721 121.223 -0.608 0.000 1.993 236 L HA -0.230 4.115 4.340 0.009 0.000 0.206 236 L C 2.499 179.094 176.870 -0.459 0.000 1.074 236 L CA 1.422 55.880 54.840 -0.636 0.000 0.746 236 L CB -0.891 40.815 42.059 -0.588 0.000 0.896 236 L HN 0.183 nan 8.230 nan 0.000 0.435 237 Y N 0.583 120.716 120.300 -0.279 0.000 2.173 237 Y HA -0.357 4.199 4.550 0.009 0.000 0.282 237 Y C 3.103 178.917 175.900 -0.143 0.000 1.192 237 Y CA 1.718 59.686 58.100 -0.219 0.000 1.176 237 Y CB -0.913 37.450 38.460 -0.162 0.000 0.969 237 Y HN 0.367 nan 8.280 nan 0.000 0.519 238 S N -0.231 115.464 115.700 -0.009 0.000 2.356 238 S HA -0.233 4.243 4.470 0.009 0.000 0.223 238 S C 1.905 176.612 174.600 0.178 0.000 1.032 238 S CA 1.215 59.447 58.200 0.052 0.000 1.005 238 S CB -1.367 61.838 63.200 0.008 0.000 0.867 238 S HN 0.536 nan 8.310 nan 0.000 0.449 239 F N 1.517 121.437 119.950 -0.051 0.000 2.373 239 F HA 0.007 4.540 4.527 0.010 0.000 0.300 239 F C 1.973 177.724 175.800 -0.081 0.000 1.080 239 F CA 0.324 58.284 58.000 -0.067 0.000 1.417 239 F CB -0.353 38.590 39.000 -0.095 0.000 1.070 239 F HN 0.231 nan 8.300 nan 0.000 0.546 240 L N -0.290 120.975 121.223 0.071 0.000 2.549 240 L HA -0.160 4.186 4.340 0.009 0.000 0.229 240 L C 1.018 178.014 176.870 0.210 0.000 1.158 240 L CA 1.063 55.912 54.840 0.015 0.000 0.842 240 L CB -0.351 41.486 42.059 -0.370 0.000 0.952 240 L HN 0.252 nan 8.230 nan 0.000 0.452 241 Q N -0.425 119.455 119.800 0.135 0.000 2.135 241 Q HA 0.304 4.650 4.340 0.009 0.000 0.231 241 Q C -0.773 175.233 176.000 0.011 0.000 0.817 241 Q CA -0.140 55.713 55.803 0.085 0.000 1.073 241 Q CB 1.144 29.939 28.738 0.096 0.000 1.176 241 Q HN 0.246 nan 8.270 nan 0.000 0.478 242 I N 1.564 122.121 120.570 -0.023 0.000 2.411 242 I HA 0.033 4.209 4.170 0.009 0.000 0.284 242 I C 1.079 177.068 176.117 -0.213 0.000 1.012 242 I CA -0.358 60.875 61.300 -0.113 0.000 1.119 242 I CB 1.447 39.373 38.000 -0.123 0.000 1.261 242 I HN 0.122 nan 8.210 nan 0.000 0.448 243 E N 3.963 124.028 120.200 -0.224 0.000 2.095 243 E HA -0.347 4.008 4.350 0.009 0.000 0.212 243 E C 0.893 177.323 176.600 -0.284 0.000 1.044 243 E CA 1.888 58.145 56.400 -0.238 0.000 0.857 243 E CB -0.172 29.409 29.700 -0.199 0.000 0.764 243 E HN 0.615 nan 8.360 nan 0.000 0.462 244 E N 0.773 120.706 120.200 -0.444 0.000 2.097 244 E HA -0.116 4.239 4.350 0.009 0.000 0.196 244 E C 2.065 178.408 176.600 -0.428 0.000 1.000 244 E CA 1.262 57.338 56.400 -0.540 0.000 0.804 244 E CB -0.103 28.916 29.700 -1.136 0.000 0.740 244 E HN 0.365 nan 8.360 nan 0.000 0.454 245 L N -0.396 120.560 121.223 -0.445 0.000 2.640 245 L HA 0.238 4.584 4.340 0.009 0.000 0.230 245 L C 1.889 178.661 176.870 -0.163 0.000 1.123 245 L CA -0.123 54.528 54.840 -0.315 0.000 0.900 245 L CB 0.020 41.786 42.059 -0.488 0.000 1.146 245 L HN -0.023 nan 8.230 nan 0.000 0.484 246 R N -0.101 120.326 120.500 -0.121 0.000 2.113 246 R HA -0.211 4.134 4.340 0.009 0.000 0.244 246 R C 2.339 178.657 176.300 0.030 0.000 1.142 246 R CA 2.122 58.230 56.100 0.013 0.000 0.953 246 R CB -0.745 29.559 30.300 0.007 0.000 0.860 246 R HN 0.402 nan 8.270 nan 0.000 0.438 247 C N -0.354 118.879 119.300 -0.112 0.000 2.508 247 C HA 0.034 4.499 4.460 0.009 0.000 0.280 247 C C 2.949 177.741 174.990 -0.330 0.000 1.262 247 C CA 0.526 59.288 59.018 -0.427 0.000 1.706 247 C CB -1.087 26.251 27.740 -0.671 0.000 2.078 247 C HN 0.630 nan 8.230 nan 0.000 0.480 248 A N 0.964 123.668 122.820 -0.194 0.000 1.940 248 A HA -0.170 4.156 4.320 0.009 0.000 0.221 248 A C 2.334 179.884 177.584 -0.058 0.000 1.190 248 A CA 2.688 54.670 52.037 -0.091 0.000 0.647 248 A CB -1.083 17.882 19.000 -0.059 0.000 0.821 248 A HN 0.668 nan 8.150 nan 0.000 0.457 249 A N -1.460 121.327 122.820 -0.055 0.000 1.908 249 A HA -0.188 4.138 4.320 0.009 0.000 0.218 249 A C 2.271 179.782 177.584 -0.122 0.000 1.181 249 A CA 1.747 53.754 52.037 -0.051 0.000 0.627 249 A CB -1.216 17.778 19.000 -0.011 0.000 0.818 249 A HN 0.642 nan 8.150 nan 0.000 0.445 250 C N -0.527 118.706 119.300 -0.111 0.000 2.448 250 C HA 0.017 4.482 4.460 0.009 0.000 0.280 250 C C 2.508 177.492 174.990 -0.010 0.000 1.398 250 C CA 0.822 59.790 59.018 -0.084 0.000 1.774 250 C CB -1.158 26.583 27.740 0.002 0.000 1.888 250 C HN 0.646 nan 8.230 nan 0.000 0.519 251 E N -0.350 119.857 120.200 0.011 0.000 2.112 251 E HA -0.149 4.206 4.350 0.009 0.000 0.190 251 E C 2.234 178.853 176.600 0.032 0.000 0.979 251 E CA 1.323 57.763 56.400 0.066 0.000 0.814 251 E CB -0.309 29.445 29.700 0.091 0.000 0.762 251 E HN 0.548 nan 8.360 nan 0.000 0.460 252 T N 0.438 114.995 114.554 0.006 0.000 2.896 252 T HA -0.066 4.290 4.350 0.009 0.000 0.263 252 T C 1.884 176.560 174.700 -0.039 0.000 1.050 252 T CA 0.513 62.621 62.100 0.012 0.000 1.140 252 T CB 0.026 68.908 68.868 0.024 0.000 0.877 252 T HN -0.060 nan 8.240 nan 0.000 0.457 253 M N 1.332 120.873 119.600 -0.099 0.000 2.106 253 M HA -0.087 4.399 4.480 0.009 0.000 0.259 253 M C 2.380 178.636 176.300 -0.074 0.000 1.068 253 M CA 1.719 56.929 55.300 -0.150 0.000 1.100 253 M CB -1.637 30.825 32.600 -0.231 0.000 1.351 253 M HN 0.318 nan 8.290 nan 0.000 0.404 254 T N 0.322 114.856 114.554 -0.033 0.000 2.595 254 T HA -0.160 4.196 4.350 0.009 0.000 0.264 254 T C 1.664 176.368 174.700 0.007 0.000 1.058 254 T CA 1.433 63.532 62.100 -0.001 0.000 1.166 254 T CB -0.281 68.598 68.868 0.018 0.000 0.863 254 T HN 0.297 nan 8.240 nan 0.000 0.415 255 E N 0.950 121.163 120.200 0.022 0.000 2.136 255 E HA -0.144 4.212 4.350 0.009 0.000 0.202 255 E C 2.195 178.815 176.600 0.033 0.000 1.019 255 E CA 1.027 57.451 56.400 0.041 0.000 0.819 255 E CB -0.585 29.156 29.700 0.068 0.000 0.739 255 E HN 0.562 nan 8.360 nan 0.000 0.458 256 I N 0.321 120.898 120.570 0.012 0.000 2.226 256 I HA -0.225 3.951 4.170 0.009 0.000 0.245 256 I C 2.345 178.463 176.117 0.002 0.000 1.100 256 I CA 0.745 62.046 61.300 0.003 0.000 1.374 256 I CB -0.262 37.717 38.000 -0.035 0.000 1.057 256 I HN -0.054 nan 8.210 nan 0.000 0.413 257 V N 1.061 120.972 119.914 -0.005 0.000 2.667 257 V HA -0.181 3.945 4.120 0.009 0.000 0.252 257 V C 1.852 177.948 176.094 0.002 0.000 1.065 257 V CA 1.537 63.837 62.300 -0.002 0.000 1.083 257 V CB -0.703 31.118 31.823 -0.002 0.000 0.692 257 V HN 0.467 nan 8.190 nan 0.000 0.468 258 N N -0.499 118.208 118.700 0.010 0.000 2.422 258 N HA -0.005 4.741 4.740 0.009 0.000 0.181 258 N C 0.981 176.505 175.510 0.025 0.000 1.080 258 N CA 0.111 53.170 53.050 0.015 0.000 0.893 258 N CB -0.003 38.496 38.487 0.021 0.000 0.973 258 N HN 0.362 nan 8.380 nan 0.000 0.456 259 K N 2.549 122.966 120.400 0.029 0.000 2.437 259 K HA -0.073 4.252 4.320 0.009 0.000 0.277 259 K C 0.207 176.824 176.600 0.029 0.000 1.073 259 K CA 0.318 56.626 56.287 0.036 0.000 1.105 259 K CB 0.282 32.802 32.500 0.033 0.000 0.881 259 K HN 0.030 nan 8.250 nan 0.000 0.475 260 K N 5.008 125.429 120.400 0.034 0.000 2.401 260 K HA 0.088 4.414 4.320 0.009 0.000 0.278 260 K C 0.130 176.746 176.600 0.026 0.000 1.018 260 K CA 0.274 56.578 56.287 0.028 0.000 0.981 260 K CB 0.384 32.903 32.500 0.032 0.000 0.933 260 K HN 0.601 nan 8.250 nan 0.000 0.477 261 M N -0.496 119.116 119.600 0.020 0.000 3.147 261 M HA 0.326 4.811 4.480 0.009 0.000 0.276 261 M C -1.124 175.186 176.300 0.016 0.000 1.211 261 M CA -1.269 54.042 55.300 0.019 0.000 0.820 261 M CB 0.498 33.108 32.600 0.017 0.000 1.621 261 M HN 0.290 nan 8.290 nan 0.000 0.507 262 K N 1.215 121.624 120.400 0.015 0.000 2.451 262 K HA 0.358 4.683 4.320 0.009 0.000 0.280 262 K C -1.997 174.611 176.600 0.013 0.000 1.020 262 K CA -0.624 55.671 56.287 0.014 0.000 1.008 262 K CB -1.237 31.271 32.500 0.014 0.000 0.917 262 K HN 0.583 nan 8.250 nan 0.000 0.478 263 P HA -0.271 nan 4.420 nan 0.000 0.218 263 P C 1.684 178.993 177.300 0.014 0.000 1.154 263 P CA 2.338 65.446 63.100 0.013 0.000 0.872 263 P CB -0.226 31.483 31.700 0.014 0.000 0.790 264 L N -0.112 121.120 121.223 0.015 0.000 2.275 264 L HA -0.062 4.283 4.340 0.009 0.000 0.215 264 L C 2.508 179.387 176.870 0.015 0.000 1.119 264 L CA 2.105 56.955 54.840 0.016 0.000 0.790 264 L CB -2.124 39.944 42.059 0.015 0.000 0.919 264 L HN 0.051 nan 8.230 nan 0.000 0.443 265 E N -0.655 119.554 120.200 0.014 0.000 2.072 265 E HA -0.159 4.197 4.350 0.009 0.000 0.190 265 E C 2.249 178.857 176.600 0.013 0.000 0.982 265 E CA 0.958 57.366 56.400 0.013 0.000 0.803 265 E CB -0.026 29.681 29.700 0.013 0.000 0.755 265 E HN 0.608 nan 8.360 nan 0.000 0.453 266 K N 0.877 121.284 120.400 0.012 0.000 2.026 266 K HA -0.138 4.188 4.320 0.009 0.000 0.208 266 K C 2.288 178.896 176.600 0.013 0.000 1.048 266 K CA 0.536 56.829 56.287 0.011 0.000 0.929 266 K CB -0.536 31.967 32.500 0.005 0.000 0.713 266 K HN 0.070 nan 8.250 nan 0.000 0.439 267 L N 2.618 123.850 121.223 0.014 0.000 2.010 267 L HA -0.295 4.050 4.340 0.009 0.000 0.219 267 L C 1.780 178.665 176.870 0.026 0.000 1.077 267 L CA 1.866 56.718 54.840 0.020 0.000 0.773 267 L CB -0.737 41.337 42.059 0.024 0.000 0.892 267 L HN 0.228 nan 8.230 nan 0.000 0.436 268 N N -0.538 118.175 118.700 0.023 0.000 2.028 268 N HA -0.209 4.537 4.740 0.009 0.000 0.194 268 N C 1.836 177.362 175.510 0.026 0.000 1.050 268 N CA 1.729 54.793 53.050 0.024 0.000 0.848 268 N CB -0.853 37.645 38.487 0.018 0.000 1.038 268 N HN 0.339 nan 8.380 nan 0.000 0.423 269 L N 1.564 122.800 121.223 0.022 0.000 1.991 269 L HA -0.179 4.167 4.340 0.009 0.000 0.221 269 L C 2.205 179.094 176.870 0.032 0.000 1.079 269 L CA 1.544 56.398 54.840 0.023 0.000 0.778 269 L CB -1.190 40.879 42.059 0.016 0.000 0.893 269 L HN 0.129 nan 8.230 nan 0.000 0.437 270 L N 0.044 121.284 121.223 0.029 0.000 2.081 270 L HA -0.257 4.089 4.340 0.009 0.000 0.212 270 L C 2.377 179.279 176.870 0.053 0.000 1.080 270 L CA 1.860 56.721 54.840 0.035 0.000 0.754 270 L CB -1.148 40.923 42.059 0.020 0.000 0.893 270 L HN 0.490 nan 8.230 nan 0.000 0.433 271 N N -0.187 118.541 118.700 0.048 0.000 2.092 271 N HA -0.098 4.648 4.740 0.009 0.000 0.189 271 N C 1.894 177.438 175.510 0.055 0.000 1.040 271 N CA 1.717 54.801 53.050 0.056 0.000 0.845 271 N CB -0.225 38.292 38.487 0.050 0.000 1.017 271 N HN 0.374 nan 8.380 nan 0.000 0.426 272 I N 1.288 121.885 120.570 0.045 0.000 2.381 272 I HA -0.267 3.908 4.170 0.009 0.000 0.255 272 I C 1.580 177.740 176.117 0.071 0.000 1.140 272 I CA 0.778 62.102 61.300 0.039 0.000 1.404 272 I CB -0.263 37.757 38.000 0.034 0.000 1.075 272 I HN 0.135 nan 8.210 nan 0.000 0.433 273 L N 0.058 121.350 121.223 0.115 0.000 2.552 273 L HA -0.027 4.318 4.340 0.009 0.000 0.227 273 L C 0.664 177.670 176.870 0.226 0.000 1.146 273 L CA 0.092 55.074 54.840 0.237 0.000 0.858 273 L CB -0.834 41.309 42.059 0.139 0.000 0.969 273 L HN 0.298 nan 8.230 nan 0.000 0.451 274 N N 0.903 119.663 118.700 0.099 0.000 2.700 274 N HA -0.225 4.520 4.740 0.009 0.000 0.265 274 N C 0.715 176.291 175.510 0.111 0.000 0.975 274 N CA 0.441 53.529 53.050 0.065 0.000 0.800 274 N CB -0.805 37.656 38.487 -0.042 0.000 0.908 274 N HN 0.341 nan 8.380 nan 0.000 0.551 275 L N -0.500 120.810 121.223 0.145 0.000 2.492 275 L HA -0.003 4.343 4.340 0.009 0.000 0.223 275 L C 1.593 178.463 176.870 -0.000 0.000 1.132 275 L CA 0.181 55.041 54.840 0.033 0.000 0.850 275 L CB -0.146 41.904 42.059 -0.014 0.000 0.966 275 L HN 0.299 nan 8.230 nan 0.000 0.454 276 N N 0.594 119.458 118.700 0.274 0.000 2.205 276 N HA -0.168 4.577 4.740 0.009 0.000 0.186 276 N C 1.884 177.540 175.510 0.244 0.000 1.015 276 N CA 1.228 54.523 53.050 0.410 0.000 0.862 276 N CB -0.213 38.457 38.487 0.305 0.000 0.986 276 N HN 0.368 nan 8.380 nan 0.000 0.429 277 L N -0.398 120.916 121.223 0.151 0.000 2.083 277 L HA -0.125 4.220 4.340 0.009 0.000 0.209 277 L C 2.229 179.170 176.870 0.117 0.000 1.083 277 L CA 0.875 55.792 54.840 0.129 0.000 0.752 277 L CB -0.488 41.629 42.059 0.097 0.000 0.899 277 L HN 0.021 nan 8.230 nan 0.000 0.433 278 F N 0.552 120.434 119.950 -0.112 0.000 2.134 278 F HA -0.218 4.315 4.527 0.010 0.000 0.299 278 F C 2.134 177.837 175.800 -0.163 0.000 1.097 278 F CA 1.334 59.230 58.000 -0.173 0.000 1.264 278 F CB -0.410 38.379 39.000 -0.351 0.000 1.001 278 F HN -0.119 nan 8.300 nan 0.000 0.479 279 F N 0.205 120.116 119.950 -0.065 0.000 2.146 279 F HA -0.121 4.411 4.527 0.009 0.000 0.298 279 F C 2.925 178.618 175.800 -0.179 0.000 1.096 279 F CA 1.101 58.885 58.000 -0.360 0.000 1.275 279 F CB -1.197 37.321 39.000 -0.804 0.000 1.008 279 F HN 0.105 nan 8.300 nan 0.000 0.480 280 S N 0.382 116.204 115.700 0.203 0.000 2.374 280 S HA -0.278 4.198 4.470 0.009 0.000 0.227 280 S C 2.071 176.764 174.600 0.154 0.000 1.037 280 S CA 2.286 60.645 58.200 0.265 0.000 1.024 280 S CB -0.769 62.556 63.200 0.208 0.000 0.861 280 S HN 0.178 nan 8.310 nan 0.000 0.456 281 K N 0.752 121.186 120.400 0.055 0.000 2.021 281 K HA 0.304 4.630 4.320 0.009 0.000 0.205 281 K C 1.690 178.299 176.600 0.015 0.000 1.047 281 K CA 1.254 57.554 56.287 0.021 0.000 0.943 281 K CB -1.390 31.105 32.500 -0.010 0.000 0.725 281 K HN 0.877 nan 8.250 nan 0.000 0.439 287 T N 1.112 115.688 114.554 0.038 0.000 3.400 287 T HA 0.608 4.964 4.350 0.009 0.000 0.362 287 T C -0.521 174.187 174.700 0.013 0.000 1.823 287 T CA -0.274 61.849 62.100 0.038 0.000 1.374 287 T CB -0.391 68.504 68.868 0.045 0.000 1.130 287 T HN 0.539 nan 8.240 nan 0.000 0.744 288 D N 3.492 123.913 120.400 0.035 0.000 2.358 288 D HA 0.297 4.943 4.640 0.009 0.000 0.253 288 D C -1.695 174.636 176.300 0.052 0.000 1.288 288 D CA -2.127 51.889 54.000 0.027 0.000 0.950 288 D CB 2.457 43.281 40.800 0.040 0.000 1.197 288 D HN 0.087 nan 8.370 nan 0.000 0.550 289 P HA -0.145 nan 4.420 nan 0.000 0.218 289 P C 1.139 178.383 177.300 -0.095 0.000 1.149 289 P CA 0.650 63.592 63.100 -0.264 0.000 0.817 289 P CB 0.551 31.754 31.700 -0.829 0.000 0.785 290 N N 0.104 118.798 118.700 -0.011 0.000 2.058 290 N HA -0.194 4.552 4.740 0.009 0.000 0.191 290 N C 1.659 177.307 175.510 0.229 0.000 1.037 290 N CA 1.094 54.191 53.050 0.080 0.000 0.848 290 N CB -1.252 37.311 38.487 0.126 0.000 1.021 290 N HN -0.016 nan 8.380 nan 0.000 0.422 291 F N 1.912 121.937 119.950 0.124 0.000 2.069 291 F HA -0.161 4.371 4.527 0.009 0.000 0.298 291 F C 1.920 177.796 175.800 0.128 0.000 1.113 291 F CA 1.890 59.987 58.000 0.162 0.000 1.214 291 F CB -0.698 38.345 39.000 0.072 0.000 0.978 291 F HN 0.055 nan 8.300 nan 0.000 0.474 292 D N 0.162 120.570 120.400 0.013 0.000 2.190 292 D HA -0.254 4.391 4.640 0.009 0.000 0.200 292 D C 2.108 178.262 176.300 -0.244 0.000 0.992 292 D CA 1.635 55.583 54.000 -0.087 0.000 0.854 292 D CB -0.460 40.456 40.800 0.193 0.000 0.936 292 D HN 0.592 nan 8.370 nan 0.000 0.462 293 E N -0.206 119.894 120.200 -0.167 0.000 2.152 293 E HA -0.167 4.188 4.350 0.009 0.000 0.192 293 E C 1.887 178.295 176.600 -0.319 0.000 0.983 293 E CA 0.630 56.891 56.400 -0.233 0.000 0.818 293 E CB 0.178 29.750 29.700 -0.213 0.000 0.758 293 E HN 0.387 nan 8.360 nan 0.000 0.467 294 H N -0.339 118.593 119.070 -0.230 0.000 2.333 294 H HA -0.073 4.488 4.556 0.009 0.000 0.302 294 H C 2.330 177.502 175.328 -0.261 0.000 1.075 294 H CA 1.578 57.505 56.048 -0.201 0.000 1.348 294 H CB 0.111 29.788 29.762 -0.143 0.000 1.393 294 H HN 0.112 nan 8.280 nan 0.000 0.509 295 V N 1.315 121.023 119.914 -0.343 0.000 2.295 295 V HA -0.241 3.885 4.120 0.009 0.000 0.246 295 V C 2.918 178.818 176.094 -0.322 0.000 1.049 295 V CA 1.519 63.641 62.300 -0.297 0.000 1.024 295 V CB -1.216 30.298 31.823 -0.515 0.000 0.648 295 V HN 0.410 nan 8.190 nan 0.000 0.447 296 A N 0.231 122.652 122.820 -0.665 0.000 1.859 296 A HA -0.304 4.021 4.320 0.009 0.000 0.217 296 A C 2.315 179.761 177.584 -0.229 0.000 1.198 296 A CA 2.432 54.084 52.037 -0.642 0.000 0.629 296 A CB -0.632 18.020 19.000 -0.579 0.000 0.830 296 A HN 0.540 nan 8.150 nan 0.000 0.446 297 K N -1.107 119.186 120.400 -0.178 0.000 2.160 297 K HA -0.163 4.163 4.320 0.009 0.000 0.206 297 K C 1.876 178.462 176.600 -0.022 0.000 1.047 297 K CA 1.418 57.656 56.287 -0.082 0.000 0.930 297 K CB -0.345 32.099 32.500 -0.094 0.000 0.720 297 K HN 0.426 nan 8.250 nan 0.000 0.450 298 L N 1.292 122.520 121.223 0.007 0.000 2.072 298 L HA -0.065 4.281 4.340 0.009 0.000 0.205 298 L C 1.836 178.779 176.870 0.121 0.000 1.079 298 L CA 1.401 56.296 54.840 0.091 0.000 0.752 298 L CB -0.248 41.906 42.059 0.159 0.000 0.906 298 L HN 0.104 nan 8.230 nan 0.000 0.436 299 I N 0.095 120.720 120.570 0.091 0.000 2.179 299 I HA -0.310 3.866 4.170 0.009 0.000 0.242 299 I C 2.403 178.479 176.117 -0.068 0.000 1.088 299 I CA 1.642 62.883 61.300 -0.099 0.000 1.357 299 I CB -0.755 37.167 38.000 -0.130 0.000 1.051 299 I HN 0.501 nan 8.210 nan 0.000 0.409 300 N N 1.884 120.603 118.700 0.032 0.000 2.104 300 N HA -0.206 4.539 4.740 0.009 0.000 0.190 300 N C 1.900 177.359 175.510 -0.085 0.000 1.024 300 N CA 1.946 55.046 53.050 0.084 0.000 0.853 300 N CB 0.044 38.605 38.487 0.124 0.000 1.008 300 N HN 0.343 nan 8.380 nan 0.000 0.424 301 A N 0.940 123.729 122.820 -0.053 0.000 1.865 301 A HA -0.222 4.104 4.320 0.009 0.000 0.217 301 A C 2.254 179.762 177.584 -0.126 0.000 1.191 301 A CA 1.847 53.848 52.037 -0.060 0.000 0.623 301 A CB -1.029 17.963 19.000 -0.014 0.000 0.826 301 A HN 0.602 nan 8.150 nan 0.000 0.444 302 Q N -0.775 118.947 119.800 -0.129 0.000 2.084 302 Q HA -0.083 4.263 4.340 0.009 0.000 0.202 302 Q C 2.054 177.833 176.000 -0.368 0.000 0.978 302 Q CA 1.711 57.417 55.803 -0.162 0.000 0.844 302 Q CB -0.565 28.125 28.738 -0.080 0.000 0.898 302 Q HN 0.594 nan 8.270 nan 0.000 0.426 303 G N 0.155 108.534 108.800 -0.702 0.000 2.459 303 G HA2 -0.287 3.678 3.960 0.009 0.000 0.217 303 G HA3 -0.287 3.678 3.960 0.009 0.000 0.217 303 G C 1.430 175.700 174.900 -1.051 0.000 1.183 303 G CA 0.873 44.996 45.100 -1.628 0.000 0.776 303 G HN 0.338 nan 8.290 nan 0.000 0.552 304 V N 0.447 119.999 119.914 -0.603 0.000 2.392 304 V HA -0.144 3.982 4.120 0.009 0.000 0.249 304 V C 2.852 178.868 176.094 -0.130 0.000 1.059 304 V CA 2.491 64.681 62.300 -0.183 0.000 1.051 304 V CB -0.227 31.568 31.823 -0.046 0.000 0.658 304 V HN 0.337 nan 8.190 nan 0.000 0.455 305 E N -0.014 120.091 120.200 -0.158 0.000 2.001 305 E HA -0.178 4.178 4.350 0.009 0.000 0.195 305 E C 2.173 178.722 176.600 -0.085 0.000 1.002 305 E CA 1.632 57.978 56.400 -0.091 0.000 0.819 305 E CB -0.686 28.967 29.700 -0.079 0.000 0.769 305 E HN 0.557 nan 8.360 nan 0.000 0.454 306 L N 0.860 122.007 121.223 -0.126 0.000 2.089 306 L HA -0.221 4.124 4.340 0.009 0.000 0.213 306 L C 2.551 179.388 176.870 -0.054 0.000 1.079 306 L CA 0.887 55.671 54.840 -0.094 0.000 0.758 306 L CB -0.601 41.376 42.059 -0.136 0.000 0.891 306 L HN -0.003 nan 8.230 nan 0.000 0.433 307 V N -0.380 119.507 119.914 -0.046 0.000 2.453 307 V HA -0.210 3.915 4.120 0.009 0.000 0.247 307 V C 2.626 178.737 176.094 0.028 0.000 1.048 307 V CA 1.677 63.995 62.300 0.029 0.000 1.049 307 V CB -0.678 31.213 31.823 0.112 0.000 0.672 307 V HN 0.484 nan 8.190 nan 0.000 0.457 308 A N -0.234 122.593 122.820 0.012 0.000 1.970 308 A HA -0.026 4.300 4.320 0.009 0.000 0.216 308 A C 2.139 179.732 177.584 0.014 0.000 1.170 308 A CA 1.185 53.233 52.037 0.018 0.000 0.645 308 A CB -0.389 18.618 19.000 0.012 0.000 0.816 308 A HN 0.491 nan 8.150 nan 0.000 0.447 309 I N -0.424 120.149 120.570 0.005 0.000 2.315 309 I HA -0.193 3.983 4.170 0.009 0.000 0.248 309 I C 2.382 178.510 176.117 0.018 0.000 1.117 309 I CA 1.658 62.964 61.300 0.009 0.000 1.404 309 I CB -0.182 37.819 38.000 0.002 0.000 1.071 309 I HN 0.358 nan 8.210 nan 0.000 0.419 310 K N 1.048 121.461 120.400 0.020 0.000 2.486 310 K HA -0.073 4.252 4.320 0.009 0.000 0.194 310 K C 1.894 178.517 176.600 0.039 0.000 1.033 310 K CA 1.239 57.546 56.287 0.033 0.000 1.004 310 K CB 0.130 32.650 32.500 0.032 0.000 0.798 310 K HN 0.323 nan 8.250 nan 0.000 0.495 311 S N -0.827 114.894 115.700 0.035 0.000 2.502 311 S HA 0.010 4.485 4.470 0.009 0.000 0.215 311 S C 0.309 174.927 174.600 0.031 0.000 1.009 311 S CA -0.433 57.789 58.200 0.037 0.000 0.908 311 S CB 0.092 63.316 63.200 0.039 0.000 0.801 311 S HN 0.193 nan 8.310 nan 0.000 0.505 312 D N 3.716 124.132 120.400 0.027 0.000 2.383 312 D HA 0.229 4.875 4.640 0.009 0.000 0.252 312 D C -1.486 174.828 176.300 0.024 0.000 1.166 312 D CA -1.577 52.437 54.000 0.023 0.000 0.879 312 D CB 1.691 42.504 40.800 0.021 0.000 1.164 312 D HN 0.169 nan 8.370 nan 0.000 0.462 313 P HA -0.015 nan 4.420 nan 0.000 0.255 313 P C 1.061 178.373 177.300 0.019 0.000 1.248 313 P CA 0.062 63.175 63.100 0.021 0.000 0.807 313 P CB 0.257 31.969 31.700 0.020 0.000 1.150 314 S N 1.494 117.205 115.700 0.018 0.000 2.523 314 S HA -0.198 4.278 4.470 0.009 0.000 0.226 314 S C 0.862 175.471 174.600 0.016 0.000 1.062 314 S CA 0.891 59.100 58.200 0.016 0.000 1.207 314 S CB -1.483 61.726 63.200 0.015 0.000 1.151 314 S HN 0.228 nan 8.310 nan 0.000 0.408 315 E N 1.493 121.703 120.200 0.017 0.000 2.180 315 E HA 0.282 4.638 4.350 0.009 0.000 0.283 315 E C 0.239 176.850 176.600 0.018 0.000 1.061 315 E CA -0.160 56.249 56.400 0.016 0.000 0.861 315 E CB 0.825 30.535 29.700 0.016 0.000 1.056 315 E HN 0.454 nan 8.360 nan 0.000 0.407 316 L N 2.090 123.323 121.223 0.017 0.000 2.599 316 L HA -0.008 4.337 4.340 0.009 0.000 0.230 316 L C 0.874 177.755 176.870 0.018 0.000 1.141 316 L CA -0.057 54.793 54.840 0.018 0.000 0.877 316 L CB -0.270 41.798 42.059 0.016 0.000 1.009 316 L HN 0.366 nan 8.230 nan 0.000 0.447 317 S N 0.632 116.342 115.700 0.017 0.000 2.544 317 S HA 0.068 4.544 4.470 0.009 0.000 0.290 317 S C -1.317 173.295 174.600 0.020 0.000 1.276 317 S CA -1.031 57.178 58.200 0.016 0.000 1.075 317 S CB 0.421 63.629 63.200 0.014 0.000 0.849 317 S HN 0.074 nan 8.310 nan 0.000 0.494 318 P HA 0.044 nan 4.420 nan 0.000 0.229 318 P C 1.435 178.749 177.300 0.024 0.000 1.160 318 P CA 1.283 64.397 63.100 0.023 0.000 0.777 318 P CB -0.203 31.507 31.700 0.017 0.000 0.814 319 E N 1.119 121.329 120.200 0.017 0.000 2.049 319 E HA -0.213 4.143 4.350 0.009 0.000 0.198 319 E C 2.509 179.126 176.600 0.029 0.000 1.007 319 E CA 2.462 58.871 56.400 0.016 0.000 0.809 319 E CB -1.853 27.854 29.700 0.011 0.000 0.749 319 E HN 0.243 nan 8.360 nan 0.000 0.450 320 L N 0.668 121.909 121.223 0.030 0.000 1.994 320 L HA 0.194 4.540 4.340 0.009 0.000 0.208 320 L C 3.092 179.991 176.870 0.048 0.000 1.071 320 L CA 3.714 58.576 54.840 0.037 0.000 0.745 320 L CB -2.104 39.973 42.059 0.030 0.000 0.892 320 L HN 0.774 nan 8.230 nan 0.000 0.431 321 K N 0.088 120.517 120.400 0.047 0.000 2.209 321 K HA -0.007 4.319 4.320 0.009 0.000 0.204 321 K C 2.227 178.878 176.600 0.084 0.000 1.048 321 K CA 2.474 58.798 56.287 0.062 0.000 0.940 321 K CB -1.464 31.069 32.500 0.055 0.000 0.729 321 K HN 0.981 nan 8.250 nan 0.000 0.451 322 E N 1.315 121.558 120.200 0.071 0.000 2.033 322 E HA -0.151 4.205 4.350 0.009 0.000 0.189 322 E C 2.037 178.724 176.600 0.144 0.000 0.979 322 E CA 1.229 57.677 56.400 0.081 0.000 0.802 322 E CB -0.749 28.966 29.700 0.025 0.000 0.763 322 E HN 0.635 nan 8.360 nan 0.000 0.449 323 N N 0.093 118.867 118.700 0.125 0.000 2.244 323 N HA -0.105 4.641 4.740 0.009 0.000 0.183 323 N C 1.936 177.555 175.510 0.182 0.000 1.016 323 N CA 1.460 54.626 53.050 0.193 0.000 0.866 323 N CB -0.707 37.855 38.487 0.125 0.000 0.980 323 N HN 0.585 nan 8.380 nan 0.000 0.430 324 C N 0.095 119.463 119.300 0.112 0.000 2.453 324 C HA 0.127 4.593 4.460 0.009 0.000 0.277 324 C C 3.011 178.035 174.990 0.057 0.000 1.262 324 C CA 1.852 60.909 59.018 0.064 0.000 1.718 324 C CB -1.446 26.322 27.740 0.046 0.000 2.031 324 C HN 0.556 nan 8.230 nan 0.000 0.480 325 S N -0.777 114.996 115.700 0.122 0.000 2.428 325 S HA -0.042 4.434 4.470 0.009 0.000 0.230 325 S C 1.635 176.420 174.600 0.308 0.000 1.014 325 S CA 1.325 59.635 58.200 0.183 0.000 0.957 325 S CB -0.647 62.742 63.200 0.316 0.000 0.784 325 S HN 0.647 nan 8.310 nan 0.000 0.499 326 F N 1.904 121.920 119.950 0.109 0.000 2.113 326 F HA -0.051 4.482 4.527 0.010 0.000 0.297 326 F C 2.370 178.184 175.800 0.023 0.000 1.103 326 F CA 1.703 59.750 58.000 0.078 0.000 1.248 326 F CB -0.589 38.427 39.000 0.027 0.000 0.999 326 F HN 0.283 nan 8.300 nan 0.000 0.475 327 Q N -0.238 119.436 119.800 -0.210 0.000 2.170 327 Q HA -0.187 4.159 4.340 0.009 0.000 0.203 327 Q C 2.118 177.933 176.000 -0.308 0.000 0.976 327 Q CA 1.455 57.070 55.803 -0.313 0.000 0.858 327 Q CB -0.381 28.290 28.738 -0.113 0.000 0.907 327 Q HN 0.408 nan 8.270 nan 0.000 0.433 328 L N -0.558 120.485 121.223 -0.299 0.000 1.988 328 L HA -0.151 4.194 4.340 0.009 0.000 0.207 328 L C 1.753 178.078 176.870 -0.909 0.000 1.071 328 L CA 1.798 56.375 54.840 -0.438 0.000 0.744 328 L CB -0.761 41.042 42.059 -0.426 0.000 0.893 328 L HN 0.184 nan 8.230 nan 0.000 0.433 329 Y N -0.146 119.601 120.300 -0.921 0.000 2.384 329 Y HA -0.216 4.340 4.550 0.009 0.000 0.289 329 Y C 2.409 177.761 175.900 -0.912 0.000 1.152 329 Y CA 1.656 58.911 58.100 -1.409 0.000 1.258 329 Y CB -0.815 37.240 38.460 -0.674 0.000 0.979 329 Y HN 0.421 nan 8.280 nan 0.000 0.549 330 N N -0.231 118.162 118.700 -0.512 0.000 2.270 330 N HA -0.107 4.639 4.740 0.009 0.000 0.181 330 N C 1.483 176.877 175.510 -0.194 0.000 1.016 330 N CA 0.562 53.401 53.050 -0.353 0.000 0.870 330 N CB -0.164 38.069 38.487 -0.423 0.000 0.979 330 N HN 0.300 nan 8.380 nan 0.000 0.431 331 L N 0.200 121.327 121.223 -0.160 0.000 2.395 331 L HA -0.038 4.308 4.340 0.009 0.000 0.218 331 L C 1.454 178.466 176.870 0.237 0.000 1.130 331 L CA 0.130 55.046 54.840 0.126 0.000 0.826 331 L CB -0.237 41.908 42.059 0.143 0.000 0.941 331 L HN 0.143 nan 8.230 nan 0.000 0.451 332 F N 0.742 120.617 119.950 -0.125 0.000 2.087 332 F HA -0.181 4.351 4.527 0.009 0.000 0.299 332 F C 0.060 175.782 175.800 -0.130 0.000 1.100 332 F CA 1.137 58.993 58.000 -0.240 0.000 1.226 332 F CB -2.544 36.110 39.000 -0.577 0.000 0.983 332 F HN 0.137 nan 8.300 nan 0.000 0.479 333 P HA -0.198 nan 4.420 nan 0.000 0.214 333 P C 1.658 178.868 177.300 -0.151 0.000 1.163 333 P CA 1.828 64.815 63.100 -0.189 0.000 0.889 333 P CB -0.346 31.077 31.700 -0.462 0.000 0.790 334 Y N -0.951 119.388 120.300 0.066 0.000 2.097 334 Y HA -0.206 4.349 4.550 0.009 0.000 0.282 334 Y C 2.368 178.367 175.900 0.166 0.000 1.152 334 Y CA 0.394 58.549 58.100 0.092 0.000 1.136 334 Y CB -1.421 37.085 38.460 0.077 0.000 0.975 334 Y HN -0.123 nan 8.280 nan 0.000 0.498 335 L N 0.548 121.961 121.223 0.316 0.000 2.089 335 L HA -0.251 4.095 4.340 0.009 0.000 0.213 335 L C 1.868 178.799 176.870 0.102 0.000 1.079 335 L CA 1.689 56.641 54.840 0.187 0.000 0.758 335 L CB -0.731 41.315 42.059 -0.022 0.000 0.891 335 L HN 0.298 nan 8.230 nan 0.000 0.433 336 I N -1.371 119.245 120.570 0.078 0.000 2.400 336 I HA -0.137 4.039 4.170 0.009 0.000 0.248 336 I C 2.595 178.714 176.117 0.004 0.000 1.109 336 I CA 0.501 61.810 61.300 0.015 0.000 1.425 336 I CB -0.445 37.565 38.000 0.016 0.000 1.094 336 I HN 0.267 nan 8.210 nan 0.000 0.425 337 R N 1.066 121.550 120.500 -0.027 0.000 2.103 337 R HA -0.219 4.127 4.340 0.009 0.000 0.242 337 R C 2.062 178.260 176.300 -0.171 0.000 1.142 337 R CA 2.095 58.110 56.100 -0.141 0.000 0.960 337 R CB -0.692 29.457 30.300 -0.250 0.000 0.858 337 R HN 0.381 nan 8.270 nan 0.000 0.439 338 Y N -0.415 119.941 120.300 0.092 0.000 2.365 338 Y HA -0.096 4.459 4.550 0.009 0.000 0.293 338 Y C 2.020 177.971 175.900 0.084 0.000 1.119 338 Y CA 0.313 58.466 58.100 0.089 0.000 1.203 338 Y CB -0.131 38.385 38.460 0.093 0.000 1.026 338 Y HN 0.020 nan 8.280 nan 0.000 0.549 339 L N -0.443 120.898 121.223 0.197 0.000 2.191 339 L HA -0.147 4.198 4.340 0.009 0.000 0.212 339 L C 1.766 178.707 176.870 0.118 0.000 1.103 339 L CA 1.739 56.666 54.840 0.145 0.000 0.769 339 L CB -0.585 41.482 42.059 0.014 0.000 0.908 339 L HN -0.030 nan 8.230 nan 0.000 0.438 340 S N -1.371 114.375 115.700 0.076 0.000 2.548 340 S HA 0.035 4.510 4.470 0.009 0.000 0.215 340 S C 0.575 175.218 174.600 0.071 0.000 0.976 340 S CA -0.339 57.890 58.200 0.050 0.000 0.908 340 S CB -0.500 62.704 63.200 0.006 0.000 0.781 340 S HN 0.512 nan 8.310 nan 0.000 0.519 341 D N 2.608 123.077 120.400 0.114 0.000 2.533 341 D HA -0.067 4.578 4.640 0.009 0.000 0.236 341 D C 0.269 176.655 176.300 0.142 0.000 1.137 341 D CA 0.295 54.383 54.000 0.147 0.000 0.867 341 D CB 0.590 41.532 40.800 0.238 0.000 1.170 341 D HN 0.068 nan 8.370 nan 0.000 0.474 342 D N 2.828 123.296 120.400 0.113 0.000 2.133 342 D HA -0.233 4.412 4.640 0.009 0.000 0.195 342 D C 0.284 176.573 176.300 -0.017 0.000 0.997 342 D CA 1.152 55.166 54.000 0.024 0.000 0.840 342 D CB -0.231 40.549 40.800 -0.033 0.000 0.947 342 D HN 0.533 nan 8.370 nan 0.000 0.452 343 Y N 1.948 122.286 120.300 0.064 0.000 2.569 343 Y HA -0.044 4.510 4.550 0.007 0.000 0.332 343 Y C 1.552 177.489 175.900 0.061 0.000 1.120 343 Y CA 0.127 58.263 58.100 0.060 0.000 1.416 343 Y CB 0.509 39.007 38.460 0.063 0.000 1.210 343 Y HN -0.121 nan 8.280 nan 0.000 0.528 344 D N 3.300 123.777 120.400 0.128 0.000 2.312 344 D HA -0.119 4.527 4.640 0.009 0.000 0.211 344 D C 1.942 178.283 176.300 0.069 0.000 0.964 344 D CA 1.148 55.212 54.000 0.106 0.000 0.877 344 D CB 0.275 41.130 40.800 0.093 0.000 0.924 344 D HN 0.889 nan 8.370 nan 0.000 0.515 345 E N 0.877 121.136 120.200 0.099 0.000 2.072 345 E HA -0.125 4.230 4.350 0.009 0.000 0.190 345 E C 2.133 178.727 176.600 -0.010 0.000 0.982 345 E CA 1.339 57.755 56.400 0.027 0.000 0.803 345 E CB -1.204 28.525 29.700 0.047 0.000 0.755 345 E HN 0.175 nan 8.360 nan 0.000 0.453 346 T N 1.147 115.737 114.554 0.060 0.000 2.652 346 T HA -0.211 4.145 4.350 0.009 0.000 0.267 346 T C 2.483 177.212 174.700 0.049 0.000 1.039 346 T CA 2.712 64.840 62.100 0.048 0.000 1.153 346 T CB -0.501 68.461 68.868 0.158 0.000 0.863 346 T HN 0.663 nan 8.240 nan 0.000 0.428 347 S N 1.702 117.465 115.700 0.106 0.000 2.370 347 S HA -0.168 4.308 4.470 0.009 0.000 0.226 347 S C 2.118 176.721 174.600 0.006 0.000 1.033 347 S CA 1.785 60.074 58.200 0.149 0.000 1.011 347 S CB -1.318 62.019 63.200 0.229 0.000 0.852 347 S HN 0.534 nan 8.310 nan 0.000 0.457 348 T N 2.318 116.673 114.554 -0.332 0.000 2.977 348 T HA 0.198 4.554 4.350 0.009 0.000 0.271 348 T C 1.751 176.153 174.700 -0.498 0.000 1.105 348 T CA 0.977 62.464 62.100 -1.022 0.000 1.116 348 T CB -0.567 67.814 68.868 -0.810 0.000 0.878 348 T HN 0.643 nan 8.240 nan 0.000 0.509 349 A N 0.645 123.341 122.820 -0.207 0.000 2.255 349 A HA 0.303 4.628 4.320 0.009 0.000 0.206 349 A C 1.735 179.317 177.584 -0.004 0.000 1.193 349 A CA 0.323 52.295 52.037 -0.109 0.000 0.794 349 A CB -0.264 18.663 19.000 -0.122 0.000 0.794 349 A HN 0.390 nan 8.150 nan 0.000 0.481 350 V N -2.155 117.807 119.914 0.080 0.000 3.382 350 V HA 0.102 4.227 4.120 0.009 0.000 0.296 350 V C 1.432 177.736 176.094 0.350 0.000 1.529 350 V CA -0.272 62.158 62.300 0.217 0.000 1.048 350 V CB -0.768 31.178 31.823 0.205 0.000 0.878 350 V HN 0.665 nan 8.190 nan 0.000 0.442 351 F N 2.050 122.075 119.950 0.124 0.000 2.065 351 F HA -0.144 4.389 4.527 0.009 0.000 0.298 351 F C 0.486 176.431 175.800 0.242 0.000 1.112 351 F CA 1.818 59.955 58.000 0.228 0.000 1.212 351 F CB -1.310 37.925 39.000 0.392 0.000 0.975 351 F HN 0.296 nan 8.300 nan 0.000 0.476 352 P HA -0.273 nan 4.420 nan 0.000 0.216 352 P C 1.630 179.118 177.300 0.314 0.000 1.154 352 P CA 1.678 64.955 63.100 0.295 0.000 0.865 352 P CB -0.525 31.297 31.700 0.204 0.000 0.789 353 F N 1.284 121.305 119.950 0.118 0.000 2.113 353 F HA -0.126 4.406 4.527 0.009 0.000 0.297 353 F C 2.139 177.977 175.800 0.063 0.000 1.103 353 F CA 0.777 58.824 58.000 0.080 0.000 1.248 353 F CB -1.567 37.473 39.000 0.067 0.000 0.999 353 F HN -0.239 nan 8.300 nan 0.000 0.475 354 L N 0.093 121.302 121.223 -0.024 0.000 2.017 354 L HA -0.157 4.189 4.340 0.009 0.000 0.208 354 L C 2.728 179.558 176.870 -0.067 0.000 1.073 354 L CA 2.223 56.882 54.840 -0.301 0.000 0.745 354 L CB -1.438 40.233 42.059 -0.647 0.000 0.894 354 L HN 0.281 nan 8.230 nan 0.000 0.432 355 S N -0.573 115.238 115.700 0.185 0.000 2.377 355 S HA -0.254 4.221 4.470 0.009 0.000 0.224 355 S C 1.732 176.431 174.600 0.164 0.000 1.042 355 S CA 1.902 60.276 58.200 0.290 0.000 1.086 355 S CB -0.504 62.879 63.200 0.304 0.000 0.995 355 S HN 0.638 nan 8.310 nan 0.000 0.428 356 D N 0.977 121.485 120.400 0.179 0.000 2.097 356 D HA -0.090 4.556 4.640 0.009 0.000 0.195 356 D C 1.985 178.375 176.300 0.151 0.000 0.989 356 D CA 1.002 55.096 54.000 0.156 0.000 0.827 356 D CB -0.791 40.112 40.800 0.172 0.000 0.966 356 D HN 0.353 nan 8.370 nan 0.000 0.456 357 L N 0.866 122.204 121.223 0.193 0.000 1.997 357 L HA -0.200 4.146 4.340 0.009 0.000 0.216 357 L C 2.279 179.198 176.870 0.082 0.000 1.074 357 L CA 1.560 56.498 54.840 0.164 0.000 0.763 357 L CB -0.681 41.425 42.059 0.079 0.000 0.890 357 L HN 0.018 nan 8.230 nan 0.000 0.434 358 L N -1.801 119.434 121.223 0.020 0.000 2.042 358 L HA -0.240 4.106 4.340 0.009 0.000 0.210 358 L C 2.419 179.304 176.870 0.024 0.000 1.076 358 L CA 1.272 56.109 54.840 -0.005 0.000 0.749 358 L CB -0.673 41.364 42.059 -0.037 0.000 0.893 358 L HN 0.163 nan 8.230 nan 0.000 0.432 359 V N -0.887 119.053 119.914 0.043 0.000 2.255 359 V HA -0.353 3.772 4.120 0.009 0.000 0.247 359 V C 2.705 178.827 176.094 0.046 0.000 1.051 359 V CA 2.170 64.493 62.300 0.039 0.000 1.018 359 V CB -0.666 31.186 31.823 0.047 0.000 0.641 359 V HN 0.536 nan 8.190 nan 0.000 0.445 360 S N -0.598 115.140 115.700 0.065 0.000 2.383 360 S HA -0.188 4.287 4.470 0.009 0.000 0.229 360 S C 1.959 176.603 174.600 0.074 0.000 1.030 360 S CA 1.764 60.007 58.200 0.071 0.000 1.002 360 S CB -0.390 62.863 63.200 0.088 0.000 0.829 360 S HN 0.503 nan 8.310 nan 0.000 0.467 361 L N 1.268 122.537 121.223 0.077 0.000 2.093 361 L HA -0.056 4.290 4.340 0.009 0.000 0.208 361 L C 2.680 179.584 176.870 0.057 0.000 1.085 361 L CA 1.618 56.507 54.840 0.083 0.000 0.755 361 L CB -0.385 41.723 42.059 0.081 0.000 0.904 361 L HN 0.510 nan 8.230 nan 0.000 0.435 362 R N -0.229 120.291 120.500 0.033 0.000 2.297 362 R HA 0.042 4.387 4.340 0.009 0.000 0.197 362 R C 2.049 178.363 176.300 0.024 0.000 0.943 362 R CA 0.790 56.901 56.100 0.019 0.000 1.038 362 R CB -0.259 30.039 30.300 -0.004 0.000 0.957 362 R HN 0.076 nan 8.270 nan 0.000 0.484 363 K N 1.122 121.542 120.400 0.033 0.000 2.186 363 K HA 0.025 4.350 4.320 0.009 0.000 0.202 363 K C 2.079 178.704 176.600 0.040 0.000 1.052 363 K CA 1.337 57.643 56.287 0.032 0.000 0.965 363 K CB -0.818 31.704 32.500 0.036 0.000 0.746 363 K HN 0.568 nan 8.250 nan 0.000 0.457 364 E N 0.760 120.993 120.200 0.054 0.000 2.371 364 E HA -0.013 4.342 4.350 0.009 0.000 0.194 364 E C 1.943 178.577 176.600 0.057 0.000 1.012 364 E CA 1.359 57.797 56.400 0.064 0.000 0.860 364 E CB -0.408 29.347 29.700 0.092 0.000 0.811 364 E HN 0.824 nan 8.360 nan 0.000 0.502 365 S N 0.049 115.778 115.700 0.048 0.000 2.548 365 S HA -0.029 4.446 4.470 0.009 0.000 0.215 365 S C 2.160 176.776 174.600 0.027 0.000 0.976 365 S CA 0.948 59.172 58.200 0.040 0.000 0.908 365 S CB 0.009 63.231 63.200 0.037 0.000 0.781 365 S HN 0.605 nan 8.310 nan 0.000 0.519 366 S N 0.990 116.705 115.700 0.024 0.000 2.481 366 S HA 0.164 4.640 4.470 0.009 0.000 0.231 366 S C 1.981 176.592 174.600 0.019 0.000 0.996 366 S CA 0.857 59.067 58.200 0.017 0.000 0.942 366 S CB -0.757 62.451 63.200 0.014 0.000 0.768 366 S HN 0.729 nan 8.310 nan 0.000 0.520 367 S N 1.231 116.946 115.700 0.025 0.000 2.444 367 S HA 0.596 5.072 4.470 0.009 0.000 0.223 367 S C 0.941 175.555 174.600 0.024 0.000 1.054 367 S CA 0.851 59.066 58.200 0.024 0.000 0.947 367 S CB -0.194 63.023 63.200 0.029 0.000 0.850 367 S HN 0.905 nan 8.310 nan 0.000 0.527 368 K N 0.735 121.152 120.400 0.030 0.000 2.480 368 K HA 0.705 5.031 4.320 0.009 0.000 0.258 368 K C -1.033 175.587 176.600 0.032 0.000 0.990 368 K CA -0.542 55.762 56.287 0.029 0.000 0.857 368 K CB 0.388 32.906 32.500 0.030 0.000 1.384 368 K HN 0.444 nan 8.250 nan 0.000 0.446 369 E N 0.251 120.468 120.200 0.029 0.000 2.383 369 E HA 0.543 4.899 4.350 0.009 0.000 0.264 369 E C 0.412 177.037 176.600 0.042 0.000 1.050 369 E CA 0.030 56.449 56.400 0.032 0.000 0.896 369 E CB 0.766 30.482 29.700 0.026 0.000 0.982 369 E HN 0.764 nan 8.360 nan 0.000 0.424 370 L N 2.438 123.690 121.223 0.049 0.000 2.483 370 L HA 0.156 4.502 4.340 0.009 0.000 0.275 370 L C 0.760 177.666 176.870 0.060 0.000 1.220 370 L CA 0.211 55.091 54.840 0.066 0.000 0.833 370 L CB 0.061 42.164 42.059 0.073 0.000 1.102 370 L HN 0.737 nan 8.230 nan 0.000 0.490 371 S N 1.690 117.432 115.700 0.070 0.000 2.576 371 S HA 0.488 4.964 4.470 0.009 0.000 0.276 371 S C 1.450 176.084 174.600 0.056 0.000 1.339 371 S CA 0.155 58.385 58.200 0.051 0.000 1.039 371 S CB 0.850 64.071 63.200 0.036 0.000 0.902 371 S HN 2.212 nan 8.310 nan 0.000 0.516 372 A N 3.243 126.087 122.820 0.040 0.000 1.927 372 A HA -0.071 4.254 4.320 0.009 0.000 0.220 372 A C 2.688 180.306 177.584 0.057 0.000 1.185 372 A CA 2.684 54.746 52.037 0.042 0.000 0.639 372 A CB -2.013 17.004 19.000 0.029 0.000 0.820 372 A HN 1.430 nan 8.150 nan 0.000 0.451 373 S N -0.277 115.456 115.700 0.055 0.000 2.365 373 S HA -0.120 4.355 4.470 0.009 0.000 0.225 373 S C 1.975 176.658 174.600 0.140 0.000 1.039 373 S CA 1.848 60.093 58.200 0.074 0.000 1.033 373 S CB -0.545 62.675 63.200 0.032 0.000 0.887 373 S HN 0.459 nan 8.310 nan 0.000 0.447 374 L N 0.204 121.524 121.223 0.161 0.000 2.095 374 L HA -0.050 4.296 4.340 0.009 0.000 0.204 374 L C 2.521 179.494 176.870 0.172 0.000 1.080 374 L CA 0.857 55.840 54.840 0.240 0.000 0.759 374 L CB -0.265 41.942 42.059 0.247 0.000 0.914 374 L HN 0.282 nan 8.230 nan 0.000 0.439 375 K N -0.024 120.437 120.400 0.102 0.000 2.160 375 K HA -0.203 4.123 4.320 0.009 0.000 0.206 375 K C 1.986 178.607 176.600 0.034 0.000 1.047 375 K CA 1.141 57.460 56.287 0.053 0.000 0.930 375 K CB -0.057 32.471 32.500 0.046 0.000 0.720 375 K HN 0.283 nan 8.250 nan 0.000 0.450 376 E N 0.277 120.519 120.200 0.070 0.000 2.046 376 E HA -0.128 4.228 4.350 0.009 0.000 0.190 376 E C 1.774 178.407 176.600 0.055 0.000 0.982 376 E CA 0.624 57.057 56.400 0.056 0.000 0.800 376 E CB -0.305 29.443 29.700 0.079 0.000 0.756 376 E HN 0.192 nan 8.360 nan 0.000 0.449 377 F N 2.179 122.094 119.950 -0.059 0.000 2.043 377 F HA -0.230 4.302 4.527 0.009 0.000 0.297 377 F C 2.174 177.855 175.800 -0.198 0.000 1.121 377 F CA 1.430 59.348 58.000 -0.137 0.000 1.199 377 F CB -0.769 38.127 39.000 -0.173 0.000 0.968 377 F HN -0.075 nan 8.300 nan 0.000 0.478 378 L N 0.054 121.050 121.223 -0.378 0.000 2.043 378 L HA -0.291 4.054 4.340 0.009 0.000 0.212 378 L C 2.561 179.174 176.870 -0.429 0.000 1.075 378 L CA 1.923 56.471 54.840 -0.488 0.000 0.752 378 L CB -0.892 41.017 42.059 -0.249 0.000 0.891 378 L HN 0.150 nan 8.230 nan 0.000 0.432 379 K N -0.598 119.618 120.400 -0.305 0.000 2.063 379 K HA -0.181 4.145 4.320 0.009 0.000 0.208 379 K C 2.384 178.755 176.600 -0.381 0.000 1.048 379 K CA 1.668 57.728 56.287 -0.377 0.000 0.928 379 K CB -0.203 32.204 32.500 -0.155 0.000 0.713 379 K HN 0.101 nan 8.250 nan 0.000 0.442 380 S N 0.435 115.983 115.700 -0.254 0.000 2.453 380 S HA -0.029 4.447 4.470 0.009 0.000 0.231 380 S C 1.707 176.137 174.600 -0.284 0.000 1.005 380 S CA 0.440 58.527 58.200 -0.187 0.000 0.949 380 S CB 0.017 63.176 63.200 -0.069 0.000 0.774 380 S HN 0.086 nan 8.310 nan 0.000 0.510 381 L N 1.501 122.441 121.223 -0.472 0.000 2.072 381 L HA 0.178 4.523 4.340 0.009 0.000 0.205 381 L C 2.061 178.719 176.870 -0.354 0.000 1.079 381 L CA 1.477 56.011 54.840 -0.511 0.000 0.752 381 L CB -0.831 40.768 42.059 -0.767 0.000 0.906 381 L HN 0.340 nan 8.230 nan 0.000 0.436 382 L N -0.861 120.130 121.223 -0.386 0.000 2.083 382 L HA -0.233 4.113 4.340 0.009 0.000 0.209 382 L C 2.468 179.246 176.870 -0.155 0.000 1.083 382 L CA 1.413 56.068 54.840 -0.308 0.000 0.752 382 L CB -0.510 41.158 42.059 -0.651 0.000 0.899 382 L HN 0.388 nan 8.230 nan 0.000 0.433 383 E N 0.527 120.624 120.200 -0.172 0.000 2.085 383 E HA -0.270 4.086 4.350 0.009 0.000 0.194 383 E C 2.142 178.734 176.600 -0.015 0.000 0.994 383 E CA 1.435 57.850 56.400 0.025 0.000 0.801 383 E CB 0.025 29.735 29.700 0.016 0.000 0.743 383 E HN 0.463 nan 8.360 nan 0.000 0.453 384 A N 1.152 123.928 122.820 -0.073 0.000 1.840 384 A HA -0.110 4.216 4.320 0.009 0.000 0.214 384 A C 2.234 179.798 177.584 -0.033 0.000 1.198 384 A CA 1.341 53.343 52.037 -0.059 0.000 0.608 384 A CB -0.748 18.197 19.000 -0.092 0.000 0.839 384 A HN 0.351 nan 8.150 nan 0.000 0.443 385 I N -0.169 120.368 120.570 -0.054 0.000 2.236 385 I HA -0.312 3.863 4.170 0.009 0.000 0.249 385 I C 2.281 178.442 176.117 0.074 0.000 1.102 385 I CA 1.468 62.769 61.300 0.001 0.000 1.365 385 I CB -0.356 37.638 38.000 -0.010 0.000 1.051 385 I HN 0.340 nan 8.210 nan 0.000 0.420 386 I N 0.496 121.113 120.570 0.079 0.000 2.394 386 I HA -0.273 3.903 4.170 0.009 0.000 0.251 386 I C 2.623 178.681 176.117 -0.099 0.000 1.136 386 I CA 1.157 62.508 61.300 0.084 0.000 1.425 386 I CB -0.244 37.828 38.000 0.120 0.000 1.079 386 I HN 0.211 nan 8.210 nan 0.000 0.425 387 K N 0.884 121.243 120.400 -0.069 0.000 2.097 387 K HA -0.171 4.155 4.320 0.009 0.000 0.205 387 K C 2.028 178.605 176.600 -0.038 0.000 1.050 387 K CA 1.102 57.333 56.287 -0.093 0.000 0.938 387 K CB 0.178 32.646 32.500 -0.053 0.000 0.718 387 K HN 0.000 nan 8.250 nan 0.000 0.442 388 K N 0.302 120.719 120.400 0.028 0.000 2.296 388 K HA -0.051 4.275 4.320 0.009 0.000 0.200 388 K C 1.819 178.491 176.600 0.121 0.000 1.048 388 K CA 0.727 57.069 56.287 0.093 0.000 0.966 388 K CB -0.018 32.561 32.500 0.132 0.000 0.754 388 K HN 0.179 nan 8.250 nan 0.000 0.466 389 M N 0.966 120.626 119.600 0.100 0.000 2.319 389 M HA -0.057 4.428 4.480 0.009 0.000 0.265 389 M C 0.029 176.452 176.300 0.205 0.000 1.068 389 M CA 1.214 56.604 55.300 0.149 0.000 1.118 389 M CB 0.160 32.968 32.600 0.346 0.000 1.395 389 M HN -0.183 nan 8.290 nan 0.000 0.435 390 K N -0.480 119.968 120.400 0.080 0.000 2.202 390 K HA 0.130 4.456 4.320 0.009 0.000 0.264 390 K C -0.817 175.834 176.600 0.084 0.000 1.010 390 K CA -0.504 55.817 56.287 0.057 0.000 0.940 390 K CB 0.355 32.720 32.500 -0.225 0.000 0.983 390 K HN -0.020 nan 8.250 nan 0.000 0.475 391 Y N 1.128 121.402 120.300 -0.043 0.000 2.457 391 Y HA -0.101 4.454 4.550 0.008 0.000 0.341 391 Y C 0.917 176.660 175.900 -0.263 0.000 1.240 391 Y CA 0.153 58.105 58.100 -0.245 0.000 1.437 391 Y CB 0.478 38.720 38.460 -0.363 0.000 1.328 391 Y HN 0.601 nan 8.280 nan 0.000 0.588 392 D N 2.597 122.949 120.400 -0.079 0.000 2.371 392 D HA -0.056 4.590 4.640 0.009 0.000 0.256 392 D C -0.112 176.143 176.300 -0.075 0.000 1.193 392 D CA 0.092 54.045 54.000 -0.078 0.000 0.881 392 D CB 0.694 41.453 40.800 -0.069 0.000 1.143 392 D HN 0.661 nan 8.370 nan 0.000 0.473 393 E N 2.130 122.260 120.200 -0.116 0.000 2.382 393 E HA -0.029 4.327 4.350 0.009 0.000 0.190 393 E C 0.882 177.454 176.600 -0.046 0.000 1.125 393 E CA 0.001 56.320 56.400 -0.136 0.000 0.929 393 E CB 0.135 29.746 29.700 -0.147 0.000 1.053 393 E HN 0.548 nan 8.360 nan 0.000 0.475 394 S N -0.458 115.239 115.700 -0.005 0.000 3.066 394 S HA 0.013 4.489 4.470 0.009 0.000 0.235 394 S C 0.783 175.427 174.600 0.073 0.000 0.995 394 S CA -0.438 57.777 58.200 0.025 0.000 0.835 394 S CB 0.192 63.394 63.200 0.003 0.000 0.814 394 S HN 0.027 nan 8.310 nan 0.000 0.594 395 Q N 2.295 122.144 119.800 0.081 0.000 2.296 395 Q HA 0.333 4.678 4.340 0.009 0.000 0.263 395 Q C -0.881 175.257 176.000 0.229 0.000 1.026 395 Q CA -0.102 55.771 55.803 0.116 0.000 0.912 395 Q CB 0.723 29.507 28.738 0.078 0.000 1.198 395 Q HN 0.388 nan 8.270 nan 0.000 0.407 396 E N 1.501 121.839 120.200 0.229 0.000 2.437 396 E HA -0.061 4.295 4.350 0.009 0.000 0.263 396 E C -0.572 176.207 176.600 0.298 0.000 1.030 396 E CA -0.100 56.495 56.400 0.324 0.000 0.934 396 E CB 0.310 30.125 29.700 0.192 0.000 0.943 396 E HN 0.396 nan 8.360 nan 0.000 0.444 397 W N 4.312 125.650 121.300 0.063 0.000 2.274 397 W HA -0.063 4.602 4.660 0.009 0.000 0.345 397 W C 0.020 176.497 176.519 -0.070 0.000 1.265 397 W CA 0.008 57.291 57.345 -0.103 0.000 1.293 397 W CB 0.322 29.438 29.460 -0.574 0.000 1.175 397 W HN 0.411 nan 8.180 nan 0.000 0.577 398 D N 4.191 124.143 120.400 -0.745 0.000 2.177 398 D HA -0.003 4.643 4.640 0.009 0.000 0.247 398 D C -0.065 175.422 176.300 -1.354 0.000 1.063 398 D CA -0.436 53.130 54.000 -0.725 0.000 0.867 398 D CB 1.629 42.194 40.800 -0.392 0.000 1.168 398 D HN 0.557 nan 8.370 nan 0.000 0.445 399 D N 1.227 121.096 120.400 -0.886 0.000 2.336 399 D HA -0.073 4.572 4.640 0.009 0.000 0.228 399 D C -0.696 175.320 176.300 -0.472 0.000 1.120 399 D CA -0.244 53.266 54.000 -0.816 0.000 0.839 399 D CB 0.289 40.828 40.800 -0.435 0.000 0.932 399 D HN 0.305 nan 8.370 nan 0.000 0.509 400 D N 1.197 121.343 120.400 -0.424 0.000 2.359 400 D HA 0.119 4.765 4.640 0.009 0.000 0.230 400 D C -1.591 174.611 176.300 -0.162 0.000 1.118 400 D CA -1.961 51.903 54.000 -0.226 0.000 0.844 400 D CB 1.980 42.678 40.800 -0.170 0.000 1.059 400 D HN 0.068 nan 8.370 nan 0.000 0.493 401 P HA 0.058 nan 4.420 nan 0.000 0.245 401 P C 0.392 177.693 177.300 0.002 0.000 1.212 401 P CA 0.544 63.635 63.100 -0.016 0.000 0.774 401 P CB 0.215 31.918 31.700 0.006 0.000 0.999 402 D N -0.548 119.840 120.400 -0.020 0.000 2.433 402 D HA 0.079 4.724 4.640 0.009 0.000 0.211 402 D C 0.731 177.029 176.300 -0.005 0.000 1.114 402 D CA -0.103 53.894 54.000 -0.005 0.000 0.837 402 D CB -0.222 40.571 40.800 -0.011 0.000 0.984 402 D HN 0.184 nan 8.370 nan 0.000 0.505 403 S N 0.563 116.253 115.700 -0.017 0.000 2.466 403 S HA 0.107 4.583 4.470 0.009 0.000 0.286 403 S C 0.895 175.509 174.600 0.024 0.000 1.221 403 S CA -0.273 57.920 58.200 -0.011 0.000 1.091 403 S CB 1.368 64.546 63.200 -0.037 0.000 0.956 403 S HN 0.238 nan 8.310 nan 0.000 0.501 404 E N 2.940 123.155 120.200 0.025 0.000 2.171 404 E HA -0.181 4.175 4.350 0.009 0.000 0.197 404 E C 1.753 178.388 176.600 0.059 0.000 0.997 404 E CA 1.309 57.733 56.400 0.040 0.000 0.810 404 E CB -0.128 29.590 29.700 0.031 0.000 0.738 404 E HN 0.851 nan 8.360 nan 0.000 0.467 405 E N 0.531 120.762 120.200 0.052 0.000 2.038 405 E HA -0.187 4.169 4.350 0.009 0.000 0.195 405 E C 1.926 178.598 176.600 0.120 0.000 1.000 405 E CA 0.730 57.170 56.400 0.067 0.000 0.803 405 E CB -0.073 29.650 29.700 0.038 0.000 0.750 405 E HN 0.220 nan 8.360 nan 0.000 0.448 406 E N 0.399 120.680 120.200 0.135 0.000 2.204 406 E HA -0.131 4.224 4.350 0.009 0.000 0.195 406 E C 1.890 178.629 176.600 0.231 0.000 0.990 406 E CA 0.866 57.406 56.400 0.234 0.000 0.821 406 E CB -0.092 29.750 29.700 0.237 0.000 0.750 406 E HN 0.230 nan 8.360 nan 0.000 0.477 407 A N 0.728 123.640 122.820 0.153 0.000 1.970 407 A HA -0.116 4.210 4.320 0.009 0.000 0.216 407 A C 1.974 179.630 177.584 0.120 0.000 1.170 407 A CA 0.991 53.103 52.037 0.124 0.000 0.645 407 A CB -0.191 18.861 19.000 0.086 0.000 0.816 407 A HN 0.143 nan 8.150 nan 0.000 0.447 408 E N -1.580 118.697 120.200 0.129 0.000 2.216 408 E HA -0.058 4.298 4.350 0.009 0.000 0.192 408 E C 1.586 178.287 176.600 0.169 0.000 0.988 408 E CA 0.649 57.121 56.400 0.120 0.000 0.834 408 E CB -0.140 29.621 29.700 0.102 0.000 0.772 408 E HN 0.652 nan 8.360 nan 0.000 0.479 409 F N 2.058 122.019 119.950 0.018 0.000 2.060 409 F HA -0.187 4.347 4.527 0.012 0.000 0.295 409 F C 2.232 178.026 175.800 -0.010 0.000 1.120 409 F CA 1.336 59.324 58.000 -0.019 0.000 1.205 409 F CB -0.205 38.753 39.000 -0.070 0.000 0.986 409 F HN -0.115 nan 8.300 nan 0.000 0.470 410 Q N 0.672 120.486 119.800 0.024 0.000 2.197 410 Q HA -0.218 4.127 4.340 0.009 0.000 0.207 410 Q C 2.321 178.280 176.000 -0.069 0.000 0.984 410 Q CA 2.111 57.863 55.803 -0.085 0.000 0.869 410 Q CB -1.180 27.592 28.738 0.057 0.000 0.906 410 Q HN 0.752 nan 8.270 nan 0.000 0.426 411 E N 0.710 120.907 120.200 -0.005 0.000 2.072 411 E HA -0.093 4.263 4.350 0.009 0.000 0.191 411 E C 1.691 178.301 176.600 0.016 0.000 0.985 411 E CA 1.382 57.792 56.400 0.017 0.000 0.801 411 E CB -0.505 29.221 29.700 0.043 0.000 0.750 411 E HN 0.479 nan 8.360 nan 0.000 0.452 412 M N -0.611 118.993 119.600 0.006 0.000 2.254 412 M HA -0.035 4.451 4.480 0.009 0.000 0.265 412 M C 2.387 178.679 176.300 -0.014 0.000 1.066 412 M CA 1.279 56.625 55.300 0.078 0.000 1.123 412 M CB 0.128 32.797 32.600 0.114 0.000 1.388 412 M HN 0.192 nan 8.290 nan 0.000 0.425 413 R N 0.041 120.426 120.500 -0.191 0.000 2.115 413 R HA -0.129 4.217 4.340 0.009 0.000 0.230 413 R C 2.230 178.520 176.300 -0.018 0.000 1.111 413 R CA 1.341 57.340 56.100 -0.168 0.000 0.976 413 R CB -0.297 29.778 30.300 -0.375 0.000 0.870 413 R HN 0.401 nan 8.270 nan 0.000 0.445 414 K N 1.132 121.516 120.400 -0.025 0.000 2.209 414 K HA -0.158 4.168 4.320 0.009 0.000 0.204 414 K C 1.412 177.961 176.600 -0.085 0.000 1.048 414 K CA 1.389 57.665 56.287 -0.018 0.000 0.940 414 K CB 0.223 32.719 32.500 -0.007 0.000 0.729 414 K HN 0.069 nan 8.250 nan 0.000 0.451 415 K N 0.207 120.546 120.400 -0.101 0.000 2.121 415 K HA 0.070 4.396 4.320 0.009 0.000 0.203 415 K C 1.990 178.328 176.600 -0.436 0.000 1.041 415 K CA 0.514 56.635 56.287 -0.278 0.000 0.969 415 K CB -0.058 32.392 32.500 -0.082 0.000 0.799 415 K HN 0.032 nan 8.250 nan 0.000 0.456 416 L N 1.882 123.003 121.223 -0.171 0.000 2.357 416 L HA -0.236 4.109 4.340 0.009 0.000 0.220 416 L C 2.496 179.359 176.870 -0.011 0.000 1.123 416 L CA 1.220 56.051 54.840 -0.015 0.000 0.782 416 L CB -0.332 41.767 42.059 0.068 0.000 0.910 416 L HN 0.237 nan 8.230 nan 0.000 0.442 417 K N 1.040 121.394 120.400 -0.076 0.000 2.137 417 K HA -0.071 4.254 4.320 0.009 0.000 0.202 417 K C 1.972 178.475 176.600 -0.162 0.000 1.052 417 K CA 0.802 57.048 56.287 -0.068 0.000 0.961 417 K CB 0.049 32.517 32.500 -0.053 0.000 0.741 417 K HN 0.287 nan 8.250 nan 0.000 0.452 418 I N 0.395 120.803 120.570 -0.271 0.000 2.676 418 I HA -0.131 4.045 4.170 0.009 0.000 0.259 418 I C 1.389 177.350 176.117 -0.260 0.000 1.194 418 I CA 0.501 61.621 61.300 -0.300 0.000 1.473 418 I CB -0.258 37.525 38.000 -0.361 0.000 1.096 418 I HN 0.012 nan 8.210 nan 0.000 0.443 419 F N 1.576 121.405 119.950 -0.202 0.000 2.206 419 F HA -0.098 4.435 4.527 0.009 0.000 0.298 419 F C 2.663 178.328 175.800 -0.224 0.000 1.090 419 F CA 1.062 58.925 58.000 -0.228 0.000 1.323 419 F CB -0.826 38.004 39.000 -0.283 0.000 1.028 419 F HN 0.087 nan 8.300 nan 0.000 0.492 420 Q N -0.084 119.706 119.800 -0.017 0.000 2.079 420 Q HA -0.157 4.188 4.340 0.009 0.000 0.200 420 Q C 1.626 177.314 176.000 -0.520 0.000 0.974 420 Q CA 1.421 57.138 55.803 -0.145 0.000 0.840 420 Q CB -0.273 28.489 28.738 0.040 0.000 0.898 420 Q HN 0.366 nan 8.270 nan 0.000 0.430 421 D N 0.124 120.287 120.400 -0.396 0.000 2.178 421 D HA -0.092 4.553 4.640 0.009 0.000 0.202 421 D C 1.681 177.783 176.300 -0.329 0.000 0.974 421 D CA 1.293 55.037 54.000 -0.427 0.000 0.841 421 D CB -0.011 40.609 40.800 -0.300 0.000 0.953 421 D HN 0.215 nan 8.370 nan 0.000 0.478 422 T N 1.131 115.551 114.554 -0.224 0.000 2.851 422 T HA 0.027 4.383 4.350 0.009 0.000 0.262 422 T C 2.284 176.889 174.700 -0.159 0.000 1.043 422 T CA 0.204 62.215 62.100 -0.148 0.000 1.140 422 T CB 0.057 68.884 68.868 -0.067 0.000 0.872 422 T HN 0.128 nan 8.240 nan 0.000 0.446 423 I N 2.067 122.526 120.570 -0.185 0.000 2.163 423 I HA -0.220 3.956 4.170 0.009 0.000 0.243 423 I C 2.734 178.748 176.117 -0.171 0.000 1.085 423 I CA 1.023 62.230 61.300 -0.156 0.000 1.347 423 I CB -0.446 37.483 38.000 -0.119 0.000 1.044 423 I HN 0.232 nan 8.210 nan 0.000 0.408 424 N N 1.172 119.648 118.700 -0.374 0.000 2.061 424 N HA -0.197 4.549 4.740 0.009 0.000 0.193 424 N C 1.872 177.274 175.510 -0.179 0.000 1.030 424 N CA 2.201 55.031 53.050 -0.366 0.000 0.856 424 N CB -0.229 37.844 38.487 -0.691 0.000 1.023 424 N HN 0.194 nan 8.380 nan 0.000 0.424 425 S N 0.612 116.204 115.700 -0.181 0.000 2.374 425 S HA -0.086 4.390 4.470 0.009 0.000 0.227 425 S C 2.060 176.620 174.600 -0.067 0.000 1.037 425 S CA 1.314 59.446 58.200 -0.113 0.000 1.024 425 S CB -0.303 62.836 63.200 -0.103 0.000 0.861 425 S HN 0.425 nan 8.310 nan 0.000 0.456 426 I N 0.544 121.078 120.570 -0.060 0.000 2.493 426 I HA -0.042 4.133 4.170 0.009 0.000 0.254 426 I C 0.473 176.585 176.117 -0.009 0.000 1.160 426 I CA 0.804 62.088 61.300 -0.027 0.000 1.445 426 I CB -0.015 37.970 38.000 -0.025 0.000 1.086 426 I HN 0.190 nan 8.210 nan 0.000 0.433 427 D N -0.201 120.195 120.400 -0.006 0.000 2.491 427 D HA 0.030 4.676 4.640 0.009 0.000 0.232 427 D C 0.878 177.212 176.300 0.057 0.000 1.334 427 D CA 0.142 54.157 54.000 0.024 0.000 0.909 427 D CB 0.762 41.582 40.800 0.034 0.000 1.513 427 D HN 0.051 nan 8.370 nan 0.000 0.514 428 S N 0.676 116.399 115.700 0.039 0.000 2.419 428 S HA -0.176 4.300 4.470 0.009 0.000 0.233 428 S C 1.704 176.388 174.600 0.139 0.000 1.016 428 S CA 1.479 59.724 58.200 0.075 0.000 0.974 428 S CB -0.184 63.025 63.200 0.016 0.000 0.786 428 S HN 0.344 nan 8.310 nan 0.000 0.492 429 S N 1.790 117.547 115.700 0.095 0.000 2.414 429 S HA 0.132 4.608 4.470 0.009 0.000 0.227 429 S C 1.704 176.366 174.600 0.104 0.000 1.022 429 S CA 0.558 58.811 58.200 0.089 0.000 0.958 429 S CB -0.622 62.609 63.200 0.051 0.000 0.797 429 S HN 0.394 nan 8.310 nan 0.000 0.493 430 L N 1.028 122.317 121.223 0.110 0.000 2.044 430 L HA 0.211 4.557 4.340 0.009 0.000 0.205 430 L C 2.021 178.982 176.870 0.151 0.000 1.075 430 L CA 1.451 56.355 54.840 0.106 0.000 0.747 430 L CB -1.231 40.872 42.059 0.073 0.000 0.903 430 L HN 0.294 nan 8.230 nan 0.000 0.435 431 F N 0.088 120.070 119.950 0.053 0.000 2.051 431 F HA -0.199 4.334 4.527 0.009 0.000 0.296 431 F C 2.499 178.418 175.800 0.198 0.000 1.122 431 F CA 1.845 59.898 58.000 0.088 0.000 1.201 431 F CB -0.727 38.283 39.000 0.017 0.000 0.978 431 F HN 0.134 nan 8.300 nan 0.000 0.472 432 S N 0.526 116.356 115.700 0.217 0.000 2.404 432 S HA -0.337 4.138 4.470 0.009 0.000 0.230 432 S C 2.263 176.902 174.600 0.065 0.000 1.046 432 S CA 2.412 60.752 58.200 0.232 0.000 1.135 432 S CB -1.193 62.156 63.200 0.248 0.000 1.056 432 S HN 0.668 nan 8.310 nan 0.000 0.426 433 S N 1.220 116.955 115.700 0.058 0.000 2.359 433 S HA -0.273 4.202 4.470 0.009 0.000 0.222 433 S C 1.732 176.347 174.600 0.026 0.000 1.038 433 S CA 1.772 59.994 58.200 0.037 0.000 1.051 433 S CB -1.292 61.932 63.200 0.040 0.000 0.944 433 S HN 0.538 nan 8.310 nan 0.000 0.433 434 Y N 1.370 121.620 120.300 -0.083 0.000 2.181 434 Y HA -0.203 4.352 4.550 0.009 0.000 0.284 434 Y C 2.555 178.350 175.900 -0.176 0.000 1.179 434 Y CA 2.033 60.062 58.100 -0.119 0.000 1.179 434 Y CB -0.379 37.997 38.460 -0.140 0.000 0.973 434 Y HN 0.297 nan 8.280 nan 0.000 0.519 435 M N -1.227 118.257 119.600 -0.193 0.000 2.193 435 M HA -0.108 4.378 4.480 0.009 0.000 0.265 435 M C 1.969 178.120 176.300 -0.250 0.000 1.071 435 M CA 1.574 56.725 55.300 -0.248 0.000 1.140 435 M CB -1.165 31.239 32.600 -0.326 0.000 1.369 435 M HN 0.436 nan 8.290 nan 0.000 0.423 436 Y N 0.304 120.417 120.300 -0.311 0.000 2.114 436 Y HA -0.296 4.260 4.550 0.010 0.000 0.282 436 Y C 2.470 178.220 175.900 -0.250 0.000 1.165 436 Y CA 2.574 60.486 58.100 -0.313 0.000 1.148 436 Y CB -0.764 37.531 38.460 -0.276 0.000 0.972 436 Y HN 0.466 nan 8.280 nan 0.000 0.504 437 S N 0.010 115.565 115.700 -0.241 0.000 2.447 437 S HA -0.079 4.397 4.470 0.009 0.000 0.233 437 S C 2.098 176.483 174.600 -0.357 0.000 1.006 437 S CA 0.679 58.700 58.200 -0.299 0.000 0.957 437 S CB -0.810 62.277 63.200 -0.188 0.000 0.773 437 S HN 0.542 nan 8.310 nan 0.000 0.507 438 A N 1.933 124.534 122.820 -0.365 0.000 1.898 438 A HA 0.249 4.575 4.320 0.009 0.000 0.214 438 A C 2.186 179.705 177.584 -0.109 0.000 1.183 438 A CA 1.102 53.011 52.037 -0.213 0.000 0.622 438 A CB -0.631 18.298 19.000 -0.118 0.000 0.824 438 A HN 0.575 nan 8.150 nan 0.000 0.444 439 I N -0.752 119.668 120.570 -0.250 0.000 2.286 439 I HA -0.170 4.006 4.170 0.009 0.000 0.245 439 I C 2.554 178.488 176.117 -0.305 0.000 1.104 439 I CA 1.583 62.717 61.300 -0.277 0.000 1.397 439 I CB -0.765 37.014 38.000 -0.369 0.000 1.072 439 I HN 0.209 nan 8.210 nan 0.000 0.417 440 T N 0.203 114.459 114.554 -0.497 0.000 2.674 440 T HA -0.164 4.192 4.350 0.009 0.000 0.265 440 T C 2.191 176.740 174.700 -0.252 0.000 1.039 440 T CA 1.866 63.692 62.100 -0.456 0.000 1.150 440 T CB -0.202 68.253 68.868 -0.687 0.000 0.864 440 T HN 0.227 nan 8.240 nan 0.000 0.427 441 S N 1.207 116.769 115.700 -0.230 0.000 2.359 441 S HA -0.152 4.324 4.470 0.009 0.000 0.222 441 S C 2.501 177.045 174.600 -0.092 0.000 1.038 441 S CA 1.536 59.651 58.200 -0.142 0.000 1.051 441 S CB -0.566 62.550 63.200 -0.141 0.000 0.944 441 S HN 0.443 nan 8.310 nan 0.000 0.433 442 S N 1.306 116.974 115.700 -0.053 0.000 2.383 442 S HA -0.029 4.446 4.470 0.009 0.000 0.229 442 S C 1.782 176.370 174.600 -0.020 0.000 1.030 442 S CA 1.027 59.232 58.200 0.009 0.000 1.002 442 S CB -0.423 62.886 63.200 0.182 0.000 0.829 442 S HN 0.354 nan 8.310 nan 0.000 0.467 443 L N 0.820 122.010 121.223 -0.055 0.000 2.072 443 L HA -0.079 4.266 4.340 0.009 0.000 0.205 443 L C 2.562 179.402 176.870 -0.050 0.000 1.079 443 L CA 0.854 55.660 54.840 -0.056 0.000 0.752 443 L CB -0.709 41.301 42.059 -0.082 0.000 0.906 443 L HN 0.267 nan 8.230 nan 0.000 0.436 444 S N -0.310 115.352 115.700 -0.063 0.000 2.365 444 S HA -0.224 4.252 4.470 0.009 0.000 0.221 444 S C 1.982 176.559 174.600 -0.037 0.000 1.037 444 S CA 2.141 60.311 58.200 -0.050 0.000 1.060 444 S CB -0.591 62.573 63.200 -0.059 0.000 0.974 444 S HN 0.431 nan 8.310 nan 0.000 0.427 445 T N 2.525 117.054 114.554 -0.042 0.000 2.737 445 T HA -0.130 4.225 4.350 0.009 0.000 0.269 445 T C 2.077 176.761 174.700 -0.027 0.000 1.040 445 T CA 1.273 63.351 62.100 -0.036 0.000 1.142 445 T CB -0.630 68.210 68.868 -0.046 0.000 0.861 445 T HN 0.486 nan 8.240 nan 0.000 0.456 446 A N 1.556 124.360 122.820 -0.025 0.000 1.908 446 A HA 0.080 4.406 4.320 0.009 0.000 0.218 446 A C 2.653 180.244 177.584 0.011 0.000 1.181 446 A CA 1.860 53.891 52.037 -0.011 0.000 0.627 446 A CB -1.117 17.875 19.000 -0.013 0.000 0.818 446 A HN 0.538 nan 8.150 nan 0.000 0.445 447 A N -1.279 121.543 122.820 0.003 0.000 2.125 447 A HA -0.032 4.294 4.320 0.009 0.000 0.219 447 A C 1.916 179.504 177.584 0.007 0.000 1.156 447 A CA 1.905 53.947 52.037 0.009 0.000 0.671 447 A CB -0.867 18.132 19.000 -0.002 0.000 0.794 447 A HN 0.398 nan 8.150 nan 0.000 0.459 448 T N -0.007 114.547 114.554 -0.000 0.000 3.188 448 T HA 0.419 4.774 4.350 0.009 0.000 0.250 448 T C 0.164 174.866 174.700 0.004 0.000 1.077 448 T CA 0.184 62.283 62.100 -0.002 0.000 0.967 448 T CB -0.458 68.404 68.868 -0.010 0.000 1.006 448 T HN 0.271 nan 8.240 nan 0.000 0.552 449 L N 0.999 122.230 121.223 0.014 0.000 2.323 449 L HA 0.509 4.854 4.340 0.009 0.000 0.265 449 L C 0.382 177.275 176.870 0.039 0.000 1.012 449 L CA -1.255 53.598 54.840 0.022 0.000 0.820 449 L CB 1.665 43.735 42.059 0.018 0.000 1.334 449 L HN 0.015 nan 8.230 nan 0.000 0.427 450 S N 0.686 116.410 115.700 0.040 0.000 2.537 450 S HA 0.104 4.580 4.470 0.009 0.000 0.286 450 S C -1.525 173.121 174.600 0.076 0.000 1.299 450 S CA -0.908 57.318 58.200 0.044 0.000 1.067 450 S CB 0.429 63.654 63.200 0.040 0.000 0.864 450 S HN 0.550 nan 8.310 nan 0.000 0.494 451 P HA -0.309 nan 4.420 nan 0.000 0.218 451 P C 1.405 178.811 177.300 0.176 0.000 1.154 451 P CA 1.972 65.111 63.100 0.065 0.000 0.872 451 P CB 0.028 31.665 31.700 -0.104 0.000 0.790 452 E N -0.193 120.084 120.200 0.128 0.000 2.171 452 E HA -0.218 4.138 4.350 0.009 0.000 0.197 452 E C 0.697 177.471 176.600 0.291 0.000 0.997 452 E CA 1.182 57.689 56.400 0.178 0.000 0.810 452 E CB -0.355 29.410 29.700 0.109 0.000 0.738 452 E HN 0.078 nan 8.360 nan 0.000 0.467 453 N N -0.517 118.317 118.700 0.223 0.000 2.644 453 N HA 0.103 4.849 4.740 0.009 0.000 0.313 453 N C -0.667 174.892 175.510 0.082 0.000 1.863 453 N CA 0.306 53.466 53.050 0.183 0.000 0.918 453 N CB 1.223 39.771 38.487 0.102 0.000 1.320 453 N HN 0.185 nan 8.380 nan 0.000 0.490 454 S N -1.691 114.093 115.700 0.141 0.000 2.651 454 S HA 0.035 4.511 4.470 0.009 0.000 0.259 454 S C 1.838 176.394 174.600 -0.073 0.000 1.073 454 S CA -0.665 57.555 58.200 0.034 0.000 1.090 454 S CB -0.565 62.711 63.200 0.126 0.000 1.042 454 S HN 0.418 nan 8.310 nan 0.000 0.581 455 W N 2.666 123.898 121.300 -0.113 0.000 2.304 455 W HA -0.252 4.412 4.660 0.006 0.000 0.315 455 W C 1.319 177.646 176.519 -0.319 0.000 1.233 455 W CA 1.692 58.812 57.345 -0.375 0.000 1.261 455 W CB -1.427 27.758 29.460 -0.459 0.000 1.150 455 W HN 0.312 nan 8.180 nan 0.000 0.494 456 Q N 1.015 119.981 119.800 -1.390 0.000 2.062 456 Q HA -0.194 4.152 4.340 0.009 0.000 0.209 456 Q C 2.572 178.353 176.000 -0.364 0.000 0.996 456 Q CA 2.946 58.081 55.803 -1.113 0.000 0.859 456 Q CB -1.068 27.049 28.738 -1.036 0.000 0.920 456 Q HN 0.401 nan 8.270 nan 0.000 0.415 457 L N -0.364 120.692 121.223 -0.278 0.000 2.083 457 L HA -0.173 4.173 4.340 0.009 0.000 0.209 457 L C 2.115 178.997 176.870 0.021 0.000 1.083 457 L CA 0.960 55.754 54.840 -0.077 0.000 0.752 457 L CB -0.235 41.770 42.059 -0.091 0.000 0.899 457 L HN 0.314 nan 8.230 nan 0.000 0.433 458 I N -1.150 119.376 120.570 -0.073 0.000 2.333 458 I HA -0.201 3.975 4.170 0.009 0.000 0.246 458 I C 2.590 178.696 176.117 -0.018 0.000 1.106 458 I CA 0.669 61.930 61.300 -0.065 0.000 1.411 458 I CB -0.410 37.487 38.000 -0.173 0.000 1.082 458 I HN 0.270 nan 8.210 nan 0.000 0.420 459 E N 1.533 121.722 120.200 -0.019 0.000 2.118 459 E HA -0.283 4.073 4.350 0.009 0.000 0.195 459 E C 2.126 178.840 176.600 0.191 0.000 0.992 459 E CA 1.679 58.121 56.400 0.070 0.000 0.804 459 E CB -0.247 29.498 29.700 0.076 0.000 0.741 459 E HN 0.453 nan 8.360 nan 0.000 0.458 460 F N 1.020 121.018 119.950 0.079 0.000 2.146 460 F HA -0.062 4.471 4.527 0.010 0.000 0.298 460 F C 2.157 178.041 175.800 0.140 0.000 1.096 460 F CA 1.680 59.765 58.000 0.140 0.000 1.275 460 F CB -0.616 38.421 39.000 0.063 0.000 1.008 460 F HN 0.044 nan 8.300 nan 0.000 0.480 461 A N 1.025 123.749 122.820 -0.161 0.000 1.877 461 A HA -0.134 4.192 4.320 0.009 0.000 0.216 461 A C 2.278 179.742 177.584 -0.200 0.000 1.186 461 A CA 1.928 53.801 52.037 -0.272 0.000 0.620 461 A CB -1.264 17.681 19.000 -0.093 0.000 0.822 461 A HN 0.500 nan 8.150 nan 0.000 0.443 462 L N -2.060 119.133 121.223 -0.051 0.000 2.395 462 L HA -0.089 4.257 4.340 0.009 0.000 0.218 462 L C 2.442 179.371 176.870 0.098 0.000 1.130 462 L CA 0.822 55.680 54.840 0.030 0.000 0.826 462 L CB -0.468 41.641 42.059 0.082 0.000 0.941 462 L HN 0.583 nan 8.230 nan 0.000 0.451 463 Y N 1.288 121.566 120.300 -0.037 0.000 2.114 463 Y HA -0.191 4.366 4.550 0.011 0.000 0.284 463 Y C 2.618 178.530 175.900 0.021 0.000 1.119 463 Y CA 1.397 59.525 58.100 0.046 0.000 1.108 463 Y CB -0.112 38.376 38.460 0.047 0.000 0.995 463 Y HN 0.054 nan 8.280 nan 0.000 0.491 464 E N -0.246 119.789 120.200 -0.276 0.000 2.086 464 E HA -0.231 4.124 4.350 0.009 0.000 0.200 464 E C 2.072 178.596 176.600 -0.128 0.000 1.012 464 E CA 2.205 58.442 56.400 -0.272 0.000 0.812 464 E CB -0.709 28.767 29.700 -0.374 0.000 0.743 464 E HN 0.547 nan 8.360 nan 0.000 0.453 465 T N 0.926 115.407 114.554 -0.123 0.000 2.652 465 T HA -0.214 4.142 4.350 0.009 0.000 0.267 465 T C 1.726 176.458 174.700 0.053 0.000 1.039 465 T CA 1.540 63.595 62.100 -0.075 0.000 1.153 465 T CB -0.692 68.117 68.868 -0.097 0.000 0.863 465 T HN 0.212 nan 8.240 nan 0.000 0.428 466 Y N 2.141 122.434 120.300 -0.012 0.000 2.181 466 Y HA -0.173 4.383 4.550 0.009 0.000 0.284 466 Y C 1.916 177.879 175.900 0.105 0.000 1.179 466 Y CA 0.936 59.100 58.100 0.107 0.000 1.179 466 Y CB -0.574 37.902 38.460 0.027 0.000 0.973 466 Y HN 0.317 nan 8.280 nan 0.000 0.519 467 I N -2.726 117.705 120.570 -0.230 0.000 2.867 467 I HA -0.100 4.075 4.170 0.009 0.000 0.265 467 I C 2.090 178.142 176.117 -0.108 0.000 1.162 467 I CA 0.444 61.569 61.300 -0.292 0.000 1.471 467 I CB -0.801 36.989 38.000 -0.352 0.000 1.123 467 I HN 0.057 nan 8.210 nan 0.000 0.440 468 F N 3.212 123.088 119.950 -0.124 0.000 2.101 468 F HA -0.263 4.270 4.527 0.009 0.000 0.298 468 F C 1.743 177.517 175.800 -0.044 0.000 1.076 468 F CA 1.867 59.834 58.000 -0.056 0.000 1.248 468 F CB -0.224 38.712 39.000 -0.107 0.000 0.999 468 F HN 0.061 nan 8.300 nan 0.000 0.488 469 G N 0.372 109.223 108.800 0.086 0.000 4.757 469 G HA2 0.143 4.108 3.960 0.009 0.000 0.303 469 G HA3 0.143 4.108 3.960 0.009 0.000 0.303 469 G C -0.698 174.230 174.900 0.048 0.000 1.318 469 G CA -0.380 44.750 45.100 0.049 0.000 1.020 469 G HN 0.306 nan 8.290 nan 0.000 0.589 470 E N 0.479 120.610 120.200 -0.114 0.000 2.257 470 E HA 0.435 4.790 4.350 0.009 0.000 0.278 470 E C 1.400 177.901 176.600 -0.165 0.000 1.049 470 E CA 0.682 56.965 56.400 -0.196 0.000 0.876 470 E CB 0.468 30.024 29.700 -0.241 0.000 1.035 470 E HN 0.432 nan 8.360 nan 0.000 0.419 471 G N 4.270 112.980 108.800 -0.149 0.000 2.336 471 G HA2 -0.288 3.678 3.960 0.009 0.000 0.233 471 G HA3 -0.288 3.678 3.960 0.009 0.000 0.233 471 G C 0.361 175.197 174.900 -0.107 0.000 1.053 471 G CA 0.082 45.111 45.100 -0.119 0.000 0.625 471 G HN 0.545 nan 8.290 nan 0.000 0.511 472 L N 1.550 122.701 121.223 -0.120 0.000 2.404 472 L HA 0.560 4.906 4.340 0.009 0.000 0.277 472 L C 1.771 178.561 176.870 -0.134 0.000 1.184 472 L CA 0.473 55.235 54.840 -0.129 0.000 1.013 472 L CB 0.201 42.168 42.059 -0.154 0.000 1.318 472 L HN 0.435 nan 8.230 nan 0.000 0.435 473 R N 2.387 122.830 120.500 -0.095 0.000 2.508 473 R HA 0.373 4.719 4.340 0.009 0.000 0.300 473 R C 0.670 176.973 176.300 0.006 0.000 0.970 473 R CA 0.364 56.434 56.100 -0.050 0.000 1.102 473 R CB 0.155 30.447 30.300 -0.012 0.000 1.246 473 R HN 0.603 nan 8.270 nan 0.000 0.539 474 G N 0.700 109.486 108.800 -0.023 0.000 2.537 474 G HA2 0.417 4.382 3.960 0.009 0.000 0.273 474 G HA3 0.417 4.382 3.960 0.009 0.000 0.273 474 G C -1.335 173.626 174.900 0.103 0.000 1.189 474 G CA -0.759 44.373 45.100 0.053 0.000 0.881 474 G HN 0.098 nan 8.290 nan 0.000 0.535 475 P HA -0.068 nan 4.420 nan 0.000 0.234 475 P C 0.297 177.774 177.300 0.295 0.000 1.162 475 P CA 0.847 64.212 63.100 0.443 0.000 0.759 475 P CB 0.337 32.283 31.700 0.409 0.000 0.813 476 D N -0.199 120.266 120.400 0.109 0.000 2.349 476 D HA 0.065 4.711 4.640 0.009 0.000 0.215 476 D C 1.806 178.070 176.300 -0.059 0.000 1.016 476 D CA 0.404 54.434 54.000 0.049 0.000 0.870 476 D CB 0.182 40.996 40.800 0.023 0.000 0.917 476 D HN 0.220 nan 8.370 nan 0.000 0.524 477 A N 0.094 122.778 122.820 -0.227 0.000 2.021 477 A HA 0.034 4.359 4.320 0.009 0.000 0.216 477 A C 1.678 178.995 177.584 -0.446 0.000 1.163 477 A CA 0.517 52.312 52.037 -0.404 0.000 0.676 477 A CB -0.407 18.193 19.000 -0.668 0.000 0.818 477 A HN 0.101 nan 8.150 nan 0.000 0.453 478 F N -1.940 117.981 119.950 -0.048 0.000 2.274 478 F HA 0.332 4.865 4.527 0.009 0.000 0.288 478 F C 0.181 175.572 175.800 -0.681 0.000 1.069 478 F CA 0.014 57.814 58.000 -0.333 0.000 1.343 478 F CB 0.144 39.029 39.000 -0.193 0.000 1.089 478 F HN 0.026 nan 8.300 nan 0.000 0.517 479 F N -0.006 120.011 119.950 0.112 0.000 2.551 479 F HA 0.273 4.805 4.527 0.010 0.000 0.316 479 F C 0.028 175.829 175.800 0.002 0.000 1.089 479 F CA -1.669 56.340 58.000 0.015 0.000 0.915 479 F CB 0.553 39.514 39.000 -0.065 0.000 1.186 479 F HN -0.266 nan 8.300 nan 0.000 0.456 480 N N 1.827 120.619 118.700 0.154 0.000 2.411 480 N HA -0.009 4.737 4.740 0.009 0.000 0.261 480 N C 0.950 176.513 175.510 0.087 0.000 1.248 480 N CA 0.935 54.036 53.050 0.085 0.000 0.885 480 N CB 1.249 39.770 38.487 0.057 0.000 1.062 480 N HN 0.922 nan 8.380 nan 0.000 0.471 481 E N 2.828 123.065 120.200 0.062 0.000 2.455 481 E HA -0.061 4.294 4.350 0.009 0.000 0.202 481 E C 1.346 177.967 176.600 0.036 0.000 1.045 481 E CA 1.556 57.986 56.400 0.051 0.000 0.872 481 E CB -0.110 29.613 29.700 0.037 0.000 0.792 481 E HN 0.552 nan 8.360 nan 0.000 0.542 482 V N -0.470 119.464 119.914 0.033 0.000 3.058 482 V HA 0.028 4.154 4.120 0.009 0.000 0.233 482 V C 1.902 178.009 176.094 0.022 0.000 1.255 482 V CA 0.672 62.985 62.300 0.023 0.000 1.267 482 V CB 0.925 32.758 31.823 0.017 0.000 1.049 482 V HN 0.534 nan 8.190 nan 0.000 0.486 483 D N 0.977 121.394 120.400 0.028 0.000 2.305 483 D HA 0.005 4.651 4.640 0.009 0.000 0.206 483 D C 1.470 177.792 176.300 0.037 0.000 0.974 483 D CA 1.235 55.250 54.000 0.026 0.000 0.871 483 D CB 0.495 41.310 40.800 0.024 0.000 0.947 483 D HN 0.421 nan 8.370 nan 0.000 0.516 484 K N -0.014 120.421 120.400 0.059 0.000 3.407 484 K HA -0.177 4.148 4.320 0.009 0.000 0.312 484 K C 0.544 177.246 176.600 0.170 0.000 1.302 484 K CA 1.211 57.547 56.287 0.082 0.000 0.931 484 K CB -3.105 29.393 32.500 -0.003 0.000 1.257 484 K HN 0.462 nan 8.250 nan 0.000 0.454 485 S N 1.095 116.873 115.700 0.129 0.000 2.603 485 S HA 0.621 5.097 4.470 0.009 0.000 0.268 485 S C -1.515 173.155 174.600 0.117 0.000 1.317 485 S CA -0.764 57.506 58.200 0.117 0.000 1.012 485 S CB 1.315 64.540 63.200 0.042 0.000 0.926 485 S HN 0.595 nan 8.310 nan 0.000 0.539 486 P HA 0.129 nan 4.420 nan 0.000 0.269 486 P C -0.534 176.676 177.300 -0.151 0.000 1.215 486 P CA -0.117 62.889 63.100 -0.155 0.000 0.780 486 P CB 0.272 31.895 31.700 -0.128 0.000 0.898 487 T N 0.987 115.411 114.554 -0.216 0.000 2.929 487 T HA 0.154 4.510 4.350 0.009 0.000 0.284 487 T C 1.734 176.339 174.700 -0.157 0.000 1.014 487 T CA -0.643 61.374 62.100 -0.139 0.000 1.051 487 T CB 0.966 69.759 68.868 -0.124 0.000 1.028 487 T HN 0.089 nan 8.240 nan 0.000 0.485 488 V N 2.230 122.078 119.914 -0.111 0.000 2.636 488 V HA -0.153 3.973 4.120 0.009 0.000 0.258 488 V C 2.207 178.104 176.094 -0.328 0.000 1.092 488 V CA 1.380 63.564 62.300 -0.195 0.000 1.110 488 V CB -0.901 30.871 31.823 -0.084 0.000 0.685 488 V HN 0.651 nan 8.190 nan 0.000 0.481 489 L N 0.175 121.297 121.223 -0.168 0.000 2.007 489 L HA -0.072 4.274 4.340 0.009 0.000 0.205 489 L C 2.564 179.196 176.870 -0.395 0.000 1.073 489 L CA 2.217 56.906 54.840 -0.251 0.000 0.744 489 L CB -0.978 41.031 42.059 -0.085 0.000 0.898 489 L HN 0.230 nan 8.230 nan 0.000 0.435 490 S N -0.448 115.067 115.700 -0.309 0.000 2.380 490 S HA -0.247 4.229 4.470 0.009 0.000 0.229 490 S C 1.865 176.303 174.600 -0.270 0.000 1.043 490 S CA 1.531 59.533 58.200 -0.331 0.000 1.038 490 S CB -0.322 62.732 63.200 -0.242 0.000 0.872 490 S HN 0.549 nan 8.310 nan 0.000 0.456 491 Q N 0.129 119.792 119.800 -0.229 0.000 2.123 491 Q HA 0.079 4.425 4.340 0.009 0.000 0.199 491 Q C 2.244 178.186 176.000 -0.098 0.000 0.966 491 Q CA 0.814 56.529 55.803 -0.147 0.000 0.845 491 Q CB -0.304 28.301 28.738 -0.221 0.000 0.907 491 Q HN 0.560 nan 8.270 nan 0.000 0.439 492 I N 0.567 121.005 120.570 -0.220 0.000 2.163 492 I HA -0.277 3.898 4.170 0.009 0.000 0.240 492 I C 2.355 178.304 176.117 -0.281 0.000 1.081 492 I CA 0.863 62.008 61.300 -0.259 0.000 1.353 492 I CB -0.302 37.395 38.000 -0.504 0.000 1.054 492 I HN 0.139 nan 8.210 nan 0.000 0.407 493 L N 0.584 121.548 121.223 -0.431 0.000 2.012 493 L HA -0.267 4.079 4.340 0.009 0.000 0.210 493 L C 2.900 179.648 176.870 -0.204 0.000 1.073 493 L CA 1.549 56.110 54.840 -0.466 0.000 0.748 493 L CB -0.789 40.669 42.059 -1.002 0.000 0.891 493 L HN 0.280 nan 8.230 nan 0.000 0.431 494 A N 0.173 122.920 122.820 -0.121 0.000 1.859 494 A HA -0.295 4.030 4.320 0.009 0.000 0.217 494 A C 2.185 179.806 177.584 0.063 0.000 1.198 494 A CA 2.135 54.232 52.037 0.100 0.000 0.629 494 A CB -1.021 18.051 19.000 0.121 0.000 0.830 494 A HN 0.347 nan 8.150 nan 0.000 0.446 495 L N 0.235 121.467 121.223 0.016 0.000 1.991 495 L HA -0.214 4.132 4.340 0.009 0.000 0.221 495 L C 2.413 179.290 176.870 0.012 0.000 1.079 495 L CA 2.607 57.452 54.840 0.009 0.000 0.778 495 L CB -1.061 40.978 42.059 -0.033 0.000 0.893 495 L HN 0.198 nan 8.230 nan 0.000 0.437 496 V N -0.652 119.259 119.914 -0.004 0.000 2.287 496 V HA -0.331 3.795 4.120 0.009 0.000 0.248 496 V C 2.482 178.670 176.094 0.156 0.000 1.053 496 V CA 2.344 64.674 62.300 0.049 0.000 1.027 496 V CB -1.212 30.624 31.823 0.022 0.000 0.646 496 V HN 0.599 nan 8.190 nan 0.000 0.447 497 T N -0.622 114.039 114.554 0.178 0.000 2.833 497 T HA -0.167 4.189 4.350 0.009 0.000 0.269 497 T C 1.801 176.613 174.700 0.187 0.000 1.054 497 T CA 1.977 64.235 62.100 0.264 0.000 1.135 497 T CB -0.292 68.790 68.868 0.357 0.000 0.869 497 T HN 0.558 nan 8.240 nan 0.000 0.466 498 T N 2.017 116.648 114.554 0.127 0.000 3.067 498 T HA 0.088 4.444 4.350 0.009 0.000 0.257 498 T C 1.198 175.923 174.700 0.041 0.000 1.105 498 T CA 0.160 62.309 62.100 0.081 0.000 1.104 498 T CB -0.045 68.865 68.868 0.071 0.000 0.925 498 T HN 0.538 nan 8.240 nan 0.000 0.498 499 S N 1.011 116.731 115.700 0.033 0.000 2.603 499 S HA 0.448 4.923 4.470 0.009 0.000 0.268 499 S C 1.648 176.226 174.600 -0.037 0.000 1.317 499 S CA -0.102 58.097 58.200 -0.002 0.000 1.012 499 S CB 0.901 64.096 63.200 -0.008 0.000 0.926 499 S HN 0.405 nan 8.310 nan 0.000 0.539 500 Q N 1.199 120.974 119.800 -0.043 0.000 2.224 500 Q HA 0.006 4.352 4.340 0.009 0.000 0.203 500 Q C 2.206 178.134 176.000 -0.119 0.000 0.970 500 Q CA 1.718 57.482 55.803 -0.065 0.000 0.865 500 Q CB -1.671 27.049 28.738 -0.031 0.000 0.922 500 Q HN 0.905 nan 8.270 nan 0.000 0.445 501 V N 1.274 121.126 119.914 -0.104 0.000 2.354 501 V HA -0.510 3.616 4.120 0.009 0.000 0.250 501 V C 2.762 178.666 176.094 -0.316 0.000 1.088 501 V CA 2.604 64.813 62.300 -0.151 0.000 1.104 501 V CB -2.232 29.510 31.823 -0.135 0.000 0.847 501 V HN 1.084 nan 8.190 nan 0.000 0.468 502 C N 0.831 119.734 119.300 -0.661 0.000 2.400 502 C HA -0.028 4.438 4.460 0.009 0.000 0.291 502 C C 2.714 177.521 174.990 -0.305 0.000 1.372 502 C CA 1.183 59.653 59.018 -0.914 0.000 1.800 502 C CB -2.168 24.831 27.740 -1.234 0.000 1.869 502 C HN 0.700 nan 8.230 nan 0.000 0.533 503 R N -0.715 119.689 120.500 -0.160 0.000 2.334 503 R HA 0.274 4.620 4.340 0.009 0.000 0.216 503 R C 0.641 176.927 176.300 -0.022 0.000 0.905 503 R CA 0.483 56.551 56.100 -0.053 0.000 1.064 503 R CB -1.218 29.051 30.300 -0.052 0.000 1.046 503 R HN 0.897 nan 8.270 nan 0.000 0.508 504 H N 1.223 120.251 119.070 -0.070 0.000 2.683 504 H HA 0.202 4.763 4.556 0.009 0.000 0.339 504 H C -1.120 174.208 175.328 -0.000 0.000 1.081 504 H CA -1.170 54.865 56.048 -0.021 0.000 1.432 504 H CB 1.838 31.594 29.762 -0.009 0.000 1.462 504 H HN 0.019 nan 8.280 nan 0.000 0.557 505 P HA -0.146 nan 4.420 nan 0.000 0.216 505 P C -0.019 177.350 177.300 0.114 0.000 1.153 505 P CA 0.941 64.037 63.100 -0.007 0.000 0.844 505 P CB 0.094 31.728 31.700 -0.110 0.000 0.787 506 H N 1.366 120.574 119.070 0.230 0.000 3.094 506 H HA -0.005 4.556 4.556 0.009 0.000 0.320 506 H C -1.283 173.992 175.328 -0.089 0.000 1.000 506 H CA -0.584 55.475 56.048 0.019 0.000 1.413 506 H CB 0.489 30.223 29.762 -0.046 0.000 1.405 506 H HN -0.053 nan 8.280 nan 0.000 0.586 507 P HA -0.269 nan 4.420 nan 0.000 0.213 507 P C 1.561 178.816 177.300 -0.075 0.000 1.176 507 P CA 1.532 64.540 63.100 -0.154 0.000 0.919 507 P CB 0.132 31.680 31.700 -0.254 0.000 0.791 508 L N -1.302 119.823 121.223 -0.164 0.000 2.089 508 L HA -0.205 4.141 4.340 0.009 0.000 0.213 508 L C 2.353 179.183 176.870 -0.066 0.000 1.079 508 L CA 1.508 56.208 54.840 -0.232 0.000 0.758 508 L CB -1.202 40.532 42.059 -0.540 0.000 0.891 508 L HN -0.081 nan 8.230 nan 0.000 0.433 509 V N -0.753 119.152 119.914 -0.016 0.000 2.323 509 V HA -0.258 3.867 4.120 0.009 0.000 0.244 509 V C 2.429 178.560 176.094 0.061 0.000 1.041 509 V CA 1.617 63.913 62.300 -0.007 0.000 1.025 509 V CB -0.524 31.257 31.823 -0.070 0.000 0.656 509 V HN 0.465 nan 8.190 nan 0.000 0.451 510 Q N -0.441 119.408 119.800 0.081 0.000 2.084 510 Q HA -0.145 4.201 4.340 0.009 0.000 0.202 510 Q C 2.357 178.445 176.000 0.147 0.000 0.978 510 Q CA 1.538 57.418 55.803 0.128 0.000 0.844 510 Q CB -0.218 28.579 28.738 0.099 0.000 0.898 510 Q HN 0.527 nan 8.270 nan 0.000 0.426 511 L N 0.108 121.378 121.223 0.078 0.000 1.955 511 L HA -0.229 4.117 4.340 0.009 0.000 0.213 511 L C 2.347 179.248 176.870 0.052 0.000 1.072 511 L CA 0.779 55.657 54.840 0.064 0.000 0.755 511 L CB -0.495 41.583 42.059 0.031 0.000 0.888 511 L HN 0.284 nan 8.230 nan 0.000 0.432 512 L N -0.938 120.302 121.223 0.027 0.000 2.197 512 L HA -0.299 4.047 4.340 0.009 0.000 0.215 512 L C 2.295 179.190 176.870 0.042 0.000 1.095 512 L CA 1.756 56.588 54.840 -0.014 0.000 0.764 512 L CB -0.806 41.278 42.059 0.042 0.000 0.897 512 L HN 0.232 nan 8.230 nan 0.000 0.436 513 Y N -0.667 119.619 120.300 -0.023 0.000 2.163 513 Y HA -0.240 4.316 4.550 0.010 0.000 0.288 513 Y C 2.429 178.312 175.900 -0.027 0.000 1.136 513 Y CA 2.048 60.127 58.100 -0.037 0.000 1.147 513 Y CB -0.196 38.210 38.460 -0.090 0.000 0.987 513 Y HN 0.181 nan 8.280 nan 0.000 0.509 514 M N -0.347 119.290 119.600 0.062 0.000 2.159 514 M HA -0.183 4.302 4.480 0.009 0.000 0.263 514 M C 1.896 178.233 176.300 0.061 0.000 1.063 514 M CA 1.490 56.796 55.300 0.010 0.000 1.110 514 M CB -0.352 32.351 32.600 0.171 0.000 1.374 514 M HN 0.165 nan 8.290 nan 0.000 0.411 515 E N 1.006 121.207 120.200 0.002 0.000 2.077 515 E HA -0.131 4.224 4.350 0.009 0.000 0.193 515 E C 1.988 178.633 176.600 0.075 0.000 0.989 515 E CA 1.333 57.692 56.400 -0.068 0.000 0.800 515 E CB -0.457 28.993 29.700 -0.416 0.000 0.746 515 E HN 0.595 nan 8.360 nan 0.000 0.452 516 I N 0.778 121.401 120.570 0.088 0.000 2.226 516 I HA -0.253 3.923 4.170 0.009 0.000 0.245 516 I C 2.469 178.783 176.117 0.328 0.000 1.100 516 I CA 0.817 62.312 61.300 0.325 0.000 1.374 516 I CB -0.277 37.826 38.000 0.172 0.000 1.057 516 I HN 0.045 nan 8.210 nan 0.000 0.413 517 L N -0.084 121.188 121.223 0.082 0.000 2.141 517 L HA -0.167 4.179 4.340 0.009 0.000 0.209 517 L C 2.494 179.616 176.870 0.420 0.000 1.094 517 L CA 0.906 55.844 54.840 0.164 0.000 0.763 517 L CB -0.416 41.445 42.059 -0.330 0.000 0.908 517 L HN 0.099 nan 8.230 nan 0.000 0.437 518 V N -0.313 119.784 119.914 0.305 0.000 2.239 518 V HA -0.259 3.867 4.120 0.009 0.000 0.242 518 V C 2.575 178.821 176.094 0.253 0.000 1.038 518 V CA 1.809 64.300 62.300 0.318 0.000 1.002 518 V CB -0.638 31.265 31.823 0.133 0.000 0.641 518 V HN 0.433 nan 8.190 nan 0.000 0.449 519 R N -0.132 120.471 120.500 0.172 0.000 2.133 519 R HA -0.236 4.110 4.340 0.009 0.000 0.245 519 R C 1.448 177.669 176.300 -0.133 0.000 1.137 519 R CA 2.410 58.481 56.100 -0.048 0.000 0.947 519 R CB -0.345 29.850 30.300 -0.175 0.000 0.865 519 R HN 0.608 nan 8.270 nan 0.000 0.437 520 Y N -0.454 120.031 120.300 0.310 0.000 2.811 520 Y HA 0.382 4.937 4.550 0.009 0.000 0.330 520 Y C 1.316 177.514 175.900 0.497 0.000 1.081 520 Y CA -0.086 58.229 58.100 0.358 0.000 1.408 520 Y CB 0.448 39.062 38.460 0.257 0.000 1.235 520 Y HN 0.206 nan 8.280 nan 0.000 0.529 521 A N 0.036 123.207 122.820 0.585 0.000 2.019 521 A HA -0.202 4.123 4.320 0.009 0.000 0.219 521 A C 2.327 180.201 177.584 0.483 0.000 1.164 521 A CA 1.866 54.297 52.037 0.656 0.000 0.644 521 A CB -0.680 18.501 19.000 0.303 0.000 0.805 521 A HN 0.513 nan 8.150 nan 0.000 0.449 522 S N -0.942 114.956 115.700 0.330 0.000 2.442 522 S HA -0.175 4.300 4.470 0.009 0.000 0.236 522 S C 1.647 176.273 174.600 0.042 0.000 1.007 522 S CA 1.212 59.532 58.200 0.201 0.000 0.965 522 S CB -0.704 62.678 63.200 0.302 0.000 0.773 522 S HN 0.570 nan 8.310 nan 0.000 0.504 523 F N 2.691 122.490 119.950 -0.252 0.000 2.134 523 F HA 0.066 4.599 4.527 0.010 0.000 0.299 523 F C 1.353 176.886 175.800 -0.445 0.000 1.097 523 F CA 0.528 58.001 58.000 -0.879 0.000 1.264 523 F CB -0.728 37.778 39.000 -0.823 0.000 1.001 523 F HN 0.187 nan 8.300 nan 0.000 0.479 524 F N 0.560 120.445 119.950 -0.109 0.000 2.771 524 F HA -0.046 4.487 4.527 0.009 0.000 0.299 524 F C 1.897 177.562 175.800 -0.225 0.000 1.177 524 F CA 0.451 58.335 58.000 -0.192 0.000 1.450 524 F CB -0.903 38.091 39.000 -0.009 0.000 1.114 524 F HN -0.038 nan 8.300 nan 0.000 0.587 525 D N -0.541 119.751 120.400 -0.180 0.000 2.218 525 D HA -0.175 4.470 4.640 0.009 0.000 0.204 525 D C 1.841 177.836 176.300 -0.508 0.000 0.976 525 D CA 1.474 55.251 54.000 -0.371 0.000 0.853 525 D CB -0.221 40.257 40.800 -0.538 0.000 0.939 525 D HN 0.326 nan 8.370 nan 0.000 0.481 526 Y N 0.670 120.859 120.300 -0.185 0.000 2.177 526 Y HA 0.057 4.613 4.550 0.009 0.000 0.291 526 Y C 1.499 177.306 175.900 -0.155 0.000 1.117 526 Y CA 0.329 58.320 58.100 -0.181 0.000 1.114 526 Y CB -0.122 38.217 38.460 -0.201 0.000 1.017 526 Y HN -0.163 nan 8.280 nan 0.000 0.505 527 E N 1.615 121.783 120.200 -0.054 0.000 1.972 527 E HA 0.048 4.403 4.350 0.009 0.000 0.292 527 E C 0.426 177.037 176.600 0.019 0.000 1.193 527 E CA 0.050 56.427 56.400 -0.038 0.000 1.228 527 E CB -0.006 29.631 29.700 -0.105 0.000 1.167 527 E HN 0.406 nan 8.360 nan 0.000 0.479 528 S N 1.426 117.125 115.700 -0.002 0.000 2.447 528 S HA -0.143 4.333 4.470 0.009 0.000 0.233 528 S C 1.878 176.493 174.600 0.024 0.000 1.006 528 S CA 0.638 58.839 58.200 0.002 0.000 0.957 528 S CB 0.125 63.306 63.200 -0.032 0.000 0.773 528 S HN 0.472 nan 8.310 nan 0.000 0.507 529 A N 1.082 123.921 122.820 0.031 0.000 2.168 529 A HA 0.531 4.856 4.320 0.009 0.000 0.215 529 A C 2.085 179.706 177.584 0.062 0.000 1.152 529 A CA 0.917 52.977 52.037 0.038 0.000 0.716 529 A CB -0.643 18.376 19.000 0.032 0.000 0.794 529 A HN 0.630 nan 8.150 nan 0.000 0.465 530 A N -0.674 122.200 122.820 0.091 0.000 2.275 530 A HA 0.341 4.666 4.320 0.009 0.000 0.212 530 A C 1.706 179.358 177.584 0.112 0.000 1.201 530 A CA 0.128 52.242 52.037 0.127 0.000 0.843 530 A CB -0.402 18.721 19.000 0.205 0.000 0.873 530 A HN 0.442 nan 8.150 nan 0.000 0.492 531 I N 1.023 121.640 120.570 0.077 0.000 2.286 531 I HA -0.134 4.041 4.170 0.009 0.000 0.248 531 I C -0.280 175.902 176.117 0.107 0.000 1.115 531 I CA 1.161 62.491 61.300 0.050 0.000 1.392 531 I CB -0.895 37.104 38.000 -0.002 0.000 1.065 531 I HN 0.243 nan 8.210 nan 0.000 0.418 532 P HA -0.250 nan 4.420 nan 0.000 0.217 532 P C 1.331 178.718 177.300 0.144 0.000 1.151 532 P CA 2.262 65.430 63.100 0.114 0.000 0.849 532 P CB 0.004 31.753 31.700 0.082 0.000 0.787 533 A N -0.016 122.885 122.820 0.135 0.000 1.968 533 A HA 0.076 4.402 4.320 0.009 0.000 0.217 533 A C 2.828 180.534 177.584 0.204 0.000 1.169 533 A CA 1.931 54.056 52.037 0.147 0.000 0.638 533 A CB -1.684 17.383 19.000 0.111 0.000 0.812 533 A HN 0.189 nan 8.150 nan 0.000 0.446 534 L N -0.442 120.905 121.223 0.207 0.000 2.046 534 L HA 0.012 4.358 4.340 0.009 0.000 0.208 534 L C 2.523 179.697 176.870 0.507 0.000 1.077 534 L CA 2.319 57.311 54.840 0.254 0.000 0.747 534 L CB -1.473 40.761 42.059 0.291 0.000 0.896 534 L HN 0.523 nan 8.230 nan 0.000 0.432 535 I N 0.053 120.934 120.570 0.519 0.000 2.286 535 I HA -0.171 4.005 4.170 0.009 0.000 0.245 535 I C 3.118 179.449 176.117 0.356 0.000 1.104 535 I CA 1.484 63.118 61.300 0.557 0.000 1.397 535 I CB -0.792 37.443 38.000 0.392 0.000 1.072 535 I HN 0.611 nan 8.210 nan 0.000 0.417 536 E N 0.378 120.725 120.200 0.246 0.000 2.274 536 E HA -0.272 4.083 4.350 0.009 0.000 0.194 536 E C 1.871 178.555 176.600 0.139 0.000 0.996 536 E CA 0.788 57.281 56.400 0.155 0.000 0.840 536 E CB -0.966 28.810 29.700 0.127 0.000 0.772 536 E HN 0.591 nan 8.360 nan 0.000 0.491 537 Y N -0.109 120.224 120.300 0.054 0.000 2.109 537 Y HA -0.026 4.529 4.550 0.009 0.000 0.285 537 Y C 2.088 177.945 175.900 -0.072 0.000 1.131 537 Y CA 1.803 59.873 58.100 -0.050 0.000 1.121 537 Y CB -0.662 37.715 38.460 -0.138 0.000 0.987 537 Y HN 0.222 nan 8.280 nan 0.000 0.495 538 F N -0.656 119.215 119.950 -0.131 0.000 2.091 538 F HA -0.323 4.210 4.527 0.010 0.000 0.299 538 F C 2.521 178.109 175.800 -0.353 0.000 1.103 538 F CA 1.928 59.766 58.000 -0.269 0.000 1.228 538 F CB -0.972 38.000 39.000 -0.046 0.000 0.984 538 F HN -0.077 nan 8.300 nan 0.000 0.477 539 V N -0.100 119.749 119.914 -0.109 0.000 2.255 539 V HA -0.210 3.916 4.120 0.009 0.000 0.247 539 V C 1.945 178.054 176.094 0.025 0.000 1.051 539 V CA 1.486 63.716 62.300 -0.117 0.000 1.018 539 V CB -1.458 30.338 31.823 -0.045 0.000 0.641 539 V HN 0.399 nan 8.190 nan 0.000 0.445 540 G N 0.758 109.547 108.800 -0.019 0.000 2.846 540 G HA2 -0.038 3.928 3.960 0.009 0.000 0.257 540 G HA3 -0.038 3.928 3.960 0.009 0.000 0.257 540 G C -1.238 173.661 174.900 -0.001 0.000 1.253 540 G CA 0.211 45.302 45.100 -0.015 0.000 0.918 540 G HN 0.414 nan 8.290 nan 0.000 0.597 541 P HA 0.026 nan 4.420 nan 0.000 0.251 541 P C 0.805 178.089 177.300 -0.025 0.000 1.251 541 P CA 0.683 63.787 63.100 0.007 0.000 0.763 541 P CB 0.207 31.892 31.700 -0.024 0.000 1.067 542 R N -1.345 119.085 120.500 -0.118 0.000 2.276 542 R HA 0.209 4.554 4.340 0.009 0.000 0.195 542 R C 2.392 178.517 176.300 -0.292 0.000 0.908 542 R CA 0.782 56.786 56.100 -0.160 0.000 1.083 542 R CB -0.431 29.802 30.300 -0.112 0.000 1.182 542 R HN 0.150 nan 8.270 nan 0.000 0.608 543 G N 0.740 109.233 108.800 -0.511 0.000 2.447 543 G HA2 -0.032 3.934 3.960 0.009 0.000 0.211 543 G HA3 -0.032 3.934 3.960 0.009 0.000 0.211 543 G C 1.189 176.017 174.900 -0.120 0.000 1.184 543 G CA 0.249 45.046 45.100 -0.506 0.000 0.813 543 G HN -0.028 nan 8.290 nan 0.000 0.540 544 I N -0.297 120.238 120.570 -0.057 0.000 3.883 544 I HA 0.178 4.354 4.170 0.009 0.000 0.305 544 I C 1.126 177.274 176.117 0.051 0.000 1.247 544 I CA 0.493 61.830 61.300 0.060 0.000 1.350 544 I CB -0.427 37.502 38.000 -0.119 0.000 1.194 544 I HN 0.196 nan 8.210 nan 0.000 0.441 545 H N 0.895 120.008 119.070 0.073 0.000 2.519 545 H HA 0.174 4.736 4.556 0.009 0.000 0.289 545 H C 0.420 175.772 175.328 0.041 0.000 1.040 545 H CA -0.324 55.774 56.048 0.083 0.000 1.165 545 H CB 0.045 29.819 29.762 0.020 0.000 1.462 545 H HN 0.199 nan 8.280 nan 0.000 0.555 546 N N 1.192 119.940 118.700 0.080 0.000 2.292 546 N HA -0.104 4.641 4.740 0.009 0.000 0.242 546 N C 0.722 176.253 175.510 0.036 0.000 1.243 546 N CA 0.663 53.727 53.050 0.024 0.000 0.851 546 N CB 0.839 39.310 38.487 -0.027 0.000 1.093 546 N HN 0.015 nan 8.380 nan 0.000 0.450 547 T N 1.152 115.717 114.554 0.019 0.000 3.144 547 T HA 0.062 4.418 4.350 0.009 0.000 0.249 547 T C 0.377 175.075 174.700 -0.004 0.000 1.089 547 T CA -0.256 61.854 62.100 0.017 0.000 0.989 547 T CB -0.402 68.473 68.868 0.012 0.000 0.992 547 T HN 0.424 nan 8.240 nan 0.000 0.540 548 N N 1.342 120.031 118.700 -0.019 0.000 2.487 548 N HA 0.341 5.086 4.740 0.009 0.000 0.292 548 N C 1.192 176.679 175.510 -0.040 0.000 1.108 548 N CA 0.336 53.368 53.050 -0.029 0.000 0.956 548 N CB 1.366 39.833 38.487 -0.032 0.000 1.176 548 N HN 0.238 nan 8.380 nan 0.000 0.484 549 E N 2.684 122.864 120.200 -0.034 0.000 2.028 549 E HA -0.175 4.181 4.350 0.009 0.000 0.191 549 E C 2.095 178.653 176.600 -0.070 0.000 0.988 549 E CA 2.218 58.590 56.400 -0.047 0.000 0.799 549 E CB -1.099 28.584 29.700 -0.029 0.000 0.755 549 E HN 0.772 nan 8.360 nan 0.000 0.447 550 R N 0.357 120.837 120.500 -0.034 0.000 2.075 550 R HA 0.090 4.435 4.340 0.009 0.000 0.232 550 R C 2.802 179.066 176.300 -0.060 0.000 1.126 550 R CA 1.551 57.636 56.100 -0.025 0.000 0.963 550 R CB -1.445 28.883 30.300 0.046 0.000 0.858 550 R HN 0.415 nan 8.270 nan 0.000 0.435 551 V N 0.721 120.602 119.914 -0.055 0.000 2.307 551 V HA -0.243 3.882 4.120 0.009 0.000 0.245 551 V C 2.641 178.633 176.094 -0.171 0.000 1.045 551 V CA 2.134 64.391 62.300 -0.071 0.000 1.024 551 V CB -0.650 31.148 31.823 -0.042 0.000 0.651 551 V HN 0.635 nan 8.190 nan 0.000 0.449 552 R N 0.330 120.695 120.500 -0.225 0.000 2.115 552 R HA -0.213 4.132 4.340 0.009 0.000 0.239 552 R C -0.001 175.693 176.300 -1.011 0.000 1.133 552 R CA 2.615 58.461 56.100 -0.423 0.000 0.935 552 R CB -1.435 28.698 30.300 -0.279 0.000 0.853 552 R HN 0.416 nan 8.270 nan 0.000 0.433 553 P HA -0.163 nan 4.420 nan 0.000 0.211 553 P C 0.693 177.717 177.300 -0.461 0.000 1.179 553 P CA 1.377 63.920 63.100 -0.928 0.000 0.910 553 P CB -0.135 31.320 31.700 -0.409 0.000 0.785 554 R N 0.318 120.697 120.500 -0.202 0.000 2.185 554 R HA -0.150 4.196 4.340 0.009 0.000 0.247 554 R C 1.941 178.281 176.300 0.067 0.000 1.159 554 R CA 1.981 58.081 56.100 -0.001 0.000 0.988 554 R CB -1.538 28.774 30.300 0.020 0.000 0.871 554 R HN 0.086 nan 8.270 nan 0.000 0.458 555 A N -0.421 122.372 122.820 -0.044 0.000 1.877 555 A HA -0.131 4.194 4.320 0.009 0.000 0.216 555 A C 1.734 179.502 177.584 0.306 0.000 1.186 555 A CA 1.378 53.484 52.037 0.114 0.000 0.620 555 A CB -0.964 18.054 19.000 0.031 0.000 0.822 555 A HN 0.521 nan 8.150 nan 0.000 0.443 556 W N -1.281 120.128 121.300 0.181 0.000 2.350 556 W HA -0.148 4.518 4.660 0.010 0.000 0.289 556 W C 2.101 178.771 176.519 0.251 0.000 1.215 556 W CA 0.761 58.239 57.345 0.222 0.000 1.236 556 W CB -1.533 28.049 29.460 0.204 0.000 1.130 556 W HN 0.619 nan 8.180 nan 0.000 0.541 557 Y N 0.823 121.262 120.300 0.232 0.000 2.184 557 Y HA -0.124 4.432 4.550 0.009 0.000 0.290 557 Y C 2.339 178.232 175.900 -0.011 0.000 1.129 557 Y CA 1.580 59.610 58.100 -0.118 0.000 1.144 557 Y CB -0.854 37.441 38.460 -0.274 0.000 0.995 557 Y HN -0.186 nan 8.280 nan 0.000 0.513 558 L N -1.131 119.994 121.223 -0.162 0.000 2.046 558 L HA -0.204 4.142 4.340 0.009 0.000 0.208 558 L C 2.388 179.033 176.870 -0.375 0.000 1.077 558 L CA 1.631 56.315 54.840 -0.261 0.000 0.747 558 L CB -0.971 41.143 42.059 0.092 0.000 0.896 558 L HN 0.257 nan 8.230 nan 0.000 0.432 559 F N 0.381 120.054 119.950 -0.461 0.000 2.161 559 F HA -0.309 4.224 4.527 0.009 0.000 0.300 559 F C 2.579 178.202 175.800 -0.295 0.000 1.089 559 F CA 1.489 59.077 58.000 -0.687 0.000 1.282 559 F CB -0.579 38.267 39.000 -0.257 0.000 1.010 559 F HN 0.099 nan 8.300 nan 0.000 0.485 560 Y N 1.062 121.126 120.300 -0.394 0.000 2.200 560 Y HA -0.094 4.461 4.550 0.009 0.000 0.290 560 Y C 2.434 178.095 175.900 -0.399 0.000 1.137 560 Y CA 1.678 59.548 58.100 -0.384 0.000 1.163 560 Y CB -0.568 37.827 38.460 -0.108 0.000 0.988 560 Y HN -0.143 nan 8.280 nan 0.000 0.518 561 R N -0.343 119.691 120.500 -0.778 0.000 2.075 561 R HA -0.156 4.189 4.340 0.009 0.000 0.232 561 R C 2.217 178.242 176.300 -0.459 0.000 1.126 561 R CA 1.453 57.098 56.100 -0.758 0.000 0.963 561 R CB -1.465 28.439 30.300 -0.660 0.000 0.858 561 R HN 0.445 nan 8.270 nan 0.000 0.435 562 F N 1.389 120.996 119.950 -0.572 0.000 2.046 562 F HA -0.224 4.309 4.527 0.010 0.000 0.297 562 F C 2.346 177.881 175.800 -0.441 0.000 1.123 562 F CA 1.358 59.090 58.000 -0.446 0.000 1.199 562 F CB -0.679 37.954 39.000 -0.611 0.000 0.972 562 F HN -0.284 nan 8.300 nan 0.000 0.474 563 V N 0.421 120.011 119.914 -0.540 0.000 2.392 563 V HA -0.346 3.780 4.120 0.009 0.000 0.249 563 V C 2.425 178.248 176.094 -0.452 0.000 1.059 563 V CA 2.327 64.286 62.300 -0.568 0.000 1.051 563 V CB -0.810 30.581 31.823 -0.720 0.000 0.658 563 V HN 0.315 nan 8.190 nan 0.000 0.455 564 K N 0.846 120.956 120.400 -0.484 0.000 2.097 564 K HA -0.173 4.153 4.320 0.009 0.000 0.206 564 K C 2.238 178.652 176.600 -0.310 0.000 1.049 564 K CA 1.802 57.846 56.287 -0.404 0.000 0.933 564 K CB -0.214 31.942 32.500 -0.575 0.000 0.717 564 K HN 0.643 nan 8.250 nan 0.000 0.442 565 S N -0.383 115.126 115.700 -0.318 0.000 2.478 565 S HA 0.067 4.543 4.470 0.009 0.000 0.222 565 S C 1.475 175.925 174.600 -0.249 0.000 1.008 565 S CA 0.230 58.292 58.200 -0.230 0.000 0.928 565 S CB -0.063 63.036 63.200 -0.169 0.000 0.781 565 S HN 0.281 nan 8.310 nan 0.000 0.518 566 I N 1.786 122.131 120.570 -0.373 0.000 3.858 566 I HA 0.227 4.402 4.170 0.009 0.000 0.325 566 I C 1.095 177.038 176.117 -0.289 0.000 1.403 566 I CA -0.311 60.751 61.300 -0.397 0.000 1.169 566 I CB -0.714 36.863 38.000 -0.705 0.000 1.077 566 I HN 0.267 nan 8.210 nan 0.000 0.403 567 K N 1.970 122.231 120.400 -0.231 0.000 2.295 567 K HA 0.557 4.883 4.320 0.009 0.000 0.270 567 K C 0.602 177.119 176.600 -0.138 0.000 1.011 567 K CA 0.171 56.354 56.287 -0.174 0.000 0.953 567 K CB -0.099 32.310 32.500 -0.152 0.000 0.956 567 K HN 0.310 nan 8.250 nan 0.000 0.477 572 N N -0.662 118.040 118.700 0.004 0.000 2.383 572 N HA 0.375 5.120 4.740 0.009 0.000 0.192 572 N C 1.239 176.768 175.510 0.032 0.000 1.141 572 N CA 1.619 54.680 53.050 0.017 0.000 0.851 572 N CB -0.454 38.044 38.487 0.017 0.000 0.976 572 N HN 2.032 nan 8.380 nan 0.000 0.465 573 Y N -1.639 118.684 120.300 0.038 0.000 2.531 573 Y HA 0.350 4.905 4.550 0.009 0.000 0.249 573 Y C 2.567 178.510 175.900 0.072 0.000 1.168 573 Y CA 0.748 58.888 58.100 0.066 0.000 1.226 573 Y CB -0.920 37.596 38.460 0.094 0.000 1.177 573 Y HN 0.395 nan 8.280 nan 0.000 0.527 574 T N 0.157 114.740 114.554 0.048 0.000 2.580 574 T HA -0.234 4.122 4.350 0.009 0.000 0.265 574 T C 1.626 176.361 174.700 0.058 0.000 1.063 574 T CA 2.315 64.444 62.100 0.047 0.000 1.170 574 T CB -0.253 68.633 68.868 0.029 0.000 0.863 574 T HN 0.762 nan 8.240 nan 0.000 0.418 575 E N 0.847 121.076 120.200 0.049 0.000 2.058 575 E HA -0.108 4.247 4.350 0.009 0.000 0.194 575 E C 2.819 179.448 176.600 0.049 0.000 0.997 575 E CA 1.337 57.765 56.400 0.046 0.000 0.801 575 E CB -0.338 29.385 29.700 0.037 0.000 0.746 575 E HN 0.585 nan 8.360 nan 0.000 0.450 576 S N 0.989 116.720 115.700 0.052 0.000 2.383 576 S HA -0.175 4.300 4.470 0.009 0.000 0.227 576 S C 2.084 176.721 174.600 0.061 0.000 1.026 576 S CA 1.665 59.895 58.200 0.050 0.000 0.981 576 S CB -0.540 62.691 63.200 0.052 0.000 0.818 576 S HN 0.245 nan 8.310 nan 0.000 0.472 577 S N 1.217 116.971 115.700 0.090 0.000 2.368 577 S HA -0.020 4.456 4.470 0.009 0.000 0.225 577 S C 1.940 176.596 174.600 0.094 0.000 1.030 577 S CA 1.273 59.547 58.200 0.123 0.000 0.999 577 S CB -0.715 62.623 63.200 0.231 0.000 0.844 577 S HN 0.541 nan 8.310 nan 0.000 0.459 578 L N 1.505 122.778 121.223 0.082 0.000 2.046 578 L HA -0.033 4.313 4.340 0.009 0.000 0.208 578 L C 3.261 180.149 176.870 0.030 0.000 1.077 578 L CA 1.206 56.081 54.840 0.059 0.000 0.747 578 L CB -0.950 41.145 42.059 0.061 0.000 0.896 578 L HN 0.488 nan 8.230 nan 0.000 0.432 579 A N -0.181 122.658 122.820 0.032 0.000 1.902 579 A HA -0.207 4.119 4.320 0.009 0.000 0.217 579 A C 2.324 179.918 177.584 0.018 0.000 1.181 579 A CA 1.596 53.645 52.037 0.019 0.000 0.623 579 A CB -0.392 18.619 19.000 0.020 0.000 0.818 579 A HN 0.298 nan 8.150 nan 0.000 0.443 580 M N -0.675 118.942 119.600 0.029 0.000 2.296 580 M HA -0.017 4.468 4.480 0.009 0.000 0.265 580 M C 2.038 178.386 176.300 0.080 0.000 1.064 580 M CA 1.047 56.385 55.300 0.063 0.000 1.109 580 M CB -0.911 31.726 32.600 0.061 0.000 1.396 580 M HN 0.388 nan 8.290 nan 0.000 0.430 581 L N -0.525 120.690 121.223 -0.014 0.000 2.141 581 L HA -0.076 4.270 4.340 0.009 0.000 0.209 581 L C 2.652 179.451 176.870 -0.118 0.000 1.094 581 L CA 0.874 55.648 54.840 -0.110 0.000 0.763 581 L CB -1.247 40.748 42.059 -0.107 0.000 0.908 581 L HN 0.350 nan 8.230 nan 0.000 0.437 582 G N 0.549 109.313 108.800 -0.059 0.000 2.681 582 G HA2 -0.366 3.600 3.960 0.009 0.000 0.220 582 G HA3 -0.366 3.600 3.960 0.009 0.000 0.220 582 G C 1.070 175.944 174.900 -0.042 0.000 1.210 582 G CA 1.374 46.441 45.100 -0.054 0.000 0.783 582 G HN 0.359 nan 8.290 nan 0.000 0.609 583 D N 0.289 120.698 120.400 0.014 0.000 2.315 583 D HA -0.071 4.575 4.640 0.009 0.000 0.211 583 D C 2.213 178.521 176.300 0.014 0.000 0.977 583 D CA 0.675 54.702 54.000 0.045 0.000 0.894 583 D CB -0.082 40.791 40.800 0.121 0.000 0.910 583 D HN 0.394 nan 8.370 nan 0.000 0.490 584 L N -0.472 120.700 121.223 -0.085 0.000 2.664 584 L HA 0.171 4.517 4.340 0.009 0.000 0.233 584 L C 2.002 178.714 176.870 -0.264 0.000 1.113 584 L CA -0.026 54.685 54.840 -0.215 0.000 0.896 584 L CB 0.335 42.125 42.059 -0.448 0.000 1.163 584 L HN -0.077 nan 8.230 nan 0.000 0.497 585 L N 0.323 121.413 121.223 -0.222 0.000 2.446 585 L HA 0.021 4.367 4.340 0.009 0.000 0.219 585 L C 0.490 177.412 176.870 0.087 0.000 1.116 585 L CA -0.111 54.591 54.840 -0.230 0.000 0.844 585 L CB -0.463 41.374 42.059 -0.370 0.000 0.970 585 L HN 0.461 nan 8.230 nan 0.000 0.457 586 N N 1.432 120.172 118.700 0.067 0.000 2.497 586 N HA 0.150 4.895 4.740 0.009 0.000 0.268 586 N C -0.541 175.057 175.510 0.146 0.000 1.171 586 N CA 0.109 53.227 53.050 0.113 0.000 0.948 586 N CB 0.432 38.958 38.487 0.065 0.000 1.069 586 N HN 0.063 nan 8.380 nan 0.000 0.460 587 I N 0.901 121.570 120.570 0.164 0.000 2.395 587 I HA 0.160 4.336 4.170 0.009 0.000 0.289 587 I C 0.170 176.331 176.117 0.073 0.000 1.023 587 I CA -0.518 60.873 61.300 0.152 0.000 1.350 587 I CB 0.984 39.047 38.000 0.104 0.000 1.409 587 I HN 0.752 nan 8.210 nan 0.000 0.507 588 S N 5.413 121.162 115.700 0.081 0.000 2.312 588 S HA 0.442 4.917 4.470 0.009 0.000 0.173 588 S C -0.802 173.821 174.600 0.039 0.000 1.488 588 S CA -0.726 57.502 58.200 0.047 0.000 1.239 588 S CB 0.432 63.668 63.200 0.060 0.000 1.215 588 S HN 0.254 nan 8.310 nan 0.000 0.438 589 V N 2.790 122.695 119.914 -0.015 0.000 2.439 589 V HA 0.582 4.708 4.120 0.009 0.000 0.282 589 V C 0.275 176.359 176.094 -0.018 0.000 1.039 589 V CA -0.294 61.993 62.300 -0.020 0.000 0.913 589 V CB 1.458 33.218 31.823 -0.105 0.000 0.983 589 V HN 0.856 nan 8.190 nan 0.000 0.460 590 S N 6.397 122.097 115.700 0.001 0.000 2.537 590 S HA 0.567 5.042 4.470 0.009 0.000 0.301 590 S C -2.616 171.980 174.600 -0.008 0.000 1.092 590 S CA -1.142 57.057 58.200 -0.002 0.000 1.048 590 S CB 1.907 65.112 63.200 0.009 0.000 1.053 590 S HN 0.667 nan 8.310 nan 0.000 0.501 591 P HA 0.314 nan 4.420 nan 0.000 0.276 591 P C -1.049 176.245 177.300 -0.011 0.000 1.230 591 P CA -0.179 62.910 63.100 -0.018 0.000 0.776 591 P CB 0.661 32.349 31.700 -0.021 0.000 0.888 592 V N 2.857 122.765 119.914 -0.011 0.000 3.040 592 V HA 0.367 4.493 4.120 0.009 0.000 0.312 592 V C 0.361 176.450 176.094 -0.010 0.000 1.115 592 V CA -0.562 61.734 62.300 -0.006 0.000 0.998 592 V CB 2.387 34.210 31.823 0.000 0.000 1.042 592 V HN 0.502 nan 8.190 nan 0.000 0.433 593 T N 2.052 116.602 114.554 -0.008 0.000 2.913 593 T HA 0.564 4.919 4.350 0.009 0.000 0.287 593 T C -0.816 173.879 174.700 -0.008 0.000 1.008 593 T CA -0.216 61.879 62.100 -0.009 0.000 1.067 593 T CB 1.174 70.037 68.868 -0.007 0.000 0.996 593 T HN 0.756 nan 8.240 nan 0.000 0.513 594 D N -0.259 120.135 120.400 -0.010 0.000 2.732 594 D HA 0.323 4.968 4.640 0.009 0.000 0.292 594 D C 1.384 177.679 176.300 -0.009 0.000 1.135 594 D CA -0.767 53.227 54.000 -0.009 0.000 1.071 594 D CB 1.050 41.844 40.800 -0.011 0.000 1.457 594 D HN 0.551 nan 8.370 nan 0.000 0.547 595 M N -0.882 118.713 119.600 -0.008 0.000 2.117 595 M HA 0.021 4.506 4.480 0.009 0.000 0.262 595 M C -0.092 176.203 176.300 -0.009 0.000 1.065 595 M CA 1.665 56.961 55.300 -0.007 0.000 1.114 595 M CB -0.035 32.562 32.600 -0.006 0.000 1.361 595 M HN 0.105 nan 8.290 nan 0.000 0.408 596 D N 0.836 121.230 120.400 -0.010 0.000 2.395 596 D HA 0.355 5.000 4.640 0.009 0.000 0.213 596 D C -0.100 176.190 176.300 -0.015 0.000 1.110 596 D CA 0.228 54.221 54.000 -0.012 0.000 0.835 596 D CB 0.829 41.621 40.800 -0.014 0.000 0.965 596 D HN 0.429 nan 8.370 nan 0.000 0.505 597 A N 2.213 125.024 122.820 -0.015 0.000 2.702 597 A HA 0.373 4.699 4.320 0.009 0.000 0.305 597 A C -1.853 175.722 177.584 -0.015 0.000 1.213 597 A CA -1.031 50.995 52.037 -0.017 0.000 0.745 597 A CB 1.510 20.497 19.000 -0.022 0.000 1.161 597 A HN -0.203 nan 8.150 nan 0.000 0.445 598 P HA -0.048 nan 4.420 nan 0.000 0.219 598 P C 0.388 177.681 177.300 -0.013 0.000 1.150 598 P CA 1.072 64.165 63.100 -0.011 0.000 0.814 598 P CB 0.135 31.829 31.700 -0.010 0.000 0.787 599 V N 3.383 123.288 119.914 -0.015 0.000 2.370 599 V HA 0.258 4.384 4.120 0.009 0.000 0.279 599 V C -2.129 173.952 176.094 -0.021 0.000 1.029 599 V CA -2.333 59.957 62.300 -0.017 0.000 0.870 599 V CB 0.948 32.760 31.823 -0.019 0.000 0.984 599 V HN 0.021 nan 8.190 nan 0.000 0.451 600 P HA 0.103 nan 4.420 nan 0.000 0.264 600 P C -0.218 177.061 177.300 -0.035 0.000 1.193 600 P CA 0.318 63.402 63.100 -0.026 0.000 0.763 600 P CB 0.436 32.123 31.700 -0.022 0.000 0.810 601 T N 3.418 117.946 114.554 -0.042 0.000 2.888 601 T HA 0.153 4.509 4.350 0.009 0.000 0.284 601 T C 1.371 176.025 174.700 -0.077 0.000 1.017 601 T CA -0.499 61.566 62.100 -0.058 0.000 1.022 601 T CB 1.419 70.252 68.868 -0.059 0.000 1.013 601 T HN 0.233 nan 8.240 nan 0.000 0.465 602 L N 2.603 123.762 121.223 -0.107 0.000 2.089 602 L HA -0.169 4.177 4.340 0.009 0.000 0.213 602 L C 2.175 178.952 176.870 -0.155 0.000 1.079 602 L CA 1.941 56.689 54.840 -0.153 0.000 0.758 602 L CB -0.577 41.337 42.059 -0.241 0.000 0.891 602 L HN 0.663 nan 8.230 nan 0.000 0.433 603 N N -0.580 118.037 118.700 -0.139 0.000 2.058 603 N HA -0.194 4.552 4.740 0.009 0.000 0.191 603 N C 1.977 177.451 175.510 -0.060 0.000 1.037 603 N CA 1.828 54.813 53.050 -0.108 0.000 0.848 603 N CB -0.205 38.228 38.487 -0.091 0.000 1.021 603 N HN 0.691 nan 8.380 nan 0.000 0.422 604 S N -0.136 115.535 115.700 -0.049 0.000 2.356 604 S HA -0.064 4.411 4.470 0.009 0.000 0.223 604 S C 2.242 176.831 174.600 -0.018 0.000 1.032 604 S CA 1.519 59.702 58.200 -0.028 0.000 1.005 604 S CB -0.688 62.496 63.200 -0.026 0.000 0.867 604 S HN 0.280 nan 8.310 nan 0.000 0.449 605 S N 2.270 117.952 115.700 -0.028 0.000 2.359 605 S HA 0.014 4.490 4.470 0.009 0.000 0.224 605 S C 1.862 176.463 174.600 0.002 0.000 1.035 605 S CA 1.588 59.778 58.200 -0.018 0.000 1.018 605 S CB -0.583 62.595 63.200 -0.037 0.000 0.876 605 S HN 0.488 nan 8.310 nan 0.000 0.448 606 I N 1.539 122.107 120.570 -0.003 0.000 2.353 606 I HA -0.148 4.027 4.170 0.009 0.000 0.248 606 I C 3.080 179.245 176.117 0.081 0.000 1.119 606 I CA 1.062 62.395 61.300 0.055 0.000 1.417 606 I CB -0.424 37.612 38.000 0.059 0.000 1.078 606 I HN 0.313 nan 8.210 nan 0.000 0.421 607 R N 0.708 121.231 120.500 0.039 0.000 2.241 607 R HA -0.099 4.246 4.340 0.009 0.000 0.224 607 R C 1.392 177.718 176.300 0.042 0.000 1.101 607 R CA 1.546 57.668 56.100 0.037 0.000 0.995 607 R CB -1.301 29.005 30.300 0.010 0.000 0.870 607 R HN 0.465 nan 8.270 nan 0.000 0.463 608 N N -0.377 118.349 118.700 0.043 0.000 2.205 608 N HA 0.098 4.843 4.740 0.009 0.000 0.201 608 N C -0.370 175.179 175.510 0.065 0.000 1.128 608 N CA 0.192 53.268 53.050 0.042 0.000 0.867 608 N CB 0.860 39.363 38.487 0.027 0.000 0.996 608 N HN 0.397 nan 8.380 nan 0.000 0.503 609 S N -0.024 115.735 115.700 0.099 0.000 2.719 609 S HA 0.300 4.776 4.470 0.009 0.000 0.285 609 S C 0.346 175.048 174.600 0.169 0.000 1.137 609 S CA -0.510 57.775 58.200 0.141 0.000 1.012 609 S CB 1.326 64.635 63.200 0.183 0.000 1.134 609 S HN 0.040 nan 8.310 nan 0.000 0.544 610 D N -0.047 120.491 120.400 0.231 0.000 2.462 610 D HA 0.212 4.857 4.640 0.009 0.000 0.221 610 D C 0.651 177.166 176.300 0.359 0.000 1.173 610 D CA -0.051 54.096 54.000 0.246 0.000 0.831 610 D CB 0.052 40.988 40.800 0.228 0.000 1.001 610 D HN 0.309 nan 8.370 nan 0.000 0.499 611 F N 2.439 122.502 119.950 0.187 0.000 2.095 611 F HA -0.196 4.337 4.527 0.009 0.000 0.298 611 F C 1.844 177.723 175.800 0.132 0.000 1.104 611 F CA 1.394 59.494 58.000 0.166 0.000 1.232 611 F CB -0.075 38.993 39.000 0.113 0.000 0.987 611 F HN -0.074 nan 8.300 nan 0.000 0.475 612 N N 0.070 118.758 118.700 -0.020 0.000 2.069 612 N HA -0.179 4.567 4.740 0.009 0.000 0.191 612 N C 2.068 177.468 175.510 -0.183 0.000 1.031 612 N CA 1.741 54.684 53.050 -0.179 0.000 0.852 612 N CB -0.747 37.717 38.487 -0.040 0.000 1.018 612 N HN 0.271 nan 8.380 nan 0.000 0.423 613 S N 1.144 116.892 115.700 0.080 0.000 2.356 613 S HA -0.175 4.301 4.470 0.009 0.000 0.223 613 S C 1.930 176.813 174.600 0.471 0.000 1.032 613 S CA 0.886 59.286 58.200 0.334 0.000 1.005 613 S CB -0.291 63.104 63.200 0.324 0.000 0.867 613 S HN 0.462 nan 8.310 nan 0.000 0.449 614 Q N 0.882 120.947 119.800 0.443 0.000 2.197 614 Q HA -0.104 4.242 4.340 0.009 0.000 0.207 614 Q C 1.837 177.861 176.000 0.040 0.000 0.984 614 Q CA 1.062 56.983 55.803 0.198 0.000 0.869 614 Q CB -0.351 28.467 28.738 0.133 0.000 0.906 614 Q HN 0.490 nan 8.270 nan 0.000 0.426 615 L N -0.064 121.030 121.223 -0.215 0.000 2.349 615 L HA -0.203 4.142 4.340 0.009 0.000 0.220 615 L C 1.589 178.346 176.870 -0.187 0.000 1.130 615 L CA 1.001 55.674 54.840 -0.279 0.000 0.791 615 L CB -0.366 41.346 42.059 -0.579 0.000 0.918 615 L HN 0.378 nan 8.230 nan 0.000 0.444 616 Y N -0.733 119.564 120.300 -0.005 0.000 2.337 616 Y HA -0.145 4.411 4.550 0.009 0.000 0.293 616 Y C 2.389 178.272 175.900 -0.028 0.000 1.123 616 Y CA 0.408 58.444 58.100 -0.106 0.000 1.201 616 Y CB 0.038 38.526 38.460 0.046 0.000 1.011 616 Y HN 0.059 nan 8.280 nan 0.000 0.545 617 L N -1.328 119.968 121.223 0.123 0.000 1.989 617 L HA -0.253 4.093 4.340 0.009 0.000 0.211 617 L C 2.101 178.934 176.870 -0.061 0.000 1.071 617 L CA 1.564 56.377 54.840 -0.045 0.000 0.749 617 L CB -0.895 40.935 42.059 -0.382 0.000 0.890 617 L HN 0.201 nan 8.230 nan 0.000 0.431 618 F N 0.409 120.374 119.950 0.025 0.000 2.120 618 F HA -0.278 4.255 4.527 0.009 0.000 0.300 618 F C 2.720 178.645 175.800 0.209 0.000 1.095 618 F CA 1.894 59.974 58.000 0.132 0.000 1.249 618 F CB -0.382 38.675 39.000 0.095 0.000 0.995 618 F HN 0.174 nan 8.300 nan 0.000 0.480 619 E N -0.285 120.062 120.200 0.244 0.000 2.072 619 E HA -0.171 4.184 4.350 0.009 0.000 0.191 619 E C 2.055 178.731 176.600 0.127 0.000 0.985 619 E CA 1.674 58.154 56.400 0.133 0.000 0.801 619 E CB -0.073 29.587 29.700 -0.067 0.000 0.750 619 E HN 0.305 nan 8.360 nan 0.000 0.452 620 T N 0.629 115.271 114.554 0.146 0.000 2.622 620 T HA -0.157 4.198 4.350 0.009 0.000 0.266 620 T C 1.925 176.661 174.700 0.059 0.000 1.047 620 T CA 1.642 63.816 62.100 0.122 0.000 1.159 620 T CB -0.357 68.587 68.868 0.126 0.000 0.863 620 T HN 0.049 nan 8.240 nan 0.000 0.422 621 V N 1.375 121.356 119.914 0.111 0.000 2.636 621 V HA -0.168 3.957 4.120 0.009 0.000 0.258 621 V C 2.648 178.820 176.094 0.130 0.000 1.092 621 V CA 1.905 64.289 62.300 0.141 0.000 1.110 621 V CB -1.245 30.681 31.823 0.172 0.000 0.685 621 V HN 0.646 nan 8.190 nan 0.000 0.481 622 G N -0.967 107.844 108.800 0.018 0.000 2.539 622 G HA2 -0.035 3.931 3.960 0.009 0.000 0.215 622 G HA3 -0.035 3.931 3.960 0.009 0.000 0.215 622 G C 1.464 175.959 174.900 -0.675 0.000 1.141 622 G CA 0.820 45.612 45.100 -0.513 0.000 0.806 622 G HN 0.418 nan 8.290 nan 0.000 0.533 623 V N 0.845 120.573 119.914 -0.311 0.000 2.649 623 V HA 0.046 4.171 4.120 0.009 0.000 0.248 623 V C 2.755 178.716 176.094 -0.222 0.000 1.054 623 V CA 0.767 62.906 62.300 -0.268 0.000 1.073 623 V CB -0.193 31.544 31.823 -0.143 0.000 0.699 623 V HN 0.296 nan 8.190 nan 0.000 0.463 624 L N -0.425 120.707 121.223 -0.152 0.000 2.083 624 L HA -0.120 4.225 4.340 0.009 0.000 0.209 624 L C 2.205 179.022 176.870 -0.087 0.000 1.083 624 L CA 1.653 56.442 54.840 -0.086 0.000 0.752 624 L CB -0.380 41.676 42.059 -0.004 0.000 0.899 624 L HN 0.256 nan 8.230 nan 0.000 0.433 625 I N -1.010 119.480 120.570 -0.134 0.000 3.291 625 I HA -0.126 4.050 4.170 0.009 0.000 0.279 625 I C 1.588 177.629 176.117 -0.128 0.000 1.294 625 I CA 0.581 61.824 61.300 -0.095 0.000 1.428 625 I CB -0.019 37.961 38.000 -0.033 0.000 1.070 625 I HN 0.199 nan 8.210 nan 0.000 0.478 626 S N -0.654 114.905 115.700 -0.236 0.000 2.520 626 S HA 0.201 4.676 4.470 0.009 0.000 0.219 626 S C 1.574 176.135 174.600 -0.066 0.000 1.028 626 S CA 0.455 58.569 58.200 -0.143 0.000 0.921 626 S CB 0.485 63.505 63.200 -0.299 0.000 0.844 626 S HN 0.471 nan 8.310 nan 0.000 0.495 627 S N 1.043 116.688 115.700 -0.092 0.000 2.664 627 S HA 0.646 5.122 4.470 0.009 0.000 0.245 627 S C 0.563 175.134 174.600 -0.048 0.000 1.019 627 S CA -0.250 57.909 58.200 -0.067 0.000 0.996 627 S CB 0.209 63.350 63.200 -0.098 0.000 0.878 627 S HN 0.415 nan 8.310 nan 0.000 0.493 628 G N -0.282 108.500 108.800 -0.029 0.000 2.432 628 G HA2 0.478 4.443 3.960 0.009 0.000 0.331 628 G HA3 0.478 4.443 3.960 0.009 0.000 0.331 628 G C -0.107 174.798 174.900 0.008 0.000 1.170 628 G CA -0.122 44.972 45.100 -0.010 0.000 0.943 628 G HN 0.519 nan 8.290 nan 0.000 0.483 629 N N 1.321 120.027 118.700 0.009 0.000 3.103 629 N HA 0.449 5.195 4.740 0.009 0.000 0.305 629 N C -0.180 175.343 175.510 0.023 0.000 1.232 629 N CA 0.076 53.135 53.050 0.014 0.000 1.190 629 N CB -0.355 38.139 38.487 0.010 0.000 1.461 629 N HN 0.424 nan 8.380 nan 0.000 0.538 630 L N 1.316 122.558 121.223 0.031 0.000 2.406 630 L HA 0.518 4.864 4.340 0.009 0.000 0.270 630 L C 1.156 178.052 176.870 0.043 0.000 0.982 630 L CA -0.856 54.007 54.840 0.039 0.000 0.843 630 L CB 1.275 43.364 42.059 0.049 0.000 1.225 630 L HN 0.550 nan 8.230 nan 0.000 0.412 631 T N 2.204 116.779 114.554 0.035 0.000 2.906 631 T HA 0.039 4.395 4.350 0.009 0.000 0.329 631 T C -1.436 173.288 174.700 0.040 0.000 1.091 631 T CA -0.508 61.610 62.100 0.031 0.000 1.127 631 T CB -0.114 68.768 68.868 0.023 0.000 1.035 631 T HN 0.356 nan 8.240 nan 0.000 0.547 632 P HA -0.071 nan 4.420 nan 0.000 0.217 632 P C 1.830 179.151 177.300 0.036 0.000 1.151 632 P CA 2.050 65.169 63.100 0.032 0.000 0.849 632 P CB 0.073 31.776 31.700 0.006 0.000 0.787 633 E N 0.755 120.972 120.200 0.027 0.000 2.031 633 E HA -0.263 4.093 4.350 0.009 0.000 0.193 633 E C 1.852 178.475 176.600 0.039 0.000 0.994 633 E CA 1.811 58.227 56.400 0.026 0.000 0.800 633 E CB -1.674 28.038 29.700 0.019 0.000 0.752 633 E HN 0.550 nan 8.360 nan 0.000 0.447 634 E N 0.888 121.113 120.200 0.042 0.000 2.077 634 E HA -0.301 4.055 4.350 0.009 0.000 0.193 634 E C 2.455 179.098 176.600 0.072 0.000 0.989 634 E CA 1.453 57.882 56.400 0.049 0.000 0.800 634 E CB -0.454 29.273 29.700 0.044 0.000 0.746 634 E HN 0.797 nan 8.360 nan 0.000 0.452 635 Q N 1.454 121.307 119.800 0.089 0.000 2.046 635 Q HA -0.055 4.291 4.340 0.009 0.000 0.200 635 Q C 2.379 178.475 176.000 0.160 0.000 0.975 635 Q CA 1.327 57.211 55.803 0.135 0.000 0.836 635 Q CB -0.414 28.420 28.738 0.159 0.000 0.896 635 Q HN 0.239 nan 8.270 nan 0.000 0.428 636 A N 1.436 124.331 122.820 0.125 0.000 2.024 636 A HA -0.057 4.268 4.320 0.009 0.000 0.220 636 A C 2.610 180.240 177.584 0.078 0.000 1.164 636 A CA 1.995 54.094 52.037 0.104 0.000 0.643 636 A CB -1.274 17.759 19.000 0.054 0.000 0.806 636 A HN 0.496 nan 8.150 nan 0.000 0.451 637 L N -1.852 119.412 121.223 0.068 0.000 1.994 637 L HA 0.022 4.368 4.340 0.009 0.000 0.208 637 L C 3.028 179.932 176.870 0.056 0.000 1.071 637 L CA 2.912 57.782 54.840 0.049 0.000 0.745 637 L CB -2.388 39.697 42.059 0.042 0.000 0.892 637 L HN 0.836 nan 8.230 nan 0.000 0.431 638 Y N -2.100 118.251 120.300 0.084 0.000 2.224 638 Y HA -0.214 4.342 4.550 0.009 0.000 0.289 638 Y C 2.943 178.908 175.900 0.108 0.000 1.146 638 Y CA 1.911 60.067 58.100 0.092 0.000 1.182 638 Y CB -1.324 37.212 38.460 0.126 0.000 0.983 638 Y HN 0.567 nan 8.280 nan 0.000 0.524 639 C N 0.321 119.728 119.300 0.178 0.000 2.418 639 C HA -0.131 4.335 4.460 0.009 0.000 0.280 639 C C 3.010 178.002 174.990 0.004 0.000 1.223 639 C CA 2.256 61.392 59.018 0.196 0.000 1.736 639 C CB -1.322 26.511 27.740 0.155 0.000 2.056 639 C HN 0.793 nan 8.230 nan 0.000 0.459 640 D N -1.107 119.292 120.400 -0.002 0.000 2.350 640 D HA -0.076 4.570 4.640 0.009 0.000 0.216 640 D C 1.994 178.278 176.300 -0.027 0.000 0.968 640 D CA 1.327 55.311 54.000 -0.026 0.000 0.894 640 D CB -0.424 40.371 40.800 -0.009 0.000 0.909 640 D HN 0.537 nan 8.370 nan 0.000 0.520 641 S N -0.874 114.814 115.700 -0.020 0.000 2.461 641 S HA 0.091 4.567 4.470 0.009 0.000 0.228 641 S C 1.731 176.302 174.600 -0.048 0.000 1.005 641 S CA 0.449 58.636 58.200 -0.021 0.000 0.942 641 S CB 0.117 63.315 63.200 -0.004 0.000 0.776 641 S HN 0.475 nan 8.310 nan 0.000 0.514 642 L N 1.083 122.244 121.223 -0.103 0.000 2.253 642 L HA 0.365 4.711 4.340 0.009 0.000 0.205 642 L C 1.629 178.405 176.870 -0.157 0.000 1.078 642 L CA 1.201 55.945 54.840 -0.160 0.000 0.805 642 L CB -0.267 41.586 42.059 -0.343 0.000 0.963 642 L HN 0.218 nan 8.230 nan 0.000 0.459 643 I N -0.068 120.404 120.570 -0.165 0.000 2.493 643 I HA -0.198 3.977 4.170 0.009 0.000 0.254 643 I C 1.625 177.722 176.117 -0.034 0.000 1.160 643 I CA 0.692 61.944 61.300 -0.081 0.000 1.445 643 I CB -0.432 37.547 38.000 -0.034 0.000 1.086 643 I HN 0.353 nan 8.210 nan 0.000 0.433 644 N N 0.997 119.677 118.700 -0.033 0.000 2.416 644 N HA 0.015 4.761 4.740 0.009 0.000 0.177 644 N C 1.841 177.344 175.510 -0.012 0.000 1.036 644 N CA 1.125 54.167 53.050 -0.013 0.000 0.901 644 N CB 0.185 38.666 38.487 -0.010 0.000 0.976 644 N HN 0.304 nan 8.380 nan 0.000 0.444 645 A N 0.639 123.448 122.820 -0.018 0.000 1.975 645 A HA 0.114 4.439 4.320 0.009 0.000 0.215 645 A C 2.277 179.858 177.584 -0.006 0.000 1.170 645 A CA 0.425 52.458 52.037 -0.007 0.000 0.656 645 A CB -0.261 18.738 19.000 -0.001 0.000 0.821 645 A HN 0.110 nan 8.150 nan 0.000 0.449 646 L N -0.673 120.539 121.223 -0.017 0.000 2.049 646 L HA -0.053 4.293 4.340 0.009 0.000 0.203 646 L C 2.415 179.271 176.870 -0.023 0.000 1.074 646 L CA 0.976 55.800 54.840 -0.028 0.000 0.749 646 L CB -0.482 41.544 42.059 -0.056 0.000 0.907 646 L HN 0.312 nan 8.230 nan 0.000 0.439 647 I N 0.180 120.742 120.570 -0.014 0.000 2.194 647 I HA -0.281 3.894 4.170 0.009 0.000 0.246 647 I C 2.559 178.675 176.117 -0.002 0.000 1.093 647 I CA 1.635 62.933 61.300 -0.002 0.000 1.355 647 I CB -0.770 37.236 38.000 0.010 0.000 1.046 647 I HN 0.324 nan 8.210 nan 0.000 0.413 648 G N 0.456 109.255 108.800 -0.003 0.000 2.450 648 G HA2 -0.330 3.635 3.960 0.009 0.000 0.220 648 G HA3 -0.330 3.635 3.960 0.009 0.000 0.220 648 G C 1.876 176.775 174.900 -0.003 0.000 1.130 648 G CA 1.243 46.343 45.100 -0.001 0.000 0.760 648 G HN 0.446 nan 8.290 nan 0.000 0.557 649 K N 0.395 120.791 120.400 -0.007 0.000 2.366 649 K HA 0.567 4.892 4.320 0.009 0.000 0.198 649 K C 2.500 179.091 176.600 -0.015 0.000 1.044 649 K CA 1.424 57.705 56.287 -0.011 0.000 0.973 649 K CB -0.412 32.080 32.500 -0.014 0.000 0.767 649 K HN 0.501 nan 8.250 nan 0.000 0.475 650 A N 1.400 124.211 122.820 -0.014 0.000 1.943 650 A HA -0.032 4.293 4.320 0.009 0.000 0.213 650 A C 2.009 179.591 177.584 -0.004 0.000 1.181 650 A CA 1.080 53.109 52.037 -0.013 0.000 0.653 650 A CB -0.078 18.914 19.000 -0.014 0.000 0.833 650 A HN 0.517 nan 8.150 nan 0.000 0.451 651 N N 0.960 119.660 118.700 0.000 0.000 2.188 651 N HA -0.063 4.683 4.740 0.009 0.000 0.184 651 N C 1.801 177.313 175.510 0.003 0.000 1.018 651 N CA 1.495 54.548 53.050 0.005 0.000 0.858 651 N CB -0.498 37.993 38.487 0.007 0.000 0.989 651 N HN 0.441 nan 8.380 nan 0.000 0.426 652 A N 0.656 123.476 122.820 0.000 0.000 2.014 652 A HA 0.166 4.491 4.320 0.009 0.000 0.218 652 A C 2.262 179.845 177.584 -0.002 0.000 1.163 652 A CA 1.563 53.600 52.037 -0.001 0.000 0.652 652 A CB -0.436 18.564 19.000 -0.001 0.000 0.808 652 A HN 0.307 nan 8.150 nan 0.000 0.449 653 A N -0.474 122.344 122.820 -0.005 0.000 1.935 653 A HA 0.182 4.508 4.320 0.009 0.000 0.214 653 A C 2.101 179.683 177.584 -0.004 0.000 1.178 653 A CA 1.003 53.035 52.037 -0.007 0.000 0.640 653 A CB -0.416 18.577 19.000 -0.012 0.000 0.825 653 A HN 0.422 nan 8.150 nan 0.000 0.447 654 L N -0.325 120.897 121.223 -0.001 0.000 2.027 654 L HA -0.140 4.206 4.340 0.009 0.000 0.206 654 L C 2.796 179.668 176.870 0.004 0.000 1.074 654 L CA 1.544 56.386 54.840 0.003 0.000 0.745 654 L CB -0.389 41.674 42.059 0.007 0.000 0.898 654 L HN 0.314 nan 8.230 nan 0.000 0.433 655 S N -0.317 115.385 115.700 0.004 0.000 2.399 655 S HA -0.098 4.378 4.470 0.009 0.000 0.231 655 S C 1.254 175.856 174.600 0.002 0.000 1.022 655 S CA 0.876 59.078 58.200 0.004 0.000 0.983 655 S CB -0.298 62.904 63.200 0.005 0.000 0.803 655 S HN 0.600 nan 8.310 nan 0.000 0.480 656 S N 1.830 117.530 115.700 0.000 0.000 2.596 656 S HA 0.095 4.571 4.470 0.009 0.000 0.262 656 S C 0.030 174.629 174.600 -0.002 0.000 1.218 656 S CA -0.712 57.488 58.200 -0.001 0.000 0.998 656 S CB -0.073 63.125 63.200 -0.003 0.000 1.060 656 S HN 0.352 nan 8.310 nan 0.000 0.552 657 D N 0.523 120.921 120.400 -0.003 0.000 2.376 657 D HA -0.019 4.627 4.640 0.009 0.000 0.278 657 D C 1.109 177.405 176.300 -0.005 0.000 1.384 657 D CA -0.039 53.959 54.000 -0.004 0.000 1.033 657 D CB -0.105 40.692 40.800 -0.005 0.000 1.102 657 D HN 0.552 nan 8.370 nan 0.000 0.530 658 L N 3.155 124.375 121.223 -0.004 0.000 2.357 658 L HA -0.212 4.134 4.340 0.009 0.000 0.220 658 L C 2.522 179.387 176.870 -0.008 0.000 1.123 658 L CA 0.686 55.523 54.840 -0.005 0.000 0.782 658 L CB -0.588 41.470 42.059 -0.002 0.000 0.910 658 L HN 0.314 nan 8.230 nan 0.000 0.442 659 S N -0.196 115.498 115.700 -0.009 0.000 2.414 659 S HA 0.101 4.577 4.470 0.009 0.000 0.227 659 S C 1.273 175.864 174.600 -0.016 0.000 1.022 659 S CA 0.376 58.569 58.200 -0.012 0.000 0.958 659 S CB -0.105 63.089 63.200 -0.011 0.000 0.797 659 S HN 0.387 nan 8.310 nan 0.000 0.493 660 A N 1.910 124.722 122.820 -0.014 0.000 2.567 660 A HA 0.212 4.537 4.320 0.009 0.000 0.240 660 A C 1.121 178.692 177.584 -0.022 0.000 1.053 660 A CA -0.047 51.980 52.037 -0.016 0.000 0.755 660 A CB -0.137 18.855 19.000 -0.014 0.000 0.978 660 A HN 0.563 nan 8.150 nan 0.000 0.507 661 L N 2.282 123.490 121.223 -0.026 0.000 2.083 661 L HA -0.152 4.194 4.340 0.009 0.000 0.209 661 L C 2.115 178.964 176.870 -0.035 0.000 1.083 661 L CA 2.421 57.240 54.840 -0.035 0.000 0.752 661 L CB -0.727 41.310 42.059 -0.037 0.000 0.899 661 L HN 0.859 nan 8.230 nan 0.000 0.433 662 E N -0.649 119.534 120.200 -0.028 0.000 2.110 662 E HA -0.198 4.158 4.350 0.009 0.000 0.193 662 E C 1.737 178.321 176.600 -0.026 0.000 0.988 662 E CA 1.262 57.646 56.400 -0.027 0.000 0.804 662 E CB -0.312 29.376 29.700 -0.020 0.000 0.745 662 E HN 0.613 nan 8.360 nan 0.000 0.458 663 N N 0.925 119.612 118.700 -0.021 0.000 2.250 663 N HA -0.036 4.710 4.740 0.009 0.000 0.181 663 N C 2.040 177.541 175.510 -0.015 0.000 1.017 663 N CA 0.701 53.741 53.050 -0.016 0.000 0.866 663 N CB 0.004 38.484 38.487 -0.012 0.000 0.985 663 N HN 0.187 nan 8.380 nan 0.000 0.429 664 I N 1.405 121.965 120.570 -0.018 0.000 2.133 664 I HA -0.217 3.959 4.170 0.009 0.000 0.238 664 I C 2.224 178.339 176.117 -0.004 0.000 1.074 664 I CA 0.882 62.175 61.300 -0.013 0.000 1.342 664 I CB -0.320 37.662 38.000 -0.031 0.000 1.053 664 I HN 0.003 nan 8.210 nan 0.000 0.404 665 I N 0.275 120.827 120.570 -0.030 0.000 2.068 665 I HA -0.426 3.750 4.170 0.009 0.000 0.238 665 I C 2.843 178.939 176.117 -0.035 0.000 1.046 665 I CA 1.752 63.030 61.300 -0.037 0.000 1.306 665 I CB -0.490 37.468 38.000 -0.069 0.000 1.023 665 I HN 0.239 nan 8.210 nan 0.000 0.399 666 S N 0.160 115.829 115.700 -0.052 0.000 2.381 666 S HA -0.220 4.256 4.470 0.009 0.000 0.230 666 S C 1.997 176.565 174.600 -0.053 0.000 1.052 666 S CA 2.012 60.176 58.200 -0.061 0.000 1.068 666 S CB -0.333 62.844 63.200 -0.039 0.000 0.918 666 S HN 0.264 nan 8.310 nan 0.000 0.448 667 V N 0.424 120.327 119.914 -0.017 0.000 2.307 667 V HA -0.134 3.991 4.120 0.009 0.000 0.245 667 V C 1.949 178.040 176.094 -0.005 0.000 1.045 667 V CA 2.153 64.448 62.300 -0.008 0.000 1.024 667 V CB -0.890 30.940 31.823 0.011 0.000 0.651 667 V HN 0.679 nan 8.190 nan 0.000 0.449 668 Y N 0.643 120.889 120.300 -0.090 0.000 2.097 668 Y HA -0.330 4.226 4.550 0.009 0.000 0.282 668 Y C 2.604 178.452 175.900 -0.087 0.000 1.152 668 Y CA 1.983 60.034 58.100 -0.082 0.000 1.136 668 Y CB -0.831 37.571 38.460 -0.096 0.000 0.975 668 Y HN 0.267 nan 8.280 nan 0.000 0.498 669 C N -0.485 118.656 119.300 -0.266 0.000 2.429 669 C HA -0.165 4.301 4.460 0.009 0.000 0.277 669 C C 2.904 177.776 174.990 -0.198 0.000 1.262 669 C CA 1.505 60.269 59.018 -0.424 0.000 1.733 669 C CB -1.421 25.892 27.740 -0.712 0.000 2.010 669 C HN 0.639 nan 8.230 nan 0.000 0.483 670 S N 0.760 116.358 115.700 -0.169 0.000 2.399 670 S HA -0.142 4.334 4.470 0.009 0.000 0.231 670 S C 1.678 176.199 174.600 -0.132 0.000 1.022 670 S CA 1.164 59.286 58.200 -0.130 0.000 0.983 670 S CB -0.340 62.810 63.200 -0.083 0.000 0.803 670 S HN 0.529 nan 8.310 nan 0.000 0.480 671 L N 0.981 122.115 121.223 -0.148 0.000 2.131 671 L HA 0.168 4.513 4.340 0.009 0.000 0.206 671 L C 2.052 178.842 176.870 -0.134 0.000 1.087 671 L CA 1.399 56.159 54.840 -0.132 0.000 0.767 671 L CB -0.502 41.480 42.059 -0.129 0.000 0.917 671 L HN 0.194 nan 8.230 nan 0.000 0.441 672 M N -0.738 118.743 119.600 -0.198 0.000 2.099 672 M HA -0.095 4.390 4.480 0.009 0.000 0.262 672 M C 2.432 178.691 176.300 -0.070 0.000 1.067 672 M CA 1.715 56.959 55.300 -0.095 0.000 1.124 672 M CB -1.509 31.002 32.600 -0.149 0.000 1.353 672 M HN 0.377 nan 8.290 nan 0.000 0.410 673 A N 0.506 123.201 122.820 -0.209 0.000 1.908 673 A HA -0.152 4.173 4.320 0.009 0.000 0.218 673 A C 2.194 179.631 177.584 -0.245 0.000 1.181 673 A CA 1.507 53.191 52.037 -0.587 0.000 0.627 673 A CB -0.919 17.370 19.000 -1.185 0.000 0.818 673 A HN 0.491 nan 8.150 nan 0.000 0.445 674 I N -0.544 119.957 120.570 -0.114 0.000 2.394 674 I HA -0.149 4.027 4.170 0.009 0.000 0.251 674 I C 2.573 178.722 176.117 0.053 0.000 1.136 674 I CA 0.948 62.288 61.300 0.066 0.000 1.425 674 I CB -0.538 37.485 38.000 0.039 0.000 1.079 674 I HN 0.409 nan 8.210 nan 0.000 0.425 675 G N 0.775 109.538 108.800 -0.062 0.000 2.421 675 G HA2 -0.174 3.792 3.960 0.009 0.000 0.217 675 G HA3 -0.174 3.792 3.960 0.009 0.000 0.217 675 G C 1.417 176.242 174.900 -0.124 0.000 1.143 675 G CA 0.342 45.277 45.100 -0.274 0.000 0.784 675 G HN 0.298 nan 8.290 nan 0.000 0.541 676 N N -0.266 118.507 118.700 0.122 0.000 2.416 676 N HA 0.002 4.748 4.740 0.009 0.000 0.177 676 N C 1.595 177.242 175.510 0.229 0.000 1.036 676 N CA 0.132 53.282 53.050 0.166 0.000 0.901 676 N CB -0.084 38.456 38.487 0.088 0.000 0.976 676 N HN 0.318 nan 8.380 nan 0.000 0.444 677 F N 2.163 122.206 119.950 0.155 0.000 2.163 677 F HA 0.070 4.602 4.527 0.009 0.000 0.297 677 F C 2.131 178.185 175.800 0.423 0.000 1.094 677 F CA 0.860 59.070 58.000 0.350 0.000 1.290 677 F CB -0.293 38.951 39.000 0.407 0.000 1.017 677 F HN -0.034 nan 8.300 nan 0.000 0.483 678 A N -0.312 122.508 122.820 -0.000 0.000 2.119 678 A HA -0.096 4.230 4.320 0.009 0.000 0.216 678 A C 2.056 179.511 177.584 -0.215 0.000 1.152 678 A CA 0.828 52.566 52.037 -0.497 0.000 0.708 678 A CB -0.782 17.588 19.000 -1.050 0.000 0.805 678 A HN 0.394 nan 8.150 nan 0.000 0.460 679 K N -0.181 120.174 120.400 -0.076 0.000 2.569 679 K HA 0.051 4.376 4.320 0.009 0.000 0.193 679 K C 1.205 177.815 176.600 0.017 0.000 1.026 679 K CA 0.616 56.888 56.287 -0.026 0.000 1.093 679 K CB -0.243 32.292 32.500 0.059 0.000 0.849 679 K HN 0.399 nan 8.250 nan 0.000 0.509 680 G N -0.254 108.551 108.800 0.007 0.000 2.815 680 G HA2 0.111 4.077 3.960 0.009 0.000 0.215 680 G HA3 0.111 4.077 3.960 0.009 0.000 0.215 680 G C -0.068 174.686 174.900 -0.243 0.000 1.054 680 G CA -0.376 44.676 45.100 -0.080 0.000 0.832 680 G HN 0.046 nan 8.290 nan 0.000 0.557 681 F N 2.332 122.059 119.950 -0.371 0.000 2.406 681 F HA 0.399 4.932 4.527 0.009 0.000 0.327 681 F C -1.383 174.176 175.800 -0.401 0.000 1.153 681 F CA -2.384 55.302 58.000 -0.524 0.000 1.218 681 F CB 0.716 39.151 39.000 -0.941 0.000 1.215 681 F HN -0.107 nan 8.300 nan 0.000 0.570 682 P HA 0.288 nan 4.420 nan 0.000 0.277 682 P C -0.960 176.367 177.300 0.046 0.000 1.240 682 P CA -0.436 62.662 63.100 -0.002 0.000 0.798 682 P CB 0.935 32.695 31.700 0.100 0.000 0.979 683 A N 1.698 124.561 122.820 0.072 0.000 2.475 683 A HA 0.413 4.739 4.320 0.009 0.000 0.239 683 A C 1.118 178.857 177.584 0.258 0.000 1.087 683 A CA 0.261 52.361 52.037 0.106 0.000 0.779 683 A CB -0.504 18.533 19.000 0.060 0.000 1.036 683 A HN 0.867 nan 8.150 nan 0.000 0.506 688 E N -0.090 120.049 120.200 -0.102 0.000 2.092 688 E HA 0.751 5.107 4.350 0.009 0.000 0.271 688 E C 0.245 176.695 176.600 -0.250 0.000 0.919 688 E CA -0.153 56.146 56.400 -0.168 0.000 0.760 688 E CB 0.730 30.357 29.700 -0.122 0.000 1.106 688 E HN 2.073 nan 8.360 nan 0.000 0.408 689 V N 0.963 120.590 119.914 -0.478 0.000 2.904 689 V HA 0.751 4.877 4.120 0.009 0.000 0.305 689 V C 1.712 177.411 176.094 -0.658 0.000 1.067 689 V CA 0.244 62.126 62.300 -0.696 0.000 1.044 689 V CB 1.349 32.291 31.823 -1.468 0.000 1.050 689 V HN 1.056 nan 8.190 nan 0.000 0.475 690 A N 3.051 125.619 122.820 -0.421 0.000 1.898 690 A HA -0.075 4.251 4.320 0.009 0.000 0.216 690 A C 1.857 179.361 177.584 -0.133 0.000 1.181 690 A CA 1.934 53.861 52.037 -0.185 0.000 0.620 690 A CB -0.677 18.316 19.000 -0.012 0.000 0.819 690 A HN 1.237 nan 8.150 nan 0.000 0.442 691 W N 0.192 121.517 121.300 0.042 0.000 2.350 691 W HA -0.158 4.508 4.660 0.010 0.000 0.289 691 W C 1.410 177.872 176.519 -0.095 0.000 1.215 691 W CA 0.757 58.050 57.345 -0.086 0.000 1.236 691 W CB -1.349 28.053 29.460 -0.096 0.000 1.130 691 W HN 0.240 nan 8.180 nan 0.000 0.541 692 L N 1.979 123.176 121.223 -0.043 0.000 1.997 692 L HA -0.358 3.987 4.340 0.009 0.000 0.227 692 L C 3.118 180.055 176.870 0.112 0.000 1.087 692 L CA 2.930 57.806 54.840 0.060 0.000 0.797 692 L CB -1.595 40.332 42.059 -0.220 0.000 0.902 692 L HN 0.071 nan 8.230 nan 0.000 0.441 693 A N 0.136 122.965 122.820 0.014 0.000 1.859 693 A HA -0.310 4.016 4.320 0.009 0.000 0.218 693 A C 2.467 180.080 177.584 0.049 0.000 1.209 693 A CA 2.965 55.017 52.037 0.025 0.000 0.639 693 A CB -1.206 17.790 19.000 -0.006 0.000 0.835 693 A HN 0.605 nan 8.150 nan 0.000 0.450 694 S N -1.158 114.548 115.700 0.009 0.000 2.402 694 S HA -0.180 4.296 4.470 0.009 0.000 0.233 694 S C 1.739 176.333 174.600 -0.010 0.000 1.030 694 S CA 1.651 59.829 58.200 -0.037 0.000 1.003 694 S CB -0.823 62.309 63.200 -0.113 0.000 0.813 694 S HN 0.522 nan 8.310 nan 0.000 0.477 695 F N 1.847 121.853 119.950 0.094 0.000 2.473 695 F HA 0.175 4.708 4.527 0.009 0.000 0.294 695 F C 2.539 178.376 175.800 0.063 0.000 1.103 695 F CA 0.026 58.062 58.000 0.061 0.000 1.442 695 F CB -0.043 38.981 39.000 0.039 0.000 1.097 695 F HN 0.218 nan 8.300 nan 0.000 0.547 696 N N 0.772 119.623 118.700 0.252 0.000 2.354 696 N HA -0.126 4.620 4.740 0.009 0.000 0.179 696 N C 2.136 177.726 175.510 0.133 0.000 1.021 696 N CA 1.241 54.392 53.050 0.169 0.000 0.887 696 N CB -0.165 38.396 38.487 0.124 0.000 0.974 696 N HN 0.275 nan 8.380 nan 0.000 0.437 697 K N 1.225 121.695 120.400 0.116 0.000 2.148 697 K HA 0.153 4.478 4.320 0.009 0.000 0.204 697 K C 2.066 178.728 176.600 0.103 0.000 1.050 697 K CA 1.227 57.566 56.287 0.087 0.000 0.942 697 K CB -0.785 31.750 32.500 0.059 0.000 0.724 697 K HN 0.257 nan 8.250 nan 0.000 0.446 698 A N 1.594 124.497 122.820 0.139 0.000 1.929 698 A HA -0.054 4.272 4.320 0.009 0.000 0.216 698 A C 2.626 180.286 177.584 0.127 0.000 1.176 698 A CA 2.133 54.252 52.037 0.138 0.000 0.628 698 A CB -0.656 18.470 19.000 0.210 0.000 0.816 698 A HN 0.784 nan 8.150 nan 0.000 0.444 699 S N 0.747 116.534 115.700 0.145 0.000 2.370 699 S HA -0.247 4.229 4.470 0.009 0.000 0.226 699 S C 1.444 176.185 174.600 0.234 0.000 1.033 699 S CA 1.596 59.890 58.200 0.158 0.000 1.011 699 S CB -0.674 62.630 63.200 0.174 0.000 0.852 699 S HN 0.525 nan 8.310 nan 0.000 0.457 700 D N 1.557 122.078 120.400 0.201 0.000 2.149 700 D HA -0.104 4.542 4.640 0.009 0.000 0.198 700 D C 1.964 178.402 176.300 0.230 0.000 0.990 700 D CA 1.556 55.685 54.000 0.215 0.000 0.839 700 D CB -0.479 40.380 40.800 0.097 0.000 0.948 700 D HN 0.619 nan 8.370 nan 0.000 0.460 701 E N 1.223 121.511 120.200 0.146 0.000 2.265 701 E HA -0.141 4.215 4.350 0.009 0.000 0.196 701 E C 2.185 178.837 176.600 0.085 0.000 0.996 701 E CA 0.493 56.953 56.400 0.101 0.000 0.832 701 E CB -0.468 29.270 29.700 0.064 0.000 0.756 701 E HN 0.565 nan 8.360 nan 0.000 0.491 702 I N -2.108 118.505 120.570 0.072 0.000 2.142 702 I HA -0.204 3.972 4.170 0.009 0.000 0.240 702 I C 1.800 177.881 176.117 -0.059 0.000 1.078 702 I CA 1.319 62.586 61.300 -0.054 0.000 1.343 702 I CB -0.767 37.119 38.000 -0.189 0.000 1.046 702 I HN -0.095 nan 8.210 nan 0.000 0.405 703 F N 1.966 121.923 119.950 0.011 0.000 2.091 703 F HA -0.254 4.279 4.527 0.010 0.000 0.299 703 F C 3.010 178.816 175.800 0.010 0.000 1.103 703 F CA 2.634 60.642 58.000 0.013 0.000 1.228 703 F CB -1.463 37.547 39.000 0.018 0.000 0.984 703 F HN 0.194 nan 8.300 nan 0.000 0.477 704 L N 1.138 122.484 121.223 0.205 0.000 2.021 704 L HA -0.193 4.152 4.340 0.009 0.000 0.215 704 L C 2.317 179.228 176.870 0.068 0.000 1.074 704 L CA 2.762 57.669 54.840 0.111 0.000 0.760 704 L CB -1.915 40.193 42.059 0.082 0.000 0.889 704 L HN 0.483 nan 8.230 nan 0.000 0.433 705 I N -3.364 117.232 120.570 0.044 0.000 2.876 705 I HA -0.003 4.173 4.170 0.009 0.000 0.264 705 I C 2.350 178.470 176.117 0.004 0.000 1.204 705 I CA 1.104 62.414 61.300 0.016 0.000 1.485 705 I CB -0.225 37.775 38.000 -0.001 0.000 1.103 705 I HN 0.343 nan 8.210 nan 0.000 0.446 706 L N 1.879 123.098 121.223 -0.007 0.000 2.217 706 L HA -0.081 4.265 4.340 0.009 0.000 0.211 706 L C 1.983 178.862 176.870 0.015 0.000 1.107 706 L CA 1.775 56.597 54.840 -0.031 0.000 0.783 706 L CB -1.005 40.983 42.059 -0.118 0.000 0.919 706 L HN 0.320 nan 8.230 nan 0.000 0.442 707 D N -0.418 120.014 120.400 0.053 0.000 2.103 707 D HA -0.159 4.487 4.640 0.009 0.000 0.199 707 D C 2.197 178.518 176.300 0.035 0.000 0.978 707 D CA 1.379 55.415 54.000 0.059 0.000 0.829 707 D CB 0.159 41.004 40.800 0.076 0.000 0.981 707 D HN 0.319 nan 8.370 nan 0.000 0.464 708 R N -0.854 119.662 120.500 0.028 0.000 2.100 708 R HA 0.201 4.547 4.340 0.009 0.000 0.220 708 R C 1.838 178.144 176.300 0.010 0.000 1.091 708 R CA 0.614 56.724 56.100 0.018 0.000 0.986 708 R CB 0.106 30.416 30.300 0.017 0.000 0.888 708 R HN 0.258 nan 8.270 nan 0.000 0.444 709 M N -0.178 119.426 119.600 0.007 0.000 2.405 709 M HA 0.195 4.681 4.480 0.009 0.000 0.292 709 M C 1.369 177.667 176.300 -0.004 0.000 1.111 709 M CA -0.113 55.188 55.300 0.001 0.000 0.979 709 M CB 1.334 33.936 32.600 0.003 0.000 1.426 709 M HN 0.189 nan 8.290 nan 0.000 0.509 710 G N 0.339 109.137 108.800 -0.003 0.000 2.527 710 G HA2 -0.218 3.747 3.960 0.009 0.000 0.219 710 G HA3 -0.218 3.747 3.960 0.009 0.000 0.219 710 G C 1.360 176.254 174.900 -0.010 0.000 1.117 710 G CA 1.185 46.278 45.100 -0.011 0.000 0.759 710 G HN 0.478 nan 8.290 nan 0.000 0.556 711 F N 1.378 121.324 119.950 -0.006 0.000 2.075 711 F HA 0.074 4.607 4.527 0.009 0.000 0.297 711 F C 1.478 177.270 175.800 -0.015 0.000 1.113 711 F CA 0.938 58.933 58.000 -0.008 0.000 1.218 711 F CB -1.041 37.955 39.000 -0.007 0.000 0.984 711 F HN 0.355 nan 8.300 nan 0.000 0.472 712 N N 1.029 119.719 118.700 -0.017 0.000 2.452 712 N HA 0.107 4.853 4.740 0.009 0.000 0.266 712 N C 1.114 176.608 175.510 -0.026 0.000 1.209 712 N CA 0.575 53.610 53.050 -0.025 0.000 0.929 712 N CB 0.542 39.013 38.487 -0.027 0.000 1.063 712 N HN 0.674 nan 8.380 nan 0.000 0.472 713 E N 2.105 122.285 120.200 -0.033 0.000 2.150 713 E HA -0.213 4.142 4.350 0.009 0.000 0.193 713 E C 0.253 176.835 176.600 -0.031 0.000 0.985 713 E CA 0.852 57.232 56.400 -0.032 0.000 0.814 713 E CB -0.070 29.609 29.700 -0.035 0.000 0.752 713 E HN 0.586 nan 8.360 nan 0.000 0.466 714 D N 1.592 121.956 120.400 -0.059 0.000 2.106 714 D HA -0.172 4.473 4.640 0.009 0.000 0.191 714 D C 2.050 178.387 176.300 0.061 0.000 0.997 714 D CA 1.177 55.121 54.000 -0.094 0.000 0.834 714 D CB -0.099 40.547 40.800 -0.256 0.000 0.956 714 D HN 0.245 nan 8.370 nan 0.000 0.448 715 I N 0.963 121.575 120.570 0.070 0.000 2.264 715 I HA -0.201 3.974 4.170 0.009 0.000 0.248 715 I C 2.457 178.608 176.117 0.057 0.000 1.111 715 I CA 0.918 62.293 61.300 0.125 0.000 1.382 715 I CB -0.881 37.151 38.000 0.053 0.000 1.060 715 I HN 0.014 nan 8.210 nan 0.000 0.418 716 R N 0.501 121.006 120.500 0.008 0.000 2.081 716 R HA -0.127 4.218 4.340 0.009 0.000 0.235 716 R C 2.445 178.716 176.300 -0.049 0.000 1.131 716 R CA 1.473 57.549 56.100 -0.040 0.000 0.960 716 R CB -0.597 29.676 30.300 -0.045 0.000 0.856 716 R HN 0.463 nan 8.270 nan 0.000 0.436 717 G N 0.324 109.129 108.800 0.007 0.000 2.421 717 G HA2 -0.282 3.684 3.960 0.009 0.000 0.216 717 G HA3 -0.282 3.684 3.960 0.009 0.000 0.216 717 G C 1.490 176.426 174.900 0.059 0.000 1.171 717 G CA 0.781 45.892 45.100 0.019 0.000 0.775 717 G HN 0.428 nan 8.290 nan 0.000 0.543 718 A N -0.162 122.743 122.820 0.142 0.000 2.024 718 A HA 0.080 4.405 4.320 0.009 0.000 0.220 718 A C 2.519 180.112 177.584 0.016 0.000 1.164 718 A CA 1.920 54.018 52.037 0.102 0.000 0.643 718 A CB -0.338 18.673 19.000 0.018 0.000 0.806 718 A HN 0.294 nan 8.150 nan 0.000 0.451 719 V N -0.733 119.138 119.914 -0.072 0.000 2.426 719 V HA -0.130 3.996 4.120 0.009 0.000 0.242 719 V C 2.444 178.334 176.094 -0.339 0.000 1.036 719 V CA 1.628 63.815 62.300 -0.189 0.000 1.044 719 V CB -0.706 30.991 31.823 -0.209 0.000 0.688 719 V HN 0.497 nan 8.190 nan 0.000 0.462 720 R N -0.695 119.536 120.500 -0.449 0.000 2.127 720 R HA -0.179 4.167 4.340 0.009 0.000 0.238 720 R C 2.156 178.133 176.300 -0.537 0.000 1.134 720 R CA 1.930 57.445 56.100 -0.974 0.000 0.975 720 R CB -0.399 29.465 30.300 -0.727 0.000 0.865 720 R HN 0.554 nan 8.270 nan 0.000 0.447 721 F N 1.069 120.837 119.950 -0.303 0.000 2.074 721 F HA -0.091 4.442 4.527 0.010 0.000 0.290 721 F C 2.111 177.840 175.800 -0.118 0.000 1.118 721 F CA 1.592 59.504 58.000 -0.147 0.000 1.199 721 F CB -0.849 38.085 39.000 -0.110 0.000 1.012 721 F HN -0.202 nan 8.300 nan 0.000 0.472 722 T N 0.554 114.757 114.554 -0.585 0.000 2.665 722 T HA -0.241 4.115 4.350 0.009 0.000 0.268 722 T C 2.243 176.693 174.700 -0.418 0.000 1.035 722 T CA 2.286 63.999 62.100 -0.646 0.000 1.151 722 T CB -0.960 67.719 68.868 -0.314 0.000 0.862 722 T HN 0.496 nan 8.240 nan 0.000 0.438 723 S N 1.415 116.963 115.700 -0.255 0.000 2.400 723 S HA -0.038 4.437 4.470 0.009 0.000 0.232 723 S C 2.370 176.967 174.600 -0.005 0.000 1.025 723 S CA 1.223 59.361 58.200 -0.103 0.000 0.993 723 S CB -1.103 62.073 63.200 -0.039 0.000 0.808 723 S HN 0.563 nan 8.310 nan 0.000 0.478 724 G N 1.799 110.615 108.800 0.026 0.000 2.422 724 G HA2 -0.090 3.876 3.960 0.009 0.000 0.218 724 G HA3 -0.090 3.876 3.960 0.009 0.000 0.218 724 G C 1.717 176.556 174.900 -0.102 0.000 1.140 724 G CA 0.169 45.330 45.100 0.101 0.000 0.775 724 G HN 0.327 nan 8.290 nan 0.000 0.545 725 R N 0.378 120.698 120.500 -0.299 0.000 2.073 725 R HA 0.139 4.485 4.340 0.009 0.000 0.229 725 R C 2.573 178.666 176.300 -0.344 0.000 1.120 725 R CA 0.569 56.458 56.100 -0.353 0.000 0.967 725 R CB -0.911 29.062 30.300 -0.545 0.000 0.862 725 R HN 0.451 nan 8.270 nan 0.000 0.436 726 I N 0.387 120.746 120.570 -0.351 0.000 2.315 726 I HA -0.216 3.960 4.170 0.009 0.000 0.248 726 I C 2.142 178.175 176.117 -0.140 0.000 1.117 726 I CA 1.081 62.182 61.300 -0.333 0.000 1.404 726 I CB -0.253 37.606 38.000 -0.236 0.000 1.071 726 I HN 0.026 nan 8.210 nan 0.000 0.419 727 I N 1.004 121.534 120.570 -0.066 0.000 2.394 727 I HA -0.270 3.906 4.170 0.009 0.000 0.251 727 I C 2.048 178.130 176.117 -0.058 0.000 1.136 727 I CA 1.155 62.458 61.300 0.006 0.000 1.425 727 I CB -0.394 37.627 38.000 0.035 0.000 1.079 727 I HN 0.288 nan 8.210 nan 0.000 0.425 728 N N 0.085 118.723 118.700 -0.103 0.000 2.521 728 N HA -0.048 4.697 4.740 0.009 0.000 0.188 728 N C 1.172 176.637 175.510 -0.076 0.000 1.146 728 N CA 0.603 53.597 53.050 -0.094 0.000 0.893 728 N CB 0.347 38.782 38.487 -0.087 0.000 0.975 728 N HN 0.114 nan 8.380 nan 0.000 0.451 729 V N -1.336 118.521 119.914 -0.094 0.000 2.911 729 V HA 0.098 4.224 4.120 0.009 0.000 0.237 729 V C 1.802 178.063 176.094 0.278 0.000 1.156 729 V CA 0.523 62.779 62.300 -0.074 0.000 1.180 729 V CB 0.448 32.009 31.823 -0.436 0.000 0.932 729 V HN 0.041 nan 8.190 nan 0.000 0.483 730 V N -0.249 119.779 119.914 0.190 0.000 2.426 730 V HA 0.341 4.466 4.120 0.009 0.000 0.242 730 V C 1.713 177.916 176.094 0.181 0.000 1.036 730 V CA 1.582 64.025 62.300 0.237 0.000 1.044 730 V CB -0.400 31.534 31.823 0.184 0.000 0.688 730 V HN 0.714 nan 8.190 nan 0.000 0.462 731 G N 0.718 109.606 108.800 0.148 0.000 2.588 731 G HA2 -0.259 3.707 3.960 0.009 0.000 0.273 731 G HA3 -0.259 3.707 3.960 0.009 0.000 0.273 731 G C -1.089 174.013 174.900 0.336 0.000 1.211 731 G CA 0.275 45.473 45.100 0.163 0.000 0.958 731 G HN 0.344 nan 8.290 nan 0.000 0.543 732 P HA 0.092 nan 4.420 nan 0.000 0.226 732 P C 0.563 177.922 177.300 0.098 0.000 1.153 732 P CA 1.630 64.847 63.100 0.196 0.000 0.777 732 P CB -0.164 31.610 31.700 0.122 0.000 0.794 733 D N -0.864 119.602 120.400 0.109 0.000 2.378 733 D HA -0.022 4.624 4.640 0.009 0.000 0.227 733 D C 1.552 177.900 176.300 0.081 0.000 1.012 733 D CA 0.692 54.737 54.000 0.076 0.000 0.905 733 D CB -0.096 40.752 40.800 0.079 0.000 0.895 733 D HN 0.289 nan 8.370 nan 0.000 0.532 734 M N -0.636 119.028 119.600 0.107 0.000 2.296 734 M HA 0.120 4.606 4.480 0.009 0.000 0.291 734 M C 1.300 177.627 176.300 0.044 0.000 1.013 734 M CA -0.004 55.363 55.300 0.113 0.000 1.089 734 M CB 0.419 33.129 32.600 0.184 0.000 1.677 734 M HN -0.113 nan 8.290 nan 0.000 0.584 735 L N 2.551 123.727 121.223 -0.079 0.000 2.085 735 L HA -0.144 4.202 4.340 0.009 0.000 0.218 735 L C -0.977 175.784 176.870 -0.181 0.000 1.080 735 L CA 2.533 57.161 54.840 -0.353 0.000 0.776 735 L CB -1.433 40.327 42.059 -0.499 0.000 0.891 735 L HN 0.260 nan 8.230 nan 0.000 0.437 736 P HA -0.122 nan 4.420 nan 0.000 0.222 736 P C 0.890 178.171 177.300 -0.032 0.000 1.147 736 P CA 2.119 65.182 63.100 -0.062 0.000 0.790 736 P CB -0.161 31.509 31.700 -0.049 0.000 0.780 737 K N -0.291 120.114 120.400 0.007 0.000 2.358 737 K HA 0.289 4.615 4.320 0.009 0.000 0.200 737 K C 1.850 178.557 176.600 0.178 0.000 1.030 737 K CA 0.215 56.533 56.287 0.052 0.000 1.097 737 K CB -1.053 31.457 32.500 0.017 0.000 0.862 737 K HN -0.078 nan 8.250 nan 0.000 0.534 738 V N 1.992 121.976 119.914 0.117 0.000 2.282 738 V HA -0.210 3.916 4.120 0.009 0.000 0.249 738 V C -0.194 175.991 176.094 0.153 0.000 1.057 738 V CA 2.525 64.912 62.300 0.146 0.000 1.032 738 V CB -0.347 31.506 31.823 0.051 0.000 0.645 738 V HN 0.503 nan 8.190 nan 0.000 0.447 739 P HA -0.188 nan 4.420 nan 0.000 0.218 739 P C 1.635 179.016 177.300 0.135 0.000 1.149 739 P CA 2.348 65.504 63.100 0.095 0.000 0.817 739 P CB -0.004 31.727 31.700 0.051 0.000 0.785 740 Q N 0.442 120.346 119.800 0.173 0.000 2.167 740 Q HA -0.072 4.274 4.340 0.009 0.000 0.202 740 Q C 2.377 178.590 176.000 0.356 0.000 0.970 740 Q CA 1.144 57.088 55.803 0.236 0.000 0.855 740 Q CB -1.514 27.339 28.738 0.192 0.000 0.911 740 Q HN 0.259 nan 8.270 nan 0.000 0.438 741 L N -0.210 121.237 121.223 0.373 0.000 1.973 741 L HA -0.150 4.196 4.340 0.009 0.000 0.208 741 L C 2.592 179.566 176.870 0.173 0.000 1.073 741 L CA 1.168 56.125 54.840 0.196 0.000 0.746 741 L CB -0.404 41.772 42.059 0.196 0.000 0.891 741 L HN 0.413 nan 8.230 nan 0.000 0.433 742 I N -0.224 120.471 120.570 0.209 0.000 2.091 742 I HA -0.396 3.780 4.170 0.009 0.000 0.240 742 I C 2.655 178.849 176.117 0.127 0.000 1.046 742 I CA 1.864 63.274 61.300 0.184 0.000 1.306 742 I CB -1.485 36.596 38.000 0.135 0.000 1.018 742 I HN 0.299 nan 8.210 nan 0.000 0.404 743 S N 0.982 116.750 115.700 0.113 0.000 2.365 743 S HA -0.156 4.319 4.470 0.009 0.000 0.225 743 S C 2.046 176.690 174.600 0.073 0.000 1.039 743 S CA 1.324 59.575 58.200 0.085 0.000 1.033 743 S CB -0.277 62.974 63.200 0.085 0.000 0.887 743 S HN 0.308 nan 8.310 nan 0.000 0.447 744 I N 1.759 122.381 120.570 0.086 0.000 2.090 744 I HA -0.157 4.019 4.170 0.009 0.000 0.236 744 I C 2.293 178.430 176.117 0.033 0.000 1.064 744 I CA 1.342 62.677 61.300 0.060 0.000 1.324 744 I CB -1.355 36.680 38.000 0.058 0.000 1.044 744 I HN 0.277 nan 8.210 nan 0.000 0.399 745 L N 0.446 121.686 121.223 0.028 0.000 2.137 745 L HA -0.260 4.086 4.340 0.009 0.000 0.213 745 L C 2.693 179.576 176.870 0.022 0.000 1.085 745 L CA 1.220 56.068 54.840 0.013 0.000 0.760 745 L CB -0.741 41.332 42.059 0.023 0.000 0.893 745 L HN 0.283 nan 8.230 nan 0.000 0.434 746 L N -0.317 120.928 121.223 0.036 0.000 2.012 746 L HA -0.228 4.117 4.340 0.009 0.000 0.210 746 L C 2.374 179.248 176.870 0.007 0.000 1.073 746 L CA 1.300 56.153 54.840 0.021 0.000 0.748 746 L CB -0.662 41.411 42.059 0.024 0.000 0.891 746 L HN 0.403 nan 8.230 nan 0.000 0.431 747 N N 0.054 118.760 118.700 0.011 0.000 2.270 747 N HA -0.112 4.633 4.740 0.009 0.000 0.181 747 N C 1.912 177.422 175.510 -0.000 0.000 1.016 747 N CA 1.484 54.537 53.050 0.005 0.000 0.870 747 N CB -0.223 38.271 38.487 0.010 0.000 0.979 747 N HN 0.371 nan 8.380 nan 0.000 0.431 748 S N 0.908 116.608 115.700 -0.001 0.000 2.593 748 S HA 0.151 4.627 4.470 0.009 0.000 0.217 748 S C 0.911 175.504 174.600 -0.011 0.000 0.966 748 S CA -0.341 57.855 58.200 -0.007 0.000 0.914 748 S CB -0.234 62.960 63.200 -0.009 0.000 0.776 748 S HN 0.229 nan 8.310 nan 0.000 0.523 749 I N 1.462 122.026 120.570 -0.010 0.000 2.993 749 I HA -0.017 4.159 4.170 0.009 0.000 0.301 749 I C -0.481 175.626 176.117 -0.018 0.000 1.229 749 I CA 0.442 61.733 61.300 -0.015 0.000 1.435 749 I CB 0.602 38.590 38.000 -0.019 0.000 1.328 749 I HN 0.251 nan 8.210 nan 0.000 0.584 750 D N 4.406 124.794 120.400 -0.020 0.000 2.831 750 D HA 0.426 5.072 4.640 0.009 0.000 0.240 750 D C 0.657 176.944 176.300 -0.021 0.000 1.183 750 D CA 0.106 54.094 54.000 -0.019 0.000 1.079 750 D CB 0.931 41.719 40.800 -0.020 0.000 1.262 750 D HN 0.470 nan 8.370 nan 0.000 0.634 751 M N -0.246 119.343 119.600 -0.019 0.000 2.571 751 M HA 0.117 4.603 4.480 0.009 0.000 0.259 751 M C 1.239 177.528 176.300 -0.018 0.000 1.205 751 M CA 0.793 56.082 55.300 -0.018 0.000 1.138 751 M CB -0.988 31.605 32.600 -0.012 0.000 1.329 751 M HN 0.139 nan 8.290 nan 0.000 0.503 752 N N 1.922 120.611 118.700 -0.018 0.000 2.309 752 N HA -0.102 4.644 4.740 0.009 0.000 0.182 752 N C 1.006 176.505 175.510 -0.018 0.000 1.018 752 N CA 1.772 54.811 53.050 -0.018 0.000 0.876 752 N CB -0.130 38.344 38.487 -0.021 0.000 0.972 752 N HN 0.892 nan 8.380 nan 0.000 0.434 753 E N 0.134 120.322 120.200 -0.020 0.000 2.496 753 E HA 0.194 4.550 4.350 0.009 0.000 0.200 753 E C 1.152 177.741 176.600 -0.019 0.000 1.016 753 E CA -0.133 56.256 56.400 -0.017 0.000 0.962 753 E CB -0.050 29.639 29.700 -0.018 0.000 1.071 753 E HN 0.199 nan 8.360 nan 0.000 0.457 754 L N 0.206 121.413 121.223 -0.027 0.000 2.291 754 L HA -0.067 4.279 4.340 0.009 0.000 0.214 754 L C 1.949 178.793 176.870 -0.043 0.000 1.120 754 L CA 0.504 55.317 54.840 -0.045 0.000 0.799 754 L CB -0.011 42.016 42.059 -0.054 0.000 0.925 754 L HN 0.173 nan 8.230 nan 0.000 0.446 755 V N -0.226 119.676 119.914 -0.019 0.000 2.825 755 V HA -0.120 4.006 4.120 0.009 0.000 0.246 755 V C 2.463 178.569 176.094 0.020 0.000 1.068 755 V CA 1.736 64.034 62.300 -0.004 0.000 1.088 755 V CB 0.077 31.902 31.823 0.003 0.000 0.733 755 V HN 0.559 nan 8.190 nan 0.000 0.468 756 D N -0.815 119.597 120.400 0.021 0.000 2.224 756 D HA -0.107 4.539 4.640 0.009 0.000 0.205 756 D C 2.078 178.430 176.300 0.086 0.000 0.965 756 D CA 1.586 55.613 54.000 0.044 0.000 0.852 756 D CB -0.121 40.691 40.800 0.019 0.000 0.947 756 D HN 0.257 nan 8.370 nan 0.000 0.494 757 V N 0.412 120.363 119.914 0.061 0.000 2.283 757 V HA -0.096 4.029 4.120 0.009 0.000 0.243 757 V C 2.878 179.028 176.094 0.093 0.000 1.039 757 V CA 1.029 63.388 62.300 0.098 0.000 1.016 757 V CB -0.395 31.441 31.823 0.022 0.000 0.650 757 V HN 0.523 nan 8.190 nan 0.000 0.449 758 L N 0.832 122.041 121.223 -0.023 0.000 2.013 758 L HA -0.220 4.125 4.340 0.009 0.000 0.212 758 L C 2.763 179.704 176.870 0.119 0.000 1.073 758 L CA 2.297 57.074 54.840 -0.106 0.000 0.753 758 L CB -0.846 41.094 42.059 -0.197 0.000 0.890 758 L HN 0.610 nan 8.230 nan 0.000 0.432 759 S N -0.462 115.320 115.700 0.137 0.000 2.402 759 S HA -0.225 4.250 4.470 0.009 0.000 0.229 759 S C 1.940 176.663 174.600 0.205 0.000 1.021 759 S CA 0.829 59.127 58.200 0.164 0.000 0.974 759 S CB -0.796 62.482 63.200 0.130 0.000 0.800 759 S HN 0.392 nan 8.310 nan 0.000 0.484 760 F N 2.249 122.243 119.950 0.074 0.000 2.171 760 F HA 0.110 4.642 4.527 0.010 0.000 0.300 760 F C 1.717 177.574 175.800 0.096 0.000 1.090 760 F CA 0.494 58.538 58.000 0.073 0.000 1.293 760 F CB -0.596 38.437 39.000 0.055 0.000 1.013 760 F HN 0.168 nan 8.300 nan 0.000 0.486 761 I N 0.077 120.651 120.570 0.005 0.000 2.163 761 I HA -0.307 3.869 4.170 0.009 0.000 0.240 761 I C 2.571 178.693 176.117 0.009 0.000 1.081 761 I CA 1.750 63.026 61.300 -0.041 0.000 1.353 761 I CB -0.623 37.489 38.000 0.187 0.000 1.054 761 I HN 0.162 nan 8.210 nan 0.000 0.407 762 S N -0.257 115.522 115.700 0.133 0.000 2.423 762 S HA -0.250 4.226 4.470 0.009 0.000 0.231 762 S C 1.888 176.482 174.600 -0.010 0.000 1.014 762 S CA 0.920 59.121 58.200 0.002 0.000 0.965 762 S CB -0.584 62.620 63.200 0.005 0.000 0.785 762 S HN 0.495 nan 8.310 nan 0.000 0.495 763 Q N 1.102 120.905 119.800 0.005 0.000 2.096 763 Q HA -0.104 4.241 4.340 0.009 0.000 0.204 763 Q C 2.045 178.019 176.000 -0.043 0.000 0.982 763 Q CA 1.560 57.371 55.803 0.013 0.000 0.850 763 Q CB -0.285 28.489 28.738 0.061 0.000 0.901 763 Q HN 0.612 nan 8.270 nan 0.000 0.422 764 L N -0.132 121.000 121.223 -0.151 0.000 2.068 764 L HA -0.113 4.233 4.340 0.009 0.000 0.204 764 L C 2.373 179.213 176.870 -0.050 0.000 1.076 764 L CA 0.607 55.349 54.840 -0.164 0.000 0.753 764 L CB -0.379 41.563 42.059 -0.194 0.000 0.910 764 L HN 0.274 nan 8.230 nan 0.000 0.439 765 I N -0.253 120.303 120.570 -0.023 0.000 2.479 765 I HA -0.353 3.823 4.170 0.009 0.000 0.258 765 I C 2.520 178.663 176.117 0.044 0.000 1.165 765 I CA 1.276 62.576 61.300 0.000 0.000 1.422 765 I CB -0.372 37.485 38.000 -0.239 0.000 1.087 765 I HN 0.380 nan 8.210 nan 0.000 0.441 766 H N 0.994 120.012 119.070 -0.087 0.000 2.320 766 H HA 0.015 4.576 4.556 0.009 0.000 0.309 766 H C 2.135 177.404 175.328 -0.097 0.000 1.057 766 H CA 1.425 57.427 56.048 -0.077 0.000 1.374 766 H CB -0.150 29.563 29.762 -0.083 0.000 1.421 766 H HN 0.114 nan 8.280 nan 0.000 0.532 767 I N -0.223 120.131 120.570 -0.360 0.000 2.118 767 I HA -0.277 3.899 4.170 0.009 0.000 0.241 767 I C 0.106 175.946 176.117 -0.461 0.000 1.070 767 I CA 1.395 62.355 61.300 -0.567 0.000 1.327 767 I CB -0.220 37.331 38.000 -0.750 0.000 1.034 767 I HN 0.244 nan 8.210 nan 0.000 0.405 768 Y N -0.087 120.181 120.300 -0.054 0.000 2.363 768 Y HA 0.464 5.020 4.550 0.010 0.000 0.325 768 Y C 0.832 176.754 175.900 0.036 0.000 0.984 768 Y CA -0.708 57.382 58.100 -0.017 0.000 1.248 768 Y CB 0.470 38.930 38.460 -0.000 0.000 1.116 768 Y HN -0.156 nan 8.280 nan 0.000 0.470 769 K N 1.318 121.822 120.400 0.175 0.000 1.974 769 K HA -0.102 4.223 4.320 0.009 0.000 0.211 769 K C 1.211 177.940 176.600 0.216 0.000 1.039 769 K CA 2.212 58.634 56.287 0.225 0.000 0.947 769 K CB -0.715 31.884 32.500 0.166 0.000 0.735 769 K HN 0.656 nan 8.250 nan 0.000 0.441 770 D N 1.091 121.539 120.400 0.080 0.000 2.149 770 D HA -0.151 4.495 4.640 0.009 0.000 0.198 770 D C 1.725 178.004 176.300 -0.034 0.000 0.990 770 D CA 1.170 55.146 54.000 -0.040 0.000 0.839 770 D CB -0.290 40.486 40.800 -0.039 0.000 0.948 770 D HN 0.427 nan 8.370 nan 0.000 0.460 771 N N 0.445 119.165 118.700 0.034 0.000 2.149 771 N HA -0.153 4.593 4.740 0.009 0.000 0.188 771 N C 1.717 177.245 175.510 0.030 0.000 1.019 771 N CA 0.653 53.704 53.050 0.001 0.000 0.857 771 N CB -0.265 38.194 38.487 -0.046 0.000 0.997 771 N HN 0.178 nan 8.380 nan 0.000 0.426 772 M N 0.666 120.354 119.600 0.146 0.000 2.619 772 M HA 0.126 4.612 4.480 0.009 0.000 0.251 772 M C 1.870 178.311 176.300 0.236 0.000 1.106 772 M CA 0.451 55.879 55.300 0.213 0.000 1.086 772 M CB -0.200 32.589 32.600 0.315 0.000 1.465 772 M HN 0.102 nan 8.290 nan 0.000 0.506 773 M N 0.277 119.898 119.600 0.035 0.000 2.082 773 M HA -0.261 4.225 4.480 0.009 0.000 0.258 773 M C 2.047 178.339 176.300 -0.015 0.000 1.071 773 M CA 2.740 57.924 55.300 -0.193 0.000 1.103 773 M CB -0.521 31.790 32.600 -0.482 0.000 1.307 773 M HN 0.398 nan 8.290 nan 0.000 0.409 774 E N 0.644 120.830 120.200 -0.023 0.000 2.118 774 E HA -0.190 4.166 4.350 0.009 0.000 0.195 774 E C 1.567 178.193 176.600 0.043 0.000 0.992 774 E CA 1.951 58.353 56.400 0.004 0.000 0.804 774 E CB -1.328 28.366 29.700 -0.010 0.000 0.741 774 E HN 0.794 nan 8.360 nan 0.000 0.458 775 I N 0.685 121.293 120.570 0.063 0.000 2.179 775 I HA -0.214 3.961 4.170 0.009 0.000 0.242 775 I C 2.838 179.018 176.117 0.104 0.000 1.088 775 I CA 1.861 63.206 61.300 0.076 0.000 1.357 775 I CB -0.768 37.281 38.000 0.081 0.000 1.051 775 I HN 0.240 nan 8.210 nan 0.000 0.409 776 T N 0.521 115.175 114.554 0.166 0.000 2.720 776 T HA -0.239 4.117 4.350 0.009 0.000 0.268 776 T C 1.746 176.536 174.700 0.149 0.000 1.037 776 T CA 1.923 64.147 62.100 0.207 0.000 1.144 776 T CB -0.630 68.457 68.868 0.365 0.000 0.864 776 T HN 0.425 nan 8.240 nan 0.000 0.444 777 N N 0.549 119.322 118.700 0.123 0.000 2.036 777 N HA -0.221 4.525 4.740 0.009 0.000 0.195 777 N C 2.329 177.863 175.510 0.041 0.000 1.037 777 N CA 1.654 54.751 53.050 0.079 0.000 0.855 777 N CB -0.165 38.357 38.487 0.058 0.000 1.033 777 N HN 0.367 nan 8.380 nan 0.000 0.423 778 R N 0.846 121.368 120.500 0.037 0.000 2.285 778 R HA 0.005 4.351 4.340 0.009 0.000 0.213 778 R C 1.702 178.005 176.300 0.004 0.000 1.068 778 R CA 1.372 57.482 56.100 0.018 0.000 1.004 778 R CB -0.926 29.389 30.300 0.024 0.000 0.873 778 R HN 0.511 nan 8.270 nan 0.000 0.467 779 M N -1.311 118.299 119.600 0.018 0.000 2.653 779 M HA 0.229 4.715 4.480 0.009 0.000 0.259 779 M C 1.922 178.197 176.300 -0.041 0.000 1.244 779 M CA 0.473 55.773 55.300 0.001 0.000 1.163 779 M CB 0.316 32.940 32.600 0.039 0.000 1.309 779 M HN 0.249 nan 8.290 nan 0.000 0.509 780 L N 2.313 123.526 121.223 -0.017 0.000 2.051 780 L HA -0.122 4.224 4.340 0.009 0.000 0.214 780 L C -0.958 175.766 176.870 -0.242 0.000 1.076 780 L CA 2.322 57.127 54.840 -0.059 0.000 0.758 780 L CB -1.338 40.726 42.059 0.008 0.000 0.890 780 L HN 0.188 nan 8.230 nan 0.000 0.433 781 P HA -0.162 nan 4.420 nan 0.000 0.216 781 P C 1.379 178.421 177.300 -0.430 0.000 1.150 781 P CA 1.981 64.765 63.100 -0.528 0.000 0.843 781 P CB -0.170 31.343 31.700 -0.313 0.000 0.787 782 T N 0.821 115.233 114.554 -0.238 0.000 2.735 782 T HA -0.004 4.352 4.350 0.009 0.000 0.256 782 T C 2.069 176.649 174.700 -0.199 0.000 1.042 782 T CA 0.935 62.932 62.100 -0.171 0.000 1.147 782 T CB -0.929 67.882 68.868 -0.096 0.000 0.865 782 T HN 0.035 nan 8.240 nan 0.000 0.421 783 L N 0.685 121.792 121.223 -0.194 0.000 2.081 783 L HA -0.108 4.237 4.340 0.009 0.000 0.212 783 L C 2.528 179.222 176.870 -0.293 0.000 1.080 783 L CA 1.125 55.838 54.840 -0.212 0.000 0.754 783 L CB -0.739 41.190 42.059 -0.217 0.000 0.893 783 L HN 0.242 nan 8.230 nan 0.000 0.433 784 L N -0.353 120.626 121.223 -0.407 0.000 1.994 784 L HA -0.235 4.110 4.340 0.009 0.000 0.208 784 L C 2.787 179.124 176.870 -0.889 0.000 1.071 784 L CA 1.771 56.187 54.840 -0.707 0.000 0.745 784 L CB -0.433 41.144 42.059 -0.803 0.000 0.892 784 L HN 0.412 nan 8.230 nan 0.000 0.431 785 M N -1.775 117.522 119.600 -0.506 0.000 2.374 785 M HA -0.124 4.362 4.480 0.009 0.000 0.264 785 M C 2.143 178.395 176.300 -0.079 0.000 1.067 785 M CA 1.399 56.591 55.300 -0.179 0.000 1.103 785 M CB -0.496 32.133 32.600 0.048 0.000 1.402 785 M HN 0.082 nan 8.290 nan 0.000 0.444 786 R N 1.641 122.063 120.500 -0.130 0.000 2.055 786 R HA 0.100 4.445 4.340 0.009 0.000 0.228 786 R C 2.275 178.547 176.300 -0.047 0.000 1.143 786 R CA 1.548 57.606 56.100 -0.069 0.000 0.945 786 R CB -0.903 29.344 30.300 -0.088 0.000 0.841 786 R HN 0.493 nan 8.270 nan 0.000 0.429 787 I N 0.672 121.176 120.570 -0.110 0.000 2.151 787 I HA -0.301 3.874 4.170 0.009 0.000 0.243 787 I C 2.263 178.430 176.117 0.084 0.000 1.080 787 I CA 1.354 62.597 61.300 -0.095 0.000 1.339 787 I CB -0.397 37.445 38.000 -0.264 0.000 1.039 787 I HN -0.021 nan 8.210 nan 0.000 0.409 788 F N 1.299 121.179 119.950 -0.117 0.000 2.126 788 F HA -0.250 4.282 4.527 0.009 0.000 0.299 788 F C 3.051 178.839 175.800 -0.022 0.000 1.096 788 F CA 1.596 59.566 58.000 -0.051 0.000 1.255 788 F CB -1.524 37.483 39.000 0.010 0.000 0.997 788 F HN 0.218 nan 8.300 nan 0.000 0.479 789 S N -0.450 115.360 115.700 0.182 0.000 2.387 789 S HA -0.116 4.360 4.470 0.009 0.000 0.226 789 S C 2.045 176.684 174.600 0.065 0.000 1.026 789 S CA 1.097 59.357 58.200 0.100 0.000 0.972 789 S CB -0.830 62.411 63.200 0.068 0.000 0.814 789 S HN 0.357 nan 8.310 nan 0.000 0.477 790 S N 1.325 117.055 115.700 0.050 0.000 2.496 790 S HA 0.273 4.749 4.470 0.009 0.000 0.224 790 S C 1.727 176.357 174.600 0.050 0.000 0.996 790 S CA 0.225 58.446 58.200 0.035 0.000 0.927 790 S CB -0.584 62.624 63.200 0.013 0.000 0.774 790 S HN 0.502 nan 8.310 nan 0.000 0.524 791 L N 1.948 123.215 121.223 0.074 0.000 2.446 791 L HA 0.091 4.436 4.340 0.009 0.000 0.219 791 L C 2.482 179.428 176.870 0.127 0.000 1.116 791 L CA 0.896 55.807 54.840 0.117 0.000 0.844 791 L CB -0.399 41.767 42.059 0.178 0.000 0.970 791 L HN 0.470 nan 8.230 nan 0.000 0.457 792 S N 0.066 115.817 115.700 0.084 0.000 2.446 792 S HA 0.097 4.573 4.470 0.009 0.000 0.225 792 S C 1.241 175.870 174.600 0.049 0.000 1.016 792 S CA 0.175 58.407 58.200 0.053 0.000 0.943 792 S CB -0.260 62.953 63.200 0.023 0.000 0.786 792 S HN 0.228 nan 8.310 nan 0.000 0.508 793 A N 2.241 125.090 122.820 0.049 0.000 2.473 793 A HA 0.637 4.963 4.320 0.009 0.000 0.282 793 A C 0.668 178.279 177.584 0.044 0.000 1.163 793 A CA -0.100 51.960 52.037 0.039 0.000 0.827 793 A CB -0.821 18.198 19.000 0.033 0.000 1.098 793 A HN 0.704 nan 8.150 nan 0.000 0.515 794 A N 5.896 128.740 122.820 0.040 0.000 2.520 794 A HA 0.498 4.824 4.320 0.009 0.000 0.245 794 A C -1.537 176.066 177.584 0.032 0.000 1.072 794 A CA -0.955 51.107 52.037 0.041 0.000 0.761 794 A CB -0.357 18.664 19.000 0.035 0.000 1.004 794 A HN 0.748 nan 8.150 nan 0.000 0.499 795 P HA 0.044 nan 4.420 nan 0.000 0.266 795 P C -0.378 176.932 177.300 0.017 0.000 1.195 795 P CA 0.140 63.254 63.100 0.023 0.000 0.768 795 P CB 0.736 32.450 31.700 0.023 0.000 0.838 796 Q N 0.619 120.427 119.800 0.013 0.000 2.247 796 Q HA 0.330 4.675 4.340 0.009 0.000 0.204 796 Q C 0.885 176.889 176.000 0.008 0.000 0.872 796 Q CA 0.177 55.986 55.803 0.010 0.000 0.951 796 Q CB 1.064 29.807 28.738 0.008 0.000 1.099 796 Q HN 0.772 nan 8.270 nan 0.000 0.501 797 G N -1.404 107.400 108.800 0.008 0.000 2.441 797 G HA2 0.206 4.171 3.960 0.009 0.000 0.294 797 G HA3 0.206 4.171 3.960 0.009 0.000 0.294 797 G C 0.191 175.094 174.900 0.006 0.000 1.393 797 G CA -0.331 44.772 45.100 0.006 0.000 0.796 797 G HN -0.158 nan 8.290 nan 0.000 0.494 798 T N 0.396 114.952 114.554 0.004 0.000 2.595 798 T HA -0.087 4.268 4.350 0.009 0.000 0.264 798 T C 1.924 176.626 174.700 0.004 0.000 1.058 798 T CA 2.073 64.175 62.100 0.004 0.000 1.166 798 T CB -0.379 68.491 68.868 0.003 0.000 0.863 798 T HN 0.506 nan 8.240 nan 0.000 0.415 799 D N 1.189 121.591 120.400 0.002 0.000 2.170 799 D HA -0.139 4.507 4.640 0.009 0.000 0.193 799 D C 1.978 178.279 176.300 0.002 0.000 1.004 799 D CA 1.152 55.152 54.000 0.001 0.000 0.860 799 D CB -0.445 40.354 40.800 -0.001 0.000 0.931 799 D HN 0.381 nan 8.370 nan 0.000 0.448 800 D N 0.361 120.763 120.400 0.004 0.000 2.092 800 D HA -0.131 4.515 4.640 0.009 0.000 0.193 800 D C 2.059 178.366 176.300 0.011 0.000 0.994 800 D CA 1.484 55.489 54.000 0.008 0.000 0.828 800 D CB -0.371 40.435 40.800 0.010 0.000 0.963 800 D HN 0.166 nan 8.370 nan 0.000 0.450 801 A N 0.716 123.543 122.820 0.012 0.000 1.978 801 A HA -0.141 4.185 4.320 0.009 0.000 0.220 801 A C 2.563 180.152 177.584 0.009 0.000 1.170 801 A CA 1.231 53.277 52.037 0.014 0.000 0.636 801 A CB -0.639 18.369 19.000 0.013 0.000 0.810 801 A HN 0.156 nan 8.150 nan 0.000 0.448 802 V N 0.029 119.947 119.914 0.006 0.000 2.283 802 V HA -0.180 3.945 4.120 0.009 0.000 0.243 802 V C 3.172 179.266 176.094 0.001 0.000 1.039 802 V CA 2.536 64.838 62.300 0.002 0.000 1.016 802 V CB -1.078 30.746 31.823 0.001 0.000 0.650 802 V HN 0.693 nan 8.190 nan 0.000 0.449 803 K N -0.479 119.921 120.400 0.001 0.000 2.152 803 K HA -0.253 4.073 4.320 0.009 0.000 0.206 803 K C 1.916 178.516 176.600 0.000 0.000 1.048 803 K CA 1.937 58.224 56.287 -0.001 0.000 0.933 803 K CB -0.676 31.824 32.500 -0.001 0.000 0.721 803 K HN 0.672 nan 8.250 nan 0.000 0.447 804 Q N -0.926 118.877 119.800 0.006 0.000 2.049 804 Q HA -0.131 4.215 4.340 0.009 0.000 0.198 804 Q C 2.764 178.760 176.000 -0.006 0.000 0.971 804 Q CA 1.561 57.369 55.803 0.009 0.000 0.833 804 Q CB -0.490 28.264 28.738 0.027 0.000 0.896 804 Q HN 0.819 nan 8.270 nan 0.000 0.434 805 N N 1.401 120.096 118.700 -0.007 0.000 2.069 805 N HA -0.251 4.494 4.740 0.009 0.000 0.191 805 N C 1.656 177.149 175.510 -0.029 0.000 1.031 805 N CA 2.252 55.289 53.050 -0.022 0.000 0.852 805 N CB -1.806 36.674 38.487 -0.012 0.000 1.018 805 N HN 0.560 nan 8.380 nan 0.000 0.423 806 D N 0.429 120.820 120.400 -0.015 0.000 2.106 806 D HA -0.058 4.587 4.640 0.009 0.000 0.191 806 D C 2.018 178.312 176.300 -0.010 0.000 0.997 806 D CA 1.405 55.399 54.000 -0.010 0.000 0.834 806 D CB -0.516 40.282 40.800 -0.004 0.000 0.956 806 D HN 0.502 nan 8.370 nan 0.000 0.448 807 L N -0.553 120.664 121.223 -0.010 0.000 1.971 807 L HA -0.253 4.093 4.340 0.009 0.000 0.215 807 L C 3.105 179.974 176.870 -0.002 0.000 1.072 807 L CA 1.879 56.716 54.840 -0.004 0.000 0.758 807 L CB -0.369 41.681 42.059 -0.014 0.000 0.889 807 L HN 0.296 nan 8.230 nan 0.000 0.433 808 R N -0.155 120.304 120.500 -0.068 0.000 2.134 808 R HA -0.290 4.056 4.340 0.009 0.000 0.248 808 R C 2.508 178.721 176.300 -0.145 0.000 1.143 808 R CA 2.716 58.690 56.100 -0.210 0.000 0.957 808 R CB -0.624 29.498 30.300 -0.296 0.000 0.867 808 R HN 0.420 nan 8.270 nan 0.000 0.441 809 K N 0.683 121.035 120.400 -0.079 0.000 1.978 809 K HA -0.194 4.132 4.320 0.009 0.000 0.214 809 K C 2.048 178.651 176.600 0.005 0.000 1.049 809 K CA 2.171 58.433 56.287 -0.043 0.000 0.939 809 K CB -1.471 31.016 32.500 -0.022 0.000 0.721 809 K HN 0.509 nan 8.250 nan 0.000 0.441 810 S N -0.530 115.194 115.700 0.040 0.000 2.399 810 S HA -0.206 4.270 4.470 0.009 0.000 0.231 810 S C 2.097 176.795 174.600 0.163 0.000 1.022 810 S CA 1.591 59.843 58.200 0.087 0.000 0.983 810 S CB -0.717 62.527 63.200 0.073 0.000 0.803 810 S HN 0.633 nan 8.310 nan 0.000 0.480 811 Y N 2.733 123.039 120.300 0.010 0.000 2.097 811 Y HA -0.073 4.483 4.550 0.009 0.000 0.282 811 Y C 1.891 177.871 175.900 0.135 0.000 1.152 811 Y CA 1.067 59.203 58.100 0.059 0.000 1.136 811 Y CB -0.754 37.718 38.460 0.019 0.000 0.975 811 Y HN 0.270 nan 8.280 nan 0.000 0.498 812 I N -0.629 119.842 120.570 -0.165 0.000 2.113 812 I HA -0.343 3.832 4.170 0.009 0.000 0.238 812 I C 2.530 178.611 176.117 -0.060 0.000 1.070 812 I CA 1.765 62.930 61.300 -0.226 0.000 1.332 812 I CB -0.817 37.102 38.000 -0.136 0.000 1.044 812 I HN 0.087 nan 8.210 nan 0.000 0.402 813 S N 0.459 116.162 115.700 0.004 0.000 2.420 813 S HA -0.223 4.253 4.470 0.009 0.000 0.237 813 S C 1.781 176.414 174.600 0.054 0.000 1.023 813 S CA 1.503 59.718 58.200 0.026 0.000 0.991 813 S CB -0.479 62.742 63.200 0.035 0.000 0.792 813 S HN 0.348 nan 8.310 nan 0.000 0.488 814 F N 1.896 121.825 119.950 -0.035 0.000 2.060 814 F HA -0.001 4.532 4.527 0.009 0.000 0.295 814 F C 1.913 177.690 175.800 -0.039 0.000 1.120 814 F CA 1.193 59.178 58.000 -0.025 0.000 1.205 814 F CB -0.440 38.583 39.000 0.038 0.000 0.986 814 F HN 0.094 nan 8.300 nan 0.000 0.470 815 I N -0.147 120.486 120.570 0.105 0.000 2.335 815 I HA -0.284 3.891 4.170 0.009 0.000 0.251 815 I C 2.252 178.359 176.117 -0.016 0.000 1.129 815 I CA 0.896 62.217 61.300 0.035 0.000 1.402 815 I CB -0.454 37.569 38.000 0.039 0.000 1.069 815 I HN 0.248 nan 8.210 nan 0.000 0.424 816 L N 0.941 122.146 121.223 -0.031 0.000 2.093 816 L HA -0.221 4.125 4.340 0.009 0.000 0.208 816 L C 2.840 179.666 176.870 -0.074 0.000 1.085 816 L CA 2.414 57.240 54.840 -0.024 0.000 0.755 816 L CB -1.072 40.977 42.059 -0.016 0.000 0.904 816 L HN 0.317 nan 8.230 nan 0.000 0.435 817 Q N -0.910 118.798 119.800 -0.153 0.000 2.020 817 Q HA -0.104 4.241 4.340 0.009 0.000 0.202 817 Q C 2.480 178.313 176.000 -0.278 0.000 0.982 817 Q CA 3.228 58.894 55.803 -0.229 0.000 0.838 817 Q CB -1.869 26.666 28.738 -0.337 0.000 0.899 817 Q HN 0.613 nan 8.270 nan 0.000 0.423 818 L N 0.312 121.301 121.223 -0.390 0.000 1.991 818 L HA -0.150 4.196 4.340 0.009 0.000 0.221 818 L C 2.963 179.823 176.870 -0.017 0.000 1.079 818 L CA 2.760 57.411 54.840 -0.314 0.000 0.778 818 L CB -1.739 40.210 42.059 -0.184 0.000 0.893 818 L HN 0.650 nan 8.230 nan 0.000 0.437 819 L N -0.454 120.780 121.223 0.018 0.000 2.012 819 L HA -0.218 4.127 4.340 0.009 0.000 0.210 819 L C 2.682 179.558 176.870 0.011 0.000 1.073 819 L CA 1.692 56.556 54.840 0.040 0.000 0.748 819 L CB -0.773 41.309 42.059 0.039 0.000 0.891 819 L HN 0.605 nan 8.230 nan 0.000 0.431 820 N N 0.321 119.013 118.700 -0.013 0.000 2.453 820 N HA -0.128 4.617 4.740 0.009 0.000 0.183 820 N C 1.772 177.289 175.510 0.011 0.000 1.041 820 N CA 1.528 54.570 53.050 -0.012 0.000 0.900 820 N CB -0.076 38.396 38.487 -0.026 0.000 0.961 820 N HN 0.391 nan 8.380 nan 0.000 0.443 821 K N 0.212 120.633 120.400 0.035 0.000 2.353 821 K HA 0.385 4.710 4.320 0.009 0.000 0.195 821 K C 0.844 177.581 176.600 0.228 0.000 1.031 821 K CA 0.475 56.826 56.287 0.107 0.000 1.079 821 K CB -0.149 32.387 32.500 0.060 0.000 0.857 821 K HN 0.223 nan 8.250 nan 0.000 0.535 822 G N -0.140 108.788 108.800 0.214 0.000 2.742 822 G HA2 -0.075 3.891 3.960 0.009 0.000 0.257 822 G HA3 -0.075 3.891 3.960 0.009 0.000 0.257 822 G C 0.032 175.073 174.900 0.235 0.000 1.143 822 G CA -0.020 45.179 45.100 0.165 0.000 1.064 822 G HN 0.384 nan 8.290 nan 0.000 0.529 823 F N -0.187 119.765 119.950 0.003 0.000 2.831 823 F HA 0.294 4.827 4.527 0.010 0.000 0.334 823 F C 2.424 178.283 175.800 0.100 0.000 1.071 823 F CA 0.650 58.670 58.000 0.033 0.000 1.172 823 F CB 0.060 39.060 39.000 0.000 0.000 1.054 823 F HN 0.410 nan 8.300 nan 0.000 0.572 824 G N 0.626 109.601 108.800 0.292 0.000 2.606 824 G HA2 -0.408 3.557 3.960 0.009 0.000 0.223 824 G HA3 -0.408 3.557 3.960 0.009 0.000 0.223 824 G C 1.810 177.003 174.900 0.488 0.000 1.106 824 G CA 1.727 47.067 45.100 0.401 0.000 0.745 824 G HN 0.434 nan 8.290 nan 0.000 0.597 825 S N 0.499 116.392 115.700 0.321 0.000 2.400 825 S HA -0.080 4.395 4.470 0.009 0.000 0.232 825 S C 2.573 177.341 174.600 0.280 0.000 1.025 825 S CA 1.842 60.227 58.200 0.309 0.000 0.993 825 S CB -0.752 62.515 63.200 0.111 0.000 0.808 825 S HN 1.027 nan 8.310 nan 0.000 0.478 826 I N 1.906 122.593 120.570 0.194 0.000 2.315 826 I HA 0.311 4.487 4.170 0.009 0.000 0.248 826 I C 3.313 179.488 176.117 0.096 0.000 1.117 826 I CA 1.783 63.167 61.300 0.141 0.000 1.404 826 I CB -2.120 35.980 38.000 0.167 0.000 1.071 826 I HN 0.637 nan 8.210 nan 0.000 0.419 827 L N -1.337 119.914 121.223 0.048 0.000 2.187 827 L HA -0.080 4.266 4.340 0.009 0.000 0.213 827 L C 2.553 179.187 176.870 -0.393 0.000 1.100 827 L CA 2.714 57.450 54.840 -0.172 0.000 0.765 827 L CB -2.079 39.804 42.059 -0.293 0.000 0.904 827 L HN 0.631 nan 8.230 nan 0.000 0.437 828 F N 0.477 120.441 119.950 0.024 0.000 2.698 828 F HA 0.346 4.879 4.527 0.010 0.000 0.295 828 F C 1.887 177.691 175.800 0.007 0.000 1.124 828 F CA 0.194 58.174 58.000 -0.034 0.000 1.426 828 F CB -0.758 38.196 39.000 -0.077 0.000 1.120 828 F HN 0.239 nan 8.300 nan 0.000 0.583 829 T N 0.598 115.237 114.554 0.141 0.000 2.871 829 T HA 0.282 4.638 4.350 0.009 0.000 0.296 829 T C 1.518 176.267 174.700 0.081 0.000 0.998 829 T CA 0.460 62.618 62.100 0.097 0.000 1.162 829 T CB -0.090 68.820 68.868 0.071 0.000 0.947 829 T HN 0.467 nan 8.240 nan 0.000 0.536 830 E N 2.575 122.823 120.200 0.080 0.000 2.355 830 E HA -0.276 4.079 4.350 0.009 0.000 0.209 830 E C 1.695 178.344 176.600 0.082 0.000 1.050 830 E CA 2.269 58.716 56.400 0.078 0.000 0.843 830 E CB -1.043 28.695 29.700 0.063 0.000 0.742 830 E HN 0.975 nan 8.360 nan 0.000 0.489 831 E N 0.049 120.287 120.200 0.063 0.000 2.265 831 E HA -0.083 4.273 4.350 0.009 0.000 0.196 831 E C 0.861 177.498 176.600 0.062 0.000 0.996 831 E CA 1.081 57.511 56.400 0.050 0.000 0.832 831 E CB 0.172 29.884 29.700 0.020 0.000 0.756 831 E HN 0.545 nan 8.360 nan 0.000 0.491 832 N N -0.809 117.939 118.700 0.081 0.000 2.299 832 N HA 0.029 4.775 4.740 0.009 0.000 0.246 832 N C 1.274 176.909 175.510 0.207 0.000 1.254 832 N CA 0.562 53.694 53.050 0.136 0.000 0.879 832 N CB 0.414 38.908 38.487 0.012 0.000 1.214 832 N HN 0.187 nan 8.380 nan 0.000 0.510 833 Q N 0.640 120.540 119.800 0.167 0.000 2.020 833 Q HA -0.018 4.327 4.340 0.009 0.000 0.202 833 Q C 2.030 178.118 176.000 0.146 0.000 0.982 833 Q CA 1.899 57.780 55.803 0.130 0.000 0.838 833 Q CB -1.080 27.724 28.738 0.111 0.000 0.899 833 Q HN 0.174 nan 8.270 nan 0.000 0.423 834 V N -0.506 119.481 119.914 0.122 0.000 3.186 834 V HA -0.185 3.941 4.120 0.009 0.000 0.270 834 V C 1.663 177.666 176.094 -0.151 0.000 1.149 834 V CA 1.282 63.559 62.300 -0.038 0.000 1.160 834 V CB -0.995 30.740 31.823 -0.146 0.000 0.758 834 V HN 0.759 nan 8.190 nan 0.000 0.516 835 Y N -2.596 117.760 120.300 0.093 0.000 2.462 835 Y HA 0.173 4.729 4.550 0.009 0.000 0.261 835 Y C 1.827 177.819 175.900 0.154 0.000 1.146 835 Y CA -0.240 57.943 58.100 0.139 0.000 1.283 835 Y CB -0.193 38.317 38.460 0.084 0.000 1.090 835 Y HN 0.245 nan 8.280 nan 0.000 0.526 836 F N 1.442 121.409 119.950 0.029 0.000 2.051 836 F HA -0.222 4.311 4.527 0.009 0.000 0.296 836 F C 2.314 178.041 175.800 -0.122 0.000 1.122 836 F CA 1.821 59.750 58.000 -0.119 0.000 1.201 836 F CB -0.579 38.267 39.000 -0.257 0.000 0.978 836 F HN 0.034 nan 8.300 nan 0.000 0.472 837 D N 0.714 121.000 120.400 -0.190 0.000 2.160 837 D HA -0.207 4.438 4.640 0.009 0.000 0.189 837 D C -0.474 175.626 176.300 -0.334 0.000 1.003 837 D CA 2.454 56.266 54.000 -0.313 0.000 0.846 837 D CB -1.539 39.190 40.800 -0.118 0.000 0.949 837 D HN 0.228 nan 8.370 nan 0.000 0.446 838 P HA -0.114 nan 4.420 nan 0.000 0.219 838 P C 2.153 179.290 177.300 -0.272 0.000 1.150 838 P CA 0.678 63.635 63.100 -0.238 0.000 0.814 838 P CB -0.043 31.546 31.700 -0.187 0.000 0.787 839 L N 0.424 121.612 121.223 -0.059 0.000 2.012 839 L HA -0.168 4.177 4.340 0.009 0.000 0.210 839 L C 2.628 179.429 176.870 -0.114 0.000 1.073 839 L CA 1.811 56.718 54.840 0.111 0.000 0.748 839 L CB -1.210 40.979 42.059 0.217 0.000 0.891 839 L HN -0.175 nan 8.230 nan 0.000 0.431 840 I N -0.994 119.307 120.570 -0.447 0.000 2.179 840 I HA -0.283 3.893 4.170 0.009 0.000 0.242 840 I C 2.029 177.992 176.117 -0.257 0.000 1.088 840 I CA 1.470 62.386 61.300 -0.641 0.000 1.357 840 I CB -0.952 36.052 38.000 -1.661 0.000 1.051 840 I HN 0.305 nan 8.210 nan 0.000 0.409 841 N N 1.448 120.025 118.700 -0.205 0.000 2.244 841 N HA -0.140 4.606 4.740 0.009 0.000 0.183 841 N C 2.233 177.665 175.510 -0.131 0.000 1.016 841 N CA 1.679 54.733 53.050 0.006 0.000 0.866 841 N CB -0.531 37.913 38.487 -0.071 0.000 0.980 841 N HN 0.556 nan 8.380 nan 0.000 0.430 842 S N 2.104 117.666 115.700 -0.230 0.000 2.365 842 S HA -0.116 4.360 4.470 0.009 0.000 0.221 842 S C 2.048 176.340 174.600 -0.514 0.000 1.037 842 S CA 1.479 59.462 58.200 -0.362 0.000 1.060 842 S CB -0.722 62.451 63.200 -0.046 0.000 0.974 842 S HN 0.177 nan 8.310 nan 0.000 0.427 843 I N 0.506 121.050 120.570 -0.044 0.000 2.264 843 I HA -0.179 3.996 4.170 0.009 0.000 0.248 843 I C 2.373 178.545 176.117 0.092 0.000 1.111 843 I CA 0.936 62.338 61.300 0.171 0.000 1.382 843 I CB -0.278 37.833 38.000 0.183 0.000 1.060 843 I HN 0.390 nan 8.210 nan 0.000 0.418 844 L N 0.227 121.497 121.223 0.078 0.000 2.291 844 L HA -0.196 4.150 4.340 0.009 0.000 0.214 844 L C 2.448 179.326 176.870 0.014 0.000 1.120 844 L CA 1.879 56.767 54.840 0.079 0.000 0.799 844 L CB -0.854 41.276 42.059 0.118 0.000 0.925 844 L HN 0.228 nan 8.230 nan 0.000 0.446 845 H N -1.061 117.869 119.070 -0.234 0.000 2.372 845 H HA -0.050 4.512 4.556 0.009 0.000 0.301 845 H C 1.830 177.063 175.328 -0.160 0.000 1.065 845 H CA 1.730 57.624 56.048 -0.256 0.000 1.364 845 H CB -0.402 29.123 29.762 -0.395 0.000 1.406 845 H HN 0.403 nan 8.280 nan 0.000 0.521 846 F N -0.126 119.809 119.950 -0.026 0.000 2.333 846 F HA -0.077 4.456 4.527 0.010 0.000 0.300 846 F C 2.585 178.346 175.800 -0.064 0.000 1.083 846 F CA 0.465 58.420 58.000 -0.075 0.000 1.395 846 F CB -0.145 38.873 39.000 0.030 0.000 1.056 846 F HN 0.306 nan 8.300 nan 0.000 0.529 847 A N 0.149 123.035 122.820 0.109 0.000 2.021 847 A HA -0.053 4.272 4.320 0.009 0.000 0.216 847 A C 1.642 179.240 177.584 0.023 0.000 1.163 847 A CA 0.924 53.005 52.037 0.072 0.000 0.676 847 A CB -0.335 18.707 19.000 0.069 0.000 0.818 847 A HN 0.282 nan 8.150 nan 0.000 0.453 848 N N 0.151 118.840 118.700 -0.018 0.000 2.280 848 N HA 0.151 4.897 4.740 0.009 0.000 0.192 848 N C 1.270 176.750 175.510 -0.050 0.000 1.109 848 N CA 0.029 53.068 53.050 -0.018 0.000 0.855 848 N CB -0.013 38.478 38.487 0.008 0.000 0.974 848 N HN 0.421 nan 8.380 nan 0.000 0.482 849 L N 1.045 122.214 121.223 -0.089 0.000 1.924 849 L HA -0.144 4.202 4.340 0.009 0.000 0.222 849 L C 1.810 178.662 176.870 -0.029 0.000 1.081 849 L CA 1.501 56.288 54.840 -0.089 0.000 0.780 849 L CB -1.323 40.700 42.059 -0.060 0.000 0.891 849 L HN 0.077 nan 8.230 nan 0.000 0.434 854 A N -0.801 122.025 122.820 0.011 0.000 2.019 854 A HA 0.280 4.605 4.320 0.009 0.000 0.219 854 A C 2.313 179.901 177.584 0.006 0.000 1.164 854 A CA 3.228 55.269 52.037 0.005 0.000 0.644 854 A CB -1.187 17.811 19.000 -0.003 0.000 0.805 854 A HN 1.057 nan 8.150 nan 0.000 0.449 855 T N -1.280 113.281 114.554 0.013 0.000 3.014 855 T HA -0.024 4.332 4.350 0.009 0.000 0.263 855 T C 1.952 176.691 174.700 0.065 0.000 1.078 855 T CA 1.314 63.432 62.100 0.031 0.000 1.135 855 T CB -0.197 68.697 68.868 0.044 0.000 0.895 855 T HN 0.595 nan 8.240 nan 0.000 0.480 856 Q N -0.160 119.669 119.800 0.050 0.000 2.297 856 Q HA 0.095 4.441 4.340 0.009 0.000 0.203 856 Q C 2.211 178.241 176.000 0.049 0.000 0.931 856 Q CA 0.446 56.281 55.803 0.055 0.000 0.885 856 Q CB 0.173 28.937 28.738 0.043 0.000 0.991 856 Q HN 0.274 nan 8.270 nan 0.000 0.498 857 K N 1.557 121.979 120.400 0.038 0.000 2.076 857 K HA -0.064 4.261 4.320 0.009 0.000 0.204 857 K C 2.053 178.673 176.600 0.034 0.000 1.051 857 K CA 1.777 58.084 56.287 0.033 0.000 0.949 857 K CB 0.030 32.545 32.500 0.025 0.000 0.726 857 K HN 0.208 nan 8.250 nan 0.000 0.443 858 S N -0.725 114.993 115.700 0.031 0.000 2.458 858 S HA 0.066 4.542 4.470 0.009 0.000 0.223 858 S C 2.399 177.027 174.600 0.047 0.000 1.019 858 S CA 0.974 59.191 58.200 0.028 0.000 0.937 858 S CB -0.141 63.065 63.200 0.011 0.000 0.788 858 S HN 0.369 nan 8.310 nan 0.000 0.511 859 S N 2.042 117.783 115.700 0.068 0.000 2.387 859 S HA 0.282 4.758 4.470 0.009 0.000 0.226 859 S C 1.896 176.564 174.600 0.114 0.000 1.026 859 S CA 1.076 59.348 58.200 0.120 0.000 0.972 859 S CB -0.676 62.641 63.200 0.194 0.000 0.814 859 S HN 0.495 nan 8.310 nan 0.000 0.477 860 I N 1.194 121.815 120.570 0.086 0.000 2.394 860 I HA -0.151 4.025 4.170 0.009 0.000 0.251 860 I C 2.894 179.053 176.117 0.070 0.000 1.136 860 I CA 0.792 62.136 61.300 0.072 0.000 1.425 860 I CB -0.183 37.848 38.000 0.051 0.000 1.079 860 I HN 0.397 nan 8.210 nan 0.000 0.425 861 A N 0.695 123.553 122.820 0.062 0.000 1.898 861 A HA -0.185 4.141 4.320 0.009 0.000 0.216 861 A C 2.209 179.840 177.584 0.078 0.000 1.181 861 A CA 1.188 53.258 52.037 0.056 0.000 0.620 861 A CB -0.689 18.334 19.000 0.039 0.000 0.819 861 A HN 0.330 nan 8.150 nan 0.000 0.442 862 L N 0.095 121.371 121.223 0.088 0.000 2.046 862 L HA -0.106 4.240 4.340 0.009 0.000 0.208 862 L C 2.354 179.328 176.870 0.172 0.000 1.077 862 L CA 1.707 56.615 54.840 0.113 0.000 0.747 862 L CB -0.480 41.637 42.059 0.095 0.000 0.896 862 L HN 0.163 nan 8.230 nan 0.000 0.432 863 V N -1.122 118.896 119.914 0.172 0.000 2.568 863 V HA -0.261 3.865 4.120 0.009 0.000 0.253 863 V C 2.437 178.668 176.094 0.228 0.000 1.072 863 V CA 1.757 64.189 62.300 0.221 0.000 1.084 863 V CB -0.669 31.255 31.823 0.168 0.000 0.676 863 V HN 0.489 nan 8.190 nan 0.000 0.469 864 S N -0.800 114.998 115.700 0.163 0.000 2.371 864 S HA -0.150 4.326 4.470 0.009 0.000 0.221 864 S C 2.144 176.842 174.600 0.163 0.000 1.036 864 S CA 1.288 59.572 58.200 0.141 0.000 0.965 864 S CB -0.157 63.088 63.200 0.074 0.000 0.845 864 S HN 0.519 nan 8.310 nan 0.000 0.475 865 K N 1.667 122.151 120.400 0.141 0.000 2.147 865 K HA 0.107 4.432 4.320 0.009 0.000 0.205 865 K C 1.982 178.685 176.600 0.172 0.000 1.049 865 K CA 0.974 57.324 56.287 0.105 0.000 0.936 865 K CB -0.782 31.761 32.500 0.070 0.000 0.722 865 K HN 0.519 nan 8.250 nan 0.000 0.446 866 M N -0.145 119.668 119.600 0.354 0.000 2.358 866 M HA -0.085 4.401 4.480 0.009 0.000 0.264 866 M C 2.069 178.933 176.300 0.940 0.000 1.064 866 M CA 1.311 57.043 55.300 0.719 0.000 1.093 866 M CB -0.151 32.921 32.600 0.786 0.000 1.401 866 M HN 0.101 nan 8.290 nan 0.000 0.440 867 V N -0.320 119.975 119.914 0.633 0.000 2.446 867 V HA -0.167 3.958 4.120 0.009 0.000 0.244 867 V C 2.470 178.748 176.094 0.307 0.000 1.039 867 V CA 1.930 64.626 62.300 0.659 0.000 1.045 867 V CB -0.559 31.516 31.823 0.420 0.000 0.681 867 V HN 0.566 nan 8.190 nan 0.000 0.459 868 S N 0.913 116.700 115.700 0.146 0.000 2.399 868 S HA -0.130 4.346 4.470 0.009 0.000 0.231 868 S C 2.041 176.570 174.600 -0.118 0.000 1.022 868 S CA 1.820 60.028 58.200 0.013 0.000 0.983 868 S CB -0.707 62.489 63.200 -0.007 0.000 0.803 868 S HN 0.605 nan 8.310 nan 0.000 0.480 869 L N -1.308 119.765 121.223 -0.250 0.000 2.341 869 L HA 0.412 4.757 4.340 0.009 0.000 0.214 869 L C 1.597 177.982 176.870 -0.807 0.000 1.115 869 L CA 0.534 55.006 54.840 -0.613 0.000 0.820 869 L CB -1.248 40.210 42.059 -1.001 0.000 0.944 869 L HN 0.694 nan 8.230 nan 0.000 0.452 870 W N 0.170 121.291 121.300 -0.299 0.000 1.950 870 W HA 0.597 5.263 4.660 0.009 0.000 0.289 870 W C 0.916 177.156 176.519 -0.464 0.000 0.883 870 W CA -0.547 56.420 57.345 -0.629 0.000 2.031 870 W CB 0.470 29.057 29.460 -1.454 0.000 2.266 870 W HN 0.267 nan 8.180 nan 0.000 0.400 871 G N 0.384 109.133 108.800 -0.085 0.000 3.181 871 G HA2 0.312 4.277 3.960 0.009 0.000 0.219 871 G HA3 0.312 4.277 3.960 0.009 0.000 0.219 871 G C 0.477 175.403 174.900 0.043 0.000 1.182 871 G CA 0.064 45.177 45.100 0.021 0.000 0.791 871 G HN 0.282 nan 8.290 nan 0.000 0.537 872 G N -1.911 106.906 108.800 0.028 0.000 2.701 872 G HA2 0.478 4.444 3.960 0.009 0.000 0.300 872 G HA3 0.478 4.444 3.960 0.009 0.000 0.300 872 G C 0.469 175.407 174.900 0.062 0.000 1.410 872 G CA 0.261 45.387 45.100 0.043 0.000 1.014 872 G HN 0.294 nan 8.290 nan 0.000 0.509 873 K N -0.448 120.003 120.400 0.085 0.000 2.589 873 K HA 0.205 4.531 4.320 0.009 0.000 0.195 873 K C 1.074 177.708 176.600 0.057 0.000 1.042 873 K CA 1.614 57.959 56.287 0.097 0.000 0.940 873 K CB -1.444 31.110 32.500 0.090 0.000 0.776 873 K HN 1.246 nan 8.250 nan 0.000 0.487 874 D N 0.078 120.493 120.400 0.025 0.000 2.422 874 D HA 0.422 5.068 4.640 0.009 0.000 0.263 874 D C 1.482 177.765 176.300 -0.029 0.000 1.334 874 D CA 0.652 54.650 54.000 -0.004 0.000 1.105 874 D CB -1.242 39.547 40.800 -0.019 0.000 1.107 874 D HN 1.091 nan 8.370 nan 0.000 0.522 875 G N -0.224 108.566 108.800 -0.017 0.000 2.399 875 G HA2 0.089 4.055 3.960 0.009 0.000 0.216 875 G HA3 0.089 4.055 3.960 0.009 0.000 0.216 875 G C 1.141 176.025 174.900 -0.027 0.000 1.096 875 G CA 0.161 45.233 45.100 -0.046 0.000 0.650 875 G HN 1.927 nan 8.290 nan 0.000 0.512 876 I N 1.603 122.168 120.570 -0.007 0.000 2.329 876 I HA 0.815 4.991 4.170 0.009 0.000 0.295 876 I C 1.554 177.775 176.117 0.175 0.000 1.109 876 I CA 0.781 62.130 61.300 0.083 0.000 1.297 876 I CB -0.065 38.002 38.000 0.113 0.000 1.433 876 I HN 1.579 nan 8.210 nan 0.000 0.509 877 A N 3.893 126.807 122.820 0.156 0.000 2.259 877 A HA 0.525 4.850 4.320 0.009 0.000 0.208 877 A C 1.595 179.280 177.584 0.168 0.000 1.201 877 A CA 0.811 52.934 52.037 0.143 0.000 0.824 877 A CB -0.344 18.717 19.000 0.103 0.000 0.838 877 A HN 1.908 nan 8.150 nan 0.000 0.485 878 G N -2.659 106.284 108.800 0.238 0.000 5.302 878 G HA2 0.357 4.323 3.960 0.009 0.000 0.223 878 G HA3 0.357 4.323 3.960 0.009 0.000 0.223 878 G C -0.021 175.021 174.900 0.238 0.000 0.832 878 G CA 0.027 45.245 45.100 0.196 0.000 0.714 878 G HN 0.231 nan 8.290 nan 0.000 0.444 879 F N 0.390 120.463 119.950 0.205 0.000 2.724 879 F HA 0.331 4.863 4.527 0.009 0.000 0.306 879 F C 1.999 177.953 175.800 0.256 0.000 1.100 879 F CA 1.213 59.372 58.000 0.264 0.000 1.255 879 F CB 0.624 39.788 39.000 0.273 0.000 1.072 879 F HN 0.228 nan 8.300 nan 0.000 0.589 880 E N 0.379 120.747 120.200 0.280 0.000 2.038 880 E HA -0.085 4.271 4.350 0.009 0.000 0.190 880 E C 1.682 178.348 176.600 0.110 0.000 0.967 880 E CA 1.325 57.843 56.400 0.197 0.000 0.816 880 E CB -0.977 28.821 29.700 0.164 0.000 0.784 880 E HN 0.324 nan 8.360 nan 0.000 0.456 881 N N -0.387 118.372 118.700 0.100 0.000 2.272 881 N HA -0.084 4.662 4.740 0.009 0.000 0.185 881 N C 1.572 177.093 175.510 0.017 0.000 1.014 881 N CA 1.415 54.497 53.050 0.054 0.000 0.870 881 N CB -0.295 38.228 38.487 0.061 0.000 0.975 881 N HN 0.450 nan 8.380 nan 0.000 0.433 882 F N 1.875 121.759 119.950 -0.109 0.000 2.187 882 F HA -0.026 4.507 4.527 0.009 0.000 0.295 882 F C 2.311 177.993 175.800 -0.197 0.000 1.091 882 F CA 1.016 58.896 58.000 -0.200 0.000 1.308 882 F CB -0.512 38.269 39.000 -0.364 0.000 1.030 882 F HN -0.112 nan 8.300 nan 0.000 0.487 883 T N 1.612 116.087 114.554 -0.133 0.000 2.708 883 T HA -0.162 4.194 4.350 0.009 0.000 0.266 883 T C 2.155 176.799 174.700 -0.094 0.000 1.037 883 T CA 1.857 63.896 62.100 -0.101 0.000 1.146 883 T CB -0.530 68.394 68.868 0.093 0.000 0.865 883 T HN 0.207 nan 8.240 nan 0.000 0.435 884 L N 1.040 122.238 121.223 -0.042 0.000 2.141 884 L HA -0.030 4.315 4.340 0.009 0.000 0.209 884 L C 3.172 179.999 176.870 -0.072 0.000 1.094 884 L CA 1.346 56.174 54.840 -0.020 0.000 0.763 884 L CB -0.863 41.202 42.059 0.010 0.000 0.908 884 L HN 0.318 nan 8.230 nan 0.000 0.437 885 S N 0.472 116.077 115.700 -0.159 0.000 2.474 885 S HA -0.009 4.466 4.470 0.009 0.000 0.235 885 S C 1.962 176.419 174.600 -0.239 0.000 0.997 885 S CA 0.882 58.966 58.200 -0.194 0.000 0.949 885 S CB -0.458 62.593 63.200 -0.248 0.000 0.766 885 S HN 0.327 nan 8.310 nan 0.000 0.517 886 L N 0.865 121.913 121.223 -0.291 0.000 2.552 886 L HA -0.029 4.316 4.340 0.009 0.000 0.227 886 L C 2.442 179.285 176.870 -0.045 0.000 1.146 886 L CA 0.591 55.294 54.840 -0.229 0.000 0.858 886 L CB -0.771 41.140 42.059 -0.246 0.000 0.969 886 L HN 0.247 nan 8.230 nan 0.000 0.451 887 T N 1.081 115.652 114.554 0.028 0.000 2.614 887 T HA -0.087 4.269 4.350 0.009 0.000 0.263 887 T C -0.338 174.519 174.700 0.262 0.000 1.055 887 T CA 1.604 63.827 62.100 0.204 0.000 1.162 887 T CB -1.089 67.882 68.868 0.170 0.000 0.863 887 T HN 0.282 nan 8.240 nan 0.000 0.414 888 P HA -0.109 nan 4.420 nan 0.000 0.218 888 P C 1.713 179.080 177.300 0.113 0.000 1.146 888 P CA 0.973 64.145 63.100 0.120 0.000 0.820 888 P CB -0.179 31.545 31.700 0.039 0.000 0.778 889 L N 0.430 121.691 121.223 0.063 0.000 2.005 889 L HA -0.081 4.264 4.340 0.009 0.000 0.207 889 L C 2.289 179.189 176.870 0.050 0.000 1.072 889 L CA 1.940 56.801 54.840 0.035 0.000 0.744 889 L CB -1.474 40.578 42.059 -0.011 0.000 0.895 889 L HN -0.065 nan 8.230 nan 0.000 0.433 890 C N -0.612 118.708 119.300 0.034 0.000 2.449 890 C HA 0.009 4.475 4.460 0.009 0.000 0.283 890 C C 1.914 176.733 174.990 -0.285 0.000 1.453 890 C CA 0.578 59.541 59.018 -0.092 0.000 1.779 890 C CB -1.704 25.905 27.740 -0.219 0.000 1.779 890 C HN 0.626 nan 8.230 nan 0.000 0.546 891 F N -0.609 119.409 119.950 0.113 0.000 2.871 891 F HA 0.173 4.706 4.527 0.010 0.000 0.344 891 F C 1.894 177.695 175.800 0.002 0.000 1.078 891 F CA 0.040 58.072 58.000 0.053 0.000 1.149 891 F CB -0.024 38.985 39.000 0.015 0.000 1.087 891 F HN 0.127 nan 8.300 nan 0.000 0.557 892 E N -0.192 120.102 120.200 0.158 0.000 2.441 892 E HA 0.061 4.417 4.350 0.009 0.000 0.212 892 E C 1.932 178.558 176.600 0.043 0.000 0.840 892 E CA 0.140 56.589 56.400 0.081 0.000 1.143 892 E CB 0.224 29.965 29.700 0.067 0.000 1.153 892 E HN 0.298 nan 8.360 nan 0.000 0.539 893 M N 2.971 122.598 119.600 0.045 0.000 2.180 893 M HA -0.076 4.410 4.480 0.009 0.000 0.260 893 M C -1.006 175.303 176.300 0.016 0.000 1.071 893 M CA 1.913 57.230 55.300 0.028 0.000 1.096 893 M CB -0.947 31.672 32.600 0.033 0.000 1.276 893 M HN -0.138 nan 8.290 nan 0.000 0.426 894 P HA -0.061 nan 4.420 nan 0.000 0.261 894 P C 1.140 178.426 177.300 -0.023 0.000 1.288 894 P CA 0.634 63.730 63.100 -0.006 0.000 0.751 894 P CB -0.350 31.342 31.700 -0.013 0.000 1.103 895 V N 0.025 119.930 119.914 -0.016 0.000 2.256 895 V HA -0.150 3.975 4.120 0.009 0.000 0.240 895 V C 1.998 178.078 176.094 -0.023 0.000 1.036 895 V CA 1.856 64.140 62.300 -0.026 0.000 1.008 895 V CB -1.885 29.928 31.823 -0.018 0.000 0.648 895 V HN 0.295 nan 8.190 nan 0.000 0.453 906 S N 0.103 115.816 115.700 0.022 0.000 2.503 906 S HA 0.622 5.097 4.470 0.009 0.000 0.217 906 S C 2.194 176.819 174.600 0.042 0.000 0.999 906 S CA 1.725 59.941 58.200 0.027 0.000 0.914 906 S CB -0.340 62.870 63.200 0.017 0.000 0.782 906 S HN 1.607 nan 8.310 nan 0.000 0.520 907 L N 0.550 121.797 121.223 0.040 0.000 2.127 907 L HA 0.568 4.913 4.340 0.009 0.000 0.203 907 L C 2.921 179.826 176.870 0.059 0.000 1.080 907 L CA 1.722 56.595 54.840 0.055 0.000 0.768 907 L CB -1.834 40.251 42.059 0.043 0.000 0.924 907 L HN 0.533 nan 8.230 nan 0.000 0.444 908 V N -0.468 119.472 119.914 0.044 0.000 2.407 908 V HA 0.011 4.136 4.120 0.009 0.000 0.248 908 V C 2.808 178.930 176.094 0.046 0.000 1.055 908 V CA 3.413 65.736 62.300 0.039 0.000 1.049 908 V CB -1.129 30.711 31.823 0.029 0.000 0.662 908 V HN 0.740 nan 8.190 nan 0.000 0.455 909 V N -0.437 119.507 119.914 0.050 0.000 2.295 909 V HA -0.019 4.107 4.120 0.009 0.000 0.246 909 V C 2.769 178.913 176.094 0.084 0.000 1.049 909 V CA 4.012 66.346 62.300 0.056 0.000 1.024 909 V CB -0.819 31.033 31.823 0.049 0.000 0.648 909 V HN 0.898 nan 8.190 nan 0.000 0.447 910 L N -0.157 121.135 121.223 0.115 0.000 2.131 910 L HA 0.344 4.690 4.340 0.009 0.000 0.206 910 L C 2.746 179.732 176.870 0.193 0.000 1.087 910 L CA 2.393 57.366 54.840 0.222 0.000 0.767 910 L CB -1.932 40.266 42.059 0.231 0.000 0.917 910 L HN 0.572 nan 8.230 nan 0.000 0.441 911 G N -0.516 108.354 108.800 0.117 0.000 2.440 911 G HA2 -0.255 3.710 3.960 0.009 0.000 0.218 911 G HA3 -0.255 3.710 3.960 0.009 0.000 0.218 911 G C 1.493 176.396 174.900 0.005 0.000 1.154 911 G CA 0.860 46.001 45.100 0.068 0.000 0.767 911 G HN 0.717 nan 8.290 nan 0.000 0.552 912 E N -0.450 119.757 120.200 0.011 0.000 2.371 912 E HA 0.080 4.436 4.350 0.009 0.000 0.194 912 E C 2.234 178.809 176.600 -0.043 0.000 1.012 912 E CA -0.177 56.217 56.400 -0.010 0.000 0.860 912 E CB 0.045 29.754 29.700 0.014 0.000 0.811 912 E HN 0.325 nan 8.360 nan 0.000 0.502 913 L N 0.911 122.111 121.223 -0.038 0.000 2.141 913 L HA -0.058 4.287 4.340 0.009 0.000 0.209 913 L C 2.149 178.836 176.870 -0.305 0.000 1.094 913 L CA 1.493 56.296 54.840 -0.062 0.000 0.763 913 L CB -0.312 41.808 42.059 0.102 0.000 0.908 913 L HN 0.021 nan 8.230 nan 0.000 0.437 914 A N -0.798 121.685 122.820 -0.563 0.000 1.897 914 A HA 0.023 4.349 4.320 0.009 0.000 0.215 914 A C 2.351 179.769 177.584 -0.277 0.000 1.181 914 A CA 1.162 52.747 52.037 -0.753 0.000 0.620 914 A CB -1.484 17.129 19.000 -0.645 0.000 0.821 914 A HN 0.463 nan 8.150 nan 0.000 0.443 915 G N 0.102 108.802 108.800 -0.166 0.000 2.505 915 G HA2 -0.259 3.707 3.960 0.009 0.000 0.220 915 G HA3 -0.259 3.707 3.960 0.009 0.000 0.220 915 G C 1.500 176.331 174.900 -0.114 0.000 1.145 915 G CA 1.405 46.436 45.100 -0.115 0.000 0.761 915 G HN 0.475 nan 8.290 nan 0.000 0.571 916 L N 0.823 121.992 121.223 -0.090 0.000 2.046 916 L HA 0.021 4.367 4.340 0.009 0.000 0.208 916 L C 3.379 180.215 176.870 -0.057 0.000 1.077 916 L CA 2.850 57.666 54.840 -0.041 0.000 0.747 916 L CB -1.036 41.011 42.059 -0.021 0.000 0.896 916 L HN 0.396 nan 8.230 nan 0.000 0.432 917 Q N -0.233 119.505 119.800 -0.102 0.000 2.030 917 Q HA -0.259 4.087 4.340 0.009 0.000 0.204 917 Q C 2.476 178.360 176.000 -0.193 0.000 0.986 917 Q CA 3.237 59.013 55.803 -0.045 0.000 0.843 917 Q CB -1.469 27.311 28.738 0.070 0.000 0.904 917 Q HN 0.647 nan 8.270 nan 0.000 0.420 918 K N 0.671 120.826 120.400 -0.409 0.000 2.009 918 K HA -0.024 4.302 4.320 0.009 0.000 0.210 918 K C 2.251 178.721 176.600 -0.216 0.000 1.049 918 K CA 1.618 57.626 56.287 -0.466 0.000 0.929 918 K CB -0.992 31.220 32.500 -0.481 0.000 0.714 918 K HN 0.689 nan 8.250 nan 0.000 0.440 919 I N 0.363 120.859 120.570 -0.122 0.000 2.208 919 I HA -0.244 3.932 4.170 0.009 0.000 0.245 919 I C 2.598 178.716 176.117 0.001 0.000 1.097 919 I CA 1.498 62.773 61.300 -0.042 0.000 1.363 919 I CB -0.362 37.643 38.000 0.008 0.000 1.051 919 I HN 0.265 nan 8.210 nan 0.000 0.413 920 I N 0.683 121.264 120.570 0.019 0.000 2.163 920 I HA -0.317 3.859 4.170 0.009 0.000 0.243 920 I C 2.369 178.507 176.117 0.035 0.000 1.085 920 I CA 1.565 62.903 61.300 0.064 0.000 1.347 920 I CB -0.383 37.664 38.000 0.078 0.000 1.044 920 I HN 0.208 nan 8.210 nan 0.000 0.408 921 L N 0.601 121.814 121.223 -0.017 0.000 2.447 921 L HA -0.163 4.183 4.340 0.009 0.000 0.225 921 L C 1.366 178.210 176.870 -0.044 0.000 1.148 921 L CA 0.671 55.486 54.840 -0.041 0.000 0.808 921 L CB -0.895 41.077 42.059 -0.145 0.000 0.928 921 L HN 0.470 nan 8.230 nan 0.000 0.448 931 Y N 0.911 121.235 120.300 0.040 0.000 2.384 931 Y HA 0.321 4.877 4.550 0.009 0.000 0.289 931 Y C 3.218 179.123 175.900 0.008 0.000 1.152 931 Y CA 2.890 61.006 58.100 0.027 0.000 1.258 931 Y CB -1.813 36.668 38.460 0.034 0.000 0.979 931 Y HN 1.533 nan 8.280 nan 0.000 0.549 932 L N -0.779 120.449 121.223 0.009 0.000 2.109 932 L HA -0.009 4.337 4.340 0.009 0.000 0.207 932 L C 2.676 179.518 176.870 -0.046 0.000 1.086 932 L CA 2.038 56.853 54.840 -0.042 0.000 0.760 932 L CB -1.441 40.586 42.059 -0.053 0.000 0.910 932 L HN 0.461 nan 8.230 nan 0.000 0.437 933 V N -0.075 119.834 119.914 -0.008 0.000 2.261 933 V HA -0.291 3.835 4.120 0.009 0.000 0.246 933 V C 2.907 178.995 176.094 -0.009 0.000 1.047 933 V CA 2.658 64.955 62.300 -0.004 0.000 1.015 933 V CB -0.879 30.954 31.823 0.016 0.000 0.642 933 V HN 0.743 nan 8.190 nan 0.000 0.446 934 T N -0.110 114.442 114.554 -0.003 0.000 2.701 934 T HA -0.127 4.228 4.350 0.009 0.000 0.263 934 T C 1.806 176.500 174.700 -0.011 0.000 1.040 934 T CA 1.858 63.956 62.100 -0.003 0.000 1.147 934 T CB -0.210 68.660 68.868 0.003 0.000 0.865 934 T HN 0.301 nan 8.240 nan 0.000 0.426 935 V N -0.067 119.838 119.914 -0.015 0.000 2.492 935 V HA 0.069 4.194 4.120 0.009 0.000 0.241 935 V C 2.714 178.785 176.094 -0.038 0.000 1.041 935 V CA 1.786 64.073 62.300 -0.020 0.000 1.057 935 V CB -1.513 30.303 31.823 -0.011 0.000 0.711 935 V HN 0.678 nan 8.190 nan 0.000 0.468 936 Y N -0.871 119.393 120.300 -0.060 0.000 2.114 936 Y HA -0.078 4.477 4.550 0.009 0.000 0.284 936 Y C 2.755 178.589 175.900 -0.111 0.000 1.119 936 Y CA 2.357 60.398 58.100 -0.098 0.000 1.108 936 Y CB -1.383 36.981 38.460 -0.159 0.000 0.995 936 Y HN 0.297 nan 8.280 nan 0.000 0.491 937 F N 1.598 121.475 119.950 -0.121 0.000 2.087 937 F HA -0.209 4.323 4.527 0.009 0.000 0.299 937 F C 0.902 176.665 175.800 -0.061 0.000 1.100 937 F CA 2.379 60.320 58.000 -0.098 0.000 1.226 937 F CB -2.716 36.242 39.000 -0.070 0.000 0.983 937 F HN 0.396 nan 8.300 nan 0.000 0.479 938 P HA -0.170 nan 4.420 nan 0.000 0.215 938 P C 1.503 178.784 177.300 -0.032 0.000 1.153 938 P CA 2.359 65.441 63.100 -0.031 0.000 0.853 938 P CB -0.645 31.041 31.700 -0.023 0.000 0.788 939 T N 0.399 114.930 114.554 -0.038 0.000 2.701 939 T HA 0.017 4.372 4.350 0.009 0.000 0.263 939 T C 1.470 176.149 174.700 -0.035 0.000 1.040 939 T CA 1.284 63.365 62.100 -0.033 0.000 1.147 939 T CB -1.088 67.760 68.868 -0.033 0.000 0.865 939 T HN 0.038 nan 8.240 nan 0.000 0.426 940 V N 3.110 122.995 119.914 -0.048 0.000 3.003 940 V HA 0.407 4.533 4.120 0.009 0.000 0.305 940 V C 0.397 176.466 176.094 -0.041 0.000 1.078 940 V CA -1.177 61.096 62.300 -0.046 0.000 1.083 940 V CB -0.210 31.576 31.823 -0.062 0.000 1.039 940 V HN 0.587 nan 8.190 nan 0.000 0.481 941 N N 1.604 120.283 118.700 -0.035 0.000 2.365 941 N HA 0.308 5.053 4.740 0.009 0.000 0.265 941 N C -0.587 174.903 175.510 -0.033 0.000 1.288 941 N CA 0.764 53.795 53.050 -0.031 0.000 0.869 941 N CB -0.262 38.208 38.487 -0.029 0.000 1.071 941 N HN 1.190 nan 8.380 nan 0.000 0.480 942 F N 1.033 120.967 119.950 -0.025 0.000 2.494 942 F HA 0.370 4.902 4.527 0.009 0.000 0.369 942 F C -1.449 174.346 175.800 -0.008 0.000 1.098 942 F CA -1.954 56.034 58.000 -0.020 0.000 1.154 942 F CB -0.186 38.805 39.000 -0.014 0.000 1.103 942 F HN 0.709 nan 8.300 nan 0.000 0.549 943 P HA 0.425 nan 4.420 nan 0.000 0.247 943 P C 0.381 177.711 177.300 0.050 0.000 1.683 943 P CA 0.622 63.733 63.100 0.018 0.000 1.143 943 P CB 0.506 32.211 31.700 0.008 0.000 1.577 944 D N 2.007 122.431 120.400 0.041 0.000 2.133 944 D HA -0.167 4.478 4.640 0.009 0.000 0.195 944 D C 1.704 178.052 176.300 0.080 0.000 0.997 944 D CA 1.951 55.982 54.000 0.051 0.000 0.840 944 D CB -0.443 40.378 40.800 0.036 0.000 0.947 944 D HN 0.150 nan 8.370 nan 0.000 0.452 945 V N 0.331 120.294 119.914 0.082 0.000 2.295 945 V HA -0.208 3.917 4.120 0.009 0.000 0.246 945 V C 2.768 178.975 176.094 0.187 0.000 1.049 945 V CA 1.834 64.199 62.300 0.108 0.000 1.024 945 V CB -0.352 31.522 31.823 0.085 0.000 0.648 945 V HN 0.511 nan 8.190 nan 0.000 0.447 946 M N -0.252 119.481 119.600 0.222 0.000 2.319 946 M HA 0.024 4.510 4.480 0.009 0.000 0.265 946 M C 2.332 178.931 176.300 0.499 0.000 1.068 946 M CA 1.712 57.281 55.300 0.449 0.000 1.118 946 M CB -1.291 31.492 32.600 0.305 0.000 1.395 946 M HN 0.407 nan 8.290 nan 0.000 0.435 947 A N 0.592 123.580 122.820 0.280 0.000 2.015 947 A HA -0.089 4.236 4.320 0.009 0.000 0.219 947 A C 2.360 180.057 177.584 0.188 0.000 1.163 947 A CA 1.987 54.150 52.037 0.210 0.000 0.646 947 A CB -0.586 18.475 19.000 0.101 0.000 0.806 947 A HN 0.585 nan 8.150 nan 0.000 0.448 948 S N -0.653 115.140 115.700 0.156 0.000 2.486 948 S HA 0.036 4.512 4.470 0.009 0.000 0.220 948 S C 1.360 175.995 174.600 0.059 0.000 1.011 948 S CA 0.656 58.913 58.200 0.095 0.000 0.921 948 S CB -0.167 63.075 63.200 0.070 0.000 0.785 948 S HN 0.660 nan 8.310 nan 0.000 0.517 949 E N 0.037 120.313 120.200 0.128 0.000 2.285 949 E HA -0.026 4.330 4.350 0.009 0.000 0.194 949 E C 1.465 177.826 176.600 -0.398 0.000 0.997 949 E CA 0.675 57.105 56.400 0.050 0.000 0.845 949 E CB -0.213 29.719 29.700 0.387 0.000 0.782 949 E HN 0.710 nan 8.360 nan 0.000 0.491 950 Y N 1.369 121.515 120.300 -0.257 0.000 2.220 950 Y HA -0.088 4.467 4.550 0.009 0.000 0.291 950 Y C 1.874 177.599 175.900 -0.291 0.000 1.129 950 Y CA 1.157 58.993 58.100 -0.439 0.000 1.161 950 Y CB 0.021 38.451 38.460 -0.050 0.000 0.997 950 Y HN -0.085 nan 8.280 nan 0.000 0.522 951 L N -0.154 121.038 121.223 -0.052 0.000 2.201 951 L HA -0.197 4.148 4.340 0.009 0.000 0.212 951 L C 2.875 179.641 176.870 -0.173 0.000 1.105 951 L CA 1.295 56.104 54.840 -0.051 0.000 0.775 951 L CB -1.231 40.858 42.059 0.049 0.000 0.913 951 L HN 0.393 nan 8.230 nan 0.000 0.440 952 Q N 0.260 119.915 119.800 -0.242 0.000 2.119 952 Q HA -0.080 4.265 4.340 0.009 0.000 0.201 952 Q C 2.409 178.225 176.000 -0.306 0.000 0.972 952 Q CA 1.594 57.263 55.803 -0.223 0.000 0.847 952 Q CB -0.811 27.814 28.738 -0.189 0.000 0.903 952 Q HN 0.589 nan 8.270 nan 0.000 0.433 953 A N 0.472 122.930 122.820 -0.603 0.000 1.873 953 A HA 0.231 4.557 4.320 0.009 0.000 0.215 953 A C 2.690 180.267 177.584 -0.012 0.000 1.186 953 A CA 2.697 54.399 52.037 -0.558 0.000 0.616 953 A CB -1.001 17.108 19.000 -1.486 0.000 0.823 953 A HN 1.339 nan 8.150 nan 0.000 0.442 954 L N -1.337 119.849 121.223 -0.062 0.000 2.056 954 L HA -0.044 4.302 4.340 0.009 0.000 0.207 954 L C 2.769 179.561 176.870 -0.130 0.000 1.078 954 L CA 2.952 57.709 54.840 -0.138 0.000 0.749 954 L CB -1.832 40.097 42.059 -0.217 0.000 0.901 954 L HN 0.464 nan 8.230 nan 0.000 0.433 955 S N -0.100 115.536 115.700 -0.106 0.000 2.348 955 S HA -0.032 4.443 4.470 0.009 0.000 0.219 955 S C 2.191 176.754 174.600 -0.061 0.000 1.033 955 S CA 1.466 59.620 58.200 -0.076 0.000 0.974 955 S CB -0.616 62.546 63.200 -0.063 0.000 0.868 955 S HN 0.972 nan 8.310 nan 0.000 0.459 956 N N 0.418 119.079 118.700 -0.064 0.000 2.254 956 N HA 0.443 5.189 4.740 0.009 0.000 0.190 956 N C 0.601 176.096 175.510 -0.026 0.000 1.107 956 N CA 0.046 53.070 53.050 -0.044 0.000 0.869 956 N CB -0.088 38.372 38.487 -0.045 0.000 0.983 956 N HN 0.210 nan 8.380 nan 0.000 0.487 960 R N 1.008 121.543 120.500 0.058 0.000 2.136 960 R HA 0.022 4.368 4.340 0.009 0.000 0.242 960 R C 2.841 179.194 176.300 0.088 0.000 1.131 960 R CA 3.402 59.541 56.100 0.065 0.000 0.937 960 R CB -2.095 28.231 30.300 0.044 0.000 0.863 960 R HN 1.629 nan 8.270 nan 0.000 0.435 961 S N -0.309 115.442 115.700 0.085 0.000 2.370 961 S HA -0.072 4.403 4.470 0.009 0.000 0.226 961 S C 2.057 176.733 174.600 0.128 0.000 1.033 961 S CA 1.715 59.969 58.200 0.090 0.000 1.011 961 S CB -0.475 62.765 63.200 0.067 0.000 0.852 961 S HN 0.657 nan 8.310 nan 0.000 0.457 962 F N 2.604 122.564 119.950 0.018 0.000 2.216 962 F HA -0.059 4.474 4.527 0.009 0.000 0.300 962 F C 2.708 178.586 175.800 0.131 0.000 1.085 962 F CA 2.153 60.172 58.000 0.032 0.000 1.326 962 F CB -0.456 38.510 39.000 -0.058 0.000 1.027 962 F HN 0.309 nan 8.300 nan 0.000 0.497 963 K N 0.316 120.833 120.400 0.194 0.000 2.026 963 K HA -0.168 4.158 4.320 0.009 0.000 0.208 963 K C 2.127 178.791 176.600 0.107 0.000 1.048 963 K CA 2.230 58.605 56.287 0.147 0.000 0.929 963 K CB -1.829 30.747 32.500 0.125 0.000 0.713 963 K HN 0.520 nan 8.250 nan 0.000 0.439 964 Q N -0.085 119.766 119.800 0.083 0.000 2.014 964 Q HA -0.117 4.229 4.340 0.009 0.000 0.207 964 Q C 2.188 178.212 176.000 0.040 0.000 0.993 964 Q CA 2.256 58.097 55.803 0.063 0.000 0.850 964 Q CB -1.149 27.627 28.738 0.063 0.000 0.916 964 Q HN 0.838 nan 8.270 nan 0.000 0.417 965 F N 0.100 119.990 119.950 -0.100 0.000 2.043 965 F HA -0.216 4.317 4.527 0.010 0.000 0.297 965 F C 2.131 177.882 175.800 -0.081 0.000 1.118 965 F CA 2.422 60.338 58.000 -0.140 0.000 1.202 965 F CB -0.675 38.132 39.000 -0.321 0.000 0.965 965 F HN 0.324 nan 8.300 nan 0.000 0.482 966 F N 1.332 121.074 119.950 -0.346 0.000 2.091 966 F HA -0.267 4.265 4.527 0.009 0.000 0.299 966 F C 2.726 178.465 175.800 -0.103 0.000 1.103 966 F CA 3.105 60.956 58.000 -0.249 0.000 1.228 966 F CB -1.296 37.578 39.000 -0.210 0.000 0.984 966 F HN 0.233 nan 8.300 nan 0.000 0.477 967 Q N 0.275 120.095 119.800 0.033 0.000 2.046 967 Q HA -0.112 4.234 4.340 0.009 0.000 0.200 967 Q C 2.345 178.273 176.000 -0.120 0.000 0.975 967 Q CA 2.538 58.327 55.803 -0.023 0.000 0.836 967 Q CB -1.488 27.279 28.738 0.048 0.000 0.896 967 Q HN 0.543 nan 8.270 nan 0.000 0.428 968 K N -0.102 120.225 120.400 -0.122 0.000 2.097 968 K HA -0.019 4.307 4.320 0.009 0.000 0.206 968 K C 1.956 178.439 176.600 -0.195 0.000 1.049 968 K CA 1.509 57.716 56.287 -0.133 0.000 0.933 968 K CB -1.038 31.399 32.500 -0.104 0.000 0.717 968 K HN 0.611 nan 8.250 nan 0.000 0.442 969 F N 0.800 120.435 119.950 -0.526 0.000 2.046 969 F HA -0.120 4.412 4.527 0.009 0.000 0.297 969 F C 2.126 177.692 175.800 -0.390 0.000 1.123 969 F CA 1.800 59.435 58.000 -0.609 0.000 1.199 969 F CB -0.327 38.047 39.000 -1.043 0.000 0.972 969 F HN 0.207 nan 8.300 nan 0.000 0.474 970 I N 0.038 120.368 120.570 -0.399 0.000 2.202 970 I HA -0.327 3.849 4.170 0.009 0.000 0.242 970 I C 2.269 178.206 176.117 -0.300 0.000 1.091 970 I CA 1.497 62.551 61.300 -0.409 0.000 1.368 970 I CB -0.445 37.319 38.000 -0.393 0.000 1.058 970 I HN 0.299 nan 8.210 nan 0.000 0.410 971 Q N 0.620 120.285 119.800 -0.226 0.000 2.197 971 Q HA -0.234 4.112 4.340 0.009 0.000 0.207 971 Q C 2.243 178.137 176.000 -0.176 0.000 0.984 971 Q CA 1.802 57.509 55.803 -0.160 0.000 0.869 971 Q CB -0.319 28.349 28.738 -0.118 0.000 0.906 971 Q HN 0.699 nan 8.270 nan 0.000 0.426 972 A N 0.721 123.402 122.820 -0.231 0.000 1.854 972 A HA -0.132 4.194 4.320 0.009 0.000 0.214 972 A C 2.031 179.453 177.584 -0.270 0.000 1.192 972 A CA 0.888 52.788 52.037 -0.229 0.000 0.611 972 A CB -0.699 18.153 19.000 -0.246 0.000 0.832 972 A HN 0.316 nan 8.150 nan 0.000 0.442 973 L N 0.076 121.049 121.223 -0.417 0.000 2.081 973 L HA -0.186 4.160 4.340 0.009 0.000 0.212 973 L C 2.313 179.048 176.870 -0.226 0.000 1.080 973 L CA 2.509 57.119 54.840 -0.385 0.000 0.754 973 L CB -0.334 41.410 42.059 -0.525 0.000 0.893 973 L HN 0.470 nan 8.230 nan 0.000 0.433 974 K N -0.925 119.355 120.400 -0.201 0.000 2.296 974 K HA 0.063 4.389 4.320 0.009 0.000 0.200 974 K C 0.896 177.430 176.600 -0.109 0.000 1.048 974 K CA 0.783 56.990 56.287 -0.133 0.000 0.966 974 K CB 0.068 32.496 32.500 -0.119 0.000 0.754 974 K HN 0.534 nan 8.250 nan 0.000 0.466 975 S N 0.000 115.628 115.700 -0.121 0.000 2.498 975 S HA 0.000 4.476 4.470 0.009 0.000 0.327 975 S CA 0.000 58.144 58.200 -0.093 0.000 1.107 975 S CB 0.000 63.149 63.200 -0.085 0.000 0.593 975 S HN 0.000 nan 8.310 nan 0.000 0.517